data_r5vzqsf
# 
_audit.revision_id     1_0 
_audit.creation_date   2018-06-06 
_audit.update_record   "Initial release" 
# 
_cell.entry_id      5vzq 
_cell.length_a      34.8160 
_cell.length_b      29.3210 
_cell.length_c      63.9230 
_cell.angle_alpha   90.0000 
_cell.angle_beta    105.7440 
_cell.angle_gamma   90.0000 
# 
_diffrn.id                  1 
_diffrn.crystal_id          1 
_diffrn.ambient_temp        ? 
_diffrn.crystal_treatment   ? 
_diffrn.details             ? 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.54178 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   1.783 
_diffrn_reflns.pdbx_d_res_low    61.525 
_diffrn_reflns.limit_h_max       18 
_diffrn_reflns.limit_h_min       -19 
_diffrn_reflns.limit_k_max       16 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       35 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            12128 
_diffrn_reflns.pdbx_number_obs   11648 
# 
_entry.id   5vzq 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               5vzq 
_symmetry.space_group_name_H-M   "P 1 21 1" 
_symmetry.Int_Tables_number      4 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 "X,  Y,  Z"       
2 "-X,  Y+1/2,  -Z" 
# 
loop_
_refln.crystal_id 
_refln.wavelength_id 
_refln.scale_group_code 
_refln.index_h 
_refln.index_k 
_refln.index_l 
_refln.status 
_refln.F_meas_au 
_refln.F_meas_sigma_au 
_refln.intensity_meas 
_refln.intensity_sigma 
_refln.pdbx_I_plus 
_refln.pdbx_I_plus_sigma 
_refln.pdbx_I_minus 
_refln.pdbx_I_minus_sigma 
_refln.pdbx_F_plus 
_refln.pdbx_F_plus_sigma 
_refln.pdbx_F_minus 
_refln.pdbx_F_minus_sigma 
_refln.pdbx_anom_difference 
_refln.pdbx_anom_difference_sigma 
1 1 1 -19 0  2  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -19 0  3  o 21.44077 0.6705673 236.3000   14.70000 236.3000  14.70000 236.3000   14.70000 21.44077 0.6705673 21.44077 0.6705673 0.000000       0.000000  
1 1 1 -19 0  4  o 34.64569 0.6399005 615.8000   22.70000 615.8000  22.70000 615.8000   22.70000 34.64569 0.6399005 34.64569 0.6399005 -0.000000      0.000000  
1 1 1 -19 0  5  o 59.34657 1.128976  1808.100   68.60000 1808.100  68.60000 1808.100   68.60000 59.34657 1.128976  59.34657 1.128976  -0.000000      0.000000  
1 1 1 -19 0  6  o 27.27955 0.8569086 382.6000   23.90000 382.6000  23.90000 382.6000   23.90000 27.27955 0.8569086 27.27955 0.8569086 0.000000       0.000000  
1 1 1 -19 0  7  o 91.48170 1.596973  4299.200   149.6000 4299.200  149.6000 4299.200   149.6000 91.48170 1.596973  91.48170 1.596973  0.000000       0.000000  
1 1 1 -19 0  8  o 5.572795 2.625929  23.40000   16.90000 23.40000  16.90000 23.40000   16.90000 5.572795 2.625929  5.572795 2.625929  -0.000000      0.000000  
1 1 1 -19 0  9  o 9.608332 1.744680  51.80000   15.50000 51.80000  15.50000 51.80000   15.50000 9.608332 1.744680  9.608332 1.744680  -0.000000      0.000000  
1 1 1 -19 0  10 o 31.92589 0.9710215 524.0000   31.70000 524.0000  31.70000 524.0000   31.70000 31.92589 0.9710215 31.92589 0.9710215 -0.000000      0.000000  
1 1 1 -19 0  11 o 14.38809 1.100402  108.0000   16.00000 108.0000  16.00000 108.0000   16.00000 14.38809 1.100402  14.38809 1.100402  -0.000000      0.000000  
1 1 1 -19 0  12 o 20.12297 0.8914772 208.8000   18.30000 208.8000  18.30000 208.8000   18.30000 20.12297 0.8914772 20.12297 0.8914772 0.000000       0.000000  
1 1 1 -19 0  13 o 40.08958 0.6747259 824.4000   27.70000 824.4000  27.70000 824.4000   27.70000 40.08958 0.6747259 40.08958 0.6747259 0.000000       0.000000  
1 1 1 -19 0  14 o 11.20603 1.230855  66.70000   13.70000 66.70000  13.70000 66.70000   13.70000 11.20603 1.230855  11.20603 1.230855  0.000000       0.000000  
1 1 1 -19 0  15 o 71.27644 0.9464687 2606.000   69.10000 2606.000  69.10000 2606.000   69.10000 71.27644 0.9464687 71.27644 0.9464687 0.000000       0.000000  
1 1 1 -19 0  16 o 12.40704 1.015090  80.50000   12.70000 80.50000  12.70000 80.50000   12.70000 12.40704 1.015090  12.40704 1.015090  -0.000000      0.000000  
1 1 1 -19 0  17 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -19 1  2  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -19 1  3  o 36.52872 0.3314039 683.7675   12.40482 670.0000  23.40000 699.3000   26.40000 36.15129 0.6316749 36.93089 0.6976148 -0.7796021     0.9411056 
1 1 1 -19 1  4  o 41.29900 0.3217744 874.0037   13.61725 899.6000  27.90000 849.6000   26.60000 41.88959 0.6499796 40.70930 0.6376607 1.180286       0.9105408 
1 1 1 -19 1  5  o 78.64512 0.7010223 3171.164   56.49395 3004.600  108.3000 3352.800   118.1000 76.47394 1.382027  80.77646 1.426812  -4.302521      1.986402  
1 1 1 -19 1  6  o 45.60579 0.4868948 1065.990   22.75378 1140.200  43.10000 983.0000   48.20000 47.14797 0.8921049 43.76626 1.074754  3.381706       1.396763  
1 1 1 -19 1  7  o 40.61086 0.4594031 845.2392   19.11765 814.7000  37.50000 877.0000   39.00000 39.85300 0.9182732 41.34859 0.9204612 -1.495594      1.300182  
1 1 1 -19 1  8  o 72.12026 0.6475665 2666.445   47.85640 2490.800  90.00000 2865.900   102.2000 69.64857 1.261049  74.69922 1.335170  -5.050652      1.836552  
1 1 1 -19 1  9  o 79.08311 0.5837797 3205.811   47.30761 3403.000  84.80000 2957.000   107.0000 81.44055 1.016148  75.87180 1.376274  5.568756       1.710756  
1 1 1 -19 1  10 o 12.10233 0.6430916 75.29639   7.946547 59.60000  13.10000 99.50000   20.20000 10.70633 1.215568  13.84131 1.445499  -3.134973      1.888670  
1 1 1 -19 1  11 o 38.08405 0.3545096 743.2409   13.83469 764.1000  24.20000 715.4000   32.30000 38.60817 0.6116990 37.34888 0.8439690 1.259281       1.042334  
1 1 1 -19 1  12 o 27.78768 0.3776931 395.6938   10.75449 419.8000  18.10000 360.4000   26.50000 28.61685 0.6172462 26.48650 0.9780690 2.130352       1.156552  
1 1 1 -19 1  13 o 81.41548 0.6095976 3397.905   50.85675 3279.800  80.20000 3602.600   139.0000 79.95481 0.9788844 83.69826 1.620690  -3.743446      1.893370  
1 1 1 -19 1  14 o 56.73316 0.4544973 1649.576   26.42206 1644.300  45.20000 1657.000   63.60000 56.62594 0.7789770 56.82007 1.092338  -0.1941338     1.341643  
1 1 1 -19 1  15 o 6.416168 1.156614  21.78052   7.324675 29.30000  12.00000 10.00000   18.80000 7.404584 1.626143  5.692809 2.224941  1.711776       2.755849  
1 1 1 -19 1  16 o 17.09586 0.4833164 149.9167   8.458333 118.0000  14.50000 194.6000   20.30000 15.13690 0.9394607 19.44684 1.022296  -4.309945      1.388408  
1 1 1 -19 1  17 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -19 2  3  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -19 2  4  o 64.43125 0.4315608 2127.567   28.49292 1967.500  53.70000 2308.500   60.70000 61.93544 0.8461293 67.08508 0.8830075 -5.149639      1.222962  
1 1 1 -19 2  5  o 65.10666 0.6261404 2173.062   41.77298 2155.600  80.70000 2191.800   86.60000 64.79237 1.215490  65.32465 1.293726  -0.5322723     1.775146  
1 1 1 -19 2  6  o 31.30518 0.4150398 502.2386   13.31387 431.8000  22.80000 601.1000   32.00000 29.00804 0.7677151 34.21923 0.9134189 -5.211191      1.193198  
1 1 1 -19 2  7  f 136.5565 0.9304641 9566.134   130.1998 9488.200  219.0000 9680.400   321.1000 135.8412 1.573309  136.9380 2.288327  -1.096741      2.777002  
1 1 1 -19 2  8  o 148.4000 0.9962476 11299.36   151.4955 11257.10  257.6000 11359.70   367.8000 147.9217 1.699478  148.2801 2.420641  -0.3584290     2.957656  
1 1 1 -19 2  9  o 14.53393 0.5000610 108.3934   7.436304 115.7000  13.10000 98.80000   17.20000 14.99518 0.8561105 13.81765 1.227538  1.177526       1.496587  
1 1 1 -19 2  10 o 92.64026 0.6752027 4399.978   64.09620 4412.100  107.8000 4382.200   158.1000 92.71279 1.134699  92.29906 1.671615  0.4137268      2.020356  
1 1 1 -19 2  11 o 49.91082 0.4190505 1276.637   21.43184 1235.900  35.80000 1337.400   53.40000 49.09638 0.7115988 51.05303 1.020755  -1.956646      1.244312  
1 1 1 -19 2  12 o 78.65090 0.5766537 3170.922   46.47476 3176.900  78.70000 3162.300   113.5000 78.68958 0.9760209 78.44934 1.411914  0.2402420      1.716426  
1 1 1 -19 2  13 o 45.87446 0.4000275 1078.481   18.80439 1058.600  32.10000 1106.600   45.40000 45.43911 0.6894088 46.44301 0.9539753 -1.003899      1.177010  
1 1 1 -19 2  14 o 10.56765 0.6603189 57.47733   7.114667 69.00000  11.60000 39.20000   18.40000 11.55433 0.9892583 8.550752 2.112470  3.003583       2.332630  
1 1 1 -19 2  15 o 50.09764 0.4255998 1286.241   21.84828 1237.500  35.20000 1366.000   57.60000 49.12778 0.6992254 51.58813 1.089618  -2.460346      1.294675  
1 1 1 -19 2  16 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -19 3  5  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -19 3  6  o 50.25979 0.5154939 1294.751   26.54866 1192.300  46.60000 1430.400   61.70000 48.20731 0.9433538 52.78522 1.140708  -4.577911      1.480247  
1 1 1 -19 3  7  o 48.94524 0.4245320 1227.745   21.29214 1325.400  36.30000 1089.200   51.50000 50.84276 0.6967535 46.06564 1.091018  4.777122       1.294521  
1 1 1 -19 3  8  o 40.66299 0.4259590 847.3958   17.74866 819.7000  29.10000 890.7000   45.50000 39.98321 0.7102594 41.64532 1.067099  -1.662109      1.281862  
1 1 1 -19 3  9  o 100.0525 0.7325493 5133.053   75.10400 5219.200  125.2000 5003.900   187.7000 100.8177 1.211906  98.56921 1.858338  2.248535       2.218589  
1 1 1 -19 3  10 o 71.16241 0.5429364 2595.751   39.59114 2585.600  68.40000 2609.700   94.00000 70.99155 0.9402667 71.28014 1.286948  -0.2885818     1.593843  
1 1 1 -19 3  11 o 90.32044 0.6419571 4182.267   59.41422 4038.200  98.00000 4404.100   150.9000 88.70074 1.078203  92.53629 1.591398  -3.835541      1.922256  
1 1 1 -19 3  12 o 18.29530 0.4336463 171.5426   8.129683 163.9000  13.00000 184.3000   21.70000 17.86464 0.7115747 18.91466 1.124678  -1.050022      1.330879  
1 1 1 -19 3  13 o 25.32483 0.3837678 328.6700   9.958949 368.0000  16.30000 266.9000   25.60000 26.79304 0.5937003 22.77629 1.100132  4.016741       1.250108  
1 1 1 -19 3  14 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -18 0  1  o 86.30762 1.080212  3820.800   95.50000 3820.800  95.50000 3820.800   95.50000 86.30762 1.080212  86.30762 1.080212  0.000000       0.000000  
1 1 1 -18 0  2  f 92.23070 1.135728  4363.300   107.3000 4363.300  107.3000 4363.300   107.3000 92.23070 1.135728  92.23070 1.135728  0.000000       0.000000  
1 1 1 -18 0  3  o 57.77923 0.8009331 1712.000   47.40000 1712.000  47.40000 1712.000   47.40000 57.77923 0.8009331 57.77923 0.8009331 0.000000       0.000000  
1 1 1 -18 0  4  o 49.58638 1.083603  1262.300   55.00000 1262.300  55.00000 1262.300   55.00000 49.58638 1.083603  49.58638 1.083603  0.000000       0.000000  
1 1 1 -18 0  5  o 46.40929 0.9830002 1105.500   46.70000 1105.500  46.70000 1105.500   46.70000 46.40929 0.9830002 46.40929 0.9830002 -0.000000      0.000000  
1 1 1 -18 0  6  o 59.13867 0.8766772 1793.700   53.10000 1793.700  53.10000 1793.700   53.10000 59.13867 0.8766772 59.13867 0.8766772 0.000000       0.000000  
1 1 1 -18 0  7  o 36.94974 0.6131234 700.2000   23.20000 700.2000  23.20000 700.2000   23.20000 36.94974 0.6131234 36.94974 0.6131234 0.000000       0.000000  
1 1 1 -18 0  8  o 52.62298 0.8071343 1420.200   43.50000 1420.200  43.50000 1420.200   43.50000 52.62298 0.8071343 52.62298 0.8071343 -0.000000      0.000000  
1 1 1 -18 0  9  f 62.94335 0.8453271 2031.600   54.50000 2031.600  54.50000 2031.600   54.50000 62.94335 0.8453271 62.94335 0.8453271 -0.000000      0.000000  
1 1 1 -18 0  10 o 31.38164 0.6880020 505.4000   22.10000 505.4000  22.10000 505.4000   22.10000 31.38164 0.6880020 31.38164 0.6880020 0.000000       0.000000  
1 1 1 -18 0  11 o 121.0957 1.406696  7522.900   174.5000 7522.900  174.5000 7522.900   174.5000 121.0957 1.406696  121.0957 1.406696  0.000000       0.000000  
1 1 1 -18 0  12 o 124.5076 1.518732  7954.500   193.7000 7954.500  193.7000 7954.500   193.7000 124.5076 1.518732  124.5076 1.518732  0.000000       0.000000  
1 1 1 -18 0  13 o 40.80107 1.586456  857.8000   66.10000 857.8000  66.10000 857.8000   66.10000 40.80107 1.586456  40.80107 1.586456  -0.000000      0.000000  
1 1 1 -18 0  14 f 61.62476 0.8697887 1947.600   54.90000 1947.600  54.90000 1947.600   54.90000 61.62476 0.8697887 61.62476 0.8697887 0.000000       0.000000  
1 1 1 -18 0  15 o 50.08783 0.7739157 1286.700   39.70000 1286.700  39.70000 1286.700   39.70000 50.08783 0.7739157 50.08783 0.7739157 0.000000       0.000000  
1 1 1 -18 0  16 o 97.42570 1.198415  4869.100   119.6000 4869.100  119.6000 4869.100   119.6000 97.42570 1.198415  97.42570 1.198415  -0.000000      0.000000  
1 1 1 -18 0  17 o 48.34615 0.7816399 1198.900   38.70000 1198.900  38.70000 1198.900   38.70000 48.34615 0.7816399 48.34615 0.7816399 0.000000       0.000000  
1 1 1 -18 0  18 o 73.10793 1.014938  2741.700   76.00000 2741.700  76.00000 2741.700   76.00000 73.10793 1.014938  73.10793 1.014938  0.000000       0.000000  
1 1 1 -18 0  19 o 29.62708 0.6925775 450.6000   21.00000 450.6000  21.00000 450.6000   21.00000 29.62708 0.6925775 29.62708 0.6925775 0.000000       0.000000  
1 1 1 -18 0  20 o 7.482508 2.741811  38.40000   19.40000 38.40000  19.40000 38.40000   19.40000 7.482508 2.741811  7.482508 2.741811  0.000000       0.000000  
1 1 1 -18 0  21 o 28.76156 0.6862770 424.7000   20.20000 424.7000  20.20000 424.7000   20.20000 28.76156 0.6862770 28.76156 0.6862770 0.000000       0.000000  
1 1 1 -18 0  22 o 38.39192 0.6970040 756.2000   27.40000 756.2000  27.40000 756.2000   27.40000 38.39192 0.6970040 38.39192 0.6970040 -0.000000      0.000000  
1 1 1 -18 1  1  o 61.60321 0.4177760 1944.740   26.37213 1979.600  53.30000 1910.600   52.20000 62.13422 0.8371398 61.04190 0.8345340 1.092312       1.182053  
1 1 1 -18 1  2  o 106.8574 0.6488481 5852.964   71.04706 6089.700  149.0000 5637.200   135.8000 108.9168 1.335036  104.8025 1.264532  4.114296       1.838848  
1 1 1 -18 1  3  o 34.97308 0.3167144 626.7310   11.35011 616.3000  21.00000 639.0000   24.70000 34.67634 0.5910002 35.30704 0.6827115 -0.6307030     0.9029818 
1 1 1 -18 1  4  o 41.93517 0.4882320 901.2144   20.97988 940.8000  40.70000 859.1000   43.30000 42.83303 0.9272936 40.91372 1.033638  1.919308       1.388626  
1 1 1 -18 1  5  o 110.1043 0.9251713 6216.328   104.3818 6249.000  204.6000 6182.300   213.1000 110.2649 1.810798  109.6582 1.896462  0.6067352      2.622128  
1 1 1 -18 1  6  o 43.88375 0.4152043 986.8376   18.67084 1077.600  33.30000 871.0000   42.50000 45.85036 0.7087663 41.21162 1.006401  4.638744       1.230931  
1 1 1 -18 1  7  o 38.43513 0.3905412 756.9819   15.38132 760.4000  24.80000 751.4000   40.50000 38.51755 0.6283399 38.26323 1.033887  0.2543182      1.209849  
1 1 1 -18 1  8  o 22.73995 0.3865616 264.9755   9.007547 251.9000  15.40000 283.4000   21.70000 22.15829 0.6790454 23.49290 0.9030967 -1.334608      1.129905  
1 1 1 -18 1  9  o 78.41194 0.4951388 3150.853   39.78392 3198.900  81.20000 3104.700   78.00000 78.98060 1.003315  77.81074 0.9782655 1.169861       1.401301  
1 1 1 -18 1  10 o 56.99451 0.3971252 1664.547   23.19310 1596.000  45.60000 1735.500   47.20000 55.79661 0.7975513 58.18426 0.7916589 -2.387650      1.123749  
1 1 1 -18 1  11 o 65.31860 0.4403706 2186.348   29.47498 2183.300  58.90000 2189.400   59.00000 65.25565 0.8808436 65.34673 0.8811093 -0.9107971E-01 1.245889  
1 1 1 -18 1  12 o 50.00124 0.3908295 1281.127   20.02472 1328.200  39.90000 1233.700   40.20000 50.90123 0.7649734 49.05577 0.7997192 1.845451       1.106677  
1 1 1 -18 1  13 o 85.10722 0.5323374 3712.107   46.42498 3790.800  92.90000 3633.500   92.80000 85.97008 1.054557  84.16565 1.076006  1.804428       1.506612  
1 1 1 -18 1  14 o 31.84624 0.3198927 519.6719   10.43905 602.7000  22.60000 448.4000   19.40000 34.29069 0.6431820 29.57735 0.6400945 4.713339       0.9074162 
1 1 1 -18 1  15 o 20.57948 0.3568363 217.0176   7.524917 196.6000  15.10000 237.3000   15.00000 19.56844 0.7544611 21.50509 0.6815540 -1.936655      1.016724  
1 1 1 -18 1  16 o 51.73392 0.3976293 1371.496   21.07910 1345.800  39.50000 1400.900   45.20000 51.23553 0.7523632 52.26966 0.8438988 -1.034130      1.130582  
1 1 1 -18 1  17 o 18.62808 0.4120541 177.8238   7.865396 161.9000  15.20000 194.9000   16.30000 17.74926 0.8380952 19.47920 0.8184399 -1.729942      1.171430  
1 1 1 -18 1  18 o 30.68023 0.3165455 482.3245   9.951605 589.7000  22.90000 399.8000   17.60000 33.91680 0.6589042 27.92773 0.6150050 5.989067       0.9013245 
1 1 1 -18 1  19 f 33.31821 0.3535380 568.8570   12.07025 586.7000  25.40000 552.7000   23.00000 33.82755 0.7327650 32.83425 0.6836004 0.9933014      1.002125  
1 1 1 -18 1  20 o 44.54188 0.3524696 1016.671   16.08750 1152.900  35.10000 901.4000   29.70000 47.41920 0.7223613 41.93054 0.6912380 5.488659       0.9998079 
1 1 1 -18 1  21 o 16.13345 0.4404624 133.4966   7.274914 147.0000  14.50000 119.9000   14.60000 16.90895 0.8394852 15.25909 0.9382774 1.649869       1.259007  
1 1 1 -18 1  22 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -18 2  1  o 107.5827 0.6509381 5933.017   71.75967 5597.600  133.4000 6323.500   155.3000 104.4261 1.246661  110.9699 1.365739  -6.543839      1.849164  
1 1 1 -18 2  2  f 36.95409 0.3303822 699.7573   12.51058 736.1000  25.90000 665.8000   24.20000 37.89431 0.6670024 36.03971 0.6552933 1.854599       0.9350409 
1 1 1 -18 2  3  o 33.76587 0.3125791 584.2123   10.81524 662.7000  22.30000 510.3000   21.00000 35.95734 0.6052279 31.55212 0.6495197 4.405212       0.8877931 
1 1 1 -18 2  4  o 103.7649 0.8973936 5521.253   95.41838 5455.300  186.3000 5590.500   195.6000 103.0183 1.764818  104.2741 1.830602  -1.255814      2.542772  
1 1 1 -18 2  5  o 43.65587 0.4656989 976.6742   20.83274 1002.800  40.50000 949.0000   42.90000 44.22280 0.8937384 43.01693 0.9732391 1.205872       1.321349  
1 1 1 -18 2  6  o 113.8247 0.7969725 6642.237   92.95615 6568.900  156.1000 6750.200   229.8000 113.1286 1.346580  114.5649 1.957492  -1.436264      2.375932  
1 1 1 -18 2  7  f 107.0393 0.7473218 5873.425   81.96896 5526.800  133.8000 6421.600   211.6000 103.7811 1.258171  111.7678 1.847569  -7.986732      2.235286  
1 1 1 -18 2  8  o 20.53328 0.4097348 216.0506   8.621038 203.1000  13.90000 237.2000   22.70000 19.89381 0.6828774 21.48071 1.034325  -1.586897      1.239415  
1 1 1 -18 2  9  o 34.30821 0.3512450 603.1370   12.34828 749.6000  23.60000 442.4000   25.90000 38.24327 0.6022248 29.36176 0.8617661 8.881506       1.051340  
1 1 1 -18 2  10 o 90.77248 0.6645253 4223.394   61.81076 4261.500  103.8000 4167.300   152.8000 91.14622 1.111374  90.06791 1.655598  1.078308       1.994030  
1 1 1 -18 2  11 o 69.60596 0.5243531 2483.007   37.39975 2354.700  62.20000 2676.500   93.80000 67.76624 0.8957331 72.22021 1.267494  -4.453972      1.552056  
1 1 1 -18 2  12 o 55.39673 0.4594877 1572.635   26.08293 1570.700  43.70000 1575.500   64.70000 55.35210 0.7704580 55.41719 1.139361  -0.6509399E-01 1.375409  
1 1 1 -18 2  13 o 79.46011 0.6022218 3236.148   49.03476 3296.900  87.90000 3159.500   110.9000 80.17031 1.069983  78.45147 1.379533  1.718842       1.745845  
1 1 1 -18 2  14 o 54.97087 0.4064928 1548.495   22.89728 1533.500  43.70000 1565.000   48.10000 54.69121 0.7797683 55.24672 0.8496501 -0.5555153     1.153232  
1 1 1 -18 2  15 o 64.74905 0.4639425 2148.515   30.78193 1953.700  56.80000 2379.000   67.20000 61.72363 0.8980458 68.10686 0.9628975 -6.383228      1.316684  
1 1 1 -18 2  16 o 44.20995 0.3474417 1001.542   15.73984 993.8000  32.30000 1008.900   30.70000 44.02877 0.7159250 44.36346 0.6753278 -0.3346825     0.9841831 
1 1 1 -18 2  17 o 50.32906 0.3814873 1298.027   19.67421 1356.900  39.10000 1238.400   39.60000 51.44500 0.7417119 49.14524 0.7863489 2.299751       1.080963  
1 1 1 -18 2  18 o 93.90597 0.5705377 4519.997   54.90046 4686.500  113.2000 4363.200   106.6000 95.55734 1.156070  92.20621 1.128233  3.351128       1.615365  
1 1 1 -18 2  19 o 94.84938 0.5838885 4611.475   56.74960 4620.800  113.2000 4602.100   113.8000 94.87945 1.164330  94.68598 1.172893  0.1934662      1.652677  
1 1 1 -18 2  20 o 55.48310 0.4080570 1577.592   23.19957 1628.800  49.20000 1531.900   43.90000 56.35354 0.8520116 54.65598 0.7838420 1.697567       1.157727  
1 1 1 -18 2  21 o 25.37664 0.3169450 329.9913   8.241693 284.1000  15.50000 382.1000   17.60000 23.53172 0.6434095 27.30074 0.6291292 -3.769024      0.8998774 
1 1 1 -18 3  1  o 12.92046 0.3960890 85.62907   5.237885 81.80000  8.200000 92.40000   14.50000 12.61614 0.6363462 13.37702 1.066644  -0.7608795     1.242041  
1 1 1 -18 3  2  o 66.21188 0.4270989 2246.671   28.97762 2266.100  55.20000 2225.200   61.00000 66.47785 0.8103334 65.86860 0.9037598 0.6092529      1.213846  
1 1 1 -18 3  3  o 12.35594 0.4655502 78.35162   5.883871 75.10000  9.600000 83.50000   15.20000 12.07749 0.7798734 12.70098 1.181454  -0.6234913     1.415640  
1 1 1 -18 3  4  o 64.06136 0.4975276 2103.216   32.65966 2103.600  53.00000 2102.600   85.10000 64.05236 0.8074997 63.99932 1.297645  0.5303574E-01  1.528378  
1 1 1 -18 3  5  f 87.44569 0.7701849 3920.413   69.01315 3919.000  130.4000 3922.000   146.6000 87.35573 1.456759  87.36202 1.637619  -0.6294250E-02 2.191790  
1 1 1 -18 3  6  o 42.19368 0.3963422 912.2994   17.13626 897.4000  27.60000 936.7000   45.20000 41.84186 0.6437240 42.73312 1.032228  -0.8912544     1.216501  
1 1 1 -18 3  7  o 105.9674 0.7498332 5756.706   81.42080 5750.700  136.4000 5765.600   202.0000 105.8545 1.257496  105.8851 1.861737  -0.3057861E-01 2.246633  
1 1 1 -18 3  8  o 42.48649 0.3988211 925.0030   17.36310 910.9000  27.40000 949.4000   47.40000 42.15593 0.6342983 43.02044 1.075239  -0.8645058     1.248389  
1 1 1 -18 3  9  o 32.93240 0.3674284 555.7468   12.39922 548.8000  20.80000 566.0000   30.70000 32.72161 0.6203407 33.21064 0.9029548 -0.4890289     1.095514  
1 1 1 -18 3  10 o 58.45261 0.5074947 1751.035   30.39721 1877.300  57.10000 1607.300   65.00000 60.50446 0.9209803 55.97172 1.133304  4.532734       1.460336  
1 1 1 -18 3  11 o 55.56352 1.088939  0.000000   0.000000 ?         ?        1583.800   62.00000 ?        ?         55.56352 1.088939  0.000000       1.088939  
1 1 1 -18 3  12 o 63.96046 0.5173478 2096.615   33.90725 2288.300  62.30000 1867.700   74.40000 66.79988 0.9101521 60.32894 1.203508  6.470940       1.508909  
1 1 1 -18 3  13 o 44.95225 0.3933182 1035.491   18.11732 1022.300  31.10000 1053.900   43.40000 44.65732 0.6796250 45.33183 0.9343039 -0.6745071     1.155342  
1 1 1 -18 3  14 o 47.99444 0.4112004 1180.416   20.22287 1060.300  32.70000 1375.100   53.00000 45.47854 0.7016860 51.77647 0.9989530 -6.297924      1.220766  
1 1 1 -18 3  15 o 13.88143 0.5560948 98.92244   7.894082 86.10000  14.00000 115.5000   18.10000 12.91056 1.067781  14.95443 1.190997  -2.043872      1.599572  
1 1 1 -18 3  16 o 44.29628 0.4037939 1005.525   18.32844 1137.100  34.90000 860.0000   38.60000 47.09462 0.7231957 40.94796 0.9199340 6.146660       1.170167  
1 1 1 -18 3  17 o 41.55764 0.4024980 885.0417   17.14009 895.5000  29.30000 870.3000   41.30000 41.79396 0.6841570 41.18832 0.9785378 0.6056404      1.193988  
1 1 1 -18 3  18 o 33.59680 0.3944554 578.4396   13.57982 610.3000  22.70000 531.0000   33.80000 34.50350 0.6420434 32.15322 1.027192  2.350277       1.211339  
1 1 1 -18 3  19 o 24.59880 0.4187712 310.1044   10.55575 299.4000  16.80000 328.2000   28.40000 24.15592 0.6793897 25.26341 1.099688  -1.107492      1.292627  
1 1 1 -18 3  20 o 52.04217 0.5305194 1388.242   28.29144 1313.700  54.70000 1468.100   58.60000 50.59364 1.055099  53.48299 1.069260  -2.889351      1.502182  
1 1 1 -18 4  1  o 18.68827 0.8534302 0.000000   0.000000 ?         ?        179.5000   16.30000 ?        ?         18.68827 0.8534302 0.000000       0.8534302 
1 1 1 -18 4  2  o 55.28016 0.8050025 0.000000   0.000000 ?         ?        1567.100   45.60000 ?        ?         55.28016 0.8050025 0.000000       0.8050025 
1 1 1 -18 4  3  o 36.63249 0.3544278 687.6612   13.30432 628.2000  25.60000 752.0000   27.70000 35.00388 0.7137159 38.29829 0.7058330 -3.294411      1.003788  
1 1 1 -18 4  4  o 121.1394 0.9984553 7528.377   123.9402 7810.600  245.7000 7241.100   250.1000 123.1661 1.946775  118.5565 2.058686  4.609589       2.833394  
1 1 1 -18 4  5  o 52.40656 0.4014095 1407.434   21.55618 1341.200  33.90000 1523.100   59.20000 51.15026 0.6467753 54.48438 1.060355  -3.334114      1.242043  
1 1 1 -18 4  6  f 57.36481 0.4663979 1686.460   27.41578 1674.900  45.80000 1703.700   68.30000 57.15398 0.7820250 57.61746 1.156827  -0.4634819     1.396356  
1 1 1 -18 4  7  o 46.52845 0.3812343 1109.384   18.17644 1042.100  29.80000 1214.600   46.60000 45.08801 0.6449956 48.66343 0.9345118 -3.575420      1.135487  
1 1 1 -18 4  8  o 44.51595 0.3734941 1015.482   17.03718 1050.800  29.10000 965.6000   41.10000 45.27657 0.6272218 43.39025 0.9243814 1.886314       1.117089  
1 1 1 -18 4  9  o 75.74327 0.5592706 2940.483   43.40746 3117.600  78.50000 2721.400   97.10000 77.96069 0.9826426 72.80698 1.301511  5.153709       1.630803  
1 1 1 -18 4  10 o 44.29831 0.4184377 1005.620   18.99400 982.3000  29.30000 1048.600   54.00000 43.77505 0.6531945 45.18787 1.167178  -1.412819      1.337523  
1 1 1 -18 4  11 o 22.99402 0.4214810 270.9518   9.930964 293.2000  15.30000 229.8000   28.30000 23.90818 0.6250564 21.11550 1.314455  2.792679       1.455503  
1 1 1 -18 4  12 o 20.18370 0.3956072 208.7633   8.182073 206.7000  12.70000 212.5000   23.00000 20.07139 0.6182241 20.31993 1.108808  -0.2485332     1.269510  
1 1 1 -18 4  13 o 16.69589 0.4599006 142.9662   7.860641 113.8000  12.20000 195.8000   22.10000 14.87573 0.8033363 19.50217 1.110477  -4.626439      1.370587  
1 1 1 -18 4  14 o 39.33178 0.3911852 792.7619   15.76611 790.1000  26.70000 796.6000   38.50000 39.25830 0.6637147 39.40735 0.9534218 -0.1490555     1.161693  
1 1 1 -18 4  15 o 79.69602 0.5838757 3255.688   47.68210 3087.300  80.20000 3502.600   117.6000 77.57205 1.008952  82.57381 1.389846  -5.001762      1.717456  
1 1 1 -18 4  16 o 78.25236 0.5896665 3138.882   47.28270 3127.800  80.20000 3154.800   115.2000 78.07815 1.002412  78.35663 1.434757  -0.2784805     1.750245  
1 1 1 -18 4  17 o 95.55892 0.7087517 4681.987   69.40068 4394.900  112.1000 5148.600   182.2000 92.52222 1.182391  100.0132 1.777840  -7.490997      2.135126  
1 1 1 -18 4  18 o 66.51143 0.6146631 2267.829   41.89207 2267.100  81.50000 2268.600   86.20000 66.44750 1.196963  66.46094 1.265734  -0.1343536E-01 1.742068  
1 1 1 -18 4  19 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -18 5  1  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -18 5  2  o 57.84190 0.8537084 0.000000   0.000000 ?         ?        1716.100   50.60000 ?        ?         57.84190 0.8537084 0.000000       0.8537084 
1 1 1 -18 5  3  o 67.02512 0.9012696 0.000000   0.000000 ?         ?        2304.500   61.90000 ?        ?         67.02512 0.9012696 0.000000       0.9012696 
1 1 1 -18 5  4  o 49.29987 1.027361  0.000000   0.000000 ?         ?        1247.200   51.90000 ?        ?         49.29987 1.027361  0.000000       1.027361  
1 1 1 -18 5  5  o 56.30077 1.105880  0.000000   0.000000 ?         ?        1626.900   63.80000 ?        ?         56.30077 1.105880  0.000000       1.105880  
1 1 1 -18 5  6  o 24.51164 0.9013178 0.000000   0.000000 ?         ?        308.6000   22.60000 ?        ?         24.51164 0.9013178 0.000000       0.9013178 
1 1 1 -18 5  7  o 10.33064 0.5730563 54.87245   6.042517 47.50000  8.500000 73.00000   20.90000 9.583714 0.8751873 11.77885 1.787668  -2.195135      1.990404  
1 1 1 -18 5  8  o 84.27682 0.6128961 3640.920   52.92897 3754.400  91.80000 3486.400   125.0000 85.53731 1.047343  82.36526 1.481043  3.172050       1.813950  
1 1 1 -18 5  9  o 49.59311 0.4112675 1260.413   20.89989 1208.400  32.90000 1351.000   57.30000 48.55004 0.6613144 51.30814 1.089858  -2.758099      1.274805  
1 1 1 -18 5  10 o 104.2309 0.7382802 5570.449   78.85258 5607.900  134.0000 5516.900   191.6000 104.5066 1.251304  103.5334 1.805995  0.9731522      2.197130  
1 1 1 -18 5  11 o 53.04244 0.4396564 1441.893   23.89655 1432.600  38.50000 1457.100   63.00000 52.85967 0.7107844 53.27890 1.153950  -0.4192314     1.355291  
1 1 1 -18 5  12 o 74.52589 0.5561891 2846.909   42.47447 2901.200  73.30000 2772.100   101.0000 75.20135 0.9512179 73.46247 1.341706  1.738876       1.644686  
1 1 1 -18 5  13 o 29.07672 0.3521390 433.2487   10.49199 408.1000  17.50000 470.9000   26.20000 28.21524 0.6052793 30.28916 0.8449680 -2.073914      1.039391  
1 1 1 -18 5  14 o 68.61813 0.5304176 2413.394   37.29540 2358.000  61.40000 2499.100   95.00000 67.80087 0.8837608 69.74886 1.329193  -1.947983      1.596179  
1 1 1 -18 5  15 o 44.22340 0.4598849 1002.335   20.84009 1012.800  37.70000 989.4000   46.60000 44.43759 0.8279279 43.90827 1.035717  0.5293198      1.325962  
1 1 1 -18 5  16 o 25.31511 0.4504015 328.4473   11.68364 284.5000  18.90000 399.6000   30.60000 23.54007 0.7846264 27.88167 1.073040  -4.341595      1.329305  
1 1 1 -18 5  17 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -18 6  5  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -18 6  6  o 50.78461 1.087642  0.000000   0.000000 ?         ?        1323.900   56.60000 ?        ?         50.78461 1.087642  0.000000       1.087642  
1 1 1 -18 6  7  o 88.62025 1.585737  0.000000   0.000000 ?         ?        4039.900   144.0000 ?        ?         88.62025 1.585737  0.000000       1.585737  
1 1 1 -18 6  8  o 45.07471 0.9959247 0.000000   0.000000 ?         ?        1042.600   46.00000 ?        ?         45.07471 0.9959247 0.000000       0.9959247 
1 1 1 -18 6  9  o 65.49628 1.177096  0.000000   0.000000 ?         ?        2202.700   79.00000 ?        ?         65.49628 1.177096  0.000000       1.177096  
1 1 1 -18 6  10 o 32.67121 0.9748551 0.000000   0.000000 ?         ?        548.2000   32.60000 ?        ?         32.67121 0.9748551 0.000000       0.9748551 
1 1 1 -18 6  11 o 52.50600 1.053843  0.000000   0.000000 ?         ?        1415.000   56.70000 ?        ?         52.50600 1.053843  0.000000       1.053843  
1 1 1 -18 6  12 o 50.22131 0.5006233 1292.765   25.76306 1303.000  46.10000 1279.800   58.40000 50.39757 0.8926741 49.92657 1.141518  0.4709969      1.449113  
1 1 1 -18 6  13 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -17 0  1  f 3.545903 2.083524  7.400000   12.80000 7.400000  12.80000 7.400000   12.80000 3.545903 2.083524  3.545903 2.083524  -0.000000      0.000000  
1 1 1 -17 0  2  o 3.161766 1.904456  5.000000   11.20000 5.000000  11.20000 5.000000   11.20000 3.161766 1.904456  3.161766 1.904456  -0.000000      0.000000  
1 1 1 -17 0  3  o 89.90228 1.576157  4148.100   145.1000 4148.100  145.1000 4148.100   145.1000 89.90228 1.576157  89.90228 1.576157  -0.000000      0.000000  
1 1 1 -17 0  4  o 153.8665 2.579209  12164.70   406.4000 12164.70  406.4000 12164.70   406.4000 153.8665 2.579209  153.8665 2.579209  0.000000       0.000000  
1 1 1 -17 0  5  o 99.49268 1.247124  5076.400   127.1000 5076.400  127.1000 5076.400   127.1000 99.49268 1.247124  99.49268 1.247124  0.000000       0.000000  
1 1 1 -17 0  6  o 95.53095 1.173132  4679.800   114.8000 4679.800  114.8000 4679.800   114.8000 95.53095 1.173132  95.53095 1.173132  -0.000000      0.000000  
1 1 1 -17 0  7  o 7.175693 2.011531  31.90000   12.80000 31.90000  12.80000 31.90000   12.80000 7.175693 2.011531  7.175693 2.011531  0.000000       0.000000  
1 1 1 -17 0  8  o 145.0045 1.659454  10785.60   246.5000 10785.60  246.5000 10785.60   246.5000 145.0045 1.659454  145.0045 1.659454  -0.000000      0.000000  
1 1 1 -17 0  9  o 78.28860 1.021301  3142.800   81.90000 3142.800  81.90000 3142.800   81.90000 78.28860 1.021301  78.28860 1.021301  0.000000       0.000000  
1 1 1 -17 0  10 o 42.10168 0.7190343 909.1000   31.00000 909.1000  31.00000 909.1000   31.00000 42.10168 0.7190343 42.10168 0.7190343 0.000000       0.000000  
1 1 1 -17 0  11 o 18.82876 0.8172404 182.7000   15.70000 182.7000  15.70000 182.7000   15.70000 18.82876 0.8172404 18.82876 0.8172404 0.000000       0.000000  
1 1 1 -17 0  12 o 79.11187 1.010656  3209.200   81.90000 3209.200  81.90000 3209.200   81.90000 79.11187 1.010656  79.11187 1.010656  -0.000000      0.000000  
1 1 1 -17 0  13 o 110.2841 1.337510  6237.700   151.1000 6237.700  151.1000 6237.700   151.1000 110.2841 1.337510  110.2841 1.337510  -0.000000      0.000000  
1 1 1 -17 0  14 o 26.38470 0.6630138 357.4000   17.90000 357.4000  17.90000 357.4000   17.90000 26.38470 0.6630138 26.38470 0.6630138 0.000000       0.000000  
1 1 1 -17 0  15 f 89.52694 1.076233  4109.900   98.70000 4109.900  98.70000 4109.900   98.70000 89.52694 1.076233  89.52694 1.076233  -0.000000      0.000000  
1 1 1 -17 0  16 o 19.72695 0.8345001 200.5000   16.80000 200.5000  16.80000 200.5000   16.80000 19.72695 0.8345001 19.72695 0.8345001 -0.000000      0.000000  
1 1 1 -17 0  17 o 46.27521 0.8019199 1098.400   38.00000 1098.400  38.00000 1098.400   38.00000 46.27521 0.8019199 46.27521 0.8019199 -0.000000      0.000000  
1 1 1 -17 0  18 o 114.6181 1.389141  6739.100   163.1000 6739.100  163.1000 6739.100   163.1000 114.6181 1.389141  114.6181 1.389141  0.000000       0.000000  
1 1 1 -17 0  19 o 40.94479 0.7059693 859.9000   29.60000 859.9000  29.60000 859.9000   29.60000 40.94479 0.7059693 40.94479 0.7059693 -0.000000      0.000000  
1 1 1 -17 0  20 o 23.55901 0.7848762 285.4000   18.90000 285.4000  18.90000 285.4000   18.90000 23.55901 0.7848762 23.55901 0.7848762 0.000000       0.000000  
1 1 1 -17 0  21 o 26.53700 0.7589641 361.8000   20.60000 361.8000  20.60000 361.8000   20.60000 26.53700 0.7589641 26.53700 0.7589641 0.000000       0.000000  
1 1 1 -17 0  22 o 11.75594 1.265626  73.30000   14.80000 73.30000  14.80000 73.30000   14.80000 11.75594 1.265626  11.75594 1.265626  -0.000000      0.000000  
1 1 1 -17 0  23 o 36.51099 0.6392581 683.8000   23.90000 683.8000  23.90000 683.8000   23.90000 36.51099 0.6392581 36.51099 0.6392581 0.000000       0.000000  
1 1 1 -17 0  24 f 37.74778 0.7167096 731.1000   27.70000 731.1000  27.70000 731.1000   27.70000 37.74778 0.7167096 37.74778 0.7167096 0.000000       0.000000  
1 1 1 -17 0  25 o 19.10155 0.8675020 188.2000   16.90000 188.2000  16.90000 188.2000   16.90000 19.10155 0.8675020 19.10155 0.8675020 0.000000       0.000000  
1 1 1 -17 1  1  o 99.79364 0.6069657 5103.723   62.06766 5064.900  122.8000 5143.400   125.5000 99.37524 1.205929  100.1409 1.223021  -0.7656708     1.717570  
1 1 1 -17 1  2  o 80.23225 0.5299250 3298.739   43.56741 3152.100  86.00000 3449.300   88.30000 78.40599 1.070412  82.02020 1.050610  -3.614212      1.499854  
1 1 1 -17 1  3  o 18.93142 0.4639246 183.6516   8.999722 192.4000  18.10000 175.0000   17.90000 19.35162 0.9153679 18.45167 0.9499118 0.8999500      1.319178  
1 1 1 -17 1  4  o 83.87720 0.7350263 3605.802   63.17499 3725.500  126.4000 3486.200   126.3000 85.21692 1.447514  82.43104 1.495251  2.785881       2.081123  
1 1 1 -17 1  5  o 28.41505 0.3173495 413.7060   9.240271 428.8000  17.90000 397.6000   19.10000 28.92646 0.6038921 27.85353 0.6691983 1.072933       0.9013945 
1 1 1 -17 1  6  o 11.49252 0.5696391 67.84963   6.687407 41.10000  12.20000 100.3000   14.80000 8.844736 1.392053  13.94819 1.043042  -5.103458      1.739467  
1 1 1 -17 1  7  o 12.05217 0.5755401 74.60564   7.087324 49.80000  13.60000 101.6000   14.80000 9.754306 1.400777  14.03942 1.036059  -4.285118      1.742296  
1 1 1 -17 1  8  o 54.46206 0.3811894 1519.824   21.27322 1621.700  45.70000 1431.100   39.80000 56.24987 0.7928597 52.84239 0.7350252 3.407478       1.081152  
1 1 1 -17 1  9  o 111.0431 0.6753406 6319.271   76.84451 6298.300  152.4000 6340.600   155.0000 110.8152 1.342107  111.1851 1.360463  -0.3698883     1.911050  
1 1 1 -17 1  10 o 90.47308 0.5647877 4194.581   52.36041 3977.400  98.10000 4443.200   112.3000 88.07742 1.086941  93.08652 1.177320  -5.009094      1.602349  
1 1 1 -17 1  11 o 44.78777 0.3437607 1027.822   15.77662 960.7000  29.90000 1102.800   33.40000 43.29631 0.6739410 46.38743 0.7026641 -3.091114      0.9736187 
1 1 1 -17 1  12 o 208.0094 1.193974  22187.63   254.4933 22382.90  516.7000 21998.10   501.5000 208.6429 2.416777  206.8569 2.365934  1.786011       3.382079  
1 1 1 -17 1  13 o 16.80290 0.4256214 144.7653   7.322449 157.5000  15.60000 133.5000   13.80000 17.50714 0.8723308 16.11666 0.8384978 1.390484       1.209975  
1 1 1 -17 1  14 o 176.3004 1.004056  15935.22   181.3883 15408.20  350.8000 16499.50   375.6000 173.1982 1.976596  179.2107 2.045330  -6.012543      2.844346  
1 1 1 -17 1  15 o 126.3600 0.7667057 8183.900   99.27424 8038.900  199.1000 8328.100   198.0000 125.1584 1.552433  127.3945 1.516758  -2.236107      2.170393  
1 1 1 -17 1  16 o 78.84413 0.5127575 3185.583   41.42665 3321.400  89.40000 3068.300   77.20000 80.48107 1.084040  77.36015 0.9738715 3.120926       1.457247  
1 1 1 -17 1  17 o 60.87600 0.4411046 1899.001   27.51605 2022.300  57.70000 1786.600   52.60000 62.80661 0.8965451 59.03426 0.8695274 3.772350       1.248948  
1 1 1 -17 1  18 o 145.4954 0.8599910 10852.53   128.2158 11472.60  265.0000 10271.30   248.4000 149.4559 1.730352  141.4180 1.714149  8.037872       2.435657  
1 1 1 -17 1  19 o 89.80434 0.5779329 4133.272   53.18304 4189.000  108.3000 4079.500   104.5000 90.36555 1.169572  89.17908 1.143549  1.186470       1.635728  
1 1 1 -17 1  20 o 69.74321 0.4603062 2492.664   32.89630 2279.500  60.50000 2746.700   72.10000 66.67551 0.8855042 73.18498 0.9614239 -6.509468      1.307078  
1 1 1 -17 1  21 o 110.0419 0.6885646 6207.376   77.64276 6016.500  156.8000 6394.600   153.8000 108.2472 1.413615  111.6081 1.344813  -3.360992      1.951110  
1 1 1 -17 1  22 o 63.39846 0.4273397 2059.780   27.76197 2159.500  59.30000 1972.000   52.20000 64.89115 0.8918069 62.01456 0.8214449 2.876587       1.212473  
1 1 1 -17 1  23 o 20.70628 0.3678110 219.7099   7.804140 215.6000  14.50000 224.5000   16.90000 20.49544 0.6914082 20.90917 0.7901940 -0.4137268     1.049977  
1 1 1 -17 1  24 o 45.23272 0.3651482 1048.471   16.92467 1032.500  34.00000 1064.300   33.70000 44.87369 0.7394159 45.56031 0.7218465 -0.6866226     1.033343  
1 1 1 -17 1  25 o 72.38933 0.5643818 2686.124   41.86450 2742.400  103.5000 2647.900   70.30000 73.05601 1.382567  71.84029 0.9549683 1.215721       1.680314  
1 1 1 -17 2  1  o 74.06931 0.4663156 2811.355   35.39294 2904.300  71.80000 2721.000   69.80000 75.26543 0.9309589 72.85139 0.9350163 2.414040       1.319447  
1 1 1 -17 2  2  o 62.29075 0.4265232 1988.252   27.22479 2060.200  54.60000 1916.700   54.30000 63.39598 0.8404900 61.14729 0.8666111 2.248692       1.207244  
1 1 1 -17 2  3  o 73.62808 0.5539781 2778.085   41.79597 2772.000  69.70000 2787.200   104.4000 73.53373 0.9250129 73.70876 1.382239  -0.1750259     1.663200  
1 1 1 -17 2  4  o 134.9881 1.148903  9344.024   158.9196 9698.400  316.0000 8985.500   319.7000 137.3574 2.245105  132.1899 2.360185  5.167511       3.257448  
1 1 1 -17 2  5  o 139.2279 0.9521737 9937.364   135.8441 9755.300  227.4000 10207.50   337.4000 137.8729 1.609583  140.9039 2.336811  -3.031052      2.837507  
1 1 1 -17 2  6  o 102.2287 0.7285523 5356.211   76.31886 5421.800  127.6000 5258.600   189.9000 102.8227 1.211053  101.2039 1.831173  1.618813       2.195415  
1 1 1 -17 2  7  o 119.1190 0.7195062 7272.252   87.82414 7399.900  176.2000 7145.400   175.1000 120.1032 1.431703  118.0181 1.447901  2.085091       2.036220  
1 1 1 -17 2  8  o 47.04012 0.3771658 1133.818   18.18022 1249.200  37.60000 1025.800   35.20000 49.36945 0.7432435 44.73719 0.7678485 4.632259       1.068645  
1 1 1 -17 2  9  o 69.20981 0.4640911 2454.489   32.91314 2541.000  67.10000 2371.200   64.60000 70.40492 0.9300818 68.01200 0.9269335 2.392921       1.313110  
1 1 1 -17 2  10 o 61.38917 0.4240209 1931.080   26.67334 1865.400  51.10000 2002.800   55.80000 60.32679 0.8266322 62.50760 0.8711702 -2.180817      1.200941  
1 1 1 -17 2  11 o 59.51330 0.4187687 1814.864   25.53798 2071.400  56.80000 1605.300   46.40000 63.56885 0.8719782 55.96350 0.8091234 7.605354       1.189549  
1 1 1 -17 2  12 o 81.99821 0.5278154 3445.518   44.34910 3497.300  89.10000 3394.200   88.30000 82.59018 1.052812  81.36335 1.059092  1.226830       1.493348  
1 1 1 -17 2  13 o 33.42138 0.3531047 572.3381   12.09278 650.1000  25.50000 502.2000   23.00000 35.61526 0.6987241 31.30262 0.7170489 4.312637       1.001186  
1 1 1 -17 2  14 o 83.50589 0.5492600 3573.487   46.99952 3530.500  94.30000 3616.200   93.70000 82.97578 1.109078  83.97810 1.088868  -1.002312      1.554248  
1 1 1 -17 2  15 o 47.80810 0.3638997 1171.150   17.82713 1100.600  33.90000 1249.400   37.60000 46.33948 0.7139210 49.37198 0.7432055 -3.032497      1.030552  
1 1 1 -17 2  16 f 108.5366 0.6697817 6037.665   74.49171 5913.300  145.9000 6167.400   152.2000 107.3596 1.326221  109.6388 1.354727  -2.279228      1.895824  
1 1 1 -17 2  17 o 128.6249 0.7627845 8480.517   100.5368 8717.800  203.4000 8248.600   198.8000 130.3206 1.523139  126.7640 1.530461  3.556625       2.159227  
1 1 1 -17 2  18 o 27.88173 0.3411801 398.3384   9.747692 400.8000  19.20000 395.8000   19.80000 27.96368 0.6700521 27.77957 0.6961192 0.1841106      0.9662048 
1 1 1 -17 2  19 o 37.27489 0.3900258 711.9752   14.89732 761.6000  29.40000 661.0000   30.20000 38.54456 0.7443649 35.90668 0.8207923 2.637875       1.108052  
1 1 1 -17 2  20 o 55.23965 0.3906914 1563.651   22.11480 1561.200  45.20000 1566.000   43.30000 55.18220 0.7993575 55.26855 0.7645597 -0.8635330E-01 1.106130  
1 1 1 -17 2  21 o 78.87725 0.5384180 3188.717   43.51807 3341.600  90.30000 3046.500   84.00000 80.70434 1.091924  77.06112 1.063765  3.643219       1.524432  
1 1 1 -17 2  22 o 37.43357 0.3358933 718.0466   12.88430 695.9000  26.70000 738.7000   24.90000 36.84277 0.7072299 37.96100 0.6401228 -1.118229      0.9539032 
1 1 1 -17 2  23 f 45.62176 0.3787006 1066.590   17.70380 976.9000  33.30000 1168.400   37.80000 43.64923 0.7445078 47.73474 0.7727853 -4.085510      1.073075  
1 1 1 -17 2  24 o 45.90350 0.4371092 1079.897   20.56052 1100.400  48.30000 1064.700   35.80000 46.30840 1.017862  45.56605 0.7667314 0.7423477      1.274331  
1 1 1 -17 3  1  o 62.30239 0.4216657 1989.031   26.91978 2090.400  53.10000 1884.800   54.60000 63.85756 0.8114911 60.63313 0.8787884 3.224438       1.196155  
1 1 1 -17 3  2  o 29.72739 0.2970536 452.8057   9.048779 412.0000  15.90000 506.7000   21.00000 28.35395 0.5472492 31.44266 0.6517810 -3.088703      0.8510583 
1 1 1 -17 3  3  o 7.238729 0.9134138 27.28969   6.624743 30.90000  10.20000 20.60000   18.90000 7.648081 1.350901  6.649889 2.290046  0.9981923      2.658805  
1 1 1 -17 3  4  o 47.17946 0.4722012 1140.627   22.82855 1319.700  47.10000 972.2000   44.30000 50.73709 0.9059348 43.54518 0.9928080 7.191910       1.344018  
1 1 1 -17 3  5  o 27.95394 0.3832512 400.4044   10.97804 406.7000  18.10000 390.7000   27.90000 28.17043 0.6270277 27.58747 0.9885453 0.5829601      1.170635  
1 1 1 -17 3  6  o 73.27226 0.5531114 2751.301   41.52892 2945.900  75.70000 2514.800   92.00000 75.80267 0.9745699 70.02042 1.282226  5.782242       1.610556  
1 1 1 -17 3  7  o 148.3810 1.015576  11288.22   154.4148 11112.70  263.1000 11537.60   373.8000 147.1235 1.745181  149.7649 2.435739  -2.641464      2.996412  
1 1 1 -17 3  8  o 44.43532 0.4020921 1011.747   18.30848 1081.900  32.70000 922.5000   41.60000 45.94514 0.6945601 42.41959 0.9570364 3.525551       1.182511  
1 1 1 -17 3  9  o 23.33203 0.3950579 278.9450   9.445210 273.6000  14.90000 288.2000   25.80000 23.09697 0.6301427 23.68428 1.065799  -0.5873146     1.238147  
1 1 1 -17 3  10 o 109.6189 0.7790371 6159.090   87.50681 6072.400  147.9000 6284.700   214.3000 108.8025 1.326573  110.6206 1.890548  -1.818138      2.309538  
1 1 1 -17 3  11 o 80.52033 0.5195333 3322.459   42.86643 3463.600  88.20000 3189.000   83.40000 82.18961 1.047257  78.86513 1.032007  3.324486       1.470301  
1 1 1 -17 3  12 o 33.85558 0.3206780 587.3002   11.12494 631.8000  22.20000 542.6000   22.30000 35.11137 0.6170309 32.53776 0.6688347 2.573605       0.9099818 
1 1 1 -17 3  13 o 77.80173 0.4803795 3101.841   38.29765 3037.300  76.00000 3167.400   77.20000 76.96865 0.9636101 78.60009 0.9585083 -1.631439      1.359148  
1 1 1 -17 3  14 f 57.05589 0.4060977 1668.104   23.74266 1827.100  50.90000 1529.100   44.50000 59.70132 0.8320232 54.61734 0.7951171 5.083984       1.150858  
1 1 1 -17 3  15 o 31.76097 0.3315342 516.8847   10.78998 488.3000  19.10000 554.0000   24.80000 30.86715 0.6038630 32.87590 0.7361657 -2.008751      0.9521505 
1 1 1 -17 3  16 o 68.31075 0.4444870 2391.213   31.11333 2670.800  67.80000 2154.100   57.50000 72.17448 0.9167432 64.82051 0.8656793 7.353966       1.260880  
1 1 1 -17 3  17 o 61.43819 0.4248275 1934.265   26.74542 1920.300  52.80000 1948.600   54.20000 61.20141 0.8419263 61.64997 0.8579620 -0.4485626     1.202056  
1 1 1 -17 3  18 o 31.90528 0.3625126 521.6143   11.85179 550.8000  24.80000 494.9000   22.70000 32.77906 0.7383408 31.07178 0.7129538 1.707279       1.026377  
1 1 1 -17 3  19 o 32.51077 0.6843987 0.000000   0.000000 ?         ?        541.8000   22.80000 ?        ?         32.51077 0.6843987 0.000000       0.6843987 
1 1 1 -17 3  20 o 99.56128 0.6192212 5080.895   63.17345 5357.800  135.7000 4839.700   118.2000 102.1624 1.296255  97.11224 1.187805  5.050133       1.758169  
1 1 1 -17 3  21 o 47.54644 0.3653194 1158.450   17.79874 1224.300  35.90000 1093.700   35.30000 48.86745 0.7169294 46.18631 0.7458698 2.681137       1.034558  
1 1 1 -17 3  22 o 107.1771 0.6608020 5888.839   72.57243 5548.300  133.3000 6295.800   159.3000 103.9524 1.251404  110.7033 1.404291  -6.750893      1.880969  
1 1 1 -17 3  23 o 63.36531 0.5219719 2057.997   33.89200 2045.100  84.70000 2066.600   56.50000 63.09986 1.309956  63.47523 0.8686519 -0.3753738     1.571795  
1 1 1 -17 3  24 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -17 4  1  o 50.30706 0.6556761 1297.200   33.80000 1297.200  33.80000 ?          ?        50.30706 0.6556761 ?        ?         0.000000       0.6556761 
1 1 1 -17 4  2  f 104.6497 0.6239257 5613.036   66.90668 5611.700  127.9000 5614.500   140.3000 104.5883 1.193408  104.6007 1.308955  -0.1240540E-01 1.771324  
1 1 1 -17 4  3  o 92.10011 0.6453458 4347.542   60.90473 4497.300  103.3000 4132.400   148.4000 93.64317 1.076529  89.70824 1.614370  3.934929       1.940388  
1 1 1 -17 4  4  o 74.80779 0.5306520 2867.887   40.67757 2901.300  69.00000 2819.900   99.10000 75.22630 0.8951196 74.13617 1.304503  1.090126       1.582077  
1 1 1 -17 4  5  o 61.54018 0.4872125 1940.743   30.72385 1917.600  51.30000 1975.300   76.60000 61.16162 0.8185402 62.05568 1.204617  -0.8940582     1.456403  
1 1 1 -17 4  6  o 133.4387 0.8989308 9128.620   122.9154 9449.900  214.6000 8697.900   287.7000 135.6834 1.543492  130.0578 2.158765  5.625687       2.653796  
1 1 1 -17 4  7  o 72.25962 0.5282977 2675.794   39.11765 2638.200  66.50000 2729.500   95.00000 71.73537 0.9046695 72.94379 1.270975  -1.208427      1.560065  
1 1 1 -17 4  8  o 132.3790 0.9294304 8984.456   126.0766 8950.700  212.5000 9033.700   310.0000 132.0497 1.570447  132.5225 2.282831  -0.4728088     2.770852  
1 1 1 -17 4  9  o 84.83903 0.6149047 3688.797   53.45667 3470.700  86.40000 4042.700   140.2000 82.27175 1.024860  88.74807 1.541667  -6.476318      1.851237  
1 1 1 -17 4  10 o 140.8698 0.9585677 10174.46   138.3691 10137.30  232.3000 10229.20   342.2000 140.5214 1.613275  140.9942 2.368538  -0.4727783     2.865768  
1 1 1 -17 4  11 o 23.35776 0.4313196 279.5722   10.32354 334.9000  17.30000 197.7000   25.60000 25.55371 0.6612395 19.58915 1.282391  5.964560       1.442832  
1 1 1 -17 4  12 o 57.96609 0.5123317 1721.899   30.43152 1628.000  45.40000 1912.800   92.30000 56.35540 0.7861800 61.04811 1.475473  -4.692707      1.671855  
1 1 1 -17 4  13 o 107.0367 0.7841655 5872.923   86.00798 5831.500  143.4000 5935.000   214.9000 106.6098 1.312665  107.4592 1.951616  -0.8494720     2.351998  
1 1 1 -17 4  14 o 91.93300 0.6688686 4331.910   63.01017 4210.000  104.2000 4518.400   159.4000 90.59832 1.122404  93.79758 1.658434  -3.199265      2.002547  
1 1 1 -17 4  15 o 76.70411 0.5684768 3015.326   44.68171 3016.300  75.20000 3013.900   110.1000 76.69566 0.9568605 76.62827 1.402167  0.6739044E-01  1.697544  
1 1 1 -17 4  16 o 81.14915 0.6011561 3375.129   49.98844 3241.400  80.20000 3596.400   132.7000 79.50157 0.9844649 83.68356 1.547506  -4.181992      1.834106  
1 1 1 -17 4  17 o 29.72656 0.4151900 452.8310   12.64707 455.2000  19.90000 448.7000   34.70000 29.80029 0.6516798 29.55075 1.148127  0.2495384      1.320182  
1 1 1 -17 4  18 o 91.34363 0.6618730 4276.980   61.95142 4326.300  108.9000 4211.900   143.7000 91.82259 1.157391  90.54698 1.548761  1.275604       1.933446  
1 1 1 -17 4  19 o 18.72960 0.3913531 179.7651   7.510963 195.1000  15.70000 165.7000   14.40000 19.49077 0.7877128 17.95990 0.7843480 1.530876       1.111617  
1 1 1 -17 4  20 o 35.68020 0.3422745 652.3625   12.51411 678.3000  26.90000 629.8000   23.40000 36.37305 0.7217291 35.05075 0.6515086 1.322296       0.9722944 
1 1 1 -17 4  21 o 96.56718 0.6845614 4780.911   67.73925 4649.400  159.4000 4878.100   117.8000 95.08392 1.635998  97.48130 1.179304  -2.397385      2.016742  
1 1 1 -17 4  22 o 83.78665 0.6147988 3598.842   52.78448 3812.000  143.2000 3474.400   83.60000 86.08764 1.623319  82.28822 0.9914486 3.799416       1.902139  
1 1 1 -17 4  23 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -17 5  1  o 37.77678 0.7181605 0.000000   0.000000 ?         ?        731.6000   27.80000 ?        ?         37.77678 0.7181605 0.000000       0.7181605 
1 1 1 -17 5  2  o 103.3584 0.6010422 5475.589   63.65744 5576.300  123.3000 5368.100   131.6000 104.2495 1.154225  102.2712 1.255752  1.978287       1.705623  
1 1 1 -17 5  3  o 41.32349 0.3386939 875.0126   14.34177 875.5000  22.00000 874.1000   41.20000 41.33166 0.5194473 41.28401 0.9739059 0.4764938E-01  1.103774  
1 1 1 -17 5  4  o 59.73267 0.4328632 1828.411   26.49482 1844.300  44.40000 1804.900   65.70000 59.98159 0.7223815 59.31822 1.080884  0.6633759      1.300055  
1 1 1 -17 5  5  o 49.35225 0.4643004 1248.168   23.48034 1322.100  45.00000 1167.500   49.10000 50.77976 0.8648155 47.71250 1.004271  3.067261       1.325318  
1 1 1 -17 5  6  o 11.18294 0.5613543 64.25409   6.412100 68.20000  9.900000 57.00000   18.20000 11.50253 0.8458460 10.38834 1.773328  1.114188       1.964726  
1 1 1 -17 5  7  o 93.44608 0.6502429 4475.693   62.26373 4567.000  106.2000 4346.300   150.5000 94.36029 1.098340  91.99508 1.596517  2.365211       1.937838  
1 1 1 -17 5  8  o 110.2875 0.7595325 6235.196   85.83629 6099.400  141.0000 6446.500   219.4000 109.0292 1.262054  111.9830 1.911992  -2.953804      2.290959  
1 1 1 -17 5  9  o 52.43056 0.4372275 1408.684   23.49040 1394.900  38.40000 1430.400   60.50000 52.16566 0.7183700 52.80754 1.118050  -0.6418800     1.328943  
1 1 1 -17 5  10 o 79.88804 0.5897408 3270.935   48.27711 3336.200  85.20000 3185.600   111.4000 80.65439 1.030892  78.78226 1.379934  1.872131       1.722486  
1 1 1 -17 5  11 o 72.66931 0.5434496 2706.399   40.46771 2749.100  67.30000 2642.000   101.5000 73.22269 0.8969557 71.74483 1.380629  1.477859       1.646410  
1 1 1 -17 5  12 o 37.88463 0.3817708 735.4553   14.82054 651.1000  22.40000 900.4000   43.80000 35.64183 0.6133236 41.89992 1.020146  -6.258087      1.190321  
1 1 1 -17 5  13 o 55.08688 0.4224042 1555.045   23.84376 1569.200  41.20000 1535.600   56.60000 55.32725 0.7267078 54.71813 1.009455  0.6091156      1.243826  
1 1 1 -17 5  14 o 90.82671 0.6718886 4228.649   62.53299 4032.000  99.40000 4562.200   168.6000 88.65491 1.094171  94.21224 1.746433  -5.557335      2.060883  
1 1 1 -17 5  15 o 63.44729 0.5191587 2063.115   33.75293 2006.100  55.60000 2151.200   85.90000 62.54782 0.8674895 64.73745 1.294909  -2.189629      1.558630  
1 1 1 -17 5  16 o 16.82920 0.5236829 145.2958   9.019896 149.5000  14.60000 138.5000   23.60000 17.05446 0.8380084 16.36115 1.421769  0.6933098      1.650359  
1 1 1 -17 5  17 o 53.80970 0.4705878 1483.910   25.94775 1425.400  42.80000 1574.000   65.90000 52.72501 0.7921888 55.38070 1.161258  -2.655685      1.405732  
1 1 1 -17 5  18 o 66.19427 0.5254470 2245.775   35.64082 2318.200  61.80000 2147.100   84.20000 67.22987 0.8970731 64.66702 1.270664  2.562851       1.555419  
1 1 1 -17 5  19 o 39.57644 0.4363002 802.7066   17.69378 763.9000  30.90000 854.7000   41.40000 38.59666 0.7812867 40.81565 0.9898632 -2.218998      1.261046  
1 1 1 -17 5  20 o 34.16886 0.4317173 598.3414   15.11570 633.4000  29.50000 561.5000   31.00000 35.14306 0.8191889 33.07167 0.9156412 2.071392       1.228605  
1 1 1 -17 5  21 o 29.91423 0.4483356 458.6270   13.74293 440.4000  23.50000 484.3000   33.10000 29.29393 0.7835776 30.70044 1.053730  -1.406511      1.313141  
1 1 1 -17 6  1  o 36.54795 0.6702122 0.000000   0.000000 ?         ?        684.8000   25.10000 ?        ?         36.54795 0.6702122 0.000000       0.6702122 
1 1 1 -17 6  2  o 58.20026 0.7880878 0.000000   0.000000 ?         ?        1736.900   47.00000 ?        ?         58.20026 0.7880878 0.000000       0.7880878 
1 1 1 -17 6  3  o 34.21287 0.7073979 0.000000   0.000000 ?         ?        600.1000   24.80000 ?        ?         34.21287 0.7073979 0.000000       0.7073979 
1 1 1 -17 6  4  o 48.53770 1.023388  0.000000   0.000000 ?         ?        1208.600   50.90000 ?        ?         48.53770 1.023388  0.000000       1.023388  
1 1 1 -17 6  5  o 47.98640 0.4566583 1180.082   22.45473 1128.000  37.90000 1255.800   55.10000 46.90403 0.7885527 49.47340 1.086880  -2.569370      1.342804  
1 1 1 -17 6  6  o 60.91917 0.4563742 1901.874   28.48875 1917.800  47.90000 1878.500   70.30000 61.16032 0.7643063 60.50571 1.133863  0.6546059      1.367410  
1 1 1 -17 6  7  o 63.74436 0.4820729 2082.418   31.48856 1951.500  50.70000 2297.000   83.10000 61.69352 0.8019920 66.90054 1.212196  -5.207024      1.453482  
1 1 1 -17 6  8  o 63.53162 0.4795970 2068.533   31.22229 2069.800  52.80000 2066.700   76.40000 63.53554 0.8109962 63.46175 1.174852  0.7379532E-01  1.427582  
1 1 1 -17 6  9  o 22.86563 0.3810970 267.9212   8.929294 297.8000  13.60000 210.8000   26.00000 24.10476 0.5506019 20.22646 1.260724  3.878300       1.375713  
1 1 1 -17 6  10 o 54.53176 0.4220575 1523.901   23.58411 1475.000  38.90000 1599.200   59.90000 53.63972 0.7077253 55.83325 1.046973  -2.193535      1.263736  
1 1 1 -17 6  11 f 61.02775 0.4672100 1908.684   29.21715 1963.900  50.20000 1831.800   69.90000 61.88941 0.7915694 59.74807 1.141708  2.141342       1.389273  
1 1 1 -17 6  12 o 64.91161 0.4915401 2159.427   32.69487 2134.600  52.90000 2199.600   85.60000 64.52204 0.8001091 65.45844 1.276174  -0.9363937     1.506252  
1 1 1 -17 6  13 o 30.15895 0.3674230 466.0936   11.35484 416.7000  17.60000 555.9000   32.00000 28.51218 0.6023985 32.90732 0.9499788 -4.395140      1.124875  
1 1 1 -17 6  14 o 71.04694 0.5519367 2587.193   40.18213 2605.400  66.60000 2559.500   101.3000 71.27240 0.9119153 70.59070 1.400437  0.6817017      1.671171  
1 1 1 -17 6  15 o 27.76428 0.4049678 395.0358   11.52140 348.1000  16.30000 508.2000   39.30000 26.05911 0.6104212 31.43939 1.222217  -5.380276      1.366173  
1 1 1 -17 6  16 o 4.128278 1.479039  7.385713   7.937888 -12.90000 14.20000 33.10000   18.00000 3.514043 1.633573  7.888685 2.162607  -4.374642      2.710246  
1 1 1 -17 6  17 o 67.55048 0.6034546 2339.136   41.77068 2489.400  84.40000 2191.900   82.70000 69.63398 1.182831  65.33475 1.235273  4.299225       1.710260  
1 1 1 -17 6  18 o 66.64127 0.5941511 2276.616   40.57314 2348.500  81.70000 2205.700   80.60000 67.63152 1.178893  65.54059 1.200125  2.090935       1.682287  
1 1 1 -17 6  19 o 65.84657 0.6205670 2222.801   41.87166 2166.600  78.30000 2287.400   90.00000 64.95728 1.176347  66.72511 1.316300  -1.767830      1.765344  
1 1 1 -17 7  1  o 16.72963 1.425219  0.000000   0.000000 ?         ?        144.9000   24.20000 ?        ?         16.72963 1.425219  0.000000       1.425219  
1 1 1 -17 7  2  o 30.72785 0.6637672 0.000000   0.000000 ?         ?        484.1000   20.90000 ?        ?         30.72785 0.6637672 0.000000       0.6637672 
1 1 1 -17 7  3  o 41.08062 0.6960369 0.000000   0.000000 ?         ?        865.3000   29.30000 ?        ?         41.08062 0.6960369 0.000000       0.6960369 
1 1 1 -17 7  4  o 53.20049 1.049257  0.000000   0.000000 ?         ?        1452.500   57.20000 ?        ?         53.20049 1.049257  0.000000       1.049257  
1 1 1 -17 7  5  o 37.64659 0.9625121 0.000000   0.000000 ?         ?        727.6000   37.10000 ?        ?         37.64659 0.9625121 0.000000       0.9625121 
1 1 1 -17 7  6  o 17.92102 1.293852  0.000000   0.000000 ?         ?        165.8000   23.60000 ?        ?         17.92102 1.293852  0.000000       1.293852  
1 1 1 -17 7  7  o 50.65964 0.5420470 1315.454   28.13827 1237.800  51.80000 1407.800   61.60000 49.11465 1.029249  52.36919 1.147906  -3.254543      1.541766  
1 1 1 -17 7  8  o 5.977924 1.737756  18.73982   11.27788 -17.60000 23.60000 52.00000   21.60000 4.680191 2.150791  9.849039 2.196230  -5.168849      3.073976  
1 1 1 -17 7  9  o 60.20430 0.5908246 1857.977   36.44890 1835.700  72.50000 1880.500   73.30000 59.79735 1.183199  60.52276 1.181917  -0.7254066     1.672389  
1 1 1 -17 7  10 o 22.14187 0.4021941 251.2454   9.125326 274.0000  15.00000 215.9000   23.30000 23.11013 0.6340171 20.47935 1.114503  2.630781       1.282222  
1 1 1 -17 7  11 o 65.81290 0.5844401 2220.272   39.41390 2242.600  74.10000 2194.900   84.20000 66.10190 1.093971  65.37695 1.256866  0.7249527      1.666279  
1 1 1 -17 7  12 o 45.90626 0.4543968 1080.052   21.37497 1209.700  42.70000 950.1000   42.80000 48.56447 0.8580466 43.03269 0.9706148 5.531780       1.295506  
1 1 1 -17 7  13 o 46.25520 0.4518183 1096.537   21.41523 1126.200  40.30000 1062.900   45.70000 46.85895 0.8392940 45.51423 0.9798748 1.344719       1.290182  
1 1 1 -17 7  14 o 78.10833 0.6572571 3127.915   52.60548 3003.900  98.20000 3271.000   113.3000 76.47658 1.253097  79.78255 1.385874  -3.305969      1.868394  
1 1 1 -17 7  15 o 77.06719 0.6704696 3045.223   52.94769 3079.800  106.6000 3011.100   105.2000 77.41975 1.343715  76.55183 1.341102  0.8679199      1.898453  
1 1 1 -17 7  16 o 11.05130 0.7183254 62.89075   8.090463 44.10000  12.90000 94.50000   21.70000 9.155622 1.421047  13.45866 1.605069  -4.303043      2.143739  
1 1 1 -17 8  6  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -17 8  7  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -17 8  8  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -17 8  9  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -17 8  10 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -17 8  11 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -16 0  1  o 39.85263 0.7081933 814.6000   28.90000 814.6000  28.90000 814.6000   28.90000 39.85263 0.7081933 39.85263 0.7081933 -0.000000      0.000000  
1 1 1 -16 0  2  o 4.662266 2.530664  15.70000   17.00000 15.70000  17.00000 15.70000   17.00000 4.662266 2.530664  4.662266 2.530664  -0.000000      0.000000  
1 1 1 -16 0  3  o 117.5494 2.021217  7092.300   243.3000 7092.300  243.3000 7092.300   243.3000 117.5494 2.021217  117.5494 2.021217  -0.000000      0.000000  
1 1 1 -16 0  4  o 36.46855 0.6426857 682.1000   24.00000 682.1000  24.00000 682.1000   24.00000 36.46855 0.6426857 36.46855 0.6426857 0.000000       0.000000  
1 1 1 -16 0  5  o 48.46902 0.7695690 1204.700   38.20000 1204.700  38.20000 1204.700   38.20000 48.46902 0.7695690 48.46902 0.7695690 -0.000000      0.000000  
1 1 1 -16 0  6  o 237.1006 2.750693  28859.30   668.1000 28859.30  668.1000 28859.30   668.1000 237.1006 2.750693  237.1006 2.750693  0.000000       0.000000  
1 1 1 -16 0  7  o 57.60539 0.8372830 1701.500   49.40000 1701.500  49.40000 1701.500   49.40000 57.60539 0.8372830 57.60539 0.8372830 -0.000000      0.000000  
1 1 1 -16 0  8  o 81.11408 1.056735  3373.500   87.80000 3373.500  87.80000 3373.500   87.80000 81.11408 1.056735  81.11408 1.056735  0.000000       0.000000  
1 1 1 -16 0  9  o 56.04524 0.8240160 1610.600   47.30000 1610.600  47.30000 1610.600   47.30000 56.04524 0.8240160 56.04524 0.8240160 0.000000       0.000000  
1 1 1 -16 0  10 o 22.40755 0.7729563 258.2000   17.70000 258.2000  17.70000 258.2000   17.70000 22.40755 0.7729563 22.40755 0.7729563 -0.000000      0.000000  
1 1 1 -16 0  11 o 100.4705 1.228164  5175.800   126.4000 5175.800  126.4000 5175.800   126.4000 100.4705 1.228164  100.4705 1.228164  -0.000000      0.000000  
1 1 1 -16 0  12 o 40.97189 0.6887955 860.9000   28.90000 860.9000  28.90000 860.9000   28.90000 40.97189 0.6887955 40.97189 0.6887955 -0.000000      0.000000  
1 1 1 -16 0  13 o 99.41646 1.224498  5067.900   124.7000 5067.900  124.7000 5067.900   124.7000 99.41646 1.224498  99.41646 1.224498  -0.000000      0.000000  
1 1 1 -16 0  14 o 50.76102 0.7848117 1321.300   40.80000 1321.300  40.80000 1321.300   40.80000 50.76102 0.7848117 50.76102 0.7848117 0.000000       0.000000  
1 1 1 -16 0  15 o 101.3669 1.265474  5269.000   131.4000 5269.000  131.4000 5269.000   131.4000 101.3669 1.265474  101.3669 1.265474  -0.000000      0.000000  
1 1 1 -16 0  16 o 42.10214 0.7190264 909.1000   31.00000 909.1000  31.00000 909.1000   31.00000 42.10214 0.7190264 42.10214 0.7190264 -0.000000      0.000000  
1 1 1 -16 0  17 o 91.82417 1.146082  4323.500   107.8000 4323.500  107.8000 4323.500   107.8000 91.82417 1.146082  91.82417 1.146082  -0.000000      0.000000  
1 1 1 -16 0  18 o 30.00180 0.9257860 462.6000   28.40000 462.6000  28.40000 462.6000   28.40000 30.00180 0.9257860 30.00180 0.9257860 0.000000       0.000000  
1 1 1 -16 0  19 o 148.7919 1.779967  11358.80   271.3000 11358.80  271.3000 11358.80   271.3000 148.7919 1.779967  148.7919 1.779967  -0.000000      0.000000  
1 1 1 -16 0  20 o 48.62237 0.7972955 1212.500   39.70000 1212.500  39.70000 1212.500   39.70000 48.62237 0.7972955 48.62237 0.7972955 -0.000000      0.000000  
1 1 1 -16 0  21 o 42.30343 1.536376  921.3000   66.40000 921.3000  66.40000 921.3000   66.40000 42.30343 1.536376  42.30343 1.536376  0.000000       0.000000  
1 1 1 -16 0  22 o 29.58558 0.7763649 449.5000   23.50000 449.5000  23.50000 449.5000   23.50000 29.58558 0.7763649 29.58558 0.7763649 -0.000000      0.000000  
1 1 1 -16 0  23 o 49.48185 0.7616842 1255.700   38.60000 1255.700  38.60000 1255.700   38.60000 49.48185 0.7616842 49.48185 0.7616842 0.000000       0.000000  
1 1 1 -16 0  24 f 16.29658 1.009011  137.7000   16.70000 137.7000  16.70000 137.7000   16.70000 16.29658 1.009011  16.29658 1.009011  -0.000000      0.000000  
1 1 1 -16 0  25 o 14.04621 0.9767717 102.6000   13.90000 102.6000  13.90000 102.6000   13.90000 14.04621 0.9767717 14.04621 0.9767717 -0.000000      0.000000  
1 1 1 -16 0  26 o 88.69335 1.130420  4035.800   102.7000 4035.800  102.7000 4035.800   102.7000 88.69335 1.130420  88.69335 1.130420  -0.000000      0.000000  
1 1 1 -16 0  27 o 10.30641 1.905530  59.80000   18.10000 59.80000  18.10000 59.80000   18.10000 10.30641 1.905530  10.30641 1.905530  0.000000       0.000000  
1 1 1 -16 1  1  o 35.51600 0.3347828 646.3078   12.18388 594.7000  22.70000 706.1000   26.30000 34.06601 0.6502888 37.11929 0.6914451 -3.053280      0.9491953 
1 1 1 -16 1  2  o 102.5473 0.9253899 5389.984   97.24054 5164.300  182.0000 5648.900   208.8000 100.3250 1.770368  104.9113 1.942272  -4.586212      2.628046  
1 1 1 -16 1  3  o 80.68864 0.7441102 3336.576   61.52450 3170.400  122.7000 3503.700   123.4000 78.62258 1.522996  82.65571 1.456948  -4.033127      2.107656  
1 1 1 -16 1  4  o 23.49564 0.3395455 282.8557   8.174924 297.4000  16.40000 268.4000   16.30000 24.08123 0.6652473 22.87494 0.6962015 1.206284       0.9629385 
1 1 1 -16 1  5  o 101.9923 0.6205879 5330.576   64.85880 5354.000  127.7000 5306.400   131.8000 102.1921 1.219481  101.7344 1.264297  0.4577026      1.756582  
1 1 1 -16 1  6  o 112.9147 0.6723868 6533.588   77.79794 6425.000  154.8000 6643.300   156.4000 111.9404 1.349540  113.8267 1.340893  -1.886353      1.902434  
1 1 1 -16 1  7  o 45.80341 0.3700188 1074.951   17.36681 1029.300  32.20000 1128.400   37.70000 44.81697 0.7011567 46.92366 0.7840633 -2.106693      1.051844  
1 1 1 -16 1  8  o 42.72854 0.4037793 935.4785   17.67911 941.4000  30.80000 927.5000   41.50000 42.86064 0.7012836 42.53938 0.9520473 0.3212547      1.182452  
1 1 1 -16 1  9  o 54.95690 0.4009323 1547.540   22.57832 1537.900  46.60000 1556.600   43.80000 54.77944 0.8301756 55.11248 0.7755785 -0.3330460     1.136096  
1 1 1 -16 1  10 f 103.3010 0.6449739 5468.309   68.27236 5629.000  144.4000 5324.200   129.5000 104.7771 1.344939  101.9067 1.240134  2.870430       1.829424  
1 1 1 -16 1  11 o 40.55624 0.3462028 842.7640   14.38754 771.2000  27.00000 924.4000   30.80000 38.79328 0.6792176 42.47166 0.7077063 -3.678383      0.9809102 
1 1 1 -16 1  12 o 12.99721 0.5568925 86.72095   7.399662 60.40000  14.70000 113.4000   14.90000 10.76765 1.362760  14.84143 0.9853221 -4.073782      1.681659  
1 1 1 -16 1  13 o 80.05170 0.5386567 3283.722   44.18563 3017.200  83.30000 3584.800   94.10000 76.71986 1.059592  83.62384 1.098149  -6.903976      1.525997  
1 1 1 -16 1  14 o 59.19635 0.4386892 1795.547   26.61033 1716.400  52.00000 1878.500   54.50000 57.86923 0.8769145 60.54019 0.8785254 -2.670959      1.241284  
1 1 1 -16 1  15 o 111.6829 0.6852297 6392.035   78.41895 6667.500  165.3000 6143.400   149.2000 114.0221 1.414769  109.4551 1.330254  4.566994       1.941944  
1 1 1 -16 1  16 o 161.6975 0.9327620 13401.84   154.5513 13809.50  318.1000 13016.60   300.6000 164.0271 1.892560  159.2560 1.842022  4.771072       2.640990  
1 1 1 -16 1  17 o 62.69214 0.4334995 2013.902   27.84839 2125.400  58.20000 1911.600   53.40000 64.39400 0.8820216 61.07021 0.8533231 3.323799       1.227242  
1 1 1 -16 1  18 o 26.99318 0.3650675 373.3445   10.09777 396.2000  19.90000 349.8000   20.50000 27.79550 0.6992382 26.11349 0.7669400 1.682011       1.037849  
1 1 1 -16 1  19 o 17.60952 0.4617191 159.0081   8.324324 197.3000  16.80000 121.4000   16.50000 19.60147 0.8383523 15.35162 1.055314  4.249848       1.347784  
1 1 1 -16 1  20 o 28.33757 0.3482372 411.4613   10.11198 350.7000  18.30000 486.5000   22.60000 26.14974 0.6835305 30.80934 0.7158594 -4.659601      0.9897821 
1 1 1 -16 1  21 o 76.50392 0.5236232 2999.329   41.04885 2875.700  79.30000 3132.000   85.10000 74.88859 1.033378  78.15285 1.062640  -3.264267      1.482253  
1 1 1 -16 1  22 o 68.27684 0.4695767 2388.882   32.85325 2471.500  71.20000 2318.100   61.00000 69.42496 1.000843  67.24200 0.8853006 2.182953       1.336205  
1 1 1 -16 1  23 o 36.82948 0.8161250 695.4000   30.80000 695.4000  30.80000 ?          ?        36.82948 0.8161250 ?        ?         0.000000       0.8161250 
1 1 1 -16 1  24 o 56.25768 0.4093389 1621.848   23.59735 1698.400  47.70000 1546.900   46.70000 57.55508 0.8087910 54.92712 0.8297203 2.627964       1.158697  
1 1 1 -16 1  25 o 54.99527 0.4224015 1549.933   23.80396 1454.900  43.90000 1662.500   52.00000 53.26752 0.8042733 56.93615 0.8912856 -3.668621      1.200519  
1 1 1 -16 1  26 o 53.33649 0.4112098 1457.860   22.47430 1474.100  45.20000 1441.800   44.70000 53.61447 0.8227314 53.02382 0.8226937 0.5906487      1.163491  
1 1 1 -16 1  27 o 47.47028 0.4469308 1154.887   21.74005 1056.200  46.80000 1240.500   40.60000 45.36966 1.006658  49.18209 0.8056022 -3.812435      1.289324  
1 1 1 -16 2  1  o 17.97572 0.3854359 165.5667   7.099649 161.1000  13.40000 170.6000   15.10000 17.71441 0.7398382 18.22663 0.8105128 -0.5122147     1.097402  
1 1 1 -16 2  2  o 137.1148 0.9615254 9636.713   135.0963 9626.900  220.7000 9652.200   348.3000 136.9944 1.572176  137.0540 2.480066  -0.5966187E-01 2.936403  
1 1 1 -16 2  3  o 95.14205 0.8213278 4639.271   80.07324 4731.400  160.9000 4548.000   159.4000 96.03748 1.634997  94.15654 1.652112  1.880936       2.324368  
1 1 1 -16 2  4  o 63.64772 0.4211420 2075.722   27.46691 1907.200  50.80000 2274.100   59.80000 61.00265 0.8126745 66.61082 0.8761088 -5.608173      1.194992  
1 1 1 -16 2  5  o 61.77459 0.4145424 1955.337   26.24081 1788.300  48.70000 2150.500   56.90000 59.07080 0.8045588 64.77596 0.8572354 -5.705158      1.175656  
1 1 1 -16 2  6  o 27.35973 0.3075544 383.5395   8.622478 320.6000  16.00000 457.1000   18.70000 25.01267 0.6242543 29.86658 0.6110233 -4.853910      0.8735233 
1 1 1 -16 2  7  o 57.79824 0.3947426 1711.699   23.37906 1732.400  48.20000 1692.200   45.40000 58.14034 0.8090421 57.46257 0.7710322 0.6777725      1.117604  
1 1 1 -16 2  8  o 48.52186 0.3750722 1206.341   18.64879 1199.000  37.00000 1213.800   37.60000 48.36959 0.7465019 48.66709 0.7539701 -0.2974930     1.061007  
1 1 1 -16 2  9  o 81.78332 0.5121072 3427.267   42.91647 3328.700  83.50000 3531.500   88.30000 80.58525 1.011189  83.00277 1.038173  -2.417519      1.449244  
1 1 1 -16 2  10 o 89.65979 0.5745404 4119.340   52.78575 3857.200  97.50000 4428.800   115.1000 86.74324 1.096909  92.94322 1.208535  -6.199982      1.632105  
1 1 1 -16 2  11 o 86.37945 0.5558116 3823.400   49.19675 3921.000  97.60000 3724.200   99.20000 87.45770 1.089064  85.23264 1.135814  2.225067       1.573574  
1 1 1 -16 2  12 o 104.3569 0.6542897 5580.791   69.96642 5599.900  141.5000 5562.100   138.4000 104.5039 1.321374  104.1521 1.296790  0.3517609      1.851403  
1 1 1 -16 2  13 o 28.29016 0.3354517 410.0741   9.724422 361.2000  19.60000 458.2000   19.30000 26.53850 0.7214136 29.90219 0.6298773 -3.363686      0.9576967 
1 1 1 -16 2  14 o 103.6718 0.6540114 5507.813   69.47752 5533.100  136.5000 5481.600   141.5000 103.8790 1.282349  103.3910 1.335597  0.4880295      1.851550  
1 1 1 -16 2  15 o 96.83325 0.6122358 4805.061   60.74934 4838.800  121.1000 4771.100   121.9000 97.14577 1.216527  96.46281 1.233234  0.6829681      1.732283  
1 1 1 -16 2  16 o 75.35945 0.5018449 2910.061   38.75303 2768.900  74.90000 3061.400   80.30000 73.49456 0.9945538 77.27821 1.014052  -3.783646      1.420366  
1 1 1 -16 2  17 o 66.10445 0.4505857 2239.133   30.52154 2278.700  61.70000 2200.400   60.40000 66.67433 0.9030839 65.51891 0.8996465 1.155418       1.274725  
1 1 1 -16 2  18 o 90.16622 0.5668212 4166.206   52.37069 4215.600  105.7000 4117.700   103.8000 90.67239 1.137631  89.61380 1.130379  1.058594       1.603734  
1 1 1 -16 2  19 o 47.38143 0.3829072 1150.340   18.59089 1144.900  39.40000 1155.200   35.20000 47.26133 0.8135644 47.47559 0.7235590 -0.2142563     1.088772  
1 1 1 -16 2  20 o 59.42335 0.4249369 1809.416   25.87498 1722.900  51.70000 1896.100   51.80000 57.97339 0.8702890 60.81904 0.8311737 -2.845650      1.203434  
1 1 1 -16 2  21 f 86.63445 0.5648776 3846.436   50.14681 3987.700  99.50000 3702.900   101.1000 88.18002 1.101170  84.96828 1.161170  3.211739       1.600279  
1 1 1 -16 2  22 o 63.59803 0.4450947 2072.679   29.00644 2220.300  61.50000 1940.900   54.90000 65.80540 0.9120427 61.52781 0.8707681 4.277592       1.260975  
1 1 1 -16 2  23 o 67.52238 0.4873261 2336.511   33.71831 2288.900  68.40000 2382.800   66.50000 66.80527 0.9991876 68.16496 0.9520551 -1.359695      1.380139  
1 1 1 -16 2  24 o 21.25691 0.4622866 231.5652   10.06954 262.1000  17.00000 187.2000   24.70000 22.59894 0.7350903 19.05520 1.272273  3.543736       1.469366  
1 1 1 -16 2  25 o 67.13802 0.4720367 2310.088   32.47452 2365.400  65.20000 2255.200   64.70000 67.90878 0.9369649 66.30682 0.9522428 1.601959       1.335915  
1 1 1 -16 2  26 o 38.58049 0.4014294 762.7843   15.86994 705.0000  35.50000 809.5000   28.70000 37.06010 0.9355580 39.73500 0.7048722 -2.674896      1.171373  
1 1 1 -16 2  27 o 34.93026 0.4141197 625.2941   14.82266 666.1000  35.40000 595.9000   25.50000 36.01892 0.9599785 34.09010 0.7299844 1.928829       1.206000  
1 1 1 -16 3  1  o 41.78677 0.3341357 894.6895   14.30738 889.2000  25.20000 901.9000   33.10000 41.65569 0.5903748 41.94932 0.7700247 -0.2936287     0.9702992 
1 1 1 -16 3  2  o 7.220041 0.9692514 27.20061   6.989939 36.50000  10.10000 6.300000   22.70000 8.349996 1.216125  5.863191 2.392328  2.486805       2.683690  
1 1 1 -16 3  3  o 89.29230 0.7797312 4086.276   71.34398 4435.800  146.8000 3755.800   138.8000 92.99204 1.540572  85.56512 1.583049  7.426926       2.208938  
1 1 1 -16 3  4  o 64.04230 0.4260123 2101.554   27.95680 1997.800  51.90000 2222.700   60.60000 62.43419 0.8112347 65.85233 0.8980553 -3.418148      1.210209  
1 1 1 -16 3  5  o 94.38023 0.5703683 4564.550   55.16134 4442.200  106.7000 4695.500   114.2000 93.08615 1.118616  95.70090 1.164533  -2.614754      1.614756  
1 1 1 -16 3  6  o 18.19953 0.3609687 169.7131   6.731752 122.2000  11.90000 231.6000   15.50000 15.42316 0.7552625 21.24657 0.7129517 -5.823411      1.038615  
1 1 1 -16 3  7  o 52.13499 0.3648330 1392.689   19.49045 1261.300  36.00000 1547.800   42.50000 49.61055 0.7081578 54.95603 0.7547015 -5.345474      1.034921  
1 1 1 -16 3  8  o 112.1942 0.6673346 6450.594   76.72068 6357.500  150.5000 6547.400   156.5000 111.3480 1.319033  112.9965 1.351609  -1.648460      1.888570  
1 1 1 -16 3  9  o 67.75068 0.4530971 2352.001   31.45599 2198.200  60.10000 2520.900   66.00000 65.48891 0.8955881 70.13063 0.9184125 -4.641724      1.282794  
1 1 1 -16 3  10 o 83.99139 0.5307469 3614.896   45.67942 3503.900  86.90000 3737.900   96.30000 82.67674 1.025742  85.38960 1.100583  -2.712852      1.504470  
1 1 1 -16 3  11 o 75.68200 0.4905722 2934.970   38.04468 2999.300  75.20000 2869.100   77.00000 76.49444 0.9593776 74.81412 1.004405  1.680321       1.388969  
1 1 1 -16 3  12 o 48.73520 0.3842567 1216.985   19.18945 1212.200  37.50000 1222.000   39.30000 48.63432 0.7524714 48.82991 0.7854313 -0.1955872     1.087711  
1 1 1 -16 3  13 o 38.78405 0.3550140 770.7297   14.10903 819.0000  27.30000 719.1000   29.20000 39.97693 0.6664305 37.45825 0.7607414 2.518681       1.011364  
1 1 1 -16 3  14 f 75.04974 0.5172046 2886.208   39.77498 2713.900  79.60000 3058.300   79.50000 72.75842 1.067656  77.23982 1.004448  -4.481400      1.465881  
1 1 1 -16 3  15 o 39.40204 0.3311259 795.4850   13.36935 751.9000  26.20000 840.9000   27.30000 38.30386 0.6675140 40.50758 0.6577002 -2.203716      0.9370936 
1 1 1 -16 3  16 o 110.2890 0.6756468 6233.743   76.35728 6194.400  148.3000 6275.500   157.4000 109.8994 1.316883  110.6102 1.388708  -0.7108078     1.913816  
1 1 1 -16 3  17 o 86.49605 0.5578310 3833.933   49.44215 3770.900  96.40000 3900.300   101.5000 85.75841 1.096988  87.21508 1.135733  -1.456673      1.579010  
1 1 1 -16 3  18 o 44.90597 0.3812519 1033.280   17.54342 1024.600  32.30000 1043.600   38.40000 44.71176 0.7049891 45.12155 0.8305176 -0.4097939     1.089389  
1 1 1 -16 3  19 o 13.03709 0.5271161 87.24184   7.027305 89.60000  13.30000 84.60000   14.90000 13.18239 0.9918736 12.79256 1.148883  0.3898306      1.517810  
1 1 1 -16 3  20 o 48.83265 0.3975994 1221.920   19.89548 1136.400  40.40000 1304.900   39.20000 47.08277 0.8373770 50.45527 0.7581954 -3.372501      1.129628  
1 1 1 -16 3  21 o 87.91009 0.5542374 3960.610   49.92671 3762.700  94.70000 4181.300   105.6000 85.65353 1.078962  90.28694 1.141407  -4.633408      1.570659  
1 1 1 -16 3  22 o 50.35201 0.3793157 1299.163   19.57113 1296.600  38.60000 1301.800   39.70000 50.29193 0.7490152 50.39192 0.7688316 -0.9999466E-01 1.073371  
1 1 1 -16 3  23 o 85.80136 0.5479315 3773.117   48.17467 3760.500  96.10000 3785.800   96.60000 85.61536 1.095402  85.90266 1.097418  -0.2873077     1.550558  
1 1 1 -16 3  24 o 79.83915 0.5460107 3267.084   44.66995 3301.900  90.30000 3233.000   88.40000 80.21841 1.098539  79.37830 1.086806  0.8401031      1.545295  
1 1 1 -16 3  25 o 24.71067 0.3991593 312.9190   10.10716 262.8000  21.10000 359.0000   19.40000 22.61677 0.9123170 26.45162 0.7163927 -3.834854      1.159975  
1 1 1 -16 3  26 o 37.46849 0.4038967 719.4594   15.50725 826.2000  39.10000 649.3000   25.70000 40.12975 0.9508498 35.58591 0.7047852 4.543839       1.183570  
1 1 1 -16 4  1  o 57.34604 0.3783661 1685.053   22.23382 1696.000  43.30000 1673.500   45.70000 57.52499 0.7345697 57.14091 0.7804960 0.3840752      1.071805  
1 1 1 -16 4  2  o 48.81220 0.4045008 1220.864   20.23234 1153.400  30.50000 1353.800   60.10000 47.44116 0.6274024 51.38376 1.141432  -3.942604      1.302498  
1 1 1 -16 4  3  o 91.70274 0.6405994 4309.573   60.19595 4442.700  104.6000 4129.100   141.8000 93.08742 1.096585  89.71190 1.542509  3.375519       1.892573  
1 1 1 -16 4  4  o 131.7872 0.9215122 8902.610   124.4436 9063.700  209.6000 8667.200   306.3000 132.9188 1.538886  129.8746 2.301570  3.044144       2.768645  
1 1 1 -16 4  5  f 48.56070 0.4210493 1208.313   20.95156 1200.600  33.30000 1221.400   56.50000 48.40192 0.6714030 48.80863 1.129675  -0.4067078     1.314134  
1 1 1 -16 4  6  o 64.78612 0.5170189 2150.766   34.32312 2029.200  53.90000 2363.900   94.50000 62.92146 0.8359718 67.89231 1.358354  -4.970852      1.594984  
1 1 1 -16 4  7  o 32.42057 0.3748405 538.5689   12.45276 487.8000  19.30000 630.9000   35.10000 30.85282 0.6104697 35.06874 0.9777157 -4.215927      1.152650  
1 1 1 -16 4  8  o 73.62849 0.5540988 2777.979   41.80531 2753.100  70.60000 2814.100   102.5000 73.28714 0.9401097 74.07664 1.350343  -0.7895050     1.645367  
1 1 1 -16 4  9  o 96.47773 0.5858435 4769.796   57.91713 4839.600  117.2000 4701.600   114.5000 97.15485 1.177239  95.76027 1.166868  1.394585       1.657550  
1 1 1 -16 4  10 f 77.67262 0.5350683 3091.503   42.58686 3000.800  82.70000 3187.800   87.80000 76.50809 1.054872  78.85453 1.086600  -2.346436      1.514415  
1 1 1 -16 4  11 o 82.33204 0.5211811 3473.518   43.96994 3516.000  90.30000 3433.200   85.70000 82.81483 1.064097  81.83583 1.021972  0.9790039      1.475374  
1 1 1 -16 4  12 o 49.12851 0.3640482 1236.709   18.32698 1299.300  38.00000 1178.400   35.40000 50.35069 0.7365119 47.95124 0.7204520 2.399445       1.030292  
1 1 1 -16 4  13 o 60.33823 0.4184469 1865.508   25.87208 1931.300  52.30000 1801.100   51.20000 61.38393 0.8314739 59.27837 0.8428986 2.105556       1.183988  
1 1 1 -16 4  14 o 45.91486 0.3766431 1080.219   17.72073 1124.800  36.00000 1037.000   34.90000 46.84687 0.7499349 44.98119 0.7571748 1.865685       1.065700  
1 1 1 -16 4  15 o 131.4732 0.7791924 8859.458   104.9737 8983.600  210.7000 8736.200   209.2000 132.3166 1.554003  130.4806 1.564651  1.836014       2.205234  
1 1 1 -16 4  16 o 80.02564 0.5049126 3281.703   41.40413 3614.300  91.10000 3004.600   75.90000 83.95918 1.058892  76.55540 0.9675370 7.403778       1.434357  
1 1 1 -16 4  17 o 57.17345 0.4078592 1674.972   23.89478 1785.800  50.20000 1574.300   45.60000 59.02388 0.8299991 55.41940 0.8029799 3.604485       1.154849  
1 1 1 -16 4  18 o 49.68828 0.3789110 1265.095   19.29255 1163.400  35.40000 1386.900   42.40000 47.64249 0.7251210 52.01577 0.7954860 -4.373280      1.076382  
1 1 1 -16 4  19 o 157.4922 0.9150542 12716.97   147.6740 13034.20  302.2000 12413.80   288.8000 159.2760 1.851594  155.4481 1.813065  3.827866       2.591449  
1 1 1 -16 4  20 o 55.07755 0.4047878 1554.470   22.84548 1738.900  49.40000 1395.800   42.50000 58.23953 0.8277720 52.17983 0.7948549 6.059696       1.147607  
1 1 1 -16 4  21 o 30.81221 0.3561757 486.4858   11.24568 461.1000  21.40000 514.6000   23.70000 29.99207 0.6963202 31.68350 0.7299899 -1.691431      1.008834  
1 1 1 -16 4  22 o 48.54602 0.3686928 1207.652   18.34073 1133.100  33.80000 1296.100   40.10000 47.01429 0.7015982 50.27908 0.7783208 -3.264793      1.047866  
1 1 1 -16 4  23 o 92.85023 0.6731735 4419.576   64.04841 4647.700  161.6000 4269.800   106.1000 95.07984 1.658649  91.21572 1.135134  3.864120       2.009887  
1 1 1 -16 4  24 o 27.31766 0.4324002 382.4433   12.10397 430.2000  30.20000 350.5000   20.20000 28.93826 1.020037  26.13419 0.7550914 2.804075       1.269109  
1 1 1 -16 4  25 o 12.73465 0.6357417 83.34571   8.269714 99.70000  21.60000 73.20000   13.40000 13.83934 1.549723  11.89019 1.112735  1.949145       1.907831  
1 1 1 -16 5  1  o 34.92270 0.2785884 624.8970   9.969403 724.5000  18.30000 505.7000   21.90000 37.60101 0.4749557 31.41157 0.6803872 6.189447       0.8297648 
1 1 1 -16 5  2  o 51.04191 0.3380314 1334.923   17.68000 1304.200  31.20000 1375.100   40.80000 50.44678 0.6035632 51.79580 0.7687182 -1.349026      0.9773517 
1 1 1 -16 5  3  o 33.05247 0.2918496 559.7585   9.884651 523.3000  15.40000 625.1000   27.60000 31.95651 0.4702870 34.92248 0.7712686 -2.965965      0.9033411 
1 1 1 -16 5  4  o 90.52937 0.7318427 4200.461   67.88997 4095.700  129.5000 4315.900   142.7000 89.35130 1.414394  91.71279 1.518433  -2.361496      2.075127  
1 1 1 -16 5  5  o 63.59401 0.5054475 2072.385   32.93750 1933.800  51.00000 2325.100   93.00000 61.42314 0.8102887 67.32693 1.348018  -5.903790      1.572807  
1 1 1 -16 5  6  o 32.48581 0.3787094 540.7474   12.60661 572.5000  19.80000 485.1000   34.70000 33.42402 0.5781068 30.73895 1.103436  2.685070       1.245704  
1 1 1 -16 5  7  o 102.9210 0.7172335 5428.922   75.64201 5614.600  128.3000 5162.200   184.3000 104.6369 1.196585  100.2779 1.793584  4.358932       2.156098  
1 1 1 -16 5  8  o 49.27491 0.3927893 1244.117   19.83280 1309.200  35.40000 1161.200   45.10000 50.54250 0.6835152 47.59438 0.9247460 2.948116       1.149934  
1 1 1 -16 5  9  o 35.32281 0.4082617 639.3276   14.77721 709.5000  24.10000 528.1000   38.20000 37.20821 0.6320915 32.07067 1.164336  5.137539       1.324847  
1 1 1 -16 5  10 o 81.03174 0.5900461 3364.903   48.99362 3328.600  80.70000 3421.000   124.7000 80.57826 0.9773660 81.65696 1.490304  -1.078697      1.782204  
1 1 1 -16 5  11 o 79.56621 0.6093810 3244.349   49.68393 3141.500  82.20000 3401.500   125.6000 78.27811 1.024786  81.42176 1.505396  -3.143646      1.821099  
1 1 1 -16 5  12 o 29.37143 0.3871259 442.0389   11.65133 446.2000  19.30000 435.7000   29.40000 29.50688 0.6383157 29.13566 0.9861669 0.3712196      1.174722  
1 1 1 -16 5  13 o 81.67947 0.6055620 3419.010   50.68388 3316.000  80.90000 3591.800   135.7000 80.42358 0.9816728 83.65829 1.582969  -3.234703      1.862652  
1 1 1 -16 5  14 o 52.29639 0.4568481 1401.441   24.48172 1478.700  41.50000 1290.300   59.70000 53.71183 0.7540146 50.16000 1.161498  3.551838       1.384780  
1 1 1 -16 5  15 o 40.07498 0.3316454 822.9053   13.61901 714.0000  25.60000 946.7000   29.10000 37.32448 0.6693417 42.97864 0.6607574 -5.654160      0.9405416 
1 1 1 -16 5  16 o 30.16124 0.3591569 466.1335   11.10022 513.1000  23.30000 423.4000   21.20000 31.63951 0.7186671 28.73210 0.7206311 2.907415       1.017738  
1 1 1 -16 5  17 o 36.78737 0.3358808 693.4362   12.66142 807.6000  26.80000 591.2000   24.00000 39.69500 0.6588712 33.96233 0.6896289 5.732677       0.9537816 
1 1 1 -16 5  18 o 106.6928 0.6410812 5834.443   70.08844 5803.200  138.4000 5866.500   142.0000 106.3491 1.270001  106.9243 1.296026  -0.5752335     1.814548  
1 1 1 -16 5  19 o 22.46872 0.3571478 258.6904   8.222892 191.1000  15.00000 340.7000   18.20000 19.29232 0.7602555 25.77172 0.6897955 -6.479399      1.026551  
1 1 1 -16 5  20 o 33.86541 0.3434573 587.6747   11.91866 564.4000  24.40000 609.9000   23.30000 33.18081 0.7176363 34.49387 0.6591976 -1.313057      0.9744452 
1 1 1 -16 5  21 o 44.32184 0.3650076 1006.637   16.57746 1126.700  36.90000 908.7000   30.10000 46.87777 0.7681766 42.10172 0.6976993 4.776051       1.037728  
1 1 1 -16 5  22 o 62.01492 0.5326411 1971.166   33.84771 2194.900  85.80000 1825.400   55.90000 65.38141 1.280662  59.65621 0.9144455 5.725201       1.573628  
1 1 1 -16 5  23 o 49.51774 0.4397544 1256.637   22.31359 1209.800  48.40000 1296.700   41.40000 48.56009 0.9726744 50.28466 0.8034641 -1.724567      1.261606  
1 1 1 -16 5  24 o 32.60251 0.3868524 544.7166   12.92393 622.2000  32.40000 493.3000   21.50000 34.81429 0.9089934 31.01834 0.6764280 3.795958       1.133060  
1 1 1 -16 6  1  o 74.17636 0.9262085 0.000000   0.000000 ?         ?        2821.200   70.40000 ?        ?         74.17636 0.9262085 0.000000       0.9262085 
1 1 1 -16 6  2  o 46.17739 0.8601351 0.000000   0.000000 ?         ?        1093.200   40.70000 ?        ?         46.17739 0.8601351 0.000000       0.8601351 
1 1 1 -16 6  3  o 71.21931 0.6184310 2599.555   45.13229 2659.900  83.30000 2528.200   98.50000 72.01507 1.128816  70.19244 1.369454  1.822632       1.774720  
1 1 1 -16 6  4  o 70.34776 0.6186620 2536.294   44.59664 2630.800  87.00000 2436.900   91.50000 71.61764 1.185498  68.92049 1.295610  2.697151       1.756135  
1 1 1 -16 6  5  o 66.57479 0.4823571 2271.251   32.90614 2346.000  56.50000 2167.000   78.80000 67.65028 0.8150428 64.99997 1.183082  2.650314       1.436655  
1 1 1 -16 6  6  o 85.03647 0.5994513 3705.921   52.23451 3577.900  82.80000 3924.700   141.5000 83.53668 0.9672857 87.44044 1.579231  -3.903763      1.851921  
1 1 1 -16 6  7  f 92.43952 0.6670656 4379.530   63.18654 4371.100  104.9000 4392.300   158.9000 92.32359 1.108829  92.49288 1.676553  -0.1692886     2.010057  
1 1 1 -16 6  8  o 115.7537 0.7933997 6868.166   94.10772 6645.400  155.4000 7210.200   238.6000 113.8127 1.332484  118.4590 1.965640  -4.646347      2.374711  
1 1 1 -16 6  9  o 26.57409 0.3880365 361.8545   10.56646 365.2000  15.80000 355.1000   31.90000 26.69483 0.5776057 26.28586 1.187389  0.4089756      1.320424  
1 1 1 -16 6  10 o 77.44768 0.5615492 3073.891   44.56507 2930.100  71.50000 3311.800   118.3000 75.59927 0.9229753 80.33595 1.437065  -4.736687      1.707934  
1 1 1 -16 6  11 o 20.19562 0.4133266 208.9968   8.553599 238.6000  13.20000 154.5000   24.30000 21.56874 0.5978191 17.29762 1.382447  4.271128       1.506170  
1 1 1 -16 6  12 o 17.89855 0.4964630 164.2944   9.096692 187.4000  14.30000 123.9000   25.00000 19.10693 0.7317290 15.45278 1.602044  3.654148       1.761242  
1 1 1 -16 6  13 o 80.60453 0.6011498 3329.785   49.65244 3355.000  81.20000 3290.100   127.8000 80.88929 0.9796402 80.05492 1.557918  0.8343735      1.840327  
1 1 1 -16 6  14 o 21.16295 0.4574085 229.5084   9.919248 209.8000  14.70000 270.4000   30.50000 20.21887 0.7106207 22.91947 1.304046  -2.700598      1.485098  
1 1 1 -16 6  15 o 27.20316 0.3868713 379.1980   10.78411 433.9000  17.70000 293.9000   27.60000 29.09652 0.5936546 23.91011 1.129689  5.186411       1.276175  
1 1 1 -16 6  16 o 12.40574 0.6771103 79.12225   8.574936 78.70000  12.70000 80.00000   26.40000 12.34622 1.012750  12.28707 2.176454  0.5914879E-01  2.400545  
1 1 1 -16 6  17 o 52.75184 0.4535396 1426.060   24.51609 1462.700  39.70000 1366.900   64.10000 53.41623 0.7253022 51.61175 1.212024  1.804478       1.412467  
1 1 1 -16 6  18 o 94.50863 0.6916487 4578.748   66.98158 4623.000  114.6000 4516.500   161.2000 94.91533 1.178284  93.73997 1.678193  1.175362       2.050533  
1 1 1 -16 6  19 o 64.69796 0.5253171 2145.338   34.82655 2242.200  59.90000 2010.800   83.20000 66.12201 0.8840614 62.58276 1.297389  3.539246       1.569963  
1 1 1 -16 6  20 o 68.57973 0.6420071 2411.003   45.11634 2489.500  89.00000 2330.300   91.50000 69.63433 1.247292  67.36205 1.325585  2.272285       1.820141  
1 1 1 -16 6  21 o 107.4915 0.9217229 5927.112   101.5249 6145.700  202.9000 5708.200   203.2000 109.2660 1.812168  105.2853 1.883465  3.980736       2.613694  
1 1 1 -16 6  22 o 54.29407 0.5558078 1511.051   30.92256 1692.500  62.40000 1332.800   61.30000 57.42560 1.060427  50.94941 1.174148  6.476189       1.582128  
1 1 1 -16 6  23 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -16 7  1  o 84.83401 1.054875  0.000000   0.000000 ?         ?        3692.100   91.70000 ?        ?         84.83401 1.054875  0.000000       1.054875  
1 1 1 -16 7  2  o 61.65959 0.8530800 0.000000   0.000000 ?         ?        1949.500   53.90000 ?        ?         61.65959 0.8530800 0.000000       0.8530800 
1 1 1 -16 7  3  o 36.27341 0.7129500 0.000000   0.000000 ?         ?        674.5000   26.50000 ?        ?         36.27341 0.7129500 0.000000       0.7129500 
1 1 1 -16 7  4  o 110.1613 1.882484  0.000000   0.000000 ?         ?        6240.500   212.5000 ?        ?         110.1613 1.882484  0.000000       1.882484  
1 1 1 -16 7  5  o 34.24741 1.024133  0.000000   0.000000 ?         ?        602.1000   35.90000 ?        ?         34.24741 1.024133  0.000000       1.024133  
1 1 1 -16 7  6  o 58.11012 0.5811999 1730.677   34.60793 1720.400  66.30000 1741.900   72.40000 57.91142 1.117252  58.26581 1.212625  -0.3543892     1.648851  
1 1 1 -16 7  7  o 56.93948 0.5272855 1661.546   30.76505 1504.000  40.40000 2164.600   129.0000 54.16619 0.7278715 64.85135 1.943402  -10.68516      2.075237  
1 1 1 -16 7  8  o 79.89823 0.5806469 3271.780   47.53874 3227.500  78.90000 3338.900   119.6000 79.33258 0.9705704 80.64528 1.447284  -1.312698      1.742595  
1 1 1 -16 7  9  o 42.74230 0.3654679 936.1393   16.00684 1008.400  27.50000 835.5000   38.30000 44.35628 0.6050332 40.36532 0.9259595 3.990959       1.106104  
1 1 1 -16 7  10 o 47.29503 0.3980412 1146.218   19.29043 1073.500  30.20000 1274.800   53.40000 45.76442 0.6439922 49.85432 1.045298  -4.089905      1.227751  
1 1 1 -16 7  11 o 89.89439 0.6330269 4141.994   58.31136 4092.700  97.90000 4214.600   144.2000 89.32431 1.069583  90.58675 1.553468  -1.262436      1.886073  
1 1 1 -16 7  12 o 55.53354 0.5055451 1580.502   28.76826 1537.900  48.60000 1642.300   70.50000 54.76585 0.8660201 56.57271 1.216141  -1.806854      1.492980  
1 1 1 -16 7  13 o 37.25365 0.3850426 711.1738   14.69860 654.6000  22.70000 815.1000   41.70000 35.73663 0.6198891 39.85050 1.022027  -4.113873      1.195325  
1 1 1 -16 7  14 o 32.45194 0.3842214 539.6624   12.77676 508.2000  18.50000 609.9000   41.30000 31.48854 0.5733514 34.45555 1.171452  -2.967009      1.304236  
1 1 1 -16 7  15 o 59.92303 0.4776365 1840.234   29.32849 1954.800  51.40000 1688.000   68.30000 61.74438 0.8123951 57.35289 1.162163  4.391499       1.417959  
1 1 1 -16 7  16 o 7.092695 1.385528  26.72624   9.708597 7.700000  14.40000 66.10000   29.80000 4.992395 1.948389  11.09002 2.657156  -6.097624      3.294950  
1 1 1 -16 7  17 f 35.25639 0.4499135 637.0320   16.25419 647.0000  29.50000 624.8000   36.20000 35.52040 0.8104864 34.88242 1.013829  0.6379890      1.297974  
1 1 1 -16 7  18 o 68.86060 0.6373990 2430.860   44.97597 2390.400  80.70000 2481.800   101.6000 68.24040 1.154074  69.49823 1.426664  -1.257828      1.835008  
1 1 1 -16 7  19 o 54.97604 0.5134537 1549.126   28.92498 1635.000  57.90000 1463.400   57.80000 56.44804 1.000994  53.39918 1.056319  3.048862       1.455265  
1 1 1 -16 7  20 o 38.58463 0.8245269 763.6000   32.60000 763.6000  32.60000 ?          ?        38.58463 0.8245269 ?        ?         0.000000       0.8245269 
1 1 1 -16 7  21 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -16 8  1  o 15.21295 1.441291  0.000000   0.000000 ?         ?        120.0000   22.20000 ?        ?         15.21295 1.441291  0.000000       1.441291  
1 1 1 -16 8  2  o 50.64466 0.7861911 0.000000   0.000000 ?         ?        1315.300   40.80000 ?        ?         50.64466 0.7861911 0.000000       0.7861911 
1 1 1 -16 8  3  o 76.44323 0.9804464 0.000000   0.000000 ?         ?        2998.000   76.80000 ?        ?         76.44323 0.9804464 0.000000       0.9804464 
1 1 1 -16 8  4  o 31.65617 0.9382020 0.000000   0.000000 ?         ?        514.5000   30.40000 ?        ?         31.65617 0.9382020 0.000000       0.9382020 
1 1 1 -16 8  5  o 27.54979 1.000586  0.000000   0.000000 ?         ?        389.9000   28.20000 ?        ?         27.54979 1.000586  0.000000       1.000586  
1 1 1 -16 8  6  o 87.33958 1.617928  0.000000   0.000000 ?         ?        3921.700   144.8000 ?        ?         87.33958 1.617928  0.000000       1.617928  
1 1 1 -16 8  7  o 34.62113 0.5524660 614.3588   19.59951 721.2000  48.70000 542.4000   32.80000 37.45789 1.270622  32.50156 0.9859928 4.956329       1.608311  
1 1 1 -16 8  8  o 62.73093 0.5956415 2017.113   38.28821 1890.200  73.10000 2156.700   80.40000 60.68531 1.175534  64.81885 1.210477  -4.133533      1.687345  
1 1 1 -16 8  9  o 55.19192 0.5611238 1561.336   31.73457 1560.700  62.10000 1562.000   64.90000 55.14885 1.098897  55.16787 1.148048  -0.1902390E-01 1.589210  
1 1 1 -16 8  10 o 55.70576 0.5258931 1590.473   30.01898 1682.000  60.90000 1501.500   59.20000 57.25615 1.037999  54.09459 1.067996  3.161556       1.489314  
1 1 1 -16 8  11 o 76.68468 0.6743137 3014.740   52.98696 3044.500  101.3000 2982.100   111.1000 77.00083 1.283854  76.18848 1.423070  0.8123474      1.916614  
1 1 1 -16 8  12 o 46.92857 0.4601549 1128.676   22.12788 1212.200  42.90000 1039.700   45.70000 48.61633 0.8611459 45.01712 0.9906954 3.599216       1.312650  
1 1 1 -16 8  13 o 27.40075 0.3836157 384.7545   10.77103 357.7000  16.90000 432.3000   29.70000 26.41530 0.6243566 29.00977 1.000609  -2.594463      1.179424  
1 1 1 -16 8  14 o 33.41500 0.4244851 572.2236   14.53457 607.7000  25.50000 525.2000   33.80000 34.42662 0.7228488 31.97525 1.032939  2.451368       1.260743  
1 1 1 -16 8  15 o 21.98038 0.4402923 247.6088   9.916869 258.6000  16.90000 232.0000   24.00000 22.44500 0.7357936 21.23106 1.106991  1.213940       1.329218  
1 1 1 -16 8  16 o 73.46056 1.267348  2771.900   95.40000 2771.900  95.40000 ?          ?        73.46056 1.267348  ?        ?         0.000000       1.267348  
1 1 1 -16 8  17 o 60.90695 1.020644  1903.900   63.70000 1903.900  63.70000 ?          ?        60.90695 1.020644  ?        ?         0.000000       1.020644  
1 1 1 -16 8  18 o 19.85462 0.9861233 202.8000   20.00000 202.8000  20.00000 ?          ?        19.85462 0.9861233 ?        ?         0.000000       0.9861233 
1 1 1 -16 9  3  o 60.02554 1.100662  0.000000   0.000000 ?         ?        1849.900   67.70000 ?        ?         60.02554 1.100662  0.000000       1.100662  
1 1 1 -16 9  4  o 41.50782 1.020379  0.000000   0.000000 ?         ?        884.3000   43.40000 ?        ?         41.50782 1.020379  0.000000       1.020379  
1 1 1 -16 9  5  o 23.68953 1.173594  0.000000   0.000000 ?         ?        288.9000   28.40000 ?        ?         23.68953 1.173594  0.000000       1.173594  
1 1 1 -16 9  6  o 55.18441 1.110567  0.000000   0.000000 ?         ?        1563.500   62.80000 ?        ?         55.18441 1.110567  0.000000       1.110567  
1 1 1 -16 9  7  o 14.33705 1.371239  0.000000   0.000000 ?         ?        106.6000   19.90000 ?        ?         14.33705 1.371239  0.000000       1.371239  
1 1 1 -16 9  8  o 49.27219 1.016055  0.000000   0.000000 ?         ?        1246.000   51.30000 ?        ?         49.27219 1.016055  0.000000       1.016055  
1 1 1 -16 9  9  o 64.75680 1.333704  0.000000   0.000000 ?         ?        2154.900   88.50000 ?        ?         64.75680 1.333704  0.000000       1.333704  
1 1 1 -16 9  10 o 85.42247 1.589120  0.000000   0.000000 ?         ?        3754.500   139.1000 ?        ?         85.42247 1.589120  0.000000       1.589120  
1 1 1 -16 9  11 o 59.67826 1.239523  0.000000   0.000000 ?         ?        1829.500   75.80000 ?        ?         59.67826 1.239523  0.000000       1.239523  
1 1 1 -16 9  12 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -16 9  13 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -15 0  1  o 15.50260 1.666411  127.4000   25.70000 127.4000  25.70000 127.4000   25.70000 15.50260 1.666411  15.50260 1.666411  0.000000       0.000000  
1 1 1 -15 0  2  o 86.92096 1.535860  3876.100   136.7000 3876.100  136.7000 3876.100   136.7000 86.92096 1.535860  86.92096 1.535860  0.000000       0.000000  
1 1 1 -15 0  3  o 31.48278 0.6453627 508.5000   20.80000 508.5000  20.80000 508.5000   20.80000 31.48278 0.6453627 31.48278 0.6453627 0.000000       0.000000  
1 1 1 -15 0  4  o 1.665713 1.227311  -45.80000  15.10000 -45.80000 15.10000 -45.80000  15.10000 1.665713 1.227311  1.665713 1.227311  0.000000       0.000000  
1 1 1 -15 0  5  o 1.707373 1.248699  -34.00000  13.60000 -34.00000 13.60000 -34.00000  13.60000 1.707373 1.248699  1.707373 1.248699  -0.000000      0.000000  
1 1 1 -15 0  6  f 66.96778 0.9345107 2299.400   64.10000 2299.400  64.10000 2299.400   64.10000 66.96778 0.9345107 66.96778 0.9345107 0.000000       0.000000  
1 1 1 -15 0  7  o 196.0172 2.288868  19710.50   459.6000 19710.50  459.6000 19710.50   459.6000 196.0172 2.288868  196.0172 2.288868  0.000000       0.000000  
1 1 1 -15 0  8  o 89.06140 1.102707  4066.600   100.6000 4066.600  100.6000 4066.600   100.6000 89.06140 1.102707  89.06140 1.102707  0.000000       0.000000  
1 1 1 -15 0  9  o 45.97158 0.7264116 1083.700   34.20000 1083.700  34.20000 1083.700   34.20000 45.97158 0.7264116 45.97158 0.7264116 -0.000000      0.000000  
1 1 1 -15 0  10 o 53.71674 0.8270571 1479.600   45.50000 1479.600  45.50000 1479.600   45.50000 53.71674 0.8270571 53.71674 0.8270571 -0.000000      0.000000  
1 1 1 -15 0  11 o 169.0380 2.014339  14655.80   348.8000 14655.80  348.8000 14655.80   348.8000 169.0380 2.014339  169.0380 2.014339  0.000000       0.000000  
1 1 1 -15 0  12 o 36.25510 0.7976254 674.5000   29.60000 674.5000  29.60000 674.5000   29.60000 36.25510 0.7976254 36.25510 0.7976254 0.000000       0.000000  
1 1 1 -15 0  13 f 50.53065 0.8561140 1309.500   44.30000 1309.500  44.30000 1309.500   44.30000 50.53065 0.8561140 50.53065 0.8561140 -0.000000      0.000000  
1 1 1 -15 0  14 o 231.3069 2.637247  27455.80   624.9000 27455.80  624.9000 27455.80   624.9000 231.3069 2.637247  231.3069 2.637247  -0.000000      0.000000  
1 1 1 -15 0  15 o 146.5172 1.757634  11009.70   263.8000 11009.70  263.8000 11009.70   263.8000 146.5172 1.757634  146.5172 1.757634  0.000000       0.000000  
1 1 1 -15 0  16 o 77.43518 1.050239  3074.500   83.30000 3074.500  83.30000 3074.500   83.30000 77.43518 1.050239  77.43518 1.050239  -0.000000      0.000000  
1 1 1 -15 0  17 o 14.44251 1.145497  108.9000   16.70000 108.9000  16.70000 108.9000   16.70000 14.44251 1.145497  14.44251 1.145497  -0.000000      0.000000  
1 1 1 -15 0  18 o 3.968373 2.289212  10.00000   15.00000 10.00000  15.00000 10.00000   15.00000 3.968373 2.289212  3.968373 2.289212  -0.000000      0.000000  
1 1 1 -15 0  19 o 78.96513 1.015012  3197.100   82.10000 3197.100  82.10000 3197.100   82.10000 78.96513 1.015012  78.96513 1.015012  -0.000000      0.000000  
1 1 1 -15 0  20 o 34.10161 0.7218828 596.7000   25.20000 596.7000  25.20000 596.7000   25.20000 34.10161 0.7218828 34.10161 0.7218828 -0.000000      0.000000  
1 1 1 -15 0  21 o 64.99478 0.9629329 2166.300   64.10000 2166.300  64.10000 2166.300   64.10000 64.99478 0.9629329 64.99478 0.9629329 -0.000000      0.000000  
1 1 1 -15 0  22 o 127.0908 1.507807  8284.600   196.3000 8284.600  196.3000 8284.600   196.3000 127.0908 1.507807  127.0908 1.507807  -0.000000      0.000000  
1 1 1 -15 0  23 o 146.8339 1.765814  11062.50   265.6000 11062.50  265.6000 11062.50   265.6000 146.8339 1.765814  146.8339 1.765814  0.000000       0.000000  
1 1 1 -15 0  24 o 11.28542 1.819285  70.20000   19.40000 70.20000  19.40000 70.20000   19.40000 11.28542 1.819285  11.28542 1.819285  0.000000       0.000000  
1 1 1 -15 0  25 o 75.80099 1.023935  2946.800   79.50000 2946.800  79.50000 2946.800   79.50000 75.80099 1.023935  75.80099 1.023935  0.000000       0.000000  
1 1 1 -15 0  26 o 106.6856 1.379027  5840.000   150.7000 5840.000  150.7000 5840.000   150.7000 106.6856 1.379027  106.6856 1.379027  -0.000000      0.000000  
1 1 1 -15 0  27 o 49.47576 0.8250073 1255.700   41.80000 1255.700  41.80000 1255.700   41.80000 49.47576 0.8250073 49.47576 0.8250073 0.000000       0.000000  
1 1 1 -15 0  28 f 101.3820 1.815794  5282.600   188.5000 5282.600  188.5000 5282.600   188.5000 101.3820 1.815794  101.3820 1.815794  0.000000       0.000000  
1 1 1 -15 0  29 o 9.774404 2.131175  55.50000   18.70000 55.50000  18.70000 55.50000   18.70000 9.774404 2.131175  9.774404 2.131175  0.000000       0.000000  
1 1 1 -15 1  1  o 101.6969 0.7410229 5299.886   77.22140 5645.500  136.1000 4846.600   178.5000 104.9412 1.265650  97.20583 1.792039  7.735413       2.193918  
1 1 1 -15 1  2  o 156.8868 1.310986  12618.07   210.7574 12394.20  414.1000 12850.10   429.2000 155.3566 2.601220  158.1816 2.647924  -2.824921      3.711852  
1 1 1 -15 1  3  f 97.91577 0.6097012 4912.778   61.17417 4920.500  121.9000 4905.000   122.8000 97.97475 1.214203  97.81990 1.225103  0.1548538      1.724867  
1 1 1 -15 1  4  o 75.60795 0.4903691 2929.123   37.99172 2957.900  78.30000 2902.000   73.80000 75.96883 1.005838  75.24874 0.9571032 0.7200928      1.388437  
1 1 1 -15 1  5  o 96.39584 0.5913473 4761.397   58.41163 4648.200  113.1000 4882.300   120.8000 95.22772 1.159046  97.59444 1.207935  -2.366722      1.674065  
1 1 1 -15 1  6  o 134.9489 0.8162482 9332.562   112.8730 9465.400  224.8000 9198.600   226.7000 135.8633 1.614714  133.9322 1.651840  1.931091       2.309952  
1 1 1 -15 1  7  o 84.25596 0.5555506 3637.583   47.96479 3611.800  93.40000 3664.800   98.60000 83.94505 1.085809  84.55714 1.137963  -0.6120834     1.572877  
1 1 1 -15 1  8  o 34.97334 0.3460025 626.6995   12.39980 638.9000  24.70000 614.4000   24.90000 35.31015 0.6826513 34.62637 0.7017688 0.6837883      0.9790262 
1 1 1 -15 1  9  o 68.54565 0.4573193 2407.452   32.12165 2656.500  68.10000 2185.100   60.80000 71.99640 0.9230770 65.29703 0.9086818 6.699371       1.295289  
1 1 1 -15 1  10 o 108.6711 0.6708368 6051.461   74.70150 6145.500  152.1000 5960.700   146.8000 109.4874 1.355709  107.8300 1.328582  1.657471       1.898177  
1 1 1 -15 1  11 o 40.93543 0.3724490 858.5923   15.62300 929.0000  32.60000 793.8000   30.00000 42.57785 0.7471977 39.35788 0.7438599 3.219963       1.054340  
1 1 1 -15 1  12 o 172.3713 1.023124  15228.26   180.7139 14972.40  354.9000 15493.70   368.2000 170.8298 2.027421  173.7735 2.067768  -2.943680      2.895876  
1 1 1 -15 1  13 o 90.74708 0.5884813 4219.731   54.72222 4599.000  121.3000 3908.000   99.70000 94.71795 1.249770  87.31754 1.114282  7.400414       1.674381  
1 1 1 -15 1  14 o 86.41557 0.5533977 3826.476   49.00357 3854.500  100.1000 3799.600   96.00000 86.71678 1.126504  86.09829 1.088124  0.6184921      1.566213  
1 1 1 -15 1  15 o 75.54971 0.5039526 2924.653   39.01403 2677.300  73.00000 3208.600   83.80000 72.27484 0.9856831 79.12045 1.033611  -6.845604      1.428258  
1 1 1 -15 1  16 o 96.69315 0.6174138 4790.968   61.17450 4797.300  122.0000 4784.600   122.7000 96.73600 1.230760  96.60748 1.239468  0.1285248      1.746726  
1 1 1 -15 1  17 o 124.0929 0.7619835 7891.596   96.89267 7479.600  184.3000 8348.300   204.3000 120.7701 1.489250  127.5850 1.562681  -6.814865      2.158666  
1 1 1 -15 1  18 o 152.5444 0.9163502 11926.69   143.2373 11995.70  281.9000 11855.40   291.2000 152.9052 1.799180  151.9998 1.869606  0.9053497      2.594701  
1 1 1 -15 1  19 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -15 1  20 o 113.0399 0.7149563 6548.488   82.81512 6459.600  162.3000 6641.100   169.1000 112.2292 1.411283  113.7919 1.450220  -1.562645      2.023576  
1 1 1 -15 1  21 o 51.41969 0.3890110 1354.762   20.49697 1497.000  44.50000 1233.300   38.00000 54.04436 0.8035468 49.05494 0.7559664 4.989429       1.103256  
1 1 1 -15 1  22 f 45.82874 0.3784698 1076.172   17.77328 1098.500  35.20000 1053.400   35.90000 46.29605 0.7419940 45.33508 0.7727903 0.9609642      1.071336  
1 1 1 -15 1  23 o 119.8820 0.7390218 7366.052   90.78404 7072.300  176.0000 7679.000   187.5000 117.4047 1.462947  122.3330 1.495751  -4.928238      2.092244  
1 1 1 -15 1  24 o 66.27602 0.4695504 2250.888   31.88872 2106.800  62.60000 2400.500   65.00000 64.10294 0.9530113 68.42663 0.9270216 -4.323692      1.329511  
1 1 1 -15 1  25 o 53.46235 0.4156700 1464.638   22.77168 1406.400  45.00000 1524.300   46.10000 52.37645 0.8384517 54.52820 0.8250521 -2.151745      1.176313  
1 1 1 -15 1  26 o 55.78207 0.4237258 1594.548   24.22021 1605.500  46.80000 1582.800   50.20000 55.95934 0.8161592 55.55915 0.8817586 0.4001808      1.201505  
1 1 1 -15 1  27 o 72.62193 0.5003709 2702.914   37.23559 2617.900  71.50000 2795.300   77.70000 71.44111 0.9766962 73.81761 1.027218  -2.376503      1.417431  
1 1 1 -15 1  28 o 50.07804 0.4429122 1285.218   22.72811 1360.400  59.70000 1239.000   36.70000 51.48473 1.131612  49.15840 0.7285678 2.326328       1.345866  
1 1 1 -15 1  29 o 35.43243 0.4811831 643.4550   17.47067 578.1000  34.40000 710.9000   35.50000 33.55090 1.001711  37.21408 0.9316748 -3.663177      1.368007  
1 1 1 -15 2  1  o 157.1144 1.066964  12652.62   171.7767 12723.70  294.1000 12552.80   413.0000 157.4926 1.822369  156.3369 2.578043  1.155731       3.157109  
1 1 1 -15 2  2  o 81.45557 0.7714078 3400.172   64.38775 3173.700  112.7000 3702.000   150.2000 78.67733 1.397900  84.95850 1.725300  -6.281174      2.220537  
1 1 1 -15 2  3  o 225.6631 1.279804  26105.50   295.9391 25770.00  588.3000 26445.10   595.5000 224.0201 2.562793  226.9359 2.560827  -2.915756      3.622946  
1 1 1 -15 2  4  o 72.08987 0.4767799 2662.872   35.22010 2905.300  74.50000 2445.500   66.80000 75.29097 0.9656395 69.07714 0.9437213 6.213829       1.350211  
1 1 1 -15 2  5  o 154.2803 0.8952730 12198.47   141.5352 12219.90  280.2000 12176.60   286.0000 154.3556 1.771526  154.0782 1.811450  0.2773743      2.533704  
1 1 1 -15 2  6  f 207.1277 1.178699  21990.99   250.1725 22527.30  507.7000 21470.00   493.2000 209.4922 2.365053  204.5188 2.353376  4.973389       3.336443  
1 1 1 -15 2  7  o 123.7940 0.7402105 7853.197   93.89734 7712.500  186.8000 7995.400   188.8000 122.6463 1.486360  124.8761 1.475449  -2.229790      2.094329  
1 1 1 -15 2  8  o 146.7571 0.8682685 11037.61   130.5725 10871.10  260.0000 11205.60   262.3000 145.5908 1.742774  147.8147 1.731738  -2.223877      2.456863  
1 1 1 -15 2  9  o 51.14009 0.3953700 1340.028   20.71875 1306.700  39.00000 1377.800   44.20000 50.49667 0.7537086 51.85122 0.8318881 -1.354546      1.122548  
1 1 1 -15 2  10 o 77.71414 0.5150083 3094.618   41.01217 3402.000  86.00000 2814.400   78.40000 81.47152 1.030135  74.10223 1.032491  7.369293       1.458498  
1 1 1 -15 2  11 o 46.79602 0.3894140 1122.040   18.67320 1121.900  35.10000 1122.200   39.90000 46.79004 0.7320746 46.79505 0.8320983 -0.5012512E-02 1.108296  
1 1 1 -15 2  12 o 64.02259 0.4524981 2100.223   29.68577 2137.000  58.10000 2061.800   60.70000 64.57444 0.8780457 63.42699 0.9339341 1.147453       1.281873  
1 1 1 -15 2  13 o 64.70354 0.4786183 2145.160   31.73333 2265.000  68.00000 2040.300   59.50000 66.47728 0.9982454 63.09539 0.9202819 3.381886       1.357723  
1 1 1 -15 2  14 o 67.70310 0.4541576 2348.651   31.50747 2109.700  57.50000 2638.300   69.70000 64.16012 0.8745896 71.74741 0.9480432 -7.587296      1.289842  
1 1 1 -15 2  15 o 37.97530 0.3634051 738.9120   14.14134 775.7000  29.00000 703.9000   27.60000 38.90621 0.7274125 37.06189 0.7267468 1.844318       1.028246  
1 1 1 -15 2  16 o 90.39819 0.5785525 4187.417   53.59212 4152.200  105.9000 4223.500   108.5000 89.99948 1.148306  90.76814 1.166535  -0.7686539     1.636891  
1 1 1 -15 2  17 o 80.97853 0.5422629 3360.181   44.99644 3277.200  90.80000 3441.700   89.20000 79.95646 1.108240  81.94034 1.062353  -1.983879      1.535184  
1 1 1 -15 2  18 o 131.3140 0.8184181 8837.367   110.1247 9004.100  227.1000 8680.400   213.8000 132.4829 1.672857  130.0864 1.603901  2.396515       2.317531  
1 1 1 -15 2  19 o 64.18371 0.4343532 2110.850   28.56710 2092.500  58.10000 2128.600   56.20000 63.89493 0.8873835 64.44472 0.8510413 -0.5497856     1.229520  
1 1 1 -15 2  20 o 45.58884 0.3957286 1064.930   18.48649 945.4000  36.00000 1191.100   38.00000 42.94850 0.8180054 48.20843 0.7692406 -5.259933      1.122882  
1 1 1 -15 2  21 o 5.033047 1.509212  13.10772   8.398220 12.40000  15.90000 13.90000   17.80000 5.610040 2.080335  5.936563 2.201180  -0.3265233     3.028694  
1 1 1 -15 2  22 o 77.47533 0.5375295 3075.918   42.67408 3336.100  88.40000 2833.100   82.50000 80.66372 1.069487  74.33368 1.083103  6.330040       1.522142  
1 1 1 -15 2  23 o 51.99360 0.3872818 1385.206   20.63362 1423.600  43.20000 1350.100   39.50000 52.70010 0.7999705 51.32300 0.7510808 1.377094       1.097304  
1 1 1 -15 2  24 o 88.44922 0.5864223 4009.370   53.14995 3881.100  106.4000 4137.400   106.2000 86.98515 1.193708  89.81476 1.153927  -2.829605      1.660267  
1 1 1 -15 2  25 o 54.95393 0.4195629 1547.526   23.62622 1519.300  45.80000 1577.600   48.80000 54.43770 0.8210457 55.47069 0.8585348 -1.032993      1.187938  
1 1 1 -15 2  26 o 53.97461 0.4018067 1492.874   22.22312 1390.800  42.40000 1605.300   46.70000 52.08348 0.7944517 55.95491 0.8144797 -3.871433      1.137774  
1 1 1 -15 2  27 o 17.00059 0.5490620 148.2898   9.552430 151.8000  22.50000 145.7000   16.60000 17.14695 1.290011  16.82600 0.9668550 0.3209534      1.612122  
1 1 1 -15 2  28 o 88.51859 0.6894645 4017.209   62.53812 4169.800  151.3000 3909.700   106.6000 90.04565 1.639751  87.26874 1.192065  2.776909       2.027265  
1 1 1 -15 2  29 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -15 3  1  o 33.26447 0.3619452 566.9591   12.33735 531.3000  18.20000 642.0000   38.30000 32.20030 0.5515859 35.37485 1.057777  -3.174549      1.192954  
1 1 1 -15 3  2  o 155.7932 1.292222  12443.38   206.2928 12390.90  399.2000 12499.50   426.9000 155.3294 2.508064  155.9839 2.670841  -0.6545105     3.663847  
1 1 1 -15 3  3  o 83.43773 0.6279864 3567.438   53.69218 3398.000  85.90000 3849.900   143.2000 81.42220 1.029561  86.64285 1.612917  -5.220657      1.913503  
1 1 1 -15 3  4  o 24.87822 0.3550075 317.1223   9.050138 313.0000  17.20000 321.7000   19.10000 24.70515 0.6800736 25.04414 0.7450958 -0.3389854     1.008795  
1 1 1 -15 3  5  o 88.28968 0.5537397 3994.250   50.09726 3761.200  96.40000 4246.400   104.3000 85.66169 1.098227  91.01866 1.118293  -5.356972      1.567380  
1 1 1 -15 3  6  o 56.68390 0.3877412 1646.306   22.52164 1630.600  44.50000 1662.400   45.60000 56.40852 0.7698691 56.95573 0.7813202 -0.5472069     1.096886  
1 1 1 -15 3  7  o 113.3981 0.6669430 6589.416   77.49842 6552.600  155.7000 6625.900   154.3000 113.0542 1.344014  113.6858 1.324529  -0.6315994     1.886995  
1 1 1 -15 3  8  o 131.7675 0.7738659 8897.652   104.4894 9058.300  211.1000 8740.200   206.9000 132.9101 1.550001  130.5558 1.546557  2.354309       2.189598  
1 1 1 -15 3  9  o 99.07664 1.299197  0.000000   0.000000 ?         ?        5032.300   131.9000 ?        ?         99.07664 1.299197  0.000000       1.299197  
1 1 1 -15 3  10 o 55.01028 0.4267589 1550.544   24.05607 1618.600  49.50000 1486.200   46.80000 56.19902 0.8595637 53.85166 0.8481026 2.347363       1.207530  
1 1 1 -15 3  11 o 176.2205 1.017030  15916.36   183.6490 16522.20  382.1000 15355.70   353.6000 179.4366 2.078105  172.9970 1.994689  6.439606       2.880505  
1 1 1 -15 3  12 o 18.42133 0.5565730 174.0428   10.49405 163.6000  21.50000 184.0000   20.50000 17.82547 1.183768  18.91699 1.061818  -1.091518      1.590209  
1 1 1 -15 3  13 o 53.60207 0.4301485 1472.183   23.62644 1368.000  43.30000 1597.300   52.00000 51.66587 0.8178728 55.82658 0.9090002 -4.160706      1.222783  
1 1 1 -15 3  14 f 46.87570 0.3813432 1125.872   18.31733 1093.400  35.90000 1159.700   37.40000 46.19086 0.7584729 47.57055 0.7672468 -1.379688      1.078865  
1 1 1 -15 3  15 o 49.15375 0.3965163 1237.970   19.97175 1067.400  36.30000 1446.600   44.40000 45.63786 0.7762166 53.12883 0.8155570 -7.490971      1.125898  
1 1 1 -15 3  16 o 31.77156 0.3384320 517.2104   11.01814 488.3000  21.50000 547.6000   22.60000 30.86849 0.6797116 32.68920 0.6746923 -1.820713      0.9577148 
1 1 1 -15 3  17 o 60.92279 0.4406033 1901.808   27.50590 1752.400  53.60000 2059.300   56.50000 58.47260 0.8945693 63.38697 0.8698615 -4.914368      1.247763  
1 1 1 -15 3  18 o 64.30153 0.4487801 2118.621   29.57013 2091.300  56.70000 2148.400   61.80000 63.87708 0.8662429 64.74139 0.9315540 -0.8643188     1.272073  
1 1 1 -15 3  19 o 69.33914 0.4552303 2463.611   32.34506 2561.000  65.50000 2368.600   63.90000 70.68514 0.9043047 67.97771 0.9173518 2.707428       1.288139  
1 1 1 -15 3  20 o 82.34198 0.5327170 3474.414   44.94861 3423.400  89.40000 3526.000   90.40000 81.71519 1.067668  82.93086 1.063785  -1.215675      1.507168  
1 1 1 -15 3  21 o 39.05609 0.3546387 781.5921   14.19297 718.2000  27.10000 851.3000   29.80000 37.43439 0.7064806 40.75566 0.7135590 -3.321278      1.004132  
1 1 1 -15 3  22 o 56.13739 0.4050898 1614.812   23.30246 1596.500  45.20000 1634.300   48.10000 55.80928 0.7903759 56.46481 0.8313211 -0.6555328     1.147078  
1 1 1 -15 3  23 o 80.04062 0.5125347 3283.055   42.03703 3106.700  80.40000 3476.300   88.10000 77.83833 1.008008  82.33603 1.044209  -4.497696      1.451363  
1 1 1 -15 3  24 o 53.61506 0.4079554 1473.014   22.41289 1477.900  47.80000 1468.700   42.20000 53.68974 0.8688368 53.52628 0.7693909 0.1634636      1.160534  
1 1 1 -15 3  25 f 31.16524 0.3694922 497.7038   11.79979 475.1000  23.50000 520.5000   23.70000 30.44251 0.7533365 31.86452 0.7258427 -1.422014      1.046118  
1 1 1 -15 3  26 o 89.27169 0.6688805 4085.319   61.18722 4127.000  150.3000 4056.700   103.2000 89.60768 1.636875  88.91451 1.132684  0.6931686      1.990560  
1 1 1 -15 3  27 o 61.73095 0.5048467 1953.091   31.93456 2199.800  88.70000 1814.300   49.90000 65.44848 1.322591  59.48064 0.8187034 5.967842       1.555482  
1 1 1 -15 3  28 o 18.82069 0.4974621 181.6776   9.585460 180.3000  22.50000 182.7000   16.70000 18.70297 1.180030  18.85330 0.8667510 -0.1503258     1.464148  
1 1 1 -15 4  1  o 76.71078 0.4793780 3015.262   37.68191 3035.600  72.90000 2993.500   78.00000 76.95851 0.9244268 76.42068 0.9960596 0.5378342      1.358933  
1 1 1 -15 4  2  o 130.6866 0.8930308 8753.393   119.5903 8805.200  200.8000 8677.100   295.7000 131.0330 1.495494  130.0027 2.219733  1.030334       2.676512  
1 1 1 -15 4  3  o 28.90202 0.3805798 428.0064   11.27125 390.6000  17.40000 496.8000   32.00000 27.60886 0.6150387 31.11652 1.004918  -3.507668      1.178190  
1 1 1 -15 4  4  o 28.97319 0.3143230 430.1086   9.331916 521.8000  20.40000 352.8000   17.20000 31.91054 0.6238751 26.23884 0.6397133 5.671698       0.8935621 
1 1 1 -15 4  5  o 47.69821 0.3533816 1165.719   17.27207 1226.500  35.00000 1106.500   34.10000 48.92245 0.6981705 46.46735 0.7161567 2.455093       1.000161  
1 1 1 -15 4  6  o 103.5132 0.6188585 5490.655   65.64256 5938.800  142.1000 5105.900   122.0000 107.6282 1.288456  99.80054 1.192967  7.827705       1.755930  
1 1 1 -15 4  7  o 39.26590 0.3321531 789.9831   13.36449 794.6000  26.00000 785.1000   27.50000 39.37817 0.6443465 39.14165 0.6856385 0.2365150      0.9408945 
1 1 1 -15 4  8  o 123.4217 0.7182485 7806.166   90.83742 7602.300  175.5000 8024.900   188.3000 121.7653 1.406551  125.0996 1.468913  -3.334305      2.033738  
1 1 1 -15 4  9  f 33.55466 0.3439002 576.8911   11.82452 602.1000  23.80000 552.0000   23.50000 34.27769 0.6775900 32.82044 0.6987553 1.457256       0.9733381 
1 1 1 -15 4  10 o 171.5564 0.9906484 15085.15   174.1506 14487.10  332.4000 15743.30   365.8000 168.0307 1.930518  175.1498 2.038148  -7.119019      2.807303  
1 1 1 -15 4  11 o 64.56096 0.4405937 2135.709   29.14786 2131.000  57.80000 2140.500   58.80000 64.48237 0.8747591 64.62564 0.8879206 -0.1432724     1.246438  
1 1 1 -15 4  12 o 29.55289 0.3350418 447.4953   10.14606 517.6000  20.70000 380.1000   19.90000 31.78168 0.6356164 27.22514 0.7139364 4.556545       0.9558836 
1 1 1 -15 4  13 o 71.40440 0.4769889 2612.524   34.90050 2652.000  68.00000 2570.900   71.70000 71.93230 0.9225429 70.82201 0.9879899 1.110291       1.351743  
1 1 1 -15 4  14 o 87.97034 0.5657870 3965.543   51.00205 3842.300  96.40000 4104.000   108.3000 86.57601 1.086629  89.47154 1.181259  -2.895531      1.605034  
1 1 1 -15 4  15 o 127.3591 0.7654855 8312.779   99.89997 8354.100  199.9000 8271.500   199.7000 127.6235 1.528564  126.9905 1.534647  0.6330338      2.166022  
1 1 1 -15 4  16 o 122.6309 0.7250271 7706.874   91.10715 7613.400  179.7000 7803.000   184.8000 121.8395 1.439334  123.3454 1.462113  -1.505821      2.051696  
1 1 1 -15 4  17 f 96.97861 0.6103184 4819.500   60.65000 4731.500  121.3000 4907.500   121.3000 96.06136 1.232292  97.83301 1.209977  -1.771645      1.727017  
1 1 1 -15 4  18 o 58.11794 0.4462730 1730.757   26.57720 1600.400  49.20000 1883.900   57.80000 55.87820 0.8592594 60.62363 0.9304382 -4.745434      1.266508  
1 1 1 -15 4  19 o 58.80170 0.4237615 1771.718   25.53346 1711.100  49.80000 1835.500   52.40000 57.77796 0.8411410 59.84099 0.8545435 -2.063030      1.199067  
1 1 1 -15 4  20 o 46.68161 0.3809921 1116.607   18.22469 1163.600  36.60000 1070.000   36.30000 47.64738 0.7496243 45.69026 0.7753265 1.957127       1.078456  
1 1 1 -15 4  21 o 48.99261 0.3709777 1229.906   18.62416 1244.000  37.50000 1216.000   37.00000 49.26529 0.7428342 48.70774 0.7413195 0.5575485      1.049456  
1 1 1 -15 4  22 o 72.21510 0.4912561 2672.437   36.35250 2791.000  76.10000 2564.000   69.60000 73.77708 1.006618  70.71575 0.9604942 3.061325       1.391341  
1 1 1 -15 4  23 o 11.80922 0.6863654 71.72289   8.269879 83.00000  15.60000 59.00000   17.60000 12.66122 1.217391  10.58888 1.677926  2.072348       2.073036  
1 1 1 -15 4  24 o 84.01894 0.5452418 3617.903   46.94233 3752.400  95.10000 3486.800   92.70000 85.52729 1.085119  82.44373 1.097296  3.083557       1.543224  
1 1 1 -15 4  25 o 83.88741 0.6175523 3607.085   53.08464 3718.000  128.2000 3528.700   90.60000 85.07854 1.470515  82.93421 1.066095  2.144333       1.816308  
1 1 1 -15 4  26 o 80.09992 0.6102256 3288.877   50.08652 3708.800  134.8000 3040.600   79.70000 84.94558 1.548641  76.98405 1.010320  7.961525       1.849064  
1 1 1 -15 4  27 o 13.30303 0.7928054 91.07635   10.75824 111.2000  20.70000 69.30000   22.40000 14.64543 1.396211  11.43569 1.983426  3.209744       2.425569  
1 1 1 -15 5  1  o 57.37486 0.3804559 1686.719   22.36785 1613.800  37.70000 1793.100   55.00000 56.11698 0.6556147 59.14652 0.9074759 -3.029545      1.119528  
1 1 1 -15 5  2  o 9.487512 0.5396349 46.27391   5.224638 44.60000  7.000000 51.20000   20.60000 9.299374 0.7407085 9.798592 2.113822  -0.4992180     2.239842  
1 1 1 -15 5  3  o 130.7716 0.8694485 8764.962   116.5080 8491.600  189.1000 9203.700   303.5000 128.6768 1.434144  133.8743 2.212397  -5.197479      2.636564  
1 1 1 -15 5  4  o 85.67744 0.6579480 3761.738   57.76388 3792.200  94.70000 3714.100   148.1000 86.00922 1.074500  85.08478 1.698654  0.9244461      2.009969  
1 1 1 -15 5  5  o 43.70035 0.3999569 978.5204   17.91004 991.6000  28.50000 956.4000   48.20000 43.98904 0.6322691 43.17974 1.090225  0.8093071      1.260299  
1 1 1 -15 5  6  o 57.81157 0.5490203 1712.603   32.52382 1217.900  35.80000 6623.700   355.4000 48.74967 0.7166597 113.4231 3.060658  -64.67340      3.143442  
1 1 1 -15 5  7  o 123.7286 0.7143838 7845.250   90.57324 8464.900  192.7000 7295.700   170.9000 128.4754 1.463738  119.2781 1.398244  9.197342       2.024256  
1 1 1 -15 5  8  o 68.83555 0.4447549 2427.907   31.37126 2521.300  64.70000 2340.000   60.90000 70.13742 0.9002354 67.56924 0.8795689 2.568176       1.258597  
1 1 1 -15 5  9  o 83.76032 0.5176769 3594.987   44.43197 3865.700  94.20000 3353.300   84.10000 86.84017 1.058600  80.88197 1.014719  5.958206       1.466386  
1 1 1 -15 5  10 o 72.42422 0.4684496 2687.693   34.76523 2601.700  67.40000 2779.300   71.80000 71.24589 0.9232126 73.63659 0.9515518 -2.390701      1.325810  
1 1 1 -15 5  11 f 144.7965 0.8444957 10745.56   125.3008 11160.10  260.3000 10360.80   241.6000 147.4856 1.722369  142.1130 1.659070  5.372574       2.391458  
1 1 1 -15 5  12 o 65.75263 0.4292567 2215.300   28.92202 2196.600  56.10000 2235.200   59.70000 65.46654 0.8362673 66.03801 0.8822303 -0.5714722     1.215596  
1 1 1 -15 5  13 o 98.04269 0.6254892 4925.855   62.83960 4622.100  115.1000 5291.100   138.4000 94.94836 1.183013  101.5785 1.329646  -6.630150      1.779741  
1 1 1 -15 5  14 o 38.12088 0.3165082 744.5879   12.36364 746.7000  25.50000 742.6000   24.00000 38.17179 0.6519274 38.06730 0.6152630 0.1044998      0.8964139 
1 1 1 -15 5  15 o 49.38195 0.3498893 1249.490   17.70506 1397.300  38.20000 1121.800   33.00000 52.21590 0.7139409 46.78641 0.6883286 5.429485       0.9917197 
1 1 1 -15 5  16 o 102.2172 0.6398925 5354.465   67.02387 5350.700  134.6000 5358.200   133.5000 102.1458 1.285956  102.2182 1.274544  -0.7239532E-01 1.810565  
1 1 1 -15 5  17 o 41.40812 0.3439628 878.5577   14.59471 816.8000  27.50000 948.4000   31.10000 39.92224 0.6722324 43.01766 0.7055295 -3.095425      0.9745092 
1 1 1 -15 5  18 o 33.95183 0.3499496 590.6482   12.17495 567.1000  24.40000 614.1000   24.30000 33.26399 0.7158418 34.61546 0.6850745 -1.351467      0.9908363 
1 1 1 -15 5  19 o 29.91464 0.3417600 458.5334   10.47619 390.2000  20.00000 533.7000   22.00000 27.58297 0.7081901 32.26992 0.6653137 -4.686943      0.9716869 
1 1 1 -15 5  20 o 43.73469 0.3664906 980.0872   16.42432 957.9000  31.60000 1004.100   34.20000 43.23068 0.7133401 44.25991 0.7540796 -1.029236      1.038022  
1 1 1 -15 5  21 o 39.64951 0.3488007 805.5429   14.17143 755.5000  27.90000 857.2000   28.80000 38.39202 0.7091937 40.89502 0.6872641 -2.503002      0.9875666 
1 1 1 -15 5  22 o 126.1641 0.7450831 8159.654   96.32494 8154.800  192.8000 8164.500   192.5000 126.0251 1.492972  126.1006 1.489756  -0.7550812E-01 2.109108  
1 1 1 -15 5  23 o 76.96134 0.5838197 3035.809   46.04153 3048.800  80.20000 3018.300   108.1000 77.09693 1.015170  76.67443 1.375868  0.4225006      1.709849  
1 1 1 -15 5  24 o 10.00945 0.9073485 51.80433   9.205420 29.00000  19.30000 72.60000   17.60000 7.496673 2.296348  11.79508 1.489313  -4.298410      2.737018  
1 1 1 -15 5  25 o 64.33209 0.6431898 2121.628   42.39994 2145.400  84.70000 2097.800   84.90000 64.63757 1.278792  63.91454 1.296312  0.7230377      1.820916  
1 1 1 -15 5  26 o 42.22178 0.4721172 913.6643   20.42607 984.3000  43.90000 852.2000   38.20000 43.79939 0.9781336 40.75812 0.9146414 3.041264       1.339147  
1 1 1 -15 6  1  o 87.02322 1.098987  0.000000   0.000000 ?         ?        3882.900   98.00000 ?        ?         87.02322 1.098987  0.000000       1.098987  
1 1 1 -15 6  2  o 94.31378 1.650392  0.000000   0.000000 ?         ?        4564.600   159.5000 ?        ?         94.31378 1.650392  0.000000       1.650392  
1 1 1 -15 6  3  o 21.01401 0.4620560 226.2758   9.949515 363.0000  16.80000 27.70000   24.40000 26.61480 0.6160100 7.649697 2.602917  18.96510       2.674817  
1 1 1 -15 6  4  f 63.94194 0.4192074 2094.986   27.46712 2233.900  44.00000 1864.200   73.10000 66.02344 0.6503635 60.29735 1.183098  5.726086       1.350072  
1 1 1 -15 6  5  o 36.12555 0.3559068 668.6921   13.17495 669.8000  21.80000 667.0000   33.30000 36.15337 0.5884497 36.07330 0.9008657 0.8007050E-01  1.076026  
1 1 1 -15 6  6  o 107.4248 0.7426288 5914.289   81.74758 6101.200  141.6000 5659.000   193.4000 109.0792 1.266843  105.0076 1.797370  4.071640       2.198961  
1 1 1 -15 6  7  o 135.8063 0.9368879 9453.793   130.3785 9460.100  217.9000 9444.400   324.6000 135.7962 1.565926  135.5779 2.336476  0.2183075      2.812694  
1 1 1 -15 6  8  o 95.51642 0.6729147 4675.482   65.86223 4473.300  106.2000 5005.600   173.4000 93.40950 1.109520  98.76730 1.713316  -5.357796      2.041197  
1 1 1 -15 6  9  o 108.5706 0.7698010 6041.255   85.64246 6087.300  147.3000 5977.300   204.6000 108.9509 1.319391  107.9147 1.850233  1.036201       2.272478  
1 1 1 -15 6  10 o 68.87400 0.5115548 2430.744   36.10321 2588.500  65.20000 2235.000   80.90000 71.06369 0.8953677 66.02224 1.195804  5.041451       1.493864  
1 1 1 -15 6  11 o 87.71968 0.6334223 3943.274   56.93624 3922.100  94.00000 3975.800   144.4000 87.46729 1.048779  88.02915 1.600819  -0.5618668     1.913781  
1 1 1 -15 6  12 f 66.04278 0.5351930 2235.058   36.21881 2308.900  61.70000 2130.100   87.70000 67.11510 0.8971531 64.44672 1.328007  2.668373       1.602650  
1 1 1 -15 6  13 o 41.89776 0.3583690 899.4615   15.38578 920.9000  28.60000 874.5000   33.30000 42.39035 0.6584164 41.30639 0.7867354 1.083969       1.025897  
1 1 1 -15 6  14 o 52.42664 0.4130962 1408.373   22.19227 1546.500  47.70000 1288.200   41.50000 54.92820 0.8474705 50.13267 0.8078467 4.795536       1.170821  
1 1 1 -15 6  15 o 13.26492 0.4881671 90.28831   6.624151 84.90000  13.10000 95.80000   13.40000 12.82937 1.004481  13.63597 0.9652424 -0.8065996     1.393081  
1 1 1 -15 6  16 o 106.9588 0.6353897 5863.000   69.63940 5703.000  136.2000 6030.400   142.5000 105.4470 1.260505  108.4295 1.282535  -2.982483      1.798268  
1 1 1 -15 6  17 o 77.63187 0.4935708 3088.339   39.26340 3116.300  77.20000 3059.400   79.90000 77.96307 0.9663401 77.24565 1.009426  0.7174149      1.397410  
1 1 1 -15 6  18 f 28.97794 0.3098471 430.2650   9.200541 446.2000  17.50000 412.6000   19.40000 29.50691 0.5787833 28.37297 0.6672652 1.133936       0.8833080 
1 1 1 -15 6  19 f 49.29221 0.4282786 1245.068   21.63232 1244.900  37.30000 1245.300   51.50000 49.28127 0.7386327 49.27879 1.019879  0.2483368E-02  1.259259  
1 1 1 -15 6  20 o 19.99824 0.4776906 204.9494   9.788968 189.4000  15.70000 230.7000   26.00000 19.20427 0.7995663 21.17104 1.203442  -1.966764      1.444846  
1 1 1 -15 6  21 o 18.49495 0.5100588 175.4386   9.657324 157.6000  16.70000 199.9000   22.90000 17.50554 0.9343700 19.70609 1.138914  -2.200552      1.473150  
1 1 1 -15 6  22 o 14.97243 0.6987971 115.1720   10.69159 166.2000  20.80000 61.20000   22.00000 17.96133 1.135944  10.72196 2.077435  7.239370       2.367722  
1 1 1 -15 6  23 o 94.51524 0.8403801 4581.177   81.39092 4889.300  170.9000 4301.000   155.4000 97.49928 1.710576  91.45620 1.658210  6.043076       2.382379  
1 1 1 -15 6  24 o 38.54405 0.4955356 761.4427   19.57179 903.7000  42.20000 638.4000   36.50000 41.96874 0.9812692 35.25850 1.011299  6.710239       1.409119  
1 1 1 -15 6  25 o 30.62045 0.4640203 480.5495   14.55952 547.1000  30.10000 418.2000   28.20000 32.64440 0.9006885 28.53271 0.9659045 4.111687       1.320686  
1 1 1 -15 7  1  o 92.91836 1.150043  0.000000   0.000000 ?         ?        4428.000   109.5000 ?        ?         92.91836 1.150043  0.000000       1.150043  
1 1 1 -15 7  2  f 88.51826 1.123422  0.000000   0.000000 ?         ?        4018.200   101.9000 ?        ?         88.51826 1.123422  0.000000       1.123422  
1 1 1 -15 7  3  o 110.3015 1.873899  0.000000   0.000000 ?         ?        6248.800   211.8000 ?        ?         110.3015 1.873899  0.000000       1.873899  
1 1 1 -15 7  4  o 65.19868 1.206418  0.000000   0.000000 ?         ?        2180.100   80.60000 ?        ?         65.19868 1.206418  0.000000       1.206418  
1 1 1 -15 7  5  o 118.9665 0.7120937 7253.787   86.80808 7491.500  137.9000 6849.900   234.3000 120.8705 1.113385  115.4755 1.980086  5.395012       2.271644  
1 1 1 -15 7  6  o 54.64368 0.5444073 1530.147   30.48332 1571.300  66.90000 1495.700   56.00000 55.35363 1.179456  54.01214 1.011808  1.341488       1.553986  
1 1 1 -15 7  7  f 66.85070 0.4917391 2290.072   33.68520 2219.400  55.50000 2399.200   85.70000 65.80170 0.8231092 68.39687 1.222774  -2.595161      1.474003  
1 1 1 -15 7  8  o 21.18422 0.3911454 229.9519   8.490810 238.3000  13.20000 214.9000   23.80000 21.55558 0.5981855 20.43973 1.140854  1.115852       1.288167  
1 1 1 -15 7  9  o 48.34253 0.3963236 1197.491   19.63259 1132.500  30.50000 1314.900   55.10000 47.00860 0.6331756 50.64077 1.061825  -3.632172      1.236278  
1 1 1 -15 7  10 o 27.13456 0.3822186 377.2737   10.62755 364.6000  15.30000 406.1000   34.80000 26.67341 0.5597764 28.11369 1.210828  -1.440287      1.333961  
1 1 1 -15 7  11 o 108.2639 0.7529683 6007.646   83.53312 6085.700  143.6000 5899.100   199.7000 108.9244 1.286563  107.1809 1.818286  1.743439       2.227422  
1 1 1 -15 7  12 o 116.5091 0.8090832 6958.062   96.59428 7070.700  164.4000 6797.600   234.2000 117.3982 1.366601  115.0246 1.987000  2.373672       2.411590  
1 1 1 -15 7  13 o 91.93243 0.6581828 4331.552   62.00314 4391.800  106.5000 4247.600   148.4000 92.54156 1.123090  90.96731 1.592026  1.574249       1.948301  
1 1 1 -15 7  14 f 41.75199 0.4135749 893.2636   17.69415 890.5000  27.60000 898.2000   49.30000 41.68341 0.6461711 41.83288 1.151181  -0.1494751     1.320135  
1 1 1 -15 7  15 o 16.06163 0.8291314 132.6000   13.60000 132.6000  13.60000 ?          ?        16.06163 0.8291314 ?        ?         0.000000       0.8291314 
1 1 1 -15 7  16 f 102.6046 1.245015  5401.100   130.9000 5401.100  130.9000 ?          ?        102.6046 1.245015  ?        ?         0.000000       1.245015  
1 1 1 -15 7  17 o 57.33492 0.7761528 1685.200   45.60000 1685.200  45.60000 ?          ?        57.33492 0.7761528 ?        ?         0.000000       0.7761528 
1 1 1 -15 7  18 o 32.93213 0.6489719 555.9000   21.90000 555.9000  21.90000 ?          ?        32.93213 0.6489719 ?        ?         0.000000       0.6489719 
1 1 1 -15 7  19 o 58.88280 0.8004981 1777.700   48.30000 1777.700  48.30000 ?          ?        58.88280 0.8004981 ?        ?         0.000000       0.8004981 
1 1 1 -15 7  20 o 31.18492 0.9147648 499.2000   29.20000 499.2000  29.20000 ?          ?        31.18492 0.9147648 ?        ?         0.000000       0.9147648 
1 1 1 -15 7  21 o 55.74794 1.120348  1595.000   64.00000 1595.000  64.00000 ?          ?        55.74794 1.120348  ?        ?         0.000000       1.120348  
1 1 1 -15 7  22 o 25.08511 0.9001237 323.2000   23.10000 323.2000  23.10000 ?          ?        25.08511 0.9001237 ?        ?         0.000000       0.9001237 
1 1 1 -15 7  23 o 54.85498 1.090551  1544.600   61.30000 1544.600  61.30000 ?          ?        54.85498 1.090551  ?        ?         0.000000       1.090551  
1 1 1 -15 8  1  o 32.66224 0.7409813 0.000000   0.000000 ?         ?        546.9000   24.80000 ?        ?         32.66224 0.7409813 0.000000       0.7409813 
1 1 1 -15 8  2  o 57.94757 0.9313041 0.000000   0.000000 ?         ?        1721.900   55.30000 ?        ?         57.94757 0.9313041 0.000000       0.9313041 
1 1 1 -15 8  3  o 37.66561 1.055552  0.000000   0.000000 ?         ?        728.2000   40.70000 ?        ?         37.66561 1.055552  0.000000       1.055552  
1 1 1 -15 8  4  o 55.90508 1.085777  0.000000   0.000000 ?         ?        1603.000   62.20000 ?        ?         55.90508 1.085777  0.000000       1.085777  
1 1 1 -15 8  5  o 90.94154 1.609647  0.000000   0.000000 ?         ?        4247.000   150.0000 ?        ?         90.94154 1.609647  0.000000       1.609647  
1 1 1 -15 8  6  o 165.7283 1.357592  14094.72   230.5496 13651.40  441.6000 14579.00   482.4000 162.7367 2.648166  168.1146 2.800294  -5.377884      3.854144  
1 1 1 -15 8  7  o 72.26057 0.7191639 2676.487   53.25098 2603.100  114.3000 2740.500   99.70000 71.20351 1.566558  73.07999 1.331369  -1.876488      2.055881  
1 1 1 -15 8  8  o 63.22721 0.4843105 2048.635   31.37807 2007.000  50.60000 2116.600   82.60000 62.57093 0.7891863 64.23027 1.254995  -1.659340      1.482507  
1 1 1 -15 8  9  o 55.73259 0.4244450 1591.677   24.23980 1611.800  41.80000 1563.900   57.70000 56.07526 0.7274557 55.22348 1.019656  0.8517799      1.252553  
1 1 1 -15 8  10 o 139.3061 0.9453181 9950.655   134.9418 10064.30  230.1000 9789.500   326.3000 139.9956 1.603998  137.9035 2.309104  2.092148       2.811543  
1 1 1 -15 8  11 o 18.72337 0.6525171 179.9000   12.50000 179.9000  12.50000 ?          ?        18.72337 0.6525171 ?        ?         0.000000       0.6525171 
1 1 1 -15 8  12 o 42.86181 0.6192985 941.6000   27.20000 941.6000  27.20000 ?          ?        42.86181 0.6192985 ?        ?         0.000000       0.6192985 
1 1 1 -15 8  13 o 41.68652 0.6320766 890.7000   27.00000 890.7000  27.00000 ?          ?        41.68652 0.6320766 ?        ?         0.000000       0.6320766 
1 1 1 -15 8  14 o 37.27068 0.6231767 712.0000   23.80000 712.0000  23.80000 ?          ?        37.27068 0.6231767 ?        ?         0.000000       0.6231767 
1 1 1 -15 8  15 o 61.20652 0.7828623 1920.700   49.10000 1920.700  49.10000 ?          ?        61.20652 0.7828623 ?        ?         0.000000       0.7828623 
1 1 1 -15 8  16 o 53.61581 0.7444440 1473.800   40.90000 1473.800  40.90000 ?          ?        53.61581 0.7444440 ?        ?         0.000000       0.7444440 
1 1 1 -15 8  17 o 29.31471 0.7563186 440.9000   22.70000 440.9000  22.70000 ?          ?        29.31471 0.7563186 ?        ?         0.000000       0.7563186 
1 1 1 -15 8  18 f 67.51875 1.203988  2340.300   83.30000 2340.300  83.30000 ?          ?        67.51875 1.203988  ?        ?         0.000000       1.203988  
1 1 1 -15 8  19 o 67.20928 1.187752  2319.100   81.80000 2319.100  81.80000 ?          ?        67.20928 1.187752  ?        ?         0.000000       1.187752  
1 1 1 -15 8  20 o 35.39535 0.4540278 642.0958   16.46747 650.8000  31.10000 632.3000   35.00000 35.62007 0.8520543 35.09060 0.9743150 0.5294647      1.294328  
1 1 1 -15 8  21 o 53.89140 0.5413468 1488.734   29.89465 1612.900  59.00000 1361.200   60.60000 56.05860 1.027097  51.48788 1.148601  4.570721       1.540848  
1 1 1 -15 9  1  o 52.40165 1.054079  0.000000   0.000000 ?         ?        1409.100   56.60000 ?        ?         52.40165 1.054079  0.000000       1.054079  
1 1 1 -15 9  2  o 23.23194 1.099489  0.000000   0.000000 ?         ?        277.6000   26.10000 ?        ?         23.23194 1.099489  0.000000       1.099489  
1 1 1 -15 9  3  o 32.01207 0.7194487 0.000000   0.000000 ?         ?        525.4000   23.60000 ?        ?         32.01207 0.7194487 0.000000       0.7194487 
1 1 1 -15 9  4  f 9.830504 2.527444  0.000000   0.000000 ?         ?        51.80000   25.60000 ?        ?         9.830504 2.527444  0.000000       2.527444  
1 1 1 -15 9  5  o 83.65345 1.458236  0.000000   0.000000 ?         ?        3594.900   125.0000 ?        ?         83.65345 1.458236  0.000000       1.458236  
1 1 1 -15 9  6  o 25.14651 1.003266  0.000000   0.000000 ?         ?        324.9000   25.80000 ?        ?         25.14651 1.003266  0.000000       1.003266  
1 1 1 -15 9  7  o 45.96498 0.5058283 1082.826   23.82476 1106.500  47.80000 1059.300   47.50000 46.44333 1.004399  45.44108 1.020109  1.002247       1.431586  
1 1 1 -15 9  8  o 11.19535 1.757639  66.00000   19.50000 66.00000  19.50000 ?          ?        11.19535 1.757639  ?        ?         0.000000       1.757639  
1 1 1 -15 9  9  o 27.52950 1.190353  389.7000   33.50000 389.7000  33.50000 ?          ?        27.52950 1.190353  ?        ?         0.000000       1.190353  
1 1 1 -15 9  10 f 26.61151 0.6050845 363.0000   16.50000 363.0000  16.50000 ?          ?        26.61151 0.6050845 ?        ?         0.000000       0.6050845 
1 1 1 -15 9  11 o 54.50767 0.9506891 1524.000   53.10000 1524.000  53.10000 ?          ?        54.50767 0.9506891 ?        ?         0.000000       0.9506891 
1 1 1 -15 9  12 o 69.05073 1.156077  2447.200   81.80000 2447.200  81.80000 ?          ?        69.05073 1.156077  ?        ?         0.000000       1.156077  
1 1 1 -15 9  13 o 3.370189 1.543157  -8.500000  12.00000 -8.500000 12.00000 ?          ?        3.370189 1.543157  ?        ?         0.000000       1.543157  
1 1 1 -15 9  14 o 51.11393 0.9450778 1340.300   49.50000 1340.300  49.50000 ?          ?        51.11393 0.9450778 ?        ?         0.000000       0.9450778 
1 1 1 -15 9  15 o 40.32808 0.8179199 834.1000   33.80000 834.1000  33.80000 ?          ?        40.32808 0.8179199 ?        ?         0.000000       0.8179199 
1 1 1 -15 9  16 o 39.12736 0.4486709 784.6318   17.98899 774.0000  31.30000 799.0000   42.30000 38.84874 0.7862652 39.44259 1.047517  -0.5938568     1.309773  
1 1 1 -15 9  17 o 31.12678 0.4443056 496.5667   14.17145 416.5000  23.50000 618.2000   35.70000 28.48516 0.8059120 34.69276 1.005285  -6.207605      1.288445  
1 1 1 -15 9  18 o 17.33229 0.8698750 154.5000   15.40000 154.5000  15.40000 ?          ?        17.33229 0.8698750 ?        ?         0.000000       0.8698750 
1 1 1 -15 10 1  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -15 10 2  o 43.44142 1.031123  0.000000   0.000000 ?         ?        968.7000   45.90000 ?        ?         43.44142 1.031123  0.000000       1.031123  
1 1 1 -15 10 3  o 48.71735 1.019614  0.000000   0.000000 ?         ?        1218.200   50.90000 ?        ?         48.71735 1.019614  0.000000       1.019614  
1 1 1 -15 10 4  o 8.474290 2.437660  0.000000   0.000000 ?         ?        38.00000   22.30000 ?        ?         8.474290 2.437660  0.000000       2.437660  
1 1 1 -15 10 5  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -15 10 6  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -15 10 7  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -15 10 8  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -15 10 9  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -15 10 10 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -15 10 11 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -15 10 12 o 10.53235 2.184290  0.000000   0.000000 ?         ?        59.40000   22.80000 ?        ?         10.53235 2.184290  0.000000       2.184290  
1 1 1 -15 10 13 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -15 10 14 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -14 0  1  o 35.84826 0.9187738 659.8000   33.70000 659.8000  33.70000 659.8000   33.70000 35.84826 0.9187738 35.84826 0.9187738 0.000000       0.000000  
1 1 1 -14 0  2  o 13.73353 1.007560  98.20000   14.00000 98.20000  14.00000 98.20000   14.00000 13.73353 1.007560  13.73353 1.007560  0.000000       0.000000  
1 1 1 -14 0  3  o 128.4893 1.553714  8465.300   204.5000 8465.300  204.5000 8465.300   204.5000 128.4893 1.553714  128.4893 1.553714  0.000000       0.000000  
1 1 1 -14 0  4  o 219.9872 2.480506  24826.00   559.0000 24826.00  559.0000 24826.00   559.0000 219.9872 2.480506  219.9872 2.480506  0.000000       0.000000  
1 1 1 -14 0  5  o 54.89924 0.7949650 1545.300   44.70000 1545.300  44.70000 1545.300   44.70000 54.89924 0.7949650 54.89924 0.7949650 -0.000000      0.000000  
1 1 1 -14 0  6  o 137.8574 1.640017  9744.900   231.6000 9744.900  231.6000 9744.900   231.6000 137.8574 1.640017  137.8574 1.640017  -0.000000      0.000000  
1 1 1 -14 0  7  o 133.4772 1.603157  9135.400   219.2000 9135.400  219.2000 9135.400   219.2000 133.4772 1.603157  133.4772 1.603157  0.000000       0.000000  
1 1 1 -14 0  8  o 43.95185 0.7554274 990.7000   34.00000 990.7000  34.00000 990.7000   34.00000 43.95185 0.7554274 43.95185 0.7554274 -0.000000      0.000000  
1 1 1 -14 0  9  o 13.06671 0.9607028 88.90000   12.70000 88.90000  12.70000 88.90000   12.70000 13.06671 0.9607028 13.06671 0.9607028 0.000000       0.000000  
1 1 1 -14 0  10 o 156.3898 1.871392  12542.60   299.8000 12542.60  299.8000 12542.60   299.8000 156.3898 1.871392  156.3898 1.871392  -0.000000      0.000000  
1 1 1 -14 0  11 o 156.4717 1.855429  12555.60   297.4000 12555.60  297.4000 12555.60   297.4000 156.4717 1.855429  156.4717 1.855429  0.000000       0.000000  
1 1 1 -14 0  12 o 221.6645 2.513710  25207.40   570.8000 25207.40  570.8000 25207.40   570.8000 221.6645 2.513710  221.6645 2.513710  0.000000       0.000000  
1 1 1 -14 0  13 o 98.52684 1.298040  4977.500   131.0000 4977.500  131.0000 4977.500   131.0000 98.52684 1.298040  98.52684 1.298040  -0.000000      0.000000  
1 1 1 -14 0  14 o 244.8143 2.795583  30755.30   701.1000 30755.30  701.1000 30755.30   701.1000 244.8143 2.795583  244.8143 2.795583  0.000000       0.000000  
1 1 1 -14 0  15 o 76.88278 1.097200  3030.900   86.40000 3030.900  86.40000 3030.900   86.40000 76.88278 1.097200  76.88278 1.097200  -0.000000      0.000000  
1 1 1 -14 0  16 o 163.4767 1.924605  13706.10   322.3000 13706.10  322.3000 13706.10   322.3000 163.4767 1.924605  163.4767 1.924605  -0.000000      0.000000  
1 1 1 -14 0  17 o 5.779808 2.601736  24.80000   16.50000 24.80000  16.50000 24.80000   16.50000 5.779808 2.601736  5.779808 2.601736  0.000000       0.000000  
1 1 1 -14 0  18 f 20.40671 0.8885517 214.6000   18.50000 214.6000  18.50000 214.6000   18.50000 20.40671 0.8885517 20.40671 0.8885517 -0.000000      0.000000  
1 1 1 -14 0  19 o 68.56184 0.9498014 2410.200   66.70000 2410.200  66.70000 2410.200   66.70000 68.56184 0.9498014 68.56184 0.9498014 -0.000000      0.000000  
1 1 1 -14 0  20 o 31.44814 1.076562  508.6000   34.60000 508.6000  34.60000 508.6000   34.60000 31.44814 1.076562  31.44814 1.076562  0.000000       0.000000  
1 1 1 -14 0  21 o 115.8215 1.522296  6879.900   180.6000 6879.900  180.6000 6879.900   180.6000 115.8215 1.522296  115.8215 1.522296  0.000000       0.000000  
1 1 1 -14 0  22 o 48.69986 0.8683069 1216.500   43.30000 1216.500  43.30000 1216.500   43.30000 48.69986 0.8683069 48.69986 0.8683069 0.000000       0.000000  
1 1 1 -14 0  23 o 153.5615 1.815575  12096.80   285.6000 12096.80  285.6000 12096.80   285.6000 153.5615 1.815575  153.5615 1.815575  -0.000000      0.000000  
1 1 1 -14 0  24 o 8.930983 2.086727  47.00000   16.60000 47.00000  16.60000 47.00000   16.60000 8.930983 2.086727  8.930983 2.086727  -0.000000      0.000000  
1 1 1 -14 0  25 f 90.93147 1.162722  4240.300   108.3000 4240.300  108.3000 4240.300   108.3000 90.93147 1.162722  90.93147 1.162722  0.000000       0.000000  
1 1 1 -14 0  26 o 104.3822 1.387041  5589.300   148.3000 5589.300  148.3000 5589.300   148.3000 104.3822 1.387041  104.3822 1.387041  0.000000       0.000000  
1 1 1 -14 0  27 o 26.53444 0.7553396 361.7000   20.50000 361.7000  20.50000 361.7000   20.50000 26.53444 0.7553396 26.53444 0.7553396 0.000000       0.000000  
1 1 1 -14 0  28 o 52.25640 0.7884924 1400.500   42.20000 1400.500  42.20000 1400.500   42.20000 52.25640 0.7884924 52.25640 0.7884924 0.000000       0.000000  
1 1 1 -14 0  29 o 19.43161 0.8677665 194.7000   17.20000 194.7000  17.20000 194.7000   17.20000 19.43161 0.8677665 19.43161 0.8677665 -0.000000      0.000000  
1 1 1 -14 0  30 o 29.85985 1.035591  458.8000   31.60000 458.8000  31.60000 458.8000   31.60000 29.85985 1.035591  29.85985 1.035591  0.000000       0.000000  
1 1 1 -14 0  31 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -14 1  1  f 95.44054 0.8702481 4668.004   85.10878 4951.700  175.1000 4399.700   165.6000 98.26512 1.738955  92.62590 1.744735  5.639221       2.463344  
1 1 1 -14 1  2  o 117.0845 0.7093030 7024.750   85.10000 7084.300  170.2000 6965.200   170.2000 117.5541 1.412939  116.5612 1.424975  0.9929047      2.006727  
1 1 1 -14 1  3  o 196.9903 1.128720  19889.21   227.8397 19297.30  441.5000 20520.40   470.8000 193.9346 2.221658  199.9762 2.297522  -6.041672      3.195993  
1 1 1 -14 1  4  o 95.19601 0.5822719 4643.527   56.79929 4551.800  108.5000 4744.300   119.2000 94.23867 1.123575  96.20802 1.209112  -1.969345      1.650568  
1 1 1 -14 1  5  o 143.2352 0.8525953 10513.74   125.1385 10393.70  247.9000 10636.10   252.7000 142.3715 1.699241  144.0212 1.712302  -1.649689      2.412344  
1 1 1 -14 1  6  o 57.88031 0.4156099 1716.530   24.64990 1701.900  49.40000 1731.100   49.20000 57.62883 0.8365440 58.12125 0.8260983 -0.4924240     1.175689  
1 1 1 -14 1  7  o 138.3294 0.8408329 9805.823   119.1852 9648.800  246.0000 9953.400   231.2000 137.1717 1.750138  139.3287 1.619381  -2.157013      2.384403  
1 1 1 -14 1  8  o 131.9824 0.7910566 8926.425   106.9848 8578.700  204.3000 9308.700   224.6000 129.3542 1.541309  134.7403 1.626724  -5.386154      2.240951  
1 1 1 -14 1  9  o 114.0258 0.6947029 6662.449   81.17092 6712.300  163.5000 6613.300   161.2000 114.4278 1.394402  113.5812 1.385033  0.8465652      1.965368  
1 1 1 -14 1  10 o 188.4100 1.094788  18193.88   211.3646 18715.30  434.7000 17700.40   411.4000 190.9886 2.221180  185.7449 2.161469  5.243713       3.099288  
1 1 1 -14 1  11 o 93.48549 0.6239761 4478.224   59.77375 4303.100  114.3000 4670.200   125.3000 91.62485 1.217404  95.45096 1.281069  -3.826111      1.767260  
1 1 1 -14 1  12 o 73.71559 0.5154262 2784.332   38.93357 2657.100  76.30000 2916.900   79.50000 72.00317 1.034129  75.44129 1.028394  -3.438126      1.458430  
1 1 1 -14 1  13 o 123.6065 0.7689673 7829.377   97.39744 7638.100  195.8000 8018.700   193.8000 122.0536 1.565539  125.0606 1.512290  -3.006981      2.176679  
1 1 1 -14 1  14 o 211.6047 1.225808  22951.77   265.7946 22536.50  529.2000 23370.80   534.0000 209.5368 2.464683  213.3837 2.442203  -3.846832      3.469729  
1 1 1 -14 1  15 o 161.0894 0.9461522 13299.10   156.1803 12767.70  302.4000 13866.70   323.0000 157.7749 1.870447  164.4207 1.917113  -6.645752      2.678413  
1 1 1 -14 1  16 o 118.4312 0.7338746 7187.458   89.06079 7102.100  175.9000 7275.000   180.4000 117.6962 1.458495  119.1191 1.477939  -1.422958      2.076418  
1 1 1 -14 1  17 o 54.69817 0.4348018 1532.995   24.37039 1444.200  47.10000 1628.200   50.50000 53.08553 0.8658574 56.36575 0.8743346 -3.280220      1.230516  
1 1 1 -14 1  18 o 54.70436 0.3975508 1533.330   22.28502 1709.900  49.70000 1389.800   40.40000 57.76293 0.8396702 52.07746 0.7570651 5.685471       1.130572  
1 1 1 -14 1  19 o 60.33332 0.4429457 1865.149   27.38458 1873.800  56.10000 1856.900   53.50000 60.46622 0.9054232 60.19367 0.8673704 0.2725563      1.253843  
1 1 1 -14 1  20 o 82.58449 0.5310010 3494.725   44.93578 3609.400  93.40000 3388.400   86.60000 83.91383 1.086213  81.30584 1.039436  2.607986       1.503425  
1 1 1 -14 1  21 o 128.3562 0.7869102 8443.378   103.5000 8385.700  207.1000 8501.000   206.9000 127.8659 1.580618  128.7430 1.568334  -0.8771133     2.226662  
1 1 1 -14 1  22 o 76.34129 0.5232359 2986.362   40.93129 2863.800  76.30000 3128.200   88.30000 74.74590 0.9961822 78.11613 1.103117  -3.370232      1.486353  
1 1 1 -14 1  23 o 54.45272 0.4157785 1519.307   23.19957 1457.300  43.90000 1588.800   49.20000 53.32358 0.8034279 55.67608 0.8623789 -2.352501      1.178641  
1 1 1 -14 1  24 f 103.2296 0.6697712 5461.217   70.84827 5625.900  141.0000 5294.900   142.4000 104.7360 1.313787  101.6040 1.367732  3.132004       1.896503  
1 1 1 -14 1  25 o 62.57775 0.4790623 2006.656   30.71923 2231.100  68.80000 1825.600   55.50000 65.96741 1.017796  59.67640 0.9075947 6.291016       1.363685  
1 1 1 -14 1  26 o 46.77727 0.3675629 1121.197   17.61834 1278.200  38.20000 986.8000   32.70000 49.93723 0.7465184 43.87774 0.7272859 6.059494       1.042226  
1 1 1 -14 1  27 o 7.267750 1.138375  27.74482   8.199695 26.90000  16.30000 28.60000   16.50000 7.167320 2.090766  7.365233 2.089826  -0.1979132     2.956125  
1 1 1 -14 1  28 o 90.84393 0.6278996 4230.000   58.45000 4229.300  116.9000 4230.700   116.9000 90.77985 1.256686  90.79491 1.256477  -0.1506042E-01 1.777075  
1 1 1 -14 1  29 o 47.45838 0.4753290 1154.289   23.11562 1343.400  61.60000 1040.700   37.00000 51.16236 1.174984  45.05130 0.8014861 6.111061       1.422310  
1 1 1 -14 1  30 o 57.97509 0.6526907 1723.097   38.77460 1783.900  77.30000 1661.900   77.80000 58.93929 1.279901  56.88250 1.334758  2.056789       1.849250  
1 1 1 -14 2  1  o 109.0885 0.9384534 6098.767   104.9035 5996.200  200.6000 6211.200   219.9000 108.1283 1.810478  110.0410 1.950169  -1.912743      2.661014  
1 1 1 -14 2  2  o 130.3419 0.7717377 8705.894   103.0747 8643.200  205.8000 8768.800   206.5000 129.8370 1.546851  130.7773 1.540952  -0.9403229     2.183411  
1 1 1 -14 2  3  o 209.4012 1.188632  22475.42   255.0499 22086.30  509.8000 22865.00   510.4000 207.4480 2.398237  211.0790 2.359757  -3.630997      3.364520  
1 1 1 -14 2  4  o 164.2526 0.9513288 13826.37   160.1184 14207.70  324.8000 13455.60   315.8000 166.4358 1.904455  161.9709 1.902729  4.464966       2.692086  
1 1 1 -14 2  5  o 113.1963 0.6858121 6565.874   79.54922 6621.200  158.6000 6510.200   159.6000 113.6494 1.361877  112.6918 1.382109  0.9575729      1.940344  
1 1 1 -14 2  6  o 99.13997 0.6167967 5036.326   62.65983 5000.000  123.4000 5073.800   127.3000 98.76597 1.219297  99.49113 1.248664  -0.7251663     1.745235  
1 1 1 -14 2  7  o 158.2217 0.9434203 12829.57   152.9571 13546.40  319.9000 12172.80   293.1000 162.5159 1.920967  154.0616 1.856620  8.454300       2.671545  
1 1 1 -14 2  8  o 79.86036 0.5285845 3267.880   43.25577 3098.700  78.20000 3477.300   96.80000 77.75797 0.9814394 82.36716 1.146893  -4.609192      1.509499  
1 1 1 -14 2  9  o 41.58745 0.3462726 886.1518   14.75635 967.7000  30.60000 810.2000   28.50000 43.45665 0.6871741 39.76316 0.6994643 3.693489       0.9805399 
1 1 1 -14 2  10 o 146.9695 0.8725618 11069.30   131.4080 11339.90  267.6000 10808.20   258.2000 148.7043 1.756161  145.1777 1.735633  3.526520       2.469114  
1 1 1 -14 2  11 o 29.49722 0.3515700 445.8065   10.62653 485.8000  22.30000 409.4000   20.30000 30.79019 0.7067960 28.26559 0.7008733 2.524599       0.9953813 
1 1 1 -14 2  12 o 137.1875 0.8385973 9644.699   117.8871 9939.700  243.3000 9367.400   228.7000 139.2238 1.705416  135.1600 1.651276  4.063812       2.373848  
1 1 1 -14 2  13 o 90.91779 0.5806733 4235.559   54.09774 4327.600  108.9000 4144.700   107.5000 91.88636 1.156587  89.92335 1.166642  1.963013       1.642787  
1 1 1 -14 2  14 o 151.1309 0.8991141 11705.33   139.2408 11983.40  285.5000 11440.60   271.8000 152.8561 1.822742  149.3580 1.775917  3.498108       2.544851  
1 1 1 -14 2  15 o 63.57690 0.4653083 2071.081   30.31367 2119.500  62.80000 2025.900   58.60000 64.30872 0.9529967 62.87351 0.9095604 1.435204       1.317385  
1 1 1 -14 2  16 o 97.62641 0.6343939 4883.823   63.46359 5095.300  131.0000 4685.100   123.1000 99.69749 1.282297  95.60122 1.256598  4.096275       1.795362  
1 1 1 -14 2  17 o 102.4012 0.6386612 5373.269   67.01533 5240.000  127.8000 5520.200   140.9000 101.1044 1.233566  103.7683 1.325098  -2.663895      1.810406  
1 1 1 -14 2  18 o 28.04423 0.4176227 402.9788   12.00124 380.1000  21.80000 431.0000   26.70000 27.22317 0.7822942 28.98566 0.9000285 -1.762495      1.192491  
1 1 1 -14 2  19 o 75.60066 0.5353920 2928.643   41.47590 3086.200  85.00000 2778.500   81.00000 77.59514 1.069021  73.62527 1.073643  3.969872       1.515095  
1 1 1 -14 2  20 o 105.4859 0.6628594 5702.109   71.64969 5698.200  143.6000 5706.000   143.0000 105.4211 1.329316  105.4936 1.322852  -0.7250214E-01 1.875372  
1 1 1 -14 2  21 o 149.5598 0.8892808 11464.42   136.2863 11769.30  283.1000 11181.40   262.8000 151.4493 1.824208  147.6285 1.737228  3.820801       2.519066  
1 1 1 -14 2  22 o 85.41248 0.5736135 3738.349   50.20408 3644.700  98.40000 3835.900   102.5000 84.31625 1.138900  86.49873 1.156420  -2.182487      1.623084  
1 1 1 -14 2  23 f 105.1828 0.6771517 5669.768   72.98427 5597.700  141.0000 5747.100   151.3000 104.4764 1.317051  105.8554 1.394850  -1.379044      1.918392  
1 1 1 -14 2  24 o 56.07330 0.4026696 1611.103   23.13680 1500.000  42.70000 1742.500   50.50000 54.09828 0.7702755 58.30534 0.8452491 -4.207058      1.143578  
1 1 1 -14 2  25 o 12.82297 0.6522840 84.48772   8.542690 54.20000  16.60000 116.6000   17.60000 10.14573 1.653612  15.03497 1.151137  -4.889238      2.014832  
1 1 1 -14 2  26 o 48.66197 0.3926280 1213.391   19.57804 1327.300  42.50000 1116.100   36.30000 50.88457 0.8150880 46.66252 0.7591718 4.222046       1.113872  
1 1 1 -14 2  27 o 60.43208 0.4400966 1871.473   27.25298 1774.800  53.00000 1973.800   56.10000 58.83437 0.8791165 62.04500 0.8823842 -3.210632      1.245571  
1 1 1 -14 2  28 o 36.26124 0.3897716 673.7932   14.48276 609.2000  28.00000 743.0000   30.00000 34.47029 0.7927106 38.06872 0.7690500 -3.598427      1.104458  
1 1 1 -14 2  29 o 29.01535 0.4283570 431.4460   12.73597 458.6000  31.90000 413.4000   21.20000 29.87895 1.043504  28.38634 0.7294375 1.492611       1.273177  
1 1 1 -14 2  30 o 37.14631 0.5135958 707.2375   19.54949 704.8000  38.90000 709.7000   39.30000 37.04700 1.025690  37.17509 1.032674  -0.1280823     1.455492  
1 1 1 -14 3  1  o 49.36731 0.3984334 1248.731   20.15550 1217.200  32.60000 1299.800   52.80000 48.73801 0.6527568 50.35966 1.023182  -1.621655      1.213669  
1 1 1 -14 3  2  o 65.74752 0.5279572 2214.953   35.56940 2171.300  59.70000 2279.300   88.00000 65.09115 0.8950639 66.68147 1.287891  -1.590317      1.568376  
1 1 1 -14 3  3  o 135.4126 0.7867008 9396.553   109.1608 9827.500  226.4000 8995.300   210.8000 138.4420 1.595916  132.4534 1.553135  5.988586       2.226921  
1 1 1 -14 3  4  o 86.92025 0.5367326 3871.224   47.80543 4036.700  99.40000 3717.900   92.10000 88.74632 1.093044  85.17091 1.055285  3.575409       1.519333  
1 1 1 -14 3  5  o 93.01692 0.5817546 4433.396   55.44982 4486.800  110.7000 4379.800   111.1000 93.56144 1.154655  92.43850 1.172905  1.122940       1.645884  
1 1 1 -14 3  6  o 28.35612 0.3288161 411.9800   9.554286 434.4000  20.90000 393.1000   17.60000 29.11580 0.7005178 27.69761 0.6201147 1.418190       0.9355573 
1 1 1 -14 3  7  o 83.72589 0.5315979 3591.905   45.60804 3743.200  95.50000 3453.600   87.30000 85.45938 1.090549  82.08836 1.037849  3.371025       1.505466  
1 1 1 -14 3  8  o 156.7834 0.9051554 12597.25   145.4191 12194.80  283.2000 13022.00   298.9000 154.2032 1.792262  159.3441 1.830592  -5.140839      2.561888  
1 1 1 -14 3  9  o 184.3427 1.061894  17416.79   200.5882 17971.70  409.7000 16884.50   393.0000 187.1592 2.136272  181.4123 2.114109  5.746841       3.005514  
1 1 1 -14 3  10 o 92.31721 0.5902238 4366.966   55.83389 4132.000  105.9000 4629.000   118.1000 89.78596 1.151037  95.03033 1.212800  -5.244370      1.672056  
1 1 1 -14 3  11 o 173.5636 1.015855  15439.17   180.6711 15010.60  351.1000 15893.50   372.2000 171.0593 2.003023  176.0114 2.063655  -4.952164      2.875895  
1 1 1 -14 3  12 o 111.8318 0.6839206 6408.582   78.37349 6780.700  161.8000 6059.000   152.0000 115.0074 1.372949  108.7153 1.364441  6.292130       1.935636  
1 1 1 -14 3  13 o 304.0863 1.687424  47419.03   525.7986 46690.20  1037.200 48168.40   1066.400 301.3393 3.358988  306.0588 3.400297  -4.719543      4.779625  
1 1 1 -14 3  14 f 92.04592 0.5850616 4341.358   55.18289 4366.300  107.4000 4315.000   113.5000 92.29577 1.135597  91.74948 1.207241  0.5462875      1.657411  
1 1 1 -14 3  15 o 183.7641 1.042750  17307.98   196.3537 17913.60  401.6000 16728.60   384.2000 186.8488 2.097514  180.5656 2.076462  6.283203       2.951484  
1 1 1 -14 3  16 o 109.6285 0.6970032 6158.680   78.29908 5944.400  153.8000 6380.900   159.5000 107.6776 1.393903  111.5610 1.395244  -3.883308      1.972225  
1 1 1 -14 3  17 o 61.40367 0.4396159 1931.910   27.66088 1984.300  54.10000 1877.100   56.60000 62.22480 0.8484677 60.51943 0.9126899 1.705376       1.246154  
1 1 1 -14 3  18 o 72.56364 0.4762572 2698.011   35.41269 2836.100  73.20000 2568.600   68.60000 74.38763 0.9603111 70.79304 0.9456604 3.594597       1.347765  
1 1 1 -14 3  19 o 70.57216 0.4805005 2551.974   34.74766 2391.600  67.60000 2721.600   71.50000 68.30891 0.9657640 72.86964 0.9575492 -4.560730      1.360000  
1 1 1 -14 3  20 o 92.51004 0.5899349 4385.445   55.92311 4490.100  112.5000 4282.000   111.2000 93.58587 1.173124  91.39077 1.187419  2.195099       1.669187  
1 1 1 -14 3  21 o 97.33865 0.6209909 4855.333   61.93969 5215.400  132.0000 4537.000   116.7000 100.8534 1.277277  94.06940 1.210665  6.784012       1.759871  
1 1 1 -14 3  22 o 119.6848 0.7205641 7341.158   88.37105 7582.600  180.0000 7108.300   173.6000 121.5871 1.444730  117.7235 1.439091  3.863602       2.039173  
1 1 1 -14 3  23 o 80.91344 0.5371361 3354.931   44.53520 3230.800  85.80000 3488.900   92.60000 79.38320 1.054776  82.49101 1.095484  -3.107811      1.520736  
1 1 1 -14 3  24 o 61.07259 0.4390904 1911.245   27.47886 1992.000  57.90000 1838.300   52.30000 62.33658 0.9064361 59.88528 0.8522817 2.451298       1.244191  
1 1 1 -14 3  25 o 39.13709 0.3530370 784.8495   14.15817 683.6000  26.50000 901.0000   30.40000 36.52031 0.7081300 41.92722 0.7075859 -5.406902      1.001062  
1 1 1 -14 3  26 o 42.24467 0.3856862 914.4697   16.69569 830.9000  30.70000 1014.100   36.60000 40.26093 0.7441427 44.47667 0.8030645 -4.215744      1.094834  
1 1 1 -14 3  27 f 16.09463 0.6135904 132.9632   10.10094 120.2000  16.60000 152.8000   25.80000 15.27057 1.067576  17.18666 1.479356  -1.916088      1.824339  
1 1 1 -14 3  28 o 44.25558 0.5215741 1003.802   23.65280 1092.500  45.90000 909.5000   48.80000 46.15068 0.9705908 42.08455 1.132645  4.066139       1.491620  
1 1 1 -14 3  29 o 2.810081 1.333827  -12.92747  10.36771 -35.10000 21.30000 8.100000   20.20000 3.740860 1.810662  5.700155 2.281273  -1.959296      2.912508  
1 1 1 -14 3  30 o 5.837584 2.208174  12.60000   18.10000 12.60000  18.10000 ?          ?        5.837584 2.208174  ?        ?         0.000000       2.208174  
1 1 1 -14 4  1  o 117.3204 0.8750283 7053.857   105.1947 6281.800  144.8000 9104.500   384.6000 110.6979 1.276529  133.1271 2.819321  -22.42918      3.094850  
1 1 1 -14 4  2  o 62.79990 0.7230580 2020.976   46.52972 2775.700  146.9000 1671.100   68.10000 73.53223 1.951325  57.09790 1.163935  16.43432       2.272095  
1 1 1 -14 4  3  o 75.09352 0.4797650 2889.387   36.91726 2851.500  71.70000 2929.600   76.10000 74.59167 0.9380595 75.60523 0.9822780 -1.013557      1.358244  
1 1 1 -14 4  4  o 155.7866 0.9020457 12437.76   143.9982 12453.20  296.8000 12423.20   279.7000 155.8173 1.858873  155.6390 1.753782  0.1783142      2.555614  
1 1 1 -14 4  5  o 56.76535 0.3891605 1651.034   22.63656 1735.000  47.80000 1575.500   43.00000 58.18636 0.8016935 55.44794 0.7568061 2.738411       1.102483  
1 1 1 -14 4  6  o 70.94434 0.4659693 2578.896   33.87454 2661.700  68.00000 2496.700   67.50000 72.06709 0.9208176 69.79715 0.9437734 2.269936       1.318565  
1 1 1 -14 4  7  o 103.8813 0.6174008 5529.623   65.72081 5594.500  130.4000 5463.700   132.5000 104.4707 1.218105  103.2408 1.252467  1.229881       1.747127  
1 1 1 -14 4  8  o 161.3231 0.9250343 13337.66   152.9160 13339.10  303.5000 13336.20   308.2000 161.2674 1.836596  161.2472 1.865272  0.2023315E-01  2.617695  
1 1 1 -14 4  9  o 137.3760 0.8143352 9671.237   114.6337 9913.700  233.7000 9437.800   225.0000 139.0425 1.640261  135.6656 1.618506  3.376831       2.304347  
1 1 1 -14 4  10 o 31.10395 0.3323918 495.6955   10.59410 468.6000  20.70000 524.1000   21.70000 30.24028 0.6680150 31.98101 0.6621695 -1.740734      0.9405916 
1 1 1 -14 4  11 o 46.20392 0.3656097 1093.818   17.30992 974.5000  30.40000 1251.600   40.20000 43.60877 0.6803014 49.42013 0.7938232 -5.811356      1.045450  
1 1 1 -14 4  12 o 37.14283 0.3250336 706.8600   12.37091 776.3000  25.20000 639.9000   24.30000 38.92260 0.6318301 35.33780 0.6710709 3.584805       0.9217079 
1 1 1 -14 4  13 f 16.82631 0.4508635 145.1735   7.766774 148.6000  14.30000 141.1000   17.00000 17.00859 0.8229246 16.56173 1.006468  0.4468613      1.300070  
1 1 1 -14 4  14 o 168.6392 0.9741251 14575.65   168.3339 14399.40  327.2000 14762.40   346.7000 167.5389 1.905896  169.6274 1.994616  -2.088501      2.758792  
1 1 1 -14 4  15 o 63.42869 0.4622928 2061.450   30.04701 2228.400  60.70000 1897.800   59.50000 65.94018 0.8983390 60.85143 0.9542185 5.088753       1.310552  
1 1 1 -14 4  16 o 112.9003 0.6781008 6531.807   78.44904 6400.100  153.0000 6670.400   161.0000 111.7285 1.336378  114.0610 1.377496  -2.332573      1.919219  
1 1 1 -14 4  17 o 38.52770 0.3576791 760.5655   14.12099 811.9000  30.10000 715.2000   26.60000 39.80341 0.7379856 37.35838 0.6948566 2.445026       1.013631  
1 1 1 -14 4  18 o 40.00299 0.3508888 819.9286   14.38336 898.8000  30.40000 749.1000   27.30000 41.87946 0.7083928 38.23322 0.6968244 3.646236       0.9936723 
1 1 1 -14 4  19 o 47.91795 0.3684849 1176.500   18.09323 1100.400  35.50000 1255.600   36.90000 46.33780 0.7476435 49.49812 0.7275105 -3.160324      1.043189  
1 1 1 -14 4  20 o 51.46766 0.4047874 1357.288   21.34813 1313.700  42.30000 1401.700   43.10000 50.62832 0.8153582 52.29678 0.8042739 -1.668453      1.145280  
1 1 1 -14 4  21 o 40.95124 0.3735358 859.2804   15.67464 821.4000  31.50000 896.8000   31.20000 40.03361 0.7678696 41.83137 0.7278705 -1.797764      1.058026  
1 1 1 -14 4  22 o 144.6032 0.9895424 10719.57   146.6259 10619.30  250.0000 10861.80   354.6000 143.8440 1.696094  145.3565 2.380708  -1.512466      2.923098  
1 1 1 -14 4  23 f 60.45279 0.4946612 1872.714   30.64238 1753.000  49.90000 2063.200   79.40000 58.47996 0.8327125 63.42669 1.221659  -4.946724      1.478466  
1 1 1 -14 4  24 o 87.01610 0.6417032 3880.627   57.21793 4081.200  102.7000 3628.300   129.2000 89.20802 1.123487  84.08155 1.499559  5.126465       1.873739  
1 1 1 -14 4  25 o 100.6626 0.7278455 5194.036   75.07683 5263.100  128.9000 5097.700   179.8000 101.2851 1.241964  99.61347 1.761462  1.671654       2.155277  
1 1 1 -14 4  26 o 60.60023 0.5109965 1882.060   31.73150 2067.200  60.20000 1675.700   67.10000 63.49157 0.9252989 57.15065 1.145785  6.340923       1.472753  
1 1 1 -14 4  27 o 14.80283 0.6609270 112.5500   10.00000 133.3000  20.00000 91.80000   20.00000 16.06936 1.223804  13.28488 1.495105  2.784477       1.932107  
1 1 1 -14 4  28 o 38.93295 0.5149203 776.8888   20.54262 897.8000  46.50000 681.2000   36.80000 41.81322 1.086198  36.42576 0.9868271 5.387455       1.467533  
1 1 1 -14 4  29 o 31.20242 0.4941583 499.0039   15.79984 516.0000  31.50000 481.9000   31.70000 31.69794 0.9709423 30.62851 1.011419  1.069433       1.402033  
1 1 1 -14 5  1  o 109.4895 0.7408457 6143.310   83.11871 5867.700  129.9000 6633.000   230.8000 106.9883 1.184880  113.6982 1.980997  -6.709915      2.308309  
1 1 1 -14 5  2  o 104.6374 0.7153826 5610.764   76.70499 5741.400  128.5000 5417.300   190.3000 105.8316 1.184921  102.7668 1.807123  3.064804       2.160956  
1 1 1 -14 5  3  o 105.1563 0.7311627 5666.577   78.78576 5503.400  129.0000 5922.600   202.4000 103.6140 1.214991  107.4518 1.838224  -3.837784      2.203468  
1 1 1 -14 5  4  o 112.3319 0.6610899 6466.076   76.09602 6503.900  151.1000 6427.700   153.3000 112.6349 1.309162  111.9717 1.336089  0.6631546      1.870572  
1 1 1 -14 5  5  o 64.45998 0.4234484 2129.000   27.96978 2319.100  59.10000 1958.200   53.10000 67.26984 0.8573707 61.81468 0.8383098 5.455166       1.199103  
1 1 1 -14 5  6  o 127.9944 0.7498399 8395.260   98.34624 8605.000  201.4000 8195.100   192.2000 129.5446 1.517196  126.4237 1.483633  3.120895       2.122039  
1 1 1 -14 5  7  o 128.9402 0.7480932 8519.790   98.84224 8276.200  190.7000 8781.900   205.2000 127.0490 1.464809  130.8686 1.530183  -3.819595      2.118284  
1 1 1 -14 5  8  o 28.49700 0.3375373 416.0867   9.856423 383.4000  18.20000 454.7000   21.50000 27.35334 0.6493258 29.78799 0.7043668 -2.434652      0.9579962 
1 1 1 -14 5  9  o 128.1443 0.7582346 8414.993   99.56380 8073.200  188.6000 8797.200   210.9000 125.4807 1.466785  130.9792 1.571360  -5.498528      2.149565  
1 1 1 -14 5  10 o 63.59622 0.4104461 2072.319   26.74766 2113.500  54.00000 2031.900   53.00000 64.21932 0.8205965 62.96739 0.8214135 1.251934       1.161077  
1 1 1 -14 5  11 o 36.78714 0.3890783 693.4000   14.66667 660.6000  26.40000 734.4000   33.00000 35.90422 0.7175630 37.85529 0.8507247 -1.951069      1.112937  
1 1 1 -14 5  12 o 49.04278 0.8118703 0.000000   0.000000 ?         ?        1232.600   40.80000 ?        ?         49.04278 0.8118703 0.000000       0.8118703 
1 1 1 -14 5  13 o 135.1063 0.7905711 9354.521   109.4498 8858.900  207.6000 9907.200   231.5000 131.4353 1.541406  138.9875 1.625462  -7.552261      2.240103  
1 1 1 -14 5  14 o 37.62811 0.3292491 725.4565   12.69508 808.0000  25.90000 646.1000   24.90000 39.70885 0.6365229 35.50800 0.6843445 4.200855       0.9346062 
1 1 1 -14 5  15 o 151.1547 0.8830740 11709.80   136.7782 11297.20  264.2000 12152.70   283.6000 148.4001 1.737402  153.9097 1.798215  -5.509644      2.500429  
1 1 1 -14 5  16 o 139.0151 0.8152552 9904.139   116.1325 9749.800  226.8000 10066.10   238.0000 137.8709 1.605359  140.0842 1.658018  -2.213348      2.307856  
1 1 1 -14 5  17 o 36.38740 0.3503765 678.4144   13.06425 653.5000  25.40000 704.8000   26.90000 35.71003 0.6941368 37.08502 0.7078731 -1.374985      0.9914183 
1 1 1 -14 5  18 f 117.9672 0.8343251 7132.443   100.8545 7025.300  169.7000 7289.400   248.6000 117.0407 1.414968  119.1583 2.036003  -2.117599      2.479404  
1 1 1 -14 5  19 o 88.35773 0.6626517 4000.884   59.99682 4164.500  104.6000 3780.800   140.7000 90.12669 1.132609  85.84616 1.599465  4.280525       1.959870  
1 1 1 -14 5  20 o 122.0331 0.8510143 7633.142   106.4175 7501.400  179.3000 7825.500   261.8000 120.9282 1.446953  123.4358 2.069808  -2.507660      2.525426  
1 1 1 -14 5  21 o 76.75391 0.5754194 3018.976   45.25675 3006.100  78.70000 3036.400   106.5000 76.57384 1.002988  76.93901 1.350842  -0.3651733     1.682486  
1 1 1 -14 5  22 o 74.66290 0.5622234 2856.758   43.01423 2878.800  75.20000 2827.300   100.5000 74.93364 0.9793605 74.24009 1.321080  0.6935501      1.644506  
1 1 1 -14 5  23 o 99.22189 0.6902239 5045.985   70.17718 5267.200  126.9000 4772.300   157.0000 101.3330 1.222116  96.41600 1.589103  4.917007       2.004699  
1 1 1 -14 5  24 o 59.00772 0.5038142 1784.373   30.46334 1955.700  56.80000 1586.200   65.70000 61.76025 0.8975132 55.60762 1.153009  6.152634       1.461150  
1 1 1 -14 5  25 o 74.19872 0.5886754 2821.759   44.75800 2760.300  73.40000 2917.800   114.7000 73.36275 0.9763871 75.37700 1.484999  -2.014244      1.777232  
1 1 1 -14 5  26 o 44.96216 0.5056620 1036.088   23.29732 1037.200  47.10000 1035.000   46.10000 44.96488 1.022231  44.91829 1.001565  0.4658508E-01  1.431115  
1 1 1 -14 5  27 o 22.16430 0.5506440 251.8006   12.50614 196.9000  22.80000 318.5000   27.70000 19.55304 1.142931  24.88887 1.088750  -5.335836      1.578502  
1 1 1 -14 5  28 o 15.51083 0.5470729 123.4738   8.681565 116.2000  21.00000 128.6000   14.80000 14.97477 1.384210  15.80635 0.9177057 -0.8315744     1.660790  
1 1 1 -14 6  1  f 52.02174 1.381909  0.000000   0.000000 ?         ?        1388.700   73.60000 ?        ?         52.02174 1.381909  0.000000       1.381909  
1 1 1 -14 6  2  o 42.35752 0.9584389 0.000000   0.000000 ?         ?        919.6000   41.60000 ?        ?         42.35752 0.9584389 0.000000       0.9584389 
1 1 1 -14 6  3  o 10.47489 0.5996098 56.40944   6.409119 59.60000  8.900000 48.20000   22.90000 10.75327 0.8137412 9.502159 2.362046  1.251116       2.498286  
1 1 1 -14 6  4  o 80.84674 0.5965658 3349.314   49.42188 3303.600  80.00000 3423.200   129.3000 80.28353 0.9724452 81.70006 1.544464  -1.416527      1.825108  
1 1 1 -14 6  5  o 114.6587 0.6649190 6736.875   78.12212 6806.300  155.3000 6666.600   157.2000 115.2185 1.315379  114.0281 1.345372  1.190369       1.881554  
1 1 1 -14 6  6  o 131.9740 0.7617384 8925.742   103.0131 8821.600  202.2000 9033.900   210.0000 131.1582 1.504483  132.7239 1.544087  -1.565674      2.155846  
1 1 1 -14 6  7  o 100.0232 0.6027611 5126.632   61.77950 5457.000  130.4000 4829.200   117.4000 103.1722 1.233436  97.05866 1.180417  6.113533       1.707263  
1 1 1 -14 6  8  o 62.58742 0.4227209 2007.119   27.11060 1929.500  53.00000 2088.400   55.50000 61.35885 0.8429470 63.83529 0.8484646 -2.476440      1.196015  
1 1 1 -14 6  9  o 88.88499 0.5417277 4048.331   49.34098 3888.600  93.80000 4225.600   104.1000 87.09975 1.050963  90.79287 1.118924  -3.693123      1.535095  
1 1 1 -14 6  10 o 85.03647 0.5312302 3705.345   46.28991 3869.800  95.20000 3549.700   90.10000 86.88787 1.069250  83.21719 1.056607  3.670677       1.503235  
1 1 1 -14 6  11 o 31.83659 0.9051869 0.000000   0.000000 ?         ?        519.9000   29.50000 ?        ?         31.83659 0.9051869 0.000000       0.9051869 
1 1 1 -14 6  12 o 62.97124 0.4402601 2031.837   28.40860 1962.600  54.20000 2108.100   59.70000 61.88191 0.8547462 64.13346 0.9084296 -2.251549      1.247331  
1 1 1 -14 6  13 o 92.30849 0.5649493 4366.295   53.43791 4307.800  102.2000 4430.400   112.0000 91.67049 1.087985  92.96172 1.175751  -1.291229      1.601906  
1 1 1 -14 6  14 o 54.22536 0.4424232 1506.652   24.58322 1502.100  43.40000 1512.600   56.70000 54.13812 0.7823268 54.32161 1.018620  -0.1834908     1.284376  
1 1 1 -14 6  15 o 88.19487 0.6285439 3986.009   56.80379 3988.200  99.60000 3983.100   132.2000 88.20161 1.102007  88.12537 1.463970  0.7624054E-01  1.832383  
1 1 1 -14 6  16 o 77.76415 0.5804467 3098.854   46.25303 3138.500  79.50000 3043.700   110.6000 78.24724 0.9915160 77.03737 1.401055  1.209869       1.716409  
1 1 1 -14 6  17 o 23.87744 0.6626294 292.4017   16.19708 166.8000  22.20000 631.3000   59.90000 17.99555 1.210948  35.03614 1.673283  -17.04059      2.065495  
1 1 1 -14 6  18 f 45.59547 0.5020128 1065.309   23.45497 813.5000  28.50000 2236.000   132.5000 39.84124 0.6980935 65.95895 1.962579  -26.11771      2.083039  
1 1 1 -14 6  19 o 67.42110 0.5236861 2329.354   36.17972 2417.300  64.50000 2217.000   82.40000 68.66978 0.9166334 65.74961 1.223026  2.920166       1.528401  
1 1 1 -14 6  20 o 60.09753 0.4894803 1850.774   30.14326 1864.800  51.10000 1830.600   73.50000 60.31559 0.8267856 59.74435 1.200583  0.5712433      1.457729  
1 1 1 -14 6  21 o 51.17276 0.4429485 1341.872   23.22686 1299.500  40.10000 1400.200   55.20000 50.35051 0.7772168 52.25582 1.030875  -1.905315      1.291034  
1 1 1 -14 6  22 o 36.80149 0.4006233 693.9994   15.10776 776.5000  28.70000 602.3000   31.90000 38.92153 0.7196041 34.26221 0.9094129 4.659321       1.159682  
1 1 1 -14 6  23 o 91.01646 0.7215558 4246.519   67.29584 4158.600  116.2000 4367.500   159.9000 90.02165 1.259681  92.19653 1.692527  -2.174873      2.109845  
1 1 1 -14 6  24 o 15.75326 0.5639459 127.3564   9.088767 101.1000  19.40000 150.5000   17.10000 13.96545 1.373401  17.10171 0.9798963 -3.136256      1.687136  
1 1 1 -14 6  25 f 45.63850 0.4094158 1067.394   19.14672 956.6000  43.50000 1154.500   34.20000 43.18287 0.9830586 47.45421 0.7033201 -4.271343      1.208745  
1 1 1 -14 6  26 o 60.07519 0.4921262 1849.734   30.29493 1924.700  79.10000 1803.200   49.10000 61.22144 1.260882  59.29729 0.8080688 1.924152       1.497598  
1 1 1 -14 6  27 o 32.19189 0.4308984 531.1140   14.21411 645.4000  33.30000 446.0000   24.80000 35.45680 0.9172995 29.47715 0.8218488 5.979656       1.231614  
1 1 1 -14 7  1  o 22.38527 0.8428942 0.000000   0.000000 ?         ?        257.2000   19.30000 ?        ?         22.38527 0.8428942 0.000000       0.8428942 
1 1 1 -14 7  2  o 8.312839 2.437160  0.000000   0.000000 ?         ?        36.10000   22.10000 ?        ?         8.312839 2.437160  0.000000       2.437160  
1 1 1 -14 7  3  o 61.66887 1.234327  0.000000   0.000000 ?         ?        1950.000   78.00000 ?        ?         61.66887 1.234327  0.000000       1.234327  
1 1 1 -14 7  4  o 30.37630 0.5654035 472.8319   17.59915 553.3000  36.60000 398.3000   33.90000 32.83448 1.089317  27.84663 1.190783  4.987846       1.613869  
1 1 1 -14 7  5  o 40.96753 0.5260081 860.0167   22.08161 1003.800  50.40000 747.9000   39.30000 44.23547 1.112773  38.18386 1.005292  6.051601       1.499625  
1 1 1 -14 7  6  o 115.5760 0.7847577 6845.953   92.93977 6642.800  155.1000 7149.700   231.9000 113.8163 1.329870  118.0242 1.917482  -4.207909      2.333515  
1 1 1 -14 7  7  o 47.50227 0.4010537 1156.195   19.52160 1211.100  33.70000 1080.600   46.40000 48.61356 0.6765098 45.91404 0.9862206 2.699516       1.195950  
1 1 1 -14 7  8  o 165.2206 1.110888  13994.53   188.0757 13756.90  311.1000 14357.80   475.6000 163.7239 1.854341  167.0874 2.777793  -3.363495      3.339867  
1 1 1 -14 7  9  o 124.6073 0.8449488 7958.069   107.8878 7850.500  179.6000 8119.900   270.2000 123.7230 1.416633  125.7542 2.096836  -2.031227      2.530528  
1 1 1 -14 7  10 o 166.3689 1.104826  14189.81   188.3496 14527.00  325.4000 13726.40   447.2000 168.2361 1.887557  163.3897 2.671030  4.846405       3.270668  
1 1 1 -14 7  11 o 113.9842 1.334760  6662.700   155.9000 6662.700  155.9000 ?          ?        113.9842 1.334760  ?        ?         0.000000       1.334760  
1 1 1 -14 7  12 o 142.7242 0.9618414 10441.73   140.6694 10634.50  244.2000 10179.80   331.8000 143.9679 1.655318  140.7635 2.300319  3.204468       2.833998  
1 1 1 -14 7  13 o 96.55811 0.6712305 4778.048   66.41387 4767.500  113.9000 4792.800   159.3000 96.42883 1.152706  96.65187 1.608448  -0.2230377     1.978847  
1 1 1 -14 7  14 o 34.33503 0.3642339 604.0538   12.81493 566.4000  21.20000 661.6000   32.40000 33.24529 0.6223109 35.92683 0.8800914 -2.681538      1.077883  
1 1 1 -14 7  15 o 16.51156 0.5140651 139.8407   8.687105 139.0000  16.30000 140.8000   18.60000 16.43782 0.9720494 16.53467 1.104117  -0.9684944E-01 1.471038  
1 1 1 -14 7  16 o 30.40016 0.3612604 473.5394   11.25368 470.6000  19.40000 477.6000   26.80000 30.30316 0.6247633 30.51230 0.8580110 -0.2091465     1.061373  
1 1 1 -14 7  17 o 40.04335 0.3988892 821.6296   16.36745 756.9000  27.80000 914.3000   39.80000 38.42924 0.7059674 42.23143 0.9197057 -3.802193      1.159417  
1 1 1 -14 7  18 o 27.19956 0.3802839 379.0862   10.59908 367.3000  18.40000 395.1000   25.00000 26.76198 0.6714975 27.74779 0.8803659 -0.9858093     1.107228  
1 1 1 -14 7  19 o 43.20599 0.3862990 956.5510   17.10275 1044.000  31.10000 849.7000   38.00000 45.13232 0.6724723 40.71034 0.9109206 4.421978       1.132252  
1 1 1 -14 7  20 o 17.88732 0.4609866 164.0699   8.442477 135.6000  15.90000 196.3000   18.00000 16.23351 0.9601305 19.54610 0.9011233 -3.312586      1.316766  
1 1 1 -14 7  21 o 68.74640 0.4515383 2421.907   31.80848 2511.400  65.10000 2336.400   62.20000 69.98320 0.9077971 67.50141 0.8992473 2.481789       1.277788  
1 1 1 -14 7  22 o 45.09449 0.3570026 1042.024   16.49655 957.3000  29.90000 1146.300   36.80000 43.21435 0.6752192 47.28500 0.7594970 -4.070656      1.016246  
1 1 1 -14 7  23 o 81.38894 0.6000506 3395.447   50.04396 3622.700  126.5000 3246.700   82.80000 83.97289 1.470121  79.55247 1.015730  4.420425       1.786886  
1 1 1 -14 7  24 o 111.0148 0.7916734 6319.964   90.05859 6346.800  217.5000 6301.000   153.7000 111.0130 1.911997  110.7537 1.354308  0.2593002      2.343050  
1 1 1 -14 7  25 o 69.52711 0.5554342 2477.904   39.57174 2565.700  100.2000 2420.600   65.40000 70.66016 1.383868  68.68892 0.9291647 1.971237       1.666865  
1 1 1 -14 7  26 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -14 8  1  o 46.45449 0.7520676 0.000000   0.000000 ?         ?        1106.100   35.80000 ?        ?         46.45449 0.7520676 0.000000       0.7520676 
1 1 1 -14 8  2  o 143.6479 1.733057  0.000000   0.000000 ?         ?        10593.50   255.1000 ?        ?         143.6479 1.733057  0.000000       1.733057  
1 1 1 -14 8  3  o 57.09949 1.194666  0.000000   0.000000 ?         ?        1672.000   69.90000 ?        ?         57.09949 1.194666  0.000000       1.194666  
1 1 1 -14 8  4  o 42.73166 1.043682  0.000000   0.000000 ?         ?        936.2000   45.70000 ?        ?         42.73166 1.043682  0.000000       1.043682  
1 1 1 -14 8  5  o 152.5440 1.241746  11933.76   194.1003 12294.50  397.2000 11589.00   379.6000 154.6035 2.507215  150.1113 2.467825  4.492203       3.517995  
1 1 1 -14 8  6  o 131.2803 1.102327  8836.770   148.2888 8617.200  283.6000 9077.400   310.8000 129.5050 2.137083  132.8918 2.282362  -3.386810      3.126707  
1 1 1 -14 8  7  o 87.22911 1.713953  3905.500   153.2000 3905.500  153.2000 ?          ?        87.22911 1.713953  ?        ?         0.000000       1.713953  
1 1 1 -14 8  8  o 83.32233 1.008425  3559.300   86.10000 3559.300  86.10000 ?          ?        83.32233 1.008425  ?        ?         0.000000       1.008425  
1 1 1 -14 8  9  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -14 8  10 o 112.4212 1.348977  6482.900   155.4000 6482.900  155.4000 ?          ?        112.4212 1.348977  ?        ?         0.000000       1.348977  
1 1 1 -14 8  11 o 37.94836 0.5991900 738.0000   23.30000 738.0000  23.30000 ?          ?        37.94836 0.5991900 ?        ?         0.000000       0.5991900 
1 1 1 -14 8  12 o 70.13264 0.8919479 2521.400   64.10000 2521.400  64.10000 ?          ?        70.13264 0.8919479 ?        ?         0.000000       0.8919479 
1 1 1 -14 8  13 o 76.66658 0.9279469 3013.300   72.90000 3013.300  72.90000 ?          ?        76.66658 0.9279469 ?        ?         0.000000       0.9279469 
1 1 1 -14 8  14 o 52.34506 0.7326869 1404.400   39.30000 1404.400  39.30000 ?          ?        52.34506 0.7326869 ?        ?         0.000000       0.7326869 
1 1 1 -14 8  15 o 35.52710 0.6647483 646.9000   24.20000 646.9000  24.20000 ?          ?        35.52710 0.6647483 ?        ?         0.000000       0.6647483 
1 1 1 -14 8  16 o 55.39440 0.4639542 1572.454   26.33536 1695.700  45.20000 1400.400   63.10000 57.51538 0.7669306 52.25056 1.178528  5.264820       1.406098  
1 1 1 -14 8  17 o 48.90848 0.4172400 1225.757   20.91070 1133.500  33.70000 1376.600   55.10000 47.02528 0.6993589 51.80959 1.037870  -4.784306      1.251510  
1 1 1 -14 8  18 o 55.61403 0.4967792 1585.050   28.31041 1645.400  45.70000 1486.800   74.40000 56.65243 0.7872258 53.80404 1.350526  2.848389       1.563216  
1 1 1 -14 8  19 o 49.40676 0.4424147 1250.933   22.39826 1287.500  38.90000 1201.300   52.80000 50.11330 0.7575272 48.39185 1.064788  1.721455       1.306760  
1 1 1 -14 8  20 o 20.09396 0.5344899 207.0883   10.99557 218.8000  19.00000 191.0000   26.10000 20.63554 0.9007139 19.24152 1.331961  1.394016       1.607919  
1 1 1 -14 8  21 o 64.41602 0.5991905 2126.981   39.55098 2148.000  77.20000 2104.900   81.10000 64.69064 1.164602  64.03104 1.236038  0.6595917      1.698260  
1 1 1 -14 8  22 o 41.78922 0.4880690 895.0516   20.89988 974.5000  40.40000 809.9000   43.30000 43.58601 0.9045568 39.71152 1.065038  3.874493       1.397329  
1 1 1 -14 8  23 o 54.74099 0.5277283 1535.981   29.60203 1535.300  57.60000 1536.700   60.90000 54.69513 1.027722  54.71469 1.086213  -0.1956177E-01 1.495350  
1 1 1 -14 8  24 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -14 9  1  o 70.89873 0.9841680 0.000000   0.000000 ?         ?        2577.800   71.50000 ?        ?         70.89873 0.9841680 0.000000       0.9841680 
1 1 1 -14 9  2  o 3.333730 1.635478  0.000000   0.000000 ?         ?        -38.60000  19.10000 ?        ?         3.333730 1.635478  0.000000       1.635478  
1 1 1 -14 9  3  o 64.03905 0.9402468 0.000000   0.000000 ?         ?        2102.800   61.70000 ?        ?         64.03905 0.9402468 0.000000       0.9402468 
1 1 1 -14 9  4  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -14 9  5  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -14 9  6  o 13.78279 2.013654  99.70000   27.60000 99.70000  27.60000 ?          ?        13.78279 2.013654  ?        ?         0.000000       2.013654  
1 1 1 -14 9  7  o 38.52330 1.001483  761.5000   39.50000 761.5000  39.50000 ?          ?        38.52330 1.001483  ?        ?         0.000000       1.001483  
1 1 1 -14 9  8  o 75.71695 1.391978  2942.100   108.0000 2942.100  108.0000 ?          ?        75.71695 1.391978  ?        ?         0.000000       1.391978  
1 1 1 -14 9  9  o 52.76969 0.6953523 1427.300   37.60000 1427.300  37.60000 ?          ?        52.76969 0.6953523 ?        ?         0.000000       0.6953523 
1 1 1 -14 9  10 o 31.79547 0.5524703 518.1000   18.00000 518.1000  18.00000 ?          ?        31.79547 0.5524703 ?        ?         0.000000       0.5524703 
1 1 1 -14 9  11 o 37.85621 0.6212717 734.5000   24.10000 734.5000  24.10000 ?          ?        37.85621 0.6212717 ?        ?         0.000000       0.6212717 
1 1 1 -14 9  12 o 127.6972 0.8632637 8360.452   112.9597 8253.400  188.0000 8521.600   283.0000 126.7983 1.446925  128.6934 2.146011  -1.895065      2.588234  
1 1 1 -14 9  13 o 94.35053 0.6754016 4562.985   65.29874 4351.900  105.6000 4905.000   171.1000 92.10684 1.118855  97.70603 1.708954  -5.599190      2.042635  
1 1 1 -14 9  14 o 38.50619 0.3600919 759.7795   14.20831 671.5000  21.80000 925.0000   40.80000 36.19606 0.5877556 42.47072 0.9375019 -6.274658      1.106511  
1 1 1 -14 9  15 o 69.55003 0.5406692 2479.155   38.53251 2469.600  63.50000 2493.900   98.00000 69.39647 0.8929723 69.69520 1.372224  -0.2987289     1.637192  
1 1 1 -14 9  16 o 4.456810 1.536259  9.223847   8.506233 16.00000  13.30000 -2.800000  23.60000 5.750690 1.921685  5.401900 2.333135  0.3487897      3.022646  
1 1 1 -14 9  17 o 76.45167 0.7034590 2996.500   55.10920 3009.000  107.3000 2983.300   113.3000 76.54437 1.368006  76.20555 1.450925  0.3388214      1.994147  
1 1 1 -14 9  18 o 11.84976 0.7755001 72.30968   9.364764 40.80000  14.80000 126.6000   25.50000 8.757052 1.710698  15.60864 1.617754  -6.851583      2.354489  
1 1 1 -14 9  19 o 13.36311 0.7406820 91.84686   10.10266 118.9000  17.50000 54.90000   23.90000 15.17732 1.133423  10.11033 2.351475  5.066993       2.610379  
1 1 1 -14 9  20 o 51.24364 0.5206717 1345.968   27.34023 1337.700  48.60000 1356.600   62.50000 51.06212 0.9288360 51.39942 1.186652  -0.3373032     1.506944  
1 1 1 -14 9  21 o 28.08534 0.4635852 404.2829   13.34159 399.6000  23.90000 410.2000   30.20000 27.89827 0.8369772 28.25001 1.045055  -0.3517342     1.338907  
1 1 1 -14 10 1  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -14 10 2  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -14 10 3  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -14 10 4  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -14 10 5  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -14 10 6  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -14 10 7  o 38.87402 1.025136  775.8000   40.80000 775.8000  40.80000 ?          ?        38.87402 1.025136  ?        ?         0.000000       1.025136  
1 1 1 -14 10 8  o 49.52697 1.058118  1258.500   53.70000 1258.500  53.70000 ?          ?        49.52697 1.058118  ?        ?         0.000000       1.058118  
1 1 1 -14 10 9  o 65.38650 1.265638  0.000000   0.000000 ?         ?        2194.900   84.80000 ?        ?         65.38650 1.265638  0.000000       1.265638  
1 1 1 -14 10 10 o 31.57979 0.3756200 511.0519   12.15504 491.3000  19.60000 543.3000   32.00000 30.95876 0.6178374 32.53056 0.9610289 -1.571800      1.142497  
1 1 1 -14 10 11 o 41.83368 0.4332346 896.8647   18.57152 866.6000  34.30000 932.6000   40.50000 41.10903 0.8142513 42.64028 0.9269080 -1.531250      1.233760  
1 1 1 -14 10 12 o 104.3089 0.8576609 5580.097   91.67174 5426.600  174.2000 5750.600   193.5000 102.7258 1.654894  105.7159 1.786250  -2.990128      2.435029  
1 1 1 -14 10 13 o 74.71206 0.6442234 2861.567   49.32028 2927.200  94.30000 2789.600   103.4000 75.50706 1.218781  73.69080 1.369332  1.816254       1.833166  
1 1 1 -14 10 14 o 62.29960 0.5920129 1989.590   37.79330 2010.200  69.60000 1965.100   82.70000 62.58326 1.085307  61.85332 1.304800  0.7299347      1.697173  
1 1 1 -14 10 15 o 61.16601 0.5659195 1917.803   35.47016 1891.400  66.90000 1947.600   75.50000 60.70422 1.075496  61.58642 1.196365  -0.8821983     1.608720  
1 1 1 -14 10 16 o 8.831620 0.9771450 40.51096   8.695226 49.80000  15.10000 27.90000   20.50000 9.717836 1.569878  7.432318 2.380028  2.285518       2.851150  
1 1 1 -14 10 17 o 36.95438 0.4882071 699.9657   18.48708 669.3000  32.90000 739.3000   42.20000 36.11884 0.8889222 37.93257 1.086800  -1.813728      1.404036  
1 1 1 -14 10 18 o 68.62048 1.190346  2418.600   83.70000 2418.600  83.70000 ?          ?        68.62048 1.190346  ?        ?         0.000000       1.190346  
1 1 1 -14 11 1  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -14 11 2  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -14 11 3  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -14 11 4  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -14 11 5  o 14.91826 1.539746  0.000000   0.000000 ?         ?        115.7000   23.20000 ?        ?         14.91826 1.539746  0.000000       1.539746  
1 1 1 -14 11 6  o 41.81359 1.019919  0.000000   0.000000 ?         ?        897.4000   43.70000 ?        ?         41.81359 1.019919  0.000000       1.019919  
1 1 1 -14 11 7  o 6.414334 2.547516  0.000000   0.000000 ?         ?        11.30000   25.00000 ?        ?         6.414334 2.547516  0.000000       2.547516  
1 1 1 -14 11 8  o 75.06245 1.356011  0.000000   0.000000 ?         ?        2896.000   104.3000 ?        ?         75.06245 1.356011  0.000000       1.356011  
1 1 1 -14 11 9  o 26.27146 1.064594  0.000000   0.000000 ?         ?        354.9000   28.60000 ?        ?         26.27146 1.064594  0.000000       1.064594  
1 1 1 -14 11 10 o 48.89797 1.085700  0.000000   0.000000 ?         ?        1227.600   54.40000 ?        ?         48.89797 1.085700  0.000000       1.085700  
1 1 1 -14 11 11 o 14.01978 1.616636  0.000000   0.000000 ?         ?        102.5000   22.80000 ?        ?         14.01978 1.616636  0.000000       1.616636  
1 1 1 -14 11 12 o 20.51482 1.232999  0.000000   0.000000 ?         ?        217.0000   25.80000 ?        ?         20.51482 1.232999  0.000000       1.232999  
1 1 1 -14 11 13 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -13 0  1  o 150.0822 1.775059  11550.10   272.9000 11550.10  272.9000 11550.10   272.9000 150.0822 1.775059  150.0822 1.775059  -0.000000      0.000000  
1 1 1 -13 0  2  o 58.72088 0.8712763 1768.000   52.40000 1768.000  52.40000 1768.000   52.40000 58.72088 0.8712763 58.72088 0.8712763 -0.000000      0.000000  
1 1 1 -13 0  3  o 170.8836 1.978266  14974.70   346.3000 14974.70  346.3000 14974.70   346.3000 170.8836 1.978266  170.8836 1.978266  0.000000       0.000000  
1 1 1 -13 0  4  o 352.5409 3.936330  63825.30   1421.600 63825.30  1421.600 63825.30   1421.600 352.5409 3.936330  352.5409 3.936330  -0.000000      0.000000  
1 1 1 -13 0  5  o 122.2441 1.485357  7661.900   186.0000 7661.900  186.0000 7661.900   186.0000 122.2441 1.485357  122.2441 1.485357  -0.000000      0.000000  
1 1 1 -13 0  6  o 269.7649 3.044330  37342.80   841.3000 37342.80  841.3000 37342.80   841.3000 269.7649 3.044330  269.7649 3.044330  -0.000000      0.000000  
1 1 1 -13 0  7  o 224.4941 2.559870  25852.50   588.7000 25852.50  588.7000 25852.50   588.7000 224.4941 2.559870  224.4941 2.559870  -0.000000      0.000000  
1 1 1 -13 0  8  o 44.42570 0.8133876 1012.300   37.00000 1012.300  37.00000 1012.300   37.00000 44.42570 0.8133876 44.42570 0.8133876 -0.000000      0.000000  
1 1 1 -13 0  9  o 29.59521 0.7694847 449.7000   23.30000 449.7000  23.30000 449.7000   23.30000 29.59521 0.7694847 29.59521 0.7694847 0.000000       0.000000  
1 1 1 -13 0  10 o 21.94782 0.7131340 247.6000   16.00000 247.6000  16.00000 247.6000   16.00000 21.94782 0.7131340 21.94782 0.7131340 0.000000       0.000000  
1 1 1 -13 0  11 o 118.3938 1.442966  7186.800   175.0000 7186.800  175.0000 7186.800   175.0000 118.3938 1.442966  118.3938 1.442966  -0.000000      0.000000  
1 1 1 -13 0  12 o 1.818249 1.330140  -39.00000  15.50000 -39.00000 15.50000 -39.00000  15.50000 1.818249 1.330140  1.818249 1.330140  0.000000       0.000000  
1 1 1 -13 0  13 o 50.60172 0.8394506 1313.100   43.50000 1313.100  43.50000 1313.100   43.50000 50.60172 0.8394506 50.60172 0.8394506 0.000000       0.000000  
1 1 1 -13 0  14 o 79.77309 1.128423  3263.000   92.20000 3263.000  92.20000 3263.000   92.20000 79.77309 1.128423  79.77309 1.128423  -0.000000      0.000000  
1 1 1 -13 0  15 o 56.72961 0.9881001 1650.600   57.40000 1650.600  57.40000 1650.600   57.40000 56.72961 0.9881001 56.72961 0.9881001 0.000000       0.000000  
1 1 1 -13 0  16 o 235.2430 2.713894  28394.00   654.0000 28394.00  654.0000 28394.00   654.0000 235.2430 2.713894  235.2430 2.713894  0.000000       0.000000  
1 1 1 -13 0  17 o 104.9507 1.385101  5647.900   148.9000 5647.900  148.9000 5647.900   148.9000 104.9507 1.385101  104.9507 1.385101  0.000000       0.000000  
1 1 1 -13 0  18 o 39.53748 0.7311720 801.8000   29.60000 801.8000  29.60000 801.8000   29.60000 39.53748 0.7311720 39.53748 0.7311720 0.000000       0.000000  
1 1 1 -13 0  19 o 118.1816 1.473664  7161.700   178.4000 7161.700  178.4000 7161.700   178.4000 118.1816 1.473664  118.1816 1.473664  -0.000000      0.000000  
1 1 1 -13 0  20 o 173.5447 2.067781  15448.10   367.6000 15448.10  367.6000 15448.10   367.6000 173.5447 2.067781  173.5447 2.067781  -0.000000      0.000000  
1 1 1 -13 0  21 o 37.62487 0.9506804 726.8000   36.60000 726.8000  36.60000 726.8000   36.60000 37.62487 0.9506804 37.62487 0.9506804 0.000000       0.000000  
1 1 1 -13 0  22 o 90.64996 1.194361  4213.500   110.9000 4213.500  110.9000 4213.500   110.9000 90.64996 1.194361  90.64996 1.194361  0.000000       0.000000  
1 1 1 -13 0  23 o 39.81898 0.7431824 813.3000   30.30000 813.3000  30.30000 813.3000   30.30000 39.81898 0.7431824 39.81898 0.7431824 -0.000000      0.000000  
1 1 1 -13 0  24 o 88.94539 1.131606  4056.500   103.1000 4056.500  103.1000 4056.500   103.1000 88.94539 1.131606  88.94539 1.131606  0.000000       0.000000  
1 1 1 -13 0  25 o 38.02037 0.7887614 741.7000   30.70000 741.7000  30.70000 741.7000   30.70000 38.02037 0.7887614 38.02037 0.7887614 -0.000000      0.000000  
1 1 1 -13 0  26 o 114.1289 1.501247  6681.400   175.5000 6681.400  175.5000 6681.400   175.5000 114.1289 1.501247  114.1289 1.501247  0.000000       0.000000  
1 1 1 -13 0  27 o 67.69136 0.9620373 2349.800   66.70000 2349.800  66.70000 2349.800   66.70000 67.69136 0.9620373 67.69136 0.9620373 0.000000       0.000000  
1 1 1 -13 0  28 o 14.39496 1.220940  108.5000   17.70000 108.5000  17.70000 108.5000   17.70000 14.39496 1.220940  14.39496 1.220940  -0.000000      0.000000  
1 1 1 -13 0  29 o 58.84665 0.9524634 1776.400   57.40000 1776.400  57.40000 1776.400   57.40000 58.84665 0.9524634 58.84665 0.9524634 0.000000       0.000000  
1 1 1 -13 0  30 o 39.82790 0.7675779 813.9000   31.30000 813.9000  31.30000 813.9000   31.30000 39.82790 0.7675779 39.82790 0.7675779 0.000000       0.000000  
1 1 1 -13 0  31 o 4.330962 2.608248  9.500000   21.00000 9.500000  21.00000 9.500000   21.00000 4.330962 2.608248  4.330962 2.608248  -0.000000      0.000000  
1 1 1 -13 0  32 o 27.55634 1.033868  391.0000   29.10000 391.0000  29.10000 391.0000   29.10000 27.55634 1.033868  27.55634 1.033868  0.000000       0.000000  
1 1 1 -13 1  1  o 53.48601 0.4582387 1465.793   25.11484 1489.900  43.30000 1432.500   59.80000 53.92120 0.7836640 52.86814 1.103847  1.053059       1.353738  
1 1 1 -13 1  2  o 163.3431 0.9670170 13673.34   161.8577 13328.20  320.4000 14025.70   327.1000 161.2097 1.939559  165.3749 1.930245  -4.165253      2.736373  
1 1 1 -13 1  3  o 147.1780 0.8608388 11100.33   129.8264 11285.60  263.2000 10920.00   256.2000 148.3584 1.731312  145.9368 1.713232  2.421677       2.435694  
1 1 1 -13 1  4  o 56.92847 0.4024069 1660.524   23.47433 1711.700  46.70000 1608.800   47.20000 57.79570 0.7885387 56.03118 0.8220796 1.764515       1.139126  
1 1 1 -13 1  5  o 142.7964 0.8515315 10449.18   124.5995 10562.10  248.7000 10335.80   249.7000 143.5273 1.690997  141.9799 1.716300  1.547440       2.409389  
1 1 1 -13 1  6  o 129.2431 0.7809339 8559.522   103.4237 8121.300  195.1000 9053.900   220.1000 125.8646 1.512708  132.8896 1.616332  -7.025002      2.213779  
1 1 1 -13 1  7  o 139.3700 0.8256482 9953.631   117.9133 9951.800  233.5000 9955.500   238.2000 139.3223 1.635565  139.3463 1.668199  -0.2400208E-01 2.336228  
1 1 1 -13 1  8  o 212.5983 1.225421  23166.07   266.9582 23879.10  547.6000 22487.80   520.9000 215.7193 2.477286  209.3469 2.428228  6.372345       3.468895  
1 1 1 -13 1  9  o 72.04935 0.4939617 2659.839   36.46882 2533.900  72.00000 2789.100   73.90000 70.31623 0.9992601 73.77263 0.9775766 -3.456398      1.397919  
1 1 1 -13 1  10 o 110.6795 0.6929714 6277.055   78.59245 6780.500  175.7000 5869.600   142.2000 115.0067 1.490906  107.0106 1.296805  7.996140       1.975982  
1 1 1 -13 1  11 o 92.69985 0.6050639 4403.192   57.47496 4347.300  117.4000 4456.800   112.6000 92.09554 1.244031  93.25009 1.178395  -1.154556      1.713542  
1 1 1 -13 1  12 o 104.3177 0.6526130 5576.133   69.76093 5959.100  149.1000 5239.400   131.1000 107.8207 1.349513  101.1033 1.265433  6.717461       1.850001  
1 1 1 -13 1  13 o 198.0121 1.164444  20096.02   236.2701 20488.80  474.7000 19706.80   470.4000 199.8301 2.318249  195.9765 2.342420  3.853516       3.295635  
1 1 1 -13 1  14 o 112.3889 0.7249612 6472.594   83.49044 7310.600  183.2000 5770.900   153.4000 119.4149 1.497161  106.1008 1.410939  13.31407       2.057241  
1 1 1 -13 1  15 o 19.89968 0.3788028 202.8980   7.724272 218.7000  15.60000 187.4000   15.30000 20.64569 0.7385793 19.10729 0.7830965 1.538403       1.076448  
1 1 1 -13 1  16 o 23.84985 0.3947647 291.4467   9.647669 298.2000  19.60000 284.9000   19.00000 24.10989 0.7944306 23.56575 0.7879254 0.5441380      1.118904  
1 1 1 -13 1  17 f 70.72140 0.4839324 2562.713   35.06985 2502.600  69.30000 2624.300   71.00000 69.87984 0.9677941 71.55877 0.9682714 -1.678932      1.369005  
1 1 1 -13 1  18 o 63.05969 0.4457894 2037.501   28.80580 1902.100  54.50000 2189.300   61.10000 60.92320 0.8730024 65.36031 0.9122813 -4.437103      1.262692  
1 1 1 -13 1  19 o 163.5253 0.9580518 13704.48   160.5360 14036.60  324.1000 13378.50   318.1000 165.4245 1.911969  161.4991 1.922186  3.925461       2.711166  
1 1 1 -13 1  20 o 111.3041 0.7198452 6348.399   82.10107 6345.000  157.5000 6352.100   171.5000 111.2492 1.381609  111.3050 1.503664  -0.5584717E-01 2.042021  
1 1 1 -13 1  21 o 90.26269 0.5988415 4174.823   55.38836 4175.700  108.0000 4173.900   113.7000 90.25671 1.167739  90.23497 1.229666  0.2174377E-01  1.695787  
1 1 1 -13 1  22 o 70.95124 0.4962179 2579.455   36.07703 2298.100  66.40000 2914.200   79.00000 66.96143 0.9677095 75.40344 1.022439  -8.442009      1.407780  
1 1 1 -13 1  23 o 133.8144 0.8419394 9177.014   115.4469 9007.300  229.7000 9348.500   232.1000 132.5125 1.691631  135.0003 1.677807  -2.487762      2.382573  
1 1 1 -13 1  24 o 31.59100 0.3765485 511.3559   12.18941 452.7000  22.50000 580.7000   26.60000 29.72124 0.7387835 33.66145 0.7711706 -3.940207      1.067944  
1 1 1 -13 1  25 o 90.83259 0.6137173 4228.000   57.12266 4302.700  116.8000 4156.500   111.8000 91.60420 1.244311  90.03628 1.211786  1.567924       1.736875  
1 1 1 -13 1  26 o 28.26299 0.3822504 409.3002   11.07043 411.8000  22.60000 406.9000   21.70000 28.33464 0.7791208 28.16649 0.7525197 0.1681480      1.083197  
1 1 1 -13 1  27 o 12.71236 0.6178531 83.01496   8.024300 59.80000  16.20000 105.8000   15.90000 10.68856 1.522060  14.32287 1.091572  -3.634309      1.873018  
1 1 1 -13 1  28 o 27.50361 0.3823731 387.6132   10.77644 306.3000  20.20000 480.6000   23.10000 24.43089 0.8080004 30.62061 0.7362067 -6.189720      1.093099  
1 1 1 -13 1  29 o 93.14793 0.6055514 4447.026   57.79930 4395.900  116.0000 4497.800   115.2000 92.56013 1.223026  93.62926 1.200722  -1.069130      1.713921  
1 1 1 -13 1  30 o 29.99651 0.4612196 461.1226   14.17676 554.1000  36.70000 402.6000   23.10000 32.84525 1.091941  28.00986 0.8056643 4.835384       1.356993  
1 1 1 -13 1  31 o 66.03659 1.334458  2239.600   90.30000 2239.600  90.30000 ?          ?        66.03659 1.334458  ?        ?         0.000000       1.334458  
1 1 1 -13 1  32 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -13 2  1  o 120.7750 1.032327  7475.621   127.7594 8005.700  267.1000 6989.600   244.9000 124.9285 2.086479  116.7340 2.047354  8.194473       2.923193  
1 1 1 -13 2  2  f 93.18428 0.5817822 4449.309   55.55223 4486.700  113.4000 4413.400   108.9000 93.56191 1.182812  92.79557 1.145255  0.7663422      1.646406  
1 1 1 -13 2  3  o 128.5182 0.7574056 8463.741   99.74506 8236.800  194.0000 8703.900   205.3000 126.7560 1.493601  130.2983 1.537630  -3.542274      2.143630  
1 1 1 -13 2  4  o 75.95819 0.4928453 2956.276   38.36044 3095.300  80.00000 2828.200   73.70000 77.71599 1.004572  74.28790 0.9681686 3.428085       1.395176  
1 1 1 -13 2  5  o 109.9643 0.6744704 6196.159   75.99987 6227.700  152.2000 6164.700   151.8000 110.2245 1.347530  109.6654 1.350840  0.5590744      1.908037  
1 1 1 -13 2  6  o 138.3417 0.8367699 9807.384   118.6199 9571.000  238.8000 10040.70   235.7000 136.6255 1.705706  139.9416 1.643669  -3.316071      2.368772  
1 1 1 -13 2  7  o 52.39558 0.3990901 1406.616   21.42713 1246.000  38.20000 1611.800   48.80000 49.31089 0.7560006 56.08298 0.8491617 -6.772083      1.136931  
1 1 1 -13 2  8  o 155.4184 0.9230462 12378.52   147.0023 12086.10  290.4000 12678.30   297.7000 153.5210 1.845995  157.2370 1.847675  -3.716034      2.611819  
1 1 1 -13 2  9  o 88.61746 0.5713907 4023.869   51.88608 3802.800  102.1000 4252.300   105.5000 86.13745 1.156739  91.08685 1.130312  -4.949394      1.617297  
1 1 1 -13 2  10 o 149.8277 0.8760633 11503.77   134.5012 11067.80  257.4000 11980.90   281.7000 146.9197 1.709740  152.8539 1.798506  -5.934158      2.481498  
1 1 1 -13 2  11 o 104.2517 0.6448967 5569.066   68.89243 5331.600  132.0000 5828.300   144.1000 101.9888 1.263057  106.6317 1.318801  -4.642906      1.826074  
1 1 1 -13 2  12 o 18.53391 0.4295439 176.0046   8.157798 193.0000  17.10000 160.5000   15.60000 19.38748 0.8629112 17.67632 0.8638766 1.711157       1.221023  
1 1 1 -13 2  13 o 19.18763 0.3981764 188.6383   7.828798 138.0000  14.30000 249.9000   17.30000 16.38787 0.8545120 22.07000 0.7661334 -5.682135      1.147672  
1 1 1 -13 2  14 o 115.0509 0.7090519 6782.813   83.59234 6753.300  165.6000 6812.900   168.8000 114.7765 1.408021  115.2809 1.428949  -0.5043793     2.006095  
1 1 1 -13 2  15 o 79.60983 0.5391321 3247.414   43.98051 3131.500  83.20000 3377.400   93.30000 78.16734 1.038723  81.17631 1.121641  -3.008972      1.528733  
1 1 1 -13 2  16 o 156.7635 0.9141392 12594.03   146.8438 12490.90  291.8000 12698.50   295.6000 156.0635 1.824675  157.3543 1.833274  -1.290833      2.586568  
1 1 1 -13 2  17 o 56.78568 0.4524907 1652.238   26.32976 1883.600  60.70000 1475.000   46.50000 60.62450 0.9771071 53.64946 0.8458420 6.975037       1.292357  
1 1 1 -13 2  18 o 100.0109 0.6244962 5125.256   63.99937 5171.400  128.4000 5079.400   127.6000 100.4421 1.247530  99.54453 1.250936  0.8975830      1.766683  
1 1 1 -13 2  19 o 29.43942 0.3777273 444.0652   11.39478 409.7000  20.80000 485.7000   25.20000 28.26654 0.7186952 30.77576 0.7997633 -2.509228      1.075241  
1 1 1 -13 2  20 o 179.1159 1.050107  16443.58   192.7374 16928.00  397.0000 15986.50   374.6000 181.6305 2.133062  176.5150 2.071037  5.115524       2.973070  
1 1 1 -13 2  21 o 98.51247 0.6198496 4972.908   62.57140 4717.200  118.4000 5259.500   132.7000 95.92798 1.204503  101.2887 1.278531  -5.360756      1.756551  
1 1 1 -13 2  22 o 30.37527 0.3966748 472.7540   12.34676 448.7000  24.30000 497.6000   25.10000 29.57874 0.8024716 31.15051 0.7869700 -1.571768      1.123958  
1 1 1 -13 2  23 o 210.6550 1.209352  22750.39   261.0496 22744.10  517.0000 22756.80   527.3000 210.4296 2.397648  210.4779 2.444854  -0.4827881E-01 3.424328  
1 1 1 -13 2  24 o 40.73765 0.3877097 850.3376   16.18457 892.5000  33.40000 810.7000   31.40000 41.73083 0.7810721 39.77266 0.7704538 1.958164       1.097120  
1 1 1 -13 2  25 o 104.5009 0.6682141 5596.456   71.55404 5496.300  140.7000 5700.100   145.6000 103.5250 1.326326  105.4253 1.347778  -1.900230      1.890938  
1 1 1 -13 2  26 o 44.90457 0.4515044 1033.247   20.77547 1049.000  36.40000 1012.300   48.40000 45.23983 0.7852032 44.43438 1.062987  0.8054504      1.321546  
1 1 1 -13 2  27 o 89.60982 0.7214041 4115.674   66.24187 3988.800  105.4000 4330.300   178.3000 88.19138 1.166316  91.81606 1.895110  -3.624680      2.225249  
1 1 1 -13 2  28 o 40.17144 0.4083036 826.9226   16.80734 857.3000  30.20000 788.8000   37.90000 40.89652 0.7206464 39.22248 0.9429871 1.674034       1.186826  
1 1 1 -13 2  29 o 72.20219 0.5998213 2671.961   44.37829 2847.600  77.30000 2435.200   104.2000 74.51197 1.012407  68.86456 1.476636  5.647415       1.790369  
1 1 1 -13 2  30 o 34.60995 0.4970995 613.9048   17.62961 639.9000  40.20000 593.6000   31.40000 35.29639 1.112860  34.00916 0.9018178 1.287231       1.432387  
1 1 1 -13 2  31 o 52.92355 1.213329  1438.000   65.80000 1438.000  65.80000 ?          ?        52.92355 1.213329  ?        ?         0.000000       1.213329  
1 1 1 -13 3  1  o 46.92089 0.4871037 1128.054   23.41996 1136.200  43.60000 1118.600   50.60000 47.08618 0.9036384 46.71810 1.056980  0.3680763      1.390601  
1 1 1 -13 3  2  o 9.751101 0.5235582 48.86057   5.212207 18.10000  9.100000 90.10000   12.20000 5.833512 1.510540  13.22863 0.9054686 -7.395113      1.761137  
1 1 1 -13 3  3  o 62.13465 0.4302032 1978.145   27.39087 1862.200  53.80000 2098.400   55.80000 60.28148 0.8709636 63.99071 0.8509791 -3.709225      1.217679  
1 1 1 -13 3  4  o 56.11740 0.3980293 1613.549   22.88816 1501.600  42.50000 1744.200   49.60000 54.13254 0.7661824 58.34094 0.8296785 -4.208405      1.129337  
1 1 1 -13 3  5  o 33.09430 0.3198998 561.1601   10.84839 552.5000  20.30000 571.1000   23.30000 32.83679 0.6033050 33.38449 0.6811030 -0.5477028     0.9098781 
1 1 1 -13 3  6  o 51.59297 0.3790184 1363.849   20.03776 1563.800  42.90000 1188.600   37.60000 55.24245 0.7578548 48.16148 0.7618853 7.080971       1.074622  
1 1 1 -13 3  7  o 42.14880 0.3494298 910.2339   15.09189 922.2000  29.50000 897.7000   30.90000 42.42302 0.6786129 41.85537 0.7204584 0.5676460      0.9897352 
1 1 1 -13 3  8  o 66.76528 0.4558749 2283.990   31.18852 2585.800  67.20000 2022.600   58.20000 71.03353 0.9232249 62.82362 0.9040692 8.209915       1.292163  
1 1 1 -13 3  9  o 136.8602 0.8219704 9598.478   115.2741 9696.500  229.9000 9499.900   231.2000 137.5201 1.631452  136.1173 1.657587  1.402863       2.325775  
1 1 1 -13 3  10 o 140.4279 0.8309679 10105.50   119.5738 10026.20  239.9000 10184.30   238.4000 139.8353 1.674230  140.9350 1.650779  -1.099686      2.351195  
1 1 1 -13 3  11 o 13.91735 0.4915150 99.36929   6.998572 93.80000  13.80000 105.1000   14.20000 13.49132 1.005449  14.28730 0.9757863 -0.7959709     1.401102  
1 1 1 -13 3  12 o 202.8382 1.160900  21087.88   241.2920 21638.40  491.7000 20557.40   473.8000 205.3498 2.336725  200.1582 2.310061  5.191605       3.285828  
1 1 1 -13 3  13 o 158.6214 0.9328623 12894.37   151.6274 13092.20  307.0000 12701.30   299.6000 159.7733 1.875149  157.3715 1.857879  2.401840       2.639678  
1 1 1 -13 3  14 o 191.7249 1.103249  18839.89   216.7457 19769.80  452.4000 17984.60   416.1000 196.2906 2.249182  187.2281 2.168844  9.062515       3.124533  
1 1 1 -13 3  15 o 76.57518 0.5115979 3004.541   40.14349 2900.100  78.10000 3115.000   82.60000 75.22396 1.013203  77.96075 1.033965  -2.736786      1.447641  
1 1 1 -13 3  16 o 134.7759 0.7953423 9308.416   109.8410 9736.900  230.3000 8917.700   210.0000 137.8007 1.630963  131.8814 1.553951  5.919281       2.252733  
1 1 1 -13 3  17 o 110.4882 0.6752475 6255.499   76.44997 6181.700  153.0000 6329.200   152.8000 109.8108 1.359716  111.1140 1.342012  -1.303177      1.910451  
1 1 1 -13 3  18 o 167.9218 0.9859819 14451.69   169.6580 14031.40  329.0000 14899.20   350.3000 165.3874 1.941311  170.4180 2.005978  -5.030624      2.791530  
1 1 1 -13 3  19 o 69.59426 0.4763739 2481.694   33.97189 2445.400  68.60000 2517.300   67.30000 69.07525 0.9691774 70.08410 0.9371244 -1.008850      1.348149  
1 1 1 -13 3  20 o 66.02859 0.4625333 2233.909   31.29489 2332.300  63.40000 2138.000   61.80000 67.45952 0.9171654 64.58810 0.9337649 2.871414       1.308858  
1 1 1 -13 3  21 o 202.9012 1.192374  21104.48   247.9108 21254.40  499.6000 20956.80   492.1000 203.4520 2.396416  202.0262 2.377100  1.425797       3.375412  
1 1 1 -13 3  22 o 114.7898 0.8354207 6753.103   98.26685 6597.600  162.5000 6991.000   248.6000 113.4304 1.398059  116.7048 2.078806  -3.274460      2.505195  
1 1 1 -13 3  23 o 98.59177 0.7338189 4981.480   74.13580 4970.300  126.2000 4997.400   179.7000 98.45760 1.250869  98.68914 1.776971  -0.2315445     2.173085  
1 1 1 -13 3  24 o 162.1968 1.121921  13487.59   186.4674 14002.10  329.3000 12815.90   429.9000 165.1542 1.945824  157.8711 2.657458  7.283112       3.293678  
1 1 1 -13 3  25 f 118.5393 0.8429688 7202.374   102.3935 7187.900  175.3000 7222.700   246.2000 118.3721 1.445221  118.5878 2.026047  -0.2157440     2.488681  
1 1 1 -13 3  26 o 55.57148 0.4900844 1582.496   27.90752 1524.000  47.00000 1668.000   68.70000 54.52616 0.8411909 57.03112 1.175565  -2.504963      1.445529  
1 1 1 -13 3  27 o 122.5467 0.8936571 7699.183   112.2202 7792.700  193.9000 7570.700   266.4000 123.2132 1.535756  121.3392 2.142569  1.874016       2.636123  
1 1 1 -13 3  28 o 30.97570 0.4299955 491.6852   13.64845 520.0000  25.40000 458.8000   29.50000 31.84872 0.7782934 29.89578 0.9642335 1.952944       1.239148  
1 1 1 -13 3  29 o 28.92123 0.4836412 428.6630   14.33304 490.9000  31.50000 376.7000   26.30000 30.92052 0.9954780 27.08499 0.9490746 3.835531       1.375398  
1 1 1 -13 3  30 o 74.35235 0.6913940 2834.201   52.67671 3001.100  113.1000 2688.700   98.60000 76.42953 1.444119  72.35732 1.329830  4.072212       1.963142  
1 1 1 -13 3  31 o 21.74961 0.5839334 242.6621   13.00229 275.7000  24.20000 204.3000   28.10000 23.15682 1.022374  19.89260 1.387224  3.264225       1.723264  
1 1 1 -13 4  1  o 61.42740 0.4570139 1933.389   28.76669 1802.900  44.40000 2173.500   81.70000 59.31543 0.7304945 65.11787 1.224400  -5.802448      1.425755  
1 1 1 -13 4  2  o 104.3900 0.7560184 5584.166   80.87043 5566.800  133.6000 5610.800   204.9000 104.2126 1.251088  104.5920 1.911812  -0.3794098     2.284786  
1 1 1 -13 4  3  o 31.70790 0.3037311 515.1278   9.868592 477.7000  18.10000 560.0000   21.70000 30.53321 0.5785058 33.05857 0.6405857 -2.525364      0.8631448 
1 1 1 -13 4  4  o 87.94855 0.5552833 3963.365   50.04280 4096.500  98.90000 3827.000   101.3000 89.40251 1.079563  86.40990 1.144057  2.992607       1.572998  
1 1 1 -13 4  5  o 150.1318 0.8911918 11550.80   137.1015 11782.70  280.7000 11329.40   268.0000 151.5778 1.807209  148.6371 1.759581  2.940704       2.522326  
1 1 1 -13 4  6  o 95.46735 0.5961814 4670.056   58.32190 4643.700  115.8000 4696.800   117.5000 95.18327 1.187270  95.72557 1.197875  -0.5423050     1.686569  
1 1 1 -13 4  7  o 203.2518 1.144950  21173.84   238.4620 20755.30  469.3000 21606.20   484.8000 201.1218 2.277157  205.1993 2.305624  -4.077438      3.240577  
1 1 1 -13 4  8  o 61.79215 0.4287124 1956.401   27.14549 2034.900  55.00000 1879.900   53.60000 63.01476 0.8517694 60.56710 0.8636338 2.447651       1.213002  
1 1 1 -13 4  9  o 65.12050 0.4408437 2172.842   29.41716 1942.400  53.40000 2455.500   65.50000 61.56593 0.8464523 69.22015 0.9234436 -7.654228      1.252689  
1 1 1 -13 4  10 o 57.96222 0.4095844 1721.390   24.32690 1684.900  47.20000 1760.200   50.20000 57.34062 0.8033065 58.60747 0.8358963 -1.266850      1.159320  
1 1 1 -13 4  11 o 44.83465 0.3373766 1029.936   15.49984 979.4000  30.90000 1080.800   31.10000 43.71856 0.6897541 45.92624 0.6608474 -2.207680      0.9552382 
1 1 1 -13 4  12 o 36.58061 0.3175444 685.6196   11.90293 677.7000  22.40000 694.6000   25.40000 36.36733 0.6010883 36.81749 0.6732574 -0.4501610     0.9025424 
1 1 1 -13 4  13 o 38.04071 0.3398945 741.4481   13.24925 768.4000  26.70000 714.9000   26.30000 38.72398 0.6728727 37.35147 0.6871471 1.372509       0.9617322 
1 1 1 -13 4  14 o 144.0525 0.8442580 10634.18   124.6219 10767.70  250.5000 10502.00   248.0000 144.9068 1.687021  143.1075 1.691184  1.799316       2.388753  
1 1 1 -13 4  15 o 123.8925 0.7590354 7865.691   96.36195 7876.900  185.7000 7853.600   200.3000 123.9506 1.462059  123.7602 1.579434  0.1903381      2.152261  
1 1 1 -13 4  16 o 85.33170 0.5594755 3731.064   48.92039 3829.400  96.90000 3630.800   98.80000 86.43668 1.094025  84.16390 1.145599  2.272774       1.584073  
1 1 1 -13 4  17 o 94.80810 0.7195660 4606.104   69.90600 4559.500  117.4000 4674.700   172.8000 94.31229 1.214791  95.47033 1.766351  -1.158035      2.143761  
1 1 1 -13 4  18 o 114.5965 0.8069577 6729.901   94.75906 6936.800  166.0000 6454.700   220.8000 116.3190 1.392705  112.1705 1.920977  4.148521       2.372715  
1 1 1 -13 4  19 o 36.85717 0.4341138 696.0530   16.39548 707.7000  29.70000 681.7000   36.60000 37.16142 0.7799482 36.45688 0.9806131 0.7045364      1.252965  
1 1 1 -13 4  20 o 45.32415 0.4378431 1052.593   20.33511 1074.900  36.20000 1024.000   46.40000 45.79828 0.7713670 44.69699 1.013074  1.101284       1.273313  
1 1 1 -13 4  21 o 25.82844 0.5263150 341.8349   13.92972 295.1000  25.50000 398.1000   30.70000 23.97128 1.040606  27.84703 1.077909  -3.875751      1.498248  
1 1 1 -13 4  22 o 71.46619 0.5565593 2617.176   40.75777 2672.400  71.90000 2544.900   94.10000 72.20550 0.9717628 70.44951 1.303507  1.755989       1.625870  
1 1 1 -13 4  23 o 98.62461 0.7274218 4984.908   73.51399 5226.200  129.7000 4669.200   169.7000 100.9563 1.253742  95.38953 1.736132  5.566757       2.141500  
1 1 1 -13 4  24 o 40.41367 0.4244002 836.8950   17.57528 880.7000  31.60000 782.0000   39.60000 41.45331 0.7439256 39.04402 0.9905882 2.409290       1.238826  
1 1 1 -13 4  25 o 67.98627 0.5387160 2368.615   37.53008 2222.800  63.20000 2581.800   92.40000 65.84754 0.9366539 70.94870 1.270952  -5.101158      1.578809  
1 1 1 -13 4  26 o 61.37088 0.5082317 1930.099   31.96116 1914.600  55.00000 1951.600   76.30000 61.11191 0.8782910 61.68330 1.207143  -0.5713882     1.492846  
1 1 1 -13 4  27 o 27.84606 0.4462702 397.3519   12.73386 499.6000  24.10000 282.8000   27.00000 31.21863 0.7533640 23.45329 1.126767  7.765339       1.355419  
1 1 1 -13 4  28 o 46.54979 0.4751550 1110.479   22.66478 1132.500  54.70000 1094.900   38.70000 46.98187 1.136210  46.21101 0.8172731 0.7708664      1.399610  
1 1 1 -13 4  29 o 94.97694 0.7256269 4624.830   70.62036 4972.700  187.2000 4414.100   113.4000 98.30133 1.858438  92.73499 1.193359  5.566345       2.208596  
1 1 1 -13 4  30 o 91.42554 0.7014228 4285.609   65.71217 4434.400  159.0000 4180.800   112.0000 92.84480 1.671249  90.23709 1.211252  2.607704       2.064027  
1 1 1 -13 5  1  o 125.0324 0.8281471 8011.382   106.1032 7913.000  174.5000 8164.000   270.7000 124.2391 1.370689  126.1444 2.094218  -1.905350      2.502906  
1 1 1 -13 5  2  o 128.2830 0.8682381 8433.498   114.1317 8653.400  192.1000 8111.600   281.2000 129.9179 1.442979  125.7328 2.182570  4.185104       2.616448  
1 1 1 -13 5  3  o 47.63207 0.3331602 1162.471   16.26114 1216.400  33.50000 1111.600   31.60000 48.72187 0.6709999 46.57586 0.6621065 2.146015       0.9426695 
1 1 1 -13 5  4  o 137.3820 0.7886441 9671.867   111.0220 9627.100  220.9000 9717.100   223.2000 137.0249 1.573251  137.6633 1.582259  -0.6384125     2.231292  
1 1 1 -13 5  5  o 109.2652 0.6460978 6117.688   72.34001 6179.800  143.0000 6054.100   146.4000 109.7985 1.270988  108.6742 1.314669  1.124260       1.828596  
1 1 1 -13 5  6  o 91.34778 0.5689665 4275.700   53.25779 4420.000  109.6000 4139.300   103.6000 92.86228 1.151789  89.86604 1.125034  2.996239       1.610068  
1 1 1 -13 5  7  o 117.4405 0.7066548 7067.565   85.04003 6858.100  166.7000 7285.700   173.6000 115.6610 1.406534  119.2115 1.421128  -3.550446      1.999486  
1 1 1 -13 5  8  f 114.2465 0.6833754 6688.300   80.00193 7109.500  167.8000 6304.500   152.9000 117.7626 1.390549  110.8974 1.345513  6.865204       1.934950  
1 1 1 -13 5  9  o 81.15954 0.5182437 3375.073   43.09948 3367.400  85.90000 3382.800   86.50000 81.05728 1.034196  81.24229 1.039048  -0.1850128     1.466009  
1 1 1 -13 5  10 f 109.4778 0.6725965 6141.598   75.45346 6352.400  153.5000 5937.800   148.4000 111.3175 1.345694  107.6236 1.345637  3.693947       1.903059  
1 1 1 -13 5  11 o 78.51084 0.4953423 3158.354   39.85047 3251.200  83.30000 3073.200   76.40000 79.64659 1.020656  77.43700 0.9628231 2.209595       1.403128  
1 1 1 -13 5  12 o 85.88100 0.5405853 3779.225   47.57291 3903.400  98.40000 3663.000   92.10000 87.26782 1.100380  84.53890 1.063175  2.728920       1.530090  
1 1 1 -13 5  13 o 115.8735 0.6953721 6880.247   82.56572 7042.600  166.9000 6721.300   163.4000 117.2055 1.389665  114.5005 1.392664  2.704964       1.967405  
1 1 1 -13 5  14 o 81.79346 0.5988053 3428.126   50.18831 3614.100  89.60000 3191.300   114.1000 83.97275 1.041289  78.89642 1.411335  5.076332       1.753895  
1 1 1 -13 5  15 o 94.91576 0.6874437 4616.514   66.86115 4687.100  116.9000 4522.200   156.2000 95.62328 1.193033  93.90696 1.623248  1.716324       2.014513  
1 1 1 -13 5  16 o 40.17170 0.4095490 826.8641   16.85871 794.4000  28.30000 874.7000   41.70000 39.37298 0.7014387 41.31161 0.9850665 -1.938629      1.209286  
1 1 1 -13 5  17 o 63.26497 0.4946127 2050.848   32.06468 2105.000  55.90000 1978.000   75.20000 64.08920 0.8511942 62.11823 1.181409  1.970963       1.456111  
1 1 1 -13 5  18 o 52.42633 0.5006000 1408.345   26.89296 1557.100  50.60000 1239.600   57.40000 55.11970 0.8958706 49.17540 1.139110  5.944298       1.449191  
1 1 1 -13 5  19 o 155.9590 1.075577  12468.05   171.8899 12351.60  287.3000 12641.50   427.9000 155.1608 1.806987  156.8464 2.662376  -1.685547      3.217678  
1 1 1 -13 5  20 o 141.3882 0.9744539 10246.68   141.1799 9963.600  235.1000 10672.20   353.4000 139.3654 1.646263  144.1368 2.392728  -4.771423      2.904364  
1 1 1 -13 5  21 o 123.7784 0.8551412 7852.603   108.4629 7976.700  188.2000 7683.800   256.0000 124.7087 1.472734  122.3378 2.042118  2.370911       2.517775  
1 1 1 -13 5  22 o 88.84943 0.6530507 4045.552   59.45658 4165.400  107.2000 3896.300   133.5000 90.13348 1.160674  87.15253 1.494868  2.980949       1.892563  
1 1 1 -13 5  23 o 101.2168 0.7392504 5250.707   76.67299 5313.700  132.7000 5164.500   181.6000 101.7889 1.272249  100.3038 1.766851  1.485062       2.177241  
1 1 1 -13 5  24 o 88.70432 0.5780148 4032.342   52.53904 4011.100  107.9000 4052.500   102.4000 88.43758 1.190656  88.89749 1.124118  -0.4599075     1.637469  
1 1 1 -13 5  25 o 31.30140 0.3458920 502.0381   11.09437 488.5000  21.70000 516.2000   22.70000 30.87221 0.6859520 31.73522 0.6980491 -0.8630142     0.9786740 
1 1 1 -13 5  26 o 53.73254 0.4122442 1479.489   22.69814 1526.800  50.10000 1440.300   41.50000 54.56880 0.8959730 53.00589 0.7640567 1.562912       1.177519  
1 1 1 -13 5  27 o 14.17492 0.6505396 103.2104   9.423958 93.90000  21.80000 110.3000   16.60000 13.42241 1.617566  14.62010 1.116496  -1.197689      1.965473  
1 1 1 -13 5  28 o 22.17286 0.4358273 251.9516   9.902267 255.2000  20.80000 249.0000   18.90000 22.28758 0.9126869 22.01944 0.8391755 0.2681408      1.239844  
1 1 1 -13 5  29 o 23.40562 0.4720487 280.7686   11.32153 273.3000  27.80000 285.9000   19.10000 23.04261 1.181318  23.59844 0.7909806 -0.5558319     1.421676  
1 1 1 -13 6  1  o 81.03107 1.489772  0.000000   0.000000 ?         ?        3366.700   123.7000 ?        ?         81.03107 1.489772  0.000000       1.489772  
1 1 1 -13 6  2  o 58.52311 1.170608  0.000000   0.000000 ?         ?        1755.600   70.20000 ?        ?         58.52311 1.170608  0.000000       1.170608  
1 1 1 -13 6  3  o 141.3731 1.198828  10245.00   173.6689 10582.10  345.3000 9903.900   349.4000 143.5819 2.346920  138.8926 2.454965  4.689316       3.396305  
1 1 1 -13 6  4  o 68.00323 0.4379245 2369.492   30.51597 2351.900  60.00000 2387.700   62.10000 67.74406 0.8643341 68.25725 0.8878599 -0.5131836     1.239100  
1 1 1 -13 6  5  o 94.76134 0.5657968 4601.259   54.94017 4385.300  104.7000 4839.700   115.6000 92.49707 1.104639  97.16915 1.160997  -4.672081      1.602542  
1 1 1 -13 6  6  o 44.20673 0.3255819 1001.291   14.74847 990.7000  29.20000 1012.100   29.80000 43.97004 0.6480785 44.44234 0.6543664 -0.4723015     0.9209783 
1 1 1 -13 6  7  o 57.12525 0.3879471 1672.038   22.70905 1576.100  41.40000 1788.600   50.30000 55.45871 0.7285045 59.07763 0.8308958 -3.618919      1.105037  
1 1 1 -13 6  8  o 82.74857 0.5305052 3508.567   44.98301 3359.900  87.30000 3666.600   92.80000 80.96539 1.052244  84.57952 1.070741  -3.614128      1.501234  
1 1 1 -13 6  9  o 147.0982 0.8491305 11088.88   127.9912 10703.40  249.6000 11494.60   262.7000 144.4677 1.686069  149.7098 1.712424  -5.242126      2.403170  
1 1 1 -13 6  10 o 140.6260 0.9493266 10135.19   136.7980 10198.80  237.3000 10048.60   323.0000 141.0239 1.642127  139.9255 2.252721  1.098404       2.787711  
1 1 1 -13 6  11 o 90.32232 0.6385448 4180.411   59.09963 4051.700  98.70000 4372.500   147.3000 88.90932 1.083357  92.34234 1.556695  -3.433014      1.896565  
1 1 1 -13 6  12 o 111.5076 0.7684463 6371.859   87.80439 6407.800  152.0000 6322.700   207.9000 111.7989 1.326807  111.0236 1.827431  0.7753220      2.258300  
1 1 1 -13 6  13 o 121.9463 0.8444564 7621.066   105.5223 7341.000  175.3000 8044.600   265.1000 119.6564 1.429709  125.2101 2.066198  -5.553680      2.512617  
1 1 1 -13 6  14 o 76.86330 0.5814301 3027.331   45.79467 3078.500  79.40000 2957.600   108.2000 77.50085 0.9998057 75.95092 1.390259  1.549934       1.712435  
1 1 1 -13 6  15 o 134.5740 0.9480253 9281.972   130.7313 8911.600  218.3000 9834.900   325.9000 131.8186 1.616139  138.4084 2.297861  -6.589783      2.809283  
1 1 1 -13 6  16 o 71.43630 0.5747836 2614.953   42.07476 2618.700  73.90000 2610.000   97.70000 71.47760 1.008965  71.34778 1.336336  0.1298218      1.674456  
1 1 1 -13 6  17 o 69.99072 0.5463245 2510.180   39.18226 2711.000  72.40000 2273.300   85.40000 72.72650 0.9715105 66.58837 1.251587  6.138130       1.584394  
1 1 1 -13 6  18 o 65.28606 0.5162539 2184.052   34.53680 2135.600  59.20000 2251.900   82.90000 64.54984 0.8950107 66.27357 1.220719  -1.723732      1.513671  
1 1 1 -13 6  19 o 54.54091 0.4479564 1524.250   25.03551 1409.000  39.10000 1729.400   69.60000 52.43419 0.7277191 58.07872 1.169483  -5.644527      1.377412  
1 1 1 -13 6  20 o 88.53996 0.5563729 4017.151   50.47818 3953.300  95.40000 4088.900   107.2000 87.81456 1.060189  89.30203 1.171480  -1.487473      1.579990  
1 1 1 -13 6  21 o 63.15167 0.4386844 2043.561   28.38804 1994.400  54.80000 2096.400   58.90000 62.37741 0.8573434 63.95123 0.8988104 -1.573818      1.242134  
1 1 1 -13 6  22 o 84.87193 0.5299867 3691.276   46.09219 3590.900  91.00000 3794.300   93.40000 83.68680 1.061173  86.02440 1.059563  -2.337601      1.499587  
1 1 1 -13 6  23 o 73.40170 0.4892929 2760.943   36.80217 2532.400  70.00000 3014.300   77.60000 70.27979 0.9720067 76.67480 0.9876674 -6.395012      1.385743  
1 1 1 -13 6  24 o 74.95123 0.5030473 2878.847   38.63545 2984.100  78.80000 2777.600   75.80000 76.28454 1.008071  73.59796 1.005090  2.686577       1.423522  
1 1 1 -13 6  25 o 28.78848 0.7837892 0.000000   0.000000 ?         ?        425.2000   23.10000 ?        ?         28.78848 0.7837892 0.000000       0.7837892 
1 1 1 -13 6  26 o 68.64622 0.5500369 2415.199   38.69072 2295.500  85.90000 2513.300   70.40000 66.87467 1.253525  69.99985 0.9814704 -3.125175      1.592046  
1 1 1 -13 6  27 o 60.19699 0.5161282 1857.257   31.83690 1814.900  71.80000 1891.000   57.20000 59.46225 1.178378  60.71801 0.9193485 -1.255760      1.494583  
1 1 1 -13 6  28 o 96.68041 0.7223796 4792.744   71.56528 5162.300  190.3000 4570.000   114.7000 100.1205 1.854887  94.34465 1.186445  5.775833       2.201876  
1 1 1 -13 7  1  o 49.34061 0.8702615 0.000000   0.000000 ?         ?        1247.700   44.00000 ?        ?         49.34061 0.8702615 0.000000       0.8702615 
1 1 1 -13 7  2  o 59.61010 1.409564  0.000000   0.000000 ?         ?        1822.000   86.10000 ?        ?         59.61010 1.409564  0.000000       1.409564  
1 1 1 -13 7  3  o 162.2976 2.625265  0.000000   0.000000 ?         ?        13531.50   436.6000 ?        ?         162.2976 2.625265  0.000000       2.625265  
1 1 1 -13 7  4  o 187.9819 1.526921  18121.07   294.1243 18587.80  605.0000 17679.50   572.4000 190.1243 3.105413  185.4408 3.012284  4.683472       4.326366  
1 1 1 -13 7  5  o 34.67412 1.325239  617.3000   47.00000 617.3000  47.00000 ?          ?        34.67412 1.325239  ?        ?         0.000000       1.325239  
1 1 1 -13 7  6  o 60.02933 0.4411024 1846.404   27.13321 1769.500  45.60000 1959.400   67.00000 58.76176 0.7573065 61.82827 1.057522  -3.066509      1.300717  
1 1 1 -13 7  7  o 147.0804 0.9676331 11087.39   145.8357 11223.80  254.2000 10903.80   342.1000 147.9308 1.676944  145.7408 2.290728  2.190033       2.838939  
1 1 1 -13 7  8  o 118.0252 0.7930164 7138.715   95.90810 7377.600  168.8000 6824.400   222.1000 119.9555 1.373263  115.3351 1.879268  4.620453       2.327553  
1 1 1 -13 7  9  o 146.1793 0.9779560 10952.12   146.4886 10883.90  250.4000 11048.30   353.0000 145.6719 1.677491  146.6927 2.348377  -1.020798      2.885975  
1 1 1 -13 7  10 o 109.2111 1.306418  6114.900   146.2000 6114.900  146.2000 ?          ?        109.2111 1.306418  ?        ?         0.000000       1.306418  
1 1 1 -13 7  11 o 64.16526 0.4873031 2109.644   32.04037 2034.700  55.50000 2212.000   75.80000 63.00897 0.8595918 65.68999 1.126086  -2.681026      1.416675  
1 1 1 -13 7  12 o 101.3892 0.7130075 5267.948   74.07713 5092.400  122.5000 5536.500   187.4000 99.66672 1.199465  103.8868 1.760399  -4.220039      2.130192  
1 1 1 -13 7  13 o 126.9538 0.8620547 8260.310   112.1447 8369.400  194.8000 8112.300   264.3000 127.7495 1.488097  125.7190 2.051625  2.030548       2.534482  
1 1 1 -13 7  14 o 28.98873 0.3777742 430.5803   11.22173 517.7000  21.00000 330.6000   24.10000 31.78446 0.6447718 25.38016 0.9282319 6.404301       1.130197  
1 1 1 -13 7  15 o 25.75362 0.4229556 339.8454   11.16173 318.1000  20.10000 367.0000   25.10000 24.90099 0.7887314 26.74287 0.9172986 -1.841881      1.209766  
1 1 1 -13 7  16 o 155.4047 0.8987523 12378.55   143.1207 13026.60  302.8000 11797.70   271.4000 159.3173 1.854789  151.6309 1.746722  7.686401       2.547799  
1 1 1 -13 7  17 o 52.97831 0.3938404 1438.135   21.38044 1394.300  40.10000 1488.200   45.80000 52.15915 0.7502664 53.88512 0.8294653 -1.725975      1.118442  
1 1 1 -13 7  18 o 70.71671 0.4620028 2562.503   33.47843 2570.300  65.30000 2554.300   68.70000 70.81242 0.8999230 70.58986 0.9497647 0.2225647      1.308401  
1 1 1 -13 7  19 o 35.16203 0.3372127 633.5001   12.15000 678.0000  24.30000 589.0000   24.30000 36.37257 0.6519796 33.90066 0.6995194 2.471909       0.9562451 
1 1 1 -13 7  20 o 49.06018 0.3775112 1233.298   18.97830 1372.400  41.60000 1116.600   34.90000 51.74479 0.7845640 46.67530 0.7296927 5.069489       1.071444  
1 1 1 -13 7  21 o 32.61203 0.3269211 544.9524   10.92494 543.9000  21.90000 546.0000   21.80000 32.57661 0.6560543 32.63951 0.6518002 -0.6289673E-01 0.9247977 
1 1 1 -13 7  22 o 98.32525 0.5996734 4954.833   60.41966 4766.100  116.0000 5160.000   126.1000 96.39336 1.174390  100.2923 1.227013  -3.898911      1.698456  
1 1 1 -13 7  23 o 40.47461 0.3608805 839.4370   14.96733 864.4000  31.40000 816.7000   28.60000 41.06358 0.7462330 39.91581 0.6992344 1.147774       1.022640  
1 1 1 -13 7  24 o 43.21093 0.3508685 956.7866   15.53590 859.5000  29.20000 1067.400   33.20000 40.94696 0.6959255 45.63075 0.7100388 -4.683784      0.9942170 
1 1 1 -13 7  25 o 46.01714 0.4344447 1085.205   20.48578 1083.800  49.40000 1086.200   35.00000 45.96080 1.048917  46.02768 0.7420797 -0.6688309E-01 1.284877  
1 1 1 -13 7  26 o 56.11739 0.4683608 1613.986   26.93248 1506.200  61.20000 1698.700   48.10000 54.17256 1.102488  57.55291 0.8156042 -3.380352      1.371382  
1 1 1 -13 7  27 o 43.70185 0.4087459 978.7745   18.30424 1040.100  48.50000 941.6000   29.40000 45.01675 1.051403  42.85437 0.6695049 2.162373       1.246469  
1 1 1 -13 8  1  o 56.93491 0.8878768 0.000000   0.000000 ?         ?        1661.500   51.80000 ?        ?         56.93491 0.8878768 0.000000       0.8878768 
1 1 1 -13 8  2  o 46.24986 1.093002  0.000000   0.000000 ?         ?        1096.600   51.80000 ?        ?         46.24986 1.093002  0.000000       1.093002  
1 1 1 -13 8  3  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -13 8  4  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -13 8  5  o 125.7705 2.102772  8121.400   271.0000 8121.400  271.0000 ?          ?        125.7705 2.102772  ?        ?         0.000000       2.102772  
1 1 1 -13 8  6  o 143.1092 2.452188  10522.70   359.6000 10522.70  359.6000 ?          ?        143.1092 2.452188  ?        ?         0.000000       2.452188  
1 1 1 -13 8  7  o 152.3853 1.725907  11914.10   269.5000 11914.10  269.5000 ?          ?        152.3853 1.725907  ?        ?         0.000000       1.725907  
1 1 1 -13 8  8  o 18.33254 0.5916586 172.4000   11.10000 172.4000  11.10000 ?          ?        18.33254 0.5916586 ?        ?         0.000000       0.5916586 
1 1 1 -13 8  9  o 98.97788 1.165416  5022.600   118.2000 5022.600  118.2000 ?          ?        98.97788 1.165416  ?        ?         0.000000       1.165416  
1 1 1 -13 8  10 o 62.47395 0.8388358 2000.400   53.70000 2000.400  53.70000 ?          ?        62.47395 0.8388358 ?        ?         0.000000       0.8388358 
1 1 1 -13 8  11 o 95.89753 0.6597462 4712.791   64.83099 4618.700  108.4000 4852.800   161.3000 94.91619 1.114527  97.25828 1.618488  -2.342087      1.965114  
1 1 1 -13 8  12 o 201.9168 1.324554  20907.62   274.0567 21340.70  482.2000 20337.40   634.9000 203.8104 2.308886  198.7386 3.117631  5.071808       3.879507  
1 1 1 -13 8  13 o 122.1495 0.7364953 7646.741   92.18493 8109.000  189.4000 7208.400   179.6000 125.7335 1.470045  118.5452 1.478510  7.188309       2.084952  
1 1 1 -13 8  14 o 88.71862 0.5354177 4033.357   48.67499 4045.800  97.30000 4020.900   97.40000 88.83441 1.068891  88.56039 1.073300  0.2740173      1.514760  
1 1 1 -13 8  15 o 76.35370 0.4895224 2987.375   38.30020 2842.800  72.10000 3151.200   81.70000 74.46889 0.9448481 78.40100 1.016956  -3.932114      1.388142  
1 1 1 -13 8  16 o 102.8237 0.6275115 5418.303   66.11706 5501.100  133.7000 5337.300   130.8000 103.5674 1.259825  102.0145 1.251260  1.552872       1.775615  
1 1 1 -13 8  17 o 46.31910 0.3588447 1099.326   17.03197 1013.400  31.00000 1204.100   37.80000 44.46706 0.6803384 48.46878 0.7610817 -4.001728      1.020836  
1 1 1 -13 8  18 o 25.66586 0.3392243 337.5333   8.921569 339.2000  17.50000 335.8000   18.20000 25.71752 0.6646219 25.58703 0.6947927 0.1304836      0.9614880 
1 1 1 -13 8  19 o 59.02285 0.4133925 1785.122   25.00237 1991.700  56.90000 1623.200   44.60000 62.32901 0.8908891 56.27275 0.7734608 6.056263       1.179799  
1 1 1 -13 8  20 o 64.43120 0.4361650 2127.325   28.79688 2167.700  57.00000 2086.100   58.20000 65.02417 0.8554639 63.78684 0.8904171 1.237328       1.234772  
1 1 1 -13 8  21 o 57.38536 0.4056231 1687.496   23.85185 1535.700  42.00000 1887.000   55.20000 54.73258 0.7488675 60.66368 0.8879979 -5.931099      1.161612  
1 1 1 -13 8  22 o 51.13188 0.3658878 1339.734   19.17070 1434.600  39.90000 1252.000   36.90000 52.89890 0.7360849 49.41810 0.7286885 3.480793       1.035764  
1 1 1 -13 8  23 o 75.14635 0.5605289 2894.405   43.16228 3116.400  113.1000 2757.400   69.80000 77.89032 1.417035  73.32048 0.9290344 4.569839       1.694430  
1 1 1 -13 8  24 o 30.37670 0.3688668 472.8622   11.48176 484.4000  26.10000 463.8000   20.50000 30.72165 0.8298423 30.07756 0.6651396 0.6440811      1.063508  
1 1 1 -13 8  25 o 45.31358 0.4247207 1052.324   19.72106 1156.700  53.90000 992.1000   31.10000 47.46826 1.108121  43.98752 0.6899737 3.480740       1.305372  
1 1 1 -13 9  1  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -13 9  2  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -13 9  3  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -13 9  4  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -13 9  5  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -13 9  6  o 55.75658 1.282949  1594.400   73.30000 1594.400  73.30000 ?          ?        55.75658 1.282949  ?        ?         0.000000       1.282949  
1 1 1 -13 9  7  o 32.83189 1.095373  553.3000   36.80000 553.3000  36.80000 ?          ?        32.83189 1.095373  ?        ?         0.000000       1.095373  
1 1 1 -13 9  8  o 24.68697 0.8829553 312.8000   22.30000 312.8000  22.30000 ?          ?        24.68697 0.8829553 ?        ?         0.000000       0.8829553 
1 1 1 -13 9  9  o 55.75872 1.975602  0.000000   0.000000 ?         ?        1598.800   112.7000 ?        ?         55.75872 1.975602  0.000000       1.975602  
1 1 1 -13 9  10 o 17.54667 0.4774043 157.8857   8.575822 141.6000  11.90000 199.9000   30.70000 16.60707 0.7008629 19.67816 1.534620  -3.071093      1.687089  
1 1 1 -13 9  11 o 102.0237 0.7021998 5334.726   73.41083 5200.900  120.4000 5543.800   188.1000 100.7070 1.166725  103.9135 1.766520  -3.206467      2.117036  
1 1 1 -13 9  12 o 87.53117 0.6290535 3926.552   56.42203 3900.100  92.00000 3968.500   145.9000 87.21606 1.029421  87.93062 1.619261  -0.7145615     1.918779  
1 1 1 -13 9  13 o 67.59096 0.5080301 2341.129   35.18653 2315.200  59.60000 2378.500   85.90000 67.20387 0.8654732 68.09781 1.231010  -0.8939438     1.504802  
1 1 1 -13 9  14 o 72.44611 0.5830147 2689.731   43.28057 2784.200  74.70000 2559.600   102.9000 73.68977 0.9892703 70.62752 1.421815  3.062256       1.732113  
1 1 1 -13 9  15 o 76.59124 0.5760943 3006.363   45.21380 3067.800  78.90000 2923.900   105.9000 77.34961 0.9954524 75.48721 1.369066  1.862404       1.692710  
1 1 1 -13 9  16 o 41.66463 0.4078049 889.5392   17.41078 990.8000  30.10000 750.6000   41.30000 43.96692 0.6681010 38.24274 1.054916  5.724171       1.248682  
1 1 1 -13 9  17 o 33.30038 0.3961550 568.2374   13.51801 556.4000  21.30000 588.8000   37.00000 32.94803 0.6308872 33.86539 1.067555  -0.9173584     1.240037  
1 1 1 -13 9  18 o 85.48556 0.6386586 3745.721   55.94483 4002.000  101.4000 3430.300   124.8000 88.32327 1.120378  81.73126 1.490143  6.592010       1.864342  
1 1 1 -13 9  19 o 43.13528 0.4217207 953.5020   18.64043 959.0000  29.90000 944.4000   49.50000 43.25264 0.6746215 42.88748 1.127335  0.3651581      1.313773  
1 1 1 -13 9  20 o 41.20140 0.4775144 869.9944   20.16030 873.0000  37.50000 866.5000   43.60000 41.25808 0.8870005 41.08380 1.036488  0.1742859      1.364213  
1 1 1 -13 9  21 o 72.31815 0.6568288 2681.164   48.67409 2784.500  100.6000 2584.300   94.30000 73.62974 1.333357  70.93813 1.297280  2.691612       1.860316  
1 1 1 -13 9  22 o 83.36234 0.7539756 3563.561   64.40588 3953.400  135.2000 3208.900   123.0000 87.69068 1.504613  79.00079 1.519411  8.689896       2.138334  
1 1 1 -13 9  23 o 82.36066 0.7113701 3478.337   60.03629 3573.800  123.2000 3387.600   117.1000 83.37482 1.442040  81.18035 1.407692  2.194473       2.015211  
1 1 1 -13 10 1  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -13 10 2  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -13 10 3  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -13 10 4  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -13 10 5  o 31.60636 1.014060  0.000000   0.000000 ?         ?        512.8000   32.80000 ?        ?         31.60636 1.014060  0.000000       1.014060  
1 1 1 -13 10 6  o 115.4495 1.982222  0.000000   0.000000 ?         ?        6851.900   234.5000 ?        ?         115.4495 1.982222  0.000000       1.982222  
1 1 1 -13 10 7  o 31.34250 0.4839260 503.4112   15.54215 500.5000  29.30000 506.7000   33.10000 31.23023 0.9165670 31.41679 1.029567  -0.1865654     1.378442  
1 1 1 -13 10 8  o 46.74236 0.5036933 1119.657   24.12543 1075.500  43.10000 1175.800   54.80000 45.79970 0.9183669 47.87936 1.116950  -2.079655      1.446021  
1 1 1 -13 10 9  f 20.49461 0.3983828 215.2328   8.366400 202.7000  12.60000 240.0000   24.90000 19.87737 0.6193606 21.60171 1.128814  -1.724342      1.287567  
1 1 1 -13 10 10 o 34.43847 0.3845825 607.7347   13.57162 591.2000  21.40000 636.4000   37.10000 33.96323 0.6149028 35.21183 1.029327  -1.248600      1.199008  
1 1 1 -13 10 11 o 81.61300 0.5954082 3413.739   49.79349 3253.400  80.90000 3670.400   129.5000 79.65008 0.9912060 84.55157 1.494685  -4.901489      1.793481  
1 1 1 -13 10 12 o 2.953459 1.394472  -12.76667  11.05000 -19.00000 25.50000 -8.000000  19.50000 4.870156 2.237209  4.588753 2.045852  0.2814035      3.031603  
1 1 1 -13 10 13 o 69.67591 0.5262364 2488.037   37.57179 2376.000  62.50000 2656.900   94.20000 68.07073 0.8960273 71.95158 1.277651  -3.880852      1.560531  
1 1 1 -13 10 14 o 49.62068 0.4428933 1261.791   22.51958 1282.600  37.40000 1230.300   56.60000 50.01891 0.7296911 48.96857 1.127978  1.050339       1.343422  
1 1 1 -13 10 15 o 18.40177 0.5178549 173.6872   9.755148 160.4000  14.70000 199.9000   29.00000 17.66808 0.8141389 19.67539 1.448544  -2.007307      1.661656  
1 1 1 -13 10 16 o 59.61960 0.5716291 1821.903   34.92221 1835.100  66.70000 1807.400   73.30000 59.80283 1.088443  59.33974 1.205480  0.4630852      1.624158  
1 1 1 -13 10 17 o 78.72505 0.6755188 3177.327   54.49401 3136.100  103.9000 3222.800   114.6000 78.14792 1.297477  79.20422 1.412010  -1.056305      1.917608  
1 1 1 -13 10 18 o 56.44867 0.5508471 1633.312   31.86275 1757.500  65.00000 1513.900   62.50000 58.51800 1.083991  54.30790 1.123101  4.210102       1.560894  
1 1 1 -13 10 19 o 45.98200 0.4875595 1083.694   22.97280 1161.600  46.40000 1007.300   45.50000 47.58107 0.9516678 44.30489 1.002216  3.276188       1.382067  
1 1 1 -13 10 20 o 57.36171 0.5532005 1686.698   32.51644 1627.400  60.50000 1755.600   70.30000 56.30663 1.048570  58.46872 1.173366  -2.162090      1.573622  
1 1 1 -13 10 21 o 72.00149 0.6477233 2658.121   47.78916 2549.200  87.50000 2789.200   105.3000 70.44530 1.212154  73.65572 1.395158  -3.210426      1.848184  
1 1 1 -13 11 1  o 43.65181 1.066394  0.000000   0.000000 ?         ?        977.9000   47.70000 ?        ?         43.65181 1.066394  0.000000       1.066394  
1 1 1 -13 11 2  o 28.12150 1.063820  0.000000   0.000000 ?         ?        406.4000   30.60000 ?        ?         28.12150 1.063820  0.000000       1.063820  
1 1 1 -13 11 3  o 14.35188 1.447713  0.000000   0.000000 ?         ?        106.9000   21.00000 ?        ?         14.35188 1.447713  0.000000       1.447713  
1 1 1 -13 11 4  o 5.347128 2.399605  0.000000   0.000000 ?         ?        -12.80000  27.30000 ?        ?         5.347128 2.399605  0.000000       2.399605  
1 1 1 -13 11 5  o 46.23632 1.143978  0.000000   0.000000 ?         ?        1097.200   54.20000 ?        ?         46.23632 1.143978  0.000000       1.143978  
1 1 1 -13 11 6  o 17.42917 1.742276  0.000000   0.000000 ?         ?        157.8000   30.70000 ?        ?         17.42917 1.742276  0.000000       1.742276  
1 1 1 -13 11 7  o 85.33672 1.574706  0.000000   0.000000 ?         ?        3743.300   137.7000 ?        ?         85.33672 1.574706  0.000000       1.574706  
1 1 1 -13 11 8  o 83.11958 1.476995  0.000000   0.000000 ?         ?        3550.000   125.8000 ?        ?         83.11958 1.476995  0.000000       1.476995  
1 1 1 -13 11 9  o 15.75578 1.634105  0.000000   0.000000 ?         ?        129.0000   26.00000 ?        ?         15.75578 1.634105  0.000000       1.634105  
1 1 1 -13 11 10 o 82.16067 1.525115  0.000000   0.000000 ?         ?        3469.600   128.4000 ?        ?         82.16067 1.525115  0.000000       1.525115  
1 1 1 -13 11 11 o 42.56465 0.4778153 928.5533   20.84047 920.2000  36.60000 939.6000   48.40000 42.35831 0.8432263 42.77286 1.105205  -0.4145508     1.390147  
1 1 1 -13 11 12 o 47.73677 0.4724504 1167.931   23.11041 1072.200  39.60000 1302.100   55.50000 45.72201 0.8452234 50.36959 1.075291  -4.647583      1.367719  
1 1 1 -13 11 13 o 68.64304 0.6136945 2415.530   43.16653 2433.600  82.70000 2395.800   90.30000 68.84663 1.172261  68.29465 1.290336  0.5519791      1.743319  
1 1 1 -13 11 14 f 11.24712 0.6524165 65.07332   7.486804 37.60000  11.10000 122.0000   23.00000 8.454131 1.324800  15.33336 1.482296  -6.879225      1.988039  
1 1 1 -13 11 15 o 83.99731 0.7088335 3617.960   61.01098 3644.600  120.2000 3590.500   123.9000 84.20493 1.393056  83.56699 1.446899  0.6379471      2.008512  
1 1 1 -13 11 16 o 78.10066 0.6875120 3127.798   55.02162 3110.500  107.6000 3145.900   112.6000 77.79222 1.349826  78.22326 1.404766  -0.4310379     1.948178  
1 1 1 -13 11 17 o 32.50901 0.4093554 541.6376   13.63649 515.8000  23.60000 577.0000   32.30000 31.71374 0.7262166 33.51833 0.9413521 -1.804590      1.188922  
1 1 1 -13 12 2  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -13 12 3  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -13 12 4  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -13 12 5  f 5.206184 2.245465  0.000000   0.000000 ?         ?        -2.200000  21.80000 ?        ?         5.206184 2.245465  0.000000       2.245465  
1 1 1 -13 12 6  o 28.22599 1.087666  0.000000   0.000000 ?         ?        409.7000   31.40000 ?        ?         28.22599 1.087666  0.000000       1.087666  
1 1 1 -13 12 7  o 32.92997 0.9552684 0.000000   0.000000 ?         ?        557.0000   32.20000 ?        ?         32.92997 0.9552684 0.000000       0.9552684 
1 1 1 -13 12 8  o 39.06530 1.030118  0.000000   0.000000 ?         ?        784.0000   41.20000 ?        ?         39.06530 1.030118  0.000000       1.030118  
1 1 1 -13 12 9  o 8.937573 2.493677  0.000000   0.000000 ?         ?        42.60000   23.70000 ?        ?         8.937573 2.493677  0.000000       2.493677  
1 1 1 -13 12 10 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -13 12 11 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -12 0  1  o 215.7900 2.493957  23883.10   551.3000 23883.10  551.3000 23883.10   551.3000 215.7900 2.493957  215.7900 2.493957  0.000000       0.000000  
1 1 1 -12 0  2  o 100.1212 1.237333  5139.100   126.9000 5139.100  126.9000 5139.100   126.9000 100.1212 1.237333  100.1212 1.237333  0.000000       0.000000  
1 1 1 -12 0  3  o 9.535533 1.371880  49.40000   12.60000 49.40000  12.60000 49.40000   12.60000 9.535533 1.371880  9.535533 1.371880  -0.000000      0.000000  
1 1 1 -12 0  4  o 100.4746 1.262144  5175.500   129.9000 5175.500  129.9000 5175.500   129.9000 100.4746 1.262144  100.4746 1.262144  0.000000       0.000000  
1 1 1 -12 0  5  o 227.9376 2.617568  26647.20   611.2000 26647.20  611.2000 26647.20   611.2000 227.9376 2.617568  227.9376 2.617568  -0.000000      0.000000  
1 1 1 -12 0  6  f 74.95201 1.027731  2880.200   78.90000 2880.200  78.90000 2880.200   78.90000 74.95201 1.027731  74.95201 1.027731  -0.000000      0.000000  
1 1 1 -12 0  7  o 21.54345 0.7631942 238.7000   16.80000 238.7000  16.80000 238.7000   16.80000 21.54345 0.7631942 21.54345 0.7631942 -0.000000      0.000000  
1 1 1 -12 0  8  o 187.9708 2.276802  18119.90   438.4000 18119.90  438.4000 18119.90   438.4000 187.9708 2.276802  187.9708 2.276802  0.000000       0.000000  
1 1 1 -12 0  9  o 196.1875 2.350112  19739.40   472.3000 19739.40  472.3000 19739.40   472.3000 196.1875 2.350112  196.1875 2.350112  -0.000000      0.000000  
1 1 1 -12 0  10 o 84.00060 1.097130  3617.500   94.40000 3617.500  94.40000 3617.500   94.40000 84.00060 1.097130  84.00060 1.097130  0.000000       0.000000  
1 1 1 -12 0  11 o 75.79999 1.016214  2945.700   78.90000 2945.700  78.90000 2945.700   78.90000 75.79999 1.016214  75.79999 1.016214  -0.000000      0.000000  
1 1 1 -12 0  12 o 52.16294 0.8779906 1395.400   46.90000 1395.400  46.90000 1395.400   46.90000 52.16294 0.8779906 52.16294 0.8779906 -0.000000      0.000000  
1 1 1 -12 0  13 o 43.10440 0.7204116 952.8000   31.80000 952.8000  31.80000 952.8000   31.80000 43.10440 0.7204116 43.10440 0.7204116 0.000000       0.000000  
1 1 1 -12 0  14 o 226.8154 2.666709  26391.90   619.6000 26391.90  619.6000 26391.90   619.6000 226.8154 2.666709  226.8154 2.666709  -0.000000      0.000000  
1 1 1 -12 0  15 o 81.71929 1.079982  3423.800   90.40000 3423.800  90.40000 3423.800   90.40000 81.71929 1.079982  81.71929 1.079982  -0.000000      0.000000  
1 1 1 -12 0  16 o ?        ?         -70.40000  15.60000 -70.40000 15.60000 -70.40000  15.60000 ?        ?         ?        ?         0.000000       0.000000  
1 1 1 -12 0  17 o 210.4358 2.445623  22715.80   527.2000 22715.80  527.2000 22715.80   527.2000 210.4358 2.445623  210.4358 2.445623  -0.000000      0.000000  
1 1 1 -12 0  18 o 70.57696 1.008477  2554.000   72.90000 2554.000  72.90000 2554.000   72.90000 70.57696 1.008477  70.57696 1.008477  0.000000       0.000000  
1 1 1 -12 0  19 o 78.74927 1.139398  3179.900   91.90000 3179.900  91.90000 3179.900   91.90000 78.74927 1.139398  78.74927 1.139398  -0.000000      0.000000  
1 1 1 -12 0  20 o 189.3384 2.219063  18388.10   430.4000 18388.10  430.4000 18388.10   430.4000 189.3384 2.219063  189.3384 2.219063  0.000000       0.000000  
1 1 1 -12 0  21 o 27.91710 0.7879468 400.3000   22.50000 400.3000  22.50000 400.3000   22.50000 27.91710 0.7879468 27.91710 0.7879468 0.000000       0.000000  
1 1 1 -12 0  22 o 76.09727 1.040486  2969.100   81.10000 2969.100  81.10000 2969.100   81.10000 76.09727 1.040486  76.09727 1.040486  0.000000       0.000000  
1 1 1 -12 0  23 o 58.69126 0.9399999 1766.500   56.50000 1766.500  56.50000 1766.500   56.50000 58.69126 0.9399999 58.69126 0.9399999 -0.000000      0.000000  
1 1 1 -12 0  24 o 41.77937 0.7971698 895.4000   34.10000 895.4000  34.10000 895.4000   34.10000 41.77937 0.7971698 41.77937 0.7971698 0.000000       0.000000  
1 1 1 -12 0  25 o 69.75655 1.011954  2495.200   72.30000 2495.200  72.30000 2495.200   72.30000 69.75655 1.011954  69.75655 1.011954  0.000000       0.000000  
1 1 1 -12 0  26 o 55.61597 0.9235446 1586.400   52.60000 1586.400  52.60000 1586.400   52.60000 55.61597 0.9235446 55.61597 0.9235446 0.000000       0.000000  
1 1 1 -12 0  27 o 104.8076 1.413098  5634.100   151.7000 5634.100  151.7000 5634.100   151.7000 104.8076 1.413098  104.8076 1.413098  0.000000       0.000000  
1 1 1 -12 0  28 o 53.29987 0.8298719 1456.900   45.30000 1456.900  45.30000 1456.900   45.30000 53.29987 0.8298719 53.29987 0.8298719 0.000000       0.000000  
1 1 1 -12 0  29 o 121.5336 1.504503  7577.500   187.3000 7577.500  187.3000 7577.500   187.3000 121.5336 1.504503  121.5336 1.504503  0.000000       0.000000  
1 1 1 -12 0  30 o 85.73298 1.126209  3770.000   98.90000 3770.000  98.90000 3770.000   98.90000 85.73298 1.126209  85.73298 1.126209  0.000000       0.000000  
1 1 1 -12 0  31 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -12 0  32 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -12 0  33 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -12 1  1  o 185.0343 1.063347  17546.05   201.6163 17356.50  400.6000 17738.10   405.9000 183.9648 2.125093  185.9757 2.129926  -2.010895      3.008755  
1 1 1 -12 1  2  o 95.41406 0.6015544 4664.722   58.81467 4926.600  124.1000 4428.800   111.8000 98.04392 1.235244  92.96013 1.173672  5.083794       1.703917  
1 1 1 -12 1  3  o 188.7684 1.095073  18261.29   211.8218 18290.00  425.3000 18232.80   422.0000 188.8480 2.197783  188.5535 2.184134  0.2944183      3.098498  
1 1 1 -12 1  4  o 169.0246 1.001850  14640.43   173.5206 14774.20  348.8000 14508.00   345.3000 169.7449 2.005309  168.2088 2.003316  1.536057       2.834526  
1 1 1 -12 1  5  o 45.23481 0.3575867 1048.394   16.57496 978.5000  33.10000 1118.500   33.20000 43.69918 0.7391904 46.72116 0.6934675 -3.021980      1.013558  
1 1 1 -12 1  6  o 316.7735 1.787920  51443.77   580.3571 51276.90  1154.300 51612.50   1167.200 315.9706 3.565116  316.9968 3.593288  -1.026184      5.061795  
1 1 1 -12 1  7  o 24.01090 0.3235339 295.3889   7.960248 264.8000  14.40000 333.2000   17.80000 22.72468 0.6189721 25.49138 0.6820537 -2.766708      0.9210449 
1 1 1 -12 1  8  o 146.1662 0.8793181 10947.83   131.7017 10778.00  256.4000 11127.20   270.8000 144.9966 1.725686  147.3233 1.793820  -2.326706      2.489133  
1 1 1 -12 1  9  o 183.8886 1.060974  17329.12   199.9207 17401.00  401.7000 17257.90   398.0000 184.2065 2.128132  183.4483 2.117244  0.7581329      3.001945  
1 1 1 -12 1  10 o 12.60045 0.5489961 81.50633   7.071478 81.40000  15.10000 81.60000   13.30000 12.54659 1.188676  12.57560 1.041437  -0.2901268E-01 1.580361  
1 1 1 -12 1  11 o 181.2211 1.071570  16830.41   198.9884 17070.00  405.1000 16599.10   391.1000 182.4360 2.166972  179.9058 2.121506  2.530167       3.032583  
1 1 1 -12 1  12 o 154.0636 0.9327836 12163.38   147.2581 12806.10  307.6000 11573.10   282.5000 158.0324 1.899511  150.2361 1.835041  7.796265       2.641120  
1 1 1 -12 1  13 o 43.64853 0.4063489 976.1682   18.17469 996.1000  36.50000 956.4000   36.20000 44.08933 0.8079063 43.20172 0.8177286 0.8876152      1.149518  
1 1 1 -12 1  14 o 76.89995 0.5218773 3030.050   41.12377 3186.300  82.70000 2875.500   81.80000 78.85023 1.023538  74.90513 1.065721  3.945099       1.477630  
1 1 1 -12 1  15 o 60.04071 0.4635809 1847.071   28.52133 1916.100  54.20000 1770.400   60.20000 61.14824 0.8650017 58.77557 0.9995426 2.372669       1.321860  
1 1 1 -12 1  16 f 161.3974 0.9695767 13349.56   160.3530 13036.20  312.1000 13680.70   329.8000 159.4359 1.910334  163.3246 1.970610  -3.888702      2.744573  
1 1 1 -12 1  17 o 74.14523 0.5286708 2816.873   40.16677 2742.700  79.20000 2893.200   81.50000 73.15432 1.056542  75.13457 1.058570  -1.980247      1.495611  
1 1 1 -12 1  18 o 105.4093 0.6679017 5693.509   72.14228 5388.300  135.8000 6039.400   153.9000 102.5277 1.292589  108.5419 1.383703  -6.014229      1.893520  
1 1 1 -12 1  19 o 65.30405 0.4707550 2185.123   31.50166 2288.500  67.20000 2093.900   59.30000 66.82392 0.9813840 63.92096 0.9053428 2.902966       1.335200  
1 1 1 -12 1  20 o 179.1552 1.054422  16450.13   193.5719 16875.70  404.4000 16059.40   371.3000 181.3612 2.176048  176.9345 2.047925  4.426636       2.988173  
1 1 1 -12 1  21 f 120.0475 0.7437801 7384.956   91.49471 7561.900  187.6000 7216.500   178.6000 121.4452 1.507489  118.6413 1.469086  2.803925       2.104931  
1 1 1 -12 1  22 o 77.21774 0.5359297 3055.221   42.40561 2807.500  77.60000 3353.700   93.50000 74.01207 1.023201  80.88892 1.128039  -6.876854      1.522961  
1 1 1 -12 1  23 o 165.6361 0.9999214 14061.32   169.7146 14147.60  344.4000 13977.50   334.6000 166.0561 2.023997  165.0600 1.978271  0.9961548      2.830216  
1 1 1 -12 1  24 o 46.76630 0.4328380 1120.637   20.74229 1051.300  40.70000 1192.700   42.30000 45.29144 0.8769603 48.24157 0.8556981 -2.950130      1.225267  
1 1 1 -12 1  25 o 23.46319 0.4258256 282.0825   10.23805 323.5000  21.20000 243.4000   19.80000 25.11052 0.8250338 21.77415 0.8892838 3.336369       1.213057  
1 1 1 -12 1  26 o 201.4317 1.358410  20806.71   280.3865 21295.40  489.8000 20152.40   655.8000 203.6071 2.347619  197.8363 3.234946  5.770752       3.997022  
1 1 1 -12 1  27 o 114.9380 0.8611930 6771.315   101.4291 6896.900  180.1000 6609.400   232.2000 115.9494 1.515817  113.4543 1.997298  2.495117       2.507370  
1 1 1 -12 1  28 o 79.04726 0.6089426 3202.171   49.32437 3256.800  86.20000 3129.100   115.3000 79.69982 1.055484  78.09777 1.440762  1.602051       1.786013  
1 1 1 -12 1  29 o 52.77701 0.5174951 1427.402   27.98655 1506.300  48.70000 1320.800   65.80000 54.20569 0.8767701 50.74235 1.265485  3.463345       1.539538  
1 1 1 -12 1  30 o 17.65113 0.7047140 159.9581   12.72067 127.0000  20.70000 212.5000   33.00000 15.67812 1.300163  20.27851 1.601088  -4.600393      2.062500  
1 1 1 -12 1  31 o 47.05293 1.142790  1136.000   55.10000 1136.000  55.10000 ?          ?        47.05293 1.142790  ?        ?         0.000000       1.142790  
1 1 1 -12 1  32 o 27.23265 1.008717  381.0000   28.10000 381.0000  28.10000 ?          ?        27.23265 1.008717  ?        ?         0.000000       1.008717  
1 1 1 -12 1  33 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -12 2  1  o 91.86491 0.5993941 4324.177   56.42356 3945.500  105.8000 4756.900   120.9000 87.74005 1.176764  96.33922 1.224686  -8.599167      1.698420  
1 1 1 -12 2  2  o 154.8461 0.9144143 12287.10   145.0914 11802.80  280.9000 12804.50   300.1000 151.7229 1.806767  158.0272 1.853258  -6.304260      2.588237  
1 1 1 -12 2  3  o 26.54948 0.3217010 361.1520   8.751988 336.1000  16.30000 390.2000   18.90000 25.61132 0.6210938 27.59552 0.6683822 -1.984194      0.9124101 
1 1 1 -12 2  4  o 197.9477 1.144011  20081.17   232.0486 19790.80  459.2000 20377.80   469.1000 196.4309 2.281359  199.3212 2.296749  -2.890320      3.237229  
1 1 1 -12 2  5  o 54.78725 0.3929908 1537.947   22.06278 1372.700  40.00000 1741.200   49.20000 51.75806 0.7541950 58.29209 0.8236774 -6.534027      1.116806  
1 1 1 -12 2  6  o 91.00200 0.5906997 4243.279   55.08281 4368.500  113.3000 4124.800   107.2000 92.32465 1.197606  89.71318 1.166112  2.611473       1.671549  
1 1 1 -12 2  7  o 190.7741 1.094632  18651.55   213.9862 19331.10  445.0000 18022.10   412.2000 194.1416 2.236882  187.4610 2.145847  6.680573       3.099726  
1 1 1 -12 2  8  o 215.8783 1.246856  23885.19   275.8186 24042.60  554.3000 23729.30   549.0000 216.4814 2.498767  215.0672 2.491150  1.414246       3.528408  
1 1 1 -12 2  9  o 212.5829 1.212276  23161.31   264.0756 22722.00  518.1000 23618.00   538.6000 210.4595 2.402408  214.5636 2.449695  -4.104095      3.431118  
1 1 1 -12 2  10 o 215.6805 1.248062  23841.90   275.8324 23421.50  536.6000 24286.60   567.6000 213.6646 2.450866  217.5633 2.546000  -3.898666      3.533958  
1 1 1 -12 2  11 o 109.5148 0.6941106 6145.568   77.89323 6309.200  161.0000 5992.200   150.9000 110.9436 1.416201  108.1225 1.361993  2.821175       1.964854  
1 1 1 -12 2  12 o 128.0726 0.7874829 8405.153   103.3465 8525.900  207.9000 8285.800   205.5000 128.9606 1.573254  127.1316 1.577465  1.829025       2.227897  
1 1 1 -12 2  13 o 90.61173 0.5984580 4207.032   55.56694 3934.100  107.0000 4501.900   115.6000 87.61171 1.191854  93.72077 1.203715  -6.109062      1.693944  
1 1 1 -12 2  14 o 84.60104 0.5760174 3667.382   49.93554 3880.100  98.20000 3447.300   101.6000 87.01032 1.101393  82.01160 1.208983  4.998726       1.635453  
1 1 1 -12 2  15 o 75.15767 0.5031818 2894.299   38.75222 2599.800  69.00000 3271.600   88.40000 71.22552 0.9453988 79.89700 1.079750  -8.671478      1.435145  
1 1 1 -12 2  16 o 179.1371 1.059643  16446.34   194.5107 16089.20  375.2000 16830.80   403.9000 177.1073 2.067417  181.1319 2.176108  -4.024643      3.001609  
1 1 1 -12 2  17 o 111.7009 0.7065498 6393.546   80.87196 6111.200  152.8000 6711.000   171.8000 109.1861 1.365707  114.4145 1.465358  -5.228348      2.003105  
1 1 1 -12 2  18 o 64.28616 0.4707158 2117.534   31.00806 2073.000  60.60000 2164.200   63.50000 63.60078 0.9298477 64.98434 0.9536008 -1.383568      1.331905  
1 1 1 -12 2  19 o 156.8836 0.9634479 12613.66   154.8831 12109.20  290.4000 13190.20   331.9000 153.6590 1.844336  160.3552 2.019881  -6.696198      2.735232  
1 1 1 -12 2  20 o 93.45084 0.6196063 4474.917   59.33315 4475.900  116.7000 4473.900   120.7000 93.44565 1.218747  93.42329 1.260822  0.2235413E-01  1.753572  
1 1 1 -12 2  21 o 170.7616 1.195355  14946.65   209.1633 14552.10  353.2000 15519.60   512.9000 168.4197 2.046583  173.8165 2.879675  -5.396729      3.532850  
1 1 1 -12 2  22 o 87.29771 0.6889127 3905.190   61.62621 3971.200  105.8000 3813.100   147.6000 88.01933 1.173030  86.22933 1.670448  1.790001       2.041175  
1 1 1 -12 2  23 o 131.0503 0.9123558 8801.844   122.5182 9088.100  218.2000 8435.300   279.4000 133.1233 1.599566  128.2082 2.126729  4.915115       2.661126  
1 1 1 -12 2  24 o 70.51916 0.5912421 2548.253   42.72389 2643.400  71.30000 2406.000   106.6000 71.81525 0.9688900 68.49610 1.518773  3.319153       1.801505  
1 1 1 -12 2  25 o 67.29318 0.5579951 2320.443   38.47688 2453.900  68.80000 2151.100   87.30000 69.19153 0.9703696 64.77067 1.315338  4.420860       1.634544  
1 1 1 -12 2  26 o 61.39013 0.5541494 1931.219   34.85971 1908.300  56.70000 1967.800   90.50000 61.01699 0.9068467 61.94240 1.425812  -0.9254074     1.689766  
1 1 1 -12 2  27 o 112.7020 0.8534611 6510.509   98.56296 6710.800  179.9000 6267.800   218.0000 114.3685 1.535063  110.4860 1.925533  3.882568       2.462539  
1 1 1 -12 2  28 o 43.35815 0.4345347 963.3077   19.30606 1031.600  36.10000 884.8000   41.50000 44.86229 0.7852852 41.54316 0.9748778 3.319122       1.251822  
1 1 1 -12 2  29 o 31.94210 0.4330974 522.8306   14.17580 516.8000  23.30000 532.2000   36.20000 31.75319 0.7160941 32.19513 1.098897  -0.4419365     1.311627  
1 1 1 -12 2  30 o 47.80217 0.4464616 1170.981   21.86906 1210.500  38.40000 1118.700   50.80000 48.59257 0.7711928 46.70135 1.061539  1.891212       1.312099  
1 1 1 -12 2  31 f 26.33445 1.076943  356.4000   29.00000 356.4000  29.00000 ?          ?        26.33445 1.076943  ?        ?         0.000000       1.076943  
1 1 1 -12 2  32 o 31.00086 0.5123518 492.5759   16.27573 537.9000  35.30000 453.8000   30.20000 32.35876 1.066050  29.72430 0.9929031 2.634460       1.456818  
1 1 1 -12 3  1  o 42.18359 0.4333375 911.7495   18.73131 921.0000  30.40000 896.9000   48.80000 42.39546 0.6997709 41.81739 1.139908  0.5780716      1.337561  
1 1 1 -12 3  2  o 34.41261 0.3293908 606.7573   11.61522 541.4000  20.50000 692.2000   26.80000 32.50536 0.6154609 36.75403 0.7115926 -4.248669      0.9408273 
1 1 1 -12 3  3  o 76.09790 0.5091159 2967.157   39.69975 3128.200  79.20000 2805.300   79.60000 78.12906 0.9892686 73.98584 1.049944  4.143219       1.442579  
1 1 1 -12 3  4  o 78.47076 0.4969923 3155.071   39.96280 3516.200  87.30000 2850.200   73.70000 82.83218 1.028530  74.57726 0.9644122 8.254913       1.409952  
1 1 1 -12 3  5  o 133.0734 0.7875609 9074.294   107.3925 9207.300  216.6000 8943.500   213.0000 134.0163 1.577257  132.0827 1.573749  1.933655       2.228099  
1 1 1 -12 3  6  o 182.0491 1.043374  16984.54   194.6376 16524.20  381.2000 17464.80   397.7000 179.4991 2.072489  184.5345 2.103196  -5.035355      2.952735  
1 1 1 -12 3  7  o 138.1798 0.8177150 9784.183   115.7830 9409.800  223.1000 10188.10   240.7000 135.4805 1.607032  140.9690 1.666304  -5.488464      2.314977  
1 1 1 -12 3  8  o 130.6793 0.7890800 8750.742   105.6638 8262.500  199.3000 9301.700   224.9000 126.9558 1.531992  134.6984 1.629404  -7.742569      2.236505  
1 1 1 -12 3  9  o 99.46738 0.6320844 5069.569   64.42496 4908.700  124.6000 5241.800   133.4000 97.86314 1.242512  101.1277 1.287322  -3.264595      1.789143  
1 1 1 -12 3  10 o 131.9448 0.7908299 8921.117   106.9237 8968.400  213.1000 8873.500   214.6000 132.2644 1.572325  131.5617 1.591849  0.7026520      2.237451  
1 1 1 -12 3  11 o 156.1394 0.9344932 12493.61   149.5158 12468.90  296.7000 12518.70   301.4000 155.9350 1.856844  156.2443 1.882525  -0.3092194     2.644196  
1 1 1 -12 3  12 o 46.98445 0.3790705 1131.078   18.25040 984.6000  32.10000 1324.100   42.30000 43.83466 0.7146427 50.83232 0.8120860 -6.997662      1.081757  
1 1 1 -12 3  13 o 49.39407 0.3936480 1250.073   19.92422 1278.500  40.10000 1222.000   39.60000 49.94960 0.7834549 48.83335 0.7913712 1.116245       1.113584  
1 1 1 -12 3  14 o 113.0771 0.6983848 6551.988   80.92221 6719.300  160.9000 6382.700   162.8000 114.4908 1.371472  111.5841 1.423815  2.906654       1.976913  
1 1 1 -12 3  15 o 92.13325 0.5826699 4349.516   55.00945 4271.500  108.2000 4430.200   111.9000 91.29094 1.156648  92.97082 1.174587  -1.679878      1.648481  
1 1 1 -12 3  16 o 55.44648 0.4138584 1575.204   23.51387 1409.100  41.30000 1794.800   54.60000 52.43858 0.7686006 59.17997 0.9003668 -6.741390      1.183810  
1 1 1 -12 3  17 o 87.81767 0.6460385 3951.699   58.13514 3993.900  103.4000 3897.500   132.8000 88.27416 1.143111  87.19112 1.486372  1.083038       1.875101  
1 1 1 -12 3  18 o 73.36730 0.5727539 2758.133   43.05950 2744.200  74.20000 2777.400   102.6000 73.17477 0.9895645 73.60669 1.360291  -0.4319153     1.682150  
1 1 1 -12 3  19 o 68.11845 0.5436990 2377.588   37.95086 2376.600  64.50000 2379.000   92.20000 68.09855 0.9243224 68.12377 1.320790  -0.2522278E-01 1.612098  
1 1 1 -12 3  20 o 94.28157 0.6813461 4554.964   65.82531 4728.500  116.4000 4329.100   151.5000 96.04672 1.182693  91.88378 1.609072  4.162941       1.996966  
1 1 1 -12 3  21 o 112.6444 0.8226638 6502.558   94.95775 6310.200  156.7000 6798.400   241.0000 110.9435 1.378379  115.1122 2.043136  -4.168724      2.464616  
1 1 1 -12 3  22 o 76.43282 0.6037639 2993.526   47.28740 3182.900  85.70000 2760.400   105.5000 78.80295 1.061304  73.37592 1.403138  5.427025       1.759308  
1 1 1 -12 3  23 o 88.03851 0.6899884 3971.851   62.24620 3968.900  106.5000 3976.000   149.8000 87.99030 1.181181  88.04601 1.660366  -0.5570221E-01 2.037647  
1 1 1 -12 3  24 o 151.8965 1.057994  11826.94   164.6756 11523.30  274.1000 12283.90   412.5000 149.8674 1.784857  154.6153 2.603593  -4.747894      3.156646  
1 1 1 -12 3  25 o 80.20343 0.6539465 3296.420   53.74443 3446.300  93.50000 3093.800   126.4000 81.99069 1.112881  77.66077 1.588353  4.329926       1.939425  
1 1 1 -12 3  26 f 24.28389 0.4791660 302.1755   11.92347 357.4000  20.50000 225.4000   28.50000 26.39647 0.7586831 20.92187 1.336357  5.474604       1.536701  
1 1 1 -12 3  27 o 58.81315 0.5472316 1772.553   32.97949 1810.900  57.80000 1721.600   76.80000 59.43468 0.9490509 57.93664 1.293628  1.498043       1.604423  
1 1 1 -12 3  28 o 89.11002 0.5768565 4069.382   52.67356 4024.600  105.9000 4113.700   104.8000 88.58462 1.166646  89.56173 1.141933  -0.9771118     1.632505  
1 1 1 -12 3  29 o 46.97528 0.3801918 1130.743   18.30082 1101.300  34.80000 1163.400   38.60000 46.35147 0.7326851 47.63848 0.7907351 -1.287014      1.078002  
1 1 1 -12 3  30 o 37.47813 0.4440023 719.8089   17.05146 632.4000  36.90000 794.9000   31.70000 35.09765 1.027111  39.37555 0.7856593 -4.277897      1.293142  
1 1 1 -12 3  31 o 27.05298 0.5070260 375.0961   14.05542 333.7000  27.10000 419.7000   29.20000 25.48190 1.040046  28.58532 0.9984095 -3.103418      1.441707  
1 1 1 -12 3  32 o 49.19858 0.5858098 1240.771   29.53300 1332.100  66.70000 1168.200   53.00000 50.91303 1.279507  47.70913 1.084117  3.203903       1.677035  
1 1 1 -12 4  1  o 172.0686 1.151936  15174.78   203.1086 14575.50  329.5000 16137.80   529.5000 168.5859 1.907374  177.2786 2.914817  -8.692719      3.483423  
1 1 1 -12 4  2  o 134.4915 0.7818344 9268.860   107.7477 9045.400  207.1000 9511.200   224.6000 132.8312 1.521534  136.2035 1.609248  -3.372375      2.214666  
1 1 1 -12 4  3  o 110.3413 0.6681130 6238.707   75.54166 6495.600  155.4000 5995.700   147.0000 112.5705 1.347188  108.1528 1.326420  4.417641       1.890583  
1 1 1 -12 4  4  o 222.1148 1.252707  25287.00   285.1184 25084.90  564.3000 25493.40   576.3000 221.0948 2.490767  222.8831 2.523324  -1.788315      3.545573  
1 1 1 -12 4  5  o 72.33712 0.5603384 2681.177   41.53460 2967.800  81.50000 2383.300   84.70000 76.09792 1.045169  68.19052 1.212163  7.907402       1.600536  
1 1 1 -12 4  6  o 202.3416 1.146747  20983.80   237.7667 21544.80  484.6000 20443.40   466.8000 204.9243 2.307765  199.6205 2.282061  5.303741       3.245548  
1 1 1 -12 4  7  o 94.01539 0.5908966 4529.026   56.92576 4539.800  110.6000 4517.600   117.3000 94.11555 1.146820  93.88311 1.219304  0.2324448      1.673888  
1 1 1 -12 4  8  o 98.28616 0.6386253 4949.923   64.31865 4986.100  122.6000 4910.000   135.3000 98.63127 1.213047  97.87134 1.349099  0.7599335      1.814263  
1 1 1 -12 4  9  o 94.78700 0.6109670 4603.708   59.34238 4891.500  122.5000 4333.300   115.1000 97.69071 1.223727  91.94792 1.221617  5.742790       1.729120  
1 1 1 -12 4  10 o 39.04358 0.3314677 781.0520   13.26139 779.6000  25.70000 782.6000   27.40000 39.00573 0.6429931 39.08043 0.6842153 -0.7469940E-01 0.9389306 
1 1 1 -12 4  11 f 93.83032 0.5843721 4511.217   56.18638 4217.000  104.3000 4854.800   121.8000 90.70803 1.122122  97.32320 1.221329  -6.615166      1.658554  
1 1 1 -12 4  12 o 73.14792 0.4915960 2741.576   36.84756 2708.200  73.10000 2775.500   74.30000 72.69431 0.9813380 73.59193 0.9852814 -0.8976212     1.390613  
1 1 1 -12 4  13 o 208.4454 1.385000  22273.07   295.8289 22636.30  515.4000 21783.70   694.4000 210.0291 2.394786  205.8929 3.291318  4.136124       4.070353  
1 1 1 -12 4  14 o 51.69036 0.4563790 1369.030   24.17317 1351.300  41.00000 1394.500   58.90000 51.35170 0.7791672 52.16165 1.101959  -0.8099518     1.349599  
1 1 1 -12 4  15 o 104.6058 0.7562293 5607.260   81.06017 5701.000  141.1000 5480.700   190.5000 105.4594 1.305699  103.3792 1.798306  2.080276       2.222331  
1 1 1 -12 4  16 o 46.21987 0.4603353 1094.593   21.80225 1064.000  38.60000 1134.300   50.10000 45.56627 0.8266953 47.04480 1.039268  -1.478527      1.327970  
1 1 1 -12 4  17 o 124.7015 0.9213588 7969.339   117.7332 8058.900  200.8000 7842.400   284.6000 125.3703 1.563042  123.6266 2.246595  1.743729       2.736839  
1 1 1 -12 4  18 o 148.4289 1.048081  11291.52   159.4087 11058.50  269.8000 11628.00   389.6000 146.8416 1.793058  150.5020 2.526262  -3.660355      3.097912  
1 1 1 -12 4  19 o 13.88637 0.6760660 99.04592   9.591111 135.6000  15.60000 40.70000   24.90000 16.23889 0.9415349 8.829952 2.586448  7.408934       2.752490  
1 1 1 -12 4  20 o 86.71152 0.6614027 3852.880   58.76803 3746.800  96.50000 4018.100   150.3000 85.49842 1.101465  88.51709 1.657042  -3.018669      1.989727  
1 1 1 -12 4  21 o 105.1663 0.7678704 5667.755   82.74899 6081.500  156.1000 5201.000   176.1000 108.9111 1.398726  100.7018 1.706569  8.209267       2.206538  
1 1 1 -12 4  22 o 91.01992 0.6797615 4245.398   63.40031 4288.000  112.6000 4190.500   145.1000 91.45818 1.201483  90.39484 1.566482  1.063339       1.974190  
1 1 1 -12 4  23 o 87.40044 0.6426783 3914.466   57.55798 4167.500  106.9000 3619.300   124.7000 90.16312 1.157045  84.01033 1.448556  6.152786       1.853934  
1 1 1 -12 4  24 o 60.07507 0.4575309 1849.269   28.16522 1954.800  57.40000 1747.600   55.30000 61.75640 0.9070505 58.39136 0.9242260 3.365044       1.294965  
1 1 1 -12 4  25 o 20.99859 0.4521579 225.9415   9.729231 265.8000  20.40000 189.6000   18.60000 22.75529 0.8765208 19.20893 0.9478830 3.546362       1.291035  
1 1 1 -12 4  26 o 50.06772 0.3942161 1284.475   20.22509 1348.200  43.50000 1229.100   37.80000 51.28629 0.8277317 48.97038 0.7532861 2.315910       1.119187  
1 1 1 -12 4  27 o 38.92604 0.3649383 776.4084   14.55654 647.9000  26.30000 935.7000   32.60000 35.55403 0.7218859 42.72657 0.7445969 -7.172535      1.037084  
1 1 1 -12 4  28 o 96.52134 0.6159893 4774.804   60.92491 4812.500  122.0000 4737.200   121.7000 96.85492 1.229249  96.09354 1.235942  0.7613831      1.743159  
1 1 1 -12 4  29 o 103.6387 0.6475328 5505.556   68.76730 5669.300  140.6000 5348.800   134.6000 105.0985 1.305541  102.0871 1.286696  3.011383       1.833037  
1 1 1 -12 4  30 o 20.10576 0.5084004 207.3123   10.46589 220.0000  25.20000 198.3000   17.90000 20.66929 1.194901  19.64352 0.8915980 1.025770       1.490884  
1 1 1 -12 4  31 o 40.84021 0.5687999 854.9560   23.80377 831.2000  45.60000 880.9000   49.80000 40.22791 1.107267  41.40763 1.174870  -1.179722      1.614422  
1 1 1 -12 5  1  o 50.97372 0.4918105 1331.345   25.68872 1378.200  46.90000 1274.600   56.80000 51.85899 0.8825726 49.86856 1.111535  1.990429       1.419311  
1 1 1 -12 5  2  o 20.95013 0.3487272 224.8829   7.486363 213.5000  10.80000 250.6000   24.40000 20.40607 0.5169111 22.08595 1.081428  -1.679886      1.198617  
1 1 1 -12 5  3  o 31.04984 0.2892905 493.9660   9.204325 452.5000  17.20000 541.7000   19.80000 29.71707 0.5648382 32.51428 0.5942822 -2.797207      0.8198863 
1 1 1 -12 5  4  o 155.7883 0.9003620 12437.54   143.7310 12233.90  281.3000 12650.30   293.9000 154.4582 1.777299  157.0610 1.826135  -2.602844      2.548246  
1 1 1 -12 5  5  o 100.3689 0.6156312 5161.924   63.31670 5226.000  128.1000 5099.300   125.2000 100.9741 1.238057  99.74301 1.224964  1.231087       1.741644  
1 1 1 -12 5  6  o 32.98306 0.3097878 557.3931   10.47017 560.1000  21.40000 554.8000   20.50000 33.06169 0.6316701 32.90503 0.6079856 0.1566620      0.8767289 
1 1 1 -12 5  7  f 36.25658 0.3269746 673.5265   12.14784 667.0000  23.20000 680.7000   25.50000 36.07908 0.6275296 36.44736 0.6827719 -0.3682861     0.9273461 
1 1 1 -12 5  8  o 117.4042 0.7011692 7063.080   84.35383 7393.400  177.8000 6764.900   160.5000 120.0919 1.444839  114.8778 1.363455  5.214157       1.986597  
1 1 1 -12 5  9  o 104.7239 0.7364781 5619.857   79.03220 5520.500  132.8000 5765.900   195.2000 103.7795 1.248787  106.0366 1.796494  -2.257103      2.187889  
1 1 1 -12 5  10 o 176.1394 1.167142  15901.84   210.6583 15479.10  354.3000 16521.80   519.6000 173.7192 1.990330  179.3737 2.826910  -5.654526      3.457287  
1 1 1 -12 5  11 o 119.6781 0.8339502 7339.797   102.2712 7404.200  176.7000 7251.300   242.8000 120.1787 1.434863  118.8991 1.992837  1.279678       2.455653  
1 1 1 -12 5  12 o 24.20509 0.3969705 300.1936   9.846079 256.7000  16.60000 363.6000   24.20000 22.37010 0.7251303 26.62176 0.8883600 -4.251661      1.146733  
1 1 1 -12 5  13 o 60.17352 0.4712280 1855.271   29.05593 1805.600  48.90000 1928.000   71.60000 59.35885 0.8039426 61.33195 1.139273  -1.973106      1.394370  
1 1 1 -12 5  14 o 136.6457 0.9197299 9569.066   128.7819 9839.500  226.1000 9211.200   299.2000 138.5284 1.592808  133.9887 2.179190  4.539749       2.699242  
1 1 1 -12 5  15 o 196.6389 1.308491  19821.38   263.6565 20351.10  463.1000 19121.10   612.2000 199.1449 2.269380  192.9027 3.097110  6.242188       3.839554  
1 1 1 -12 5  16 o 128.9396 0.8783327 8520.111   116.0496 8817.400  203.7000 8126.500   269.7000 131.1387 1.515870  125.8554 2.091273  5.283249       2.582883  
1 1 1 -12 5  17 o 138.9871 0.9498088 9900.171   135.2724 10171.50  239.7000 9548.700   310.5000 140.8370 1.660936  136.4097 2.221355  4.427292       2.773649  
1 1 1 -12 5  18 o 180.6715 1.244646  16732.92   230.4272 17266.90  408.8000 16043.10   528.1000 183.4347 2.174859  176.7039 2.916565  6.730789       3.638181  
1 1 1 -12 5  19 o 65.55734 0.5428533 2202.194   36.46718 2257.600  63.70000 2128.000   85.30000 66.37021 0.9366296 64.42818 1.292037  1.942032       1.595818  
1 1 1 -12 5  20 o 132.0725 0.8089550 8939.197   109.4801 9157.900  225.6000 8733.000   212.7000 133.6274 1.647575  130.4951 1.590651  3.132339       2.290125  
1 1 1 -12 5  21 o 108.2217 0.6567509 6001.682   72.83056 5944.600  141.3000 6062.400   150.3000 107.6796 1.280590  108.7374 1.348906  -1.057739      1.859962  
1 1 1 -12 5  22 o 101.3855 0.6398804 5267.446   66.47727 5395.700  137.5000 5147.400   128.7000 102.5825 1.308071  100.1975 1.253497  2.384987       1.811713  
1 1 1 -12 5  23 o 148.1921 0.8936555 11256.10   135.7043 11268.20  268.1000 11243.70   274.8000 148.1879 1.765573  148.0208 1.811739  0.1671295      2.529752  
1 1 1 -12 5  24 o 68.55869 0.4956530 2408.530   34.82079 2535.600  72.50000 2291.100   67.00000 70.32914 1.006015  66.85342 0.9780315 3.475723       1.403072  
1 1 1 -12 5  25 o 31.76116 0.3886286 516.8948   12.64822 487.3000  25.00000 547.2000   25.60000 30.82373 0.7921665 32.67451 0.7645968 -1.850777      1.100971  
1 1 1 -12 5  26 o 67.75973 0.4804877 2352.796   33.36202 2188.700  62.70000 2539.400   71.30000 65.33879 0.9364791 70.37650 0.9886976 -5.037712      1.361806  
1 1 1 -12 5  27 o 63.71843 0.4505177 2080.530   29.41544 1984.500  56.30000 2185.600   61.60000 62.21521 0.8831072 65.28957 0.9207433 -3.074356      1.275792  
1 1 1 -12 5  28 o 73.87465 0.5339839 2796.968   40.42239 2879.400  80.20000 2713.200   81.50000 74.92409 1.044611  72.72569 1.093633  2.198402       1.512364  
1 1 1 -12 5  29 o 17.81079 0.5287271 162.7290   9.639000 175.7000  23.80000 153.9000   16.20000 18.45715 1.266054  17.29835 0.9172063 1.158804       1.563381  
1 1 1 -12 5  30 o 9.941807 0.8397260 51.05114   8.474712 29.40000  20.20000 66.70000   14.60000 7.570060 2.354621  11.32516 1.280521  -3.755102      2.680294  
1 1 1 -12 5  31 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -12 6  1  o 49.58903 1.244734  0.000000   0.000000 ?         ?        1261.300   63.20000 ?        ?         49.58903 1.244734  0.000000       1.244734  
1 1 1 -12 6  2  o 73.06339 0.7133483 2735.487   53.40720 2810.100  104.9000 2658.100   108.8000 74.03747 1.382692  72.00443 1.474590  2.033043       2.021449  
1 1 1 -12 6  3  o 205.4416 1.351739  21636.28   284.5638 23142.20  746.4000 20708.40   459.9000 212.1549 3.433367  200.8930 2.234087  11.26187       4.096237  
1 1 1 -12 6  4  o 71.85602 0.4512745 2645.581   33.22785 2831.500  69.70000 2476.200   63.50000 74.33097 0.9150917 69.51158 0.8914936 4.819389       1.277558  
1 1 1 -12 6  5  o 118.1868 0.6929410 7157.623   83.91967 7496.200  174.0000 6842.200   162.1000 120.9230 1.404242  115.5294 1.369280  5.393608       1.961332  
1 1 1 -12 6  6  o 78.24729 0.5576116 3137.236   44.70947 3168.700  76.80000 3093.400   107.0000 78.63168 0.9531589 77.68138 1.344214  0.9503021      1.647854  
1 1 1 -12 6  7  o 142.7178 0.9543667 10438.61   139.5699 11036.60  253.4000 9705.400   310.7000 146.7065 1.685617  137.5333 2.204627  9.173233       2.775191  
1 1 1 -12 6  8  o 61.32703 0.4599584 1927.080   28.90473 2043.900  53.70000 1790.900   62.60000 63.15401 0.8298030 59.11288 1.033460  4.041130       1.325373  
1 1 1 -12 6  9  o 204.9770 1.350050  21538.55   283.5656 21699.40  491.7000 21319.40   669.9000 205.6292 2.333549  203.6725 3.209809  1.956711       3.968416  
1 1 1 -12 6  10 o 79.43700 0.5730565 3233.384   46.64645 3152.500  79.00000 3350.000   113.9000 78.42957 0.9829895 80.83769 1.375028  -2.408119      1.690257  
1 1 1 -12 6  11 o 28.55316 0.3633875 417.7288   10.63218 423.3000  18.50000 410.2000   25.00000 28.74178 0.6281448 28.27884 0.8637530 0.4629402      1.068005  
1 1 1 -12 6  12 o 319.9827 2.064814  52528.90   677.0265 52339.70  1155.900 52796.40   1634.200 318.9968 3.536190  319.7718 4.987313  -0.7749939     6.113750  
1 1 1 -12 6  13 o 163.0097 1.104081  13619.55   184.4220 13774.50  322.3000 13412.30   431.1000 163.8704 1.919382  161.6226 2.603020  2.247818       3.234152  
1 1 1 -12 6  14 o 125.1721 0.8574651 8029.465   109.9822 7997.700  189.5000 8073.400   262.1000 124.8948 1.480698  125.4447 2.038996  -0.5498505     2.519915  
1 1 1 -12 6  15 o 58.41068 0.4752455 1748.177   28.44518 1941.700  54.50000 1536.900   59.50000 61.55357 0.8640620 54.75929 1.060378  6.794277       1.367847  
1 1 1 -12 6  16 o 2.007882 0.9990025 -20.50805  8.074922 14.50000  16.20000 -55.30000  16.10000 5.845420 2.110569  2.526177 1.277266  3.319244       2.466964  
1 1 1 -12 6  17 o 87.35970 0.5571841 3910.555   49.87790 3892.200  97.70000 3929.700   101.9000 87.14074 1.094145  87.55808 1.135742  -0.4173431     1.577042  
1 1 1 -12 6  18 o 34.90174 0.3688978 624.1439   13.19324 577.9000  24.00000 680.6000   29.30000 33.58170 0.6974453 36.44281 0.7846165 -2.861103      1.049787  
1 1 1 -12 6  19 o 66.92537 1.128631  0.000000   0.000000 ?         ?        2296.000   77.40000 ?        ?         66.92537 1.128631  0.000000       1.128631  
1 1 1 -12 6  20 o 39.42689 0.4125818 796.4999   16.66867 846.2000  34.00000 748.7000   32.70000 40.63394 0.8165666 38.22112 0.8349221 2.412815       1.167851  
1 1 1 -12 6  21 o 90.75317 0.5670027 4220.451   52.72848 4537.300  112.3000 3940.000   99.40000 94.07480 1.164952  87.66707 1.106500  6.407730       1.606691  
1 1 1 -12 6  22 o 84.27514 0.5548532 3639.459   47.91549 3786.400  97.20000 3496.600   94.50000 85.93925 1.103764  82.58442 1.116697  3.354836       1.570130  
1 1 1 -12 6  23 o 67.09743 0.4458467 2306.913   30.65419 2399.400  64.40000 2222.900   58.50000 68.41616 0.9186050 65.85355 0.8669186 2.562614       1.263085  
1 1 1 -12 6  24 o 97.74447 0.6236950 4896.268   62.46875 5025.700  126.2000 4769.400   123.7000 98.98979 1.244144  96.43201 1.251844  2.557777       1.764938  
1 1 1 -12 6  25 o 79.28748 0.5260978 3221.585   42.74344 3050.800  81.00000 3412.400   90.50000 77.13441 1.024798  81.57385 1.082678  -4.439438      1.490773  
1 1 1 -12 6  26 o 28.90757 0.3772554 428.2005   11.17494 406.1000  22.30000 450.4000   22.40000 28.13527 0.7742273 29.64208 0.7374642 -1.506811      1.069243  
1 1 1 -12 6  27 o 42.01452 0.4345638 904.5982   18.70903 1001.800  47.90000 842.3000   30.70000 44.19207 1.057774  40.53417 0.7391264 3.657906       1.290424  
1 1 1 -12 6  28 o 72.28167 0.5925002 2678.040   43.88490 2901.300  118.2000 2546.200   69.80000 75.13928 1.535154  70.45406 0.9668321 4.685226       1.814239  
1 1 1 -12 6  29 o 38.25256 0.4231386 749.8966   16.58599 855.3000  45.20000 688.8000   26.20000 40.80915 1.081847  36.65306 0.6975779 4.156094       1.287248  
1 1 1 -12 6  30 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -12 7  1  f 87.72357 1.762140  0.000000   0.000000 ?         ?        3946.900   158.4000 ?        ?         87.72357 1.762140  0.000000       1.762140  
1 1 1 -12 7  2  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -12 7  3  o 47.11983 1.076964  1138.000   52.00000 1138.000  52.00000 ?          ?        47.11983 1.076964  ?        ?         0.000000       1.076964  
1 1 1 -12 7  4  o 67.87859 0.5739614 2360.919   39.92215 2343.400  85.10000 2376.400   75.20000 67.61317 1.228287  68.09145 1.077772  -0.4782867     1.634100  
1 1 1 -12 7  5  o 93.96770 0.6325569 4524.624   60.90832 4802.300  112.8000 4198.700   132.4000 96.79401 1.137267  90.49577 1.427780  6.298241       1.825358  
1 1 1 -12 7  6  o 98.10754 0.6775419 4932.174   68.11408 4771.400  116.5000 5158.500   164.0000 96.48064 1.178385  100.2990 1.595690  -3.818405      1.983638  
1 1 1 -12 7  7  o 129.0364 0.8642773 8532.947   114.2783 8570.300  199.4000 8482.800   267.7000 129.2863 1.505131  128.5854 2.031694  0.7009125      2.528478  
1 1 1 -12 7  8  o 126.4332 0.8636271 8192.146   111.8886 8346.200  194.9000 7984.500   262.7000 127.5854 1.490776  124.7491 2.055059  2.836327       2.538834  
1 1 1 -12 7  9  o 116.6073 0.7899058 6968.021   94.38421 7025.000  164.3000 6891.100   221.8000 117.0588 1.369731  115.9069 1.867472  1.151917       2.315948  
1 1 1 -12 7  10 o 90.71847 0.6439188 4217.160   59.85841 3986.900  97.40000 4584.300   155.3000 88.19605 1.077734  94.55093 1.602903  -6.354881      1.931530  
1 1 1 -12 7  11 o 49.98091 0.4210932 1279.979   21.56656 1303.000  36.90000 1247.600   51.90000 50.42553 0.7141305 49.33735 1.026581  1.088177       1.250540  
1 1 1 -12 7  12 o 165.4380 1.097191  14028.79   186.0012 13705.60  313.9000 14498.80   456.5000 163.4559 1.874098  168.0170 2.651485  -4.561111      3.246940  
1 1 1 -12 7  13 o 26.10433 0.3715133 349.1523   9.937688 354.7000  19.20000 343.2000   20.60000 26.29952 0.7131091 25.86704 0.7780654 0.4324837      1.055420  
1 1 1 -12 7  14 o 99.37014 0.6070174 5059.857   61.80952 5401.800  129.8000 4749.000   118.0000 102.6514 1.233989  96.25074 1.196409  6.400703       1.718756  
1 1 1 -12 7  15 o 124.2905 0.7308912 7916.461   93.08700 7898.400  188.4000 7934.100   184.0000 124.1100 1.481411  124.3928 1.443525  -0.2827454     2.068416  
1 1 1 -12 7  16 o 133.0461 0.7938366 9071.545   108.2260 9177.400  223.2000 8971.900   210.1000 133.7664 1.628354  132.2668 1.550161  1.499603       2.248230  
1 1 1 -12 7  17 o 58.27202 0.4269693 1739.891   25.49501 1698.800  49.30000 1783.900   52.80000 57.57351 0.8356528 58.99714 0.8733827 -1.423622      1.208765  
1 1 1 -12 7  18 o 56.32408 0.4078931 1625.510   23.54175 1458.200  44.10000 1817.100   50.50000 53.34084 0.8068268 59.54391 0.8276671 -6.203068      1.155856  
1 1 1 -12 7  19 o 146.5100 0.8591993 11001.73   128.9911 11393.80  265.7000 10631.80   250.7000 149.0137 1.740071  143.9495 1.699596  5.064194       2.432380  
1 1 1 -12 7  20 o 76.58487 0.4904842 3005.450   38.49163 2947.400  74.10000 3068.200   80.10000 75.82827 0.9536493 77.36431 1.010400  -1.536041      1.389373  
1 1 1 -12 7  21 o 17.68656 0.4762352 160.4087   8.623188 178.0000  17.00000 142.3000   17.50000 18.61333 0.8939184 16.62833 1.032137  1.984995       1.365429  
1 1 1 -12 7  22 o 81.27306 0.5162253 3384.838   42.99167 3601.400  92.40000 3196.400   80.40000 83.80811 1.075939  78.95966 0.9936935 4.848450       1.464606  
1 1 1 -12 7  23 o 33.73989 0.3692982 583.3101   12.76789 653.7000  28.70000 526.9000   23.00000 35.71133 0.7842914 32.06277 0.7000490 3.648563       1.051276  
1 1 1 -12 7  24 o 91.53313 0.7001535 4294.431   65.67044 4309.800  160.6000 4283.800   111.1000 91.60210 1.710968  91.38419 1.186437  0.2179031      2.082076  
1 1 1 -12 7  25 o 46.78947 0.4349291 1121.883   20.85283 1247.000  54.70000 1044.800   33.70000 49.30516 1.082671  45.14568 0.7284762 4.159489       1.304935  
1 1 1 -12 7  26 o 53.43768 0.4711592 1463.445   25.79963 1557.200  67.40000 1405.300   41.80000 55.08405 1.194086  52.35354 0.7791693 2.730507       1.425814  
1 1 1 -12 7  27 o 55.78563 1.205309  1597.600   68.90000 1597.600  68.90000 ?          ?        55.78563 1.205309  ?        ?         0.000000       1.205309  
1 1 1 -12 7  28 o 28.34361 0.4136772 411.7108   12.01476 465.5000  31.30000 378.2000   19.50000 30.10144 1.016206  27.14993 0.7015060 2.951508       1.234822  
1 1 1 -12 8  1  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -12 8  2  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -12 8  3  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -12 8  4  o 72.99945 1.437112  2732.400   107.5000 2732.400  107.5000 ?          ?        72.99945 1.437112  ?        ?         0.000000       1.437112  
1 1 1 -12 8  5  o 134.4815 1.089785  9270.136   150.1764 10062.90  345.4000 8660.300   265.7000 139.9932 2.407781  129.9149 1.995879  10.07834       3.127450  
1 1 1 -12 8  6  o 63.40539 1.032756  0.000000   0.000000 ?         ?        2060.600   67.10000 ?        ?         63.40539 1.032756  0.000000       1.032756  
1 1 1 -12 8  7  o 105.7108 0.7098789 5726.497   76.89569 6010.000  139.2000 5376.600   171.8000 108.2742 1.254630  102.3886 1.637469  5.885597       2.062862  
1 1 1 -12 8  8  o 133.5935 0.8820230 9146.732   120.7434 9586.100  217.9000 8600.700   270.8000 136.7223 1.555319  129.4621 2.041304  7.260193       2.566309  
1 1 1 -12 8  9  o 159.3773 0.9384146 13018.65   153.2567 12165.10  287.9000 13990.20   327.7000 153.9926 1.824498  165.1275 1.936683  -11.13487      2.660739  
1 1 1 -12 8  10 o 73.56156 0.4878514 2772.747   36.77366 2721.100  70.90000 2828.400   76.40000 72.86391 0.9495884 74.28510 1.003675  -1.421196      1.381695  
1 1 1 -12 8  11 o 75.90322 0.4825136 2952.086   37.52910 2660.000  69.20000 3298.200   82.00000 72.04116 0.9374045 80.21735 0.9975787 -8.176186      1.368901  
1 1 1 -12 8  12 o 53.88634 0.3729621 1487.820   20.59405 1442.700  40.50000 1534.500   41.90000 53.05844 0.7449071 54.72044 0.7472503 -1.662003      1.055116  
1 1 1 -12 8  13 o 9.418500 0.7661214 45.76170   7.330170 18.70000  13.60000 77.40000   15.90000 6.098015 1.936978  12.21897 1.289300  -6.120951      2.326838  
1 1 1 -12 8  14 o 87.94794 0.5514783 3963.500   49.69955 3930.200  99.70000 3996.600   99.10000 87.55946 1.111204  88.29670 1.095294  -0.7372437     1.560270  
1 1 1 -12 8  15 o 151.9876 0.8882073 11839.88   138.3315 12034.10  279.9000 11650.10   273.5000 153.1425 1.783647  150.6809 1.771335  2.461594       2.513767  
1 1 1 -12 8  16 o 100.0872 0.6054242 5133.398   62.09211 5245.700  125.6000 5023.600   122.8000 101.1480 1.211808  98.98366 1.210700  2.164368       1.712972  
1 1 1 -12 8  17 o 47.48944 0.3788599 1155.568   18.43632 1051.300  32.80000 1289.400   42.10000 45.29202 0.7067304 50.15711 0.8191270 -4.865089      1.081867  
1 1 1 -12 8  18 o 36.14896 0.6965071 0.000000   0.000000 ?         ?        669.7000   25.80000 ?        ?         36.14896 0.6965071 0.000000       0.6965071 
1 1 1 -12 8  19 o 113.2574 0.6734365 6573.945   78.15589 6735.200  161.1000 6422.000   151.8000 114.5864 1.372031  111.8950 1.323923  2.691383       1.906631  
1 1 1 -12 8  20 o 93.82154 0.6793588 4511.406   65.31308 4482.500  156.1000 4532.200   112.3000 93.44968 1.630147  94.00841 1.165775  -0.5587234     2.004098  
1 1 1 -12 8  21 o 44.01029 0.4025285 992.5009   18.15304 951.0000  42.30000 1023.700   31.80000 43.06781 0.9584936 44.69117 0.6943957 -1.623363      1.183594  
1 1 1 -12 8  22 o 107.7810 0.7506340 5954.764   82.90269 6057.400  199.2000 5881.600   142.0000 108.5816 1.790336  107.0652 1.294320  1.516418       2.209200  
1 1 1 -12 8  23 o 79.83241 0.6066106 3266.542   49.62353 3350.000  122.1000 3209.400   83.60000 80.77213 1.475217  79.10329 1.031367  1.668831       1.799995  
1 1 1 -12 8  24 o 47.60814 0.5462137 1161.667   26.64662 1123.600  52.70000 1200.600   53.90000 46.79686 1.098994  48.37450 1.087361  -1.577633      1.546009  
1 1 1 -12 8  25 o 56.43969 0.5084181 1632.628   29.40384 1531.900  73.30000 1700.100   49.10000 54.61798 1.309695  57.57751 0.8322048 -2.959530      1.551730  
1 1 1 -12 8  26 o 19.69521 0.4637437 198.8058   9.359162 235.9000  21.80000 170.9000   16.40000 21.41862 0.9959953 18.23189 0.8804393 3.186731       1.329353  
1 1 1 -12 8  27 o 23.14169 0.4506348 274.4751   10.68607 348.7000  25.30000 220.2000   18.50000 26.05161 0.9493240 20.69986 0.8741475 5.351748       1.290484  
1 1 1 -12 9  1  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -12 9  2  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -12 9  3  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -12 9  4  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -12 9  5  o 103.3634 0.8990818 5476.079   95.22793 5410.000  187.6000 5544.200   193.4000 102.6797 1.782993  103.9425 1.815786  -1.262802      2.544827  
1 1 1 -12 9  6  o 97.80198 0.8662380 4902.517   86.81270 5027.300  177.3000 4782.800   170.1000 98.98447 1.748008  96.54973 1.719313  2.434746       2.451850  
1 1 1 -12 9  7  o 142.5854 0.9602451 10421.03   140.2994 10525.10  236.6000 10269.40   344.7000 143.2383 1.611971  141.3842 2.379261  1.854065       2.873906  
1 1 1 -12 9  8  o 27.68898 0.3710569 392.8360   10.52800 428.9000  16.80000 332.3000   28.20000 28.93077 0.5666969 25.43688 1.084387  3.493893       1.223536  
1 1 1 -12 9  9  o 40.64562 0.4085512 846.5093   17.01604 904.0000  27.40000 752.3000   44.90000 42.00071 0.6366425 38.28925 1.145671  3.711460       1.310678  
1 1 1 -12 9  10 o 75.42039 0.6033360 2914.917   46.62795 2784.200  72.80000 3147.800   129.7000 73.69934 0.9639831 78.33064 1.615883  -4.631294      1.881580  
1 1 1 -12 9  11 o 73.68028 0.4659504 2781.760   35.17947 2861.900  72.10000 2705.400   68.70000 74.72112 0.9416587 72.65004 0.9228317 2.071083       1.318461  
1 1 1 -12 9  12 o 74.14412 0.4636939 2816.901   35.22950 2788.600  68.80000 2846.600   72.20000 73.75867 0.9102842 74.52048 0.9455035 -0.7618103     1.312476  
1 1 1 -12 9  13 o 60.49369 0.4112666 1875.119   25.49364 2012.900  53.50000 1749.700   48.70000 62.66773 0.8331274 58.42767 0.8134147 4.240063       1.164364  
1 1 1 -12 9  14 o 50.62985 0.3726920 1313.459   19.33548 1255.500  37.00000 1376.900   40.50000 49.49457 0.7295344 51.83156 0.7625396 -2.336987      1.055314  
1 1 1 -12 9  15 o 65.13194 0.4371299 2173.740   29.17447 2229.500  58.10000 2117.500   58.60000 65.95087 0.8597204 64.27194 0.8897701 1.678925       1.237259  
1 1 1 -12 9  16 o 55.83286 0.4451682 1597.369   25.46903 1575.300  60.10000 1613.600   44.20000 55.42888 1.058132  56.10849 0.7687681 -0.6796074     1.307918  
1 1 1 -12 9  17 o 56.30333 0.4786060 1624.454   27.61281 1547.500  63.60000 1683.500   48.80000 54.93307 1.129861  57.30804 0.8310092 -2.374973      1.402555  
1 1 1 -12 9  18 o 2.543812 1.197352  -8.884402  8.033638 -11.60000 18.50000 -6.800000  14.20000 4.259949 1.937271  3.858573 1.731185  0.4013760      2.598080  
1 1 1 -12 9  19 o 23.54301 0.3996262 284.0217   9.640827 266.7000  20.50000 299.4000   18.20000 22.79090 0.8794471 24.15683 0.7361055 -1.365931      1.146856  
1 1 1 -12 9  20 o 37.82516 0.3820311 733.1459   14.80737 682.3000  32.50000 775.7000   27.20000 36.47933 0.8694370 38.90149 0.6823454 -2.422157      1.105222  
1 1 1 -12 9  21 o 53.69661 0.4570904 1477.615   25.15054 1475.000  56.70000 1479.700   45.20000 53.62397 1.031872  53.72081 0.8211028 -0.9683990E-01 1.318700  
1 1 1 -12 9  22 o ?        ?         -37.57294  8.655272 -40.70000 19.60000 -35.10000  15.50000 3.345971 1.644550  2.892189 1.429265  0.4537821      2.178840  
1 1 1 -12 9  23 o 89.74346 0.6485909 4128.834   59.64472 4490.900  159.7000 3913.000   95.20000 93.44283 1.667864  87.32327 1.063919  6.119568       1.978306  
1 1 1 -12 9  24 o 60.63700 0.5054880 1884.579   31.40848 1779.400  71.20000 1967.600   56.20000 58.86916 1.180304  61.93304 0.8855550 -3.063889      1.475576  
1 1 1 -12 9  25 o 49.17202 0.4316841 1239.197   21.75117 1363.600  53.40000 1153.700   36.70000 51.54502 1.011012  47.43013 0.7551154 4.114895       1.261881  
1 1 1 -12 10 1  o 138.2658 1.642416  0.000000   0.000000 ?         ?        9813.400   232.7000 ?        ?         138.2658 1.642416  0.000000       1.642416  
1 1 1 -12 10 2  o 141.8725 1.694213  0.000000   0.000000 ?         ?        10332.70   246.3000 ?        ?         141.8725 1.694213  0.000000       1.694213  
1 1 1 -12 10 3  o 72.50983 1.401056  0.000000   0.000000 ?         ?        2697.300   104.1000 ?        ?         72.50983 1.401056  0.000000       1.401056  
1 1 1 -12 10 4  o 61.60978 1.295703  0.000000   0.000000 ?         ?        1946.900   81.80000 ?        ?         61.60978 1.295703  0.000000       1.295703  
1 1 1 -12 10 5  o 88.79310 1.579353  0.000000   0.000000 ?         ?        4046.000   143.7000 ?        ?         88.79310 1.579353  0.000000       1.579353  
1 1 1 -12 10 6  o 31.77118 0.5674568 517.2793   18.47416 565.0000  37.20000 470.2000   36.70000 33.17694 1.095732  30.25718 1.185991  2.919758       1.614684  
1 1 1 -12 10 7  o 102.8473 0.9183287 5422.390   96.78082 5609.700  202.0000 5250.100   185.8000 104.5169 1.886107  101.1227 1.793076  3.394241       2.602407  
1 1 1 -12 10 8  o 119.6517 0.8338794 7338.446   102.2399 7543.300  174.8000 7049.800   246.3000 121.2593 1.406785  117.1403 2.051917  4.119080       2.487852  
1 1 1 -12 10 9  o 48.47191 0.4186794 1203.925   20.79554 1218.400  34.10000 1181.300   53.30000 48.75769 0.6825160 47.99827 1.083686  0.7594261      1.280704  
1 1 1 -12 10 10 o 37.60787 0.3910014 724.7218   15.06799 777.2000  25.10000 645.9000   37.70000 38.94246 0.6290020 35.47748 1.038144  3.464973       1.213831  
1 1 1 -12 10 11 o 48.62410 0.4300625 1211.514   21.42800 1199.800  35.70000 1229.100   53.60000 48.38278 0.7200772 48.95922 1.068395  -0.5764389     1.288402  
1 1 1 -12 10 12 o 22.93439 0.4534715 269.5307   10.65701 276.7000  17.40000 258.2000   27.50000 23.22307 0.7321061 22.40485 1.202225  0.8182259      1.407595  
1 1 1 -12 10 13 o 61.21479 0.5570855 1920.368   34.94432 1798.200  64.40000 2065.300   76.40000 59.21713 1.061305  63.45673 1.174944  -4.239597      1.583307  
1 1 1 -12 10 14 o 55.67542 0.5262895 1588.521   30.02525 1581.300  57.20000 1596.500   63.20000 55.53220 1.005201  55.79367 1.105437  -0.2614708     1.494128  
1 1 1 -12 10 15 o 59.72147 0.5841704 1827.923   35.74937 1987.600  71.20000 1666.900   71.80000 62.25092 1.116184  57.00149 1.229249  5.249435       1.660398  
1 1 1 -12 10 16 o 60.98806 0.5482515 1906.250   34.26281 1795.600  62.80000 2039.100   75.40000 59.17021 1.035758  63.04621 1.167116  -3.875999      1.560434  
1 1 1 -12 10 17 o 94.29852 0.8597029 4559.396   83.07143 4559.300  159.3000 4559.500   173.6000 94.20177 1.650283  94.17917 1.798856  0.2260590E-01  2.441171  
1 1 1 -12 10 18 f 46.47768 0.5277608 1107.122   25.13506 1036.000  44.30000 1200.400   58.10000 44.94339 0.9619213 48.36570 1.172304  -3.422314      1.516440  
1 1 1 -12 10 19 o 59.83589 0.4802793 1834.923   29.44787 1918.800  52.00000 1725.400   67.90000 61.17058 0.8295878 57.98344 1.142793  3.187141       1.412158  
1 1 1 -12 10 20 o 44.72966 0.4942746 1025.432   22.65491 1034.700  46.70000 1016.700   44.00000 44.90685 1.014859  44.51761 0.9645450 0.3892403      1.400102  
1 1 1 -12 10 21 o 70.07623 0.6458730 2517.602   46.37845 2709.500  94.80000 2333.800   90.80000 72.63097 1.273761  67.40220 1.314660  5.228775       1.830519  
1 1 1 -12 10 22 o 4.417094 1.616297  8.041389   9.544473 21.30000  16.80000 -9.400000  22.10000 6.566693 2.158585  4.858614 2.171266  1.708079       3.061680  
1 1 1 -12 10 23 o 13.29199 0.8124709 90.96372   11.01327 110.3000  19.00000 64.30000   26.20000 14.59541 1.283453  10.93781 2.403369  3.657599       2.724598  
1 1 1 -12 11 1  o 61.16644 0.9556862 0.000000   0.000000 ?         ?        1918.700   59.90000 ?        ?         61.16644 0.9556862 0.000000       0.9556862 
1 1 1 -12 11 2  o 28.20229 0.7307449 0.000000   0.000000 ?         ?        408.0000   21.10000 ?        ?         28.20229 0.7307449 0.000000       0.7307449 
1 1 1 -12 11 3  f 98.62098 1.254734  0.000000   0.000000 ?         ?        4990.800   126.8000 ?        ?         98.62098 1.254734  0.000000       1.254734  
1 1 1 -12 11 4  o 89.33307 1.168889  0.000000   0.000000 ?         ?        4094.100   107.0000 ?        ?         89.33307 1.168889  0.000000       1.168889  
1 1 1 -12 11 5  o 66.19532 1.241328  0.000000   0.000000 ?         ?        2248.300   84.20000 ?        ?         66.19532 1.241328  0.000000       1.241328  
1 1 1 -12 11 6  o 4.990293 2.279863  0.000000   0.000000 ?         ?        -17.60000  26.00000 ?        ?         4.990293 2.279863  0.000000       2.279863  
1 1 1 -12 11 7  o 79.08424 0.7329498 3206.039   59.39673 3343.100  127.5000 3086.500   111.2000 80.68687 1.542087  77.54385 1.399455  3.143028       2.082428  
1 1 1 -12 11 8  o 36.22127 0.4940386 672.3525   18.33677 586.3000  34.30000 771.2000   39.40000 33.79758 0.9914707 38.76618 0.9926642 -4.968601      1.402995  
1 1 1 -12 11 9  o 78.70686 1.449451  0.000000   0.000000 ?         ?        3180.400   116.9000 ?        ?         78.70686 1.449451  0.000000       1.449451  
1 1 1 -12 11 10 o 63.89300 0.5872464 2092.309   38.44785 1936.100  69.60000 2285.100   85.90000 61.43454 1.105601  66.73038 1.256236  -5.295845      1.673464  
1 1 1 -12 11 11 o 110.1229 0.8977330 6218.566   101.3032 6069.800  194.6000 6380.100   211.3000 108.6700 1.747572  111.3914 1.851184  -2.721413      2.545759  
1 1 1 -12 11 12 o 32.47788 0.4520795 540.5577   15.04530 455.8000  23.70000 687.9000   41.20000 29.80650 0.7766210 36.60099 1.099763  -6.794489      1.346335  
1 1 1 -12 11 13 o 37.56722 0.4677705 723.2663   18.00695 696.7000  30.20000 762.5000   44.60000 36.86171 0.7995269 38.53216 1.130793  -1.670448      1.384896  
1 1 1 -12 11 14 o 47.74850 0.4884700 1168.469   23.89989 1185.400  44.90000 1149.200   51.10000 48.07543 0.9114332 47.32741 1.053682  0.7480164      1.393182  
1 1 1 -12 11 15 o 85.95837 0.6395713 3787.742   56.33464 3823.700  98.50000 3739.700   131.6000 86.31786 1.113621  85.30649 1.505482  1.011368       1.872599  
1 1 1 -12 11 16 o 60.99302 0.5560266 1906.864   34.75154 2047.300  73.90000 1782.200   65.60000 63.15448 1.141936  58.92910 1.086365  4.225380       1.576137  
1 1 1 -12 11 17 o 20.13374 0.5622135 207.9532   11.58774 231.0000  20.30000 177.3000   27.00000 21.19863 0.9368364 18.51835 1.434029  2.680281       1.712922  
1 1 1 -12 11 18 o 57.52197 0.5670198 1696.153   33.42184 1825.700  67.50000 1569.100   66.20000 59.63433 1.104610  55.27836 1.168704  4.355968       1.608115  
1 1 1 -12 11 19 o 19.79886 0.5082878 201.0626   10.30360 192.9000  18.60000 211.2000   23.10000 19.36587 0.9401066 20.25032 1.117555  -0.8844547     1.460387  
1 1 1 -12 11 20 o 69.11974 0.6328539 2449.583   44.82331 2550.700  90.20000 2349.700   89.10000 70.45684 1.249352  67.61806 1.285928  2.838776       1.792900  
1 1 1 -12 12 1  o 18.50570 1.300275  0.000000   0.000000 ?         ?        176.8000   24.50000 ?        ?         18.50570 1.300275  0.000000       1.300275  
1 1 1 -12 12 2  o 76.28238 1.455860  0.000000   0.000000 ?         ?        2991.300   113.8000 ?        ?         76.28238 1.455860  0.000000       1.455860  
1 1 1 -12 12 3  o 48.93214 1.043060  0.000000   0.000000 ?         ?        1228.800   52.30000 ?        ?         48.93214 1.043060  0.000000       1.043060  
1 1 1 -12 12 4  o 82.19758 1.598040  0.000000   0.000000 ?         ?        3475.000   134.6000 ?        ?         82.19758 1.598040  0.000000       1.598040  
1 1 1 -12 12 5  o 24.50852 1.222302  0.000000   0.000000 ?         ?        309.2000   30.60000 ?        ?         24.50852 1.222302  0.000000       1.222302  
1 1 1 -12 12 6  o 31.98557 1.087752  0.000000   0.000000 ?         ?        525.7000   35.60000 ?        ?         31.98557 1.087752  0.000000       1.087752  
1 1 1 -12 12 7  o 54.32986 1.128035  0.000000   0.000000 ?         ?        1515.200   62.80000 ?        ?         54.32986 1.128035  0.000000       1.128035  
1 1 1 -12 12 8  o 80.02197 1.492704  0.000000   0.000000 ?         ?        3291.900   122.4000 ?        ?         80.02197 1.492704  0.000000       1.492704  
1 1 1 -12 12 9  o 60.51612 1.228812  0.000000   0.000000 ?         ?        1880.700   76.20000 ?        ?         60.51612 1.228812  0.000000       1.228812  
1 1 1 -12 12 10 o 118.6071 2.026541  0.000000   0.000000 ?         ?        7254.300   246.3000 ?        ?         118.6071 2.026541  0.000000       2.026541  
1 1 1 -12 12 11 o 71.15556 1.279601  0.000000   0.000000 ?         ?        2601.000   93.30000 ?        ?         71.15556 1.279601  0.000000       1.279601  
1 1 1 -12 12 12 o 45.20584 0.4789863 1047.430   22.18789 1030.800  39.70000 1068.500   50.30000 44.82605 0.8642945 45.62268 1.075942  -0.7966347     1.380093  
1 1 1 -12 12 13 o 38.13332 0.4184184 745.2632   16.34985 711.1000  28.10000 792.8000   39.10000 37.23718 0.7364295 39.30452 0.9708136 -2.067345      1.218527  
1 1 1 -12 12 14 o 14.75913 0.5956004 111.8599   8.989202 124.8000  14.10000 89.10000   24.80000 15.57086 0.8873807 13.00750 1.918126  2.563361       2.113446  
1 1 1 -12 12 15 o 42.63834 0.4735569 931.8632   20.69049 980.5000  38.90000 876.6000   44.20000 43.71514 0.8683991 41.30789 1.045056  2.407246       1.358772  
1 1 1 -12 12 16 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -11 0  1  o 56.97127 0.8328968 1664.100   48.60000 1664.100  48.60000 1664.100   48.60000 56.97127 0.8328968 56.97127 0.8328968 0.000000       0.000000  
1 1 1 -11 0  2  o 11.45866 1.237311  69.60000   14.10000 69.60000  14.10000 69.60000   14.10000 11.45866 1.237311  11.45866 1.237311  0.000000       0.000000  
1 1 1 -11 0  3  o 20.63951 0.6444687 218.9000   13.60000 218.9000  13.60000 218.9000   13.60000 20.63951 0.6444687 20.63951 0.6444687 -0.000000      0.000000  
1 1 1 -11 0  4  o 66.40783 1.014518  2261.200   69.00000 2261.200  69.00000 2261.200   69.00000 66.40783 1.014518  66.40783 1.014518  0.000000       0.000000  
1 1 1 -11 0  5  o 159.6536 1.894271  13067.90   309.8000 13067.90  309.8000 13067.90   309.8000 159.6536 1.894271  159.6536 1.894271  -0.000000      0.000000  
1 1 1 -11 0  6  o 277.9353 3.159612  39618.10   899.6000 39618.10  899.6000 39618.10   899.6000 277.9353 3.159612  277.9353 3.159612  -0.000000      0.000000  
1 1 1 -11 0  7  o 71.35771 1.012487  2610.600   74.00000 2610.600  74.00000 2610.600   74.00000 71.35771 1.012487  71.35771 1.012487  -0.000000      0.000000  
1 1 1 -11 0  8  o 124.6811 1.497812  7969.300   191.3000 7969.300  191.3000 7969.300   191.3000 124.6811 1.497812  124.6811 1.497812  -0.000000      0.000000  
1 1 1 -11 0  9  o 165.2425 1.970221  13999.40   333.5000 13999.40  333.5000 13999.40   333.5000 165.2425 1.970221  165.2425 1.970221  -0.000000      0.000000  
1 1 1 -11 0  10 o 125.5772 1.602242  8085.000   206.1000 8085.000  206.1000 8085.000   206.1000 125.5772 1.602242  125.5772 1.602242  0.000000       0.000000  
1 1 1 -11 0  11 o 205.6723 2.378854  21690.80   501.2000 21690.80  501.2000 21690.80   501.2000 205.6723 2.378854  205.6723 2.378854  -0.000000      0.000000  
1 1 1 -11 0  12 o 157.0766 1.904866  12650.50   306.5000 12650.50  306.5000 12650.50   306.5000 157.0766 1.904866  157.0766 1.904866  0.000000       0.000000  
1 1 1 -11 0  13 o 46.79385 0.7512210 1122.800   36.00000 1122.800  36.00000 1122.800   36.00000 46.79385 0.7512210 46.79385 0.7512210 -0.000000      0.000000  
1 1 1 -11 0  14 o 98.71613 1.320292  4996.300   133.5000 4996.300  133.5000 4996.300   133.5000 98.71613 1.320292  98.71613 1.320292  0.000000       0.000000  
1 1 1 -11 0  15 o 115.3218 1.398442  6818.200   165.2000 6818.200  165.2000 6818.200   165.2000 115.3218 1.398442  115.3218 1.398442  -0.000000      0.000000  
1 1 1 -11 0  16 o 106.9895 1.453641  5869.400   159.3000 5869.400  159.3000 5869.400   159.3000 106.9895 1.453641  106.9895 1.453641  0.000000       0.000000  
1 1 1 -11 0  17 o 53.10448 0.9120970 1446.300   49.60000 1446.300  49.60000 1446.300   49.60000 53.10448 0.9120970 53.10448 0.9120970 0.000000       0.000000  
1 1 1 -11 0  18 o 93.72470 1.279170  4504.100   122.8000 4504.100  122.8000 4504.100   122.8000 93.72470 1.279170  93.72470 1.279170  -0.000000      0.000000  
1 1 1 -11 0  19 o 15.42367 1.022831  123.5000   16.00000 123.5000  16.00000 123.5000   16.00000 15.42367 1.022831  15.42367 1.022831  0.000000       0.000000  
1 1 1 -11 0  20 o 46.37117 0.8424360 1102.900   40.00000 1102.900  40.00000 1102.900   40.00000 46.37117 0.8424360 46.37117 0.8424360 -0.000000      0.000000  
1 1 1 -11 0  21 o 54.26120 0.8601737 1509.800   47.80000 1509.800  47.80000 1509.800   47.80000 54.26120 0.8601737 54.26120 0.8601737 0.000000       0.000000  
1 1 1 -11 0  22 o 139.3682 1.678989  9960.100   239.7000 9960.100  239.7000 9960.100   239.7000 139.3682 1.678989  139.3682 1.678989  -0.000000      0.000000  
1 1 1 -11 0  23 o 61.74093 0.9172179 1954.600   58.00000 1954.600  58.00000 1954.600   58.00000 61.74093 0.9172179 61.74093 0.9172179 0.000000       0.000000  
1 1 1 -11 0  24 o 22.87829 0.8816881 269.4000   20.60000 269.4000  20.60000 269.4000   20.60000 22.87829 0.8816881 22.87829 0.8816881 0.000000       0.000000  
1 1 1 -11 0  25 o 60.72395 1.145170  1891.700   71.20000 1891.700  71.20000 1891.700   71.20000 60.72395 1.145170  60.72395 1.145170  0.000000       0.000000  
1 1 1 -11 0  26 o 34.73437 1.086912  620.1000   38.60000 620.1000  38.60000 620.1000   38.60000 34.73437 1.086912  34.73437 1.086912  -0.000000      0.000000  
1 1 1 -11 0  27 o 39.60770 1.115682  805.9000   45.20000 805.9000  45.20000 805.9000   45.20000 39.60770 1.115682  39.60770 1.115682  -0.000000      0.000000  
1 1 1 -11 0  28 o 34.09247 1.165258  597.8000   40.60000 597.8000  40.60000 597.8000   40.60000 34.09247 1.165258  34.09247 1.165258  0.000000       0.000000  
1 1 1 -11 0  29 o 13.84616 1.647222  102.4000   22.50000 102.4000  22.50000 102.4000   22.50000 13.84616 1.647222  13.84616 1.647222  0.000000       0.000000  
1 1 1 -11 0  30 o 65.49760 1.279492  2201.800   85.80000 2201.800  85.80000 2201.800   85.80000 65.49760 1.279492  65.49760 1.279492  -0.000000      0.000000  
1 1 1 -11 0  31 o 88.37173 1.689873  4010.900   152.9000 4010.900  152.9000 4010.900   152.9000 88.37173 1.689873  88.37173 1.689873  -0.000000      0.000000  
1 1 1 -11 0  32 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -11 0  33 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -11 1  1  o 168.3698 1.004540  14526.44   173.3124 14574.60  349.6000 14479.10   343.7000 168.6115 2.023419  168.0595 1.995805  0.5520020      2.842088  
1 1 1 -11 1  2  o 116.8083 0.7129807 6991.102   85.33942 6991.300  168.8000 6990.900   172.6000 116.7981 1.410387  116.7941 1.442187  0.4066467E-02  2.017200  
1 1 1 -11 1  3  o 128.8047 0.7699550 8500.914   101.6238 8177.700  194.1000 8856.100   213.3000 126.3185 1.499548  131.4514 1.583534  -5.132889      2.180876  
1 1 1 -11 1  4  o 15.62534 0.4368157 125.1921   6.987143 90.40000  13.40000 163.1000   14.60000 13.24500 0.9945766 17.82322 0.8014578 -4.578226      1.277309  
1 1 1 -11 1  5  f 181.7444 1.063231  16925.95   198.0100 17389.40  399.5000 16470.50   392.6000 184.1763 2.116823  179.2431 2.137517  4.933228       3.008308  
1 1 1 -11 1  6  o 113.2605 1.454439  0.000000   0.000000 ?         ?        6574.200   168.8000 ?        ?         113.2605 1.454439  0.000000       1.454439  
1 1 1 -11 1  7  o 328.3164 1.852252  55251.82   623.1478 55784.40  1248.600 54721.20   1244.000 329.6767 3.696040  326.5165 3.718064  3.160217       5.242586  
1 1 1 -11 1  8  o 147.1908 0.8928486 11101.35   134.6657 11418.90  265.1000 10773.50   273.7000 149.2593 1.733285  144.9761 1.842383  4.283188       2.529556  
1 1 1 -11 1  9  o 63.04914 0.4492224 2036.755   29.02278 1884.600  52.90000 2221.700   64.30000 60.64623 0.8512428 65.84632 0.9529741 -5.200089      1.277800  
1 1 1 -11 1  10 o 224.2793 1.299144  25778.16   298.5691 25797.80  599.8000 25758.70   594.5000 224.2822 2.609836  224.1139 2.588717  0.1682739      3.675963  
1 1 1 -11 1  11 o 123.2284 0.7568415 7780.856   95.56832 8123.200  198.5000 7463.000   184.3000 125.8930 1.538724  120.6700 1.490485  5.222939       2.142246  
1 1 1 -11 1  12 o 243.2855 1.399587  30334.65   348.9108 30091.90  690.5000 30582.60   705.3000 242.1965 2.782258  244.1591 2.819048  -1.962631      3.960807  
1 1 1 -11 1  13 o 176.2622 1.050036  15921.03   189.6538 16074.90  386.8000 15773.00   372.1000 177.0583 2.131925  175.3917 2.070390  1.666550       2.971804  
1 1 1 -11 1  14 o 128.9507 0.7952181 8520.568   105.0771 8409.200  213.3000 8628.700   207.1000 128.0804 1.625212  129.7439 1.557740  -1.663513      2.251192  
1 1 1 -11 1  15 o 128.5534 0.8417448 8468.381   110.8823 8084.900  217.5000 8867.200   226.2000 125.5806 1.690202  131.5165 1.678472  -5.935913      2.382026  
1 1 1 -11 1  16 f 81.40052 0.5539172 3395.106   46.20302 3532.000  96.20000 3268.600   88.90000 83.01614 1.130874  79.86159 1.086339  3.154549       1.568123  
1 1 1 -11 1  17 o 157.5479 0.9828303 12720.27   158.6681 12951.20  312.9000 12482.70   321.9000 158.9186 1.921465  156.0109 2.013575  2.907761       2.783255  
1 1 1 -11 1  18 o 146.3488 0.8929245 10975.75   133.9067 11037.10  274.0000 10917.10   261.9000 146.7106 1.822598  145.9155 1.751603  0.7950745      2.527840  
1 1 1 -11 1  19 o 163.0485 0.9852524 13624.25   164.6125 14059.40  339.9000 13215.60   319.2000 165.5659 2.003466  160.5259 1.940526  5.040009       2.789178  
1 1 1 -11 1  20 o 63.00316 0.4730324 2033.854   30.53878 1933.100  58.00000 2145.900   64.50000 61.41752 0.9215891 64.70891 0.9727411 -3.291386      1.339982  
1 1 1 -11 1  21 o 89.87245 0.7152523 4138.894   65.86948 3992.100  108.9000 4363.600   166.7000 88.25262 1.204209  92.24603 1.763557  -3.993401      2.135475  
1 1 1 -11 1  22 o 118.9984 0.8752558 7256.857   106.7270 7467.400  193.3000 6997.300   238.3000 120.6825 1.563109  116.7959 1.991123  3.886589       2.531379  
1 1 1 -11 1  23 o 163.9329 1.136908  13774.44   190.9808 14284.40  341.5000 13127.40   433.3000 166.8705 1.997160  159.8957 2.644561  6.974808       3.313963  
1 1 1 -11 1  24 o 59.28637 0.5389872 1801.023   32.74399 1742.300  54.60000 1889.000   81.80000 58.30663 0.9138530 60.70282 1.315062  -2.396191      1.601410  
1 1 1 -11 1  25 o 89.20202 0.7189387 4077.542   65.71506 3963.200  114.3000 4232.200   154.6000 87.92516 1.268629  90.84135 1.660839  -2.916199      2.089930  
1 1 1 -11 1  26 o 64.34532 0.5834311 2121.595   38.46847 2222.000  70.00000 1999.100   85.40000 65.84045 1.037545  62.44186 1.334700  3.398590       1.690539  
1 1 1 -11 1  27 o 90.12263 0.7163714 4162.352   66.15620 4130.900  113.5000 4206.300   158.6000 89.76062 1.233990  90.54695 1.709350  -0.7863312     2.108224  
1 1 1 -11 1  28 o 64.15499 0.5735403 2109.140   37.70446 1981.400  61.40000 2312.400   97.70000 62.17195 0.9637746 67.14510 1.419979  -4.973145      1.716159  
1 1 1 -11 1  29 o 90.94076 0.7300811 4238.678   68.03432 4039.700  112.3000 4544.500   172.6000 88.75302 1.234805  94.08569 1.790272  -5.332664      2.174814  
1 1 1 -11 1  30 o 45.79244 0.4904743 1074.570   23.01486 1054.400  40.00000 1101.900   54.20000 45.35209 0.8607249 46.35258 1.141109  -1.000492      1.429327  
1 1 1 -11 1  31 o 27.92005 0.6447715 399.5499   18.44678 326.8000  29.30000 523.2000   49.80000 25.21467 1.136932  31.88433 1.528695  -6.669655      1.905131  
1 1 1 -11 1  32 o 62.18311 1.388905  0.000000   0.000000 ?         ?        1985.500   88.50000 ?        ?         62.18311 1.388905  0.000000       1.388905  
1 1 1 -11 1  33 o 52.05558 1.231685  0.000000   0.000000 ?         ?        1391.200   65.70000 ?        ?         52.05558 1.231685  0.000000       1.231685  
1 1 1 -11 2  1  o 174.8825 1.014770  15672.20   181.8495 15673.30  364.3000 15671.10   363.1000 174.8467 2.033309  174.8348 2.026749  0.1191711E-01  2.870898  
1 1 1 -11 2  2  o 59.99883 0.4208086 1844.443   25.87175 2044.100  54.20000 1662.100   49.50000 63.16033 0.8374455 56.95362 0.8481750 6.206707       1.191938  
1 1 1 -11 2  3  o 100.2020 0.6181645 5144.520   63.47151 5066.500  121.0000 5230.600   133.5000 99.43197 1.187575  101.0276 1.289564  -1.595604      1.753086  
1 1 1 -11 2  4  o 82.41839 0.5195919 3480.431   43.88184 3259.100  80.90000 3742.800   95.90000 79.75077 0.9899546 85.46291 1.095072  -5.712135      1.476209  
1 1 1 -11 2  5  o 188.6101 1.092341  18229.30   211.1162 17931.70  415.3000 18537.00   429.4000 187.0188 2.167096  190.1470 2.203810  -3.128189      3.090806  
1 1 1 -11 2  6  o 105.7159 0.6561762 5726.306   71.08189 5539.200  136.6000 5929.300   148.2000 103.9656 1.282220  107.5630 1.344580  -3.597404      1.857952  
1 1 1 -11 2  7  o 212.2260 1.227570  23081.14   266.9581 23291.40  538.2000 22874.20   529.7000 213.1222 2.464431  211.2061 2.447514  1.916153       3.473290  
1 1 1 -11 2  8  o 68.54427 0.4665524 2407.267   32.76951 2361.700  63.60000 2455.700   67.60000 67.88943 0.9142324 69.22694 0.9529567 -1.337517      1.320586  
1 1 1 -11 2  9  o 217.6293 1.246718  24271.88   278.0251 24152.60  548.7000 24394.40   563.6000 217.0210 2.467374  218.1002 2.521834  -1.079239      3.528113  
1 1 1 -11 2  10 o 61.94971 0.4442447 1966.348   28.20070 2067.500  61.90000 1881.700   51.80000 63.51965 0.9510080 60.59929 0.8341877 2.920357       1.265024  
1 1 1 -11 2  11 o 102.9971 0.6419187 5435.606   67.74910 5570.900  138.2000 5305.500   132.9000 104.2602 1.293573  101.7468 1.274693  2.513405       1.816087  
1 1 1 -11 2  12 o 205.9652 1.208681  21740.42   255.0962 21252.50  494.6000 22260.10   526.8000 203.5663 2.371101  208.3274 2.467749  -4.761154      3.422266  
1 1 1 -11 2  13 o 159.6966 0.9529353 13068.78   155.9400 13706.50  323.0000 12473.50   301.5000 163.5028 1.927876  155.9777 1.886368  7.525070       2.697237  
1 1 1 -11 2  14 o 107.5667 0.7044508 5928.826   77.64739 5924.300  156.2000 5933.300   154.4000 107.5088 1.417878  107.5910 1.400468  -0.8218384E-01 1.992909  
1 1 1 -11 2  15 o 207.5079 1.203551  22068.79   255.9159 22424.50  514.9000 21717.30   508.8000 209.0720 2.403414  205.7478 2.413313  3.324249       3.405948  
1 1 1 -11 2  16 o 165.7872 1.009715  14085.66   171.5333 14883.30  348.5000 13312.50   337.8000 170.3559 1.996399  161.1116 2.046136  9.244278       2.858720  
1 1 1 -11 2  17 o 221.7981 1.503259  25219.12   341.6568 25467.90  590.1000 24877.00   811.5000 222.7660 2.585106  219.9939 3.599810  2.772125       4.431862  
1 1 1 -11 2  18 o 269.0717 1.787318  37124.71   492.7972 37417.80  846.7000 36716.60   1179.000 269.9162 3.061274  267.0586 4.308330  2.857635       5.285178  
1 1 1 -11 2  19 f 94.06784 0.7321448 4534.334   70.57266 4521.700  124.4000 4550.900   163.1000 93.92232 1.292567  94.21004 1.689501  -0.2877274     2.127239  
1 1 1 -11 2  20 f 67.19702 0.5795171 2313.712   39.90384 2436.400  68.70000 2143.700   95.20000 68.94974 0.9723570 64.66544 1.436701  4.284294       1.734816  
1 1 1 -11 2  21 o 97.07329 0.7339152 4828.762   73.00355 4787.700  124.3000 4887.200   176.9000 96.64513 1.255142  97.62223 1.768401  -0.9771042     2.168553  
1 1 1 -11 2  22 o 20.78647 0.4963896 221.3921   10.57309 249.4000  18.60000 184.5000   24.50000 22.04529 0.8248317 18.92927 1.270445  3.116022       1.514721  
1 1 1 -11 2  23 o 146.8813 1.050916  11057.42   158.1732 11304.70  272.4000 10715.00   377.2000 148.4650 1.790543  144.4654 2.548058  3.999542       3.114265  
1 1 1 -11 2  24 o 82.92141 0.6424751 3523.402   54.59104 3416.000  91.70000 3681.400   134.9000 81.63696 1.096186  84.73166 1.553702  -3.094696      1.901477  
1 1 1 -11 2  25 o 31.85571 0.4556173 519.9682   14.87257 484.6000  25.10000 571.4000   36.50000 30.74042 0.7975032 33.37112 1.068769  -2.630701      1.333521  
1 1 1 -11 2  26 f 55.66015 0.5047800 1587.467   28.79021 1496.800  46.20000 1737.400   76.40000 54.04218 0.8342780 58.21204 1.280802  -4.169868      1.528553  
1 1 1 -11 2  27 o 113.0678 0.8274345 6552.224   95.86741 6576.200  165.9000 6519.400   227.1000 113.2376 1.429740  112.6984 1.966532  0.5392227      2.431338  
1 1 1 -11 2  28 o 175.2394 1.032518  15743.19   185.4077 15344.90  365.3000 16153.70   376.5000 172.8532 2.062404  177.3482 2.071762  -4.494965      2.923304  
1 1 1 -11 2  29 o 84.00263 0.5754225 3616.173   49.53112 3429.400  96.20000 3814.400   102.1000 81.77788 1.147997  86.24571 1.155287  -4.467834      1.628676  
1 1 1 -11 2  30 f 49.16781 0.4004534 1238.756   20.17582 1070.800  36.00000 1452.900   45.90000 45.70539 0.7686642 53.23667 0.8414019 -7.531273      1.139650  
1 1 1 -11 2  31 o 63.99315 0.4898542 2098.647   32.12171 2117.900  63.60000 2079.000   64.90000 64.26380 0.9658114 63.66909 0.9947586 0.5947113      1.386483  
1 1 1 -11 2  32 o 77.97900 0.7814106 3117.763   62.43892 3331.500  135.5000 2935.100   115.8000 80.50651 1.642517  75.58633 1.495089  4.920181       2.221070  
1 1 1 -11 2  33 o 50.90559 0.6200589 1328.415   32.34423 1330.500  69.50000 1326.600   60.50000 50.87837 1.334222  50.83642 1.161401  0.4195023E-01  1.768898  
1 1 1 -11 3  1  o 92.31890 0.5667359 4366.910   53.61295 4215.200  103.7000 4529.300   111.0000 90.69371 1.115843  94.01138 1.152243  -3.317673      1.603986  
1 1 1 -11 3  2  o 155.2335 0.8965514 12348.04   142.6130 12764.60  291.3000 11948.50   279.4000 157.7976 1.801531  152.6707 1.785963  5.126953       2.536765  
1 1 1 -11 3  3  o 138.9662 0.8287753 9895.442   118.0169 10480.20  247.0000 9360.400   226.0000 142.9881 1.685771  135.1353 1.632080  7.852875       2.346382  
1 1 1 -11 3  4  o 93.31831 0.5686345 4461.950   54.37490 4535.000  108.9000 4389.100   108.6000 94.07195 1.129716  92.54607 1.145179  1.525879       1.608631  
1 1 1 -11 3  5  o 182.8202 1.058704  17127.48   198.3339 17066.30  387.3000 17191.70   406.5000 182.4476 2.071624  183.1109 2.166447  -0.6632538     2.997519  
1 1 1 -11 3  6  o 89.76081 0.5851865 4128.245   53.82443 4142.100  107.3000 4114.300   108.0000 89.90410 1.164721  89.60170 1.176276  0.3023987      1.655355  
1 1 1 -11 3  7  o 62.70517 0.4418510 2014.599   28.39079 1857.300  50.90000 2213.000   64.20000 60.20508 0.8250614 65.71657 0.9533706 -5.511490      1.260810  
1 1 1 -11 3  8  o 190.7343 1.109846  18642.89   216.9151 19118.70  439.4000 18179.00   428.4000 193.0945 2.220710  188.2893 2.220370  4.805130       3.140318  
1 1 1 -11 3  9  o 133.3008 0.7966321 9105.015   108.8150 8809.200  209.6000 9424.400   226.3000 131.0975 1.560266  135.5954 1.628700  -4.497910      2.255459  
1 1 1 -11 3  10 o 178.8385 1.045002  16389.84   191.5035 16139.80  373.6000 16652.80   392.9000 177.4197 2.054975  180.2125 2.127643  -2.792725      2.958004  
1 1 1 -11 3  11 o 207.1144 1.210662  21984.09   256.9400 22475.30  529.9000 21521.70   498.8000 209.3243 2.470449  204.8443 2.376316  4.480026       3.427827  
1 1 1 -11 3  12 o 124.1126 0.7858530 7893.212   99.94369 7598.200  192.9000 8210.400   207.4000 121.7494 1.546205  126.5571 1.599278  -4.807640      2.224509  
1 1 1 -11 3  13 o 231.1146 1.544942  27380.81   365.8795 27670.60  635.6000 26987.70   862.2000 232.2159 2.671121  229.1763 3.671470  3.039597       4.540329  
1 1 1 -11 3  14 o 106.4965 0.7629216 5811.618   83.25562 5642.300  139.0000 6064.500   207.6000 104.9205 1.292873  108.7527 1.862897  -3.832199      2.267577  
1 1 1 -11 3  15 f 108.9934 0.7738443 6087.404   86.42752 5821.500  142.1000 6500.200   220.6000 106.5721 1.301224  112.5862 1.912149  -6.014153      2.312899  
1 1 1 -11 3  16 o 96.01220 0.7109331 4723.640   69.94450 4673.200  118.5000 4796.300   170.7000 95.48660 1.211093  96.71772 1.722381  -1.231117      2.105550  
1 1 1 -11 3  17 o 75.73520 0.6423426 2939.074   49.84974 2958.800  80.70000 2907.200   130.4000 75.98238 1.036483  75.29945 1.690003  0.6829376      1.982525  
1 1 1 -11 3  18 o 47.42348 0.5118922 1152.354   24.87541 1237.700  42.10000 1029.100   60.80000 49.14535 0.8359903 44.78693 1.326272  4.358421       1.567762  
1 1 1 -11 3  19 o 28.70308 0.4538227 422.1342   13.34791 421.3000  22.90000 423.3000   32.00000 28.66246 0.7804192 28.71809 1.089392  -0.5562973E-01 1.340085  
1 1 1 -11 3  20 o 112.7533 0.8304952 6514.983   95.95436 6581.400  166.7000 6424.900   226.1000 113.3041 1.435792  111.9193 1.971501  1.384750       2.438917  
1 1 1 -11 3  21 o 84.02077 0.6545190 3617.409   56.35173 3791.700  101.3000 3398.900   127.0000 86.00954 1.149382  81.42052 1.522199  4.589020       1.907399  
1 1 1 -11 3  22 o 82.51197 0.6300471 3488.642   53.27069 3433.400  90.40000 3567.900   129.7000 81.84625 1.077882  83.41903 1.517318  -1.572777      1.861205  
1 1 1 -11 3  23 o 69.15037 0.5897807 2450.234   41.79107 2264.700  67.70000 2749.500   109.2000 66.47372 0.9938946 73.23016 1.455239  -6.756447      1.762256  
1 1 1 -11 3  24 o 14.19766 0.8649379 103.6876   12.52375 122.3000  24.80000 84.70000   25.30000 15.36014 1.599026  12.69329 2.012165  2.666843       2.570153  
1 1 1 -11 3  25 o 100.2035 0.6604789 5145.304   67.81725 5136.400  134.2000 5154.400   137.1000 100.0908 1.308458  100.2646 1.334416  -0.1738281     1.868885  
1 1 1 -11 3  26 o 55.11493 0.4348554 1556.484   24.55910 1534.800  47.90000 1579.300   50.40000 54.72289 0.8542169 55.50983 0.8860582 -0.7869453     1.230766  
1 1 1 -11 3  27 o 72.02271 0.4955856 2658.050   36.57518 2417.400  67.10000 2946.400   80.40000 68.67311 0.9535367 75.81235 1.034946  -7.139236      1.407248  
1 1 1 -11 3  28 o 34.45523 0.3738216 608.2972   13.19830 568.9000  26.10000 648.6000   26.70000 33.31625 0.7645152 35.57402 0.7324534 -2.257771      1.058759  
1 1 1 -11 3  29 o 4.694968 1.507956  11.00121   8.224924 -5.000000 16.40000 27.10000   16.50000 4.315645 1.902520  7.198822 2.104567  -2.883177      2.837038  
1 1 1 -11 3  30 o 65.83002 0.4837947 2220.789   32.63499 2103.900  63.90000 2342.800   66.70000 64.05372 0.9735498 67.59325 0.9629951 -3.539536      1.369364  
1 1 1 -11 3  31 o 35.56073 0.4526888 648.0472   16.49563 608.9000  41.00000 674.4000   27.60000 34.42881 1.163826  36.26973 0.7426197 -1.840912      1.380571  
1 1 1 -11 3  32 o 64.46937 0.6522251 2130.668   43.08730 2157.900  88.80000 2105.000   83.70000 64.82262 1.336866  64.02980 1.275689  0.7928238      1.847862  
1 1 1 -11 3  33 o 61.38140 1.275085  1935.000   80.20000 1935.000  80.20000 ?          ?        61.38140 1.275085  ?        ?         0.000000       1.275085  
1 1 1 -11 4  1  o 79.55133 0.5875112 3242.612   47.89189 3166.400  78.80000 3360.700   122.1000 78.60584 0.9783022 80.97135 1.471587  -2.365509      1.767100  
1 1 1 -11 4  2  o 146.2785 0.8437683 10964.58   126.4742 10575.60  241.2000 11393.40   265.9000 143.6315 1.638812  149.0764 1.740649  -5.444824      2.390724  
1 1 1 -11 4  3  o 200.5897 1.137945  20620.38   233.8989 20189.40  453.7000 21079.00   482.8000 198.4103 2.231547  202.7260 2.324124  -4.315704      3.222011  
1 1 1 -11 4  4  o 19.66690 0.3393218 198.1754   6.838267 146.4000  12.30000 263.0000   15.40000 16.88804 0.7123674 22.64584 0.6643602 -5.757803      0.9740851 
1 1 1 -11 4  5  o 124.4567 0.7346832 7936.874   93.69506 7847.500  184.1000 8029.500   190.8000 123.7355 1.451982  125.1608 1.487687  -1.425369      2.078813  
1 1 1 -11 4  6  o 57.62756 0.4240008 1701.546   25.03775 1671.900  47.70000 1734.300   52.70000 57.12070 0.8149416 58.17623 0.8840293 -1.055534      1.202347  
1 1 1 -11 4  7  o 164.0065 0.9515402 13783.71   159.9140 13663.30  315.1000 13907.80   324.7000 163.2468 1.883672  164.6985 1.923952  -1.451706      2.692547  
1 1 1 -11 4  8  o 255.2841 1.453041  33403.90   380.1018 32839.00  749.8000 33984.70   770.9000 252.9598 2.892648  257.3301 2.923541  -4.370300      4.112724  
1 1 1 -11 4  9  o 207.8308 1.381954  22138.98   294.3079 21769.30  497.4000 22674.70   720.8000 206.0117 2.356218  210.1310 3.347543  -4.119278      4.093630  
1 1 1 -11 4  10 o 183.7277 1.214996  17300.30   228.7430 16832.60  380.6000 18004.80   573.3000 181.1748 2.050089  187.2832 2.987341  -6.108414      3.623130  
1 1 1 -11 4  11 o 75.30111 0.5525537 2905.365   42.63578 2865.500  72.70000 2961.900   103.1000 74.77776 0.9487757 76.01797 1.323561  -1.240211      1.628493  
1 1 1 -11 4  12 o 139.0742 0.9541349 9911.825   135.9736 9647.300  227.9000 10303.10   337.1000 137.1783 1.621289  141.7185 2.321314  -4.540222      2.831444  
1 1 1 -11 4  13 o 141.2218 0.9825220 10220.56   142.1813 10499.20  249.7000 9852.100   330.2000 143.1000 1.702866  138.5774 2.325339  4.522568       2.882179  
1 1 1 -11 4  14 o 157.0124 1.074625  12634.66   172.8977 12223.20  287.3000 13256.50   434.2000 154.3925 1.815979  160.7115 2.636602  -6.318924      3.201477  
1 1 1 -11 4  15 o 89.59126 0.7238206 4113.000   66.45000 4555.200  132.9000 3670.800   132.9000 94.26772 1.375826  84.61823 1.532719  9.649483       2.059642  
1 1 1 -11 4  16 o 149.7625 1.072484  11494.97   164.5858 11435.30  279.8000 11580.20   399.7000 149.3296 1.828535  150.2047 2.596883  -0.8750610     3.176058  
1 1 1 -11 4  17 o 149.2017 1.035222  11408.94   158.2726 11603.20  274.5000 11144.40   373.8000 150.4229 1.780861  147.3586 2.475514  3.064240       3.049531  
1 1 1 -11 4  18 o 81.96254 0.6327199 3442.302   53.14046 3606.000  97.50000 3246.200   116.8000 83.87813 1.134377  79.57487 1.432414  4.303253       1.827189  
1 1 1 -11 4  19 f 66.80294 0.5984068 2286.679   40.96288 2090.900  64.00000 2634.800   113.8000 63.87360 0.9778230 71.68633 1.549200  -7.812729      1.831982  
1 1 1 -11 4  20 o 41.07844 0.3854638 864.6014   16.22542 1004.000  35.20000 745.4000   30.10000 44.26320 0.7760711 38.13917 0.7701883 6.124031       1.093378  
1 1 1 -11 4  21 o 146.8751 0.8834741 11055.34   132.9659 10682.40  254.7000 11462.70   278.2000 144.3264 1.722205  149.4968 1.816046  -5.170410      2.502801  
1 1 1 -11 4  22 o 85.48139 0.5549800 3744.177   48.61243 3414.000  90.30000 4129.200   105.3000 81.61365 1.079758  89.75394 1.144924  -8.140289      1.573762  
1 1 1 -11 4  23 o 41.99335 0.3875778 903.5515   16.67776 923.0000  35.70000 886.5000   31.30000 42.43887 0.8209299 41.59229 0.7344007 0.8465729      1.101486  
1 1 1 -11 4  24 o 21.63932 0.5602389 240.1049   12.41223 189.6000  21.70000 307.6000   29.00000 19.20029 1.107645  24.46838 1.159932  -5.268089      1.603846  
1 1 1 -11 4  25 o 100.7476 0.6374406 5201.376   65.80711 5575.100  141.0000 4874.300   123.4000 104.2726 1.319625  97.50374 1.235081  6.768845       1.807439  
1 1 1 -11 4  26 o 30.10642 0.3980894 464.4314   12.28112 392.6000  22.00000 555.2000   27.80000 27.66647 0.7767846 32.90253 0.8252013 -5.236063      1.133292  
1 1 1 -11 4  27 o 82.89330 0.5562042 3521.171   47.24459 3794.500  100.7000 3279.600   89.00000 86.02501 1.142369  79.97865 1.085969  6.046356       1.576178  
1 1 1 -11 4  28 o 161.4531 0.9781395 13364.41   161.8250 13052.60  323.5000 13676.50   323.8000 159.3946 1.980626  163.1693 1.936600  -3.774734      2.770072  
1 1 1 -11 4  29 o 63.30717 0.4781934 2053.795   31.02094 2018.800  60.20000 2091.000   64.00000 62.74850 0.9362563 63.85857 0.9780531 -1.110065      1.353944  
1 1 1 -11 4  30 o 63.49337 0.4873216 2066.005   31.70607 2059.500  65.00000 2072.200   61.90000 63.36835 1.001019  63.56668 0.9503045 -0.1983223     1.380260  
1 1 1 -11 4  31 o 40.50182 0.4352319 840.6579   18.06316 813.1000  42.90000 860.7000   31.20000 39.79597 1.052935  40.97260 0.7431264 -1.176624      1.288762  
1 1 1 -11 4  32 o 60.39640 0.6675812 1870.112   41.31555 1783.000  81.40000 1959.900   83.90000 58.91510 1.348340  61.77133 1.325491  -2.856224      1.890753  
1 1 1 -11 5  1  o 73.67569 0.5799530 2781.336   43.78399 2935.100  73.00000 2550.900   109.4000 75.67965 0.9413376 70.54041 1.513495  5.139236       1.782353  
1 1 1 -11 5  2  o 136.5999 0.7885684 9561.708   110.3794 9425.800  213.7000 9706.900   228.3000 135.5967 1.538003  137.5994 1.619165  -2.002731      2.233192  
1 1 1 -11 5  3  o 143.4987 0.8188146 10551.99   120.4015 10892.60  246.9000 10227.80   235.0000 145.7603 1.653041  141.2439 1.623678  4.516418       2.317083  
1 1 1 -11 5  4  o 66.51049 0.4335244 2266.564   29.54622 2134.400  54.10000 2425.600   65.10000 64.53857 0.8180493 68.79893 0.9234235 -4.260361      1.233659  
1 1 1 -11 5  5  f 52.48568 0.4343704 1411.462   23.36143 1607.900  44.90000 1198.400   48.70000 56.01627 0.7822287 48.35792 0.9827952 7.658356       1.256092  
1 1 1 -11 5  6  o 82.28442 0.6005868 3469.287   50.63977 3557.300  89.40000 3354.300   116.8000 83.31443 1.047174  80.89389 1.409058  2.420540       1.755567  
1 1 1 -11 5  7  o 123.9387 0.8693735 7871.542   110.4108 8519.100  199.4000 7068.100   247.4000 128.9127 1.509493  117.3951 2.056607  11.51758       2.551118  
1 1 1 -11 5  8  o 123.0340 0.8528695 7757.012   107.5241 7553.200  183.2000 8046.600   260.3000 121.3858 1.472852  125.2585 2.028003  -3.872650      2.506410  
1 1 1 -11 5  9  o 136.6917 0.9492093 9575.220   132.9543 9832.600  236.3000 9244.100   304.0000 138.4847 1.665189  134.2416 2.209978  4.243073       2.767103  
1 1 1 -11 5  10 o 46.64655 0.4324893 1114.880   20.67251 1069.400  35.00000 1180.500   50.50000 45.68308 0.7476775 47.99448 1.026838  -2.311398      1.270204  
1 1 1 -11 5  11 o 189.7096 1.271345  18447.08   247.1446 18633.50  426.5000 18190.20   587.7000 190.5885 2.183856  188.1986 3.047481  2.389969       3.749182  
1 1 1 -11 5  12 o 193.5641 1.293583  19204.71   256.5769 19628.10  452.2000 18649.40   593.1000 195.5990 2.256138  190.5574 3.037412  5.041565       3.783653  
1 1 1 -11 5  13 o 172.8191 1.155608  15307.57   204.6448 15564.10  358.3000 14965.90   477.2000 174.1988 2.007258  170.7411 2.727496  3.457764       3.386491  
1 1 1 -11 5  14 f 105.3003 0.7438164 5681.886   80.25896 5651.100  137.7000 5724.900   192.4000 104.9991 1.279823  105.6607 1.777024  -0.6615677     2.189922  
1 1 1 -11 5  15 o 57.32229 0.4894264 1683.622   28.74811 1821.800  51.80000 1511.300   64.60000 59.62417 0.8478305 54.30114 1.160981  5.323025       1.437600  
1 1 1 -11 5  16 o 72.49081 0.5623212 2692.613   41.77013 2537.500  68.60000 2934.100   106.8000 70.36587 0.9514012 75.65440 1.377649  -5.288536      1.674241  
1 1 1 -11 5  17 o 188.4511 1.104661  18202.12   213.3174 17981.20  418.4000 18431.90   435.2000 187.2065 2.181084  189.5308 2.240839  -2.324310      3.127058  
1 1 1 -11 5  18 o 80.51376 0.5238929 3321.581   43.22261 3118.000  82.00000 3548.500   91.40000 77.99814 1.025962  83.20744 1.071977  -5.209305      1.483824  
1 1 1 -11 5  19 o 42.57793 0.3633398 928.8713   15.85243 1025.000  34.00000 844.9000   29.70000 44.72394 0.7418916 40.60538 0.7137966 4.118561       1.029519  
1 1 1 -11 5  20 o 106.8507 0.6627896 5850.402   72.56904 5740.900  139.8000 5968.600   150.9000 105.8247 1.289204  107.8994 1.364809  -2.074692      1.877432  
1 1 1 -11 5  21 o 91.00803 0.5966787 4244.057   55.64404 3964.700  105.7000 4554.600   117.5000 87.94637 1.172894  94.26056 1.216493  -6.314194      1.689833  
1 1 1 -11 5  22 o 83.55007 0.5616534 3576.954   48.08545 3697.300  102.6000 3470.800   90.50000 84.92689 1.178973  82.28809 1.073280  2.638794       1.594336  
1 1 1 -11 5  23 o 103.1827 0.6385992 5455.760   67.52017 5294.100  131.3000 5626.900   139.0000 101.6176 1.260948  104.7610 1.294841  -3.143410      1.807375  
1 1 1 -11 5  24 o 57.07250 0.4460278 1669.023   26.08479 1749.200  54.30000 1594.900   50.20000 58.41879 0.9070870 55.78337 0.8782145 2.635414       1.262564  
1 1 1 -11 5  25 o 111.1687 0.7097785 6333.526   80.85439 6077.600  155.7000 6610.000   168.2000 108.8591 1.395808  113.5229 1.445920  -4.663818      2.009717  
1 1 1 -11 5  26 o 19.40246 0.4736995 192.9037   9.417990 151.7000  17.80000 239.2000   20.00000 17.17184 1.016134  21.58278 0.9063414 -4.410948      1.361610  
1 1 1 -11 5  27 o 87.42240 0.5842561 3916.667   52.33887 3685.100  100.6000 4167.800   109.1000 84.76929 1.158140  90.14865 1.181047  -5.379364      1.654134  
1 1 1 -11 5  28 o 109.9499 0.8237497 6197.281   92.80865 6291.300  235.2000 6136.000   153.3000 110.6154 2.075024  109.3512 1.368108  1.264297       2.485447  
1 1 1 -11 5  29 o 24.11223 0.5374681 297.9688   13.27971 250.7000  32.00000 331.5000   22.70000 22.05209 1.423734  25.41172 0.8730495 -3.359632      1.670100  
1 1 1 -11 5  30 o 76.78082 0.6188442 3021.869   48.68917 3311.600  126.9000 2841.500   79.00000 80.28028 1.542604  74.42300 1.035909  5.857277       1.858153  
1 1 1 -11 5  31 o 68.53830 0.7095759 2408.479   49.83455 2343.900  95.60000 2478.800   104.1000 67.54649 1.381200  69.45176 1.462747  -1.905273      2.011801  
1 1 1 -11 6  1  o 51.89611 1.182817  0.000000   0.000000 ?         ?        1380.400   62.90000 ?        ?         51.89611 1.182817  0.000000       1.182817  
1 1 1 -11 6  2  o 78.11435 1.535404  3128.300   122.9000 3128.300  122.9000 ?          ?        78.11435 1.535404  ?        ?         0.000000       1.535404  
1 1 1 -11 6  3  o 91.18732 0.7793658 4260.969   72.82393 4445.600  162.9000 4111.700   131.7000 93.11301 1.707310  89.55832 1.435098  3.554688       2.230339  
1 1 1 -11 6  4  o 56.48043 0.4517265 1634.513   26.14400 1666.800  47.40000 1594.800   58.30000 57.03209 0.8110745 55.78383 1.019910  1.248253       1.303095  
1 1 1 -11 6  5  o 74.17620 0.5412449 2819.237   41.13929 2842.600  73.90000 2789.900   92.80000 74.47649 0.9683378 73.77727 1.227516  0.6992188      1.563481  
1 1 1 -11 6  6  o 88.47877 0.6299219 4011.369   57.11157 3806.000  95.40000 4317.700   142.3000 86.17521 1.080358  91.77174 1.513204  -5.596527      1.859290  
1 1 1 -11 6  7  o 25.31066 0.3267311 328.2371   8.474074 299.8000  14.30000 369.6000   20.80000 24.18868 0.5769330 26.84578 0.7568724 -2.657091      0.9516867 
1 1 1 -11 6  8  o 96.87286 0.6714879 4808.676   66.65591 4658.900  111.2000 5032.800   166.4000 95.34138 1.138217  99.07475 1.639049  -3.733368      1.995500  
1 1 1 -11 6  9  o 146.4675 0.9955340 10994.32   149.4155 10676.60  250.9000 11462.10   369.4000 144.2985 1.696839  149.4526 2.412099  -5.154099      2.949150  
1 1 1 -11 6  10 o 147.1494 0.9915676 11096.95   149.5131 10668.10  248.3000 11746.00   375.8000 144.2415 1.679918  151.2896 2.424094  -7.048035      2.949297  
1 1 1 -11 6  11 o 113.8623 0.7770069 6643.577   90.65740 6643.000  154.2000 6644.400   220.0000 113.8391 1.321887  113.8223 1.886241  0.1688385E-01  2.303322  
1 1 1 -11 6  12 o 115.8469 0.8013251 6877.287   95.12431 6629.200  156.9000 7259.300   241.6000 113.7191 1.346452  118.9649 1.981891  -5.245766      2.396002  
1 1 1 -11 6  13 o 134.9675 0.8061767 9334.896   111.4956 9547.800  221.6000 9119.300   224.4000 136.4607 1.584761  133.3598 1.642100  3.100906       2.282096  
1 1 1 -11 6  14 o 135.6702 0.8085709 9432.393   112.4090 8948.100  212.7000 9975.200   238.4000 132.1057 1.571258  139.4751 1.668058  -7.369400      2.291565  
1 1 1 -11 6  15 o 35.02222 0.3350744 628.4497   12.02495 652.7000  24.10000 604.3000   24.00000 35.68979 0.6589837 34.34089 0.6820267 1.348904       0.9483775 
1 1 1 -11 6  16 f 108.4441 0.6714496 6026.166   74.61353 5849.900  146.0000 6210.400   152.6000 106.8242 1.333782  110.0656 1.353021  -3.241432      1.899905  
1 1 1 -11 6  17 o 74.98544 0.5055574 2881.096   38.84595 3103.800  80.70000 2674.400   74.90000 77.82001 1.012008  72.23665 1.011873  5.583359       1.431100  
1 1 1 -11 6  18 f 136.0389 0.8080251 9483.948   112.6384 9794.700  233.4000 9194.100   217.7000 138.2023 1.648114  133.9025 1.586614  4.299820       2.287711  
1 1 1 -11 6  19 f 57.96833 0.4253843 1721.778   25.26799 1808.300  52.40000 1641.200   48.80000 59.40121 0.8608702 56.59046 0.8415467 2.810745       1.203868  
1 1 1 -11 6  20 o 40.73310 0.4084207 850.1389   17.04722 770.9000  32.30000 938.7000   36.10000 38.78488 0.8127213 42.79820 0.8231582 -4.013317      1.156765  
1 1 1 -11 6  21 o 63.52408 0.4553130 2067.669   29.63786 2127.200  60.50000 2010.500   58.10000 64.42393 0.9164521 62.63208 0.9052757 1.791851       1.288180  
1 1 1 -11 6  22 o 72.14600 0.4806850 2667.088   35.53622 2522.100  69.70000 2817.900   72.50000 70.14660 0.9696785 74.14658 0.9542201 -3.999977      1.360446  
1 1 1 -11 6  23 o 77.08214 0.5296198 3044.637   41.83274 2940.300  82.00000 3153.300   85.40000 75.73436 1.056629  78.42931 1.062628  -2.694954      1.498547  
1 1 1 -11 6  24 o 48.62172 0.4691288 1211.382   23.37334 1447.900  66.30000 1082.600   36.10000 53.13844 1.217605  45.95999 0.7665296 7.178448       1.438794  
1 1 1 -11 6  25 o 102.8061 0.7718295 5417.128   81.30903 5645.700  205.6000 5267.600   134.5000 104.8516 1.913594  101.3429 1.295182  3.508728       2.310700  
1 1 1 -11 6  26 o 79.33407 0.6257352 3225.606   50.86847 3491.900  131.4000 3057.400   83.00000 82.48320 1.554646  77.21796 1.048966  5.265244       1.875434  
1 1 1 -11 6  27 o 109.0516 0.8000325 6096.373   89.40011 6331.700  227.2000 5943.700   147.4000 110.9766 1.997921  107.6244 1.336560  3.352219       2.403764  
1 1 1 -11 6  28 o 47.68716 0.4525568 1165.371   22.11428 1188.800  51.60000 1147.800   38.70000 48.14172 1.045995  47.31557 0.7981941 0.8261452      1.315758  
1 1 1 -11 6  29 o 35.28652 0.4260599 638.0927   15.40557 590.0000  35.70000 674.6000   27.10000 33.89672 1.029000  36.27403 0.7290798 -2.377312      1.261110  
1 1 1 -11 6  30 o 49.80668 0.5021912 1271.453   25.63038 1238.100  58.20000 1297.700   45.80000 49.11096 1.156502  50.29881 0.8886063 -1.187851      1.458464  
1 1 1 -11 6  31 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -11 7  1  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -11 7  2  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -11 7  3  o 118.5037 1.987956  7203.600   241.4000 7203.600  241.4000 ?          ?        118.5037 1.987956  ?        ?         0.000000       1.987956  
1 1 1 -11 7  4  o 189.7901 1.495408  18467.46   290.8250 19331.50  628.5000 17723.30   541.3000 193.9533 3.162348  185.7639 2.843665  8.189453       4.252867  
1 1 1 -11 7  5  o 173.3531 1.123056  15402.66   199.4948 15827.80  351.8000 14845.80   460.8000 175.6618 1.954430  170.0445 2.644548  5.617325       3.288378  
1 1 1 -11 7  6  o 63.55536 0.4712923 2069.673   30.69311 2176.100  57.30000 1946.900   66.10000 65.16393 0.8581219 61.63342 1.046615  3.530514       1.353431  
1 1 1 -11 7  7  o 216.1044 1.418582  23941.89   314.1352 24990.50  563.1000 22618.80   710.5000 220.6472 2.490512  209.7674 3.305428  10.87979       4.138659  
1 1 1 -11 7  8  o 47.32715 0.4022487 1147.652   19.50758 1133.300  33.20000 1168.100   47.30000 47.02807 0.6889419 47.74133 0.9668703 -0.7132607     1.187215  
1 1 1 -11 7  9  o 124.6359 0.7411385 7960.256   94.65439 8210.100  198.9000 7733.400   180.6000 126.5420 1.533916  122.8189 1.435008  3.723129       2.100511  
1 1 1 -11 7  10 o 55.19179 0.3925286 1560.766   22.19955 1553.300  44.20000 1568.300   44.60000 55.05575 0.7834679 55.32090 0.7867689 -0.2651520     1.110327  
1 1 1 -11 7  11 f 82.01609 0.5162492 3446.691   43.38673 3769.000  94.80000 3174.700   80.00000 85.75329 1.078845  78.70478 0.9919516 7.048508       1.465563  
1 1 1 -11 7  12 o 59.49717 0.4253106 1813.785   25.92990 1679.300  49.30000 1963.000   54.70000 57.24421 0.8404598 61.89064 0.8625097 -4.646431      1.204282  
1 1 1 -11 7  13 o 62.53267 0.4410909 2003.592   28.26399 1834.900  51.00000 2213.300   63.40000 59.83757 0.8317597 65.71649 0.9414918 -5.878925      1.256277  
1 1 1 -11 7  14 o 63.51812 0.4441995 2067.243   28.91172 2217.500  61.20000 1932.700   54.80000 65.77927 0.9079543 61.41072 0.8708393 4.368557       1.258071  
1 1 1 -11 7  15 o 150.1676 0.8643056 11556.58   132.9970 11162.20  256.0000 11983.00   276.8000 147.5306 1.693399  152.8521 1.767242  -5.321503      2.447600  
1 1 1 -11 7  16 o 22.15018 0.4137252 251.3905   9.390476 313.4000  20.40000 198.5000   17.40000 24.71641 0.8065444 19.66162 0.8657601 5.054787       1.183239  
1 1 1 -11 7  17 o 14.10642 0.5885966 102.1435   8.489412 47.30000  16.40000 161.0000   17.60000 9.451908 1.757954  17.69695 0.9743050 -8.245041      2.009893  
1 1 1 -11 7  18 o 28.26893 0.8328812 0.000000   0.000000 ?         ?        409.9000   24.10000 ?        ?         28.26893 0.8328812 0.000000       0.8328812 
1 1 1 -11 7  19 o 129.2100 0.7677819 8555.883   101.6559 8939.800  213.2000 8206.000   194.3000 132.0263 1.575899  126.4978 1.498964  5.528427       2.174937  
1 1 1 -11 7  20 o 91.04935 0.7222865 4248.379   67.38834 4015.900  145.4000 4449.200   125.6000 88.48263 1.603644  93.15131 1.315838  -4.668678      2.074392  
1 1 1 -11 7  21 o 73.08989 0.5710795 2737.489   42.77128 2624.200  94.70000 2830.800   78.00000 71.53799 1.291858  74.31197 1.024324  -2.773979      1.648678  
1 1 1 -11 7  22 o 94.03235 0.6996941 4531.439   67.41924 4472.900  155.2000 4576.400   119.2000 93.36971 1.622136  94.47184 1.231333  -1.102127      2.036543  
1 1 1 -11 7  23 o 142.3565 0.9866856 10389.17   143.9310 10509.30  354.1000 10306.90   242.5000 142.9651 2.417117  141.7133 1.669947  1.251755       2.937886  
1 1 1 -11 7  24 o 91.48935 0.6894041 4289.942   64.63129 4342.700  155.7000 4252.500   110.5000 91.97897 1.651968  91.06021 1.184228  0.9187622      2.032583  
1 1 1 -11 7  25 o 108.9725 0.7815947 6087.139   87.27637 6719.300  232.3000 5706.700   139.8000 114.3402 1.982677  105.4676 1.293570  8.872581       2.367347  
1 1 1 -11 7  26 o 45.08361 0.4485513 1041.570   20.72188 975.7000  49.20000 1089.500   35.80000 43.60001 1.102119  46.10113 0.7578322 -2.501125      1.337526  
1 1 1 -11 7  27 o 31.87419 0.3797355 520.6159   12.40277 576.4000  28.60000 477.9000   21.90000 33.52804 0.8324525 30.53264 0.6999732 2.995401       1.087630  
1 1 1 -11 7  28 o 21.09883 0.4693262 228.1454   10.14686 211.5000  23.60000 240.7000   17.80000 20.26819 1.140921  21.65063 0.8037217 -1.382433      1.395589  
1 1 1 -11 7  29 o 29.91136 0.4623334 458.5434   14.17065 398.2000  34.60000 500.4000   24.00000 27.82089 1.216629  31.23853 0.7497600 -3.417641      1.429099  
1 1 1 -11 8  1  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -11 8  2  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -11 8  3  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -11 8  4  o 40.93935 0.9940238 859.0000   41.70000 859.0000  41.70000 ?          ?        40.93935 0.9940238 ?        ?         0.000000       0.9940238 
1 1 1 -11 8  5  o 28.32411 0.3469757 411.0535   10.07056 384.7000  29.10000 425.0000   15.40000 27.37705 1.039195  28.79987 0.5218332 -1.422825      1.162857  
1 1 1 -11 8  6  o 117.5871 0.6849564 7085.253   82.53172 7463.900  174.0000 6743.600   157.0000 120.6578 1.407328  114.6919 1.335883  5.965950       1.940401  
1 1 1 -11 8  7  o 23.37389 0.2869457 279.9254   6.872727 267.3000  14.00000 292.1000   13.50000 22.83179 0.5989146 23.87589 0.5517926 -1.044094      0.8143548 
1 1 1 -11 8  8  o 199.6821 1.126121  20437.67   230.4213 20569.40  462.7000 20307.00   459.0000 200.1962 2.255513  198.9157 2.251880  1.280502       3.187209  
1 1 1 -11 8  9  o 122.8300 0.7218738 7731.324   90.85817 7865.900  185.7000 7602.400   177.9000 123.8604 1.463124  121.7703 1.425726  2.090050       2.042897  
1 1 1 -11 8  10 o 75.99480 0.4903034 2959.183   38.18099 2696.400  71.00000 3264.900   82.60000 72.53376 0.9552560 79.81324 1.009966  -7.279480      1.390160  
1 1 1 -11 8  11 o 124.6982 0.7203658 7968.329   92.04745 7863.300  179.8000 8078.500   188.6000 123.8417 1.416852  125.5217 1.466305  -1.680084      2.039000  
1 1 1 -11 8  12 f 114.0576 0.6744835 6666.332   78.83043 6484.900  154.0000 6856.600   161.5000 112.4682 1.336265  115.6450 1.362847  -3.176826      1.908653  
1 1 1 -11 8  13 o 36.07565 0.3557035 666.8322   13.14924 722.2000  26.50000 612.3000   26.10000 37.54111 0.6888750 34.56647 0.7368634 2.974636       1.008720  
1 1 1 -11 8  14 o 222.3978 1.256926  25356.29   286.4431 25285.30  575.7000 25426.60   570.1000 221.8862 2.532023  222.5119 2.500342  -0.6257324     3.558490  
1 1 1 -11 8  15 o 88.22119 0.5690280 3988.127   51.44048 3811.000  104.3000 4160.500   101.5000 86.22186 1.180507  90.09201 1.099465  -3.870155      1.613202  
1 1 1 -11 8  16 o 156.3915 1.066254  12537.11   170.8724 11978.30  404.4000 12946.00   295.9000 152.6925 2.584611  158.8505 1.817849  -6.158066      3.159872  
1 1 1 -11 8  17 o 103.4467 0.7430785 5484.122   78.76796 5547.700  197.1000 5441.800   131.2000 103.9789 1.849878  103.0242 1.242785  0.9546661      2.228579  
1 1 1 -11 8  18 o 101.4750 0.7408558 5277.168   77.03552 5230.500  194.4000 5307.800   127.6000 100.9530 1.879224  101.7459 1.223870  -0.7928619     2.242619  
1 1 1 -11 8  19 o 29.76315 0.4037808 453.9026   12.31468 515.0000  30.40000 412.3000   20.70000 31.68339 0.9373924 28.35493 0.7129976 3.328459       1.177739  
1 1 1 -11 8  20 o 46.57879 0.4507501 1111.716   21.51406 1194.000  52.40000 1054.400   36.50000 48.25946 1.059621  45.35698 0.7853267 2.902481       1.318914  
1 1 1 -11 8  21 o 89.35329 0.6593040 4091.739   60.36631 4408.600  159.3000 3898.400   97.20000 92.67937 1.677391  87.19624 1.087853  5.483124       1.999266  
1 1 1 -11 8  22 o 63.98056 0.5243228 2097.721   34.37519 2041.400  78.10000 2142.000   61.40000 63.08975 1.208075  64.63911 0.9269891 -1.549355      1.522745  
1 1 1 -11 8  23 o 23.53654 0.4097504 283.8647   9.882353 302.1000  24.00000 271.1000   16.80000 24.25413 0.9676084 22.98707 0.7140921 1.267057       1.202578  
1 1 1 -11 8  24 o 63.71806 0.4512877 2080.533   29.46554 2211.300  61.70000 1961.000   56.40000 65.67073 0.9168853 61.84385 0.8899882 3.826885       1.277794  
1 1 1 -11 8  25 o 54.92541 0.3931032 1545.924   22.12475 1509.100  44.40000 1582.500   44.10000 54.25299 0.7986581 55.55787 0.7746306 -1.304871      1.112613  
1 1 1 -11 8  26 o 107.6164 0.7565333 5937.987   83.42669 6496.200  217.6000 5590.900   135.3000 112.3488 1.890131  104.3562 1.265264  7.992607       2.274530  
1 1 1 -11 8  27 o 42.95129 0.4288079 945.4464   18.87284 917.4000  45.40000 965.4000   32.30000 42.28137 1.047872  43.39134 0.7264422 -1.109970      1.275051  
1 1 1 -11 8  28 o 13.50113 0.7783195 93.79277   10.72214 41.30000  21.80000 144.6000   21.10000 8.790720 2.367564  16.73340 1.239349  -7.942678      2.672330  
1 1 1 -11 9  1  o 154.7398 1.910288  0.000000   0.000000 ?         ?        12286.10   302.9000 ?        ?         154.7398 1.910288  0.000000       1.910288  
1 1 1 -11 9  2  o 138.2643 2.437888  0.000000   0.000000 ?         ?        9817.600   345.4000 ?        ?         138.2643 2.437888  0.000000       2.437888  
1 1 1 -11 9  3  o 19.96025 1.733266  0.000000   0.000000 ?         ?        205.9000   35.10000 ?        ?         19.96025 1.733266  0.000000       1.733266  
1 1 1 -11 9  4  o 103.1053 0.9199591 5448.439   97.19584 5708.400  200.1000 5202.900   189.0000 105.4837 1.851243  100.7064 1.831498  4.777321       2.604128  
1 1 1 -11 9  5  o 102.1331 0.6131793 5345.211   64.17303 5453.300  185.2000 5287.900   98.20000 103.1069 1.752890  101.5741 0.9434748 1.532883       1.990670  
1 1 1 -11 9  6  o 168.9794 0.9461448 14634.77   163.8286 15205.80  342.2000 14110.30   314.3000 172.1491 1.939889  165.8430 1.849477  6.306168       2.680249  
1 1 1 -11 9  7  o 115.6892 0.6734436 6858.521   79.83485 6591.900  151.8000 7154.300   168.4000 113.3907 1.306459  118.1236 1.391256  -4.732841      1.908515  
1 1 1 -11 9  8  o 40.95774 0.3641607 859.5333   15.28366 891.6000  29.60000 825.3000   31.60000 41.71193 0.6925213 40.13024 0.7684524 1.581684       1.034459  
1 1 1 -11 9  9  o 150.2710 0.8649375 11573.04   133.1859 11805.60  274.4000 11353.70   258.8000 151.7023 1.765199  148.7774 1.697575  2.924881       2.449018  
1 1 1 -11 9  10 o 123.3750 0.7247261 7800.372   91.62191 7462.300  177.3000 8161.900   189.6000 120.6342 1.434300  126.1599 1.466624  -5.525734      2.051390  
1 1 1 -11 9  11 f 80.12800 0.5160587 3289.921   42.37227 3492.200  90.60000 3112.200   79.60000 82.53934 1.071196  77.92184 0.9969090 4.617508       1.463314  
1 1 1 -11 9  12 o 32.76333 0.3735350 550.0103   12.54058 675.3000  29.90000 459.5000   21.60000 36.29973 0.8038396 29.94415 0.7039526 6.355583       1.068507  
1 1 1 -11 9  13 o 72.72003 0.5392452 2709.777   40.18267 2596.500  90.30000 2800.600   72.40000 71.16383 1.238312  73.91823 0.9558475 -2.754395      1.564309  
1 1 1 -11 9  14 o 40.47528 0.3748468 839.4159   15.54684 832.6000  35.60000 844.7000   27.60000 40.30482 0.8619749 40.59957 0.6634211 -0.2947464     1.087717  
1 1 1 -11 9  15 o 115.0564 0.7880579 6784.656   92.91106 6550.300  215.9000 6961.700   163.1000 112.9695 1.865061  116.5109 1.366120  -3.541443      2.311868  
1 1 1 -11 9  16 o 15.47597 0.5367356 122.8776   8.498823 100.0000  16.80000 146.3000   17.20000 13.91471 1.189649  16.86403 0.9998211 -2.949316      1.553997  
1 1 1 -11 9  17 o 46.35610 0.4152137 1101.095   19.72318 1228.300  49.70000 1017.400   32.70000 48.94938 0.9908568 44.55521 0.7162273 4.394165       1.222611  
1 1 1 -11 9  18 o 72.67529 0.5714787 2706.640   42.55839 2707.500  99.80000 2706.000   74.20000 72.65350 1.340527  72.65158 0.9966908 0.1922607E-02  1.670451  
1 1 1 -11 9  19 o 67.09412 0.5240594 2306.847   36.02992 2522.600  92.30000 2168.700   59.10000 70.12858 1.284424  65.04272 0.8867279 5.085854       1.560779  
1 1 1 -11 9  20 o 149.4881 0.8785349 11456.04   134.5749 11553.50  268.9000 11358.40   269.4000 149.9931 1.749529  148.7177 1.767814  1.275436       2.487171  
1 1 1 -11 9  21 o 71.14542 0.4731323 2593.849   34.49275 2522.400  68.00000 2667.400   70.00000 70.13871 0.9461343 72.12644 0.9471202 -1.987732      1.338733  
1 1 1 -11 9  22 o 73.99519 0.4774776 2805.894   36.20386 2905.800  74.20000 2710.700   70.70000 75.27560 0.9619474 72.70550 0.9489728 2.570099       1.351256  
1 1 1 -11 9  23 o 78.17329 0.5026980 3131.909   40.26836 3027.800  76.60000 3247.300   84.90000 76.83289 0.9729337 79.56297 1.041354  -2.730080      1.425138  
1 1 1 -11 9  24 o 54.99870 0.3937868 1550.100   22.19279 1519.000  45.20000 1580.100   43.60000 54.42661 0.8104547 55.51292 0.7664680 -1.086304      1.115487  
1 1 1 -11 9  25 o 27.37890 0.4029516 384.1527   11.30491 360.3000  27.70000 400.6000   19.10000 26.47843 1.022838  27.95306 0.6668153 -1.474634      1.220999  
1 1 1 -11 9  26 o 24.25386 0.4429787 301.4877   11.00936 330.7000  29.40000 284.0000   17.60000 25.35395 1.134501  23.52212 0.7310810 1.831831       1.349656  
1 1 1 -11 10 1  o 55.84179 0.9192381 0.000000   0.000000 ?         ?        1598.400   52.60000 ?        ?         55.84179 0.9192381 0.000000       0.9192381 
1 1 1 -11 10 2  o 137.7992 1.635938  0.000000   0.000000 ?         ?        9742.700   231.0000 ?        ?         137.7992 1.635938  0.000000       1.635938  
1 1 1 -11 10 3  o 110.5643 1.969184  0.000000   0.000000 ?         ?        6276.000   223.1000 ?        ?         110.5643 1.969184  0.000000       1.969184  
1 1 1 -11 10 4  o 57.80192 1.112615  0.000000   0.000000 ?         ?        1712.900   65.90000 ?        ?         57.80192 1.112615  0.000000       1.112615  
1 1 1 -11 10 5  o 114.8863 1.992790  0.000000   0.000000 ?         ?        6776.300   234.6000 ?        ?         114.8863 1.992790  0.000000       1.992790  
1 1 1 -11 10 6  o 130.0832 1.103554  8675.273   147.1001 9016.800  304.7000 8356.500   284.4000 132.4887 2.244375  127.5553 2.175869  4.933350       3.125959  
1 1 1 -11 10 7  o 87.36124 0.7808039 3911.503   69.89710 3888.800  138.9000 3934.500   140.7000 87.06628 1.556875  87.57559 1.567879  -0.5093079     2.209549  
1 1 1 -11 10 8  f 47.54795 0.4009509 1158.427   19.53536 1118.000  31.90000 1222.300   50.40000 46.70742 0.6665097 48.83020 1.007265  -2.122787      1.207815  
1 1 1 -11 10 9  o 64.23228 0.5928838 2114.251   39.02306 2093.300  77.50000 2135.500   78.60000 63.89535 1.183679  64.53599 1.188563  -0.6406403     1.677432  
1 1 1 -11 10 10 o 25.15360 0.4880743 324.2088   12.58011 288.0000  19.80000 387.3000   34.50000 23.69058 0.8168482 27.45539 1.229408  -3.764812      1.476037  
1 1 1 -11 10 11 o 94.94977 0.8128652 4620.791   79.08804 4429.200  146.7000 4844.900   171.6000 92.91610 1.540781  97.16247 1.723536  -4.246368      2.311835  
1 1 1 -11 10 12 o 68.21039 0.6605216 2384.397   46.16745 2246.100  78.30000 2583.100   112.5000 66.18562 1.154515  70.95568 1.547273  -4.770058      1.930534  
1 1 1 -11 10 13 o 134.1066 0.8974450 9218.930   123.3265 9063.200  287.8000 9335.700   215.8000 132.8220 2.114572  134.8867 1.561291  -2.064758      2.628506  
1 1 1 -11 10 14 o 96.57870 0.6632376 4780.290   65.63702 4461.600  147.6000 5035.500   118.2000 93.24537 1.544759  99.09403 1.164050  -5.848663      1.934242  
1 1 1 -11 10 15 o 47.75779 0.3921263 1168.700   19.18972 1155.200  43.40000 1179.400   34.40000 47.47066 0.8922080 47.97037 0.6998211 -0.4997139     1.133924  
1 1 1 -11 10 16 o 59.35635 0.4062321 1805.326   24.70813 1977.900  54.50000 1662.200   45.20000 62.11559 0.8562439 56.94576 0.7746021 5.169830       1.154626  
1 1 1 -11 10 17 o 57.35896 0.4027250 1685.882   23.67054 1616.300  46.70000 1757.400   48.00000 56.15167 0.8116258 58.55180 0.8000233 -2.400131      1.139637  
1 1 1 -11 10 18 o 20.31533 0.4059285 211.4847   8.450294 195.6000  15.70000 230.0000   18.30000 19.51779 0.7866133 21.16401 0.8455315 -1.646221      1.154852  
1 1 1 -11 10 19 o 78.26218 0.4908742 3138.879   39.36593 3216.400  83.10000 3069.100   74.80000 79.19146 1.024057  77.36285 0.9435627 1.828613       1.392481  
1 1 1 -11 10 20 o 68.56650 0.4588735 2409.319   32.24062 2327.700  65.60000 2488.200   63.40000 67.36913 0.9502646 69.65746 0.8882256 -2.288330      1.300749  
1 1 1 -11 10 21 o 44.66819 0.3539172 1022.429   16.19938 1027.100  32.20000 1017.700   32.60000 44.75981 0.7020520 44.55405 0.7140557 0.2057610      1.001375  
1 1 1 -11 10 22 o 57.66324 0.4537777 1704.089   26.81270 1710.600  65.70000 1699.600   45.30000 57.73159 1.110589  57.57170 0.7678754 0.1598854      1.350200  
1 1 1 -11 10 23 o 25.94273 0.4023518 344.9130   10.69596 389.8000  26.80000 315.1000   17.80000 27.54689 0.9508576 24.77988 0.7017137 2.767008       1.181750  
1 1 1 -11 10 24 o 22.21196 0.4438644 252.8650   10.10266 325.2000  23.90000 199.9000   17.50000 25.15802 0.9286863 19.72076 0.8681235 5.437260       1.271258  
1 1 1 -11 11 1  o 44.99867 0.7503744 0.000000   0.000000 ?         ?        1037.900   34.60000 ?        ?         44.99867 0.7503744 0.000000       0.7503744 
1 1 1 -11 11 2  o 99.63414 1.356573  0.000000   0.000000 ?         ?        5093.100   138.5000 ?        ?         99.63414 1.356573  0.000000       1.356573  
1 1 1 -11 11 3  o 77.26015 1.035762  0.000000   0.000000 ?         ?        3060.700   82.00000 ?        ?         77.26015 1.035762  0.000000       1.035762  
1 1 1 -11 11 4  o 6.772826 2.694041  0.000000   0.000000 ?         ?        12.10000   28.00000 ?        ?         6.772826 2.694041  0.000000       2.694041  
1 1 1 -11 11 5  o 83.53938 1.511627  0.000000   0.000000 ?         ?        3581.500   129.4000 ?        ?         83.53938 1.511627  0.000000       1.511627  
1 1 1 -11 11 6  o 66.31785 1.300839  0.000000   0.000000 ?         ?        2256.100   88.40000 ?        ?         66.31785 1.300839  0.000000       1.300839  
1 1 1 -11 11 7  f 126.3731 2.126723  0.000000   0.000000 ?         ?        8209.200   275.4000 ?        ?         126.3731 2.126723  0.000000       2.126723  
1 1 1 -11 11 8  o 89.30444 1.606371  0.000000   0.000000 ?         ?        4093.900   147.0000 ?        ?         89.30444 1.606371  0.000000       1.606371  
1 1 1 -11 11 9  o 40.95732 1.111367  0.000000   0.000000 ?         ?        860.9000   46.60000 ?        ?         40.95732 1.111367  0.000000       1.111367  
1 1 1 -11 11 10 o 93.07712 0.7756144 4440.745   73.97537 4429.700  145.3000 4452.200   150.7000 92.89940 1.526351  93.12914 1.579171  -0.2297440     2.196253  
1 1 1 -11 11 11 o 74.33869 0.6530678 2832.346   49.74754 2923.500  98.80000 2739.900   100.2000 75.48913 1.277245  73.07564 1.338125  2.413490       1.849847  
1 1 1 -11 11 12 o 68.15149 0.5372858 2380.258   37.52141 2313.600  60.80000 2487.700   98.00000 67.17664 0.8832567 69.62613 1.373585  -2.449493      1.633058  
1 1 1 -11 11 13 o 1.758136 0.8904219 -28.59590  8.030874 -20.50000 11.90000 -45.40000  24.70000 2.764893 1.341832  3.903562 1.903167  -1.138669      2.328639  
1 1 1 -11 11 14 o 56.54548 0.4582492 1638.514   26.55204 1685.000  44.70000 1570.500   65.40000 57.33202 0.7608725 55.33025 1.153498  2.001774       1.381841  
1 1 1 -11 11 15 o 32.74443 0.4396203 549.4506   14.75073 567.8000  24.40000 521.4000   37.30000 33.28131 0.7154693 31.85909 1.144414  1.422218       1.349659  
1 1 1 -11 11 16 o 25.41158 0.4636234 330.9302   12.07245 301.1000  18.60000 386.1000   34.40000 24.22293 0.7502600 27.40098 1.228286  -3.178053      1.439297  
1 1 1 -11 11 17 o 24.18257 0.4158166 299.6854   10.30393 332.9000  16.90000 247.8000   26.40000 25.47538 0.6479183 21.94193 1.178493  3.533449       1.344859  
1 1 1 -11 11 18 o 41.64975 0.4355481 889.0035   18.58861 860.2000  33.10000 925.9000   42.40000 40.95763 0.7886691 42.48369 0.9739694 -1.526062      1.253242  
1 1 1 -11 11 19 o 17.15561 0.6398098 151.0933   11.22778 191.8000  21.50000 106.6000   23.50000 19.30054 1.091552  14.30453 1.632416  4.996004       1.963739  
1 1 1 -11 11 20 o 50.15223 0.5140838 1289.240   26.41937 1395.900  54.70000 1189.600   51.10000 52.15268 1.023558  48.14389 1.035813  4.008793       1.456221  
1 1 1 -11 11 21 o 38.28477 0.4904208 751.2820   19.23948 824.3000  39.40000 681.6000   37.60000 40.07833 0.9593745 36.42756 1.008271  3.650772       1.391765  
1 1 1 -11 11 22 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -11 12 1  o 77.88045 1.065104  0.000000   0.000000 ?         ?        3111.900   85.00000 ?        ?         77.88045 1.065104  0.000000       1.065104  
1 1 1 -11 12 2  o 30.24555 0.8138335 0.000000   0.000000 ?         ?        469.4000   25.20000 ?        ?         30.24555 0.8138335 0.000000       0.8138335 
1 1 1 -11 12 3  o 26.75309 0.7997599 0.000000   0.000000 ?         ?        367.3000   21.90000 ?        ?         26.75309 0.7997599 0.000000       0.7997599 
1 1 1 -11 12 4  o 110.3590 1.424589  0.000000   0.000000 ?         ?        6254.200   161.1000 ?        ?         110.3590 1.424589  0.000000       1.424589  
1 1 1 -11 12 5  o 19.84031 1.390977  0.000000   0.000000 ?         ?        203.1000   28.10000 ?        ?         19.84031 1.390977  0.000000       1.390977  
1 1 1 -11 12 6  o 57.62084 1.219423  0.000000   0.000000 ?         ?        1703.900   72.00000 ?        ?         57.62084 1.219423  0.000000       1.219423  
1 1 1 -11 12 7  o 96.51738 1.706745  0.000000   0.000000 ?         ?        4788.500   168.8000 ?        ?         96.51738 1.706745  0.000000       1.706745  
1 1 1 -11 12 8  o 50.33841 0.5852785 1298.787   30.18981 1097.400  55.50000 1539.000   66.20000 46.22928 1.172541  54.76318 1.179698  -8.533894      1.663292  
1 1 1 -11 12 9  o 78.55921 0.7088838 3163.884   57.06510 2836.600  108.4000 3527.700   120.5000 74.31824 1.423428  82.87919 1.418872  -8.560951      2.009812  
1 1 1 -11 12 10 o 48.82589 0.6201900 1222.006   31.02939 1234.900  58.80000 1207.600   65.70000 49.05325 1.169799  48.47867 1.323802  0.5745773      1.766602  
1 1 1 -11 12 11 o 32.67899 0.5528468 547.3622   18.51278 498.7000  39.30000 590.7000   35.00000 31.14411 1.233896  33.91776 1.008149  -2.773643      1.593382  
1 1 1 -11 12 12 o 53.15908 0.4364516 1448.217   23.77453 1372.400  38.60000 1569.800   61.90000 51.73715 0.7280923 55.30856 1.092194  -3.571407      1.312634  
1 1 1 -11 12 13 o 51.84771 0.4526795 1377.692   24.05020 1392.000  40.60000 1356.900   59.00000 52.10262 0.7604456 51.41720 1.119812  0.6854172      1.353609  
1 1 1 -11 12 14 o 16.00075 0.5168108 131.3633   8.462532 119.8000  12.50000 155.6000   26.20000 15.26299 0.8020453 17.33510 1.489370  -2.072115      1.691597  
1 1 1 -11 12 15 f 28.17754 0.4349345 406.9163   12.55814 365.6000  21.60000 464.3000   30.00000 26.68784 0.7907171 30.06494 0.9750734 -3.377100      1.255389  
1 1 1 -11 12 16 o 33.80119 0.4333890 585.5578   15.01095 527.6000  25.40000 669.3000   36.70000 32.07373 0.7728333 36.09956 0.9930669 -4.025829      1.258353  
1 1 1 -11 12 17 o 50.40906 0.4938920 1302.492   25.51167 1227.100  47.00000 1392.000   55.80000 48.90060 0.9379622 52.07279 1.045743  -3.172195      1.404760  
1 1 1 -11 12 18 o 32.90774 0.4846434 555.0814   16.34251 584.6000  33.40000 526.8000   32.00000 33.73537 0.9671885 32.02200 0.9763618 1.713367       1.374313  
1 1 1 -11 13 1  o 54.53306 1.240152  0.000000   0.000000 ?         ?        1528.000   69.30000 ?        ?         54.53306 1.240152  0.000000       1.240152  
1 1 1 -11 13 2  o 12.63334 1.720968  0.000000   0.000000 ?         ?        83.70000   21.70000 ?        ?         12.63334 1.720968  0.000000       1.720968  
1 1 1 -11 13 3  o 45.06982 1.054496  0.000000   0.000000 ?         ?        1042.800   48.70000 ?        ?         45.06982 1.054496  0.000000       1.054496  
1 1 1 -11 13 4  o 13.02977 1.881955  0.000000   0.000000 ?         ?        89.30000   24.40000 ?        ?         13.02977 1.881955  0.000000       1.881955  
1 1 1 -11 13 5  o 32.27430 1.056711  0.000000   0.000000 ?         ?        535.3000   34.90000 ?        ?         32.27430 1.056711  0.000000       1.056711  
1 1 1 -11 13 6  o 90.18860 1.647972  0.000000   0.000000 ?         ?        4187.400   152.3000 ?        ?         90.18860 1.647972  0.000000       1.647972  
1 1 1 -11 13 7  o 64.85468 1.390376  0.000000   0.000000 ?         ?        2162.400   92.40000 ?        ?         64.85468 1.390376  0.000000       1.390376  
1 1 1 -11 13 8  o 8.883875 2.534285  0.000000   0.000000 ?         ?        41.90000   24.20000 ?        ?         8.883875 2.534285  0.000000       2.534285  
1 1 1 -11 13 9  o 55.62748 1.143826  0.000000   0.000000 ?         ?        1589.200   65.20000 ?        ?         55.62748 1.143826  0.000000       1.143826  
1 1 1 -11 13 10 o 40.30326 0.9370709 0.000000   0.000000 ?         ?        833.6000   38.70000 ?        ?         40.30326 0.9370709 0.000000       0.9370709 
1 1 1 -11 13 11 o 33.45767 0.9869556 0.000000   0.000000 ?         ?        575.1000   33.80000 ?        ?         33.45767 0.9869556 0.000000       0.9869556 
1 1 1 -11 13 12 o 49.72649 1.134336  0.000000   0.000000 ?         ?        1270.100   57.80000 ?        ?         49.72649 1.134336  0.000000       1.134336  
1 1 1 -11 13 13 o 27.81522 1.036817  0.000000   0.000000 ?         ?        397.8000   29.50000 ?        ?         27.81522 1.036817  0.000000       1.036817  
1 1 1 -10 0  1  o 49.62320 0.7732986 1262.600   39.30000 1262.600  39.30000 1262.600   39.30000 49.62320 0.7732986 49.62320 0.7732986 0.000000       0.000000  
1 1 1 -10 0  2  o 220.5195 2.536522  24932.10   573.0000 24932.10  573.0000 24932.10   573.0000 220.5195 2.536522  220.5195 2.536522  0.000000       0.000000  
1 1 1 -10 0  3  o 55.73268 0.7760419 1592.400   44.30000 1592.400  44.30000 1592.400   44.30000 55.73268 0.7760419 55.73268 0.7760419 -0.000000      0.000000  
1 1 1 -10 0  4  o 216.2179 2.466428  23968.20   546.3000 23968.20  546.3000 23968.20   546.3000 216.2179 2.466428  216.2179 2.466428  -0.000000      0.000000  
1 1 1 -10 0  5  o 143.4342 1.704883  10546.60   250.5000 10546.60  250.5000 10546.60   250.5000 143.4342 1.704883  143.4342 1.704883  0.000000       0.000000  
1 1 1 -10 0  6  o 126.1349 1.555647  8156.100   201.0000 8156.100  201.0000 8156.100   201.0000 126.1349 1.555647  126.1349 1.555647  0.000000       0.000000  
1 1 1 -10 0  7  o 192.8777 2.248180  19072.40   444.2000 19072.40  444.2000 19072.40   444.2000 192.8777 2.248180  192.8777 2.248180  0.000000       0.000000  
1 1 1 -10 0  8  o 224.4034 2.628809  25819.00   604.3000 25819.00  604.3000 25819.00   604.3000 224.4034 2.628809  224.4034 2.628809  0.000000       0.000000  
1 1 1 -10 0  9  o 72.42062 1.054274  2689.000   78.20000 2689.000  78.20000 2689.000   78.20000 72.42062 1.054274  72.42062 1.054274  0.000000       0.000000  
1 1 1 -10 0  10 o 51.97212 0.8229070 1385.000   43.80000 1385.000  43.80000 1385.000   43.80000 51.97212 0.8229070 51.97212 0.8229070 0.000000       0.000000  
1 1 1 -10 0  11 o 220.8516 2.574720  25008.90   582.5000 25008.90  582.5000 25008.90   582.5000 220.8516 2.574720  220.8516 2.574720  -0.000000      0.000000  
1 1 1 -10 0  12 o 148.0178 1.739134  11231.80   263.7000 11231.80  263.7000 11231.80   263.7000 148.0178 1.739134  148.0178 1.739134  -0.000000      0.000000  
1 1 1 -10 0  13 o 31.71444 0.7023613 516.1000   22.80000 516.1000  22.80000 516.1000   22.80000 31.71444 0.7023613 31.71444 0.7023613 -0.000000      0.000000  
1 1 1 -10 0  14 o 65.06906 0.9152728 2170.700   61.00000 2170.700  61.00000 2170.700   61.00000 65.06906 0.9152728 65.06906 0.9152728 0.000000       0.000000  
1 1 1 -10 0  15 f 87.05364 1.197764  3885.400   106.8000 3885.400  106.8000 3885.400   106.8000 87.05364 1.197764  87.05364 1.197764  0.000000       0.000000  
1 1 1 -10 0  16 o 213.7919 2.492622  23440.00   545.9000 23440.00  545.9000 23440.00   545.9000 213.7919 2.492622  213.7919 2.492622  0.000000       0.000000  
1 1 1 -10 0  17 o 91.10636 1.259151  4255.800   117.5000 4255.800  117.5000 4255.800   117.5000 91.10636 1.259151  91.10636 1.259151  -0.000000      0.000000  
1 1 1 -10 0  18 o 191.2540 2.269845  18759.30   444.7000 18759.30  444.7000 18759.30   444.7000 191.2540 2.269845  191.2540 2.269845  -0.000000      0.000000  
1 1 1 -10 0  19 o 43.33741 0.8993606 963.6000   39.90000 963.6000  39.90000 963.6000   39.90000 43.33741 0.8993606 43.33741 0.8993606 -0.000000      0.000000  
1 1 1 -10 0  20 o 234.6748 2.731711  28254.20   656.7000 28254.20  656.7000 28254.20   656.7000 234.6748 2.731711  234.6748 2.731711  0.000000       0.000000  
1 1 1 -10 0  21 o 164.7493 2.791774  13932.60   471.0000 13932.60  471.0000 13932.60   471.0000 164.7493 2.791774  164.7493 2.791774  -0.000000      0.000000  
1 1 1 -10 0  22 o 187.5374 3.125229  18058.80   600.2000 18058.80  600.2000 18058.80   600.2000 187.5374 3.125229  187.5374 3.125229  0.000000       0.000000  
1 1 1 -10 0  23 o 179.3311 3.031427  16512.90   556.7000 16512.90  556.7000 16512.90   556.7000 179.3311 3.031427  179.3311 3.031427  -0.000000      0.000000  
1 1 1 -10 0  24 o 23.49449 1.178136  285.0000   28.20000 285.0000  28.20000 285.0000   28.20000 23.49449 1.178136  23.49449 1.178136  -0.000000      0.000000  
1 1 1 -10 0  25 o 134.6830 2.330387  9310.200   321.4000 9310.200  321.4000 9310.200   321.4000 134.6830 2.330387  134.6830 2.330387  0.000000       0.000000  
1 1 1 -10 0  26 o 134.7099 2.300158  9314.200   317.3000 9314.200  317.3000 9314.200   317.3000 134.7099 2.300158  134.7099 2.300158  0.000000       0.000000  
1 1 1 -10 0  27 o 54.52361 1.227453  1525.900   68.50000 1525.900  68.50000 1525.900   68.50000 54.52361 1.227453  54.52361 1.227453  0.000000       0.000000  
1 1 1 -10 0  28 o 21.09027 1.283485  230.5000   27.50000 230.5000  27.50000 230.5000   27.50000 21.09027 1.283485  21.09027 1.283485  -0.000000      0.000000  
1 1 1 -10 0  29 f 75.89445 1.619268  2957.200   125.8000 2957.200  125.8000 2957.200   125.8000 75.89445 1.619268  75.89445 1.619268  0.000000       0.000000  
1 1 1 -10 0  30 o 120.4354 2.412837  7454.000   297.5000 7454.000  297.5000 7454.000   297.5000 120.4354 2.412837  120.4354 2.412837  0.000000       0.000000  
1 1 1 -10 0  31 o 43.57251 1.204799  975.5000   53.70000 975.5000  53.70000 975.5000   53.70000 43.57251 1.204799  43.57251 1.204799  0.000000       0.000000  
1 1 1 -10 0  32 o 101.1222 1.456960  5247.800   150.9000 5247.800  150.9000 5247.800   150.9000 101.1222 1.456960  101.1222 1.456960  0.000000       0.000000  
1 1 1 -10 0  33 o 85.87544 1.693591  3789.200   148.9000 3789.200  148.9000 3789.200   148.9000 85.87544 1.693591  85.87544 1.693591  -0.000000      0.000000  
1 1 1 -10 0  34 o 46.17150 1.117472  1095.100   52.80000 1095.100  52.80000 1095.100   52.80000 46.17150 1.117472  46.17150 1.117472  0.000000       0.000000  
1 1 1 -10 1  1  o 285.9193 1.605335  41894.77   470.3351 42946.80  955.6000 40875.10   926.2000 289.3816 3.222604  282.3174 3.201613  7.064178       4.542631  
1 1 1 -10 1  2  o 148.8073 0.8823150 11346.12   134.5384 11433.40  266.6000 11257.20   271.6000 149.3633 1.741878  148.2068 1.788394  1.156479       2.496496  
1 1 1 -10 1  3  o 90.78743 0.6129702 4223.128   57.02476 4143.000  111.7000 4306.700   116.5000 89.91765 1.212299  91.67659 1.240135  -1.758942      1.734245  
1 1 1 -10 1  4  o 140.1944 0.8752198 10070.69   125.7321 10071.80  254.5000 10069.60   248.5000 140.1875 1.771659  140.1731 1.730068  0.1441956E-01  2.476270  
1 1 1 -10 1  5  o 115.8589 0.7286876 6877.767   86.51057 6475.100  163.2000 7332.000   184.1000 112.4089 1.416841  119.6146 1.502005  -7.205627      2.064814  
1 1 1 -10 1  6  o 71.48219 0.4875769 2618.021   35.71407 2557.400  70.20000 2680.800   72.70000 70.64755 0.9697094 72.33186 0.9808586 -1.684303      1.379282  
1 1 1 -10 1  7  o 133.3579 0.8048598 9112.365   109.9860 8761.400  211.8000 9491.500   228.8000 130.7538 1.580787  136.0916 1.640690  -5.337784      2.278322  
1 1 1 -10 1  8  o 136.0918 0.8404163 9489.867   117.1992 9379.700  233.8000 9600.600   235.0000 135.2865 1.686521  136.8705 1.675559  -1.584000      2.377363  
1 1 1 -10 1  9  o 212.3290 1.227769  23101.93   267.1311 23613.00  550.0000 22619.30   519.4000 214.6170 2.500922  210.0569 2.413052  4.560135       3.475260  
1 1 1 -10 1  10 o 258.0657 1.483306  34129.00   392.2469 34202.80  786.7000 34055.60   782.3000 258.2598 2.972720  257.7042 2.962466  0.5555725      4.196816  
1 1 1 -10 1  11 o 63.51551 0.4574180 2066.986   29.77086 1803.100  53.20000 2402.300   67.60000 59.32095 0.8751957 68.47121 0.9634746 -9.150265      1.301634  
1 1 1 -10 1  12 o 248.8801 1.423045  31743.13   362.9168 31614.00  722.4000 31873.50   729.3000 248.2870 2.839392  249.3027 2.854834  -1.015671      4.026441  
1 1 1 -10 1  13 o 107.1680 0.6745254 5884.691   74.07333 6333.100  157.3000 5485.600   140.0000 111.1659 1.380889  103.4618 1.320534  7.704109       1.910672  
1 1 1 -10 1  14 o 141.2472 0.8622208 10222.88   124.7949 10196.00  248.0000 10250.10   251.2000 141.0398 1.715978  141.4129 1.733534  -0.3730927     2.439205  
1 1 1 -10 1  15 o 115.1681 0.7334192 6796.247   86.55315 6959.500  175.9000 6638.100   170.4000 116.5284 1.473112  113.8062 1.461186  2.722237       2.074879  
1 1 1 -10 1  16 o 133.8233 0.9568643 9177.008   131.2140 8956.300  218.0000 9510.700   329.6000 132.1849 1.609446  136.1790 2.361993  -3.994171      2.858203  
1 1 1 -10 1  17 o 211.3375 1.428433  22892.72   309.3391 22497.70  518.7000 23476.40   766.4000 209.4272 2.417045  213.7984 3.498264  -4.371231      4.252053  
1 1 1 -10 1  18 f 103.9365 0.8175281 5535.655   87.07011 5654.200  146.1000 5360.800   215.5000 105.0298 1.357499  102.2413 2.056945  2.788490       2.464513  
1 1 1 -10 1  19 o 116.1086 0.8543601 6908.342   101.6491 6606.600  166.9000 7378.400   260.0000 113.5263 1.434702  119.9392 2.115504  -6.412926      2.556116  
1 1 1 -10 1  20 o 116.4589 0.8571678 6950.158   102.2909 6759.600  172.7000 7227.000   250.9000 114.8307 1.467695  118.7030 2.062722  -3.872223      2.531590  
1 1 1 -10 1  21 f 18.58772 0.5541975 177.1911   10.54396 189.9000  17.60000 158.2000   26.30000 19.22923 0.8956684 17.50448 1.480109  1.724749       1.730013  
1 1 1 -10 1  22 o 120.9524 0.8985850 7497.121   111.3709 7627.800  194.1000 7321.200   261.3000 121.9748 1.552948  119.4628 2.134561  2.512062       2.639697  
1 1 1 -10 1  23 o 216.2242 1.481403  23969.16   328.2283 23636.30  552.5000 24456.30   808.6000 214.5899 2.512607  218.0671 3.618638  -3.477188      4.405421  
1 1 1 -10 1  24 o 126.5550 0.9230294 8208.029   119.6997 8113.600  206.8000 8337.800   284.2000 125.7921 1.604348  127.4766 2.175681  -1.684494      2.703243  
1 1 1 -10 1  25 o 54.79702 0.6627869 1538.664   37.21596 1372.900  67.60000 1741.700   82.80000 51.75134 1.274755  58.28651 1.386322  -6.535172      1.883318  
1 1 1 -10 1  26 o 25.42804 0.6294551 331.3257   16.40122 308.8000  34.10000 352.2000   31.60000 24.50429 1.363420  26.18564 1.180713  -1.681351      1.803606  
1 1 1 -10 1  27 o 43.26590 0.5529938 959.2092   24.51684 831.4000  44.30000 1117.600   54.90000 40.25923 1.074802  46.69216 1.147440  -6.432934      1.572202  
1 1 1 -10 1  28 o 86.04363 0.6813089 3794.010   60.07048 3747.700  142.4000 3827.800   103.9000 85.47408 1.625837  86.40781 1.173449  -0.9337234     2.005076  
1 1 1 -10 1  29 o 45.37773 0.4508767 1055.119   20.96520 936.2000  50.20000 1140.400   36.00000 42.71589 1.147915  47.17147 0.7447742 -4.455585      1.368356  
1 1 1 -10 1  30 o 85.40171 0.6922793 3737.959   60.58237 3686.100  150.5000 3772.900   101.4000 84.73888 1.733227  85.77659 1.153641  -1.037704      2.082057  
1 1 1 -10 1  31 o 112.4784 0.8359550 6485.496   96.34972 6741.800  246.2000 6320.700   158.3000 114.5144 2.098117  110.9866 1.391912  3.527710       2.517839  
1 1 1 -10 1  32 o 69.83185 0.5976752 2499.359   42.76782 2528.200  101.9000 2478.500   73.70000 70.17643 1.417048  69.51536 1.034638  0.6610718      1.754566  
1 1 1 -10 1  33 o 11.06112 1.996814  0.000000   0.000000 ?         ?        64.90000   21.80000 ?        ?         11.06112 1.996814  0.000000       1.996814  
1 1 1 -10 1  34 o 38.49932 1.004650  0.000000   0.000000 ?         ?        761.0000   39.60000 ?        ?         38.49932 1.004650  0.000000       1.004650  
1 1 1 -10 2  1  o 250.1954 1.416941  32078.63   363.2701 31764.60  720.0000 32398.40   733.2000 248.8925 2.823075  251.3616 2.846592  -2.469101      4.009094  
1 1 1 -10 2  2  f 115.8420 0.7036645 6875.771   83.52761 6487.000  156.3000 7322.000   179.4000 112.5120 1.355694  119.5323 1.464666  -7.020294      1.995784  
1 1 1 -10 2  3  o 54.09855 0.3852571 1499.498   21.35673 1479.500  41.50000 1520.700   44.00000 53.73554 0.7536818 54.47846 0.7881874 -0.7429199     1.090539  
1 1 1 -10 2  4  o 151.3418 0.9148435 11735.99   141.8744 11771.40  274.8000 11698.20   293.3000 151.5537 1.769505  151.0785 1.894571  0.4751587      2.592402  
1 1 1 -10 2  5  o 282.4956 1.578503  40897.06   456.9361 41557.50  926.8000 40254.80   901.3000 284.6672 3.177241  280.1730 3.139385  4.494171       4.466610  
1 1 1 -10 2  6  o 134.2878 0.8106586 9239.918   111.5509 8464.700  206.0000 10155.50   243.3000 128.5204 1.564216  140.7696 1.686688  -12.24921      2.300367  
1 1 1 -10 2  7  o 138.4501 0.8521495 9821.653   120.8947 10110.40  243.4000 9536.700   240.2000 140.4563 1.691146  136.4125 1.718385  4.043793       2.410979  
1 1 1 -10 2  8  o 305.0986 1.723869  47706.21   538.9431 47392.20  1059.800 48031.10   1096.600 303.9651 3.402529  305.9974 3.497294  -2.032318      4.879372  
1 1 1 -10 2  9  o 310.8412 1.749365  49520.08   557.2081 49785.90  1108.300 49251.30   1120.600 311.5314 3.471819  309.8479 3.529422  1.683502       4.950793  
1 1 1 -10 2  10 o 74.85534 0.5293005 2870.960   40.59976 2492.100  70.90000 3378.600   95.00000 69.73895 0.9921389 81.19954 1.141752  -11.46059      1.512593  
1 1 1 -10 2  11 o 114.6285 0.7199405 6732.556   84.56444 6666.900  161.1000 6805.100   178.0000 114.0591 1.378374  115.2327 1.507460  -1.173622      2.042634  
1 1 1 -10 2  12 o 22.69375 0.4286384 263.8706   9.967719 273.1000  16.90000 250.6000   24.30000 23.07565 0.7155822 22.08815 1.076860  0.9874992      1.292937  
1 1 1 -10 2  13 o 318.0843 2.088631  51869.55   680.7730 51442.70  1151.700 52486.60   1664.900 316.5940 3.550081  319.5003 5.085323  -2.906281      6.201902  
1 1 1 -10 2  14 o 112.7281 0.8123168 6511.426   93.83311 6552.400  166.2000 6458.300   215.5000 113.0703 1.434445  112.2432 1.873652  0.8271484      2.359704  
1 1 1 -10 2  15 o 121.3162 0.8721263 7541.570   108.4168 7453.800  185.2000 7665.500   261.5000 120.5932 1.498718  122.2720 2.087114  -1.678856      2.569475  
1 1 1 -10 2  16 o 121.3880 0.8605666 7550.593   107.0431 7070.700  173.6000 8322.400   279.2000 117.4523 1.442414  127.3949 2.138775  -9.942612      2.579712  
1 1 1 -10 2  17 o 80.44431 0.6243941 3315.851   51.46980 3333.200  87.40000 3291.000   125.2000 80.64822 1.057592  80.12579 1.524873  0.5224380      1.855731  
1 1 1 -10 2  18 o 55.82812 0.5669885 1597.009   32.43587 1674.300  52.30000 1470.800   85.40000 57.15993 0.8929182 53.54081 1.558249  3.619114       1.795952  
1 1 1 -10 2  19 f 201.5475 1.373669  20822.23   283.6989 21271.00  497.3000 20226.20   660.5000 203.6116 2.383514  198.4277 3.248419  5.183823       4.029065  
1 1 1 -10 2  20 o 79.06709 0.6411766 3203.362   51.94835 2938.700  83.20000 3643.300   138.3000 75.72318 1.072250  84.29837 1.601049  -8.575195      1.926935  
1 1 1 -10 2  21 o 38.26656 0.4724003 750.2977   18.52371 750.6000  32.60000 749.9000   42.90000 38.27183 0.8312660 38.23563 1.096072  0.3619766E-01  1.375637  
1 1 1 -10 2  22 o 81.15899 0.6518975 3375.154   54.21436 3442.400  93.10000 3281.400   129.8000 81.95421 1.108613  80.00036 1.583377  1.953850       1.932901  
1 1 1 -10 2  23 o 53.03644 0.5001318 1441.282   27.18049 1423.800  47.30000 1464.900   63.90000 52.70978 0.8757327 53.46046 1.166460  -0.7506866     1.458608  
1 1 1 -10 2  24 o 31.70731 0.3806002 515.1180   12.36593 604.1000  26.10000 435.0000   23.50000 34.33469 0.7418379 29.12458 0.7881505 5.210106       1.082361  
1 1 1 -10 2  25 o 98.10098 0.6267622 4931.417   63.00492 4888.300  123.8000 4976.100   128.3000 97.65276 1.237194  98.52445 1.270821  -0.8716965     1.773593  
1 1 1 -10 2  26 o 24.44310 0.4233911 306.1326   10.60465 380.7000  24.00000 247.1000   19.00000 27.24154 0.8608486 21.94180 0.8466398 5.299738       1.207418  
1 1 1 -10 2  27 o 29.35076 0.4070768 441.4053   12.24318 464.0000  25.80000 421.0000   23.30000 30.07752 0.8379202 28.65050 0.7944102 1.427023       1.154642  
1 1 1 -10 2  28 o 88.75557 0.6015414 4036.776   54.70909 3744.500  102.0000 4374.900   118.0000 85.46178 1.164742  92.37162 1.246652  -6.909843      1.706097  
1 1 1 -10 2  29 o 67.21080 0.4827320 2314.750   33.24632 2386.700  67.20000 2244.300   65.80000 68.23395 0.9611040 66.16676 0.9704825 2.067192       1.365854  
1 1 1 -10 2  30 o 30.23431 0.3827747 468.3941   11.85882 537.8000  25.20000 406.7000   22.40000 32.39228 0.7592078 28.15782 0.7770805 4.234457       1.086393  
1 1 1 -10 2  31 o 109.4831 0.8408447 6144.944   94.33250 5947.400  222.8000 6290.000   163.6000 107.5581 2.021500  110.7047 1.442178  -3.146622      2.483212  
1 1 1 -10 2  32 o 82.98355 1.178358  0.000000   0.000000 ?         ?        3533.300   100.2000 ?        ?         82.98355 1.178358  0.000000       1.178358  
1 1 1 -10 2  33 o 27.97361 1.027398  0.000000   0.000000 ?         ?        402.0000   29.40000 ?        ?         27.97361 1.027398  0.000000       1.027398  
1 1 1 -10 2  34 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -10 3  1  o 156.6997 0.9224275 12581.97   148.1150 13032.30  303.5000 12152.70   289.3000 159.4549 1.857472  153.9806 1.833513  5.474304       2.609975  
1 1 1 -10 3  2  o 122.3950 0.7163508 7675.752   89.84374 7699.800  178.2000 7651.300   181.2000 122.5762 1.418741  122.1890 1.447197  0.3872299      2.026624  
1 1 1 -10 3  3  o 238.8255 1.344100  29229.13   328.9355 28607.30  644.6000 29877.10   671.7000 236.2031 2.663216  241.3847 2.715610  -5.181564      3.803584  
1 1 1 -10 3  4  o 208.2380 1.190442  22220.52   254.0191 22621.80  510.5000 21823.10   505.6000 210.0623 2.371643  206.3196 2.391488  3.742661       3.368071  
1 1 1 -10 3  5  o 219.9928 1.253800  24800.38   282.6411 24674.50  554.4000 24931.30   576.6000 219.3810 2.466186  220.5146 2.551755  -1.133591      3.548736  
1 1 1 -10 3  6  o 46.36278 0.3844575 1101.322   18.26485 1102.300  34.20000 1100.200   39.20000 46.38244 0.7195718 46.33783 0.8255664 0.4461288E-01  1.095145  
1 1 1 -10 3  7  o 147.7545 0.8683547 11186.28   131.4729 11442.30  264.0000 10932.30   261.9000 149.4175 1.724265  146.0490 1.750002  3.368546       2.456745  
1 1 1 -10 3  8  o 162.9260 1.146803  13602.34   191.4597 13671.20  336.9000 13511.70   443.5000 163.3125 2.013183  162.3289 2.666240  0.9835510      3.340919  
1 1 1 -10 3  9  o 112.8292 0.8096986 6522.965   93.61452 6393.400  161.4000 6701.900   222.9000 111.6942 1.410180  114.3462 1.902348  -2.651985      2.368024  
1 1 1 -10 3  10 o 128.8921 0.9135288 8512.682   120.6554 8461.300  207.7000 8583.900   287.9000 128.4892 1.577508  129.3986 2.171269  -0.9094543     2.683830  
1 1 1 -10 3  11 o 217.0027 1.482046  24133.83   329.5529 24719.60  564.3000 23311.50   792.2000 219.5602 2.508176  213.1173 3.627586  6.442947       4.410253  
1 1 1 -10 3  12 o 35.83708 1.139719  0.000000   0.000000 ?         ?        658.8000   41.80000 ?        ?         35.83708 1.139719  0.000000       1.139719  
1 1 1 -10 3  13 f 105.2407 0.7788119 5675.150   83.98753 5599.900  137.3000 5793.700   216.3000 104.5322 1.281805  106.3065 1.985630  -1.774284      2.363420  
1 1 1 -10 3  14 o 112.0004 0.8249465 6427.750   94.67686 6260.100  165.3000 6652.500   221.6000 110.5164 1.459647  113.9130 1.898446  -3.396599      2.394717  
1 1 1 -10 3  15 o 116.8262 0.8386588 6993.715   100.3978 7262.200  175.9000 6636.700   233.9000 119.0318 1.442130  113.7690 2.006356  5.262825       2.470871  
1 1 1 -10 3  16 o 147.4977 1.029819  11149.04   155.6485 11119.70  266.6000 11190.20   374.0000 147.2711 1.766624  147.6901 2.471279  -0.4190216     3.037792  
1 1 1 -10 3  17 o 53.84999 0.5061217 1485.819   27.92794 1416.500  46.60000 1589.500   69.70000 52.57580 0.8649712 55.68906 1.221419  -3.113258      1.496676  
1 1 1 -10 3  18 o 38.68348 0.4421918 766.7271   17.52809 788.9000  31.20000 738.3000   40.00000 39.23684 0.7760007 37.94153 1.029790  1.295311       1.289435  
1 1 1 -10 3  19 o 97.31129 0.7493926 4852.415   74.72586 5136.400  134.4000 4496.800   168.3000 100.1034 1.310244  93.64719 1.753844  6.456192       2.189225  
1 1 1 -10 3  20 f 138.0072 0.8372396 9760.096   118.3995 9758.600  236.3000 9761.600   237.3000 137.9575 1.671553  137.9782 1.678374  -0.2076721E-01 2.368761  
1 1 1 -10 3  21 o 75.83276 0.5449407 2946.582   42.34522 2930.900  83.80000 2962.600   85.60000 75.62138 1.081437  76.02884 1.098745  -0.4074554     1.541670  
1 1 1 -10 3  22 o 150.8809 0.9285761 11666.67   143.5655 11883.00  297.8000 11465.30   277.2000 152.2111 1.909325  149.5202 1.809235  2.690948       2.630371  
1 1 1 -10 3  23 o 130.3402 0.8037825 8705.856   107.3533 8543.900  209.3000 8876.400   220.4000 129.0854 1.582317  131.5699 1.634770  -2.484421      2.275127  
1 1 1 -10 3  24 o 15.80390 0.5791906 128.1525   9.363733 114.3000  18.10000 143.0000   19.40000 14.88473 1.196774  16.66379 1.143057  -1.779064      1.654947  
1 1 1 -10 3  25 o 78.32869 0.5510536 3143.812   44.22961 3171.800  90.40000 3117.000   86.60000 78.66336 1.121495  77.98200 1.083740  0.6813583      1.559566  
1 1 1 -10 3  26 o 13.26874 0.6780947 90.45637   9.189159 89.80000  17.30000 91.20000   19.60000 13.17080 1.298726  13.25532 1.467557  -0.8452129E-01 1.959697  
1 1 1 -10 3  27 o 76.57236 0.5462014 3004.494   42.85714 3022.300  87.50000 2987.400   84.00000 76.78255 1.112109  76.33939 1.073822  0.4431610      1.545923  
1 1 1 -10 3  28 o 122.3143 0.7854213 7667.666   98.44153 7650.200  201.8000 7684.300   192.2000 122.1115 1.612746  122.3915 1.532512  -0.2799072     2.224757  
1 1 1 -10 3  29 o 22.76538 0.4253263 265.5625   9.921915 238.4000  19.50000 293.7000   20.20000 21.54757 0.8850408 23.92316 0.8252497 -2.375587      1.210097  
1 1 1 -10 3  30 o 14.80088 0.5895966 112.4460   8.924233 116.7000  16.60000 107.5000   19.30000 15.04668 1.083899  14.41550 1.321239  0.6311846      1.708950  
1 1 1 -10 3  31 o 74.35992 0.5456418 2833.785   41.57622 3029.100  86.10000 2651.400   80.40000 76.84761 1.093388  71.89722 1.091304  4.950386       1.544811  
1 1 1 -10 3  32 o 68.10419 0.6781219 2377.624   47.32384 2425.000  98.60000 2333.900   91.00000 68.72076 1.400202  67.42622 1.317086  1.294533       1.922311  
1 1 1 -10 3  33 o 22.66977 0.5876631 263.6068   13.63979 223.8000  23.20000 320.4000   33.10000 20.85497 1.089403  24.94501 1.299409  -4.090038      1.695659  
1 1 1 -10 4  1  o 163.6090 0.9392254 13716.33   157.4619 13965.80  319.9000 13474.50   310.1000 165.0583 1.891378  162.1301 1.866550  2.928192       2.657315  
1 1 1 -10 4  2  o 134.9145 0.7870362 9326.591   108.8057 10289.30  233.3000 8485.200   203.9000 141.6875 1.606886  128.6694 1.546477  13.01808       2.230174  
1 1 1 -10 4  3  o 182.2633 1.047299  17022.79   195.5998 17183.60  391.6000 16862.30   390.8000 183.0821 2.087365  181.3616 2.102862  1.720520       2.962958  
1 1 1 -10 4  4  o 248.2869 1.406025  31592.87   357.7216 32888.60  735.0000 30364.30   696.9000 253.2263 2.832566  243.3177 2.795106  9.908554       3.979454  
1 1 1 -10 4  5  o 139.0297 0.9496477 9904.559   135.2909 9986.100  235.8000 9794.800   317.4000 139.5842 1.648576  138.2199 2.240980  1.364319       2.782049  
1 1 1 -10 4  6  o 196.5138 1.296623  19790.24   261.0991 19631.90  445.2000 20014.80   631.4000 195.6842 2.220246  197.5207 3.119562  -1.836517      3.828990  
1 1 1 -10 4  7  o 149.2664 1.027251  11417.05   157.1220 11742.30  270.9000 10967.90   374.1000 151.3573 1.746656  146.2499 2.496282  5.107361       3.046676  
1 1 1 -10 4  8  o 162.8745 1.095490  13593.99   182.8353 12729.90  298.6000 14958.70   471.6000 157.5889 1.849123  170.7830 2.694826  -13.19411      3.268233  
1 1 1 -10 4  9  o 96.08430 0.6980779 4730.464   68.73132 4681.700  117.0000 4799.900   166.6000 95.58131 1.194578  96.77066 1.680092  -1.189346      2.061486  
1 1 1 -10 4  10 o 118.7738 0.8428789 7228.642   102.5851 7342.100  179.9000 7078.100   238.7000 119.6893 1.466822  117.5019 1.982481  2.187347       2.466130  
1 1 1 -10 4  11 o 39.73785 0.3851158 809.0728   15.68173 787.5000  26.80000 839.5000   37.80000 39.20356 0.6671306 40.47595 0.9113734 -1.272392      1.129453  
1 1 1 -10 4  12 o 103.5819 0.7602428 5497.688   80.69278 4970.600  127.4000 6408.300   220.1000 98.48275 1.262440  111.8016 1.921204  -13.31889      2.298865  
1 1 1 -10 4  13 o 137.8886 0.9801121 9743.246   138.4849 9670.700  238.0000 9844.200   331.2000 137.3497 1.691029  138.5425 2.332969  -1.192856      2.881375  
1 1 1 -10 4  14 o 161.5980 1.116755  13382.97   184.9236 13907.40  328.2000 12706.10   423.6000 164.6906 1.944784  157.3664 2.626912  7.324203       3.268463  
1 1 1 -10 4  15 o 62.30157 0.4979398 1988.798   31.78881 1993.500  55.90000 1982.600   73.70000 62.37152 0.8746355 62.19675 1.156382  0.1747742      1.449899  
1 1 1 -10 4  16 o 135.1701 0.9409522 9363.176   130.3306 9603.700  227.3000 9039.900   305.5000 136.8661 1.620709  132.7488 2.245857  4.117325       2.769580  
1 1 1 -10 4  17 o 176.6737 1.030155  15996.67   186.4974 16192.30  374.4000 15802.50   371.6000 177.6789 2.056371  175.5264 2.066022  2.152573       2.914980  
1 1 1 -10 4  18 o 160.3768 0.9618230 13181.28   158.0648 13200.90  308.0000 13160.60   324.7000 160.4415 1.873422  160.1879 1.978127  0.2535706      2.724463  
1 1 1 -10 4  19 o 94.26617 0.6275826 4553.310   60.62128 4649.500  120.3000 4455.600   122.2000 95.24190 1.232648  93.23330 1.279092  2.008598       1.776372  
1 1 1 -10 4  20 o 44.16766 0.3735178 999.5270   16.90495 880.4000  30.20000 1151.000   38.40000 41.44999 0.7110237 47.39305 0.7907118 -5.943058      1.063381  
1 1 1 -10 4  21 o 68.28984 0.4848333 2389.521   33.92711 2422.500  71.70000 2359.900   64.40000 68.75130 1.017747  67.85897 0.9261476 0.8923264      1.376066  
1 1 1 -10 4  22 o 47.99436 0.3917755 1180.237   19.26752 1348.100  43.80000 1048.400   34.40000 51.28970 0.8333848 45.23164 0.7421946 6.058064       1.115967  
1 1 1 -10 4  23 o 90.80485 0.5943252 4225.095   55.30082 4216.800  107.4000 4233.900   114.0000 90.70113 1.155562  90.88243 1.224127  -0.1813049     1.683393  
1 1 1 -10 4  24 o 107.4342 0.6797304 5914.575   74.83036 6428.000  159.2000 5459.200   141.2000 111.9718 1.387510  103.1920 1.335335  8.779816       1.925696  
1 1 1 -10 4  25 o 261.6227 1.485533  35098.85   398.2503 35660.40  805.5000 34549.70   787.7000 263.3638 2.984772  259.2357 2.965293  4.128052       4.207354  
1 1 1 -10 4  26 o 65.52524 0.4800955 2200.040   32.23552 2469.700  69.00000 1963.600   60.50000 69.41384 0.9700735 61.89471 0.9539014 7.519135       1.360504  
1 1 1 -10 4  27 o 104.2597 0.6768792 5570.586   72.31461 5696.000  147.9000 5450.600   141.5000 105.3894 1.369534  103.0963 1.339414  2.293121       1.915634  
1 1 1 -10 4  28 f 68.95705 0.5731553 2436.747   40.49947 2366.700  101.7000 2483.100   67.30000 67.92227 1.461202  69.59822 0.9436666 -1.675949      1.739431  
1 1 1 -10 4  29 o 77.44901 0.6184075 3074.092   49.07824 3158.200  123.6000 3018.700   81.40000 78.44679 1.537605  76.72949 1.035294  1.717300       1.853662  
1 1 1 -10 4  30 o 38.21920 0.4705131 748.5383   18.42688 847.4000  44.40000 678.4000   31.50000 40.63486 1.067240  36.37691 0.8450578 4.257954       1.361295  
1 1 1 -10 4  31 o 55.85764 0.5242603 1599.045   30.00737 1722.900  74.60000 1515.700   50.20000 57.94031 1.256492  54.36691 0.9010953 3.573406       1.546203  
1 1 1 -10 4  32 o 43.22158 0.5615439 957.5143   24.87040 997.5000  53.60000 922.9000   46.40000 44.06796 1.188064  42.39728 1.068878  1.670673       1.598123  
1 1 1 -10 4  33 o 71.47227 0.7526807 2619.421   55.12476 2740.400  121.8000 2519.400   100.7000 72.99237 1.628439  70.02227 1.403443  2.970100       2.149760  
1 1 1 -10 5  1  o 102.0371 1.874562  5337.800   196.0000 5337.800  196.0000 ?          ?        102.0371 1.874562  ?        ?         0.000000       1.874562  
1 1 1 -10 5  2  o 193.1488 1.256896  19119.34   248.7653 19141.00  428.8000 19089.40   592.5000 193.2056 2.165891  192.8725 2.997917  0.3330994      3.698458  
1 1 1 -10 5  3  o 185.5268 1.213944  17639.68   230.7829 18248.50  409.5000 16853.50   528.8000 188.6529 2.118323  181.2430 2.847291  7.409912       3.548853  
1 1 1 -10 5  4  o 136.3409 0.9118038 9525.353   127.3872 9670.100  223.8000 9334.100   295.7000 137.3534 1.590092  134.9230 2.138784  2.430435       2.665106  
1 1 1 -10 5  5  o 132.8109 0.8981234 9038.452   122.2273 9115.500  211.7000 8933.200   289.2000 133.3581 1.549185  131.9940 2.138188  1.364105       2.640421  
1 1 1 -10 5  6  o 59.48931 0.4598669 1813.266   28.03299 1767.200  48.20000 1877.300   67.00000 58.72667 0.8009646 60.52575 1.080280  -1.799088      1.344823  
1 1 1 -10 5  7  o 96.09444 0.6767045 4731.500   66.63396 4434.400  109.3000 5195.500   170.7000 93.02175 1.146667  100.6765 1.654654  -7.654716      2.013138  
1 1 1 -10 5  8  o 155.1214 1.071200  12331.03   170.2709 12151.00  293.0000 12580.80   406.5000 153.9537 1.857287  156.6121 2.533010  -2.658340      3.140964  
1 1 1 -10 5  9  o 239.5794 1.575578  29421.49   386.8011 28536.60  646.1000 30741.50   963.8000 235.8484 2.673428  244.6195 3.845010  -8.771164      4.683088  
1 1 1 -10 5  10 o 127.7265 0.8737956 8359.764   114.3640 8164.100  190.7000 8652.900   285.7000 126.2057 1.474596  129.8985 2.146385  -3.692787      2.604113  
1 1 1 -10 5  11 o 247.6334 1.629417  31435.68   413.4661 30564.50  687.9000 32748.20   1036.400 244.0554 2.750671  252.4044 4.007119  -8.349014      4.860370  
1 1 1 -10 5  12 o 49.72952 0.4402295 1267.113   22.43322 1294.600  40.30000 1232.600   50.60000 50.26371 0.7824419 49.04320 1.006870  1.220516       1.275148  
1 1 1 -10 5  13 o 197.2857 1.139098  19947.60   230.2793 19526.30  445.3000 20398.80   476.9000 195.1080 2.227303  199.4081 2.333921  -4.300110      3.226153  
1 1 1 -10 5  14 o 70.31372 0.4836934 2533.225   34.85047 2572.900  71.60000 2495.600   67.90000 70.85573 0.9861425 69.78384 0.9495473 1.071892       1.368984  
1 1 1 -10 5  15 o 135.9120 0.8360085 9465.915   116.4306 9403.900  228.4000 9530.400   237.5000 135.4310 1.645810  136.3356 1.700027  -0.9046631     2.366175  
1 1 1 -10 5  16 o 123.3317 0.7612022 7794.437   96.19959 7753.000  192.8000 7835.700   192.0000 122.9748 1.530004  123.6297 1.515585  -0.6548615     2.153580  
1 1 1 -10 5  17 o 2.989771 1.327872  -3.095706  8.134970 -18.60000 15.60000 13.80000   17.00000 3.486391 1.649326  5.854722 2.154649  -2.368331      2.713446  
1 1 1 -10 5  18 o 198.0795 1.140792  20109.86   231.5497 20255.10  462.6000 19964.30   463.6000 198.6838 2.272191  197.2496 2.293659  1.434174       3.228579  
1 1 1 -10 5  19 o 131.1514 0.7963653 8814.437   107.0246 8554.900  210.8000 9082.100   217.4000 129.1701 1.592613  133.0906 1.594094  -3.920486      2.253342  
1 1 1 -10 5  20 o 60.03931 0.4322872 1846.990   26.59539 1874.700  53.90000 1820.000   52.50000 60.48278 0.8696784 59.59402 0.8597224 0.8887558      1.222891  
1 1 1 -10 5  21 o 84.02709 0.5637309 3617.852   48.53886 3649.800  99.80000 3587.600   94.50000 84.38372 1.154180  83.66315 1.102298  0.7205734      1.595993  
1 1 1 -10 5  22 o 43.18566 0.3897560 955.5856   17.24768 916.0000  34.10000 996.1000   34.90000 42.27840 0.7871136 44.08836 0.7725082 -1.809956      1.102867  
1 1 1 -10 5  23 o 128.2950 0.8241032 8435.157   108.3403 8595.500  223.8000 8284.700   210.0000 129.4588 1.687059  127.1023 1.612381  2.356491       2.333654  
1 1 1 -10 5  24 o 117.1718 0.8658634 7036.291   103.9611 7051.500  247.8000 7025.300   179.1000 117.2167 2.063068  117.0458 1.493281  0.1708908      2.546789  
1 1 1 -10 5  25 o 102.1799 0.7761690 5350.796   81.26811 5599.600  208.2000 5191.500   133.3000 104.4529 1.945189  100.6230 1.292810  3.829964       2.335619  
1 1 1 -10 5  26 o 124.7897 0.9247487 7982.014   118.2499 8397.700  291.2000 7697.800   199.1000 127.8665 2.222472  122.4967 1.586166  5.369827       2.730440  
1 1 1 -10 5  27 o 63.57650 0.5372632 2071.267   35.00113 1878.400  78.60000 2226.100   63.10000 60.52056 1.267422  65.89852 0.9344484 -5.377964      1.574659  
1 1 1 -10 5  28 o 47.05606 0.5159125 1134.696   24.87654 1178.400  65.00000 1107.600   40.30000 47.91069 1.325256  46.48357 0.8460717 1.427120       1.572305  
1 1 1 -10 5  29 o 34.33846 0.4474729 604.2307   15.74512 604.0000  37.20000 604.4000   27.30000 34.30234 1.059600  34.33749 0.7758820 -0.3515244E-01 1.313295  
1 1 1 -10 5  30 o 19.11304 0.9475449 0.000000   0.000000 ?         ?        187.8000   18.50000 ?        ?         19.11304 0.9475449 0.000000       0.9475449 
1 1 1 -10 5  31 o 70.17233 0.5547354 2523.871   39.88872 2445.200  95.50000 2580.300   68.50000 69.00464 1.350600  70.92672 0.9425021 -1.922081      1.646946  
1 1 1 -10 5  32 o 59.08866 0.6613536 1789.998   40.04389 1837.200  83.20000 1746.200   77.20000 59.80166 1.357725  58.30915 1.292058  1.492504       1.874255  
1 1 1 -10 6  1  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -10 6  2  o 44.84356 1.101164  1030.600   50.60000 1030.600  50.60000 ?          ?        44.84356 1.101164  ?        ?         0.000000       1.101164  
1 1 1 -10 6  3  o 33.39948 0.3922580 571.5613   13.42487 597.5000  34.20000 554.8000   22.10000 34.13182 0.9788522 32.90508 0.6554370 1.226738       1.178028  
1 1 1 -10 6  4  o 214.4626 1.392336  23575.39   305.9806 23375.60  523.6000 23856.30   736.2000 213.4619 2.393761  215.5167 3.333623  -2.054779      4.104039  
1 1 1 -10 6  5  o 98.26810 0.6846302 4948.102   68.93931 4953.500  119.9000 4940.800   162.2000 98.31136 1.190192  98.17239 1.612364  0.1389694      2.004065  
1 1 1 -10 6  6  o 74.29646 0.5474693 2828.353   41.67986 2840.400  72.20000 2811.900   98.60000 74.44958 0.9464040 74.06860 1.299106  0.3809814      1.607282  
1 1 1 -10 6  7  o 292.7528 1.882075  43945.90   564.5942 43847.40  963.0000 44085.50   1364.700 292.2000 3.216235  292.6501 4.550825  -0.4501343     5.572627  
1 1 1 -10 6  8  o 125.5476 0.8493651 8077.143   109.2701 8253.600  192.4000 7845.200   252.9000 126.8900 1.479719  123.6852 1.995412  3.204803       2.484198  
1 1 1 -10 6  9  o 111.8214 0.6947545 6407.203   79.60766 6213.800  156.9000 6606.400   161.6000 110.1018 1.390689  113.5269 1.389135  -3.425026      1.965632  
1 1 1 -10 6  10 o 48.96470 0.3734385 1228.428   18.73702 1076.800  33.70000 1418.300   42.20000 45.84118 0.7174239 52.60984 0.7827933 -6.768669      1.061820  
1 1 1 -10 6  11 o 55.81507 0.3984944 1596.206   22.79146 1644.800  47.40000 1551.200   43.90000 56.65463 0.8164782 55.01943 0.7786639 1.635201       1.128253  
1 1 1 -10 6  12 o 114.6894 0.6864980 6740.137   80.67909 6668.000  157.6000 6815.800   165.3000 114.0538 1.348491  115.3089 1.398981  -1.255005      1.943084  
1 1 1 -10 6  13 o 17.58734 0.5274598 158.6321   9.495039 185.3000  17.40000 126.6000   20.90000 18.99434 0.8965078 15.66068 1.314498  3.333658       1.591110  
1 1 1 -10 6  14 o 15.70684 0.5144533 126.5444   8.268883 136.2000  17.00000 117.4000   16.10000 16.26982 1.024897  15.09886 1.047086  1.170967       1.465197  
1 1 1 -10 6  15 o 173.7751 1.007959  15476.32   179.4852 15447.80  353.7000 15505.70   364.4000 173.5430 1.988976  173.8624 2.045382  -0.3193512     2.853001  
1 1 1 -10 6  16 o 101.8209 0.6289083 5312.424   65.61798 5503.400  134.2000 5129.700   128.4000 103.6168 1.263933  100.0374 1.252577  3.579384       1.779459  
1 1 1 -10 6  17 o 87.33236 0.5549189 3908.037   49.65958 3857.100  97.60000 3960.800   101.1000 86.74976 1.097952  87.90746 1.122347  -1.157707      1.570083  
1 1 1 -10 6  18 o 228.2144 1.288436  26697.90   301.3037 26035.80  580.9000 27411.40   626.0000 225.2045 2.517248  231.0540 2.644006  -5.849487      3.650658  
1 1 1 -10 6  19 f 89.90318 0.5877578 4141.583   54.14668 3999.100  111.8000 4275.400   105.0000 88.32655 1.235242  91.33073 1.121951  -3.004181      1.668712  
1 1 1 -10 6  20 o 246.9359 1.657901  31270.50   419.5090 29318.70  963.2000 32776.50   743.2000 238.5981 3.939590  252.5811 2.871485  -13.98293      4.875018  
1 1 1 -10 6  21 o 29.90815 0.4759067 458.3337   14.58511 447.2000  32.90000 467.2000   26.20000 29.51762 1.089588  30.18154 0.8479928 -0.6639233     1.380686  
1 1 1 -10 6  22 o 12.51014 1.108840  80.85155   14.06735 109.4000  34.40000 61.10000   23.80000 14.40249 2.416394  10.71106 2.240559  3.691426       3.295309  
1 1 1 -10 6  23 o 152.6633 1.064384  11946.63   166.5067 12081.30  413.4000 11855.80   278.8000 153.3345 2.631068  152.0156 1.789807  1.318909       3.182126  
1 1 1 -10 6  24 o 54.41982 0.5030555 1517.520   28.05249 1380.700  65.80000 1619.200   48.90000 51.89291 1.237427  56.20720 0.8490212 -4.314289      1.500687  
1 1 1 -10 6  25 o 161.5246 1.145382  13376.62   189.5778 13642.70  464.3000 13193.00   320.4000 162.8473 2.782400  160.3069 1.950482  2.540482       3.397960  
1 1 1 -10 6  26 o 36.11878 0.4238410 668.4713   15.68680 560.5000  33.00000 766.3000   29.90000 33.05122 0.9754466 38.66687 0.7546297 -5.615646      1.233273  
1 1 1 -10 6  27 o 38.56856 0.4435472 762.2484   17.52958 708.1000  46.60000 794.9000   28.10000 37.13581 1.226283  39.38188 0.6963242 -2.246071      1.410191  
1 1 1 -10 6  28 o 87.77009 0.5870939 3948.120   52.80225 4257.600  115.6000 3687.900   97.20000 91.09857 1.238363  84.79523 1.118656  6.303345       1.668812  
1 1 1 -10 6  29 o 70.68537 0.5077184 2560.625   36.77485 2597.500  73.40000 2523.600   73.70000 71.16405 1.006554  70.14300 1.025380  1.021049       1.436856  
1 1 1 -10 6  30 o 62.97845 0.5545865 2032.925   35.78983 2162.000  91.70000 1950.300   58.70000 64.88159 1.379270  61.66369 0.9289883 3.217899       1.662951  
1 1 1 -10 6  31 o 39.45384 0.5204918 797.8467   21.04270 805.9000  43.80000 790.4000   40.50000 39.61180 1.080082  39.23495 1.008193  0.3768578      1.477508  
1 1 1 -10 7  1  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -10 7  2  o 77.93526 1.503871  3113.900   120.1000 3113.900  120.1000 ?          ?        77.93526 1.503871  ?        ?         0.000000       1.503871  
1 1 1 -10 7  3  o 185.3362 1.467532  17609.35   278.7060 18321.60  605.5000 17001.90   516.4000 188.8514 3.128927  181.9752 2.769336  6.876221       4.178446  
1 1 1 -10 7  4  o 68.57526 0.4845501 2409.522   34.04902 2583.900  64.20000 2212.600   72.50000 71.00809 0.8823255 65.70509 1.076814  5.303001       1.392130  
1 1 1 -10 7  5  o 81.32854 0.5037042 3389.098   41.97754 3049.200  75.40000 3816.000   94.70000 77.13567 0.9539328 86.28842 1.071024  -9.152756      1.434252  
1 1 1 -10 7  6  o 62.94111 0.4073863 2029.817   26.27479 2035.600  52.40000 2024.000   52.70000 63.02651 0.8113527 62.84658 0.8183340 0.1799316      1.152373  
1 1 1 -10 7  7  o 100.4059 1.251867  5167.400   128.8000 5167.400  128.8000 ?          ?        100.4059 1.251867  ?        ?         0.000000       1.251867  
1 1 1 -10 7  8  o 136.4404 0.7966640 9539.594   111.3824 9460.600  220.0000 9620.600   225.6000 135.8397 1.580512  136.9819 1.607228  -1.142273      2.254151  
1 1 1 -10 7  9  o 159.3547 1.948664  13024.30   318.2000 13024.30  318.2000 ?          ?        159.3547 1.948664  ?        ?         0.000000       1.948664  
1 1 1 -10 7  10 o 81.25328 0.5540679 3382.888   46.13199 3599.800  108.6000 3222.700   80.20000 83.80261 1.264660  79.29876 0.9869828 4.503853       1.604213  
1 1 1 -10 7  11 o 86.25138 0.5340447 3811.850   47.20000 3775.400  94.40000 3848.300   94.40000 85.82740 1.073366  86.65234 1.063147  -0.8249435     1.510760  
1 1 1 -10 7  12 o 182.0193 1.037968  16980.09   193.5975 16837.50  379.6000 17128.50   395.1000 181.1714 2.044740  182.7231 2.110159  -1.551636      2.938322  
1 1 1 -10 7  13 o 93.88094 0.5743229 4516.127   55.24995 4546.000  110.4000 4486.200   110.6000 94.17715 1.143998  93.55536 1.153687  0.6217880      1.624723  
1 1 1 -10 7  14 o 85.37199 0.5324883 3734.536   46.58262 3698.300  91.40000 3772.200   95.00000 84.94621 1.050035  85.78986 1.080660  -0.8436508     1.506785  
1 1 1 -10 7  15 o 129.4418 0.7494150 8586.050   99.40205 8165.100  188.1000 9057.800   210.8000 126.1984 1.454576  132.9125 1.547770  -6.714020      2.124002  
1 1 1 -10 7  16 o 36.86712 0.3773856 696.4122   14.25683 687.8000  34.10000 702.6000   24.50000 36.63446 0.9083772 37.02892 0.6456939 -0.3944588     1.114482  
1 1 1 -10 7  17 o 192.5535 1.273582  19006.54   251.2909 19089.90  599.0000 18946.30   432.9000 192.7352 3.032965  192.1466 2.198652  0.5885925      3.746058  
1 1 1 -10 7  18 o 66.49993 0.5541744 2265.982   37.76296 2306.200  90.90000 2237.400   64.60000 67.07093 1.322608  66.07239 0.9541445 0.9985428      1.630854  
1 1 1 -10 7  19 o 17.56812 0.5349301 158.2943   9.618653 103.6000  18.20000 219.6000   20.40000 14.15927 1.267791  20.67700 0.9654841 -6.517724      1.593566  
1 1 1 -10 7  20 o 50.56381 1.069231  1310.500   55.40000 1310.500  55.40000 ?          ?        50.56381 1.069231  ?        ?         0.000000       1.069231  
1 1 1 -10 7  21 o 18.18168 0.5214693 169.5284   9.705372 136.4000  21.20000 197.5000   17.90000 16.26036 1.282734  19.61000 0.8931380 -3.349644      1.563043  
1 1 1 -10 7  22 o 34.51067 0.4142605 610.2531   14.64958 607.3000  34.80000 612.4000   25.30000 34.40644 0.9880777 34.56859 0.7142339 -0.1621475     1.219191  
1 1 1 -10 7  23 o 16.23158 0.6242921 135.2128   10.36422 98.40000  23.90000 163.4000   18.30000 13.73925 1.736311  17.82545 1.005954  -4.086202      2.006669  
1 1 1 -10 7  24 o 93.05944 0.5926219 4437.904   56.51146 4285.500  111.3000 4595.100   114.8000 91.41942 1.188115  94.66438 1.183469  -3.244957      1.676966  
1 1 1 -10 7  25 o 63.74171 0.4534883 2081.975   29.62022 2269.500  61.90000 1909.900   56.80000 66.53674 0.9078848 61.03819 0.9081306 5.498547       1.284117  
1 1 1 -10 7  26 o 89.91286 0.5853380 4143.122   53.92957 4139.400  110.0000 4146.700   105.8000 89.83462 1.194952  89.91763 1.148266  -0.8300781E-01 1.657234  
1 1 1 -10 7  27 o 57.72131 0.4163334 1707.304   24.62498 1654.100  49.30000 1760.400   49.20000 56.80042 0.8470265 58.59838 0.8193719 -1.797970      1.178484  
1 1 1 -10 7  28 o 48.26289 0.4015616 1193.642   19.85930 1209.300  38.00000 1176.500   41.60000 48.56688 0.7635633 47.90005 0.8475375 0.6668205      1.140767  
1 1 1 -10 7  29 o 92.93068 0.7020253 4427.635   66.85136 4489.400  166.5000 4386.200   111.7000 93.41919 1.739321  92.43957 1.179226  0.9796219      2.101383  
1 1 1 -10 7  30 o 63.77177 0.6569701 2085.025   42.93114 2103.300  87.70000 2067.500   84.10000 63.98444 1.337602  63.44316 1.293638  0.5412865      1.860827  
1 1 1 -10 8  1  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -10 8  2  o 66.00790 1.349822  0.000000   0.000000 ?         ?        2233.600   91.30000 ?        ?         66.00790 1.349822  0.000000       1.349822  
1 1 1 -10 8  3  o 111.9391 0.9700200 6421.815   111.2656 6504.100  220.5000 6338.000   224.6000 112.6069 1.910932  111.1557 1.971877  1.451210       2.745898  
1 1 1 -10 8  4  o 58.30021 0.4560480 1741.552   27.24451 1787.900  75.90000 1715.600   42.50000 59.05848 1.254184  57.86147 0.7168050 1.197010       1.444571  
1 1 1 -10 8  5  f 151.7808 0.8812931 11806.08   137.0678 11886.80  278.4000 11727.80   270.0000 152.2424 1.784577  151.2242 1.742385  1.018173       2.494117  
1 1 1 -10 8  6  o 56.21813 0.3794580 1619.349   21.85941 1786.300  48.20000 1480.800   40.00000 59.04057 0.7967061 53.75622 0.7261609 5.284348       1.077984  
1 1 1 -10 8  7  o 48.73929 0.3629105 1217.151   18.12497 1216.500  36.30000 1217.800   36.20000 48.72327 0.7270626 48.74932 0.7246723 -0.2605438E-01 1.026533  
1 1 1 -10 8  8  o 113.3527 0.6683278 6584.037   77.62823 6442.300  152.7000 6730.600   157.9000 112.1029 1.329302  114.5831 1.344817  -2.480179      1.890919  
1 1 1 -10 8  9  o 42.81581 0.3517023 939.2767   15.43042 865.5000  29.80000 1018.500   32.00000 41.09750 0.7076240 44.58235 0.7004685 -3.484856      0.9956846 
1 1 1 -10 8  10 o 29.34019 0.3141400 441.0701   9.444619 360.7000  17.30000 537.7000   20.80000 26.53146 0.6363360 32.39358 0.6266225 -5.862120      0.8930730 
1 1 1 -10 8  11 o 158.1482 0.9154527 12817.80   148.3538 12839.00  300.3000 12797.10   293.2000 158.2133 1.852311  157.9587 1.811432  0.2546082      2.590818  
1 1 1 -10 8  12 o 122.6759 0.7204319 7711.884   90.56297 8157.500  192.4000 7315.600   171.1000 126.1356 1.488570  119.4545 1.397813  6.681053       2.041990  
1 1 1 -10 8  13 o 107.1273 0.7412803 5880.960   81.37316 5722.500  186.6000 6003.500   144.3000 105.6318 1.723926  108.2172 1.301283  -2.585350      2.159921  
1 1 1 -10 8  14 o 39.68270 0.3809874 806.8488   15.49210 618.5000  30.30000 1003.900   31.70000 34.74020 0.8511615 44.26139 0.6989335 -9.521194      1.101355  
1 1 1 -10 8  15 o 208.4807 1.385270  22283.95   295.9367 21873.10  690.5000 22592.10   517.9000 206.2340 3.267420  209.7746 2.409321  -3.540604      4.059663  
1 1 1 -10 8  16 o 103.6081 0.7319050 5500.977   77.70460 5558.700  186.9000 5459.900   133.0000 104.1026 1.752062  103.2010 1.257678  0.9015503      2.156728  
1 1 1 -10 8  17 o 144.7695 0.9725440 10741.79   144.2729 10723.70  346.5000 10754.70   247.2000 144.5247 2.339715  144.8067 1.665948  -0.2820435     2.872220  
1 1 1 -10 8  18 o 113.3585 0.8225500 6585.600   95.54652 6012.900  226.8000 7002.500   165.1000 108.2410 2.044810  116.8627 1.378710  -8.621704      2.466189  
1 1 1 -10 8  19 o 12.31288 1.370586  0.000000   0.000000 ?         ?        78.70000   17.00000 ?        ?         12.31288 1.370586  0.000000       1.370586  
1 1 1 -10 8  20 o 11.04717 0.7948455 62.87000   8.937568 34.40000  21.90000 82.50000   15.10000 8.142764 2.436070  12.63027 1.180390  -4.487505      2.706983  
1 1 1 -10 8  21 o 101.4658 0.6253771 5275.903   65.02198 5327.400  132.8000 5226.500   127.4000 101.9272 1.271480  100.9600 1.231464  0.9672165      1.770075  
1 1 1 -10 8  22 o 93.61831 0.6007266 4491.399   57.62833 4809.700  121.9000 4206.000   109.3000 96.84633 1.228350  90.56789 1.177735  6.278435       1.701735  
1 1 1 -10 8  23 o 50.30730 0.3835333 1296.799   19.77118 1340.600  40.10000 1254.200   39.00000 51.14239 0.7651824 49.46681 0.7694002 1.675583       1.085118  
1 1 1 -10 8  24 o 72.61355 0.5006674 2702.005   37.25335 2560.300  70.90000 2858.900   78.50000 70.66485 0.9791392 74.66930 1.025957  -4.004448      1.418204  
1 1 1 -10 8  25 f 38.09360 0.3560206 743.5685   13.89714 775.0000  30.40000 717.1000   25.60000 38.88258 0.7629924 37.40418 0.6679155 1.478397       1.014036  
1 1 1 -10 8  26 o 23.44644 0.8170432 0.000000   0.000000 ?         ?        282.2000   19.60000 ?        ?         23.44644 0.8170432 0.000000       0.8170432 
1 1 1 -10 8  27 o 90.86060 0.5813358 4231.581   54.12539 4296.500  113.7000 4172.600   103.3000 91.49031 1.212794  90.17390 1.117947  1.316406       1.649446  
1 1 1 -10 8  28 o 54.15017 0.5027577 1502.890   27.89696 1536.800  73.40000 1482.100   45.00000 54.69971 1.309522  53.75817 0.8169015 0.9415436      1.543429  
1 1 1 -10 8  29 o 11.19105 0.7706247 64.53194   8.783194 70.50000  20.10000 59.90000   15.60000 11.57380 1.749348  10.69620 1.461486  0.8775997      2.279509  
1 1 1 -10 9  1  o 150.4036 1.779792  0.000000   0.000000 ?         ?        11603.00   274.3000 ?        ?         150.4036 1.779792  0.000000       1.779792  
1 1 1 -10 9  2  o 56.88612 1.183707  0.000000   0.000000 ?         ?        1658.800   69.00000 ?        ?         56.88612 1.183707  0.000000       1.183707  
1 1 1 -10 9  3  o 35.32712 1.156259  0.000000   0.000000 ?         ?        640.4000   41.80000 ?        ?         35.32712 1.156259  0.000000       1.156259  
1 1 1 -10 9  4  o 66.52879 0.4392373 2267.862   29.94382 2282.800  92.40000 2260.700   44.30000 66.72860 1.351331  66.42098 0.6508787 0.3076172      1.499913  
1 1 1 -10 9  5  o 270.3131 1.751417  37477.02   485.1265 36647.70  1160.300 38072.90   833.7000 266.6143 4.247060  272.1768 2.989237  -5.562469      5.193559  
1 1 1 -10 9  6  o 154.3359 0.8780774 12207.28   138.8667 12072.50  273.5000 12346.30   282.1000 153.4214 1.739694  155.1481 1.774427  -1.726746      2.484981  
1 1 1 -10 9  7  o 115.8033 0.6804584 6871.958   80.74598 6674.600  155.9000 7084.000   167.5000 114.1021 1.333380  117.5462 1.390618  -3.444061      1.926583  
1 1 1 -10 9  8  o 121.7651 0.7126931 7597.866   88.92499 7541.200  177.9000 7654.500   177.8000 121.2774 1.431521  122.1857 1.420080  -0.9083405     2.016403  
1 1 1 -10 9  9  o 98.08179 0.8441433 4930.090   84.84045 5167.000  167.9000 4688.100   171.5000 100.3760 1.632384  95.60455 1.750601  4.771500       2.393592  
1 1 1 -10 9  10 o 31.95557 0.3411973 523.2146   11.17251 494.9000  24.70000 546.6000   20.40000 31.07616 0.7756598 32.66040 0.6095514 -1.584236      0.9865095 
1 1 1 -10 9  11 o 99.19768 0.6989408 5042.539   71.04610 4799.600  158.9000 5239.000   128.5000 96.74170 1.602920  101.0921 1.240473  -4.350441      2.026851  
1 1 1 -10 9  12 o 91.89217 0.6542305 4327.082   61.60382 4205.300  143.4000 4418.800   108.0000 90.55656 1.545364  92.84598 1.135174  -2.289413      1.917490  
1 1 1 -10 9  13 o 125.8502 0.8566728 8117.063   110.4758 7903.400  256.6000 8278.600   194.0000 124.1031 2.017789  127.0599 1.490029  -2.956879      2.508318  
1 1 1 -10 9  14 f 32.69335 0.3971319 547.6646   13.30432 465.5000  27.70000 623.6000   25.60000 30.12400 0.8983681 34.88383 0.7161721 -4.759836      1.148898  
1 1 1 -10 9  15 o 45.53039 0.4219300 1062.194   19.68522 1113.100  46.20000 1024.400   34.30000 46.60121 0.9674900 44.70944 0.7486805 1.891766       1.223339  
1 1 1 -10 9  16 o 108.6133 0.7765778 6045.785   86.43040 6004.100  204.5000 6076.300   149.7000 108.1701 1.844964  108.8577 1.342036  -0.6876678     2.281436  
1 1 1 -10 9  17 o 42.40822 0.3692632 921.5042   16.04665 961.1000  33.50000 885.1000   30.80000 43.30519 0.7549297 41.55820 0.7232619 1.746986       1.045479  
1 1 1 -10 9  18 o 62.03185 0.4463983 1971.710   28.37498 1903.600  56.80000 2039.700   56.70000 60.94102 0.9095786 63.08289 0.8771484 -2.141869      1.263615  
1 1 1 -10 9  19 o 56.61636 0.4077131 1642.453   23.65348 1719.000  49.50000 1572.400   45.30000 57.91204 0.8341381 55.38850 0.7981421 2.523537       1.154477  
1 1 1 -10 9  20 o 21.33036 0.9448211 233.7000   20.60000 233.7000  20.60000 ?          ?        21.33036 0.9448211 ?        ?         0.000000       0.9448211 
1 1 1 -10 9  21 o 26.59472 0.3609111 362.4088   9.835443 347.0000  18.50000 379.9000   21.00000 26.01072 0.6947203 27.21433 0.7537751 -1.203609      1.025092  
1 1 1 -10 9  22 o 7.373315 1.024790  28.41192   7.533775 41.00000  14.40000 14.60000   15.80000 8.792762 1.659040  5.813123 2.086200  2.979639       2.665454  
1 1 1 -10 9  23 o 47.92600 0.3704521 1176.968   18.19289 1308.800  39.00000 1061.700   34.10000 50.52901 0.7532263 45.51048 0.7312140 5.018524       1.049773  
1 1 1 -10 9  24 o 110.0948 0.6736040 6213.191   75.99238 6371.300  155.2000 6061.500   148.9000 111.4032 1.359552  108.6645 1.337238  2.738678       1.906984  
1 1 1 -10 9  25 o 39.92642 0.3445664 816.8709   14.09716 752.3000  27.80000 883.3000   28.60000 38.30678 0.7082242 41.50951 0.6723881 -3.202728      0.9765692 
1 1 1 -10 9  26 o 49.58924 0.4592815 1260.304   23.33806 1285.000  61.00000 1245.000   37.80000 50.02932 1.189890  49.27483 0.7486319 0.7544937      1.405805  
1 1 1 -10 9  27 o 17.65434 0.5104150 159.8885   9.223957 199.3000  23.00000 133.5000   15.40000 19.66876 1.146141  16.10337 0.9373180 3.565395       1.480609  
1 1 1 -10 10 1  o 105.7614 1.329653  0.000000   0.000000 ?         ?        5735.300   144.1000 ?        ?         105.7614 1.329653  0.000000       1.329653  
1 1 1 -10 10 2  o 38.45664 1.023580  0.000000   0.000000 ?         ?        758.6000   40.30000 ?        ?         38.45664 1.023580  0.000000       1.023580  
1 1 1 -10 10 3  o 52.08648 1.412123  0.000000   0.000000 ?         ?        1392.200   75.30000 ?        ?         52.08648 1.412123  0.000000       1.412123  
1 1 1 -10 10 4  o 58.19112 1.375178  0.000000   0.000000 ?         ?        1736.300   82.00000 ?        ?         58.19112 1.375178  0.000000       1.375178  
1 1 1 -10 10 5  o 81.28983 0.7803308 0.000000   0.000000 ?         ?        3386.500   65.00000 ?        ?         81.28983 0.7803308 0.000000       0.7803308 
1 1 1 -10 10 6  o 132.5023 1.232180  0.000000   0.000000 ?         ?        9001.000   167.3000 ?        ?         132.5023 1.232180  0.000000       1.232180  
1 1 1 -10 10 7  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -10 10 8  o 116.7285 0.7965640 6982.973   95.27871 7047.600  223.1000 6934.800   166.3000 117.1966 1.857746  116.2924 1.395541  0.9042053      2.323522  
1 1 1 -10 10 9  o 59.40889 0.4577038 1808.468   27.86341 1860.800  67.20000 1771.400   47.60000 60.24951 1.088472  58.79157 0.7901208 1.457939       1.345014  
1 1 1 -10 10 10 o 82.22782 0.5970142 3464.778   50.30392 3831.600  128.9000 3230.000   82.50000 86.43700 1.455308  79.38107 1.014235  7.055939       1.773864  
1 1 1 -10 10 11 o 151.0574 1.005899  11696.51   155.7023 11805.50  375.5000 11619.30   266.0000 151.5896 2.417364  150.4894 1.724953  1.100220       2.969699  
1 1 1 -10 10 12 o 112.5323 0.7585802 6489.991   87.47363 6709.300  215.8000 6340.500   147.1000 114.3398 1.841856  111.1993 1.290958  3.140480       2.249223  
1 1 1 -10 10 13 o 113.3986 0.6841858 6590.034   79.50236 6631.500  165.5000 6551.700   153.0000 113.7097 1.420373  113.0313 1.320974  0.6783371      1.939699  
1 1 1 -10 10 14 o 64.69918 0.4457481 2144.926   29.55198 2013.400  57.50000 2284.000   60.80000 62.67402 0.8953275 66.75317 0.8888599 -4.079147      1.261619  
1 1 1 -10 10 15 f 88.96811 0.5563920 4056.137   50.72401 4109.400  101.0000 4002.400   101.9000 89.52761 1.100946  88.35302 1.125523  1.174591       1.574447  
1 1 1 -10 10 16 o 39.62943 0.3551506 804.7053   14.42211 763.6000  27.20000 851.1000   30.70000 38.59998 0.6876755 40.75074 0.7351983 -2.150768      1.006685  
1 1 1 -10 10 17 o 85.85968 0.5446134 3777.738   47.91549 3759.400  94.50000 3796.600   97.20000 85.62666 1.077022  86.04770 1.102373  -0.4210434     1.541169  
1 1 1 -10 10 18 o 85.81913 0.5350339 3774.209   47.05045 3618.400  92.00000 3937.300   96.30000 84.00322 1.068793  87.62654 1.072488  -3.623322      1.514116  
1 1 1 -10 10 19 o 109.8881 0.6611677 6188.988   74.44932 6309.200  153.8000 6076.200   144.3000 110.8891 1.353534  108.8291 1.293967  2.060066       1.872539  
1 1 1 -10 10 20 o 33.45319 0.3506081 573.4437   12.01871 652.0000  24.60000 498.4000   23.50000 35.66584 0.6731073 31.18177 0.7354764 4.484068       0.9969950 
1 1 1 -10 10 21 o 18.62366 0.4423977 177.7396   8.442603 169.2000  16.40000 186.8000   17.40000 18.14389 0.8847619 19.06581 0.8931087 -0.9219131     1.257158  
1 1 1 -10 10 22 o 82.84470 0.5265506 3517.538   44.69955 3770.000  95.80000 3296.700   83.80000 85.72042 1.090644  80.16617 1.020128  5.554253       1.493373  
1 1 1 -10 10 23 o 10.01070 0.7836138 51.70063   7.974295 62.30000  15.80000 40.90000   16.10000 10.91739 1.448014  8.750991 1.853206  2.166396       2.351833  
1 1 1 -10 10 24 o 85.46930 0.6415703 3745.059   56.18919 3661.400  138.6000 3802.100   94.50000 84.37190 1.603124  86.06989 1.071475  -1.697990      1.928228  
1 1 1 -10 10 25 o 45.10318 0.4271844 1042.596   19.74336 1081.900  50.30000 1017.200   32.50000 45.90849 1.069243  44.53836 0.7121160 1.370129       1.284675  
1 1 1 -10 11 1  f 159.2265 1.847880  0.000000   0.000000 ?         ?        13016.10   301.5000 ?        ?         159.2265 1.847880  0.000000       1.847880  
1 1 1 -10 11 2  o 30.39088 0.7873909 0.000000   0.000000 ?         ?        473.7000   24.50000 ?        ?         30.39088 0.7873909 0.000000       0.7873909 
1 1 1 -10 11 3  o 21.51419 0.9229621 0.000000   0.000000 ?         ?        237.7000   20.30000 ?        ?         21.51419 0.9229621 0.000000       0.9229621 
1 1 1 -10 11 4  f 72.88738 1.429949  0.000000   0.000000 ?         ?        2725.100   106.8000 ?        ?         72.88738 1.429949  0.000000       1.429949  
1 1 1 -10 11 5  o 39.22657 0.9777185 0.000000   0.000000 ?         ?        788.8000   39.30000 ?        ?         39.22657 0.9777185 0.000000       0.9777185 
1 1 1 -10 11 6  o 18.37096 1.451374  0.000000   0.000000 ?         ?        174.2000   27.10000 ?        ?         18.37096 1.451374  0.000000       1.451374  
1 1 1 -10 11 7  o 76.79469 1.502062  0.000000   0.000000 ?         ?        3025.500   118.2000 ?        ?         76.79469 1.502062  0.000000       1.502062  
1 1 1 -10 11 8  o 70.28600 1.353747  0.000000   0.000000 ?         ?        2533.800   97.50000 ?        ?         70.28600 1.353747  0.000000       1.353747  
1 1 1 -10 11 9  f 64.58958 0.5321438 2137.799   35.22004 2177.600  59.60000 2080.300   86.10000 65.17808 0.8923728 63.68733 1.319325  1.490749       1.592780  
1 1 1 -10 11 10 o 16.53103 0.5762055 140.2116   9.745657 123.3000  14.30000 176.4000   30.60000 15.48275 0.9052914 18.46827 1.633786  -2.985516      1.867836  
1 1 1 -10 11 11 o 125.4852 0.8737415 8071.738   112.3502 8094.200  189.2000 8038.900   276.6000 125.6031 1.470017  125.0729 2.158195  0.5302658      2.611275  
1 1 1 -10 11 12 o 24.63908 0.4596491 311.0853   11.60511 300.5000  17.90000 330.6000   33.00000 24.20293 0.7225589 25.35612 1.274168  -1.153189      1.464785  
1 1 1 -10 11 13 o 106.0058 0.7567492 5759.782   82.20156 5525.600  134.1000 6130.700   212.4000 103.7907 1.260875  109.2475 1.897337  -5.456841      2.278090  
1 1 1 -10 11 14 o 125.0714 0.8661847 8019.201   111.0112 8009.700  186.9000 8033.100   273.4000 124.9319 1.459948  124.9997 2.134475  -0.6776428E-01 2.586007  
1 1 1 -10 11 15 f 48.12293 0.3771920 1186.650   18.60000 1192.700  37.20000 1180.600   37.20000 48.23716 0.7525977 47.99173 0.7564463 0.2454262      1.067059  
1 1 1 -10 11 16 o 146.6408 0.8317034 11024.06   124.9746 10904.00  250.4000 11143.70   249.5000 145.7047 1.677114  147.3026 1.652957  -1.597977      2.354778  
1 1 1 -10 11 17 o 37.45755 0.4089933 718.9800   15.69835 688.5000  25.40000 768.3000   41.10000 36.64986 0.6763368 38.69021 1.037611  -2.040344      1.238575  
1 1 1 -10 11 18 o 45.95816 0.3692824 1082.325   17.39080 1105.700  35.60000 1060.000   34.00000 46.44122 0.7480800 45.47202 0.7296866 0.9692001      1.045020  
1 1 1 -10 11 19 o 62.20084 0.4225181 1982.691   26.93022 2189.600  57.70000 1801.600   50.50000 65.34352 0.8617374 59.27380 0.8314386 6.069717       1.197448  
1 1 1 -10 11 20 o 43.93622 0.3422883 989.1960   15.41037 997.7000  31.80000 981.2000   29.90000 44.11345 0.7034896 43.74863 0.6669731 0.3648224      0.9694074 
1 1 1 -10 11 21 o 20.86422 0.3866229 223.0852   8.265862 276.4000  17.10000 173.2000   16.00000 23.20633 0.7199743 18.35627 0.8529549 4.850054       1.116197  
1 1 1 -10 11 22 o 61.58845 0.4744705 1944.147   29.94380 2053.400  75.10000 1871.700   49.80000 63.23669 1.158971  60.40889 0.8045076 2.827805       1.410831  
1 1 1 -10 11 23 o 35.22193 0.3827113 635.7834   13.81283 556.5000  31.50000 697.7000   24.60000 32.91796 0.9348013 36.88796 0.6508068 -3.970005      1.139036  
1 1 1 -10 12 1  o 139.1429 1.612425  0.000000   0.000000 ?         ?        9942.700   229.9000 ?        ?         139.1429 1.612425  0.000000       1.612425  
1 1 1 -10 12 2  o 69.19041 0.9915419 0.000000   0.000000 ?         ?        2454.900   70.30000 ?        ?         69.19041 0.9915419 0.000000       0.9915419 
1 1 1 -10 12 3  o 65.83947 0.8685862 0.000000   0.000000 ?         ?        2222.400   58.60000 ?        ?         65.83947 0.8685862 0.000000       0.8685862 
1 1 1 -10 12 4  o 90.99675 1.119635  0.000000   0.000000 ?         ?        4247.000   104.4000 ?        ?         90.99675 1.119635  0.000000       1.119635  
1 1 1 -10 12 5  o 81.74866 1.442075  0.000000   0.000000 ?         ?        3430.000   120.8000 ?        ?         81.74866 1.442075  0.000000       1.442075  
1 1 1 -10 12 6  o 80.09997 1.507089  0.000000   0.000000 ?         ?        3293.600   123.7000 ?        ?         80.09997 1.507089  0.000000       1.507089  
1 1 1 -10 12 7  o 36.70058 1.040745  0.000000   0.000000 ?         ?        691.3000   39.10000 ?        ?         36.70058 1.040745  0.000000       1.040745  
1 1 1 -10 12 8  o 46.71037 0.5432501 1118.169   26.00229 1267.600  57.60000 995.2000   47.40000 49.71223 1.130735  44.05151 1.050072  5.660717       1.543118  
1 1 1 -10 12 9  o 35.69002 0.5248255 652.7847   19.19376 617.9000  36.90000 690.6000   40.00000 34.69520 1.039078  36.67957 1.065363  -1.984375      1.488181  
1 1 1 -10 12 10 o 68.59721 0.6657889 2411.911   46.79952 2424.200  93.90000 2399.700   93.30000 68.72894 1.333299  68.38090 1.331522  0.3480377      1.884314  
1 1 1 -10 12 11 o 68.19228 0.5291932 2383.184   36.97838 2364.100  61.30000 2412.200   93.20000 67.90224 0.8810042 68.55662 1.326686  -0.6543732     1.592565  
1 1 1 -10 12 12 o 68.46480 0.5173683 2402.275   36.29657 2297.700  58.40000 2574.000   95.90000 66.94228 0.8513616 70.81576 1.321571  -3.873482      1.572058  
1 1 1 -10 12 13 o 14.90402 0.6234546 114.0562   9.500498 126.2000  15.40000 94.50000   24.80000 15.65682 0.9645666 13.43079 1.851168  2.226027       2.087394  
1 1 1 -10 12 14 o 42.69252 0.4245565 934.0405   18.57315 906.2000  30.10000 978.9000   48.50000 42.04370 0.6986621 43.67973 1.083586  -1.636024      1.289297  
1 1 1 -10 12 15 o 42.92461 0.4312690 944.2469   18.96937 910.5000  32.90000 990.2000   44.80000 42.13983 0.7619119 43.93385 0.9951314 -1.794018      1.253314  
1 1 1 -10 12 16 o 50.20073 0.4352487 1291.526   22.38958 1316.000  38.40000 1257.300   53.70000 50.66151 0.7396984 49.49898 1.058717  1.162537       1.291524  
1 1 1 -10 12 17 o 47.31120 0.4259645 1147.139   20.65074 1130.000  33.40000 1174.900   54.10000 46.94571 0.6943081 47.84258 1.103530  -0.8968658     1.303780  
1 1 1 -10 12 18 o 11.55333 0.7267505 68.71798   8.560218 49.30000  13.60000 101.7000   23.10000 9.693197 1.410575  13.96243 1.646160  -4.269232      2.167848  
1 1 1 -10 12 19 o 34.31387 0.4677325 603.4985   16.44620 603.4000  32.40000 603.6000   33.40000 34.27945 0.9232270 34.28274 0.9516845 -0.3292084E-02 1.325915  
1 1 1 -10 12 20 o 37.67801 0.4433390 727.6212   17.11679 777.7000  33.50000 675.3000   35.00000 38.93438 0.8396788 36.26224 0.9427218 2.672142       1.262452  
1 1 1 -10 13 1  o 23.77209 1.161179  0.000000   0.000000 ?         ?        290.8000   28.20000 ?        ?         23.77209 1.161179  0.000000       1.161179  
1 1 1 -10 13 2  o 17.43877 1.325002  0.000000   0.000000 ?         ?        157.1000   23.50000 ?        ?         17.43877 1.325002  0.000000       1.325002  
1 1 1 -10 13 3  o 97.88799 1.268117  0.000000   0.000000 ?         ?        4920.600   127.2000 ?        ?         97.88799 1.268117  0.000000       1.268117  
1 1 1 -10 13 4  o 48.58489 0.8034528 0.000000   0.000000 ?         ?        1210.500   40.00000 ?        ?         48.58489 0.8034528 0.000000       0.8034528 
1 1 1 -10 13 5  o 26.47010 0.8379524 0.000000   0.000000 ?         ?        359.7000   22.70000 ?        ?         26.47010 0.8379524 0.000000       0.8379524 
1 1 1 -10 13 6  o 51.93346 0.7666806 0.000000   0.000000 ?         ?        1383.000   40.80000 ?        ?         51.93346 0.7666806 0.000000       0.7666806 
1 1 1 -10 13 7  o 49.13394 1.120209  0.000000   0.000000 ?         ?        1239.100   56.40000 ?        ?         49.13394 1.120209  0.000000       1.120209  
1 1 1 -10 13 8  o 18.01280 1.347964  0.000000   0.000000 ?         ?        167.6000   24.70000 ?        ?         18.01280 1.347964  0.000000       1.347964  
1 1 1 -10 13 9  o 58.23162 1.270316  0.000000   0.000000 ?         ?        1741.500   75.80000 ?        ?         58.23162 1.270316  0.000000       1.270316  
1 1 1 -10 13 10 o 68.06280 0.6996732 2375.276   48.79815 2346.400  98.20000 2403.800   97.00000 67.56899 1.418292  68.39551 1.384031  -0.8265152     1.981690  
1 1 1 -10 13 11 o 29.55998 0.5271072 447.8888   15.96620 428.7000  31.20000 468.0000   32.70000 28.88128 1.056019  30.17749 1.059108  -1.296204      1.495622  
1 1 1 -10 13 12 f 29.43665 0.4622222 444.1201   13.94240 418.9000  26.60000 471.9000   29.30000 28.55951 0.9100962 30.31148 0.9444792 -1.751968      1.311608  
1 1 1 -10 13 13 o 44.32749 1.161217  0.000000   0.000000 ?         ?        1009.800   52.70000 ?        ?         44.32749 1.161217  0.000000       1.161217  
1 1 1 -10 13 14 o 19.79601 0.5147469 201.0146   10.43281 198.2000  16.70000 205.7000   27.80000 19.63836 0.8317588 19.95653 1.367713  -0.3181725     1.600769  
1 1 1 -10 13 15 o 57.26855 0.5491257 1681.329   32.22451 1701.700  64.20000 1660.800   64.70000 57.56558 1.088363  56.86695 1.110314  0.6986275      1.554777  
1 1 1 -10 13 16 o 36.07916 0.4553545 667.2070   16.83467 676.1000  32.10000 657.4000   35.40000 36.29939 0.8629932 35.77415 0.9665707 0.5252304      1.295769  
1 1 1 -10 14 2  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -10 14 3  o 48.19799 1.148037  0.000000   0.000000 ?         ?        1193.500   56.70000 ?        ?         48.19799 1.148037  0.000000       1.148037  
1 1 1 -10 14 4  o 73.74050 1.425316  0.000000   0.000000 ?         ?        2797.800   107.7000 ?        ?         73.74050 1.425316  0.000000       1.425316  
1 1 1 -10 14 5  f 31.33911 1.104071  0.000000   0.000000 ?         ?        505.1000   35.40000 ?        ?         31.33911 1.104071  0.000000       1.104071  
1 1 1 -10 14 6  o 72.93598 1.375476  0.000000   0.000000 ?         ?        2736.300   102.8000 ?        ?         72.93598 1.375476  0.000000       1.375476  
1 1 1 -10 14 7  o 5.684513 2.344432  0.000000   0.000000 ?         ?        5.000000   22.10000 ?        ?         5.684513 2.344432  0.000000       2.344432  
1 1 1 -10 14 8  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -9  0  1  o 72.83252 1.016099  2719.500   75.80000 2719.500  75.80000 2719.500   75.80000 72.83252 1.016099  72.83252 1.016099  0.000000       0.000000  
1 1 1 -9  0  2  o 173.9825 2.053027  15517.70   365.9000 15517.70  365.9000 15517.70   365.9000 173.9825 2.053027  173.9825 2.053027  0.000000       0.000000  
1 1 1 -9  0  3  o 133.5046 1.654780  9137.000   226.3000 9137.000  226.3000 9137.000   226.3000 133.5046 1.654780  133.5046 1.654780  -0.000000      0.000000  
1 1 1 -9  0  4  o 197.6580 2.380543  20029.70   482.0000 20029.70  482.0000 20029.70   482.0000 197.6580 2.380543  197.6580 2.380543  0.000000       0.000000  
1 1 1 -9  0  5  o 454.4323 5.028676  105940.0   2341.000 105940.0  2341.000 105940.0   2341.000 454.4323 5.028676  454.4323 5.028676  -0.000000      0.000000  
1 1 1 -9  0  6  o 225.6672 2.614935  26108.80   604.5000 26108.80  604.5000 26108.80   604.5000 225.6672 2.614935  225.6672 2.614935  0.000000       0.000000  
1 1 1 -9  0  7  o 96.31721 1.211212  4755.600   119.5000 4755.600  119.5000 4755.600   119.5000 96.31721 1.211212  96.31721 1.211212  0.000000       0.000000  
1 1 1 -9  0  8  o ?        ?         -102.5000  22.90000 -102.5000 22.90000 -102.5000  22.90000 ?        ?         ?        ?         -0.000000      0.000000  
1 1 1 -9  0  9  o 28.61183 0.8304075 420.5000   24.30000 420.5000  24.30000 420.5000   24.30000 28.61183 0.8304075 28.61183 0.8304075 -0.000000      0.000000  
1 1 1 -9  0  10 o 122.0372 1.495884  7634.600   187.0000 7634.600  187.0000 7634.600   187.0000 122.0372 1.495884  122.0372 1.495884  0.000000       0.000000  
1 1 1 -9  0  11 o 330.3500 3.725910  55966.20   1260.900 55966.20  1260.900 55966.20   1260.900 330.3500 3.725910  330.3500 3.725910  -0.000000      0.000000  
1 1 1 -9  0  12 o 644.9737 7.075530  213666.0   4675.000 213666.0  4675.000 213666.0   4675.000 644.9737 7.075530  644.9737 7.075530  -0.000000      0.000000  
1 1 1 -9  0  13 o 190.3841 2.242774  18582.70   437.4000 18582.70  437.4000 18582.70   437.4000 190.3841 2.242774  190.3841 2.242774  -0.000000      0.000000  
1 1 1 -9  0  14 o 332.9052 3.735715  56842.70   1274.000 56842.70  1274.000 56842.70   1274.000 332.9052 3.735715  332.9052 3.735715  0.000000       0.000000  
1 1 1 -9  0  15 o 177.4413 2.157741  16143.00   392.2000 16143.00  392.2000 16143.00   392.2000 177.4413 2.157741  177.4413 2.157741  0.000000       0.000000  
1 1 1 -9  0  16 o 140.4247 2.435393  10116.10   350.2000 10116.10  350.2000 10116.10   350.2000 140.4247 2.435393  140.4247 2.435393  0.000000       0.000000  
1 1 1 -9  0  17 o 211.3105 3.494500  22917.00   756.2000 22917.00  756.2000 22917.00   756.2000 211.3105 3.494500  211.3105 3.494500  0.000000       0.000000  
1 1 1 -9  0  18 o 209.5927 3.692105  22554.40   792.4000 22554.40  792.4000 22554.40   792.4000 209.5927 3.692105  209.5927 3.692105  -0.000000      0.000000  
1 1 1 -9  0  19 f 87.88966 1.591212  3962.600   143.2000 3962.600  143.2000 3962.600   143.2000 87.88966 1.591212  87.88966 1.591212  0.000000       0.000000  
1 1 1 -9  0  20 o 20.73612 1.291718  222.9000   27.20000 222.9000  27.20000 222.9000   27.20000 20.73612 1.291718  20.73612 1.291718  0.000000       0.000000  
1 1 1 -9  0  21 o 46.00346 1.223852  1086.800   57.60000 1086.800  57.60000 1086.800   57.60000 46.00346 1.223852  46.00346 1.223852  -0.000000      0.000000  
1 1 1 -9  0  22 o 72.53076 1.469286  2699.400   109.1000 2699.400  109.1000 2699.400   109.1000 72.53076 1.469286  72.53076 1.469286  -0.000000      0.000000  
1 1 1 -9  0  23 o 83.75378 1.524043  3598.700   130.7000 3598.700  130.7000 3598.700   130.7000 83.75378 1.524043  83.75378 1.524043  0.000000       0.000000  
1 1 1 -9  0  24 o 26.99466 1.077603  375.2000   29.70000 375.2000  29.70000 375.2000   29.70000 26.99466 1.077603  26.99466 1.077603  0.000000       0.000000  
1 1 1 -9  0  25 o 71.00212 1.576880  2587.700   114.6000 2587.700  114.6000 2587.700   114.6000 71.00212 1.576880  71.00212 1.576880  -0.000000      0.000000  
1 1 1 -9  0  26 o 5.626735 3.111077  22.30000   26.20000 22.30000  26.20000 22.30000   26.20000 5.626735 3.111077  5.626735 3.111077  -0.000000      0.000000  
1 1 1 -9  0  27 f 30.45332 1.658455  479.6000   51.40000 479.6000  51.40000 479.6000   51.40000 30.45332 1.658455  30.45332 1.658455  0.000000       0.000000  
1 1 1 -9  0  28 o 169.4382 2.074147  14728.70   360.0000 14728.70  360.0000 14728.70   360.0000 169.4382 2.074147  169.4382 2.074147  -0.000000      0.000000  
1 1 1 -9  0  29 f 18.98306 1.030006  186.3000   19.90000 186.3000  19.90000 186.3000   19.90000 18.98306 1.030006  18.98306 1.030006  -0.000000      0.000000  
1 1 1 -9  0  30 o 107.1516 1.344755  5888.300   147.6000 5888.300  147.6000 5888.300   147.6000 107.1516 1.344755  107.1516 1.344755  0.000000       0.000000  
1 1 1 -9  0  31 o 2.405584 1.681465  -15.40000  15.30000 -15.40000 15.30000 -15.40000  15.30000 2.405584 1.681465  2.405584 1.681465  -0.000000      0.000000  
1 1 1 -9  0  32 o 56.69157 0.8577023 1648.300   49.80000 1648.300  49.80000 1648.300   49.80000 56.69157 0.8577023 56.69157 0.8577023 0.000000       0.000000  
1 1 1 -9  0  33 f 49.47654 1.129561  1257.000   57.20000 1257.000  57.20000 1257.000   57.20000 49.47654 1.129561  49.47654 1.129561  0.000000       0.000000  
1 1 1 -9  0  34 o 81.81593 1.604501  3439.200   134.4000 3439.200  134.4000 3439.200   134.4000 81.81593 1.604501  81.81593 1.604501  0.000000       0.000000  
1 1 1 -9  0  35 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -9  1  1  o 116.2852 0.7032120 6928.411   83.79329 7068.100  169.1000 6791.200   166.1000 117.4451 1.405110  115.1216 1.408038  2.323540       1.989197  
1 1 1 -9  1  2  o 84.29216 0.5543659 3640.429   47.88308 3725.600  97.60000 3558.400   94.00000 85.26956 1.117011  83.33431 1.100793  1.935249       1.568266  
1 1 1 -9  1  3  o 201.3062 1.164178  20764.69   240.1458 20487.50  478.3000 21044.20   482.3000 199.9283 2.334682  202.6267 2.322855  -2.698471      3.293387  
1 1 1 -9  1  4  o 311.4307 1.770480  49703.82   565.0029 51185.50  1162.700 48303.20   1099.100 315.9268 3.591558  306.9105 3.494838  9.016266       5.011305  
1 1 1 -9  1  5  o 70.99153 0.4721590 2582.192   34.34735 2593.900  66.80000 2569.800   70.70000 71.15070 0.9162182 70.81912 0.9742502 0.3315811      1.337393  
1 1 1 -9  1  6  o 258.8440 1.475163  34333.14   391.2700 35136.10  807.7000 33578.70   758.9000 261.7877 3.010943  255.9265 2.893816  5.861160       4.176116  
1 1 1 -9  1  7  o 81.71347 0.5599223 3421.099   46.88348 3050.400  85.30000 3873.500   104.1000 77.15704 1.078885  86.94523 1.168440  -9.788185      1.590360  
1 1 1 -9  1  8  o 282.6228 1.598547  40932.30   462.9466 41733.80  938.1000 40151.40   914.0000 285.2935 3.208920  279.8340 3.187479  5.459473       4.522963  
1 1 1 -9  1  9  o 215.8687 1.262700  23878.16   279.3111 24303.60  567.2000 23465.40   550.3000 217.7426 2.542111  213.9561 2.510015  3.786453       3.572465  
1 1 1 -9  1  10 o 190.4760 1.111022  18590.51   216.8509 19520.10  448.1000 17718.80   420.2000 195.1511 2.240813  185.9301 2.205504  9.220963       3.144120  
1 1 1 -9  1  11 o 190.7857 1.120233  18651.13   219.0044 18617.90  433.8000 18685.00   442.3000 190.5869 2.221253  190.9286 2.260724  -0.3417358     3.169359  
1 1 1 -9  1  12 o 135.8653 0.9731787 9458.481   135.4876 9579.200  236.9000 9297.200   316.5000 136.7183 1.690987  134.6768 2.293415  2.041458       2.849418  
1 1 1 -9  1  13 o 195.3455 1.336768  19554.49   267.5826 18873.00  446.8000 20572.00   667.1000 191.8815 2.272384  200.2825 3.250495  -8.401001      3.966037  
1 1 1 -9  1  14 o 202.5041 1.403747  21014.73   291.2870 20639.90  493.3000 21555.20   711.3000 200.6511 2.399226  204.9919 3.386240  -4.340836      4.150049  
1 1 1 -9  1  15 o 119.7478 0.8694897 7347.532   106.6916 7071.400  178.1000 7760.100   266.1000 117.4663 1.479627  123.0373 2.110618  -5.571045      2.577597  
1 1 1 -9  1  16 f 69.71479 0.5802565 2490.219   41.45179 2467.500  70.90000 2522.200   99.80000 69.39301 0.9970850 70.15359 1.388297  -0.7605820     1.709253  
1 1 1 -9  1  17 o 186.9825 1.308235  17917.74   250.6601 18160.20  434.3000 17586.80   592.8000 188.1954 2.252073  185.1346 3.124801  3.060806       3.851781  
1 1 1 -9  1  18 o 156.6977 1.138641  12583.25   182.8302 11989.60  296.5000 13538.10   476.9000 152.9260 1.892104  162.4355 2.865155  -9.509491      3.433536  
1 1 1 -9  1  19 o 207.6974 1.418466  22111.04   301.8898 22578.30  529.5000 21491.30   702.3000 209.7935 2.463063  204.5734 3.350234  5.220139       4.158215  
1 1 1 -9  1  20 o 161.3822 1.160736  13347.99   191.9498 12927.10  320.8000 13975.00   477.9000 158.7706 1.971813  165.0018 2.826506  -6.231216      3.446329  
1 1 1 -9  1  21 o 130.4859 1.142114  8726.416   152.7113 9259.100  325.6000 8255.900   287.6000 134.3381 2.365304  126.8629 2.212360  7.475182       3.238703  
1 1 1 -9  1  22 o 151.1170 1.283546  11705.25   198.7573 12112.50  419.4000 11338.40   377.8000 153.6147 2.664387  148.6432 2.480382  4.971512       3.640227  
1 1 1 -9  1  23 o 87.89678 0.8481351 3959.134   76.38998 3988.100  160.1000 3932.700   146.1000 88.18844 1.771664  87.57964 1.627979  0.6087952      2.406056  
1 1 1 -9  1  24 o 128.3157 0.9558915 8438.044   125.6859 8738.900  306.4000 8228.800   213.1000 130.5019 2.291256  126.6823 1.641607  3.819580       2.818639  
1 1 1 -9  1  25 o 134.7187 0.9775063 9301.423   134.9416 9423.600  332.1000 9217.800   227.3000 135.5033 2.391776  134.0758 1.654439  1.427567       2.908223  
1 1 1 -9  1  26 o 37.81604 0.4683287 732.7421   18.14785 646.8000  43.00000 795.5000   31.40000 35.50274 1.183630  39.39976 0.7777459 -3.897018      1.416286  
1 1 1 -9  1  27 o 93.46342 0.7359113 4476.471   70.47994 4241.800  160.6000 4660.000   125.6000 90.94116 1.723402  95.34118 1.285614  -4.400017      2.150098  
1 1 1 -9  1  28 o 33.51429 0.5333127 575.5450   18.31514 439.0000  37.50000 705.9000   35.80000 29.23536 1.254691  37.09949 0.9424720 -7.864132      1.569236  
1 1 1 -9  1  29 o 84.24491 0.6558569 3637.004   56.61756 3522.700  129.5000 3725.800   100.6000 82.87347 1.524951  85.24909 1.151622  -2.375618      1.910944  
1 1 1 -9  1  30 o 119.8831 0.8677512 7366.647   106.5986 7803.600  264.2000 7071.100   178.7000 123.2609 2.091747  117.4054 1.485382  5.855568       2.565495  
1 1 1 -9  1  31 o 90.35926 0.7201423 4184.729   66.67905 4138.500  156.1000 4219.200   116.4000 89.78653 1.696654  90.69820 1.252437  -0.9116669     2.108847  
1 1 1 -9  1  32 o 96.86878 0.6508769 4809.427   64.60722 5066.300  134.3000 4571.300   124.5000 99.36616 1.318983  94.39050 1.287190  4.975655       1.842980  
1 1 1 -9  1  33 o 64.59848 0.7101568 2139.178   47.00834 2131.300  96.90000 2146.600   91.30000 64.42268 1.467867  64.66232 1.377911  -0.2396469     2.013274  
1 1 1 -9  1  34 o 75.57936 0.7629308 2928.884   59.08630 2896.600  120.0000 2960.200   116.4000 75.07177 1.559934  75.90095 1.496606  -0.8291779     2.161764  
1 1 1 -9  1  35 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -9  2  1  o 183.3515 1.054870  17225.63   198.1900 16903.70  386.3000 17564.80   407.0000 181.6075 2.075834  185.1226 2.145540  -3.515121      2.985369  
1 1 1 -9  2  2  o 81.66192 0.5307623 3416.779   44.41381 3766.000  93.50000 3100.800   84.60000 85.73084 1.064330  77.79182 1.061300  7.939026       1.503049  
1 1 1 -9  2  3  o 143.4414 0.8482636 10542.44   124.6820 10271.10  241.2000 10832.80   258.1000 141.5724 1.662648  145.3907 1.732420  -3.818268      2.401182  
1 1 1 -9  2  4  o 112.0817 0.6865385 6436.555   78.84933 6823.600  164.9000 6081.900   151.1000 115.3960 1.394542  108.9445 1.353508  6.451462       1.943381  
1 1 1 -9  2  5  o 199.1873 1.152802  20329.92   235.2962 20235.20  468.7000 20425.40   472.5000 198.6929 2.302047  199.6242 2.309884  -0.9313354     3.261132  
1 1 1 -9  2  6  o 72.85534 0.5098404 2719.567   38.06221 2866.400  78.60000 2581.700   73.80000 74.79400 1.025551  70.98256 1.014627  3.811440       1.442644  
1 1 1 -9  2  7  o 174.3674 1.028542  15578.80   183.7746 15944.20  368.1000 15214.50   367.0000 176.3794 2.036665  172.2949 2.078717  4.084503       2.910167  
1 1 1 -9  2  8  o 195.5220 1.333189  19589.35   267.1073 19894.90  469.8000 19186.70   619.1000 197.0129 2.327126  193.4418 3.123288  3.571152       3.894926  
1 1 1 -9  2  9  o 269.5973 1.806136  37248.82   498.9583 36309.70  836.1000 38638.70   1237.400 266.1118 3.066167  274.4045 4.400688  -8.292755      5.363528  
1 1 1 -9  2  10 o 152.0014 1.064637  11838.72   165.8241 11473.20  278.3000 12377.60   410.3000 149.6231 1.815165  155.3868 2.576849  -5.763733      3.151979  
1 1 1 -9  2  11 o 168.6408 1.165063  14572.86   201.3309 14153.90  338.1000 15189.60   497.7000 166.1802 1.985489  172.1229 2.821829  -5.942627      3.450346  
1 1 1 -9  2  12 o 212.1312 1.432197  23059.97   311.3190 22999.70  531.5000 23145.20   751.5000 211.8156 2.448765  212.4270 3.452398  -0.6114655     4.232670  
1 1 1 -9  2  13 o 273.4259 1.801471  38316.75   504.7373 38883.50  884.6000 37563.70   1175.400 275.3500 3.135187  270.5265 4.240113  4.823517       5.273325  
1 1 1 -9  2  14 o 83.52994 0.6526411 3574.978   55.86180 3711.800  99.00000 3397.800   128.2000 85.10925 1.135168  81.42490 1.536499  3.684341       1.910350  
1 1 1 -9  2  15 o 130.0055 0.9225076 8660.416   122.8938 8317.300  198.9000 9215.200   321.6000 127.3922 1.523679  134.0655 2.340997  -6.673248      2.793181  
1 1 1 -9  2  16 o 58.62203 0.4834731 1760.778   29.04234 1899.100  51.50000 1581.900   66.60000 60.87913 0.8255444 55.56004 1.169805  5.319088       1.431770  
1 1 1 -9  2  17 o 138.1001 1.030767  9773.105   145.8656 9943.000  263.2000 9561.900   327.2000 139.2685 1.844313  136.5502 2.338420  2.718262       2.978204  
1 1 1 -9  2  18 o 137.0167 0.9789935 9620.432   137.4521 9224.300  227.1000 10227.80   348.2000 134.1434 1.652150  141.2105 2.406375  -7.067093      2.918945  
1 1 1 -9  2  19 o 74.35692 0.6280940 2833.014   47.85688 3045.500  82.80000 2542.000   113.4000 77.08909 1.048188  70.41841 1.571551  6.670677       1.889039  
1 1 1 -9  2  20 f 115.5085 0.8680444 6837.157   102.7435 6854.900  177.9000 6812.900   243.2000 115.6373 1.501342  115.2548 2.059237  0.3825073      2.548428  
1 1 1 -9  2  21 o 94.43443 0.6163346 4569.525   59.64105 4875.800  128.1000 4302.700   111.6000 97.53226 1.281747  91.62386 1.188659  5.908401       1.748081  
1 1 1 -9  2  22 o 199.5363 1.169761  20406.62   239.1760 19912.60  471.6000 20915.00   485.3000 196.9985 2.336213  201.8949 2.345776  -4.896362      3.310673  
1 1 1 -9  2  23 o 100.3238 0.6933164 5157.444   71.27443 5126.100  139.9000 5190.000   145.3000 99.99914 1.365284  100.6188 1.409251  -0.6196289     1.962139  
1 1 1 -9  2  24 o 76.57621 0.5467120 3004.651   42.89936 3179.200  90.70000 2848.000   81.40000 78.75796 1.123866  74.54416 1.065645  4.213799       1.548765  
1 1 1 -9  2  25 o 122.2688 0.9105301 7661.446   114.0797 7808.300  284.6000 7563.200   190.4000 123.3542 2.251555  121.4539 1.529879  1.900291       2.722137  
1 1 1 -9  2  26 o 102.3522 0.7761650 5368.463   81.40475 5911.800  212.9000 5032.100   131.8000 107.3509 1.935404  99.07610 1.298220  8.274765       2.330486  
1 1 1 -9  2  27 o 34.71928 0.5133180 617.6641   18.26230 650.5000  46.20000 596.2000   30.20000 35.59870 1.268540  34.09664 0.8650632 1.502060       1.535425  
1 1 1 -9  2  28 o 133.2077 0.9574183 9094.963   130.6861 9262.400  316.5000 8977.200   222.6000 134.3003 2.299844  132.2912 1.642086  2.009125       2.825903  
1 1 1 -9  2  29 o 82.80022 0.6820834 3513.429   57.87184 3632.500  142.6000 3432.100   97.40000 84.14435 1.653850  81.81837 1.161742  2.325974       2.021105  
1 1 1 -9  2  30 o 52.17956 0.5084020 1395.199   27.18354 1237.800  60.90000 1522.100   49.10000 49.13056 1.209671  54.49258 0.8793175 -5.362019      1.495494  
1 1 1 -9  2  31 o 63.64497 0.5784602 2075.876   37.72558 2135.800  92.10000 2034.300   63.90000 64.51967 1.393058  62.98973 0.9899945 1.529938       1.709005  
1 1 1 -9  2  32 o 76.96503 1.060021  0.000000   0.000000 ?         ?        3038.100   83.60000 ?        ?         76.96503 1.060021  0.000000       1.060021  
1 1 1 -9  2  33 o 72.97256 1.455027  0.000000   0.000000 ?         ?        2734.800   108.8000 ?        ?         72.97256 1.455027  0.000000       1.455027  
1 1 1 -9  2  34 o 32.40484 1.022198  0.000000   0.000000 ?         ?        539.3000   33.90000 ?        ?         32.40484 1.022198  0.000000       1.022198  
1 1 1 -9  3  1  o 210.8019 1.208056  22770.42   260.9516 22789.40  510.8000 22750.60   533.5000 210.8528 2.364140  210.6686 2.471361  0.1842041      3.420056  
1 1 1 -9  3  2  o 237.5135 1.334637  28907.40   324.8253 29939.40  669.1000 27933.70   631.3000 241.6606 2.702009  233.4289 2.639264  8.231720       3.777111  
1 1 1 -9  3  3  o 276.6895 1.562168  39232.01   442.9133 39271.30  881.3000 39192.30   890.4000 276.7465 3.107730  276.4655 3.143010  0.2809753      4.420011  
1 1 1 -9  3  4  o 260.3645 1.711822  34740.42   456.7082 34849.50  786.8000 34589.50   1088.600 260.7122 2.945131  259.6530 4.091444  1.059235       5.041202  
1 1 1 -9  3  5  o 325.2814 2.105297  54230.44   701.7315 55381.50  1221.900 52677.60   1648.400 328.5990 3.628867  320.3206 5.022031  8.278412       6.195924  
1 1 1 -9  3  6  o 230.3890 1.532575  27200.40   361.8111 27908.00  630.4000 26247.20   849.2000 233.3225 2.636703  226.2137 3.663470  7.108795       4.513669  
1 1 1 -9  3  7  o 400.2015 2.579058  82104.32   1057.641 85252.70  1872.500 78017.90   2430.400 407.5748 4.483489  389.6234 6.087434  17.95135       7.560326  
1 1 1 -9  3  8  o 258.2133 1.705571  34169.08   451.2808 34883.10  787.5000 33210.70   1057.000 260.8333 2.946383  254.4200 4.054389  6.413269       5.011910  
1 1 1 -9  3  9  o 161.1089 1.127405  13300.13   186.1221 13626.70  329.4000 12875.90   427.9000 163.0561 1.971461  158.4792 2.634945  4.576904       3.290835  
1 1 1 -9  3  10 o 166.9500 1.155648  14282.17   197.7017 14395.10  340.3000 14125.60   471.8000 167.5890 1.981609  165.9844 2.773909  1.604599       3.409009  
1 1 1 -9  3  11 o 319.6131 2.073873  52359.70   679.2118 52072.20  1155.600 52769.60   1647.600 318.6085 3.539581  320.5406 5.016148  -1.932098      6.139248  
1 1 1 -9  3  12 o 241.7149 1.606772  29942.82   397.9752 29506.60  667.6000 30586.70   985.4000 239.8875 2.715879  244.1345 3.938992  -4.247009      4.784523  
1 1 1 -9  3  13 o 240.6252 1.600905  29674.23   394.7344 30045.60  682.5000 29164.80   936.2000 242.0560 2.751620  238.3834 3.832607  3.672607       4.718081  
1 1 1 -9  3  14 o 89.52375 1.594805  0.000000   0.000000 ?         ?        4107.600   146.3000 ?        ?         89.52375 1.594805  0.000000       1.594805  
1 1 1 -9  3  15 o 236.3828 1.569567  28638.85   380.1842 27673.20  628.4000 30117.90   962.5000 232.2874 2.640051  242.1887 3.878364  -9.901306      4.691649  
1 1 1 -9  3  16 o 240.8573 1.627097  29735.60   401.5797 28472.80  660.8000 31691.90   1023.700 235.5938 2.737208  248.3784 4.022171  -12.78456      4.865200  
1 1 1 -9  3  17 o 69.06120 0.4894771 2443.746   34.63896 2301.300  65.20000 2605.200   73.90000 67.01401 0.9494751 71.30083 1.011467  -4.286819      1.387288  
1 1 1 -9  3  18 f 219.6681 1.281747  24731.81   288.5146 25337.80  585.5000 24143.10   568.8000 222.2243 2.571206  216.9235 2.558908  5.300842       3.627548  
1 1 1 -9  3  19 o 41.51876 0.3968723 883.2294   16.88471 1012.300  36.80000 773.8000   31.20000 44.44639 0.8080029 38.85960 0.7835342 5.586796       1.125520  
1 1 1 -9  3  20 o 145.1745 0.9121186 10800.41   135.6876 11079.40  285.6000 10547.90   258.5000 146.9863 1.896195  143.4264 1.758867  3.559845       2.586343  
1 1 1 -9  3  21 o 72.09960 0.5011185 2663.563   37.02301 2693.500  76.10000 2635.200   72.10000 72.49601 1.024406  71.70795 0.9812272 0.7880554      1.418526  
1 1 1 -9  3  22 o 27.56362 0.3862150 389.2771   10.90847 318.3000  21.00000 466.0000   22.70000 24.90897 0.8238783 30.15617 0.7346007 -5.247196      1.103818  
1 1 1 -9  3  23 o 116.6077 0.7307163 6967.711   87.31209 7313.100  182.5000 6650.900   167.4000 119.4336 1.491208  113.9007 1.434269  5.532875       2.069016  
1 1 1 -9  3  24 o 145.2035 0.8959404 10805.10   133.3075 10537.60  263.6000 11078.80   269.7000 143.3421 1.794623  146.9773 1.790739  -3.635162      2.535235  
1 1 1 -9  3  25 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -9  3  26 o 108.6881 0.6960579 6053.507   77.52215 6029.700  159.2000 6076.100   151.1000 108.4441 1.432646  108.8647 1.354500  -0.4206467     1.971584  
1 1 1 -9  3  27 o 214.5328 1.276862  23596.20   280.6958 23550.00  553.7000 23643.70   569.3000 214.1177 2.523617  214.5286 2.589748  -0.4109039     3.615998  
1 1 1 -9  3  28 o 90.32983 0.7367609 4181.577   68.19556 3949.700  161.2000 4351.600   118.2000 87.73526 1.793050  92.12604 1.252093  -4.390778      2.186954  
1 1 1 -9  3  29 o 62.06382 0.5619186 1973.877   35.73635 1935.900  87.10000 2000.300   60.60000 61.43709 1.383532  62.46795 0.9467101 -1.030857      1.676431  
1 1 1 -9  3  30 o 52.73760 0.5491278 1425.260   29.67510 1566.900  81.40000 1344.000   46.70000 55.24565 1.439123  51.20399 0.8900506 4.041660       1.692119  
1 1 1 -9  3  31 o 57.44210 0.8817362 0.000000   0.000000 ?         ?        1691.600   51.90000 ?        ?         57.44210 0.8817362 0.000000       0.8817362 
1 1 1 -9  3  32 f 56.14979 0.9124579 0.000000   0.000000 ?         ?        1616.700   52.50000 ?        ?         56.14979 0.9124579 0.000000       0.9124579 
1 1 1 -9  3  33 o 79.44229 1.646094  0.000000   0.000000 ?         ?        3244.300   134.0000 ?        ?         79.44229 1.646094  0.000000       1.646094  
1 1 1 -9  3  34 o 51.29893 1.342319  0.000000   0.000000 ?         ?        1352.700   70.50000 ?        ?         51.29893 1.342319  0.000000       1.342319  
1 1 1 -9  4  1  o 227.7675 1.473760  26585.43   343.9670 26209.40  583.5000 27125.40   837.9000 226.1050 2.518444  229.9517 3.555963  -3.846664      4.357457  
1 1 1 -9  4  2  o 192.4247 1.250897  18973.78   246.6497 18954.60  422.4000 19000.70   592.8000 192.2999 2.143613  192.4934 3.005342  -0.1934662     3.691499  
1 1 1 -9  4  3  o 217.4332 1.420203  24227.10   316.4278 24086.80  541.8000 24424.10   760.7000 216.7632 2.439243  218.2187 3.401911  -1.455536      4.186037  
1 1 1 -9  4  4  o 353.5754 2.265666  64082.29   820.8738 65008.90  1425.900 62825.10   1934.600 355.9562 3.909257  349.7034 5.398747  6.252808       6.665491  
1 1 1 -9  4  5  o 66.30373 0.4940219 2252.444   33.56468 2134.300  56.40000 2426.100   82.90000 64.54001 0.8528089 68.80856 1.175746  -4.268547      1.452468  
1 1 1 -9  4  6  o 111.6620 0.7694421 6388.556   88.03989 6180.200  146.6000 6701.800   220.4000 109.8204 1.302725  114.3511 1.880932  -4.530693      2.288012  
1 1 1 -9  4  7  o 369.1080 2.376766  69840.43   898.9557 68506.60  1508.700 71806.90   2224.300 365.3836 4.029540  373.7730 5.807471  -8.389404      7.068515  
1 1 1 -9  4  8  o 101.0223 0.7561206 5229.101   78.27203 5213.200  129.7000 5253.300   197.4000 100.8636 1.254894  101.2407 1.902803  -0.3770447     2.279346  
1 1 1 -9  4  9  o 164.7218 1.137362  13903.63   191.9765 13277.40  321.6000 14831.10   476.3000 160.9487 1.949980  170.0732 2.733042  -9.124496      3.357371  
1 1 1 -9  4  10 o 239.8554 1.585672  29484.03   389.7277 29415.60  665.6000 29580.70   940.3000 239.5134 2.711971  240.0894 3.822038  -0.5760040     4.686445  
1 1 1 -9  4  11 o 89.91521 0.6543384 4142.445   60.28843 4369.400  109.2000 3862.700   134.6000 92.34058 1.154069  86.81657 1.513018  5.524002       1.902918  
1 1 1 -9  4  12 o 99.18931 0.7223771 5041.124   73.42217 5524.100  138.0000 4492.000   156.9000 103.8244 1.297123  93.61829 1.635550  10.20612       2.087475  
1 1 1 -9  4  13 o 67.04597 0.4751759 2303.179   32.64566 2576.900  70.10000 2064.600   61.10000 70.91467 0.9646807 63.47559 0.9393688 7.439079       1.346485  
1 1 1 -9  4  14 o 266.9110 1.506683  36513.66   412.0849 37231.90  841.0000 35823.60   808.0000 269.3760 3.046763  264.2401 2.984106  5.135895       4.264699  
1 1 1 -9  4  15 o 60.92466 0.4502537 1901.823   28.10922 1990.800  59.60000 1822.400   53.20000 62.32991 0.9331498 59.63605 0.8705714 2.693863       1.276191  
1 1 1 -9  4  16 o 137.9042 0.8372325 9745.050   118.3102 9678.800  234.0000 9812.800   239.3000 137.4066 1.661919  138.3533 1.687931  -0.9467163     2.368774  
1 1 1 -9  4  17 o 146.5546 0.9007289 11006.42   135.2671 10814.60  261.6000 11211.80   280.1000 145.2351 1.757793  147.8728 1.848530  -2.637680      2.550862  
1 1 1 -9  4  18 o 191.5997 1.110416  18814.35   218.0114 19270.10  443.6000 18373.90   428.7000 193.8176 2.233572  189.2593 2.210537  4.558243       3.142502  
1 1 1 -9  4  19 o 116.2190 0.7275887 6921.202   86.64858 7007.400  174.0000 6835.700   172.6000 116.9168 1.452359  115.4753 1.458658  1.441536       2.058405  
1 1 1 -9  4  20 o 126.1968 0.8128944 8160.966   105.1189 8413.000  231.0000 7950.500   192.9000 128.0889 1.759957  124.5319 1.511657  3.557083       2.320034  
1 1 1 -9  4  21 o 107.6111 0.6830973 5933.888   75.32478 5971.200  150.9000 5896.700   150.4000 107.9277 1.364451  107.2521 1.368496  0.6755600      1.932487  
1 1 1 -9  4  22 o 170.4073 1.023270  14882.55   178.6803 15573.60  376.1000 14257.10   340.4000 174.2326 2.106568  166.7171 1.992558  7.515533       2.899641  
1 1 1 -9  4  23 o 68.78927 0.4936875 2424.611   34.79936 2646.800  75.30000 2233.700   64.70000 71.86328 1.022562  66.01878 0.9563974 5.844498       1.400117  
1 1 1 -9  4  24 o 72.12295 0.6117885 2665.434   45.21402 2501.400  102.5000 2794.900   80.90000 69.84952 1.432063  73.84460 1.069132  -3.995079      1.787134  
1 1 1 -9  4  25 o 79.47179 0.6572607 3236.378   53.52406 3104.000  122.1000 3339.700   95.30000 77.80377 1.531499  80.71790 1.152191  -2.914131      1.916516  
1 1 1 -9  4  26 f 56.56868 0.5229770 1639.710   30.31496 1744.600  77.00000 1571.600   50.00000 58.33407 1.288161  55.37588 0.8811524 2.958195       1.560701  
1 1 1 -9  4  27 f 117.0121 0.8823965 7017.507   105.8018 7252.300  274.9000 6870.600   172.0000 118.8374 2.257475  115.7461 1.450185  3.091309       2.683139  
1 1 1 -9  4  28 o 53.84623 0.4815468 1485.700   26.57004 1389.600  60.30000 1561.400   47.50000 52.06158 1.130320  55.19424 0.8398495 -3.132656      1.408180  
1 1 1 -9  4  29 o 12.14119 0.7878579 75.87154   9.748905 82.80000  25.20000 71.50000   15.90000 12.53804 2.030837  11.72987 1.347266  0.8081703      2.437093  
1 1 1 -9  4  30 o 47.85447 0.4831855 1173.515   23.69380 1265.600  55.40000 1104.700   41.40000 49.67907 1.088273  46.42117 0.8703340 3.257900       1.393492  
1 1 1 -9  4  31 o 39.51522 0.8075788 0.000000   0.000000 ?         ?        800.5000   32.70000 ?        ?         39.51522 0.8075788 0.000000       0.8075788 
1 1 1 -9  4  32 o 28.58858 0.5344772 418.8852   15.65742 389.6000  30.30000 450.2000   32.40000 27.53651 1.075900  29.60418 1.069814  -2.067669      1.517255  
1 1 1 -9  4  33 o 64.99014 0.6810818 2165.397   45.35709 2238.000  96.10000 2100.500   85.90000 66.00090 1.420938  63.95432 1.310765  2.046581       1.933176  
1 1 1 -9  5  1  o 69.66155 0.6220699 2486.429   44.40488 2341.700  95.10000 2613.200   83.30000 67.59730 1.372944  71.41120 1.138362  -3.813904      1.783492  
1 1 1 -9  5  2  o 57.55361 0.4243201 1697.161   25.02445 2037.700  51.70000 1377.700   48.50000 63.06216 0.8000614 51.85265 0.9127932 11.20951       1.213791  
1 1 1 -9  5  3  o 188.8525 1.225417  18276.43   237.1401 18854.60  420.7000 17529.50   543.5000 191.7811 2.140761  184.8790 2.868888  6.902130       3.579578  
1 1 1 -9  5  4  o 229.6870 1.488609  27036.76   350.3608 27178.90  603.7000 26840.20   834.9000 230.2312 2.558931  228.7094 3.562477  1.521790       4.386271  
1 1 1 -9  5  5  o 99.49752 0.7049264 5072.457   71.87112 5229.400  126.4000 4865.600   166.6000 101.0191 1.221083  97.43449 1.668645  3.584633       2.067709  
1 1 1 -9  5  6  o 68.56580 0.5042285 2408.777   35.42691 2576.700  65.40000 2210.300   77.30000 70.91315 0.9000210 65.67608 1.148613  5.237068       1.459229  
1 1 1 -9  5  7  o 138.1459 0.9431965 9778.945   133.5176 9523.400  227.6000 10141.60   323.0000 136.3142 1.629419  140.6485 2.241140  -4.334320      2.770869  
1 1 1 -9  5  8  o 141.1166 0.9781478 10204.16   141.4428 10361.00  242.2000 9984.000   340.0000 142.1805 1.662401  139.5441 2.377767  2.636429       2.901267  
1 1 1 -9  5  9  o 80.81697 0.5283656 3346.492   43.75579 3103.700  80.90000 3632.500   95.30000 77.82619 1.014435  84.19440 1.104616  -6.368202      1.499752  
1 1 1 -9  5  10 o 234.3353 1.316714  28141.72   316.1750 27940.80  632.4000 28342.60   632.3000 233.4105 2.644071  235.0845 2.624828  -1.673965      3.725699  
1 1 1 -9  5  11 o 85.73526 0.5425160 3766.229   47.66179 3983.200  98.10000 3561.200   92.70000 88.16436 1.085869  83.36336 1.085191  4.801003       1.535172  
1 1 1 -9  5  12 o 120.5053 0.7452098 7440.812   92.02020 7647.100  196.2000 7258.600   173.3000 122.1453 1.567559  119.0064 1.421117  3.138878       2.115849  
1 1 1 -9  5  13 o 133.7830 0.8055826 9171.089   110.4357 8851.500  213.3000 9514.200   229.0000 131.4094 1.584040  136.2376 1.640364  -4.828217      2.280346  
1 1 1 -9  5  14 o 73.62183 0.5037723 2777.176   38.00487 2667.900  74.30000 2891.600   77.80000 72.15343 1.004925  75.11744 1.010742  -2.964012      1.425298  
1 1 1 -9  5  15 o 82.80825 0.5553585 3513.541   47.12435 3658.700  93.90000 3367.300   94.60000 84.49345 1.084537  81.05780 1.138932  3.435646       1.572701  
1 1 1 -9  5  16 o 93.31052 0.6034691 4461.365   57.70108 4394.700  113.1000 4530.800   117.8000 92.59896 1.191950  94.02103 1.222706  -1.422066      1.707558  
1 1 1 -9  5  17 o 138.6267 0.8282571 9847.791   117.6551 10177.00  240.0000 9531.200   230.8000 140.8873 1.662421  136.3445 1.651960  4.542801       2.343633  
1 1 1 -9  5  18 o 203.3734 1.189887  21199.20   247.9695 21573.30  490.5000 20816.70   501.5000 205.0506 2.334424  201.4106 2.429910  3.639908       3.369569  
1 1 1 -9  5  19 o 186.4618 1.097767  17819.40   209.7483 18062.30  418.3000 17575.10   420.7000 187.6369 2.175561  185.0842 2.218221  2.552689       3.107019  
1 1 1 -9  5  20 o 73.33762 0.5979990 2755.921   44.93924 2855.500  116.4000 2693.300   73.20000 74.62971 1.522099  72.49321 0.9854064 2.136497       1.813232  
1 1 1 -9  5  21 o 120.7666 0.8819508 7474.175   109.1414 7131.200  253.6000 7733.300   191.6000 117.8992 2.099134  122.8139 1.522473  -4.914734      2.593123  
1 1 1 -9  5  22 o 119.5454 0.9227199 7324.021   113.0319 7506.900  268.9000 7191.400   195.0000 120.9558 2.169530  118.4261 1.606900  2.529770       2.699813  
1 1 1 -9  5  23 o 88.46292 0.6980353 4010.151   63.27571 4036.800  153.2000 3991.400   107.8000 88.72196 1.685114  88.24226 1.192185  0.4796982      2.064198  
1 1 1 -9  5  24 o 41.89378 0.4723652 899.2937   20.27803 840.9000  48.40000 941.4000   34.90000 40.48588 1.167878  42.86025 0.7946435 -2.374371      1.412585  
1 1 1 -9  5  25 o 59.48062 0.5337152 1812.877   32.52996 1934.600  78.80000 1727.300   55.40000 61.42947 1.251847  58.05306 0.9312928 3.376404       1.560265  
1 1 1 -9  5  26 o 51.53095 0.4952458 1360.672   26.15094 1564.400  69.30000 1237.200   42.00000 55.23841 1.224317  49.13226 0.8342268 6.106148       1.481515  
1 1 1 -9  5  27 o 68.23620 0.5922608 2386.030   41.41200 2294.100  98.60000 2452.600   71.40000 66.87937 1.438753  69.16979 1.007357  -2.290421      1.756354  
1 1 1 -9  5  28 o 145.5023 0.9162775 10852.50   136.6140 10492.90  270.8000 11218.60   275.7000 142.9594 1.848576  147.8251 1.820079  -4.865662      2.594209  
1 1 1 -9  5  29 o 80.84817 0.5508569 3349.686   45.63598 3172.300  89.70000 3533.400   92.90000 78.65175 1.112976  83.00894 1.092176  -4.357193      1.559347  
1 1 1 -9  5  30 o 44.21870 0.4010398 1001.942   18.17155 919.5000  33.80000 1097.800   39.30000 42.35202 0.7788329 46.27477 0.8288003 -3.922749      1.137317  
1 1 1 -9  5  31 o 70.32395 0.5251310 2534.586   37.84158 2370.800  73.50000 2708.400   78.00000 67.98244 1.055097  72.66237 1.047579  -4.679924      1.486825  
1 1 1 -9  5  32 o 42.26174 0.5690489 915.4823   24.64310 991.8000  53.90000 851.2000   45.40000 43.93935 1.198236  40.71318 1.089213  3.226166       1.619307  
1 1 1 -9  5  33 o 65.08035 0.6884037 2171.593   45.90833 2032.200  90.10000 2316.400   93.60000 62.88686 1.398191  67.14559 1.360379  -4.258732      1.950787  
1 1 1 -9  6  1  o 113.1973 2.096666  6570.000   243.2000 6570.000  243.2000 ?          ?        113.1973 2.096666  ?        ?         0.000000       2.096666  
1 1 1 -9  6  2  o 50.11025 0.4880389 1286.585   25.05990 1308.400  62.80000 1272.100   41.70000 50.52815 1.212908  49.82560 0.8167425 0.7025490      1.462263  
1 1 1 -9  6  3  o 155.0411 1.021695  12317.87   162.3179 13192.30  301.0000 11294.40   352.3000 160.4200 1.831089  148.4087 2.316620  12.01131       2.952900  
1 1 1 -9  6  4  o 97.87615 0.6793567 4908.561   68.13545 5084.400  124.5000 4696.000   150.5000 99.60567 1.219795  95.71902 1.534405  3.886658       1.960178  
1 1 1 -9  6  5  o 133.0866 0.7805841 9075.689   106.4517 8555.700  205.9000 9632.300   220.4000 129.1992 1.555243  137.0867 1.568981  -7.887573      2.209182  
1 1 1 -9  6  6  o 251.4885 1.411076  32414.87   363.6360 33050.70  746.4000 31810.80   709.1000 253.8150 2.869828  249.0189 2.778925  4.796127       3.994789  
1 1 1 -9  6  7  o 265.6082 1.499511  36158.71   408.1216 35860.20  818.6000 36455.50   813.9000 264.3591 3.021894  266.5498 2.979849  -2.190765      4.243977  
1 1 1 -9  6  8  o 20.87384 0.3282580 223.2447   7.021276 212.9000  13.20000 235.0000   15.00000 20.37414 0.6330289 21.40476 0.6847653 -1.030617      0.9325391 
1 1 1 -9  6  9  o 47.56643 0.3875099 1159.261   18.88782 1018.200  31.40000 1372.200   47.40000 44.57732 0.6874123 51.74798 0.8938952 -7.170654      1.127645  
1 1 1 -9  6  10 o 121.1166 0.7236393 7516.558   89.80990 7023.900  172.8000 8049.700   187.0000 117.0629 1.440543  125.3193 1.456214  -8.256439      2.048346  
1 1 1 -9  6  11 o 90.98978 0.5668455 4242.110   52.85130 3998.600  101.9000 4504.500   109.8000 88.33114 1.125802  93.75219 1.142938  -5.421051      1.604287  
1 1 1 -9  6  12 o 197.0407 1.124316  19897.56   227.0087 20407.50  457.9000 19396.20   450.2000 199.4679 2.240264  194.4609 2.259304  5.006958       3.181704  
1 1 1 -9  6  13 o 16.25851 0.4789785 135.5596   7.971160 160.5000  15.60000 109.5000   16.30000 17.67655 0.8638650 14.57574 1.099442  3.100819       1.398226  
1 1 1 -9  6  14 o 180.1080 1.041945  16624.66   192.2987 16658.70  385.6000 16590.80   383.6000 180.2183 2.088044  179.8513 2.081453  0.3670197      2.948283  
1 1 1 -9  6  15 o 114.0116 0.6851262 6660.699   80.04198 6351.600  151.9000 7005.000   169.2000 111.3157 1.331690  116.8977 1.412524  -5.582077      1.941294  
1 1 1 -9  6  16 o 92.86794 0.6812304 4419.308   64.82734 4540.800  160.4000 4336.900   108.8000 94.10660 1.663359  91.98722 1.154258  2.119377       2.024617  
1 1 1 -9  6  17 o 60.46655 0.4995272 1873.393   30.95086 1932.000  75.20000 1832.400   52.60000 61.39496 1.195327  59.79726 0.8584324 1.597702       1.471636  
1 1 1 -9  6  18 o 21.33396 0.5038646 233.2079   11.01498 315.0000  26.60000 175.4000   18.80000 24.76917 1.050410  18.47298 0.9968604 6.296194       1.448134  
1 1 1 -9  6  19 f 28.98265 0.3972249 430.3930   11.79704 333.5000  24.80000 518.3000   22.50000 25.49196 0.9510694 31.80354 0.6904126 -6.311579      1.175246  
1 1 1 -9  6  20 o 126.6680 0.9092762 8222.688   118.0215 8577.600  298.5000 7990.600   195.2000 129.2873 2.253150  124.8384 1.525925  4.448914       2.721237  
1 1 1 -9  6  21 o 33.83811 0.4419546 586.6892   15.32435 520.8000  34.30000 639.9000   27.70000 31.85935 1.052095  35.33708 0.7649812 -3.477728      1.300807  
1 1 1 -9  6  22 o 66.22617 0.5691304 2247.378   38.62245 2197.900  90.10000 2284.500   67.60000 65.47647 1.342892  66.76342 0.9881201 -1.286949      1.667256  
1 1 1 -9  6  23 o 165.0130 1.134973  13957.64   191.9119 13782.90  456.9000 14084.20   330.9000 163.7909 2.722282  165.6822 1.949048  -1.891373      3.348075  
1 1 1 -9  6  24 o 102.8971 0.7662309 5426.011   80.79069 5763.200  208.5000 5212.700   131.9000 105.9780 1.919959  100.8325 1.276574  5.145546       2.305620  
1 1 1 -9  6  25 o 114.0168 0.7262721 6662.144   84.85287 6860.100  174.8000 6475.400   164.9000 115.6534 1.474975  112.3671 1.432132  3.286278       2.055859  
1 1 1 -9  6  26 o 32.27474 0.4024983 533.7421   13.31145 507.7000  25.80000 561.5000   27.50000 31.46334 0.8008841 33.09899 0.8108109 -1.635651      1.139662  
1 1 1 -9  6  27 o 44.73169 0.3889268 1025.274   17.82713 1170.100  37.60000 894.7000   33.90000 47.78011 0.7679667 41.78008 0.7918302 6.000027       1.103072  
1 1 1 -9  6  28 o 94.47388 0.6305658 4574.248   61.04366 4829.100  127.4000 4339.800   117.2000 97.02536 1.281403  91.98190 1.243446  5.043457       1.785540  
1 1 1 -9  6  29 o 69.47724 0.4854721 2473.694   34.56251 2637.100  73.30000 2327.900   65.40000 71.71070 0.9975201 67.37860 0.9472343 4.332100       1.375609  
1 1 1 -9  6  30 o 24.51754 0.3984749 308.0341   10.01097 271.6000  19.30000 347.3000   20.80000 23.00080 0.8201846 26.01510 0.7811449 -3.014299      1.132647  
1 1 1 -9  6  31 o 32.78482 0.5536222 550.9238   18.59879 629.2000  37.50000 473.9000   36.90000 35.00257 1.046697  30.36130 1.188358  4.641277       1.583594  
1 1 1 -9  6  32 o 36.10370 0.5373706 668.1329   19.88035 697.9000  42.70000 642.2000   37.20000 36.85408 1.132033  35.36060 1.027747  1.493484       1.528974  
1 1 1 -9  7  1  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -9  7  2  o 38.87798 0.5843595 774.4795   23.27996 830.6000  44.60000 713.2000   48.70000 40.24353 1.082518  37.28084 1.276692  2.962696       1.673854  
1 1 1 -9  7  3  o 170.6937 1.173434  14932.71   205.2459 14932.00  498.9000 14933.20   348.7000 170.5590 2.854569  170.6463 1.994145  -0.8732605E-01 3.482123  
1 1 1 -9  7  4  o 133.4688 0.7708328 9128.220   105.4237 9091.400  206.3000 9166.700   215.6000 133.1741 1.511753  133.7217 1.573434  -0.5475311     2.181993  
1 1 1 -9  7  5  o 170.2602 0.9840087 14855.57   171.6764 15510.00  356.2000 14246.70   331.4000 173.9110 1.998796  166.6823 1.940281  7.228683       2.785655  
1 1 1 -9  7  6  o 181.8870 1.062607  16954.42   198.0490 17363.90  397.0000 16546.80   395.2000 184.0015 2.105576  179.6164 2.147201  4.385101       3.007311  
1 1 1 -9  7  7  o 72.81075 0.4632359 2716.320   34.56178 2824.500  71.50000 2615.100   66.90000 74.24073 0.9398649 71.43615 0.9139232 2.804581       1.310954  
1 1 1 -9  7  8  o 126.6752 0.7567288 8222.628   98.22686 8593.100  200.9000 7868.200   192.2000 129.4710 1.514290  123.8897 1.513979  5.581261       2.141309  
1 1 1 -9  7  9  o 83.14553 0.5430018 3542.236   46.26350 3268.300  90.00000 3832.000   95.20000 79.85690 1.099845  86.47035 1.074413  -6.613449      1.537538  
1 1 1 -9  7  10 o 33.00301 0.3235461 558.0677   10.94178 587.4000  22.50000 530.3000   21.30000 33.85786 0.6485219 32.17018 0.6461416 1.687679       0.9154669 
1 1 1 -9  7  11 o 110.6515 0.6655224 6273.844   75.46028 6050.000  144.7000 6517.800   157.7000 108.6418 1.299790  112.7612 1.364814  -4.119438      1.884721  
1 1 1 -9  7  12 o 62.30427 0.4677784 1988.977   29.86457 2259.600  67.60000 1774.800   53.50000 66.40086 0.9935154 58.84972 0.8871785 7.551144       1.331975  
1 1 1 -9  7  13 o 82.26582 0.6032763 3467.773   50.85504 3228.900  115.6000 3655.400   90.80000 79.36382 1.421467  84.45348 1.049228  -5.089661      1.766762  
1 1 1 -9  7  14 o 233.6653 1.538368  27992.81   368.3434 28304.60  900.5000 27777.00   623.3000 234.5777 3.746266  232.6163 2.614921  1.961349       4.568624  
1 1 1 -9  7  15 o 111.2064 0.7868361 6337.331   89.66282 6276.400  217.4000 6380.100   152.6000 110.6211 1.917888  111.5621 1.334872  -0.9409714     2.336702  
1 1 1 -9  7  16 o 11.32680 0.8214430 66.09184   9.469388 30.70000  23.20000 90.50000   16.00000 7.854065 2.533526  13.23407 1.192636  -5.380003      2.800202  
1 1 1 -9  7  17 o 191.9255 1.288533  18882.33   253.4116 19031.90  613.6000 18777.10   431.7000 192.4466 3.111549  191.2960 2.202307  1.150589       3.812072  
1 1 1 -9  7  18 o 141.6023 0.9764565 10276.40   141.6843 10045.60  341.2000 10440.30   242.3000 139.8982 2.380119  142.6863 1.657192  -2.788147      2.900215  
1 1 1 -9  7  19 o 40.87331 0.4346264 856.0026   18.20347 842.7000  43.70000 865.5000   31.20000 40.53465 1.052991  41.09698 0.7408773 -0.5623322     1.287513  
1 1 1 -9  7  20 o 139.1046 0.9598429 9917.227   136.8170 10320.60  337.7000 9642.500   230.0000 141.7951 2.324189  137.1225 1.636895  4.672623       2.842759  
1 1 1 -9  7  21 o 36.92451 0.4811233 698.6096   18.20411 805.7000  48.90000 635.1000   29.00000 39.62657 1.205673  35.20348 0.8039224 4.423096       1.449116  
1 1 1 -9  7  22 o 125.4231 0.7699465 8061.714   98.95473 8373.200  207.1000 7776.700   189.5000 127.7741 1.581753  123.1449 1.501739  4.629234       2.181092  
1 1 1 -9  7  23 o 100.2806 0.6264310 5153.227   64.37072 4974.000  127.7000 5335.400   129.8000 98.49432 1.265265  102.0111 1.241735  -3.516808      1.772794  
1 1 1 -9  7  24 o 70.44176 0.4956107 2542.627   35.77414 2477.000  71.20000 2608.900   71.90000 69.51352 0.9995679 71.34088 0.9835400 -1.827362      1.402315  
1 1 1 -9  7  25 o 39.60497 0.3798008 803.7184   15.41359 799.0000  32.40000 808.0000   29.40000 39.48286 0.8008258 39.70598 0.7225918 -0.2231178     1.078638  
1 1 1 -9  7  26 o 130.5622 0.7973654 8737.528   106.6776 9093.000  220.0000 8402.900   207.1000 133.1038 1.612998  127.9579 1.579482  5.145927       2.257548  
1 1 1 -9  7  27 o 29.92304 0.3488414 458.7982   10.69626 502.5000  21.80000 416.7000   21.00000 31.31153 0.6794443 28.50363 0.7195618 2.807899       0.9896533 
1 1 1 -9  7  28 o 47.14599 0.3955172 1139.000   19.10770 1123.800  36.50000 1155.700   40.10000 46.82074 0.7607749 47.47830 0.8242345 -0.6575546     1.121669  
1 1 1 -9  7  29 o 63.03521 0.4401464 2036.259   28.43012 2123.200  60.80000 1959.900   53.40000 64.34216 0.9221670 61.82336 0.8429277 2.518795       1.249367  
1 1 1 -9  7  30 o 68.05632 0.5588838 2374.072   38.97520 2318.000  96.90000 2411.800   65.20000 67.16998 1.407830  68.56883 0.9279454 -1.398849      1.686140  
1 1 1 -9  7  31 o 51.01038 0.5421665 1333.784   28.33933 1343.100  55.60000 1324.100   57.80000 51.15488 1.060692  50.78745 1.110639  0.3674278      1.535769  
1 1 1 -9  8  1  o 148.1905 2.545911  0.000000   0.000000 ?         ?        11272.20   386.6000 ?        ?         148.1905 2.545911  0.000000       2.545911  
1 1 1 -9  8  2  o 155.2621 2.753654  0.000000   0.000000 ?         ?        12377.30   438.1000 ?        ?         155.2621 2.753654  0.000000       2.753654  
1 1 1 -9  8  3  o 160.1127 0.9437718 13137.97   154.8428 13860.70  462.4000 12774.10   232.8000 164.3046 2.746439  157.8537 1.439228  6.450806       3.100694  
1 1 1 -9  8  4  o 78.31686 0.4863241 3142.735   39.02828 2930.900  72.60000 3389.000   84.40000 75.62458 0.9368612 81.31847 1.012873  -5.693893      1.379717  
1 1 1 -9  8  5  o 19.98419 0.3905281 204.6256   7.997187 195.5000  15.70000 214.1000   16.30000 19.51638 0.7866705 20.42541 0.7802212 -0.9090271     1.107969  
1 1 1 -9  8  6  o 87.23204 0.5343267 3899.018   47.76187 3803.300  92.90000 4000.300   98.30000 86.14471 1.052419  88.34668 1.085838  -2.201973      1.512161  
1 1 1 -9  8  7  o 78.66016 0.4983957 3170.359   40.17237 3122.400  79.70000 3219.100   81.00000 78.05473 0.9964619 79.25417 0.9973889 -1.199440      1.409866  
1 1 1 -9  8  8  o 179.7565 1.021996  16560.24   188.2488 17327.10  394.7000 15861.00   359.9000 183.7837 2.095858  175.8467 1.997327  7.936981       2.895158  
1 1 1 -9  8  9  o 232.2532 1.507110  27655.15   358.6781 27496.10  856.7000 27769.70   617.0000 231.2247 3.615732  232.5852 2.588837  -1.360550      4.446976  
1 1 1 -9  8  10 o 74.58163 0.5454664 2850.165   41.68678 3159.900  109.8000 2660.600   67.20000 78.51165 1.364803  72.05315 0.9101604 6.458504       1.640451  
1 1 1 -9  8  11 o 81.57648 0.6069230 3409.936   50.73375 3568.800  122.1000 3297.000   86.80000 83.43427 1.428147  80.20526 1.056133  3.229004       1.776238  
1 1 1 -9  8  12 o 95.66705 0.6846785 4689.813   67.11930 4728.000  162.0000 4662.800   114.6000 96.02278 1.646426  95.37789 1.172569  0.6448898      2.021296  
1 1 1 -9  8  13 o 49.35495 0.4386840 1248.118   22.18610 1315.100  56.10000 1204.300   36.70000 50.65429 1.080807  48.47817 0.7387908 2.176117       1.309181  
1 1 1 -9  8  14 o 72.91592 0.5451279 2724.294   40.73045 2601.600  92.30000 2821.200   72.90000 71.24036 1.264379  74.19413 0.9588698 -2.953766      1.586848  
1 1 1 -9  8  15 o 118.9215 0.8245596 7247.449   100.4803 7356.600  247.4000 7172.800   169.2000 119.7477 2.016203  118.2830 1.395981  1.464653       2.452313  
1 1 1 -9  8  16 o 224.7579 1.474261  25900.90   339.5376 25534.30  807.3000 26167.00   586.0000 222.7764 3.536449  225.7491 2.533221  -2.972717      4.350135  
1 1 1 -9  8  17 o 129.2970 0.8966051 8567.730   118.7922 8214.400  272.5000 8840.800   210.6000 126.5237 2.101824  131.3038 1.565246  -4.780151      2.620621  
1 1 1 -9  8  18 o 67.29455 0.4895602 2320.416   33.75859 2433.600  74.40000 2226.400   61.80000 68.90540 1.053710  65.91006 0.9150366 2.995338       1.395564  
1 1 1 -9  8  19 o 99.38963 0.6197670 5061.903   63.12013 5229.200  131.6000 4907.700   121.3000 100.9951 1.271620  97.84401 1.209841  3.151062       1.755201  
1 1 1 -9  8  20 o 86.64919 0.5595789 3847.279   49.68488 3956.700  103.1000 3745.500   95.90000 87.85459 1.145238  85.47969 1.094857  2.374901       1.584387  
1 1 1 -9  8  21 o 49.44181 0.3946429 1252.530   19.99388 1303.100  40.70000 1203.700   39.30000 50.42463 0.7876864 48.46323 0.7913740 1.961391       1.116567  
1 1 1 -9  8  22 o 123.3662 0.7500315 7799.824   94.81432 7592.800  181.6000 8026.000   198.4000 121.6697 1.456582  125.0837 1.547899  -3.414009      2.125470  
1 1 1 -9  8  23 o 95.36478 0.6276594 4660.599   61.33529 4603.300  120.8000 4719.700   124.6000 94.74564 1.244255  95.93446 1.267491  -1.188828      1.776149  
1 1 1 -9  8  24 o 84.58344 0.5605142 3666.302   48.58143 3699.000  95.30000 3632.300   99.10000 84.93520 1.094982  84.16261 1.149095  0.7725906      1.587263  
1 1 1 -9  8  25 o 86.27021 0.5447668 3814.058   48.15816 3608.400  91.80000 4041.000   101.3000 83.88538 1.067968  88.76812 1.113664  -4.882744      1.542985  
1 1 1 -9  8  26 o 24.35763 0.3955799 304.0177   9.873418 278.1000  19.50000 330.6000   20.00000 23.27654 0.8188319 25.38360 0.7698047 -2.107056      1.123870  
1 1 1 -9  8  27 o 46.48129 0.3992817 1107.133   19.01761 1126.100  38.80000 1088.900   37.30000 46.86518 0.8079475 46.08532 0.7898559 0.7798576      1.129890  
1 1 1 -9  8  28 o 89.98614 0.5922840 4150.646   54.61401 4146.900  107.7000 4154.500   110.8000 89.88675 1.169289  89.96461 1.201904  -0.7785797E-01 1.676845  
1 1 1 -9  8  29 o 31.13779 0.4176562 496.8860   13.32616 572.3000  33.80000 447.8000   22.00000 33.38275 0.9891803 29.55203 0.7265022 3.830717       1.227307  
1 1 1 -9  8  30 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -9  9  1  o 70.14317 0.9224222 0.000000   0.000000 ?         ?        2521.500   66.30000 ?        ?         70.14317 0.9224222 0.000000       0.9224222 
1 1 1 -9  9  2  o 15.48817 1.591543  0.000000   0.000000 ?         ?        124.3000   24.90000 ?        ?         15.48817 1.591543  0.000000       1.591543  
1 1 1 -9  9  3  o 53.46688 0.5366166 0.000000   0.000000 ?         ?        1464.800   29.40000 ?        ?         53.46688 0.5366166 0.000000       0.5366166 
1 1 1 -9  9  4  o 91.45734 0.5828249 4286.008   54.62042 4424.500  165.2000 4217.600   81.60000 92.88331 1.735697  90.71825 0.8778031 2.165054       1.945041  
1 1 1 -9  9  5  o 90.89024 1.098399  0.000000   0.000000 ?         ?        4234.200   102.3000 ?        ?         90.89024 1.098399  0.000000       1.098399  
1 1 1 -9  9  6  o 95.54413 0.6555393 4677.745   64.18021 4780.700  153.3000 4603.600   110.4000 96.55921 1.549352  94.77073 1.136832  1.788483       1.921687  
1 1 1 -9  9  7  o 168.6104 1.112182  14571.72   192.1581 13917.00  437.6000 15084.30   342.6000 164.6331 2.593951  171.4794 1.949742  -6.846252      3.245007  
1 1 1 -9  9  8  o 111.9426 0.7675037 6421.580   88.03878 5832.000  195.3000 6905.500   160.3000 106.6349 1.787330  116.0607 1.347876  -9.425835      2.238597  
1 1 1 -9  9  9  o 147.8355 0.9968346 11201.28   151.0081 11025.90  361.0000 11327.40   259.6000 146.5583 2.403801  148.6187 1.704641  -2.060410      2.946873  
1 1 1 -9  9  10 o 138.5082 0.9635465 9832.284   136.7561 9786.600  336.9000 9863.500   230.2000 138.0768 2.381124  138.6887 1.619817  -0.6119080     2.879854  
1 1 1 -9  9  11 o 167.3751 1.121080  14359.35   192.2764 14034.40  461.3000 14591.60   329.7000 165.2983 2.723433  168.6553 1.907746  -3.356995      3.325145  
1 1 1 -9  9  12 o 47.90675 0.4051397 1175.944   19.88840 1130.500  43.70000 1213.900   36.50000 46.96662 0.9080165 48.67065 0.7318589 -1.704029      1.166238  
1 1 1 -9  9  13 o 65.09177 0.5269247 2171.015   35.14577 1919.300  76.80000 2383.400   64.80000 61.18890 1.224871  68.19437 0.9273167 -7.005478      1.536302  
1 1 1 -9  9  14 o 205.9411 1.181558  21740.77   249.3427 21248.60  496.0000 22238.30   501.4000 203.4391 2.379298  208.1280 2.351015  -4.688950      3.344897  
1 1 1 -9  9  15 o 73.46281 0.4740135 2765.286   35.68261 2903.100  75.70000 2642.400   67.50000 75.26072 0.9815877 71.80366 0.9174002 3.457062       1.343554  
1 1 1 -9  9  16 o 92.06369 0.5924572 4343.146   55.89124 4420.300  113.2000 4267.900   110.4000 92.85860 1.189668  91.24417 1.180771  1.614426       1.676165  
1 1 1 -9  9  17 o 49.65952 0.3971599 1263.578   20.21000 1134.100  38.70000 1405.100   42.30000 47.04171 0.8028409 52.36162 0.7883678 -5.319916      1.125201  
1 1 1 -9  9  18 o 82.95061 0.5350620 3525.848   45.48016 3513.700  92.90000 3537.500   89.10000 82.79052 1.095057  83.07238 1.046701  -0.2818604     1.514838  
1 1 1 -9  9  19 o 69.42780 0.4552378 2469.905   32.38696 2507.800  66.10000 2433.500   63.50000 69.94716 0.9222168 68.90390 0.8993558 1.043259       1.288148  
1 1 1 -9  9  20 o 27.61290 0.3931288 390.6865   11.12360 380.7000  22.00000 400.9000   22.50000 27.24287 0.7889129 27.95698 0.7861859 -0.7141113     1.113765  
1 1 1 -9  9  21 o 96.41552 0.6039903 4763.840   59.67264 4762.300  118.6000 4765.400   120.1000 96.36883 1.201019  96.39915 1.215826  -0.3032684E-01 1.708999  
1 1 1 -9  9  22 o 112.4344 0.6728848 6478.875   77.52435 6470.100  154.6000 6487.700   155.5000 112.3069 1.343399  112.4589 1.349392  -0.1520233     1.904096  
1 1 1 -9  9  23 o 18.58859 0.4739000 177.1815   9.019391 139.3000  17.60000 217.0000   18.50000 16.44855 1.049685  20.55508 0.8803619 -4.106533      1.369991  
1 1 1 -9  9  24 o 90.17838 0.5715575 4167.730   52.81541 4222.200  109.3000 4116.800   102.2000 90.72309 1.175720  89.58926 1.113260  1.133827       1.619156  
1 1 1 -9  9  25 o 62.98468 0.4522772 2032.982   29.19027 2105.800  61.70000 1967.600   55.40000 64.07944 0.9396543 61.94506 0.8727798 2.134373       1.282457  
1 1 1 -9  9  26 o 81.24209 0.5140945 3382.784   42.79789 3366.400  85.00000 3399.400   86.20000 81.00533 1.024016  81.40041 1.033433  -0.3950729     1.454852  
1 1 1 -9  9  27 o 28.56372 0.3456697 418.0941   10.11753 401.3000  20.80000 434.0000   19.70000 27.96641 0.7264339 29.09524 0.6607633 -1.128832      0.9819950 
1 1 1 -9  9  28 o 10.67475 0.8059075 58.77676   8.750270 58.90000  22.80000 58.70000   14.20000 10.48838 2.192136  10.60522 1.336286  -0.1168413     2.567318  
1 1 1 -9  10 1  o 13.64905 1.317641  0.000000   0.000000 ?         ?        96.40000   18.20000 ?        ?         13.64905 1.317641  0.000000       1.317641  
1 1 1 -9  10 2  o 145.6412 1.793766  0.000000   0.000000 ?         ?        10880.80   267.7000 ?        ?         145.6412 1.793766  0.000000       1.793766  
1 1 1 -9  10 3  o 116.2054 1.069064  0.000000   0.000000 ?         ?        6921.600   127.3000 ?        ?         116.2054 1.069064  0.000000       1.069064  
1 1 1 -9  10 4  o 98.16894 0.9314662 0.000000   0.000000 ?         ?        4939.200   93.70000 ?        ?         98.16894 0.9314662 0.000000       0.9314662 
1 1 1 -9  10 5  o 244.1978 2.192779  0.000000   0.000000 ?         ?        30607.50   548.7000 ?        ?         244.1978 2.192779  0.000000       2.192779  
1 1 1 -9  10 6  o 79.77121 1.101027  0.000000   0.000000 ?         ?        3261.800   90.00000 ?        ?         79.77121 1.101027  0.000000       1.101027  
1 1 1 -9  10 7  o 73.35764 0.5351362 2757.438   40.22610 2652.500  92.30000 2838.500   71.30000 71.93090 1.252241  74.41987 0.9349799 -2.488968      1.562784  
1 1 1 -9  10 8  o 68.45256 0.5058134 2400.988   35.47957 2607.000  90.40000 2267.900   58.40000 71.31162 1.237114  66.52232 0.8567362 4.789307       1.504808  
1 1 1 -9  10 9  f 150.5802 1.005666  11621.78   155.1743 10928.00  347.0000 12183.00   280.7000 145.8939 2.321100  154.1095 1.777520  -8.215607      2.923539  
1 1 1 -9  10 10 o 101.2287 0.6248122 5251.000   64.81143 5365.400  135.9000 5146.700   123.9000 102.2997 1.296422  100.1975 1.206747  2.102234       1.771143  
1 1 1 -9  10 11 o 63.61012 0.4256995 2073.252   27.74775 2040.500  55.00000 2106.600   56.00000 63.09885 0.8506343 64.11268 0.8524045 -1.013832      1.204231  
1 1 1 -9  10 12 o 58.11082 0.8816656 1730.700   52.50000 1730.700  52.50000 ?          ?        58.11082 0.8816656 ?        ?         0.000000       0.8816656 
1 1 1 -9  10 13 o 42.96738 0.3622590 945.9555   15.94984 896.2000  32.00000 995.4000   31.80000 41.81826 0.7467679 44.07254 0.7041426 -2.254288      1.026391  
1 1 1 -9  10 14 o 130.8249 0.7804068 8771.414   104.6188 8411.500  204.5000 9148.400   214.2000 128.0597 1.558413  133.5507 1.565218  -5.491028      2.208746  
1 1 1 -9  10 15 o 77.72418 0.4928092 3095.509   39.24943 2993.500  78.20000 3198.300   78.80000 76.41877 0.9986385 78.99056 0.9735374 -2.571793      1.394652  
1 1 1 -9  10 16 f 50.42001 0.3641045 1302.581   18.81167 1371.400  39.40000 1239.700   36.00000 51.72908 0.7432982 49.18309 0.7143126 2.545990       1.030890  
1 1 1 -9  10 17 o 52.27059 0.3844184 1399.970   20.59017 1434.100  42.10000 1367.300   40.30000 52.89720 0.7766959 51.65088 0.7614282 1.246319       1.087672  
1 1 1 -9  10 18 o 130.6296 0.7572484 8745.854   101.3628 8910.400  209.7000 8591.900   196.2000 131.7796 1.552930  129.4116 1.479542  2.367950       2.144910  
1 1 1 -9  10 19 o 96.58555 0.6043783 4780.790   59.81628 4903.000  123.5000 4666.000   116.0000 97.77424 1.232662  95.38543 1.186800  2.388809       1.711126  
1 1 1 -9  10 20 o 17.22776 0.4745965 152.2048   8.370238 206.0000  15.80000 91.60000   17.80000 20.03236 0.7711491 13.29683 1.323967  6.735534       1.532175  
1 1 1 -9  10 21 o 38.04222 0.3277040 741.5478   12.77456 699.1000  25.70000 783.5000   25.40000 36.93188 0.6790994 39.09867 0.6339767 -2.166794      0.9290330 
1 1 1 -9  10 22 o 75.83432 0.5017844 2947.173   38.99252 3023.000  82.30000 2878.900   74.10000 76.77245 1.046155  74.92622 0.9651306 1.846237       1.423347  
1 1 1 -9  10 23 o 94.55892 0.5769964 4582.875   55.90800 4607.700  113.8000 4558.900   109.9000 94.75860 1.171994  94.25970 1.137819  0.4989014      1.633463  
1 1 1 -9  10 24 o 89.29971 0.5810646 4087.521   53.17076 4056.600  105.4000 4119.000   107.3000 88.90321 1.156977  89.58274 1.168899  -0.6795349     1.644665  
1 1 1 -9  10 25 o 62.39757 0.4246002 1995.361   27.14853 1996.800  53.90000 1993.900   54.70000 62.39518 0.8430228 62.34881 0.8561715 0.4637527E-01  1.201548  
1 1 1 -9  10 26 o 20.88459 0.4495101 223.5465   9.619750 249.0000  23.90000 206.4000   16.10000 21.99883 1.063379  20.04535 0.7853351 1.953474       1.321941  
1 1 1 -9  11 1  o 75.04666 1.036403  0.000000   0.000000 ?         ?        2887.100   79.70000 ?        ?         75.04666 1.036403  0.000000       1.036403  
1 1 1 -9  11 2  o 26.06044 0.8023268 0.000000   0.000000 ?         ?        348.4000   21.40000 ?        ?         26.06044 0.8023268 0.000000       0.8023268 
1 1 1 -9  11 3  o 29.39773 0.8407262 0.000000   0.000000 ?         ?        443.3000   25.30000 ?        ?         29.39773 0.8407262 0.000000       0.8407262 
1 1 1 -9  11 4  o 72.89870 1.455162  0.000000   0.000000 ?         ?        2725.500   108.7000 ?        ?         72.89870 1.455162  0.000000       1.455162  
1 1 1 -9  11 5  o 147.6445 1.666315  0.000000   0.000000 ?         ?        11183.50   252.1000 ?        ?         147.6445 1.666315  0.000000       1.666315  
1 1 1 -9  11 6  o 135.7126 0.8183520 9439.476   113.8043 8813.300  307.7000 9807.000   180.6000 130.9901 2.292402  138.2976 1.274397  -7.307587      2.622822  
1 1 1 -9  11 7  o 175.3976 1.060874  15770.77   190.6716 15480.30  547.0000 15926.20   292.7000 173.4239 3.078081  176.1956 1.621173  -2.771667      3.478905  
1 1 1 -9  11 8  o 19.21242 0.5076510 189.2740   9.985388 170.6000  28.40000 199.4000   15.40000 18.17203 1.539642  19.71015 0.7639335 -1.538120      1.718747  
1 1 1 -9  11 9  o 36.91067 0.3314760 698.0660   12.53725 684.6000  25.90000 710.7000   24.30000 36.54949 0.6915444 37.24038 0.6367863 -0.6908913     0.9400694 
1 1 1 -9  11 10 o 101.1216 0.6012124 5240.094   62.29743 5225.300  125.4000 5254.700   123.8000 100.9491 1.212262  101.2339 1.193428  -0.2848129     1.701132  
1 1 1 -9  11 11 o 142.8714 0.8349778 10462.24   122.2415 10527.10  248.6000 10399.50   240.5000 143.2283 1.693846  142.3635 1.648610  0.8647919      2.363690  
1 1 1 -9  11 12 o 132.8579 0.7761353 9046.725   105.6630 9248.500  213.6000 8849.200   209.1000 134.2625 1.552560  131.3320 1.553765  2.930481       2.196503  
1 1 1 -9  11 13 o 93.89214 0.5716979 4517.631   55.00399 4363.400  105.6000 4685.300   114.8000 92.25037 1.117114  95.58906 1.172021  -3.338684      1.619128  
1 1 1 -9  11 14 o 85.79906 0.5379878 3772.356   47.29916 3771.000  95.00000 3773.700   94.20000 85.75992 1.081038  85.79117 1.071544  -0.3125000E-01 1.522120  
1 1 1 -9  11 15 o 70.90487 0.4652038 2576.229   33.80008 2722.800  70.30000 2440.500   65.10000 72.87735 0.9413788 68.99693 0.9207736 3.880424       1.316821  
1 1 1 -9  11 16 o 49.77875 0.3708711 1269.697   18.91757 1237.400  37.10000 1303.300   38.60000 49.13424 0.7368707 50.42535 0.7470334 -1.291111      1.049303  
1 1 1 -9  11 17 o 25.39617 0.3621490 330.4838   9.424403 345.2000  19.00000 316.0000   18.70000 25.94165 0.7154388 24.81846 0.7361201 1.123194       1.026511  
1 1 1 -9  11 18 o 26.65417 0.3568933 364.0385   9.747692 394.5000  19.80000 334.5000   19.20000 27.73380 0.6972716 25.53474 0.7345529 2.199060       1.012796  
1 1 1 -9  11 19 o 53.43247 0.3912635 1463.000   21.42264 1487.000  43.30000 1439.500   42.40000 53.85664 0.7846035 52.98963 0.7808661 0.8670158      1.106957  
1 1 1 -9  11 20 o 57.46659 0.4022918 1692.307   23.68945 1676.400  46.40000 1708.900   48.40000 57.18074 0.7918991 57.73097 0.8181598 -0.5502281     1.138635  
1 1 1 -9  11 21 o 91.53719 0.5790340 4294.882   54.31253 4626.400  114.9000 3997.700   103.0000 94.93953 1.181067  88.25878 1.138888  6.680748       1.640727  
1 1 1 -9  11 22 o 8.258313 0.8406193 35.33936   7.014539 35.50000  15.10000 35.20000   13.10000 8.143126 1.851637  8.129786 1.629314  0.1334000E-01  2.466419  
1 1 1 -9  11 23 o 39.49231 0.3357779 799.2324   13.58823 738.6000  28.00000 856.4000   26.40000 37.95223 0.7199832 40.87086 0.6303645 -2.918629      0.9569406 
1 1 1 -9  11 24 o 34.40090 0.3941036 606.4966   13.89244 611.8000  32.80000 602.6000   24.10000 34.51681 0.9281948 34.28057 0.6860735 0.2362442      1.154228  
1 1 1 -9  12 1  o 51.93037 0.7836394 0.000000   0.000000 ?         ?        1382.300   41.70000 ?        ?         51.93037 0.7836394 0.000000       0.7836394 
1 1 1 -9  12 2  f 45.47592 0.7575213 0.000000   0.000000 ?         ?        1060.000   35.30000 ?        ?         45.47592 0.7575213 0.000000       0.7575213 
1 1 1 -9  12 3  o 45.71585 0.9136474 0.000000   0.000000 ?         ?        1071.400   42.80000 ?        ?         45.71585 0.9136474 0.000000       0.9136474 
1 1 1 -9  12 4  o 142.7601 1.739733  0.000000   0.000000 ?         ?        10463.60   254.5000 ?        ?         142.7601 1.739733  0.000000       1.739733  
1 1 1 -9  12 5  o 74.43017 1.460622  0.000000   0.000000 ?         ?        2842.500   111.4000 ?        ?         74.43017 1.460622  0.000000       1.460622  
1 1 1 -9  12 6  o 33.58498 1.280873  0.000000   0.000000 ?         ?        579.4000   44.00000 ?        ?         33.58498 1.280873  0.000000       1.280873  
1 1 1 -9  12 7  o 130.8691 2.293029  0.000000   0.000000 ?         ?        8807.300   307.5000 ?        ?         130.8691 2.293029  0.000000       2.293029  
1 1 1 -9  12 8  o 25.49792 0.6663299 333.4362   17.39483 301.3000  34.20000 366.7000   35.40000 24.19405 1.385282  26.70538 1.297502  -2.511324      1.898030  
1 1 1 -9  12 9  o 100.3763 0.8866606 5165.150   91.19832 5009.500  169.0000 5347.600   198.1000 98.77925 1.669639  102.0280 1.894814  -3.248756      2.525474  
1 1 1 -9  12 10 o 23.79343 0.6198297 290.3384   15.09934 356.1000  30.00000 223.7000   30.40000 26.32741 1.114547  20.82997 1.432982  5.497440       1.815393  
1 1 1 -9  12 11 o 20.23397 0.4767402 209.8019   9.884651 204.0000  15.40000 220.2000   27.60000 19.93523 0.7552437 20.67584 1.309436  -0.7406044     1.511627  
1 1 1 -9  12 12 o 70.74672 0.5378205 2564.992   38.98899 2607.600  68.50000 2508.700   90.50000 71.31431 0.9373797 69.92790 1.262989  1.386406       1.572839  
1 1 1 -9  12 13 o 16.53229 0.5456232 140.2238   9.230576 178.2000  14.50000 73.70000   25.40000 18.62928 0.7611832 11.78272 2.184135  6.846554       2.312974  
1 1 1 -9  12 14 o 67.98137 0.5201584 2368.430   36.23463 2339.000  62.20000 2409.500   86.80000 67.54033 0.8987291 68.52705 1.236116  -0.9867249     1.528299  
1 1 1 -9  12 15 o 50.22454 0.9812440 0.000000   0.000000 ?         ?        1293.700   50.50000 ?        ?         50.22454 0.9812440 0.000000       0.9812440 
1 1 1 -9  12 16 o 59.03389 0.4787589 1786.018   28.96121 1665.600  46.10000 1989.500   77.90000 56.99616 0.7893270 62.26094 1.221022  -5.264778      1.453937  
1 1 1 -9  12 17 o 23.60126 0.4437007 285.4616   10.73059 320.1000  18.80000 239.4000   25.00000 24.97591 0.7353792 21.56873 1.135138  3.407185       1.352524  
1 1 1 -9  12 18 o 9.485914 0.9949738 46.67186   9.527638 45.60000  15.80000 48.30000   24.00000 9.267291 1.727351  9.492481 2.450624  -0.2251902     2.998216  
1 1 1 -9  12 19 o 19.07912 0.5015001 186.7042   9.796049 210.6000  16.60000 152.3000   23.90000 20.24835 0.8016398 17.16200 1.370415  3.086348       1.587659  
1 1 1 -9  12 20 o 3.852052 1.508105  4.466305   8.649729 2.200000  13.90000 8.200000   22.90000 4.443250 1.848295  5.992913 2.418316  -1.549663      3.043756  
1 1 1 -9  12 21 o 15.74866 0.7006502 127.4395   11.27859 122.9000  21.20000 132.6000   24.10000 15.40274 1.357059  15.98666 1.488258  -0.5839128     2.014081  
1 1 1 -9  13 1  o 66.47521 0.8896405 0.000000   0.000000 ?         ?        2266.100   60.60000 ?        ?         66.47521 0.8896405 0.000000       0.8896405 
1 1 1 -9  13 2  o 101.4552 1.272587  0.000000   0.000000 ?         ?        5283.200   132.3000 ?        ?         101.4552 1.272587  0.000000       1.272587  
1 1 1 -9  13 3  o 44.63403 0.7893011 0.000000   0.000000 ?         ?        1021.400   36.10000 ?        ?         44.63403 0.7893011 0.000000       0.7893011 
1 1 1 -9  13 4  o 93.42560 1.286905  0.000000   0.000000 ?         ?        4480.000   123.2000 ?        ?         93.42560 1.286905  0.000000       1.286905  
1 1 1 -9  13 5  o 9.058201 2.042069  0.000000   0.000000 ?         ?        43.90000   18.50000 ?        ?         9.058201 2.042069  0.000000       2.042069  
1 1 1 -9  13 6  o 61.08008 1.183914  0.000000   0.000000 ?         ?        1914.400   74.10000 ?        ?         61.08008 1.183914  0.000000       1.183914  
1 1 1 -9  13 7  o 27.33731 1.134095  0.000000   0.000000 ?         ?        384.1000   31.70000 ?        ?         27.33731 1.134095  0.000000       1.134095  
1 1 1 -9  13 8  o 113.6564 2.003191  0.000000   0.000000 ?         ?        6648.800   233.3000 ?        ?         113.6564 2.003191  0.000000       2.003191  
1 1 1 -9  13 9  o 17.64234 0.9068972 160.0472   16.34003 86.50000  24.80000 302.1000   47.90000 12.82107 1.948968  24.14997 1.952250  -11.32890      2.758579  
1 1 1 -9  13 10 o 35.11755 0.5534891 632.0959   19.91735 566.7000  33.70000 726.6000   48.70000 33.22262 0.9910223 37.59976 1.265800  -4.377144      1.607599  
1 1 1 -9  13 11 o 84.46729 0.7799129 3658.405   67.50455 3678.600  137.4000 3638.900   132.7000 84.59466 1.585059  84.14484 1.539023  0.4498138      2.209299  
1 1 1 -9  13 12 o 43.28110 0.4964294 960.0930   22.01680 957.2000  43.20000 963.1000   44.90000 43.19472 0.9760110 43.32553 1.011356  -0.1308098     1.405503  
1 1 1 -9  13 13 o 40.67513 0.5027475 847.9827   20.95449 833.8000  36.50000 867.1000   49.20000 40.31797 0.8834782 41.08097 1.169953  -0.7630005     1.466058  
1 1 1 -9  13 14 o 60.42168 0.4846026 1871.173   30.00384 1787.900  50.10000 1995.500   74.80000 59.04103 0.8281049 62.34120 1.170922  -3.300163      1.434161  
1 1 1 -9  13 15 o 46.02288 0.4056142 1085.516   19.12870 1105.300  32.40000 1057.000   46.70000 46.42871 0.6810202 45.38219 1.004230  1.046520       1.213370  
1 1 1 -9  13 16 o 32.45528 0.3939815 539.8329   13.10266 519.5000  20.70000 574.9000   35.70000 31.83115 0.6346286 33.44883 1.042845  -1.617672      1.220770  
1 1 1 -9  13 17 o 33.12240 0.3859232 562.2576   13.09848 520.5000  19.50000 647.7000   39.90000 31.86241 0.5972521 35.49751 1.098245  -3.635105      1.250141  
1 1 1 -9  13 18 o 48.28398 0.5233530 1195.120   25.89382 1215.500  51.00000 1174.100   52.60000 48.65656 1.022894  47.81571 1.073536  0.8408470      1.482832  
1 1 1 -9  14 1  f 40.06418 1.038535  0.000000   0.000000 ?         ?        824.6000   42.60000 ?        ?         40.06418 1.038535  0.000000       1.038535  
1 1 1 -9  14 2  o 29.03880 0.9422287 0.000000   0.000000 ?         ?        433.2000   28.00000 ?        ?         29.03880 0.9422287 0.000000       0.9422287 
1 1 1 -9  14 3  o 37.73601 0.9913356 0.000000   0.000000 ?         ?        731.4000   38.30000 ?        ?         37.73601 0.9913356 0.000000       0.9913356 
1 1 1 -9  14 4  o 50.09951 1.157057  0.000000   0.000000 ?         ?        1289.100   59.40000 ?        ?         50.09951 1.157057  0.000000       1.157057  
1 1 1 -9  14 5  o 18.26553 1.383387  0.000000   0.000000 ?         ?        172.5000   25.70000 ?        ?         18.26553 1.383387  0.000000       1.383387  
1 1 1 -9  14 6  o 24.40137 1.159121  0.000000   0.000000 ?         ?        306.5000   28.90000 ?        ?         24.40137 1.159121  0.000000       1.159121  
1 1 1 -9  14 7  o 25.92828 1.048502  0.000000   0.000000 ?         ?        345.7000   27.80000 ?        ?         25.92828 1.048502  0.000000       1.048502  
1 1 1 -9  14 8  o 54.95888 1.168395  0.000000   0.000000 ?         ?        1551.500   65.80000 ?        ?         54.95888 1.168395  0.000000       1.168395  
1 1 1 -9  14 9  o 31.57224 1.064821  0.000000   0.000000 ?         ?        512.4000   34.40000 ?        ?         31.57224 1.064821  0.000000       1.064821  
1 1 1 -9  14 10 o 30.76620 0.9877599 0.000000   0.000000 ?         ?        486.4000   31.10000 ?        ?         30.76620 0.9877599 0.000000       0.9877599 
1 1 1 -9  14 11 o 22.34897 1.077358  0.000000   0.000000 ?         ?        257.1000   24.60000 ?        ?         22.34897 1.077358  0.000000       1.077358  
1 1 1 -9  14 12 o 34.26832 0.9349506 0.000000   0.000000 ?         ?        603.2000   32.80000 ?        ?         34.26832 0.9349506 0.000000       0.9349506 
1 1 1 -9  14 13 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -8  0  1  o 239.8148 2.757810  29484.90   677.5000 29484.90  677.5000 29484.90   677.5000 239.8148 2.757810  239.8148 2.757810  0.000000       0.000000  
1 1 1 -8  0  2  o 19.71825 0.6200370 199.8000   12.50000 199.8000  12.50000 199.8000   12.50000 19.71825 0.6200370 19.71825 0.6200370 0.000000       0.000000  
1 1 1 -8  0  3  o 353.4881 3.914718  64075.60   1417.600 64075.60  1417.600 64075.60   1417.600 353.4881 3.914718  353.4881 3.914718  0.000000       0.000000  
1 1 1 -8  0  4  o 314.9152 3.593613  50851.80   1159.300 50851.80  1159.300 50851.80   1159.300 314.9152 3.593613  314.9152 3.593613  0.000000       0.000000  
1 1 1 -8  0  5  o 380.5786 4.259878  74280.50   1660.800 74280.50  1660.800 74280.50   1660.800 380.5786 4.259878  380.5786 4.259878  0.000000       0.000000  
1 1 1 -8  0  6  o 548.7359 6.057237  154514.0   3405.000 154514.0  3405.000 154514.0   3405.000 548.7359 6.057237  548.7359 6.057237  0.000000       0.000000  
1 1 1 -8  0  7  o 439.8846 4.879428  99252.70   2198.800 99252.70  2198.800 99252.70   2198.800 439.8846 4.879428  439.8846 4.879428  0.000000       0.000000  
1 1 1 -8  0  8  o 231.3416 2.706094  27438.40   641.3000 27438.40  641.3000 27438.40   641.3000 231.3416 2.706094  231.3416 2.706094  0.000000       0.000000  
1 1 1 -8  0  9  o 178.9352 2.100397  16413.60   385.0000 16413.60  385.0000 16413.60   385.0000 178.9352 2.100397  178.9352 2.100397  0.000000       0.000000  
1 1 1 -8  0  10 o 111.2520 1.454064  6345.100   165.7000 6345.100  165.7000 6345.100   165.7000 111.2520 1.454064  111.2520 1.454064  0.000000       0.000000  
1 1 1 -8  0  11 o 268.6579 3.102335  37007.50   853.8000 37007.50  853.8000 37007.50   853.8000 268.6579 3.102335  268.6579 3.102335  0.000000       0.000000  
1 1 1 -8  0  12 o 275.1969 4.417533  38859.90   1245.000 38859.90  1245.000 38859.90   1245.000 275.1969 4.417533  275.1969 4.417533  0.000000       0.000000  
1 1 1 -8  0  13 o 145.2392 2.430527  10819.30   361.5000 10819.30  361.5000 10819.30   361.5000 145.2392 2.430527  145.2392 2.430527  0.000000       0.000000  
1 1 1 -8  0  14 o 184.7013 3.127283  17500.70   591.5000 17500.70  591.5000 17500.70   591.5000 184.7013 3.127283  184.7013 3.127283  0.000000       0.000000  
1 1 1 -8  0  15 o 12.35151 2.145284  84.90000   24.70000 84.90000  24.70000 84.90000   24.70000 12.35151 2.145284  12.35151 2.145284  0.000000       0.000000  
1 1 1 -8  0  16 o 132.9815 2.450017  9072.400   333.6000 9072.400  333.6000 9072.400   333.6000 132.9815 2.450017  132.9815 2.450017  0.000000       0.000000  
1 1 1 -8  0  17 o 100.1947 1.809066  5149.500   185.6000 5149.500  185.6000 5149.500   185.6000 100.1947 1.809066  100.1947 1.809066  0.000000       0.000000  
1 1 1 -8  0  18 o 145.1544 2.510765  10809.50   373.2000 10809.50  373.2000 10809.50   373.2000 145.1544 2.510765  145.1544 2.510765  0.000000       0.000000  
1 1 1 -8  0  19 o 190.6501 3.232543  18654.40   631.1000 18654.40  631.1000 18654.40   631.1000 190.6501 3.232543  190.6501 3.232543  0.000000       0.000000  
1 1 1 -8  0  20 o 14.46707 1.810202  112.2000   25.70000 112.2000  25.70000 112.2000   25.70000 14.46707 1.810202  14.46707 1.810202  0.000000       0.000000  
1 1 1 -8  0  21 o 317.6056 5.200228  51879.80   1691.400 51879.80  1691.400 51879.80   1691.400 317.6056 5.200228  317.6056 5.200228  0.000000       0.000000  
1 1 1 -8  0  22 o 224.9342 3.690454  25986.80   850.1000 25986.80  850.1000 25986.80   850.1000 224.9342 3.690454  224.9342 3.690454  0.000000       0.000000  
1 1 1 -8  0  23 o 110.9699 2.016253  6318.800   229.1000 6318.800  229.1000 6318.800   229.1000 110.9699 2.016253  110.9699 2.016253  0.000000       0.000000  
1 1 1 -8  0  24 o 127.4604 1.646752  8331.000   215.0000 8331.000  215.0000 8331.000   215.0000 127.4604 1.646752  127.4604 1.646752  0.000000       0.000000  
1 1 1 -8  0  25 o 163.3937 2.049940  13693.20   343.1000 13693.20  343.1000 13693.20   343.1000 163.3937 2.049940  163.3937 2.049940  0.000000       0.000000  
1 1 1 -8  0  26 o 45.57731 0.8035051 1065.400   37.50000 1065.400  37.50000 1065.400   37.50000 45.57731 0.8035051 45.57731 0.8035051 0.000000       0.000000  
1 1 1 -8  0  27 o 69.10927 1.080852  2449.300   76.50000 2449.300  76.50000 2449.300   76.50000 69.10927 1.080852  69.10927 1.080852  0.000000       0.000000  
1 1 1 -8  0  28 o 34.98030 0.8436376 628.1000   30.20000 628.1000  30.20000 628.1000   30.20000 34.98030 0.8436376 34.98030 0.8436376 0.000000       0.000000  
1 1 1 -8  0  29 o 191.1488 2.259852  18748.80   442.5000 18748.80  442.5000 18748.80   442.5000 191.1488 2.259852  191.1488 2.259852  0.000000       0.000000  
1 1 1 -8  0  30 o 54.32855 0.9274888 1513.900   51.60000 1513.900  51.60000 1513.900   51.60000 54.32855 0.9274888 54.32855 0.9274888 0.000000       0.000000  
1 1 1 -8  0  31 o 124.2382 1.537756  7917.500   195.7000 7917.500  195.7000 7917.500   195.7000 124.2382 1.537756  124.2382 1.537756  0.000000       0.000000  
1 1 1 -8  0  32 o 19.63718 0.9089192 198.9000   18.20000 198.9000  18.20000 198.9000   18.20000 19.63718 0.9089192 19.63718 0.9089192 0.000000       0.000000  
1 1 1 -8  0  33 o 176.5864 2.164881  16019.60   391.6000 16019.60  391.6000 16019.60   391.6000 176.5864 2.164881  176.5864 2.164881  0.000000       0.000000  
1 1 1 -8  0  34 o 71.23196 1.674885  2608.300   122.1000 2608.300  122.1000 2608.300   122.1000 71.23196 1.674885  71.23196 1.674885  0.000000       0.000000  
1 1 1 -8  0  35 o 25.89260 1.089874  345.6000   28.80000 345.6000  28.80000 345.6000   28.80000 25.89260 1.089874  25.89260 1.089874  0.000000       0.000000  
1 1 1 -8  1  1  o 234.8423 1.362153  28260.11   327.7936 28792.90  658.5000 27732.00   652.7000 237.0030 2.711462  232.5946 2.738518  4.408386       3.853765  
1 1 1 -8  1  2  o 475.1906 2.613061  115743.6   1272.377 117635.0  2570.000 113889.0   2520.000 478.7369 5.238872  471.0557 5.220714  7.681244       7.396056  
1 1 1 -8  1  3  o 318.9173 1.783534  52121.14   582.8512 51801.40  1158.300 52445.00   1173.200 317.8402 3.556427  319.8069 3.580024  -1.966675      5.046260  
1 1 1 -8  1  4  o 219.3713 1.265015  24658.85   284.3635 24060.50  547.9000 25304.50   591.2000 216.6619 2.467859  222.1877 2.596666  -5.525757      3.582318  
1 1 1 -8  1  5  o 442.5478 2.452669  100382.5   1112.237 100535.0  2217.000 100229.0   2232.000 442.6277 4.887972  441.9478 4.928614  0.6798706      6.941434  
1 1 1 -8  1  6  o 241.5477 1.380824  29897.04   341.7746 30050.10  677.7000 29741.30   689.5000 242.1215 2.731529  240.8715 2.793511  1.249939       3.907039  
1 1 1 -8  1  7  o 221.1540 1.271806  25061.34   288.2133 24749.40  570.0000 25380.40   583.0000 219.7388 2.531452  222.5214 2.556810  -2.782608      3.597989  
1 1 1 -8  1  8  o 353.7131 2.313338  64124.67   838.4720 62601.80  1397.400 66409.20   2096.300 349.3729 3.903311  359.6359 5.688425  -10.26294      6.898842  
1 1 1 -8  1  9  o 223.1221 1.494296  25510.53   341.6468 25552.20  579.2000 25450.60   833.0000 223.2724 2.531600  222.7757 3.649042  0.4967346      4.441227  
1 1 1 -8  1  10 o 155.4805 1.090094  12386.72   173.6754 11795.90  281.7000 13336.60   452.9000 151.7160 1.811996  161.2961 2.740186  -9.580139      3.285110  
1 1 1 -8  1  11 o 211.3042 1.439664  22879.65   311.7221 23143.10  539.3000 22518.80   738.7000 212.4863 2.476858  209.5578 3.440059  2.928452       4.238966  
1 1 1 -8  1  12 o 100.0584 0.7685273 5129.732   78.79729 5267.000  140.7000 4955.000   179.1000 101.3836 1.354341  98.33009 1.777505  3.053520       2.234673  
1 1 1 -8  1  13 o 117.8687 0.8365757 7118.505   101.0420 7160.800  175.1000 7060.800   238.9000 118.2119 1.445529  117.3751 1.986287  0.8368149      2.456601  
1 1 1 -8  1  14 o 331.2823 2.195701  56252.21   745.3663 54907.30  1243.800 58263.40   1860.000 327.1759 3.709974  336.8120 5.389234  -9.636078      6.542763  
1 1 1 -8  1  15 o 143.8929 1.074882  10609.44   158.4888 10714.50  276.3000 10468.10   371.7000 144.5885 1.864871  142.8972 2.538462  1.691330       3.149846  
1 1 1 -8  1  16 o 270.4047 2.208691  37481.28   611.9947 38238.70  1220.400 36719.40   1227.600 272.9249 4.363758  267.4340 4.479628  5.490906       6.253755  
1 1 1 -8  1  17 o 255.3289 2.081669  33419.13   544.6405 33716.30  1109.700 33132.70   1069.600 256.2528 4.226088  254.0403 4.108850  2.212509       5.894274  
1 1 1 -8  1  18 o 57.53069 0.6289150 1695.866   37.07574 1527.400  70.10000 1885.000   78.70000 54.59393 1.253070  60.64885 1.266350  -6.054924      1.781524  
1 1 1 -8  1  19 o 130.5157 1.190801  8729.637   159.2577 8631.300  312.1000 8832.100   325.2000 129.7346 2.347683  131.2314 2.418324  -1.496750      3.370446  
1 1 1 -8  1  20 o 142.8724 1.231539  10461.52   180.2998 10529.80  361.0000 10393.40   360.2000 143.2740 2.458902  142.3423 2.469513  0.9317169      3.484924  
1 1 1 -8  1  21 o 149.1558 1.063242  11401.46   162.5064 11347.00  389.2000 11440.50   279.0000 148.7079 2.554115  149.3737 1.822769  -0.6658020     3.137832  
1 1 1 -8  1  22 o 30.74615 0.4587156 484.3647   14.45216 381.9000  30.10000 579.0000   27.80000 27.27652 1.079038  33.61400 0.8070979 -6.337479      1.347490  
1 1 1 -8  1  23 o 46.20385 0.4731667 1093.830   22.40220 1131.000  50.60000 1064.300   40.20000 46.97696 1.051156  45.57284 0.8608384 1.404114       1.358666  
1 1 1 -8  1  24 o 50.81535 0.4826294 1323.080   25.13084 1263.700  56.60000 1370.500   45.20000 49.65510 1.112383  51.71445 0.8529590 -2.059349      1.401761  
1 1 1 -8  1  25 o 65.90933 0.5858567 2225.897   39.56732 2229.900  92.40000 2222.900   69.20000 65.95406 1.367200  65.85822 1.025410  0.9584045E-01  1.709006  
1 1 1 -8  1  26 f 70.23415 0.5913712 2527.617   42.56051 2698.900  109.8000 2419.200   69.50000 72.55458 1.476859  68.70481 0.9871866 3.849770       1.776415  
1 1 1 -8  1  27 o 89.17908 0.7197365 4075.383   65.77107 4047.800  162.7000 4094.100   110.4000 88.83765 1.787278  89.36988 1.205534  -0.5322342     2.155847  
1 1 1 -8  1  28 o 57.63049 0.4749860 1701.804   28.04991 1704.100  56.00000 1699.500   56.20000 57.66211 0.9477617 57.58413 0.9524345 0.7797241E-01  1.343646  
1 1 1 -8  1  29 o 152.4126 0.9363027 11906.30   146.2297 12111.60  297.7000 11708.10   287.4000 153.6303 1.891052  151.0538 1.856764  2.576553       2.650218  
1 1 1 -8  1  30 o 84.91579 0.5987831 3695.088   52.10224 3425.700  96.90000 4008.400   112.7000 81.74145 1.156866  88.41585 1.243929  -6.674400      1.698734  
1 1 1 -8  1  31 o 38.21318 0.4014305 748.2344   15.71889 729.8000  32.90000 765.1000   30.10000 37.73298 0.8508960 38.63649 0.7602745 -0.9035187     1.141070  
1 1 1 -8  1  32 o 90.75306 0.7434890 4221.561   69.14077 4052.000  165.6000 4343.100   118.7000 88.81898 1.819517  92.01418 1.258918  -3.195198      2.212582  
1 1 1 -8  1  33 o 68.47830 0.5889029 2403.375   41.32331 2479.500  101.5000 2351.100   69.70000 69.49718 1.425281  67.70757 1.004609  1.789604       1.743750  
1 1 1 -8  1  34 o 33.94851 0.5790995 590.7252   20.14523 507.5000  38.80000 680.6000   41.90000 31.42200 1.207281  36.40193 1.124637  -4.979937      1.649950  
1 1 1 -8  1  35 o 26.55088 0.5498602 361.3365   14.95993 359.4000  29.00000 363.4000   30.90000 26.44217 1.072518  26.58383 1.136964  -0.1416569     1.563004  
1 1 1 -8  2  1  o 377.9257 2.090394  73199.81   809.5302 71260.30  1572.200 75258.50   1668.800 372.7263 4.116416  383.0252 4.251856  -10.29889      5.918037  
1 1 1 -8  2  2  o 120.2810 0.7332910 7412.722   90.37984 7509.800  178.1000 7312.700   183.5000 121.0598 1.435706  119.4599 1.499049  1.599960       2.075668  
1 1 1 -8  2  3  o 244.9333 1.397297  30741.18   350.6994 30606.80  700.5000 30875.90   702.3000 244.3496 2.797681  245.4217 2.792617  -1.072067      3.952939  
1 1 1 -8  2  4  o 97.23777 0.6916102 4844.536   68.91198 4852.800  119.6000 4833.300   162.6000 97.31756 1.199338  97.11787 1.633891  0.1996918      2.026823  
1 1 1 -8  2  5  o 135.4472 0.9445415 9400.139   131.0960 9899.300  234.5000 8767.300   297.3000 138.9885 1.646515  130.7909 2.218293  8.197556       2.762578  
1 1 1 -8  2  6  o 371.6839 2.406751  70808.36   916.6494 70088.00  1551.300 71848.80   2240.600 369.6524 4.095471  374.0490 5.845713  -4.396606      7.137594  
1 1 1 -8  2  7  o 391.9053 2.534945  78726.42   1018.001 79864.50  1766.900 77179.40   2401.800 394.5580 4.370215  387.6388 6.046600  6.919189       7.460573  
1 1 1 -8  2  8  f 120.0079 0.8639363 7379.227   106.2405 7401.900  186.2000 7349.100   247.4000 120.1858 1.511918  119.7489 2.016181  0.4368057      2.520096  
1 1 1 -8  2  9  o 255.5284 1.730165  33461.01   453.0280 32654.30  770.3000 34612.90   1099.900 252.3768 2.978599  259.7599 4.132213  -7.383087      5.093843  
1 1 1 -8  2  10 o 89.26651 0.6792128 4082.818   62.12878 4004.100  104.7000 4197.700   152.8000 88.39899 1.155849  90.50632 1.647578  -2.107330      2.012586  
1 1 1 -8  2  11 o 149.4225 1.050280  11440.26   160.8124 10793.20  259.9000 12490.40   421.8000 145.1247 1.747699  156.0958 2.637041  -10.97108      3.163611  
1 1 1 -8  2  12 o 243.7316 1.641679  30442.71   410.0137 30583.50  706.2000 30247.80   977.6000 244.2446 2.821658  242.8298 3.928808  1.414734       4.837074  
1 1 1 -8  2  13 o 116.8852 0.8441661 7000.240   101.1081 7572.700  185.6000 6315.200   222.1000 121.5630 1.489972  111.0047 1.952580  10.55836       2.456132  
1 1 1 -8  2  14 o 220.9235 1.497308  25011.40   338.9622 24928.40  574.0000 25131.10   827.8000 220.5157 2.540236  221.3434 3.649728  -0.8277130     4.446720  
1 1 1 -8  2  15 o 88.46249 0.6962034 4009.656   63.10934 4186.900  112.9000 3785.000   143.1000 90.39216 1.218891  85.93955 1.624981  4.452606       2.031319  
1 1 1 -8  2  16 o 157.8838 1.125798  12773.36   182.1363 12668.30  309.5000 12923.60   442.6000 157.2118 1.921221  158.7549 2.720732  -1.543167      3.330687  
1 1 1 -8  2  17 o 97.60406 0.6247060 4881.197   62.48013 4862.900  121.7000 4900.500   128.4000 97.41397 1.219189  97.78885 1.281378  -0.3748779     1.768715  
1 1 1 -8  2  18 o 149.0629 0.9158962 11385.78   139.8989 11374.60  280.6000 11396.90   279.0000 148.9609 1.838303  149.1074 1.826025  -0.1464691     2.591085  
1 1 1 -8  2  19 o 178.9404 1.079041  16408.77   197.8540 15410.50  372.5000 17539.70   422.0000 173.3615 2.096888  184.9411 2.226797  -11.57961      3.058686  
1 1 1 -8  2  20 o 135.6631 1.004709  9431.575   139.6691 9684.900  334.1000 9249.600   240.0000 137.4059 2.372863  134.3192 1.743712  3.086761       2.944658  
1 1 1 -8  2  21 o 137.8093 1.003346  9732.620   141.6863 10329.70  362.5000 9349.500   232.6000 141.8853 2.493286  135.0403 1.680923  6.845001       3.006988  
1 1 1 -8  2  22 o 169.6891 1.208250  14758.30   210.0918 14765.50  490.5000 14752.90   367.5000 169.5915 2.822516  169.5938 2.114702  -0.2212524E-02 3.526835  
1 1 1 -8  2  23 o 58.46377 0.5447032 1751.364   32.63211 2087.400  86.50000 1547.800   52.40000 63.81417 1.322820  54.95700 0.9304861 8.857170       1.617299  
1 1 1 -8  2  24 o 116.6603 0.8879539 6974.451   106.1480 7093.200  265.4000 6895.300   176.9000 117.5825 2.202723  115.9733 1.488577  1.609215       2.658543  
1 1 1 -8  2  25 o 93.37424 0.7454084 4467.800   71.32139 4394.600  181.0000 4515.400   117.7000 92.56412 1.908260  93.85731 1.223799  -1.293190      2.266967  
1 1 1 -8  2  26 o 44.39124 0.4642996 1009.700   21.12000 1072.700  52.80000 967.7000   35.20000 45.74761 1.126334  43.45538 0.7904979 2.292233       1.376050  
1 1 1 -8  2  27 o 85.46902 0.6876234 3743.309   60.22237 3586.300  149.6000 3849.100   100.8000 83.62083 1.745898  86.65636 1.135172  -3.035530      2.082492  
1 1 1 -8  2  28 o 83.92509 1.186069  0.000000   0.000000 ?         ?        3610.700   102.0000 ?        ?         83.92509 1.186069  0.000000       1.186069  
1 1 1 -8  2  29 o 42.09749 0.8669959 0.000000   0.000000 ?         ?        908.3000   37.40000 ?        ?         42.09749 0.8669959 0.000000       0.8669959 
1 1 1 -8  2  30 o 87.97532 1.198021  0.000000   0.000000 ?         ?        3968.500   108.0000 ?        ?         87.97532 1.198021  0.000000       1.198021  
1 1 1 -8  2  31 o 81.33173 1.121898  0.000000   0.000000 ?         ?        3391.900   93.50000 ?        ?         81.33173 1.121898  0.000000       1.121898  
1 1 1 -8  2  32 o 45.29642 0.4903967 1051.431   22.76197 1065.100  58.40000 1042.700   37.30000 45.54830 1.252434  45.10047 0.8071038 0.4478302      1.489969  
1 1 1 -8  2  33 o 58.37504 0.6481872 1746.671   38.77270 1942.400  80.50000 1564.800   74.80000 61.52055 1.276960  55.21463 1.322054  6.305923       1.838057  
1 1 1 -8  2  34 o 70.18864 0.7176241 2525.719   51.61337 2530.200  101.7000 2521.100   104.8000 70.18501 1.414094  70.05285 1.459947  0.1321564      2.032513  
1 1 1 -8  2  35 o 33.98067 1.208122  0.000000   0.000000 ?         ?        593.6000   42.00000 ?        ?         33.98067 1.208122  0.000000       1.208122  
1 1 1 -8  3  1  o 185.6384 1.229548  17658.39   233.8900 17991.30  407.0000 17208.60   549.9000 187.3599 2.119919  183.2121 2.929080  4.147812       3.615738  
1 1 1 -8  3  2  o 355.5826 2.299376  64805.73   837.8163 66829.20  1471.800 62131.70   1945.000 360.9551 3.979214  347.8649 5.456456  13.09021       6.753300  
1 1 1 -8  3  3  o 313.9368 2.045273  50510.54   657.9482 50959.70  1130.000 49884.50   1575.000 315.2392 3.498161  311.7621 4.930135  3.477112       6.045111  
1 1 1 -8  3  4  o 213.9510 1.413934  23456.25   309.9858 23839.90  540.8000 22941.00   726.3000 215.6630 2.447161  211.5187 3.350957  4.144287       4.149399  
1 1 1 -8  3  5  o 215.2067 1.425971  23732.46   314.4596 24007.40  545.1000 23357.60   743.2000 216.4188 2.458005  213.4280 3.398255  2.990768       4.194034  
1 1 1 -8  3  6  o 320.4828 2.088328  52639.72   685.8069 51717.80  1158.600 53977.00   1680.600 317.5695 3.560380  324.2819 5.057586  -6.712402      6.185102  
1 1 1 -8  3  7  o 196.1945 1.321597  19724.08   265.6956 19845.70  459.9000 19557.70   629.2000 196.7738 2.280855  195.3078 3.143915  1.466034       3.884134  
1 1 1 -8  3  8  o 85.05244 0.6662579 3706.432   58.06675 4163.500  107.7000 3171.700   126.0000 90.14124 1.165987  78.67252 1.562965  11.46872       1.949970  
1 1 1 -8  3  9  o 208.2165 1.393302  22215.79   297.2753 22396.30  512.7000 21966.70   707.5000 209.0311 2.393614  206.9747 3.335882  2.056320       4.105788  
1 1 1 -8  3  10 f 218.8090 1.458889  24534.10   327.1040 25132.90  573.7000 23739.80   761.0000 221.4266 2.528464  215.1564 3.451692  6.270172       4.278704  
1 1 1 -8  3  11 o 328.0428 2.144296  55155.54   720.7982 55507.70  1237.300 54664.10   1726.700 328.9718 3.670439  326.2905 5.164330  2.681274       6.335805  
1 1 1 -8  3  12 o 214.1408 1.461094  23498.79   320.6091 22350.50  518.4000 25360.10   840.3000 208.8102 2.422785  222.3524 3.688027  -13.54221      4.412644  
1 1 1 -8  3  13 o 226.6919 1.315647  26333.48   305.6144 25989.50  595.6000 26696.00   627.7000 225.1566 2.581497  228.1908 2.684452  -3.034241      3.724300  
1 1 1 -8  3  14 o 81.15448 0.5369958 3374.471   44.65620 3047.900  82.90000 3755.800   96.80000 77.12454 1.048971  85.61325 1.103408  -8.488708      1.522448  
1 1 1 -8  3  15 o 179.0807 1.067410  16433.19   195.8747 16422.30  391.3000 16444.10   392.2000 178.9870 2.133487  179.1056 2.136978  -0.1186066     3.019675  
1 1 1 -8  3  16 o 299.6940 1.698275  46034.89   521.5361 45336.50  1018.100 46768.40   1069.300 297.2521 3.342466  301.8947 3.456573  -4.642517      4.808324  
1 1 1 -8  3  17 o 52.01070 0.4496681 1386.012   23.96532 1362.000  44.90000 1413.500   51.40000 51.55621 0.8498985 52.52114 0.9550599 -0.9649353     1.278463  
1 1 1 -8  3  18 o 76.37663 0.5253659 2988.892   41.11693 2811.100  78.70000 3183.400   86.10000 74.06504 1.036963  78.81673 1.066072  -4.751686      1.487212  
1 1 1 -8  3  19 o 155.5538 0.9532610 12399.67   151.9466 12944.60  309.7000 11874.80   298.3000 158.8913 1.902141  152.1833 1.912880  6.707947       2.697639  
1 1 1 -8  3  20 f 87.21453 0.5828009 3897.450   52.08437 4173.300  108.0000 3640.500   100.6000 90.23737 1.167989  84.28059 1.164855  5.956787       1.649572  
1 1 1 -8  3  21 o 166.9945 1.011236  14291.71   173.0427 14288.50  352.5000 14294.80   339.9000 166.9084 2.061022  166.9514 1.986839  -0.4307556E-01 2.862751  
1 1 1 -8  3  22 o 147.3442 0.8982465 11125.67   135.6210 10614.00  260.0000 11683.60   283.5000 143.8726 1.763587  150.9429 1.832914  -7.070282      2.543583  
1 1 1 -8  3  23 o 104.7303 0.6819714 5620.431   73.18752 5726.900  153.0000 5522.800   140.3000 105.6952 1.412661  103.7983 1.319073  1.896835       1.932761  
1 1 1 -8  3  24 o 88.26653 0.7067193 3992.304   63.92068 4472.000  181.4000 3731.300   98.70000 93.37694 1.895829  85.32285 1.128895  8.054092       2.206484  
1 1 1 -8  3  25 o 126.6811 1.534543  0.000000   0.000000 ?         ?        8228.200   199.2000 ?        ?         126.6811 1.534543  0.000000       1.534543  
1 1 1 -8  3  26 o 93.95144 1.254773  0.000000   0.000000 ?         ?        4524.800   120.8000 ?        ?         93.95144 1.254773  0.000000       1.254773  
1 1 1 -8  3  27 o 54.29350 0.9490470 0.000000   0.000000 ?         ?        1510.800   52.80000 ?        ?         54.29350 0.9490470 0.000000       0.9490470 
1 1 1 -8  3  28 o 48.18906 0.7979017 0.000000   0.000000 ?         ?        1190.100   39.40000 ?        ?         48.18906 0.7979017 0.000000       0.7979017 
1 1 1 -8  3  29 o 35.00766 0.7972685 0.000000   0.000000 ?         ?        628.1000   28.60000 ?        ?         35.00766 0.7972685 0.000000       0.7972685 
1 1 1 -8  3  30 o 53.58572 0.8450269 0.000000   0.000000 ?         ?        1471.800   46.40000 ?        ?         53.58572 0.8450269 0.000000       0.8450269 
1 1 1 -8  3  31 o 48.18615 0.8182025 0.000000   0.000000 ?         ?        1190.200   40.40000 ?        ?         48.18615 0.8182025 0.000000       0.8182025 
1 1 1 -8  3  32 o 51.82230 0.4955788 1376.254   26.31648 1181.400  59.80000 1529.400   47.00000 47.97151 1.217504  54.61822 0.8397731 -6.646706      1.479032  
1 1 1 -8  3  33 o 64.87068 1.394546  0.000000   0.000000 ?         ?        2160.800   92.70000 ?        ?         64.87068 1.394546  0.000000       1.394546  
1 1 1 -8  3  34 o 25.63395 1.083640  0.000000   0.000000 ?         ?        337.8000   28.40000 ?        ?         25.63395 1.083640  0.000000       1.083640  
1 1 1 -8  4  1  o 174.6827 1.141209  15635.54   204.2741 15673.90  352.6000 15582.70   485.6000 174.8792 1.967641  174.3455 2.718127  0.5336914      3.355566  
1 1 1 -8  4  2  o 90.92786 0.6499902 4236.202   60.56227 4059.800  100.5000 4503.700   152.4000 89.01180 1.101844  93.74712 1.586458  -4.735321      1.931556  
1 1 1 -8  4  3  o 318.7826 2.058034  52083.48   672.2727 52616.30  1165.600 51357.40   1588.400 320.3053 3.551298  316.3107 4.900581  3.994537       6.052058  
1 1 1 -8  4  4  o 282.3474 1.828182  40855.24   528.9340 40858.30  909.8000 40851.00   1263.500 282.2866 3.145265  282.1613 4.369980  0.1253662      5.384182  
1 1 1 -8  4  5  o 330.8771 2.137825  56111.97   724.8318 56810.10  1264.200 55173.80   1698.900 332.8109 3.706977  327.8328 5.057281  4.978119       6.270388  
1 1 1 -8  4  6  o 125.2965 0.8628280 8043.989   110.7801 7965.600  188.1000 8156.300   269.5000 124.6776 1.472320  126.1504 2.084835  -1.472855      2.552305  
1 1 1 -8  4  7  o 520.4443 3.317034  138897.5   1768.978 138344.0  3000.000 139693.0   4311.000 518.9796 5.641214  520.8176 8.077816  -1.838074      9.852635  
1 1 1 -8  4  8  o 136.0676 0.9234687 9486.535   128.7583 9611.500  224.4000 9318.300   302.1000 136.9515 1.599034  134.8344 2.186512  2.117111       2.708827  
1 1 1 -8  4  9  o 175.5063 1.017114  15783.05   182.9198 15987.70  370.6000 15583.60   361.2000 176.6173 2.047735  174.3717 2.021498  2.245575       2.877442  
1 1 1 -8  4  10 o 289.5290 1.633224  42958.86   484.5473 42933.90  971.4000 42983.70   966.8000 289.3438 3.276314  289.5130 3.258893  -0.1691589     4.621106  
1 1 1 -8  4  11 o 22.97718 0.4150979 270.5010   9.773401 242.7000  19.80000 297.6000   19.30000 21.74560 0.8904615 24.08746 0.7829704 -2.341858      1.185734  
1 1 1 -8  4  12 o 119.5437 0.7343040 7322.250   89.94997 7321.900  180.0000 7322.600   179.8000 119.5315 1.469575  119.5372 1.467872  -0.5744934E-02 2.077089  
1 1 1 -8  4  13 o 182.7856 1.065021  17120.06   199.4797 16464.70  383.6000 17830.10   415.6000 179.2218 2.088764  186.5015 2.174677  -7.279678      3.015321  
1 1 1 -8  4  14 o 128.7167 0.7802416 8489.271   102.9111 8490.800  209.9000 8487.800   201.9000 128.7133 1.591442  128.6920 1.531040  0.2128601E-01  2.208341  
1 1 1 -8  4  15 o 117.9432 0.7246987 7127.635   87.58480 6574.400  163.3000 7767.600   188.9000 113.2621 1.407029  123.1097 1.497412  -9.847572      2.054744  
1 1 1 -8  4  16 o 192.0477 1.131436  18900.50   222.6576 18496.70  437.7000 19318.60   453.2000 189.9291 2.248986  194.1009 2.278578  -4.171860      3.201540  
1 1 1 -8  4  17 o 180.0630 1.053157  16615.15   194.3193 17007.40  401.7000 16247.60   376.4000 182.1183 2.152534  178.0098 2.063514  4.108505       2.981860  
1 1 1 -8  4  18 o 44.55382 0.3849561 1017.072   17.57496 1032.400  35.10000 1001.700   35.20000 44.88626 0.7631243 44.21375 0.7769391 0.6725159      1.089033  
1 1 1 -8  4  19 o 59.75608 0.4851887 1829.603   29.70921 2126.000  63.80000 1571.300   55.60000 64.40944 0.9666579 55.37275 0.9798967 9.036686       1.376454  
1 1 1 -8  4  20 o 58.98410 0.5317817 1782.664   32.14154 1695.600  73.70000 1850.000   57.00000 57.51638 1.250482  60.08340 0.9258103 -2.567024      1.555902  
1 1 1 -8  4  21 o 220.8076 1.480241  24994.70   334.9229 24784.70  812.1000 25142.10   570.0000 219.5640 3.609525  221.3372 2.513172  -1.773178      4.398261  
1 1 1 -8  4  22 o 69.46146 0.5944086 2472.289   42.30848 2378.000  97.40000 2544.700   74.80000 68.10881 1.395588  70.46425 1.035940  -2.355438      1.738056  
1 1 1 -8  4  23 o 139.0584 1.001564  9910.369   142.7166 9944.100  352.3000 9887.400   239.9000 139.1915 2.470025  138.8600 1.685989  0.3315582      2.990583  
1 1 1 -8  4  24 o 225.7172 1.543996  26122.53   357.1160 26705.70  893.0000 25733.90   595.1000 227.7956 3.825672  223.8829 2.594003  3.912674       4.622188  
1 1 1 -8  4  25 o 84.13898 0.7025462 3627.712   60.57180 3773.300  151.1000 3530.300   101.1000 85.77628 1.719091  82.98919 1.188861  2.787094       2.090135  
1 1 1 -8  4  26 o 47.00735 0.5320745 1132.254   25.62929 1260.400  66.00000 1050.900   41.90000 49.56668 1.300562  45.28281 0.9029887 4.283875       1.583304  
1 1 1 -8  4  27 o 87.27653 0.7042124 3903.475   62.97954 3705.800  146.8000 4052.000   110.3000 84.99722 1.685478  88.90382 1.210756  -3.906601      2.075275  
1 1 1 -8  4  28 o 62.80345 0.5496036 2021.143   35.36971 1901.800  87.00000 2102.900   59.60000 60.89758 1.394186  64.05322 0.9080439 -3.155643      1.663821  
1 1 1 -8  4  29 o 60.39296 0.4813100 1868.947   29.78582 1756.700  58.30000 1986.200   60.90000 58.53970 0.9718957 62.24683 0.9547765 -3.707123      1.362417  
1 1 1 -8  4  30 o 90.54502 0.6175308 4201.529   57.29564 4221.300  115.6000 4182.100   113.6000 90.72276 1.243492  90.30172 1.227677  0.4210434      1.747416  
1 1 1 -8  4  31 o 113.1702 0.8113641 6565.484   94.09057 6848.400  227.2000 6365.500   160.6000 115.4394 1.920683  111.3729 1.407238  4.066528       2.381038  
1 1 1 -8  4  32 o 31.62254 0.4325579 512.4440   14.01649 513.2000  33.50000 511.9000   24.10000 31.61443 1.035493  31.59973 0.7442782 0.1469994E-01  1.275224  
1 1 1 -8  4  33 o 9.772256 2.489867  0.000000   0.000000 ?         ?        51.20000   25.00000 ?        ?         9.772256 2.489867  0.000000       2.489867  
1 1 1 -8  4  34 o 34.54956 1.105848  0.000000   0.000000 ?         ?        613.3000   39.10000 ?        ?         34.54956 1.105848  0.000000       1.105848  
1 1 1 -8  5  1  o 17.81567 0.4356310 162.6223   7.952785 125.3000  26.30000 178.8000   11.40000 15.54620 1.677474  18.67114 0.5966139 -3.124945      1.780412  
1 1 1 -8  5  2  o 90.10622 0.6128657 4159.994   56.58724 4753.200  111.5000 3548.700   114.9000 96.31276 1.129777  83.21754 1.347432  13.09522       1.758399  
1 1 1 -8  5  3  o 295.0789 1.892695  44625.59   572.2914 45187.60  995.6000 43865.80   1346.000 296.8365 3.273175  292.3389 4.493245  4.497528       5.559040  
1 1 1 -8  5  4  o 369.8475 2.364565  70118.14   896.1327 71266.40  1566.200 68582.50   2094.600 372.6768 4.101252  365.3563 5.594821  7.320587       6.937023  
1 1 1 -8  5  5  o 229.8156 1.498737  27065.42   352.9421 26774.20  603.1000 27476.30   850.9000 228.5309 2.575407  231.4433 3.587861  -2.912323      4.416500  
1 1 1 -8  5  6  o 59.80768 0.4229683 1832.691   25.92168 2117.500  57.50000 1598.900   47.20000 64.28543 0.8728848 55.86157 0.8245757 8.423862       1.200772  
1 1 1 -8  5  7  o 83.98378 0.5400802 3613.857   46.47849 3530.000  91.00000 3701.400   95.00000 83.00042 1.069948  84.99141 1.090813  -1.990990      1.527960  
1 1 1 -8  5  8  o 120.8187 0.7206985 7479.251   89.22493 7481.900  178.3000 7476.600   178.6000 120.8312 1.440037  120.7884 1.442972  0.4284668E-01  2.038596  
1 1 1 -8  5  9  f 93.83591 0.5938317 4511.506   57.09930 4513.200  113.8000 4509.800   114.6000 93.84866 1.183357  93.81320 1.192126  0.3545380E-01  1.679732  
1 1 1 -8  5  10 o 79.18200 0.5131820 3212.428   41.63861 3101.600  80.20000 3332.100   86.60000 77.80106 1.005983  80.63984 1.048021  -2.838783      1.452704  
1 1 1 -8  5  11 o 98.55854 0.6260344 4977.101   63.22530 5113.800  129.0000 4845.700   124.0000 99.89600 1.260211  97.24236 1.244423  2.653641       1.771079  
1 1 1 -8  5  12 o 251.6227 1.436115  32447.51   370.2862 33269.80  758.8000 31663.80   723.2000 254.6882 2.907503  248.4710 2.840431  6.217133       4.064680  
1 1 1 -8  5  13 o 147.1223 0.8797260 11091.03   132.6246 11041.90  265.7000 11140.00   264.8000 146.7720 1.766648  147.4230 1.752888  -0.6510468     2.488707  
1 1 1 -8  5  14 o 156.3696 0.9335315 12529.45   149.5822 11850.40  286.5000 13271.30   313.0000 152.0437 1.838898  160.8982 1.898431  -8.854477      2.643026  
1 1 1 -8  5  15 o 135.6959 0.8308241 9435.273   115.5246 9449.200  231.5000 9421.400   230.6000 135.7714 1.663965  135.5717 1.659938  0.1997070      2.350357  
1 1 1 -8  5  16 o 105.8135 0.6608313 5737.044   71.65228 5427.200  139.7000 6063.300   147.1000 102.9030 1.324861  108.7665 1.319834  -5.863510      1.870085  
1 1 1 -8  5  17 o 71.22368 0.5966181 2599.273   43.54308 2689.600  106.0000 2536.300   73.90000 72.43693 1.428063  70.35011 1.025136  2.086815       1.757916  
1 1 1 -8  5  18 o 18.39608 0.5803682 173.5750   10.92656 237.4000  25.90000 127.0000   18.90000 21.48955 1.180718  15.69684 1.183759  5.792709       1.671939  
1 1 1 -8  5  19 o 61.28193 0.5431477 1924.273   34.10741 1946.600  89.00000 1910.400   55.30000 61.62288 1.409450  61.05677 0.8838792 0.5661125      1.663668  
1 1 1 -8  5  20 o 138.2837 1.050742  9800.326   148.8899 9371.800  376.7000 10080.40   246.2000 135.1110 2.720863  140.2108 1.713595  -5.099792      3.215510  
1 1 1 -8  5  21 f 114.3550 0.8187796 6701.348   95.94463 6571.500  226.6000 6796.700   166.4000 113.1908 1.953667  115.1440 1.410307  -1.953239      2.409519  
1 1 1 -8  5  22 o 124.3137 0.9062362 7919.771   115.4407 8518.400  293.7000 7532.100   190.2000 128.8472 2.224490  121.2055 1.531404  7.641754       2.700659  
1 1 1 -8  5  23 o 71.77028 0.5895364 2639.398   43.35645 2665.900  107.2000 2621.400   72.80000 72.10993 1.450779  71.51804 0.9933846 0.5918961      1.758287  
1 1 1 -8  5  24 o 62.62248 0.5541686 2009.431   35.56072 2183.400  93.20000 1902.100   57.50000 65.25936 1.393717  60.92162 0.9210814 4.337738       1.670580  
1 1 1 -8  5  25 o 92.88992 0.6264924 4421.472   59.63247 4486.900  124.8000 4361.600   114.2000 93.55281 1.301845  92.24119 1.208211  1.311623       1.776112  
1 1 1 -8  5  26 o 114.0020 0.7354006 6660.234   85.90826 6286.500  161.3000 7086.100   183.8000 110.7238 1.421657  117.5474 1.525928  -6.823578      2.085561  
1 1 1 -8  5  27 o 103.8365 0.6611087 5525.313   70.34303 5636.100  139.3000 5412.300   142.1000 104.8418 1.296637  102.7358 1.349814  2.106003       1.871701  
1 1 1 -8  5  28 o 49.83142 0.4057427 1272.371   20.71821 1208.400  40.70000 1338.700   42.20000 48.55590 0.8180014 51.10703 0.8058115 -2.551128      1.148242  
1 1 1 -8  5  29 o 39.33793 0.3851178 792.9269   15.52399 740.8000  30.80000 845.9000   31.30000 38.01705 0.7906311 40.62523 0.7518827 -2.608181      1.091066  
1 1 1 -8  5  30 o 26.34344 0.3812863 355.6012   10.29253 284.1000  18.90000 441.1000   22.60000 23.52908 0.7849951 29.32545 0.7527046 -5.796370      1.087558  
1 1 1 -8  5  31 o 85.53303 0.5533510 3749.458   48.49902 3868.000  102.2000 3642.400   92.30000 86.83080 1.148626  84.26798 1.068909  2.562820       1.569047  
1 1 1 -8  5  32 o 128.6334 0.9241489 8486.497   121.8131 8748.600  218.3000 8155.600   275.6000 130.4604 1.632964  125.8157 2.137696  4.644730       2.690040  
1 1 1 -8  5  33 o 9.799920 1.172896  50.00346   11.54459 40.40000  23.60000 59.20000   22.60000 8.739730 2.505733  10.52340 2.167998  -1.783666      3.313444  
1 1 1 -8  6  1  o 120.7792 2.112911  7478.100   261.5000 7478.100  261.5000 ?          ?        120.7792 2.112911  ?        ?         0.000000       2.112911  
1 1 1 -8  6  2  o 197.7410 1.319866  20037.88   267.4391 20385.20  665.1000 19804.30   447.3000 199.3420 3.256039  196.5477 2.220919  2.794373       3.941354  
1 1 1 -8  6  3  o 77.22572 0.4804920 3055.653   38.02301 3035.500  75.50000 3076.100   76.60000 76.96754 0.9572844 77.48049 0.9648016 -0.5129471     1.359131  
1 1 1 -8  6  4  o 160.2193 0.9057558 13153.44   148.7046 12911.40  292.3000 13404.10   302.7000 158.7160 1.797255  161.7150 1.826686  -2.998947      2.562598  
1 1 1 -8  6  5  o 41.19045 0.3195850 869.2942   13.48905 730.9000  24.00000 1046.900   30.80000 37.76896 0.6201230 45.20195 0.6649595 -7.432991      0.9092435 
1 1 1 -8  6  6  o 190.0141 1.077607  18501.22   209.8190 18526.40  421.9000 18476.30   417.4000 190.1033 2.165816  189.8471 2.145607  0.2562408      3.048670  
1 1 1 -8  6  7  o 134.9594 0.7886889 9332.715   109.0705 8924.700  208.1000 9782.100   229.2000 131.9621 1.538950  138.1534 1.619029  -6.191330      2.233747  
1 1 1 -8  6  8  o 234.1094 1.319964  28086.91   316.6499 28185.80  633.6000 27988.10   633.0000 234.4422 2.637430  233.6180 2.644229  0.8242188      3.734701  
1 1 1 -8  6  9  o 176.2806 1.023539  15923.54   184.8874 15935.80  378.0000 15911.80   361.9000 176.3085 2.092282  176.1800 2.004627  0.1284943      2.897615  
1 1 1 -8  6  10 o 228.2195 1.288746  26691.83   301.3827 27050.50  613.5000 26345.50   592.4000 229.6623 2.606913  226.6545 2.550659  3.007767       3.647171  
1 1 1 -8  6  11 o 43.92051 0.3582886 988.3521   16.12496 954.7000  32.30000 1021.900   32.20000 43.16495 0.7302523 44.65841 0.7036461 -1.493462      1.014094  
1 1 1 -8  6  12 o 137.8963 0.8395725 9743.729   118.6340 9349.800  243.0000 10119.50   231.8000 135.0528 1.755919  140.5076 1.609960  -5.454865      2.382272  
1 1 1 -8  6  13 o 218.3400 1.454793  24434.70   325.4864 22924.70  745.2000 25605.70   577.9000 211.2939 3.441815  223.4217 2.524230  -12.12785      4.268235  
1 1 1 -8  6  14 o 19.69489 0.4667473 198.7446   9.419628 169.9000  18.40000 229.0000   19.30000 18.18126 0.9913839 21.12074 0.8937840 -2.939484      1.334800  
1 1 1 -8  6  15 o 79.32246 0.6556475 3224.064   53.29235 3529.500  131.3000 3015.400   89.70000 82.97615 1.544234  76.70492 1.141224  6.271233       1.920169  
1 1 1 -8  6  16 o 67.39741 0.5507733 2327.490   38.03772 2335.300  94.20000 2322.200   63.80000 67.49728 1.361966  67.31612 0.9249181 0.1811600      1.646337  
1 1 1 -8  6  17 o 89.74481 0.6861336 4127.062   63.09813 4278.200  155.9000 4024.300   106.0000 91.34563 1.665559  88.61007 1.167413  2.735558       2.033947  
1 1 1 -8  6  18 o 68.51459 0.6011766 2405.344   42.20691 2399.900  101.8000 2409.200   72.10000 68.42069 1.451984  68.56300 1.026235  -0.1423111     1.778038  
1 1 1 -8  6  19 o 80.89194 0.6525108 3352.987   54.08681 3711.100  144.9000 3139.700   86.30000 85.07373 1.662166  78.26867 1.076030  6.805061       1.980060  
1 1 1 -8  6  20 o 83.62688 0.6737354 3583.592   57.73426 3521.700  139.3000 3627.400   98.60000 82.87415 1.640339  84.12585 1.143797  -1.251701      1.999746  
1 1 1 -8  6  21 o 240.0640 1.617153  29551.05   397.8108 29560.20  970.8000 29544.70   674.0000 239.6208 3.953730  239.8569 2.742264  -0.2361603     4.811651  
1 1 1 -8  6  22 o 61.07084 0.4575116 1911.021   28.63086 1923.700  59.60000 1899.300   55.10000 61.26625 0.9493504 60.87766 0.8832737 0.3885994      1.296703  
1 1 1 -8  6  23 o 63.19018 0.4830998 2045.985   31.28130 1816.200  58.60000 2309.100   67.10000 59.52904 0.9606615 67.12222 0.9755687 -7.593178      1.369162  
1 1 1 -8  6  24 o 221.1134 1.275255  25064.78   288.9418 25370.00  586.2000 24768.10   569.8000 222.2471 2.574017  219.6037 2.532121  2.643417       3.610706  
1 1 1 -8  6  25 o 116.6336 0.7319365 6971.312   87.47731 7189.100  181.0000 6767.600   169.3000 118.3989 1.491875  114.8795 1.438190  3.519470       2.072216  
1 1 1 -8  6  26 o 148.7535 0.8872788 11341.43   135.2464 11489.90  271.9000 11194.50   269.1000 149.6388 1.773237  147.7021 1.777988  1.936691       2.511097  
1 1 1 -8  6  27 o 86.05575 0.5862760 3794.999   51.69879 3847.200  103.9000 3743.300   102.9000 86.62074 1.170564  85.44279 1.175281  1.177940       1.658766  
1 1 1 -8  6  28 f 66.17538 0.4893580 2244.037   33.18345 2262.000  68.80000 2227.300   64.10000 66.42258 1.010821  65.91376 0.9490377 0.5088120      1.386518  
1 1 1 -8  6  29 f 79.08699 0.5342414 3205.364   43.29532 3211.400  85.70000 3199.200   87.50000 79.13521 1.056848  78.98312 1.081124  0.1520920      1.511872  
1 1 1 -8  6  30 o 50.00749 0.4293127 1281.500   21.99922 1282.400  50.30000 1280.800   39.10000 50.00557 0.9816378 49.98388 0.7633935 0.2169037E-01  1.243536  
1 1 1 -8  6  31 o 20.22847 0.4780807 209.7083   9.909750 302.4000  21.90000 133.1000   18.10000 24.26695 0.8821731 16.06795 1.106056  8.198997       1.414776  
1 1 1 -8  6  32 o 70.83316 0.7018028 2572.459   50.93896 2733.800  103.4000 2415.800   100.4000 72.94634 1.383307  68.56630 1.428975  4.380043       1.988846  
1 1 1 -8  7  1  o 53.84396 1.245149  0.000000   0.000000 ?         ?        1485.800   68.70000 ?        ?         53.84396 1.245149  0.000000       1.245149  
1 1 1 -8  7  2  f 63.78965 0.4601415 2084.896   30.07738 1594.100  90.70000 2328.400   45.00000 55.74472 1.589457  67.41071 0.6514563 -11.66599      1.717780  
1 1 1 -8  7  3  o 201.0089 1.135839  20705.84   233.9539 20904.00  478.8000 20516.50   457.5000 201.8996 2.314304  200.0258 2.232064  1.873779       3.215294  
1 1 1 -8  7  4  o 232.8727 1.315491  27792.71   313.9097 28669.10  651.5000 26977.80   605.8000 236.4073 2.689398  229.3393 2.577819  7.068039       3.725321  
1 1 1 -8  7  5  o 116.7289 0.6985622 6981.695   83.55682 6972.900  171.0000 6990.100   163.4000 116.6401 1.430704  116.7857 1.365413  -0.1455612     1.977693  
1 1 1 -8  7  6  o 74.81989 0.4940673 2868.274   37.87927 2545.700  70.40000 3244.000   82.00000 70.48296 0.9747431 79.56438 1.005766  -9.081421      1.400603  
1 1 1 -8  7  7  o 64.32586 0.4317879 2120.088   28.46128 2099.700  58.20000 2139.600   55.70000 64.01244 0.8872790 64.61823 0.8412048 -0.6057892     1.222657  
1 1 1 -8  7  8  o 95.30840 0.6008707 4654.354   58.68276 4576.500  114.3000 4736.500   120.6000 94.49899 1.180377  96.13577 1.224233  -1.636780      1.700598  
1 1 1 -8  7  9  o 53.48151 0.4619098 1465.526   25.31391 1342.100  57.70000 1562.000   45.10000 51.17496 1.100322  55.21152 0.7971655 -4.036556      1.358743  
1 1 1 -8  7  10 o 44.80035 0.4009852 1028.361   18.40806 1300.800  50.40000 871.6000   29.00000 50.38237 0.9762331 41.24330 0.6861929 9.139072       1.193269  
1 1 1 -8  7  11 o 210.6738 1.410844  22749.89   304.5705 22616.40  725.4000 22846.50   525.0000 209.8387 3.373599  211.0303 2.427818  -1.191574      4.156377  
1 1 1 -8  7  12 o 181.0855 1.239275  16807.11   229.9587 16797.40  540.4000 16814.30   400.3000 180.8847 2.915514  181.0576 2.157597  -0.1729431     3.627044  
1 1 1 -8  7  13 o 23.05100 0.5568287 272.2588   13.15254 247.4000  24.00000 302.4000   29.10000 21.94509 1.070503  24.26185 1.173982  -2.316769      1.588777  
1 1 1 -8  7  14 o 191.4540 1.275968  18788.18   250.3239 19449.40  633.4000 18356.10   413.9000 194.5754 3.176814  189.1661 2.135274  5.409286       3.827733  
1 1 1 -8  7  15 o 116.5362 0.8282154 6959.395   98.90145 6967.700  235.9000 6953.400   170.3000 116.5547 1.975149  116.4646 1.426995  0.9008789E-01  2.436704  
1 1 1 -8  7  16 o 24.59871 0.4199294 310.0377   10.58490 229.4000  20.40000 397.0000   22.00000 21.13613 0.9442876 27.82322 0.7723911 -6.687094      1.219946  
1 1 1 -8  7  17 o 86.58136 0.6382683 3841.220   56.62732 3832.700  134.7000 3847.400   97.70000 86.46108 1.520367  86.64075 1.100459  -0.1796646     1.876840  
1 1 1 -8  7  18 o 83.92706 0.6546404 3609.348   56.29932 3756.200  138.2000 3508.400   95.00000 85.59076 1.575734  82.73472 1.120566  2.856041       1.933547  
1 1 1 -8  7  19 o 63.66446 0.4663670 2076.788   30.42449 2001.200  60.60000 2153.000   61.10000 62.48848 0.9463990 64.81568 0.9199469 -2.327206      1.319838  
1 1 1 -8  7  20 o 89.99878 0.5796263 4150.395   53.45436 3899.400  101.2000 4431.400   113.3000 87.22153 1.132292  92.97922 1.189175  -5.757690      1.642018  
1 1 1 -8  7  21 o 98.92363 0.6503150 5014.545   65.92076 5141.900  139.6000 4900.600   124.9000 100.1474 1.360340  97.77427 1.246636  2.373123       1.845162  
1 1 1 -8  7  22 o 62.10393 0.4668169 1976.245   29.70736 2205.100  64.60000 1781.400   55.00000 65.59294 0.9611187 58.95642 0.9104020 6.636517       1.323851  
1 1 1 -8  7  23 o 124.8828 0.7676998 7992.399   98.24093 8085.700  202.4000 7904.400   190.9000 125.5618 1.573093  124.1517 1.500565  1.410103       2.174010  
1 1 1 -8  7  24 o 16.93944 0.4858545 147.1535   8.424706 105.8000  15.40000 197.1000   18.60000 14.32755 1.056368  19.58777 0.9293296 -5.260226      1.406971  
1 1 1 -8  7  25 o 98.04430 0.6253327 4926.066   62.82491 5023.100  125.5000 4828.800   125.8000 98.97630 1.237411  97.04145 1.265100  1.934853       1.769651  
1 1 1 -8  7  26 o 130.2954 0.8101767 8701.576   108.1701 8649.900  212.8000 8755.000   220.0000 129.8336 1.599507  130.6143 1.643741  -0.7807465     2.293536  
1 1 1 -8  7  27 o 67.93282 0.4834872 2364.825   33.65604 2404.700  70.50000 2328.400   64.40000 68.48452 1.004612  67.39257 0.9325573 1.091949       1.370733  
1 1 1 -8  7  28 o 128.1478 0.7785289 8418.060   102.2314 8271.800  199.3000 8572.100   209.9000 126.9366 1.532223  129.2113 1.585308  -2.274620      2.204747  
1 1 1 -8  7  29 o 34.77993 0.3471159 619.8418   12.37091 611.3000  24.30000 628.7000   25.20000 34.53309 0.6867085 35.02072 0.7022263 -0.4876289     0.9821864 
1 1 1 -8  7  30 o 12.63215 0.6997799 82.05783   9.022702 71.30000  21.40000 89.90000   15.60000 11.62854 1.858474  13.18370 1.166786  -1.555166      2.194383  
1 1 1 -8  7  31 o 49.60325 0.6417989 1261.402   32.62177 1311.900  65.90000 1211.900   64.60000 50.52520 1.273871  48.55708 1.299488  1.968117       1.819730  
1 1 1 -8  8  1  o 89.03416 1.606863  0.000000   0.000000 ?         ?        4064.100   146.6000 ?        ?         89.03416 1.606863  0.000000       1.606863  
1 1 1 -8  8  2  o 97.34031 0.9103215 0.000000   0.000000 ?         ?        4855.600   90.80000 ?        ?         97.34031 0.9103215 0.000000       0.9103215 
1 1 1 -8  8  3  o 268.9821 1.546469  37091.10   426.2487 38728.50  1221.900 36213.90   654.6000 274.3015 4.347195  265.6722 2.404537  8.629303       4.967887  
1 1 1 -8  8  4  o 157.0582 0.9043286 12640.85   145.5410 12962.80  295.6000 12328.60   286.7000 158.9977 1.814326  155.0602 1.804385  3.937531       2.558824  
1 1 1 -8  8  5  o 201.0109 1.329837  20710.76   273.9154 20948.20  655.0000 20540.10   470.8000 201.9558 3.165093  200.0952 2.296157  1.860687       3.910262  
1 1 1 -8  8  6  o 57.59090 0.4673627 1699.416   27.58076 1691.600  63.60000 1705.400   48.70000 57.45155 1.080331  57.68892 0.8238311 -0.2373657     1.358607  
1 1 1 -8  8  7  o 91.15108 0.6664904 4257.364   62.25211 4201.700  144.1000 4299.700   109.6000 90.53069 1.553352  91.59253 1.167756  -1.061836      1.943336  
1 1 1 -8  8  8  o 86.29452 0.6366759 3815.756   56.29891 3565.400  130.7000 4005.200   98.90000 83.39457 1.529465  88.40169 1.091786  -5.007118      1.879164  
1 1 1 -8  8  9  f 186.2294 1.230246  17776.26   234.7679 17599.60  557.4000 17904.80   405.6000 185.1258 2.938337  186.8273 2.118650  -1.701492      3.622499  
1 1 1 -8  8  10 o 86.40621 0.6189957 3825.638   54.80636 3800.000  130.1000 3844.300   94.70000 86.09507 1.474690  86.60774 1.067075  -0.5126724     1.820263  
1 1 1 -8  8  11 o 26.25171 0.4064768 353.1047   10.93432 314.7000  23.70000 386.0000   20.30000 24.76291 0.9356862 27.43641 0.7226843 -2.673500      1.182278  
1 1 1 -8  8  12 o 28.70730 0.4593731 422.2591   13.51314 415.9000  24.20000 430.3000   30.60000 28.47629 0.8302283 28.95742 1.032903  -0.4811306     1.325204  
1 1 1 -8  8  13 o 88.65914 0.6641338 4027.830   60.33613 4011.500  141.3000 4040.000   105.3000 88.45366 1.558935  88.78138 1.157466  -0.3277206     1.941650  
1 1 1 -8  8  14 o 42.40480 0.4053764 921.3400   17.61456 892.8000  39.80000 944.0000   31.60000 41.73845 0.9305685 42.92083 0.7184899 -1.182373      1.175664  
1 1 1 -8  8  15 o 11.45461 0.6781767 67.46981   7.924528 17.80000  15.00000 123.1000   16.80000 6.089157 2.040904  15.46102 1.066951  -9.371859      2.302971  
1 1 1 -8  8  16 o 63.34083 0.4292716 2055.707   27.86213 2096.400  58.50000 2018.700   53.20000 63.95848 0.8926049 62.76315 0.8271962 1.195335       1.216962  
1 1 1 -8  8  17 o 76.00281 0.4867056 2959.793   37.90481 3048.800  77.60000 2874.800   74.10000 77.12798 0.9818642 74.89512 0.9655312 2.232857       1.377065  
1 1 1 -8  8  18 o 118.0461 0.7345957 7140.871   88.85840 6987.800  185.1000 7282.200   170.9000 116.7374 1.547383  119.1800 1.399395  -2.442528      2.086313  
1 1 1 -8  8  19 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -8  8  20 o 90.50739 0.5698277 4197.485   52.84768 4230.200  106.4000 4165.200   105.0000 90.84279 1.143017  90.14240 1.136742  0.7003860      1.612039  
1 1 1 -8  8  21 o 32.55373 0.5465899 543.0286   18.23310 715.3000  38.30000 386.5000   34.80000 37.34350 1.001793  27.42905 1.241358  9.914452       1.595167  
1 1 1 -8  8  22 o 122.8506 0.7422647 7734.496   93.44035 7539.300  185.0000 7933.700   188.8000 121.2444 1.489058  124.3759 1.481383  -3.131523      2.100426  
1 1 1 -8  8  23 o 83.95314 0.5421115 3611.665   46.63628 3652.300  94.90000 3572.400   91.70000 84.40452 1.097241  83.47733 1.072019  0.9271851      1.534002  
1 1 1 -8  8  24 o 135.5273 0.8690765 9414.807   120.6933 9495.100  243.2000 9335.700   239.6000 136.0141 1.744943  134.8691 1.733708  1.144974       2.459791  
1 1 1 -8  8  25 o 24.27140 0.3950232 301.8584   9.824619 237.5000  18.70000 373.1000   20.70000 21.50821 0.8501496 26.96990 0.7497462 -5.461687      1.133523  
1 1 1 -8  8  26 o 76.24602 0.5310988 2979.192   41.49453 3026.900  85.30000 2934.000   80.80000 76.82731 1.083515  75.64172 1.042441  1.185585       1.503559  
1 1 1 -8  8  27 o 61.88035 0.4484855 1962.259   28.43804 2093.000  60.20000 1845.200   53.90000 63.88918 0.9195403 59.99018 0.8768196 3.899006       1.270577  
1 1 1 -8  8  28 o 71.79458 0.4929560 2641.638   36.26588 2719.300  73.70000 2566.400   71.40000 72.81155 0.9877995 70.73515 0.9850644 2.076408       1.395027  
1 1 1 -8  8  29 o 48.68758 0.4045583 1214.793   20.18356 1330.300  44.70000 1119.700   36.80000 50.92982 0.8565190 46.72946 0.7685263 4.200363       1.150764  
1 1 1 -8  8  30 o 3.658669 1.583112  -1.515718  10.90524 11.00000  20.20000 -16.20000  23.70000 5.917861 2.308203  4.751248 2.172939  1.166614       3.170089  
1 1 1 -8  9  1  o 145.6541 2.533963  0.000000   0.000000 ?         ?        10890.60   378.2000 ?        ?         145.6541 2.533963  0.000000       2.533963  
1 1 1 -8  9  2  o 181.1729 1.631577  0.000000   0.000000 ?         ?        16830.60   302.9000 ?        ?         181.1729 1.631577  0.000000       1.631577  
1 1 1 -8  9  3  o 158.0457 1.462796  0.000000   0.000000 ?         ?        12805.90   236.9000 ?        ?         158.0457 1.462796  0.000000       1.462796  
1 1 1 -8  9  4  f 87.42335 0.8673516 0.000000   0.000000 ?         ?        3916.700   77.70000 ?        ?         87.42335 0.8673516 0.000000       0.8673516 
1 1 1 -8  9  5  o 158.6756 1.821083  0.000000   0.000000 ?         ?        12912.70   296.1000 ?        ?         158.6756 1.821083  0.000000       1.821083  
1 1 1 -8  9  6  o 115.2388 0.7844997 6805.277   92.63818 6413.300  208.2000 7119.500   166.9000 111.8260 1.816936  117.8465 1.382106  -6.020561      2.282865  
1 1 1 -8  9  7  o 105.5558 0.7455309 5709.599   80.63921 5664.300  190.0000 5743.000   140.1000 105.0958 1.764290  105.8464 1.291706  -0.7506027     2.186601  
1 1 1 -8  9  8  o 44.58141 0.3845661 1018.346   17.56803 970.6000  38.10000 1059.200   32.60000 43.51987 0.8543563 45.46450 0.6997563 -1.944630      1.104348  
1 1 1 -8  9  9  o 97.29589 0.6762615 4850.863   67.42292 4773.800  158.2000 4908.100   117.5000 96.48849 1.600047  97.85432 1.171816  -1.365829      1.983255  
1 1 1 -8  9  10 o 52.35794 0.4596481 1404.631   24.66075 1524.700  63.30000 1328.000   40.40000 54.54062 1.132623  50.90656 0.7744784 3.634060       1.372097  
1 1 1 -8  9  11 o 83.56604 0.5260330 3578.216   45.04445 3530.600  89.10000 3626.900   91.10000 82.99727 1.047648  84.12130 1.056852  -1.124031      1.488120  
1 1 1 -8  9  12 o 177.6651 1.010160  16177.69   183.9038 16230.80  371.8000 16125.70   363.9000 177.8661 2.039942  177.2936 2.003045  0.5725250      2.858942  
1 1 1 -8  9  13 o 101.6519 0.6256237 5294.882   65.16693 5182.200  128.9000 5410.100   131.8000 100.5448 1.251108  102.7319 1.252022  -2.187012      1.769980  
1 1 1 -8  9  14 o 17.60861 0.4456561 158.9739   8.034782 240.0000  16.80000 84.70000   15.40000 21.62777 0.7592300 12.79956 1.187709  8.828208       1.409639  
1 1 1 -8  9  15 o 76.94713 0.4917397 3033.820   38.77270 3095.400  80.50000 2976.600   74.80000 77.71354 1.010883  76.20904 0.9578484 1.504501       1.392608  
1 1 1 -8  9  16 o 25.72004 0.4142024 338.9524   10.91648 269.8000  19.50000 426.9000   24.80000 22.92964 0.8313010 28.84958 0.8398007 -5.919939      1.181663  
1 1 1 -8  9  17 o 123.4555 0.7372031 7810.491   93.26013 7905.200  193.3000 7722.200   180.2000 124.1605 1.519323  122.7209 1.432973  1.439636       2.088481  
1 1 1 -8  9  18 o 59.19851 0.9726192 1796.200   59.00000 1796.200  59.00000 ?          ?        59.19851 0.9726192 ?        ?         0.000000       0.9726192 
1 1 1 -8  9  19 o 189.7919 1.084112  18464.86   210.8386 18435.70  424.8000 18493.60   418.6000 189.4929 2.187727  189.7966 2.152348  -0.3036957     3.068999  
1 1 1 -8  9  20 o 137.5979 0.8177581 9703.584   115.3015 9314.200  223.3000 10119.30   238.4000 134.7457 1.617244  140.4442 1.656548  -5.698517      2.315087  
1 1 1 -8  9  21 o 75.59064 0.5015612 2927.941   38.84994 2896.200  77.80000 2959.600   77.60000 75.16447 1.010110  75.98326 0.9966562 -0.8187943     1.419030  
1 1 1 -8  9  22 o 71.62608 0.4942003 2628.897   36.27209 2561.600  73.20000 2695.000   71.90000 70.68705 1.010585  72.50610 0.9677340 -1.819046      1.399211  
1 1 1 -8  9  23 o 123.5794 0.7438621 7827.512   94.19698 8065.700  191.7000 7597.400   185.2000 125.3744 1.492158  121.6812 1.485317  3.693237       2.105399  
1 1 1 -8  9  24 o 96.09843 0.5978836 4732.843   58.87505 4946.600  124.0000 4539.600   112.1000 98.20007 1.232286  94.07957 1.162818  4.120491       1.694307  
1 1 1 -8  9  25 o 53.41479 0.4281038 1462.058   23.43198 1508.100  48.20000 1418.500   45.60000 54.23513 0.8672972 52.60023 0.8460165 1.634907       1.211589  
1 1 1 -8  9  26 o 49.36994 0.4802083 1249.123   24.29353 1242.700  50.40000 1255.100   46.90000 49.22177 0.9992518 49.47066 0.9251811 -0.2488899     1.361787  
1 1 1 -8  9  27 o 53.56529 0.4122656 1470.390   22.62867 1431.100  43.30000 1513.400   47.40000 52.82846 0.7998740 54.32322 0.8515193 -1.494759      1.168282  
1 1 1 -8  9  28 o 7.293117 1.031968  27.83600   7.497000 44.30000  14.70000 10.70000   15.30000 9.144705 1.628440  5.374630 2.030843  3.770075       2.603102  
1 1 1 -8  9  29 o 39.37059 0.5347608 794.5504   21.57396 800.5000  44.70000 789.0000   41.70000 39.47119 1.106261  39.19296 1.039233  0.2782249      1.517833  
1 1 1 -8  10 1  o 49.60139 0.7732152 0.000000   0.000000 ?         ?        1260.800   39.30000 ?        ?         49.60139 0.7732152 0.000000       0.7732152 
1 1 1 -8  10 2  o 136.5270 1.236600  0.000000   0.000000 ?         ?        9555.100   173.0000 ?        ?         136.5270 1.236600  0.000000       1.236600  
1 1 1 -8  10 3  o 25.79764 0.4161159 0.000000   0.000000 ?         ?        341.0000   11.00000 ?        ?         25.79764 0.4161159 0.000000       0.4161159 
1 1 1 -8  10 4  o 55.93995 0.6140762 0.000000   0.000000 ?         ?        1603.500   35.20000 ?        ?         55.93995 0.6140762 0.000000       0.6140762 
1 1 1 -8  10 5  o 59.41115 0.6439020 0.000000   0.000000 ?         ?        1808.700   39.20000 ?        ?         59.41115 0.6439020 0.000000       0.6439020 
1 1 1 -8  10 6  o 49.30781 0.7441727 0.000000   0.000000 ?         ?        1245.900   37.60000 ?        ?         49.30781 0.7441727 0.000000       0.7441727 
1 1 1 -8  10 7  o 182.2373 1.043865  17021.89   194.9305 16199.80  378.7000 17893.90   401.7000 177.6821 2.079951  186.7392 2.099269  -9.057022      2.955186  
1 1 1 -8  10 8  o 71.21964 0.4552613 2598.960   33.22453 2569.800  66.70000 2627.900   66.20000 70.81104 0.9192348 71.60743 0.9021972 -0.7963867     1.288003  
1 1 1 -8  10 9  o 66.78113 0.4470699 2285.108   30.59338 2161.700  60.30000 2412.200   62.10000 64.94566 0.9060848 68.60602 0.8833464 -3.660362      1.265421  
1 1 1 -8  10 10 o 151.4656 0.8761786 11757.55   135.9894 11780.10  274.4000 11735.40   269.6000 151.5464 1.767015  151.2613 1.739377  0.2851410      2.479470  
1 1 1 -8  10 11 o 157.1716 0.9285509 12660.60   149.5471 12815.70  308.1000 12514.30   290.6000 158.0513 1.902372  156.1909 1.815689  1.860352       2.629780  
1 1 1 -8  10 12 o 75.34691 0.4878740 2908.964   37.66791 2836.200  73.20000 2986.100   77.60000 74.38898 0.9602937 76.32860 0.9921470 -1.939613      1.380768  
1 1 1 -8  10 13 o 97.60992 0.6052969 4882.228   60.54255 5104.500  128.6000 4684.500   114.4000 99.78360 1.257718  95.59441 1.167872  4.189186       1.716327  
1 1 1 -8  10 14 o 150.1047 0.8652484 11547.47   133.0863 11660.00  268.9000 11437.20   263.5000 150.7655 1.740566  149.3200 1.722123  1.445450       2.448526  
1 1 1 -8  10 15 o 43.18284 0.3704558 955.4681   16.39253 956.3000  32.10000 954.6000   33.50000 43.19805 0.7251745 43.15919 0.7574834 0.3885269E-01  1.048646  
1 1 1 -8  10 16 o 10.59082 0.7913792 57.80526   8.526316 75.00000  16.20000 38.70000   18.00000 12.01999 1.337911  8.513922 2.081042  3.506069       2.474013  
1 1 1 -8  10 17 o 10.06377 0.7868351 52.22360   8.049689 56.50000  16.20000 48.00000   16.00000 10.37827 1.572529  9.529541 1.700920  0.8487329      2.316458  
1 1 1 -8  10 18 o 123.1157 0.7282460 7768.175   91.87347 7688.000  184.5000 7847.700   183.0000 122.4252 1.470710  123.6928 1.443804  -1.267601      2.060961  
1 1 1 -8  10 19 o 98.60957 0.6062145 4983.091   61.25531 4725.800  115.6000 5273.100   130.3000 96.00195 1.175112  101.4031 1.253992  -5.401176      1.718542  
1 1 1 -8  10 20 o 25.14898 0.3963744 324.0811   10.21467 309.8000  19.80000 339.3000   21.10000 24.57231 0.7873754 25.71614 0.8016948 -1.143835      1.123688  
1 1 1 -8  10 21 o 78.75932 0.4984582 3178.713   40.22806 3248.000  83.30000 3114.000   77.80000 79.58993 1.021383  77.93353 0.9742196 1.656395       1.411498  
1 1 1 -8  10 22 o 44.80614 0.3766452 1028.714   17.29292 1017.300  33.90000 1040.600   35.30000 44.54927 0.7426099 45.05593 0.7645825 -0.5066643     1.065859  
1 1 1 -8  10 23 o 52.55387 0.4025089 1415.292   21.67597 1582.600  47.60000 1275.400   39.80000 55.55898 0.8360925 49.87827 0.7787056 5.680706       1.142555  
1 1 1 -8  10 24 f 59.47971 0.4358650 1813.014   26.56557 1804.300  56.30000 1820.800   50.30000 59.31372 0.9263067 59.59048 0.8237448 -0.2767601     1.239597  
1 1 1 -8  10 25 o 32.06441 0.3431435 526.8457   11.27450 526.2000  22.40000 527.5000   22.70000 32.03729 0.6823291 32.07659 0.6906202 -0.3930283E-01 0.9708395 
1 1 1 -8  10 26 o 59.92838 0.4239809 1840.577   26.03618 1928.200  53.30000 1756.900   50.90000 61.31271 0.8483563 58.52586 0.8487339 2.786850       1.200024  
1 1 1 -8  10 27 o 57.92004 0.4056030 1719.289   24.07290 1736.700  48.60000 1702.200   47.70000 58.18763 0.8150932 57.60733 0.8080575 0.5802994      1.147752  
1 1 1 -8  11 1  o 254.1682 2.861234  0.000000   0.000000 ?         ?        33211.50   745.2000 ?        ?         254.1682 2.861234  0.000000       2.861234  
1 1 1 -8  11 2  o 152.9878 1.227298  0.000000   0.000000 ?         ?        11999.20   192.4000 ?        ?         152.9878 1.227298  0.000000       1.227298  
1 1 1 -8  11 3  o 92.12566 0.8834605 0.000000   0.000000 ?         ?        4349.800   83.40000 ?        ?         92.12566 0.8834605 0.000000       0.8834605 
1 1 1 -8  11 4  o 129.6523 1.211845  0.000000   0.000000 ?         ?        8617.700   161.0000 ?        ?         129.6523 1.211845  0.000000       1.211845  
1 1 1 -8  11 5  o 36.21949 0.5038496 0.000000   0.000000 ?         ?        672.2000   18.70000 ?        ?         36.21949 0.5038496 0.000000       0.5038496 
1 1 1 -8  11 6  o 138.0311 0.8326331 9764.433   117.7685 9041.200  308.2000 10211.70   190.6000 132.6990 2.266557  141.1266 1.318001  -8.427551      2.621909  
1 1 1 -8  11 7  f 46.75189 0.3960094 1119.941   18.97156 1127.300  58.40000 1116.400   28.10000 46.87653 1.216820  46.67609 0.5875076 0.2004433      1.351228  
1 1 1 -8  11 8  o 109.8397 2.246938  6194.700   252.9000 6194.700  252.9000 ?          ?        109.8397 2.246938  ?        ?         0.000000       2.246938  
1 1 1 -8  11 9  o 41.36894 0.4318345 876.9053   18.30586 839.2000  34.90000 918.5000   38.50000 40.46514 0.8416781 42.33313 0.8875279 -1.867985      1.223163  
1 1 1 -8  11 10 o 124.8550 0.7287930 7988.847   93.24131 8352.700  194.5000 7653.800   179.1000 127.6182 1.487334  122.1670 1.430682  5.451210       2.063738  
1 1 1 -8  11 11 o 139.0960 0.8097894 9915.880   115.4210 9996.700  232.2000 9836.000   229.5000 139.5968 1.623261  138.4709 1.617432  1.125961       2.291519  
1 1 1 -8  11 12 o 26.72265 0.3646827 365.8945   9.986034 413.7000  21.30000 323.7000   18.80000 28.40252 0.7324651 25.12154 0.7310978 3.280979       1.034896  
1 1 1 -8  11 13 o 36.66310 0.3518080 688.7391   13.21701 701.7000  27.10000 676.4000   25.80000 37.00272 0.7147222 36.32981 0.6930397 0.6729088      0.9955560 
1 1 1 -8  11 14 o 56.17578 0.4008232 1616.982   23.07280 1556.700  46.60000 1676.100   45.70000 55.11078 0.8251843 57.18641 0.7798750 -2.075626      1.135401  
1 1 1 -8  11 15 o 65.70943 0.4499441 2212.458   30.29596 2170.400  59.90000 2255.500   61.30000 65.07041 0.8983486 66.33371 0.9018365 -1.263298      1.272925  
1 1 1 -8  11 16 o 90.16730 0.5625160 4166.324   51.97355 4133.200  103.4000 4199.800   104.5000 89.78140 1.123921  90.50166 1.126838  -0.7202530     1.591528  
1 1 1 -8  11 17 o 65.35342 0.4420015 2188.588   29.59992 2196.100  59.30000 2181.100   59.10000 65.45217 0.8841627 65.22826 0.8842056 0.2239075      1.250425  
1 1 1 -8  11 18 o 29.66547 0.3508762 450.9326   10.66605 554.6000  23.40000 364.1000   19.60000 32.89472 0.6942106 26.64301 0.7185734 6.251711       0.9991377 
1 1 1 -8  11 19 o 70.12078 0.4724666 2519.671   33.94816 2549.500  67.40000 2489.400   68.40000 70.51534 0.9327773 69.67783 0.9579947 0.8375015      1.337097  
1 1 1 -8  11 20 o 27.00969 0.3589936 373.8185   9.935840 460.0000  21.20000 297.8000   18.70000 29.95684 0.6906237 24.09042 0.7584735 5.866423       1.025789  
1 1 1 -8  11 21 o 45.16458 0.3551951 1045.262   16.43854 1097.300  34.50000 997.9000   31.40000 46.26481 0.7277294 44.12076 0.6945257 2.144051       1.005960  
1 1 1 -8  11 22 o 81.20550 0.5208081 3379.791   43.33727 3463.300  90.10000 3302.400   83.50000 82.15669 1.070246  80.23138 1.015649  1.925308       1.475456  
1 1 1 -8  11 23 o 1.972902 0.9619547 -11.65686  6.313725 -15.40000 11.50000 -7.100000  14.00000 2.908071 1.387223  3.803014 1.711547  -0.8949432     2.203130  
1 1 1 -8  11 24 o 42.07954 0.3400512 907.3876   14.66269 902.5000  30.20000 912.0000   28.50000 41.95307 0.7024977 42.17532 0.6594595 -0.2222481     0.9635299 
1 1 1 -8  11 25 o 18.21772 0.4041566 170.0920   7.544702 185.9000  15.50000 155.1000   14.70000 19.02077 0.7970189 17.36852 0.8283422 1.652256       1.149517  
1 1 1 -8  12 1  o 93.30462 1.199670  0.000000   0.000000 ?         ?        4464.200   114.7000 ?        ?         93.30462 1.199670  0.000000       1.199670  
1 1 1 -8  12 2  f 34.32519 0.8216493 0.000000   0.000000 ?         ?        603.9000   28.90000 ?        ?         34.32519 0.8216493 0.000000       0.8216493 
1 1 1 -8  12 3  o 24.70233 0.8149402 0.000000   0.000000 ?         ?        313.1000   20.60000 ?        ?         24.70233 0.8149402 0.000000       0.8149402 
1 1 1 -8  12 4  o 48.85350 0.8309966 0.000000   0.000000 ?         ?        1223.300   41.60000 ?        ?         48.85350 0.8309966 0.000000       0.8309966 
1 1 1 -8  12 5  o 108.0088 1.977826  0.000000   0.000000 ?         ?        5990.600   218.9000 ?        ?         108.0088 1.977826  0.000000       1.977826  
1 1 1 -8  12 6  o 68.37744 0.8920081 0.000000   0.000000 ?         ?        2396.600   62.50000 ?        ?         68.37744 0.8920081 0.000000       0.8920081 
1 1 1 -8  12 7  o 64.87331 0.5182086 2156.599   34.44840 2084.400  80.00000 2211.200   60.50000 63.75491 1.224554  65.67891 0.8989407 -1.924004      1.519088  
1 1 1 -8  12 8  o 57.30962 0.5000181 1683.018   29.36376 1598.100  69.40000 1745.300   50.90000 55.82459 1.213209  58.35206 0.8512619 -2.527473      1.482067  
1 1 1 -8  12 9  o 124.9078 0.8625684 7997.356   110.4031 8332.500  279.7000 7778.800   182.4000 127.3470 2.143410  123.1381 1.445553  4.208977       2.585310  
1 1 1 -8  12 10 o 60.72096 0.4902663 1889.350   30.50486 1812.300  73.20000 1944.400   52.30000 59.44713 1.201661  61.59047 0.8286856 -2.143337      1.459694  
1 1 1 -8  12 11 o 46.50438 0.3929087 1108.157   18.72336 1075.000  37.80000 1140.700   37.10000 45.79574 0.8055052 47.17538 0.7674678 -1.379635      1.112585  
1 1 1 -8  12 12 o 23.95743 0.4321105 294.1080   10.60800 362.8000  22.10000 230.7000   20.40000 26.59164 0.8120037 21.19213 0.9417667 5.399509       1.243493  
1 1 1 -8  12 13 o 128.0756 0.7546611 8407.919   99.04141 8828.400  207.6000 8024.300   189.4000 131.1490 1.544771  125.0433 1.478159  6.105652       2.138053  
1 1 1 -8  12 14 o 36.07602 0.3380020 666.8770   12.49500 638.8000  24.50000 696.1000   25.50000 35.30351 0.6772513 36.85291 0.6752585 -1.549397      0.9563699 
1 1 1 -8  12 15 o 34.45992 0.3651256 608.4814   12.89302 557.3000  25.20000 662.1000   26.40000 32.97272 0.7458429 35.94017 0.7168452 -2.967449      1.034480  
1 1 1 -8  12 16 o 57.27134 0.3913219 1680.764   22.96518 1653.000  45.00000 1709.700   46.90000 56.78427 0.7733678 57.74911 0.7925546 -0.9648476     1.107358  
1 1 1 -8  12 17 o 62.52128 0.4257049 2003.123   27.27313 2027.500  57.60000 1981.200   51.80000 62.87997 0.8939469 62.16241 0.8132116 0.7175674      1.208493  
1 1 1 -8  12 18 o 24.77442 0.3993443 314.5276   10.13793 315.3000  19.60000 313.7000   21.00000 24.78628 0.7726398 24.72002 0.8302113 0.6625748E-01  1.134118  
1 1 1 -8  12 19 o 72.96420 0.4656722 2728.443   34.81677 2875.100  72.60000 2593.300   66.90000 74.86530 0.9463627 71.10429 0.9181886 3.761009       1.318587  
1 1 1 -8  12 20 o 24.40985 0.3585898 305.3393   8.969359 334.4000  18.40000 277.7000   17.50000 25.52831 0.7040644 23.26005 0.7351478 2.268255       1.017914  
1 1 1 -8  12 21 o 14.52507 0.5195879 108.2819   7.721035 92.40000  15.10000 124.9000   15.80000 13.36953 1.112270  15.56884 0.9955986 -2.199309      1.492770  
1 1 1 -8  12 22 o 20.60401 0.3893191 217.5667   8.219697 212.4000  15.50000 223.4000   17.50000 20.33679 0.7450504 20.85237 0.8206028 -0.5155811     1.108372  
1 1 1 -8  13 1  o 79.75559 1.082889  0.000000   0.000000 ?         ?        3262.500   88.50000 ?        ?         79.75559 1.082889  0.000000       1.082889  
1 1 1 -8  13 2  o 39.46653 0.8036299 0.000000   0.000000 ?         ?        798.5000   32.50000 ?        ?         39.46653 0.8036299 0.000000       0.8036299 
1 1 1 -8  13 3  o 99.22170 1.303199  0.000000   0.000000 ?         ?        5051.600   132.5000 ?        ?         99.22170 1.303199  0.000000       1.303199  
1 1 1 -8  13 4  o 42.37908 0.8059686 0.000000   0.000000 ?         ?        920.7000   35.00000 ?        ?         42.37908 0.8059686 0.000000       0.8059686 
1 1 1 -8  13 5  o 71.05808 0.9393864 0.000000   0.000000 ?         ?        2589.000   68.40000 ?        ?         71.05808 0.9393864 0.000000       0.9393864 
1 1 1 -8  13 6  o 23.49923 1.292365  0.000000   0.000000 ?         ?        284.2000   31.00000 ?        ?         23.49923 1.292365  0.000000       1.292365  
1 1 1 -8  13 7  o 33.19185 1.009647  0.000000   0.000000 ?         ?        565.5000   34.30000 ?        ?         33.19185 1.009647  0.000000       1.009647  
1 1 1 -8  13 8  o 88.80244 1.634134  0.000000   0.000000 ?         ?        4050.400   148.7000 ?        ?         88.80244 1.634134  0.000000       1.634134  
1 1 1 -8  13 9  o 37.11111 0.4856771 705.7893   18.46928 702.4000  36.30000 709.3000   37.60000 36.99737 0.9583037 37.17697 0.9878716 -0.1795959     1.376313  
1 1 1 -8  13 10 o 34.24039 0.5219333 600.8487   18.31269 676.1000  37.60000 529.4000   35.70000 36.29350 1.012010  32.10714 1.086662  4.186352       1.484924  
1 1 1 -8  13 11 o 2.852895 1.358617  -14.31895  10.93539 -13.50000 21.10000 -15.20000  22.70000 4.532883 2.064322  4.670436 2.132414  -0.1375537     2.967931  
1 1 1 -8  13 12 o 55.47240 0.5491114 1577.142   31.21302 1710.100  65.90000 1457.500   59.30000 57.73260 1.113951  53.30033 1.085741  4.432266       1.555545  
1 1 1 -8  13 13 f 48.40815 0.5170658 1201.015   25.64854 1127.700  49.10000 1281.200   53.70000 46.88488 1.021999  49.97234 1.048688  -3.087456      1.464318  
1 1 1 -8  13 14 o 94.15076 0.6632898 4544.342   63.99197 4466.600  106.6000 4661.100   160.1000 93.29195 1.115102  95.20963 1.641013  -1.917671      1.984031  
1 1 1 -8  13 15 o 46.85561 0.4389759 1125.154   21.07660 1142.300  37.10000 1102.600   48.80000 47.19783 0.7671025 46.35485 1.027369  0.8429832      1.282159  
1 1 1 -8  13 16 o 4.672102 1.550327  10.62779   8.659401 -2.800000 14.00000 32.40000   22.70000 4.082794 1.779907  7.957826 2.499216  -3.875032      3.068249  
1 1 1 -8  13 17 o 52.89320 0.4479426 1433.892   24.27842 1392.900  40.20000 1496.400   61.30000 52.11541 0.7527685 53.98658 1.108093  -1.871166      1.339601  
1 1 1 -8  13 18 o 34.87550 0.3810465 623.3397   13.61748 582.7000  21.10000 697.3000   38.40000 33.71241 0.6107934 36.84246 1.018124  -3.130047      1.187285  
1 1 1 -8  13 19 o 56.10199 0.4579070 1613.255   26.32413 1550.100  42.60000 1715.400   68.90000 54.97343 0.7562378 57.78619 1.163581  -2.812759      1.387738  
1 1 1 -8  14 1  o 37.57512 0.7427921 0.000000   0.000000 ?         ?        724.0000   28.60000 ?        ?         37.57512 0.7427921 0.000000       0.7427921 
1 1 1 -8  14 2  o 31.57953 0.7602056 0.000000   0.000000 ?         ?        511.4000   24.60000 ?        ?         31.57953 0.7602056 0.000000       0.7602056 
1 1 1 -8  14 3  o 88.54288 1.153970  0.000000   0.000000 ?         ?        4024.800   104.7000 ?        ?         88.54288 1.153970  0.000000       1.153970  
1 1 1 -8  14 4  o 46.95343 0.7898014 0.000000   0.000000 ?         ?        1130.600   38.00000 ?        ?         46.95343 0.7898014 0.000000       0.7898014 
1 1 1 -8  14 5  o 4.039906 1.944051  0.000000   0.000000 ?         ?        -35.80000  23.70000 ?        ?         4.039906 1.944051  0.000000       1.944051  
1 1 1 -8  14 6  o 40.18396 0.7868534 0.000000   0.000000 ?         ?        828.1000   32.40000 ?        ?         40.18396 0.7868534 0.000000       0.7868534 
1 1 1 -8  14 7  o 12.66238 1.346217  0.000000   0.000000 ?         ?        83.30000   17.20000 ?        ?         12.66238 1.346217  0.000000       1.346217  
1 1 1 -8  14 8  o 3.962803 1.889684  0.000000   0.000000 ?         ?        -28.20000  21.30000 ?        ?         3.962803 1.889684  0.000000       1.889684  
1 1 1 -8  14 9  o 20.77800 1.174271  0.000000   0.000000 ?         ?        222.4000   24.90000 ?        ?         20.77800 1.174271  0.000000       1.174271  
1 1 1 -8  14 10 o 29.50583 1.066756  0.000000   0.000000 ?         ?        447.5000   32.20000 ?        ?         29.50583 1.066756  0.000000       1.066756  
1 1 1 -8  14 11 o 8.850000 1.187347  40.94476   10.49619 27.80000  20.60000 54.60000   21.40000 7.424135 2.386658  10.09488 2.135546  -2.670747      3.202607  
1 1 1 -8  14 12 o 15.59530 0.6946316 124.9694   11.07275 84.10000  21.10000 170.1000   23.30000 12.67238 1.665147  18.15067 1.260584  -5.478290      2.088489  
1 1 1 -8  14 13 o 47.06157 0.5320687 1135.379   25.65858 990.1000  46.40000 1315.100   57.40000 43.91426 1.031131  50.60308 1.106972  -6.688812      1.512818  
1 1 1 -8  14 14 o 47.76748 0.5223861 1169.699   25.56950 1190.500  51.90000 1149.500   50.40000 48.14948 1.051907  47.31434 1.039536  0.8351402      1.478899  
1 1 1 -8  14 15 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -8  15 4  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -7  0  1  o 197.2399 2.269711  19944.30   458.6000 19944.30  458.6000 19944.30   458.6000 197.2399 2.269711  197.2399 2.269711  0.000000       0.000000  
1 1 1 -7  0  2  o 152.0848 1.831941  11857.40   285.4000 11857.40  285.4000 11857.40   285.4000 152.0848 1.831941  152.0848 1.831941  0.000000       0.000000  
1 1 1 -7  0  3  o 83.48818 1.106215  3573.300   94.60000 3573.300  94.60000 3573.300   94.60000 83.48818 1.106215  83.48818 1.106215  0.000000       0.000000  
1 1 1 -7  0  4  o 216.0897 2.485974  23939.90   550.3000 23939.90  550.3000 23939.90   550.3000 216.0897 2.485974  216.0897 2.485974  -0.000000      0.000000  
1 1 1 -7  0  5  o 255.3736 2.892893  33437.80   756.8000 33437.80  756.8000 33437.80   756.8000 255.3736 2.892893  255.3736 2.892893  0.000000       0.000000  
1 1 1 -7  0  6  o 282.4072 3.193567  40894.20   923.9000 40894.20  923.9000 40894.20   923.9000 282.4072 3.193567  282.4072 3.193567  0.000000       0.000000  
1 1 1 -7  0  7  o 119.4481 1.548803  7314.500   189.5000 7314.500  189.5000 7314.500   189.5000 119.4481 1.548803  119.4481 1.548803  -0.000000      0.000000  
1 1 1 -7  0  8  o 156.5973 2.598426  12577.60   416.7000 12577.60  416.7000 12577.60   416.7000 156.5973 2.598426  156.5973 2.598426  0.000000       0.000000  
1 1 1 -7  0  9  o 265.8376 4.350935  36259.60   1184.500 36259.60  1184.500 36259.60   1184.500 265.8376 4.350935  265.8376 4.350935  0.000000       0.000000  
1 1 1 -7  0  10 o 305.7519 4.905735  47971.10   1536.100 47971.10  1536.100 47971.10   1536.100 305.7519 4.905735  305.7519 4.905735  0.000000       0.000000  
1 1 1 -7  0  11 o 94.87048 1.708821  4616.300   166.0000 4616.300  166.0000 4616.300   166.0000 94.87048 1.708821  94.87048 1.708821  0.000000       0.000000  
1 1 1 -7  0  12 o 191.1599 3.265332  18745.50   639.2000 18745.50  639.2000 18745.50   639.2000 191.1599 3.265332  191.1599 3.265332  0.000000       0.000000  
1 1 1 -7  0  13 o 389.4054 6.134371  77851.80   2446.400 77851.80  2446.400 77851.80   2446.400 389.4054 6.134371  389.4054 6.134371  0.000000       0.000000  
1 1 1 -7  0  14 o 49.07107 1.224794  1236.100   61.50000 1236.100  61.50000 1236.100   61.50000 49.07107 1.224794  49.07107 1.224794  -0.000000      0.000000  
1 1 1 -7  0  15 o 225.4135 3.745912  26069.00   864.7000 26069.00  864.7000 26069.00   864.7000 225.4135 3.745912  225.4135 3.745912  0.000000       0.000000  
1 1 1 -7  0  16 o 2.519392 1.842197  -73.40000  29.50000 -73.40000 29.50000 -73.40000  29.50000 2.519392 1.842197  2.519392 1.842197  0.000000       0.000000  
1 1 1 -7  0  17 o 455.4265 7.115896  106600.0   3319.000 106600.0  3319.000 106600.0   3319.000 455.4265 7.115896  455.4265 7.115896  0.000000       0.000000  
1 1 1 -7  0  18 o 107.2551 1.919411  5900.800   210.8000 5900.800  210.8000 5900.800   210.8000 107.2551 1.919411  107.2551 1.919411  -0.000000      0.000000  
1 1 1 -7  0  19 o 196.2187 3.309493  19757.80   665.0000 19757.80  665.0000 19757.80   665.0000 196.2187 3.309493  196.2187 3.309493  0.000000       0.000000  
1 1 1 -7  0  20 o 96.08305 1.910157  4737.000   187.9000 4737.000  187.9000 4737.000   187.9000 96.08305 1.910157  96.08305 1.910157  0.000000       0.000000  
1 1 1 -7  0  21 f 136.8477 1.711384  9602.200   239.9000 9602.200  239.9000 9602.200   239.9000 136.8477 1.711384  136.8477 1.711384  0.000000       0.000000  
1 1 1 -7  0  22 o 273.0411 3.136182  38254.60   877.2000 38254.60  877.2000 38254.60   877.2000 273.0411 3.136182  273.0411 3.136182  0.000000       0.000000  
1 1 1 -7  0  23 o 12.69554 1.544436  86.20000   19.30000 86.20000  19.30000 86.20000   19.30000 12.69554 1.544436  12.69554 1.544436  0.000000       0.000000  
1 1 1 -7  0  24 o 13.15920 1.347769  91.50000   17.70000 91.50000  17.70000 91.50000   17.70000 13.15920 1.347769  13.15920 1.347769  0.000000       0.000000  
1 1 1 -7  0  25 o 115.8082 1.525003  6877.200   180.9000 6877.200  180.9000 6877.200   180.9000 115.8082 1.525003  115.8082 1.525003  -0.000000      0.000000  
1 1 1 -7  0  26 o 114.4355 1.519418  6715.300   178.1000 6715.300  178.1000 6715.300   178.1000 114.4355 1.519418  114.4355 1.519418  0.000000       0.000000  
1 1 1 -7  0  27 o 78.89053 1.101432  3191.200   89.00000 3191.200  89.00000 3191.200   89.00000 78.89053 1.101432  78.89053 1.101432  -0.000000      0.000000  
1 1 1 -7  0  28 o 33.69129 0.9343201 583.0000   32.20000 583.0000  32.20000 583.0000   32.20000 33.69129 0.9343201 33.69129 0.9343201 0.000000       0.000000  
1 1 1 -7  0  29 o 37.69389 0.8215914 729.1000   31.70000 729.1000  31.70000 729.1000   31.70000 37.69389 0.8215914 37.69389 0.8215914 0.000000       0.000000  
1 1 1 -7  0  30 o 4.250658 2.352631  12.70000   15.00000 12.70000  15.00000 12.70000   15.00000 4.250658 2.352631  4.250658 2.352631  0.000000       0.000000  
1 1 1 -7  0  31 o 152.7570 1.894214  11973.20   296.4000 11973.20  296.4000 11973.20   296.4000 152.7570 1.894214  152.7570 1.894214  0.000000       0.000000  
1 1 1 -7  0  32 o 53.77869 1.580014  1486.900   86.90000 1486.900  86.90000 1486.900   86.90000 53.77869 1.580014  53.77869 1.580014  0.000000       0.000000  
1 1 1 -7  0  33 o 73.46967 1.514376  2771.900   113.9000 2771.900  113.9000 2771.900   113.9000 73.46967 1.514376  73.46967 1.514376  0.000000       0.000000  
1 1 1 -7  0  34 o 17.89017 1.388959  167.1000   25.10000 167.1000  25.10000 167.1000   25.10000 17.89017 1.388959  17.89017 1.388959  0.000000       0.000000  
1 1 1 -7  0  35 o 24.62948 1.098582  312.9000   27.60000 312.9000  27.60000 312.9000   27.60000 24.62948 1.098582  24.62948 1.098582  0.000000       0.000000  
1 1 1 -7  1  1  f 294.3929 1.647158  44413.27   496.8907 44210.50  989.5000 44617.80   998.1000 293.6295 3.288650  294.9780 3.302068  -1.348480      4.660351  
1 1 1 -7  1  2  o 277.6055 1.584445  39492.15   450.7168 40150.10  905.3000 38839.80   897.6000 279.8260 3.157229  275.2202 3.182761  4.605713       4.483087  
1 1 1 -7  1  3  o 110.7237 0.7099909 6281.552   80.55483 6336.000  163.7000 6228.800   158.6000 111.1955 1.436690  110.2512 1.403852  0.9442749      2.008701  
1 1 1 -7  1  4  o 174.0336 1.212711  15519.80   216.2664 16043.70  385.4000 14849.90   492.8000 176.9249 2.125810  170.1914 2.825756  6.733444       3.536094  
1 1 1 -7  1  5  o 164.8875 1.159899  13931.25   195.9775 14129.70  345.7000 13671.50   452.5000 166.0395 2.031841  163.3046 2.704095  2.734924       3.382381  
1 1 1 -7  1  6  o 263.4762 1.738263  35575.50   469.3050 36286.60  817.8000 34617.90   1101.300 266.0359 2.999913  259.7665 4.137368  6.269318       5.110507  
1 1 1 -7  1  7  o 151.5466 1.053116  11767.81   163.5389 11749.60  280.4000 11793.30   392.4000 151.4175 1.807188  151.6819 2.524626  -0.2643127     3.104781  
1 1 1 -7  1  8  o 96.31734 0.7236691 4753.274   71.42378 4497.600  116.3000 5160.200   185.1000 93.68809 1.211426  100.3462 1.800144  -6.658104      2.169809  
1 1 1 -7  1  9  o 238.1537 1.608750  29064.07   392.5946 28546.10  665.1000 29810.30   958.2000 235.9836 2.750469  241.0935 3.878577  -5.109879      4.754833  
1 1 1 -7  1  10 o 358.3463 2.354134  65815.80   864.4353 63824.90  1439.700 68807.50   2163.400 352.7670 3.982774  366.0720 5.767292  -13.30499      7.008862  
1 1 1 -7  1  11 o 74.62524 0.5833529 2853.314   44.60828 2934.000  76.40000 2740.100   107.2000 75.67145 0.9852875 73.12567 1.430627  2.545776       1.737091  
1 1 1 -7  1  12 o 330.1599 2.644198  55875.80   894.5748 56197.70  1788.300 55553.60   1790.000 330.8750 5.274461  328.9692 5.310060  1.905792       7.484429  
1 1 1 -7  1  13 o 66.00855 0.7240967 2232.467   48.97734 2357.300  111.9000 2135.300   87.10000 67.82398 1.610084  64.55331 1.316744  3.270668       2.079948  
1 1 1 -7  1  14 o 78.41541 0.7639842 3150.576   61.38810 2951.800  112.1000 3391.200   135.7000 75.89719 1.441390  81.34853 1.627915  -5.451340      2.174330  
1 1 1 -7  1  15 o 305.3949 2.454536  47807.73   768.1208 47461.20  1508.800 48167.10   1564.700 304.0775 4.842270  306.3135 4.985015  -2.236053      6.949673  
1 1 1 -7  1  16 o 217.9347 1.794708  24341.20   400.7916 24921.70  828.0000 23796.60   776.8000 220.4209 3.665888  215.3977 3.519409  5.023163       5.081828  
1 1 1 -7  1  17 o 154.4652 1.070132  12225.82   169.3816 12337.50  413.1000 12148.20   287.1000 155.1269 2.598781  153.9579 1.819838  1.168991       3.172613  
1 1 1 -7  1  18 o 104.1382 0.7905319 5556.736   84.35829 6167.300  226.0000 5193.100   134.6000 109.6887 2.010705  100.6668 1.304849  9.021835       2.396991  
1 1 1 -7  1  19 o 172.2722 1.208809  15208.51   213.3887 14988.80  507.9000 15367.70   368.0000 170.9413 2.899564  173.1375 2.074236  -2.196182      3.565099  
1 1 1 -7  1  20 o 200.6072 1.424966  20625.64   292.9204 20151.80  683.5000 20981.00   512.6000 198.1372 3.366465  202.2597 2.473266  -4.122467      4.177336  
1 1 1 -7  1  21 o 74.82060 0.6509915 2868.451   49.91084 2967.300  127.3000 2804.700   82.10000 76.08188 1.632860  73.97897 1.083020  2.102913       1.959378  
1 1 1 -7  1  22 o 192.2819 1.342843  18950.79   264.5830 18455.70  615.1000 19324.50   464.3000 189.5727 3.166443  194.0864 2.334561  -4.513733      3.934022  
1 1 1 -7  1  23 o 127.0084 0.9344063 8266.605   121.6092 8188.900  285.4000 8324.300   211.9000 126.3475 2.204393  127.4229 1.622874  -1.075455      2.737347  
1 1 1 -7  1  24 f 186.4814 1.295765  17825.10   247.6053 18865.70  624.9000 17142.20   410.1000 191.6335 3.182297  182.7990 2.189362  8.834457       3.862683  
1 1 1 -7  1  25 o 93.37259 0.6315188 4467.404   60.42325 4431.300  120.2000 4503.900   121.5000 92.97913 1.261597  93.73759 1.264923  -0.7584534     1.786521  
1 1 1 -7  1  26 o 131.1075 0.8367043 8808.723   112.4082 9144.400  232.3000 8494.000   217.8000 133.5395 1.697622  128.7058 1.651434  4.833694       2.368366  
1 1 1 -7  1  27 o 211.5324 1.254895  22937.05   272.0086 22402.80  529.1000 23502.30   559.8000 208.9052 2.471668  213.9564 2.553343  -5.051193      3.553688  
1 1 1 -7  1  28 o 118.9221 0.9193925 7248.055   112.0371 7341.000  270.4000 7182.300   191.3000 119.5981 2.206398  118.3474 1.577458  1.250687       2.712299  
1 1 1 -7  1  29 o 71.83749 0.6262546 2644.478   46.09995 2573.200  115.1000 2692.100   76.90000 70.83221 1.585792  72.47143 1.035526  -1.639221      1.893951  
1 1 1 -7  1  30 o 96.57155 0.8087616 4779.697   80.03281 4352.200  182.9000 5112.300   142.3000 92.08451 1.938334  99.84500 1.390850  -7.760490      2.385708  
1 1 1 -7  1  31 o 107.5380 0.8157862 5927.317   89.89526 6124.100  221.5000 5792.900   151.3000 109.2067 1.979365  106.2731 1.389367  2.933601       2.418311  
1 1 1 -7  1  32 o 30.08896 0.4999308 463.9370   15.41400 594.8000  41.00000 385.1000   24.70000 34.03542 1.177359  27.39429 0.8810563 6.641127       1.470522  
1 1 1 -7  1  33 o 103.2789 0.8090698 5468.265   85.62412 5795.100  216.6000 5254.600   141.6000 106.1616 1.991098  101.1856 1.365671  4.975960       2.414442  
1 1 1 -7  1  34 o 75.40201 0.7930462 2915.039   61.27450 3112.200  122.9000 2719.000   122.2000 77.83316 1.540951  72.73751 1.639511  5.095650       2.250006  
1 1 1 -7  1  35 o 57.49461 0.6344457 1694.577   37.37834 1669.300  73.00000 1721.100   76.60000 57.01917 1.249406  57.89291 1.291234  -0.8737335     1.796747  
1 1 1 -7  2  1  o 548.0917 3.492818  154042.5   1961.677 156360.0  3412.000 150908.0   4615.000 551.7379 6.035007  541.4224 8.318349  10.31549       10.27698  
1 1 1 -7  2  2  o 129.4260 0.8967963 8582.937   118.9361 8702.000  206.6000 8421.400   280.3000 130.3133 1.547189  128.1853 2.133961  2.127991       2.635827  
1 1 1 -7  2  3  o 256.4518 1.678547  33702.94   441.1006 33465.90  746.5000 34045.30   1078.200 255.4996 2.851288  257.6229 4.084290  -2.123215      4.981091  
1 1 1 -7  2  4  o 124.0090 0.8641177 7879.496   109.8056 8082.200  194.6000 7617.000   252.0000 125.5871 1.512166  121.9114 2.017241  3.675674       2.521093  
1 1 1 -7  2  5  o 169.9528 1.167144  14800.17   203.2597 14112.00  334.4000 15866.80   518.3000 165.9399 1.966605  175.9275 2.875074  -9.987640      3.483330  
1 1 1 -7  2  6  o 295.5099 1.939916  44753.33   587.4263 45276.40  1023.300 44048.40   1379.100 297.1544 3.360643  292.9977 4.593388  4.156708       5.691496  
1 1 1 -7  2  7  o 373.2416 2.436333  71403.86   931.8052 69871.10  1555.200 73694.90   2324.600 369.0779 4.112158  378.8017 5.988774  -9.723755      7.264658  
1 1 1 -7  2  8  o 204.2220 1.392912  21371.18   291.4907 20813.60  488.9000 22194.50   721.9000 201.5161 2.367619  208.0538 3.386125  -6.537704      4.131763  
1 1 1 -7  2  9  o 364.5339 2.373688  68108.81   886.6658 69881.20  1548.300 65733.60   2074.900 369.1130 4.093525  357.8141 5.659022  11.29889       6.984374  
1 1 1 -7  2  10 o 216.2302 1.490727  23958.78   330.3033 23570.20  559.7000 24518.30   805.9000 214.4394 2.547137  218.6633 3.596722  -4.223877      4.407303  
1 1 1 -7  2  11 o 357.6358 2.349028  65556.10   860.8500 65409.70  1464.100 65765.00   2089.300 357.1089 4.001029  357.8777 5.697283  -0.7687378     6.961844  
1 1 1 -7  2  12 o 345.4341 2.267245  61158.51   802.5315 61538.70  1369.000 60619.90   1939.500 346.3869 3.856947  343.6035 5.508507  2.783417       6.724558  
1 1 1 -7  2  13 o 176.0467 1.058461  15880.35   190.9419 16431.80  395.7000 15366.10   369.0000 179.0542 2.156668  173.1525 2.079693  5.901627       2.996054  
1 1 1 -7  2  14 o 116.3031 0.7251279 6930.569   86.41805 6922.700  174.4000 6938.300   171.3000 116.2298 1.464302  116.3610 1.436651  -0.1312408     2.051377  
1 1 1 -7  2  15 o 186.2735 1.110825  17779.33   212.0289 17898.00  430.4000 17664.10   417.9000 186.8645 2.247746  185.6412 2.196846  1.223282       3.143007  
1 1 1 -7  2  16 o 164.7249 1.156924  13904.00   195.2821 13966.60  480.9000 13861.20   328.8000 165.0447 2.843511  164.4527 1.951158  0.5919495      3.448561  
1 1 1 -7  2  17 o 159.9557 1.121612  13110.69   183.8403 12390.00  411.8000 13691.90   332.1000 155.4525 2.585177  163.4395 1.982957  -7.987076      3.258107  
1 1 1 -7  2  18 o 87.95543 0.6972565 3963.879   62.84253 4333.000  169.7000 3746.800   99.80000 91.94351 1.801202  85.50874 1.138995  6.434776       2.131112  
1 1 1 -7  2  19 o 140.7526 1.047375  10152.02   151.0627 9476.100  353.3000 10656.90   263.9000 135.9321 2.536433  144.1875 1.786131  -8.255478      3.102218  
1 1 1 -7  2  20 o 256.3800 1.727090  33695.28   453.7302 34630.30  1127.900 33066.00   759.1000 259.5640 4.240604  253.8488 2.918271  5.715256       5.147721  
1 1 1 -7  2  21 o 80.33984 0.6541057 3307.273   53.84896 2914.300  111.9000 3671.800   103.8000 75.40248 1.448259  84.64258 1.196768  -9.240097      1.878752  
1 1 1 -7  2  22 f 156.2480 1.098019  12511.92   175.8015 13059.00  437.5000 12144.40   293.9000 159.5126 2.676608  153.8940 1.863716  5.618622       3.261543  
1 1 1 -7  2  23 o 65.15942 0.5706025 2175.499   38.09862 1967.900  79.10000 2368.400   73.50000 61.96286 1.245795  67.98009 1.055133  -6.017235      1.632578  
1 1 1 -7  2  24 f 125.3432 1.552480  0.000000   0.000000 ?         ?        8054.800   199.4000 ?        ?         125.3432 1.552480  0.000000       1.552480  
1 1 1 -7  2  25 o 30.88453 0.7747644 0.000000   0.000000 ?         ?        489.1000   24.50000 ?        ?         30.88453 0.7747644 0.000000       0.7747644 
1 1 1 -7  2  26 o 46.13726 0.7487781 0.000000   0.000000 ?         ?        1090.800   35.40000 ?        ?         46.13726 0.7487781 0.000000       0.7487781 
1 1 1 -7  2  27 o 71.94391 1.026842  0.000000   0.000000 ?         ?        2652.800   75.70000 ?        ?         71.94391 1.026842  0.000000       1.026842  
1 1 1 -7  2  28 o 67.93713 0.6355798 2365.083   44.24616 2340.400  104.2000 2383.300   76.90000 67.55886 1.505175  68.18827 1.100572  -0.6294098     1.864620  
1 1 1 -7  2  29 o 97.32203 0.7913309 4854.087   78.91647 4693.000  188.4000 4970.200   135.8000 95.63042 1.922589  98.45405 1.346071  -2.823624      2.346967  
1 1 1 -7  2  30 o 96.86813 0.7836280 4809.083   77.78382 4908.500  194.1000 4742.600   129.8000 97.78841 1.937045  96.16957 1.317160  1.618843       2.342447  
1 1 1 -7  2  31 o 32.76989 0.4851082 550.2754   16.28966 665.9000  45.10000 484.9000   25.50000 36.01425 1.223870  30.74720 0.8100554 5.267056       1.467667  
1 1 1 -7  2  32 o 58.07162 0.4928121 1728.124   29.32538 1800.100  60.40000 1660.200   57.00000 59.25212 0.9947974 56.90380 0.9775414 2.348320       1.394708  
1 1 1 -7  2  33 o 27.35001 0.4309415 383.3193   12.07742 307.5000  20.80000 488.3000   28.80000 24.47626 0.8305187 30.84581 0.9121689 -6.369549      1.233618  
1 1 1 -7  2  34 o 20.11641 0.5560509 207.5685   11.45109 194.2000  24.50000 219.3000   21.50000 19.41184 1.238143  20.65093 1.019164  -1.239088      1.603650  
1 1 1 -7  2  35 o 35.40553 0.6151761 642.6024   22.31870 616.4000  43.90000 669.7000   45.40000 34.62594 1.239269  36.09474 1.229271  -1.468803      1.745536  
1 1 1 -7  3  1  o 242.8571 1.573950  30223.20   391.6878 30968.00  687.8000 29238.00   909.8000 245.7911 2.730849  238.7771 3.718389  7.013962       4.613454  
1 1 1 -7  3  2  o 430.2310 2.746063  94882.77   1210.628 94926.40  2070.900 94821.40   2914.300 430.1244 4.698580  429.5794 6.620525  0.5449524      8.118375  
1 1 1 -7  3  3  o 76.69566 0.5579810 3013.831   43.85192 3004.100  75.30000 3027.400   105.0000 76.57021 0.9597029 76.86441 1.333109  -0.2942047     1.642623  
1 1 1 -7  3  4  o 297.2684 1.923894  45286.82   586.0414 45038.00  995.9000 45642.60   1424.000 296.3818 3.279185  298.2570 4.659304  -1.875153      5.697558  
1 1 1 -7  3  5  o 238.7641 1.570723  29213.05   384.2970 29417.40  669.4000 28937.60   902.3000 239.5585 2.726941  237.5476 3.706824  2.010925       4.601820  
1 1 1 -7  3  6  o 446.0512 2.863440  101993.3   1308.794 100104.0  2199.000 104771.0   3233.000 441.6772 4.858720  451.4823 6.988220  -9.805115      8.511309  
1 1 1 -7  3  7  o 268.9954 1.768198  37080.63   487.3871 36917.50  831.9000 37311.40   1176.900 268.3500 3.025319  269.6984 4.258561  -1.348389      5.223782  
1 1 1 -7  3  8  o 109.5903 0.7895011 6153.624   88.65911 6192.500  152.7000 6099.800   211.4000 109.9315 1.355559  109.0993 1.890970  0.8322372      2.326652  
1 1 1 -7  3  9  o 275.2706 1.576722  38829.44   444.7472 38691.50  870.9000 38973.40   908.9000 274.7152 3.093764  275.7069 3.217142  -0.9916687     4.463337  
1 1 1 -7  3  10 f 88.48081 0.5852916 4011.225   53.06641 4116.700  107.5000 3908.400   104.8000 89.63333 1.170417  87.33623 1.171031  2.297104       1.655654  
1 1 1 -7  3  11 o 83.89010 0.5566362 3605.783   47.84984 3617.500  98.90000 3594.800   92.70000 84.02323 1.148679  83.75966 1.080056  0.2635727      1.576701  
1 1 1 -7  3  12 o 150.8298 0.9191328 11656.55   142.0573 11042.30  271.3000 12331.70   298.2000 146.7887 1.803677  155.1208 1.876027  -8.332108      2.602447  
1 1 1 -7  3  13 o 254.8309 1.450603  33277.01   378.7905 32939.40  748.2000 33623.20   767.2000 253.4732 2.880629  256.0881 2.923619  -2.614960      4.104335  
1 1 1 -7  3  14 o 194.5838 1.152342  19401.28   229.7665 20302.20  477.0000 18564.00   443.3000 199.0158 2.339012  190.3081 2.273223  8.707672       3.261675  
1 1 1 -7  3  15 o 261.3537 1.497784  35003.74   401.1218 35897.60  813.6000 34134.50   791.2000 264.5881 3.000836  258.0093 2.992627  6.578796       4.238022  
1 1 1 -7  3  16 o 160.9353 0.9687043 13271.29   159.7500 13095.20  319.4000 13447.50   319.6000 159.8401 1.950073  161.9767 1.925555  -2.136627      2.740537  
1 1 1 -7  3  17 o 151.1523 0.9135382 11706.92   141.4946 11456.00  278.9000 11965.30   287.2000 149.5008 1.820566  152.7874 1.834419  -3.286575      2.584483  
1 1 1 -7  3  18 o 166.8581 1.006403  14266.80   172.0749 13926.20  343.9000 14607.90   344.4000 164.8170 2.036253  168.8050 1.991038  -3.987991      2.847904  
1 1 1 -7  3  19 o 126.0028 0.7970355 8135.344   102.9097 7848.400  199.9000 8439.800   212.1000 123.7411 1.576523  128.3173 1.613084  -4.576180      2.255541  
1 1 1 -7  3  20 o 82.19384 0.7292922 3461.736   61.42416 3228.200  141.4000 3641.100   108.6000 79.35282 1.738956  84.28732 1.257388  -4.934502      2.145925  
1 1 1 -7  3  21 o 65.83882 0.9604939 0.000000   0.000000 ?         ?        2221.400   64.80000 ?        ?         65.83882 0.9604939 0.000000       0.9604939 
1 1 1 -7  3  22 o 91.15444 1.260086  0.000000   0.000000 ?         ?        4258.900   117.7000 ?        ?         91.15444 1.260086  0.000000       1.260086  
1 1 1 -7  3  23 o 150.7687 1.851214  0.000000   0.000000 ?         ?        11657.00   286.0000 ?        ?         150.7687 1.851214  0.000000       1.851214  
1 1 1 -7  3  24 o 150.9798 1.824710  0.000000   0.000000 ?         ?        11689.90   282.3000 ?        ?         150.9798 1.824710  0.000000       1.824710  
1 1 1 -7  3  25 o 3.121308 1.529915  0.000000   0.000000 ?         ?        -33.20000  16.60000 ?        ?         3.121308 1.529915  0.000000       1.529915  
1 1 1 -7  3  26 o 110.2397 1.427015  0.000000   0.000000 ?         ?        6230.500   161.2000 ?        ?         110.2397 1.427015  0.000000       1.427015  
1 1 1 -7  3  27 o 160.0115 1.965061  0.000000   0.000000 ?         ?        13135.30   322.2000 ?        ?         160.0115 1.965061  0.000000       1.965061  
1 1 1 -7  3  28 o 70.76134 1.028832  0.000000   0.000000 ?         ?        2566.500   74.60000 ?        ?         70.76134 1.028832  0.000000       1.028832  
1 1 1 -7  3  29 o 170.7328 1.232926  14945.30   215.7010 15149.10  536.8000 14808.40   360.6000 171.5866 3.053028  169.8412 2.071974  1.745438       3.689723  
1 1 1 -7  3  30 o 129.6051 0.9247644 8610.241   122.8151 8993.400  313.3000 8363.200   202.0000 132.2956 2.311088  127.6790 1.543951  4.616577       2.779373  
1 1 1 -7  3  31 o 56.13821 0.5222572 1614.966   30.04287 1555.100  66.50000 1664.300   54.80000 55.06764 1.178492  56.97781 0.9385912 -1.910164      1.506585  
1 1 1 -7  3  32 o 113.6531 0.7169703 6620.874   83.49892 6474.900  166.4000 6767.900   167.6000 112.3203 1.445762  114.8364 1.424282  -2.516136      2.029484  
1 1 1 -7  3  33 o 36.26891 0.4462050 674.1064   16.58316 608.5000  27.80000 771.1000   41.10000 34.45121 0.7874843 38.75893 1.035765  -4.307720      1.301130  
1 1 1 -7  3  34 o 69.33661 0.7318599 2464.867   51.99827 2287.600  104.6000 2640.100   103.4000 66.71930 1.529966  71.69221 1.407506  -4.972916      2.078911  
1 1 1 -7  3  35 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -7  4  1  o 305.7664 2.388719  47920.46   748.4336 51331.40  1632.700 45033.50   1381.900 316.2442 5.038316  296.2576 4.552068  19.98657       6.790136  
1 1 1 -7  4  2  f 370.0864 2.373880  70201.09   900.2440 72155.30  1584.300 67629.30   2085.000 375.0549 4.122344  362.9207 5.606554  12.13425       6.958963  
1 1 1 -7  4  3  o 279.8394 1.804467  40131.30   517.4354 40070.20  886.8000 40216.90   1242.300 279.5655 3.095593  279.9886 4.329998  -0.4231567     5.322742  
1 1 1 -7  4  4  o 87.42971 0.6153572 3916.497   55.12959 3690.400  89.60000 4278.100   143.3000 84.86658 1.030322  91.37056 1.530529  -6.503983      1.845015  
1 1 1 -7  4  5  o 105.1867 0.7387258 5668.999   79.62371 5557.600  135.2000 5828.600   193.7000 104.1443 1.266902  106.6475 1.772477  -2.503242      2.178695  
1 1 1 -7  4  6  o 159.6785 0.9360355 13064.36   153.1571 12960.10  300.0000 13173.10   312.9000 159.0261 1.841003  160.3263 1.904594  -1.300140      2.648919  
1 1 1 -7  4  7  o 128.9378 0.7711974 8518.186   101.8929 7904.500  190.7000 9222.300   218.8000 124.1991 1.498422  134.1517 1.591669  -9.952667      2.186018  
1 1 1 -7  4  8  o 153.2441 0.9015070 12032.66   141.5635 12196.00  290.3000 11877.20   276.3000 154.2664 1.836442  152.2381 1.771165  2.028305       2.551381  
1 1 1 -7  4  9  o 143.8164 0.8782511 10597.66   129.4272 10073.20  242.1000 11200.10   278.1000 140.2020 1.685165  147.8335 1.835819  -7.631500      2.491989  
1 1 1 -7  4  10 o 44.38961 0.7452809 0.000000   0.000000 ?         ?        1009.600   33.90000 ?        ?         44.38961 0.7452809 0.000000       0.7452809 
1 1 1 -7  4  11 o 174.5424 1.031091  15610.14   184.4151 16151.50  381.7000 15104.10   356.8000 177.5198 2.098346  171.6693 2.028308  5.850464       2.918405  
1 1 1 -7  4  12 o 151.7031 0.9085650 11791.99   141.2371 11841.10  285.2000 11743.80   279.8000 152.0027 1.831048  151.3776 1.803798  0.6251831      2.570296  
1 1 1 -7  4  13 o 43.02148 0.4263636 948.3009   18.79593 838.4000  33.70000 1086.900   42.50000 40.45095 0.8130230 46.05693 0.9005246 -5.605984      1.213240  
1 1 1 -7  4  14 o 97.78984 0.6359202 4899.737   63.72277 4970.300  131.2000 4833.100   123.9000 98.48539 1.300061  97.11724 1.245021  1.368149       1.800065  
1 1 1 -7  4  15 o 203.2419 1.185775  21167.16   246.9528 21511.30  503.9000 20836.40   484.3000 204.8382 2.400684  201.6022 2.344341  3.235947       3.355476  
1 1 1 -7  4  16 o 89.51347 0.5778697 4105.479   53.00499 3971.800  101.2000 4252.500   111.3000 88.03886 1.121780  91.09580 1.192335  -3.056938      1.637087  
1 1 1 -7  4  17 o 74.67357 0.6091141 2857.105   46.60837 3287.600  132.5000 2623.500   71.90000 80.08868 1.614531  71.55257 0.9806302 8.536110       1.889007  
1 1 1 -7  4  18 o 230.9381 1.560309  27336.57   369.2364 26992.20  887.3000 27582.00   632.4000 229.2428 3.777256  231.8787 2.661538  -2.635895      4.620763  
1 1 1 -7  4  19 o 41.44035 0.4434479 879.8990   18.83061 1087.100  52.70000 764.7000   29.30000 46.05693 1.116650  38.63109 0.7401713 7.425842       1.339687  
1 1 1 -7  4  20 o 105.6158 0.7911889 5715.977   85.62637 5803.800  210.8000 5655.900   144.2000 106.3850 1.933712  105.0448 1.339653  1.340202       2.352426  
1 1 1 -7  4  21 o 146.3855 1.065037  10982.20   159.7574 10232.50  369.4000 11553.50   281.5000 141.2044 2.552996  150.1026 1.830171  -8.898209      3.141228  
1 1 1 -7  4  22 o 82.76886 0.6747682 3510.387   57.22950 3318.600  132.4000 3656.400   100.8000 80.45335 1.606000  84.46255 1.164657  -4.009201      1.983850  
1 1 1 -7  4  23 f 108.6868 0.8318511 6053.501   92.64474 5761.300  221.8000 6263.100   159.1000 105.9793 2.042407  110.5324 1.404695  -4.553185      2.478829  
1 1 1 -7  4  24 o 89.65987 0.7157783 4119.365   65.76200 3948.300  163.3000 4234.700   110.1000 87.74240 1.816261  90.89450 1.182092  -3.152100      2.167059  
1 1 1 -7  4  25 o 64.11469 0.5720134 2106.336   37.58046 2324.800  99.20000 1973.100   60.50000 67.33937 1.437620  62.04820 0.9515417 5.291172       1.724002  
1 1 1 -7  4  26 o 169.0909 1.205514  14656.17   208.8772 14221.00  484.8000 14985.60   367.0000 166.3768 2.843620  170.8965 2.095726  -4.519745      3.532456  
1 1 1 -7  4  27 o 74.75656 0.6577373 2863.768   50.38487 3015.900  118.6000 2751.400   87.60000 76.68989 1.509205  73.26244 1.166875  3.427452       1.907694  
1 1 1 -7  4  28 o 45.73400 0.4832628 1071.746   22.64754 1094.100  54.80000 1056.000   38.60000 46.18260 1.158903  45.39221 0.8298652 0.7903900      1.425388  
1 1 1 -7  4  29 o 40.70372 0.4682041 848.9555   19.52845 895.4000  45.70000 814.3000   34.10000 41.77888 1.068360  39.85943 0.8348815 1.919449       1.355883  
1 1 1 -7  4  30 o 58.47532 0.5182668 1752.206   31.05449 1723.500  75.20000 1772.400   52.90000 57.97058 1.265936  58.80223 0.8779372 -0.8316536     1.540574  
1 1 1 -7  4  31 f 20.27296 0.5523384 210.7776   11.46346 297.9000  28.90000 153.5000   19.00000 24.07189 1.175178  17.26775 1.079186  6.804146       1.595520  
1 1 1 -7  4  32 o 77.57187 0.6154035 3084.150   48.91731 2996.700  113.1000 3150.800   86.20000 76.40134 1.444652  78.37638 1.073306  -1.975044      1.799724  
1 1 1 -7  4  33 o 53.30577 0.5735446 1456.423   31.32851 1307.700  55.70000 1647.600   71.60000 50.48579 1.076682  56.65618 1.233296  -6.170387      1.637151  
1 1 1 -7  4  34 o 71.44313 1.609113  0.000000   0.000000 ?         ?        2624.700   117.8000 ?        ?         71.44313 1.609113  0.000000       1.609113  
1 1 1 -7  5  1  o 84.17028 0.7235618 3629.975   62.40692 3607.000  136.6000 3649.300   114.9000 83.89694 1.588935  84.38995 1.328712  -0.4930038     2.071278  
1 1 1 -7  5  2  o 69.96694 0.4338678 2508.190   31.10633 2305.600  58.60000 2737.400   66.30000 67.08040 0.8525180 73.09233 0.8852040 -6.011932      1.228972  
1 1 1 -7  5  3  o 204.6131 1.151342  21452.57   241.3995 21606.30  482.1000 21298.40   483.5000 205.3141 2.291500  203.8451 2.314716  1.468994       3.257128  
1 1 1 -7  5  4  o 300.8509 1.666856  46383.47   513.8634 47793.60  1056.700 45048.60   1000.300 305.2890 3.377864  296.3987 3.293484  8.890289       4.717732  
1 1 1 -7  5  5  o 183.9665 1.046499  17341.34   197.2768 17564.10  402.3000 17127.00   387.1000 185.1200 2.120793  182.8037 2.066521  2.316360       2.961127  
1 1 1 -7  5  6  o 235.1246 1.335940  28328.60   321.8721 27793.20  635.6000 28877.90   652.1000 232.8439 2.663917  237.3432 2.681261  -4.499329      3.779631  
1 1 1 -7  5  7  f 133.9194 0.7915652 9189.189   108.6247 9133.700  217.6000 9244.500   216.9000 133.5044 1.590615  134.3120 1.575965  -0.8075714     2.239134  
1 1 1 -7  5  8  o 120.8166 1.449096  0.000000   0.000000 ?         ?        7479.900   179.4000 ?        ?         120.8166 1.449096  0.000000       1.449096  
1 1 1 -7  5  9  o 185.7044 1.070661  17670.73   203.7382 17412.80  400.5000 17937.80   414.7000 184.3184 2.120487  187.0749 2.163317  -2.756561      3.029258  
1 1 1 -7  5  10 o 256.1172 1.467619  33614.59   385.1682 33227.60  777.4000 33994.60   763.4000 254.5638 2.980228  257.4909 2.893290  -2.927048      4.153659  
1 1 1 -7  5  11 o 80.49680 0.5257877 3319.990   43.36980 3251.300  85.80000 3390.200   87.70000 79.65669 1.051155  81.34040 1.052192  -1.683708      1.487291  
1 1 1 -7  5  12 f 135.0848 0.8155865 9349.958   112.8950 9348.800  227.3000 9351.100   224.3000 135.0628 1.642348  135.0799 1.620467  -0.1710510E-01 2.307210  
1 1 1 -7  5  13 o 301.8982 1.980240  46717.31   612.5998 44459.00  1417.400 48436.30   1078.900 294.2155 4.701415  307.2695 3.426600  -13.05405      5.817636  
1 1 1 -7  5  14 o 253.7434 1.688584  32999.98   439.0518 32990.10  1056.600 33007.00   751.2000 253.4874 4.067766  253.6828 2.889790  -0.1954041     4.989750  
1 1 1 -7  5  15 o 195.6181 1.330012  19610.83   266.6018 19170.50  622.7000 19940.50   466.2000 193.2977 3.143792  197.2055 2.307039  -3.907806      3.899468  
1 1 1 -7  5  16 f 278.8977 1.850069  39875.02   528.7267 38273.90  1242.100 41061.70   920.6000 272.8780 4.442114  282.8634 3.176112  -9.985443      5.460775  
1 1 1 -7  5  17 o 129.1376 0.9351169 8545.659   123.7419 8348.700  302.5000 8682.000   209.4000 127.5868 2.313776  130.1441 1.570196  -2.557343      2.796261  
1 1 1 -7  5  18 o 98.42980 0.7797638 4964.544   78.64806 4826.100  186.5000 5065.500   136.0000 97.01680 1.876003  99.41281 1.335052  -2.396011      2.302553  
1 1 1 -7  5  19 f 130.1880 0.9560559 8685.755   127.5418 8658.300  303.1000 8705.700   220.2000 129.9140 2.276835  130.3085 1.649097  -0.3944855     2.811316  
1 1 1 -7  5  20 o 108.4870 0.8405326 6031.199   93.43956 5579.700  222.1000 6359.100   161.3000 104.2985 2.078127  111.3784 1.413302  -7.079926      2.513172  
1 1 1 -7  5  21 o 172.8771 1.196018  15318.38   211.8720 15137.80  509.1000 15447.10   362.9000 171.6927 2.893696  173.5373 2.040778  -1.844574      3.540940  
1 1 1 -7  5  22 o 88.68257 0.7022002 4030.013   63.81131 3861.200  151.4000 4153.000   110.3000 86.77531 1.702673  90.01349 1.195830  -3.238174      2.080651  
1 1 1 -7  5  23 o 162.4675 0.9706932 13527.71   161.6021 13437.40  327.1000 13615.90   319.4000 161.8527 1.972251  162.9298 1.913093  -1.077072      2.747671  
1 1 1 -7  5  24 o 172.1917 1.020655  15196.22   180.0900 14914.20  349.0000 15496.90   372.1000 170.5071 1.997490  173.7958 2.089402  -3.288681      2.890600  
1 1 1 -7  5  25 f 36.48862 0.3975805 682.1916   14.86555 735.4000  30.50000 631.6000   29.00000 37.88195 0.7857223 35.10664 0.8061399 2.775318       1.125709  
1 1 1 -7  5  26 o 36.63963 0.4055530 687.8558   15.22639 712.8000  31.70000 664.8000   29.30000 37.29439 0.8295020 36.01719 0.7938883 1.277199       1.148186  
1 1 1 -7  5  27 f 85.57835 0.5757649 3752.834   50.49025 3823.900  103.7000 3685.400   98.40000 86.36513 1.171769  84.78833 1.132559  1.576797       1.629641  
1 1 1 -7  5  28 o 110.7493 0.7117845 6285.785   80.77701 6422.500  170.5000 6162.700   153.5000 111.8998 1.486951  109.6225 1.366502  2.277267       2.019493  
1 1 1 -7  5  29 o 45.68602 0.4071841 1069.494   19.06217 998.5000  36.50000 1147.100   39.90000 44.13723 0.8070296 47.30730 0.8230881 -3.170078      1.152723  
1 1 1 -7  5  30 o 82.07362 0.5497791 3451.997   46.23706 3545.500  95.20000 3363.700   89.90000 83.14934 1.117326  80.99168 1.083230  2.157654       1.556215  
1 1 1 -7  5  31 o 18.84754 0.5655770 182.2196   10.91071 130.8000  26.00000 219.4000   18.80000 15.87697 1.620825  20.66693 0.8898201 -4.789963      1.849014  
1 1 1 -7  5  32 o 56.36955 0.6199962 1628.720   35.81228 1710.500  70.30000 1543.800   73.00000 57.73384 1.188301  54.83992 1.299055  2.893925       1.760569  
1 1 1 -7  5  33 o 53.06283 1.292905  0.000000   0.000000 ?         ?        1445.900   70.30000 ?        ?         53.06283 1.292905  0.000000       1.292905  
1 1 1 -7  6  1  o 186.9374 1.087488  17906.42   208.3143 18425.10  609.8000 17637.30   316.4000 189.5489 3.139552  185.5136 1.664417  4.035294       3.553459  
1 1 1 -7  6  2  o 263.9919 1.715635  35716.36   464.1025 36065.80  1140.800 35476.70   782.4000 265.1012 4.199518  263.0384 2.902761  2.062775       5.105093  
1 1 1 -7  6  3  o 158.9659 0.9132068 12948.21   148.7550 13443.90  309.4000 12489.20   286.5000 161.9606 1.864286  156.1059 1.791046  5.854691       2.585229  
1 1 1 -7  6  4  o 298.0829 1.646276  45535.48   502.8495 45445.00  1006.700 45625.80   1004.700 297.6752 3.300343  298.2679 3.287241  -0.5927429     4.658134  
1 1 1 -7  6  5  o 206.5232 1.160285  21855.46   245.5455 22018.80  493.2000 21693.50   489.0000 207.2549 2.322308  205.7184 2.319730  1.536545       3.282417  
1 1 1 -7  6  6  f 360.5557 1.982417  66630.41   732.4292 65828.90  1457.100 67440.50   1472.700 358.1828 3.969961  362.5415 3.964223  -4.358704      5.610317  
1 1 1 -7  6  7  o 174.7117 1.000631  15640.62   179.1408 15246.00  353.4000 16046.30   363.3000 172.4690 1.999665  176.9376 2.003765  -4.468613      2.830854  
1 1 1 -7  6  8  o 122.5781 0.7390982 7698.708   92.83539 7885.200  190.7000 7521.800   180.9000 124.0435 1.500301  121.1522 1.457166  2.891296       2.091467  
1 1 1 -7  6  9  o 129.4387 0.9264092 8584.912   122.8755 7404.300  271.3000 9562.300   224.6000 120.1842 2.202947  136.5961 1.604623  -16.41193      2.725397  
1 1 1 -7  6  10 o 100.7001 0.7214499 5195.819   74.44483 5266.700  179.1000 5145.400   127.4000 101.3706 1.724190  100.2046 1.240748  1.166039       2.124214  
1 1 1 -7  6  11 o 134.7096 1.020228  9298.680   140.8296 9834.000  398.5000 9006.100   217.8000 138.4743 2.808411  132.5608 1.603409  5.913513       3.233897  
1 1 1 -7  6  12 o 171.4541 1.174215  15064.18   206.2974 15421.40  499.8000 14813.10   351.3000 173.3978 2.812900  169.9881 2.016793  3.409760       3.461194  
1 1 1 -7  6  13 o 200.5701 1.369869  20616.93   281.5423 20731.90  675.2000 20534.70   482.9000 200.9941 3.278316  200.1143 2.354944  0.8797455      4.036473  
1 1 1 -7  6  14 o 124.4968 0.8772082 7942.208   111.9075 8173.500  275.2000 7783.700   188.6000 126.2566 2.127139  123.2331 1.493538  3.023582       2.599110  
1 1 1 -7  6  15 o 238.4962 1.579548  29156.72   386.0226 28583.20  912.8000 29577.00   668.9000 235.8735 3.776574  240.0965 2.718798  -4.222977      4.653426  
1 1 1 -7  6  16 o 160.5607 1.101426  13211.78   181.2145 12735.60  414.8000 13581.20   321.8000 157.5485 2.569366  162.7456 1.929649  -5.197098      3.213283  
1 1 1 -7  6  17 o 106.7923 0.8128344 5844.107   88.94889 5980.100  207.3000 5741.900   155.8000 107.9904 1.873337  105.8363 1.436595  2.154037       2.360762  
1 1 1 -7  6  18 o 121.2743 0.8928343 7536.968   110.9528 7553.000  262.1000 7525.200   192.4000 121.3455 2.107875  121.1543 1.549773  0.1912689      2.616282  
1 1 1 -7  6  19 o 107.7369 0.6852309 5947.745   75.64838 5925.000  150.6000 5970.700   152.0000 107.5103 1.367025  107.9238 1.374447  -0.4135284     1.938521  
1 1 1 -7  6  20 o 40.84152 0.4238439 854.6622   17.73806 871.5000  37.70000 839.7000   33.50000 41.23825 0.8921601 40.47971 0.8076236 0.7585335      1.203414  
1 1 1 -7  6  21 o 194.3467 1.131559  19359.20   225.3475 19554.50  452.2000 19165.20   449.2000 195.2140 2.260587  193.2600 2.268294  1.953964       3.202407  
1 1 1 -7  6  22 f 60.45176 0.4645067 1872.472   28.77394 1918.500  57.90000 1827.000   57.20000 61.18421 0.9235083 59.70715 0.9349133 1.477066       1.314127  
1 1 1 -7  6  23 o 175.6445 1.048929  15812.24   188.7899 15006.20  355.8000 16723.40   402.2000 171.0247 2.030246  180.5273 2.174207  -9.502579      2.974740  
1 1 1 -7  6  24 o 131.2512 0.7964044 8828.177   107.1113 8526.100  205.6000 9156.700   223.6000 128.9458 1.556028  133.6235 1.633016  -4.677704      2.255652  
1 1 1 -7  6  25 o 43.16874 0.3825932 954.8425   16.92408 940.4000  33.60000 969.5000   34.10000 42.83736 0.7654524 43.49510 0.7650955 -0.6577415     1.082261  
1 1 1 -7  6  26 o 49.27560 0.4103194 1244.128   20.71821 1210.400  40.70000 1279.100   42.20000 48.59760 0.8172995 49.95758 0.8243519 -1.359989      1.160834  
1 1 1 -7  6  27 o 3.505803 1.439580  1.937237   8.285285 -8.700000 17.80000 11.20000   15.50000 4.311366 1.935978  5.454725 2.047759  -1.143359      2.818036  
1 1 1 -7  6  28 o 47.41862 0.4135012 1152.156   20.09204 1196.800  39.40000 1105.700   41.00000 48.32177 0.7957104 46.44471 0.8614880 1.877056       1.172739  
1 1 1 -7  6  29 o 74.18716 0.5070906 2820.378   38.54896 2720.300  76.70000 2921.500   77.50000 72.83785 1.027637  75.48486 1.001944  -2.647011      1.435246  
1 1 1 -7  6  30 o 56.36922 0.4434752 1628.283   25.61591 1523.700  47.50000 1750.700   55.60000 54.51591 0.8502996 58.43216 0.9285910 -3.916256      1.259083  
1 1 1 -7  6  31 o 104.0255 0.6686918 5547.108   71.27942 5866.300  151.9000 5264.900   134.3000 106.8878 1.386856  101.2749 1.294124  5.612915       1.896873  
1 1 1 -7  6  32 o 42.96192 0.4648880 945.9398   20.46588 954.6000  34.60000 933.4000   50.10000 43.14650 0.7825861 42.62891 1.147970  0.5175934      1.389344  
1 1 1 -7  6  33 o 33.56587 0.5500137 577.5191   18.91776 472.0000  35.50000 697.9000   40.50000 30.29986 1.145439  36.85909 1.073433  -6.559225      1.569806  
1 1 1 -7  7  1  o 214.0612 1.915665  0.000000   0.000000 ?         ?        23488.50   420.2000 ?        ?         214.0612 1.915665  0.000000       1.915665  
1 1 1 -7  7  2  o 237.4195 1.561809  28889.35   379.9643 27375.00  878.6000 30043.30   669.5000 230.9442 3.712664  242.0391 2.699396  -11.09491      4.590274  
1 1 1 -7  7  3  o 288.5947 1.594414  42686.03   471.5067 42101.70  924.3000 43294.50   962.5000 286.4781 3.148641  290.4979 3.233399  -4.019836      4.513182  
1 1 1 -7  7  4  o 218.6054 1.227099  24489.14   274.8772 24035.40  542.6000 24955.00   557.1000 216.5090 2.445713  220.6107 2.464383  -4.101685      3.471987  
1 1 1 -7  7  5  o 354.8057 2.263123  64541.14   822.8052 63085.90  1924.000 65628.50   1437.600 350.2494 5.360796  357.5450 3.923820  -7.295532      6.643380  
1 1 1 -7  7  6  o 250.2554 1.618072  32098.59   414.9344 30054.10  934.2000 33732.30   746.5000 241.9687 3.767752  256.4523 2.840697  -14.48355      4.718635  
1 1 1 -7  7  7  o 75.29952 0.5448132 2905.163   42.03763 2903.400  97.50000 2906.500   73.90000 75.26994 1.264109  75.31364 0.9575742 -0.4370117E-01 1.585850  
1 1 1 -7  7  8  o 241.1048 1.589958  29794.64   392.8167 30417.10  958.9000 29362.70   665.4000 243.3960 3.844691  239.2676 2.713942  4.128448       4.706074  
1 1 1 -7  7  9  o 203.8510 1.331949  21296.65   278.2267 20594.00  641.7000 21834.50   491.2000 200.3382 3.125863  206.3523 2.323008  -6.014099      3.894532  
1 1 1 -7  7  10 o 63.66955 0.5079762 2077.065   33.14160 2345.500  87.90000 1914.600   53.20000 67.65140 1.267984  61.12648 0.8493445 6.524918       1.526162  
1 1 1 -7  7  11 o 314.6212 2.049696  50753.43   660.8090 47784.30  1503.000 53083.10   1179.300 304.7722 4.812662  321.5178 3.579489  -16.74561      5.997871  
1 1 1 -7  7  12 o 90.41562 0.6695625 4188.832   62.03445 4522.100  156.9000 3970.900   102.6000 93.92355 1.630234  88.02500 1.137478  5.898552       1.987843  
1 1 1 -7  7  13 o 158.8357 1.105233  12929.38   179.8872 12774.90  431.1000 13040.00   308.7000 157.7850 2.666330  159.4738 1.889073  -1.688843      3.267708  
1 1 1 -7  7  14 o 26.17850 0.4579103 351.1390   12.28354 321.7000  25.50000 378.5000   23.70000 25.03500 0.9960058 27.16427 0.8524911 -2.129272      1.311018  
1 1 1 -7  7  15 o 17.04232 0.5438836 148.9707   9.485861 196.4000  22.50000 114.4000   16.40000 19.54313 1.128341  14.90132 1.081399  4.641817       1.562875  
1 1 1 -7  7  16 o 187.0372 1.089323  17929.29   208.7772 17174.30  409.9000 18713.00   425.5000 182.9687 2.186264  190.9906 2.174148  -8.021927      3.083289  
1 1 1 -7  7  17 o 68.04767 0.4918688 2372.597   34.29737 2234.500  69.20000 2508.300   68.00000 66.03025 1.022739  69.96024 0.9485478 -3.929993      1.394897  
1 1 1 -7  7  18 o 165.5843 0.9743308 14051.62   165.3195 13660.40  323.5000 14460.50   338.1000 163.1968 1.934480  167.9052 1.965091  -4.708374      2.757498  
1 1 1 -7  7  19 o 72.16224 0.5159236 2668.230   38.14993 2683.300  76.40000 2653.200   76.20000 72.35706 1.030419  71.95001 1.033536  0.4070511      1.459439  
1 1 1 -7  7  20 o 35.93486 0.3581733 661.6340   13.18887 774.3000  28.30000 563.3000   24.70000 38.87193 0.7104802 33.15505 0.7270243 5.716873       1.016536  
1 1 1 -7  7  21 o 131.3800 0.7992148 8845.400   107.5948 8923.800  213.7000 8765.900   216.7000 131.9209 1.580857  130.7460 1.617454  1.174820       2.261696  
1 1 1 -7  7  22 o 74.62788 0.5176179 2853.717   39.58301 2990.800  84.20000 2732.100   74.70000 76.38755 1.075700  73.01115 0.9984654 3.376396       1.467673  
1 1 1 -7  7  23 o 127.7260 0.8047159 8360.491   105.3223 8096.300  201.8000 8648.900   220.3000 125.6495 1.567336  129.8598 1.655546  -4.210373      2.279775  
1 1 1 -7  7  24 f 143.5326 0.8566520 10558.52   125.9950 10885.30  258.5000 10247.80   245.8000 145.6677 1.731804  141.3414 1.697126  4.326370       2.424744  
1 1 1 -7  7  25 o 68.69087 0.4769937 2417.763   33.57454 2441.200  67.40000 2394.500   66.90000 69.01173 0.9531003 68.34839 0.9552113 0.6633453      1.349381  
1 1 1 -7  7  26 o 95.86208 0.6160534 4709.250   60.51508 4828.700  119.5000 4586.700   122.6000 97.04214 1.201736  94.57513 1.265072  2.467003       1.744871  
1 1 1 -7  7  27 o 65.68584 0.4861979 2210.946   32.72527 2118.800  63.70000 2308.300   67.30000 64.28801 0.9669657 67.10084 0.9787883 -2.812828      1.375881  
1 1 1 -7  7  28 o 83.94680 0.5614638 3611.451   48.29746 3652.900  97.30000 3570.600   95.90000 84.39639 1.125099  83.44049 1.121614  0.9558945      1.588668  
1 1 1 -7  7  29 o 68.93811 0.4962489 2435.506   35.05560 2466.900  68.50000 2402.600   71.80000 69.35841 0.9638136 68.44464 1.023733  0.9137726      1.406046  
1 1 1 -7  7  30 o 99.53087 0.6376435 5077.967   65.03305 5168.200  132.2000 4990.600   128.0000 100.3384 1.285778  98.60210 1.266851  1.736313       1.805030  
1 1 1 -7  7  31 o 32.67068 0.4254689 547.0093   14.24375 593.1000  25.80000 490.2000   31.80000 34.01052 0.7403005 30.89344 1.005870  3.117079       1.248927  
1 1 1 -7  7  32 o 27.42317 0.5676029 385.5000   15.95000 352.0000  31.90000 419.0000   31.90000 26.15483 1.193401  28.54952 1.092435  -2.394697      1.617906  
1 1 1 -7  8  1  o 182.5021 1.649639  0.000000   0.000000 ?         ?        17074.10   308.5000 ?        ?         182.5021 1.649639  0.000000       1.649639  
1 1 1 -7  8  2  o 62.80460 0.6588340 0.000000   0.000000 ?         ?        2021.100   42.40000 ?        ?         62.80460 0.6588340 0.000000       0.6588340 
1 1 1 -7  8  3  o 93.68478 1.165635  0.000000   0.000000 ?         ?        4498.000   111.9000 ?        ?         93.68478 1.165635  0.000000       1.165635  
1 1 1 -7  8  4  o 83.51066 0.5967042 3573.402   51.06219 3487.200  115.7000 3641.500   91.40000 82.48524 1.368859  84.29646 1.058129  -1.811218      1.730148  
1 1 1 -7  8  5  o 93.98478 0.6501873 4526.046   62.61730 4186.100  137.9000 4808.800   114.7000 90.37064 1.489150  96.86749 1.155545  -6.496841      1.884902  
1 1 1 -7  8  6  o 156.0880 1.049526  12485.39   167.8653 12360.70  403.8000 12574.10   287.3000 155.2244 2.538679  156.6089 1.790280  -1.384430      3.106444  
1 1 1 -7  8  7  o 199.5533 1.327122  20409.98   271.3739 20207.50  635.0000 20561.10   473.9000 198.3987 3.123464  200.2175 2.309864  -1.818726      3.884778  
1 1 1 -7  8  8  o 282.2173 1.838643  40836.70   531.7156 38630.50  1215.800 42551.50   945.0000 274.0366 4.329675  287.8692 3.203600  -13.83261      5.386013  
1 1 1 -7  8  9  o 140.8070 0.9394199 10160.23   135.5447 9619.500  307.0000 10587.70   242.7000 136.9486 2.187672  143.7089 1.648116  -6.760239      2.739014  
1 1 1 -7  8  10 o 160.2482 1.071952  13160.54   176.0219 12819.40  409.9000 13417.30   308.5000 158.0583 2.530826  161.7590 1.861179  -3.700729      3.141507  
1 1 1 -7  8  11 o 46.71444 0.4131250 1118.122   19.77566 1082.700  43.30000 1147.900   36.40000 45.96459 0.9193187 47.33004 0.7505267 -1.365448      1.186776  
1 1 1 -7  8  12 o 23.49601 0.3852060 282.8615   9.274394 293.9000  18.70000 272.0000   18.40000 23.93653 0.7633746 23.02584 0.7809676 0.9106941      1.092086  
1 1 1 -7  8  13 o 123.9448 0.7417094 7872.106   94.20206 8359.100  200.1000 7438.900   178.0000 127.6895 1.529302  120.4607 1.442036  7.228813       2.101959  
1 1 1 -7  8  14 o 13.33657 0.6586480 91.36240   8.973259 53.30000  17.70000 130.5000   18.20000 10.04534 1.784929  15.91720 1.123061  -5.871855      2.108847  
1 1 1 -7  8  15 o 83.02641 0.5355526 3532.135   45.56347 3457.000  89.70000 3609.700   92.60000 82.12841 1.065861  83.92237 1.076800  -1.793961      1.515110  
1 1 1 -7  8  16 o 170.2434 0.9787803 14853.74   170.7473 14909.60  347.6000 14799.80   335.6000 170.4853 1.989731  169.8626 1.928083  0.6226807      2.770656  
1 1 1 -7  8  17 o 82.45445 0.5358401 3483.658   45.27388 3385.100  90.10000 3583.200   91.00000 81.26851 1.081942  83.61322 1.062106  -2.344711      1.516136  
1 1 1 -7  8  18 o 99.50595 0.6293283 5073.669   64.16891 4874.600  129.6000 5268.900   127.1000 97.51402 1.296999  101.3843 1.223423  -3.870239      1.782967  
1 1 1 -7  8  19 o 150.4890 0.8795384 11606.22   135.6307 12138.40  283.9000 11119.40   259.7000 153.8367 1.800973  147.2449 1.721208  6.591736       2.491196  
1 1 1 -7  8  20 o 99.16452 0.6044562 5038.917   61.42138 5270.600  128.1000 4825.500   118.0000 101.3979 1.232882  97.02393 1.186875  4.374016       1.711336  
1 1 1 -7  8  21 o 152.0849 0.8781987 11854.02   136.8602 12381.90  288.6000 11377.90   260.3000 155.3613 1.812822  148.9398 1.705552  6.421478       2.489022  
1 1 1 -7  8  22 o 163.6933 0.9502231 13733.87   159.3877 13892.90  321.6000 13577.60   316.0000 164.5450 1.907362  162.6685 1.895768  1.876434       2.689231  
1 1 1 -7  8  23 o 148.6088 0.8837882 11319.24   134.5833 11202.80  266.2000 11438.30   272.2000 147.7622 1.758112  149.3046 1.779167  -1.542404      2.501278  
1 1 1 -7  8  24 o 130.8754 0.8027056 8778.710   107.6496 8810.200  214.9000 8747.100   215.7000 131.0441 1.600370  130.5727 1.612127  0.4714355      2.271594  
1 1 1 -7  8  25 o 90.72442 0.5881725 4218.020   54.67984 4147.500  107.3000 4291.300   111.5000 89.93508 1.164320  91.47923 1.189471  -1.544144      1.664477  
1 1 1 -7  8  26 o 55.04014 0.4476330 1552.349   25.24644 1535.600  49.90000 1569.500   51.10000 54.73094 0.8897527 55.33136 0.9012623 -0.6004181     1.266465  
1 1 1 -7  8  27 o 76.03657 0.5043985 2962.833   39.30019 3075.400  81.50000 2858.000   75.90000 77.44125 1.027039  74.65617 0.9921510 2.785088       1.427996  
1 1 1 -7  8  28 o 12.93410 0.6792970 85.98969   8.971587 81.30000  18.30000 90.50000   17.60000 12.49898 1.456055  13.21325 1.317423  -0.7142658     1.963594  
1 1 1 -7  8  29 o 51.82064 0.3980296 1376.135   21.13570 1463.500  43.40000 1293.200   41.20000 53.42434 0.7927791 50.21948 0.8006204 3.204857       1.126717  
1 1 1 -7  8  30 o 51.42583 0.4785931 1355.435   25.22006 1370.300  43.30000 1334.700   60.40000 51.69020 0.8174878 50.98906 1.156010  0.7011375      1.415855  
1 1 1 -7  9  1  o 49.63404 0.5347993 0.000000   0.000000 ?         ?        1262.300   27.20000 ?        ?         49.63404 0.5347993 0.000000       0.5347993 
1 1 1 -7  9  2  o 73.94259 0.7272078 0.000000   0.000000 ?         ?        2801.700   55.10000 ?        ?         73.94259 0.7272078 0.000000       0.7272078 
1 1 1 -7  9  3  o 12.62527 0.6593068 0.000000   0.000000 ?         ?        81.90000   8.500000 ?        ?         12.62527 0.6593068 0.000000       0.6593068 
1 1 1 -7  9  4  o 103.9187 1.008584  0.000000   0.000000 ?         ?        5534.500   107.4000 ?        ?         103.9187 1.008584  0.000000       1.008584  
1 1 1 -7  9  5  o 27.49962 0.6423230 0.000000   0.000000 ?         ?        387.5000   18.10000 ?        ?         27.49962 0.6423230 0.000000       0.6423230 
1 1 1 -7  9  6  o 124.4771 0.8613058 7940.317   109.8614 7591.000  252.8000 8208.800   194.3000 121.6507 2.027982  126.5373 1.498497  -4.886658      2.521548  
1 1 1 -7  9  7  o 102.8531 0.7369984 5420.887   77.67520 4980.300  175.9000 5769.300   139.1000 98.54998 1.741851  106.0905 1.279536  -7.540504      2.161309  
1 1 1 -7  9  8  o 117.3864 0.7130799 7061.017   85.77375 6469.000  161.6000 7730.700   182.8000 112.3342 1.403884  122.7988 1.452726  -10.46461      2.020224  
1 1 1 -7  9  9  o 96.21404 0.6026869 4743.413   59.41944 4669.000  120.0000 4816.400   117.7000 95.44059 1.227015  96.93683 1.184921  -1.496239      1.705755  
1 1 1 -7  9  10 o 61.53750 0.9277215 1940.700   58.50000 1940.700  58.50000 ?          ?        61.53750 0.9277215 ?        ?         0.000000       0.9277215 
1 1 1 -7  9  11 o 2.487701 1.163290  -7.403389  7.372881 -7.600000 14.50000 -7.200000  15.00000 3.862421 1.739753  3.967592 1.779754  -0.1051712     2.488828  
1 1 1 -7  9  12 o 15.71651 0.4677682 126.6761   7.524917 209.5000  15.00000 43.30000   15.10000 20.20658 0.7256142 9.043086 1.691700  11.16349       1.840751  
1 1 1 -7  9  13 f 58.63425 0.3961117 1761.541   23.79948 1647.500  44.70000 1891.400   50.90000 56.70061 0.7693455 60.75212 0.8176322 -4.051510      1.122682  
1 1 1 -7  9  14 o 140.4154 0.8169837 10103.96   117.5511 10400.90  244.5000 9829.000   226.4000 142.4146 1.675429  138.4497 1.595828  3.964920       2.313813  
1 1 1 -7  9  15 o 59.07664 0.4043931 1788.231   24.48036 1847.600  52.20000 1735.800   46.10000 60.04373 0.8484074 58.19992 0.7730012 1.843811       1.147748  
1 1 1 -7  9  16 o 113.3880 0.6893747 6588.300   80.09785 6367.000  157.3000 6817.900   163.2000 111.4402 1.377490  115.3185 1.381092  -3.878319      1.950614  
1 1 1 -7  9  17 o 56.57645 0.4173355 1640.086   24.19465 1734.200  51.80000 1557.600   45.40000 58.17107 0.8690092 55.13074 0.8036439 3.040325       1.183647  
1 1 1 -7  9  18 o 51.38631 0.4005719 1352.974   21.09242 1268.800  41.40000 1440.400   43.00000 49.75755 0.8119756 53.01596 0.7915228 -3.258408      1.133937  
1 1 1 -7  9  19 o 128.7795 0.7534031 8498.838   99.41971 8548.900  200.3000 8449.500   197.4000 129.1140 1.513942  128.3622 1.500761  0.7518005      2.131737  
1 1 1 -7  9  20 f 96.95825 0.5921817 4817.306   58.83533 5017.200  123.1000 4634.300   112.7000 98.92526 1.214374  95.07832 1.156762  3.846939       1.677141  
1 1 1 -7  9  21 o 193.1579 1.118268  19127.53   221.3384 19049.00  439.5000 19207.20   445.9000 192.5866 2.227073  193.3797 2.250236  -0.7931519     3.165978  
1 1 1 -7  9  22 o 80.28826 0.5399923 3303.242   44.42608 3255.200  91.90000 3348.200   86.00000 79.68144 1.125538  80.81574 1.038494  -1.134300      1.531439  
1 1 1 -7  9  23 o 58.60641 0.4412036 1759.991   26.49614 1794.900  51.30000 1722.700   54.80000 59.17533 0.8460154 57.97055 0.9225178 1.204784       1.251711  
1 1 1 -7  9  24 o 60.24639 0.4390271 1859.900   27.10321 1777.200  50.50000 1955.700   58.50000 58.88121 0.8369823 61.76410 0.9243180 -2.882889      1.246958  
1 1 1 -7  9  25 o 41.72819 0.3840217 892.2370   16.42040 885.6000  32.30000 899.1000   33.40000 41.56536 0.7583551 41.88044 0.7782817 -0.3150826     1.086658  
1 1 1 -7  9  26 o 59.53119 1.062263  0.000000   0.000000 ?         ?        1817.800   64.80000 ?        ?         59.53119 1.062263  0.000000       1.062263  
1 1 1 -7  9  27 o 26.99223 0.4482050 373.3800   12.39692 403.4000  31.60000 354.0000   20.40000 28.01766 1.102823  26.26554 0.7587536 1.752115       1.338629  
1 1 1 -7  9  28 f 17.07358 0.4440037 149.4971   7.761415 173.5000  14.90000 123.4000   16.20000 18.37673 0.7931281 15.47379 1.027512  2.902937       1.298011  
1 1 1 -7  9  29 o 14.66945 0.5911691 110.4958   8.868157 100.7000  14.10000 127.1000   23.90000 13.97336 0.9911699 15.64963 1.509067  -1.676274      1.805464  
1 1 1 -7  10 1  o 99.35985 0.8387810 0.000000   0.000000 ?         ?        5059.300   85.40000 ?        ?         99.35985 0.8387810 0.000000       0.8387810 
1 1 1 -7  10 2  o 4.655333 1.397741  0.000000   0.000000 ?         ?        11.20000   7.200000 ?        ?         4.655333 1.397741  0.000000       1.397741  
1 1 1 -7  10 3  o 38.92631 0.4663064 0.000000   0.000000 ?         ?        776.4000   18.60000 ?        ?         38.92631 0.4663064 0.000000       0.4663064 
1 1 1 -7  10 4  o 86.31512 0.8615286 0.000000   0.000000 ?         ?        3818.100   76.20000 ?        ?         86.31512 0.8615286 0.000000       0.8615286 
1 1 1 -7  10 5  o 53.19641 0.3985996 1449.959   21.72789 1572.400  68.60000 1393.200   31.80000 55.38518 1.208738  52.14317 0.5951567 3.242012       1.347316  
1 1 1 -7  10 6  o 69.65646 0.5487399 2486.189   39.16754 2599.800  105.2000 2418.800   62.40000 71.20943 1.441716  68.70048 0.8863932 2.508957       1.692406  
1 1 1 -7  10 7  o 134.3736 0.7879373 9253.059   108.4936 8943.900  210.4000 9582.200   224.0000 132.0705 1.554682  136.6989 1.599134  -4.628357      2.230306  
1 1 1 -7  10 8  o 20.36055 0.4698086 212.4122   9.801869 209.5000  15.20000 217.7000   27.60000 20.20605 0.7353406 20.56522 1.316633  -0.3591671     1.508061  
1 1 1 -7  10 9  o 129.0478 0.7718661 8534.079   102.0683 8511.700  205.8000 8556.100   202.5000 128.8389 1.558835  129.1764 1.529831  -0.3375397     2.184113  
1 1 1 -7  10 10 o 118.0314 0.7076597 7139.008   85.58945 6983.800  169.3000 7297.700   173.1000 116.7112 1.415618  119.3053 1.415921  -2.594055      2.002200  
1 1 1 -7  10 11 o 46.96854 0.3983708 1130.333   19.17313 1258.300  42.40000 1024.700   35.00000 49.55132 0.8350495 44.71674 0.7638351 4.834587       1.131703  
1 1 1 -7  10 12 o 106.0229 0.6418094 5760.112   69.72748 5419.700  135.1000 6123.200   144.1000 102.8198 1.282273  109.2892 1.286733  -6.469452      1.816564  
1 1 1 -7  10 13 f 55.89423 0.4148052 1600.772   23.75798 1646.100  49.60000 1559.100   45.60000 56.67432 0.8540769 55.15709 0.8067985 1.517231       1.174892  
1 1 1 -7  10 14 o 114.2433 0.6780674 6688.136   79.37834 6747.900  162.7000 6631.200   155.0000 114.7212 1.384030  113.7280 1.330044  0.9932022      1.919520  
1 1 1 -7  10 15 o 115.5964 0.6908926 6847.587   81.83765 6957.100  169.2000 6745.000   158.5000 116.4823 1.417562  114.6973 1.348583  1.785072       1.956568  
1 1 1 -7  10 16 f 146.0996 0.8598934 10939.53   128.7337 10824.80  260.4000 11051.70   254.6000 145.2623 1.749402  146.7827 1.692720  -1.520416      2.434278  
1 1 1 -7  10 17 o 107.8450 0.6423444 5960.013   70.98493 6360.800  152.5000 5611.000   132.8000 111.3783 1.336198  104.6138 1.238827  6.764534       1.822119  
1 1 1 -7  10 18 o 56.92362 0.4079020 1660.307   23.79287 1570.000  45.90000 1757.500   49.40000 55.34735 0.8093148 58.55881 0.8232587 -3.211464      1.154446  
1 1 1 -7  10 19 o 2.885003 1.274876  -2.452525  7.406061 2.200000  14.10000 -7.600000  15.60000 4.481485 1.862651  4.037932 1.812859  0.4435530      2.599217  
1 1 1 -7  10 20 f 63.10280 0.4579654 2040.414   29.61282 2124.800  61.40000 1961.800   57.20000 64.38226 0.9306873 61.86444 0.9023116 2.517818       1.296281  
1 1 1 -7  10 21 o 76.56382 0.4909374 3003.895   38.51661 2856.100  72.40000 3171.900   82.30000 74.64041 0.9465993 78.65494 1.021117  -4.014526      1.392383  
1 1 1 -7  10 22 o 93.00886 0.5845792 4433.306   55.71423 4560.500  113.0000 4309.600   109.9000 94.29765 1.169443  91.66698 1.170001  2.630676       1.654237  
1 1 1 -7  10 23 o 29.23180 0.3620997 437.8532   10.84631 432.7000  21.30000 443.2000   22.10000 29.05451 0.7154310 29.40458 0.7334641 -0.3500786     1.024603  
1 1 1 -7  10 24 o 58.20442 0.4149462 1736.028   24.74834 1888.000  53.30000 1604.300   46.20000 60.68114 0.8571861 55.93897 0.8059891 4.742168       1.176600  
1 1 1 -7  10 25 o 35.78086 0.3605959 656.0527   13.22117 679.8000  26.90000 633.1000   26.00000 36.41403 0.7209169 35.14098 0.7220397 1.273048       1.020325  
1 1 1 -7  10 26 f 31.55678 0.3401744 510.3000   11.00000 470.4000  22.00000 550.2000   22.00000 30.28960 0.7088116 32.75991 0.6553624 -2.470316      0.9653568 
1 1 1 -7  10 27 o 46.27916 0.3746082 1097.587   17.76484 1136.700  36.40000 1060.300   34.70000 47.08009 0.7545114 45.47094 0.7447272 1.609150       1.060144  
1 1 1 -7  11 1  o 102.8035 0.8733366 0.000000   0.000000 ?         ?        5416.400   92.00000 ?        ?         102.8035 0.8733366 0.000000       0.8733366 
1 1 1 -7  11 2  o 39.55534 0.4490223 0.000000   0.000000 ?         ?        801.7000   18.20000 ?        ?         39.55534 0.4490223 0.000000       0.4490223 
1 1 1 -7  11 3  o 65.08704 0.7076999 0.000000   0.000000 ?         ?        2170.900   47.20000 ?        ?         65.08704 0.7076999 0.000000       0.7076999 
1 1 1 -7  11 4  o 127.7232 1.204171  0.000000   0.000000 ?         ?        8362.700   157.6000 ?        ?         127.7232 1.204171  0.000000       1.204171  
1 1 1 -7  11 5  o 135.2895 1.274600  0.000000   0.000000 ?         ?        9383.500   176.7000 ?        ?         135.2895 1.274600  0.000000       1.274600  
1 1 1 -7  11 6  o 101.2897 0.6524987 5257.383   67.72410 4973.500  184.8000 5421.600   106.9000 98.46180 1.831622  102.8475 1.014344  -4.385742      2.093737  
1 1 1 -7  11 7  o 176.1027 1.178407  15897.70   212.6472 15672.70  512.8000 16057.10   363.3000 174.6210 2.865847  176.8932 2.004269  -2.272125      3.497166  
1 1 1 -7  11 8  o 185.5346 1.222221  17647.09   232.3662 17425.90  556.2000 17805.80   399.1000 184.1083 2.948216  186.2619 2.091026  -2.153580      3.614466  
1 1 1 -7  11 9  o 23.34333 0.4821124 279.2121   11.53213 275.8000  20.30000 283.7000   26.70000 23.18216 0.8560327 23.49922 1.111970  -0.3170662     1.403307  
1 1 1 -7  11 10 o 29.71474 0.3449265 452.4111   10.50260 526.2000  22.90000 389.9000   19.40000 32.04411 0.6974111 27.58359 0.6863609 4.460522       0.9785057 
1 1 1 -7  11 11 o 29.21147 0.8528125 437.7000   25.50000 437.7000  25.50000 ?          ?        29.21147 0.8528125 ?        ?         0.000000       0.8528125 
1 1 1 -7  11 12 o 121.9679 0.7238634 7623.591   90.46918 7492.500  182.4000 7752.600   179.5000 120.8712 1.472664  122.9550 1.424688  -2.083847      2.049018  
1 1 1 -7  11 13 o 109.5829 0.6758780 6153.826   75.89437 6183.100  156.9000 6126.400   147.0000 109.8057 1.394439  109.3067 1.312418  0.4990616      1.914916  
1 1 1 -7  11 14 o 71.58908 0.4744412 2626.092   34.80387 2451.500  66.60000 2817.200   72.90000 69.15722 0.9398062 74.13553 0.9596276 -4.978310      1.343176  
1 1 1 -7  11 15 o 67.94947 0.4522362 2365.852   31.48834 2312.100  60.90000 2423.400   65.20000 67.16283 0.8848915 68.75903 0.9253787 -1.596199      1.280374  
1 1 1 -7  11 16 o 74.67326 0.5061065 2857.337   38.72624 3095.700  80.30000 2635.300   74.80000 77.70886 1.008432  71.69746 1.018121  6.011406       1.433006  
1 1 1 -7  11 17 o 54.56773 0.4037960 1525.749   22.57856 1503.600  43.20000 1550.000   47.30000 54.16295 0.7783646 54.99067 0.8394093 -0.8277206     1.144753  
1 1 1 -7  11 18 o 50.39178 0.9334455 1301.800   48.20000 1301.800  48.20000 ?          ?        50.39178 0.9334455 ?        ?         0.000000       0.9334455 
1 1 1 -7  11 19 o 109.6294 0.6613744 6159.780   74.29727 6230.400  147.7000 6088.300   149.5000 110.2034 1.307938  108.9360 1.339280  1.267365       1.871997  
1 1 1 -7  11 20 o 113.5054 0.6935403 6603.549   80.66524 7009.000  177.3000 6265.100   148.0000 116.8536 1.480704  110.5011 1.307063  6.352493       1.975069  
1 1 1 -7  11 21 o 21.76208 0.3921772 242.6797   8.745428 235.4000  17.10000 250.3000   17.90000 21.41430 0.7805866 22.08189 0.7923610 -0.6675835     1.112273  
1 1 1 -7  11 22 o 17.55833 0.5420638 158.1588   9.741177 141.5000  18.40000 176.9000   20.70000 16.57174 1.089601  18.53664 1.094659  -1.964899      1.544509  
1 1 1 -7  11 23 o 8.231305 1.235707  35.55355   10.10122 19.00000  18.20000 56.20000   22.70000 6.436090 2.245593  10.24449 2.226149  -3.808402      3.162029  
1 1 1 -7  11 24 o 80.29839 0.5263277 3304.949   43.30733 3287.300  88.40000 3321.900   84.90000 80.02991 1.077957  80.45618 1.029793  -0.4262619     1.490794  
1 1 1 -7  11 25 o 28.33572 0.3289053 411.4500   9.550000 433.2000  19.10000 389.7000   19.10000 29.06749 0.6412502 27.56839 0.6761197 1.499096       0.9318475 
1 1 1 -7  12 1  o 94.91267 1.245150  0.000000   0.000000 ?         ?        4619.100   121.1000 ?        ?         94.91267 1.245150  0.000000       1.245150  
1 1 1 -7  12 2  o 137.4427 1.278773  0.000000   0.000000 ?         ?        9686.500   180.1000 ?        ?         137.4427 1.278773  0.000000       1.278773  
1 1 1 -7  12 3  o 23.71166 0.5972463 0.000000   0.000000 ?         ?        288.3000   14.50000 ?        ?         23.71166 0.5972463 0.000000       0.5972463 
1 1 1 -7  12 4  o 43.36014 0.5131517 0.000000   0.000000 ?         ?        963.4000   22.80000 ?        ?         43.36014 0.5131517 0.000000       0.5131517 
1 1 1 -7  12 5  o 118.6114 1.141174  0.000000   0.000000 ?         ?        7212.800   138.7000 ?        ?         118.6114 1.141174  0.000000       1.141174  
1 1 1 -7  12 6  o 124.2204 1.186275  0.000000   0.000000 ?         ?        7911.600   151.0000 ?        ?         124.2204 1.186275  0.000000       1.186275  
1 1 1 -7  12 7  o 46.90673 0.3851181 1127.385   18.51090 1231.500  55.80000 1075.700   27.70000 49.01107 1.111070  45.81653 0.5900097 3.194542       1.258010  
1 1 1 -7  12 8  o 67.61916 0.4644425 2342.922   32.18104 2300.700  90.30000 2366.300   50.00000 66.98018 1.315658  67.95029 0.7180924 -0.9701080     1.498871  
1 1 1 -7  12 9  o 56.01846 0.4680687 1607.989   26.86823 1571.500  65.00000 1633.700   45.80000 55.36249 1.145775  56.45817 0.7916629 -1.095684      1.392670  
1 1 1 -7  12 10 o 100.0550 0.7040894 5130.610   72.18800 5222.000  180.5000 5069.700   120.3000 100.8687 1.746315  99.43382 1.180683  1.434860       2.107991  
1 1 1 -7  12 11 o 64.85815 0.4262837 2155.481   28.33099 1985.400  54.00000 2343.200   59.60000 62.23686 0.8467354 67.61225 0.8602457 -5.375393      1.207056  
1 1 1 -7  12 12 o 33.61879 0.3631591 579.1190   12.51058 564.0000  24.20000 595.3000   25.90000 33.17321 0.7119172 34.08083 0.7416368 -0.9076157     1.028033  
1 1 1 -7  12 13 o 2.600609 1.223925  -9.262500  8.389286 5.600000  17.40000 -23.10000  16.20000 5.192862 2.103487  3.398787 1.628115  1.794074       2.659966  
1 1 1 -7  12 14 o 58.88724 0.4242227 1776.914   25.59844 1734.600  49.00000 1823.200   53.60000 58.17162 0.8220280 59.63678 0.8771063 -1.465160      1.202100  
1 1 1 -7  12 15 o 34.11364 0.3259521 596.2932   11.39410 555.6000  21.30000 643.1000   24.50000 32.92536 0.6313215 35.42250 0.6749762 -2.497143      0.9242076 
1 1 1 -7  12 16 o 45.34489 0.3606702 1053.591   16.75857 1072.000  34.60000 1036.300   32.50000 45.73141 0.7383513 44.96438 0.7053689 0.7670326      1.021131  
1 1 1 -7  12 17 o 25.41794 0.3502147 331.0534   9.121644 322.9000  18.60000 338.9000   17.90000 25.08791 0.7242773 25.70440 0.6801881 -0.6164875     0.9935962 
1 1 1 -7  12 18 o 55.42629 0.3874823 1574.226   22.00727 1591.400  45.30000 1558.000   42.80000 55.71404 0.7934786 55.12785 0.7576599 0.5861816      1.097113  
1 1 1 -7  12 19 o 46.20259 0.3637645 1093.879   17.22206 1114.900  34.90000 1073.400   34.00000 46.63333 0.7303494 45.75739 0.7251357 0.8759422      1.029190  
1 1 1 -7  12 20 o 7.376892 1.050282  28.48220   7.715210 28.00000  14.90000 29.00000   16.00000 7.253537 1.958976  7.392193 2.043834  -0.1386566     2.831050  
1 1 1 -7  12 21 o 46.84146 0.3586390 1124.383   17.21418 1256.800  36.60000 1006.800   32.50000 49.50818 0.7214492 44.31168 0.7157590 5.196507       1.016268  
1 1 1 -7  12 22 o 33.91211 0.3341855 589.3323   11.61290 633.1000  24.00000 548.3000   22.50000 35.13894 0.6665370 32.70086 0.6714675 2.438076       0.9461185 
1 1 1 -7  12 23 o 14.61164 0.4829647 109.5539   7.221306 94.70000  13.30000 127.2000   15.80000 13.54960 0.9642150 15.71155 0.9863625 -2.161952      1.379355  
1 1 1 -7  13 1  f 47.69300 0.8184780 0.000000   0.000000 ?         ?        1166.000   40.00000 ?        ?         47.69300 0.8184780 0.000000       0.8184780 
1 1 1 -7  13 2  o 47.53117 0.8910722 0.000000   0.000000 ?         ?        1158.200   43.40000 ?        ?         47.53117 0.8910722 0.000000       0.8910722 
1 1 1 -7  13 3  o 70.30524 0.9591620 0.000000   0.000000 ?         ?        2534.200   69.10000 ?        ?         70.30524 0.9591620 0.000000       0.9591620 
1 1 1 -7  13 4  o 40.22541 0.7763385 0.000000   0.000000 ?         ?        829.4000   32.00000 ?        ?         40.22541 0.7763385 0.000000       0.7763385 
1 1 1 -7  13 5  o 36.80182 0.8591666 0.000000   0.000000 ?         ?        694.3000   32.40000 ?        ?         36.80182 0.8591666 0.000000       0.8591666 
1 1 1 -7  13 6  o 136.6864 2.396777  0.000000   0.000000 ?         ?        9614.200   335.7000 ?        ?         136.6864 2.396777  0.000000       2.396777  
1 1 1 -7  13 7  o 100.8264 1.863194  0.000000   0.000000 ?         ?        5222.600   192.5000 ?        ?         100.8264 1.863194  0.000000       1.863194  
1 1 1 -7  13 8  o 63.42866 1.307781  0.000000   0.000000 ?         ?        2064.100   85.00000 ?        ?         63.42866 1.307781  0.000000       1.307781  
1 1 1 -7  13 9  o 62.50251 0.4990683 2001.947   31.96361 1986.200  77.50000 2013.000   54.40000 62.22471 1.215459  62.66271 0.8472106 -0.4380035     1.481589  
1 1 1 -7  13 10 o 36.35515 0.3970066 677.2657   14.78979 765.2000  38.80000 623.1000   23.90000 38.61748 0.9812991 34.86673 0.6689418 3.750755       1.187616  
1 1 1 -7  13 11 o 59.03132 0.5719107 1785.920   34.59466 1678.400  67.20000 1900.000   71.30000 57.20119 1.146478  60.86051 1.143288  -3.659317      1.619111  
1 1 1 -7  13 12 o 20.20135 0.5717564 209.3212   11.82368 164.5000  23.40000 255.1000   23.90000 17.85801 1.287387  22.27719 1.049936  -4.419184      1.661243  
1 1 1 -7  13 13 o 31.15322 0.4075727 497.3348   13.01087 484.2000  34.20000 505.4000   21.00000 30.70366 1.088743  31.40058 0.6526543 -0.6969166     1.269378  
1 1 1 -7  13 14 o 59.86763 0.4039091 1836.675   24.77845 1780.900  47.50000 1897.500   51.80000 58.93647 0.7865225 60.83277 0.8309862 -1.896301      1.144183  
1 1 1 -7  13 15 o 50.01561 0.4161044 1281.958   21.32585 1247.900  44.80000 1312.900   40.70000 49.32779 0.8863148 50.60153 0.7849326 -1.273746      1.183923  
1 1 1 -7  13 16 o 48.05224 0.3617871 1183.243   17.81415 1111.700  34.10000 1261.500   37.30000 46.56469 0.7146596 49.60189 0.7338583 -3.037205      1.024347  
1 1 1 -7  13 17 o 74.15575 0.4749667 2818.422   36.09162 2800.300  73.30000 2836.000   71.10000 73.87726 0.9682664 74.35042 0.9332281 -0.4731598     1.344788  
1 1 1 -7  13 18 o 51.63919 0.3720831 1366.557   19.68873 1459.300  41.70000 1283.600   37.30000 53.34295 0.7628878 50.03093 0.7275651 3.312012       1.054205  
1 1 1 -7  13 19 o 42.65294 0.3443072 932.3087   15.04851 921.3000  30.40000 943.1000   29.80000 42.38609 0.6999255 42.88580 0.6781165 -0.4997101     0.9745448 
1 1 1 -7  13 20 o 66.04234 0.4392907 2235.510   29.72849 2233.200  61.10000 2237.700   57.90000 65.96806 0.9038767 66.03996 0.8556053 -0.7189941E-01 1.244610  
1 1 1 -7  14 1  o 71.38674 1.014350  0.000000   0.000000 ?         ?        2614.400   74.20000 ?        ?         71.38674 1.014350  0.000000       1.014350  
1 1 1 -7  14 2  o 73.68523 1.029064  0.000000   0.000000 ?         ?        2785.500   77.70000 ?        ?         73.68523 1.029064  0.000000       1.029064  
1 1 1 -7  14 3  o 12.36811 1.422469  0.000000   0.000000 ?         ?        79.60000   17.70000 ?        ?         12.36811 1.422469  0.000000       1.422469  
1 1 1 -7  14 4  o 41.94000 0.7283121 0.000000   0.000000 ?         ?        901.8000   31.30000 ?        ?         41.94000 0.7283121 0.000000       0.7283121 
1 1 1 -7  14 5  o 91.30700 1.241949  0.000000   0.000000 ?         ?        4279.700   116.2000 ?        ?         91.30700 1.241949  0.000000       1.241949  
1 1 1 -7  14 6  o 60.68932 0.8667186 0.000000   0.000000 ?         ?        1888.900   53.90000 ?        ?         60.68932 0.8667186 0.000000       0.8667186 
1 1 1 -7  14 7  o 89.82867 1.353645  0.000000   0.000000 ?         ?        4144.200   124.6000 ?        ?         89.82867 1.353645  0.000000       1.353645  
1 1 1 -7  14 8  o 44.78593 1.115655  0.000000   0.000000 ?         ?        1029.400   51.20000 ?        ?         44.78593 1.115655  0.000000       1.115655  
1 1 1 -7  14 9  o 34.43911 1.055372  0.000000   0.000000 ?         ?        609.2000   37.20000 ?        ?         34.43911 1.055372  0.000000       1.055372  
1 1 1 -7  14 10 o 9.942206 2.369794  0.000000   0.000000 ?         ?        53.10000   23.80000 ?        ?         9.942206 2.369794  0.000000       2.369794  
1 1 1 -7  14 11 o 33.01292 0.5084431 558.6115   17.19985 614.0000  34.30000 502.9000   34.50000 34.57924 0.9689662 31.28318 1.077852  3.296055       1.449365  
1 1 1 -7  14 12 o 30.20046 0.4733016 467.4719   14.64704 436.5000  26.80000 504.8000   32.30000 29.15511 0.8981314 31.34662 1.006879  -2.191507      1.349239  
1 1 1 -7  14 13 o 41.48630 0.4823374 882.1750   20.50473 860.1000  38.10000 907.9000   44.40000 40.94273 0.9081336 42.05634 1.030275  -1.113609      1.373380  
1 1 1 -7  14 14 o 5.762508 1.522019  17.69781   9.119452 7.400000  18.70000 27.50000   17.80000 5.472054 2.193251  7.271045 2.200937  -1.798991      3.107165  
1 1 1 -7  14 15 o 52.35810 0.5531943 1405.394   29.67973 1263.300  54.00000 1578.800   65.90000 49.60057 1.062451  55.43760 1.160066  -5.837025      1.573071  
1 1 1 -7  14 16 o 11.80105 0.8787230 71.86018   10.54976 59.10000  21.20000 84.50000   21.00000 10.51977 2.040310  12.70173 1.652607  -2.181961      2.625638  
1 1 1 -7  15 1  o 25.81756 1.106311  0.000000   0.000000 ?         ?        343.0000   29.20000 ?        ?         25.81756 1.106311  0.000000       1.106311  
1 1 1 -7  15 2  o 35.21388 0.7177736 0.000000   0.000000 ?         ?        636.0000   25.90000 ?        ?         35.21388 0.7177736 0.000000       0.7177736 
1 1 1 -7  15 3  o 38.60577 0.7532961 0.000000   0.000000 ?         ?        764.5000   29.80000 ?        ?         38.60577 0.7532961 0.000000       0.7532961 
1 1 1 -7  15 4  f 88.34801 1.110123  0.000000   0.000000 ?         ?        4009.200   100.5000 ?        ?         88.34801 1.110123  0.000000       1.110123  
1 1 1 -7  15 5  o 60.25527 0.9280283 0.000000   0.000000 ?         ?        1863.500   57.30000 ?        ?         60.25527 0.9280283 0.000000       0.9280283 
1 1 1 -7  15 6  o 26.57516 0.7204148 0.000000   0.000000 ?         ?        362.5000   19.60000 ?        ?         26.57516 0.7204148 0.000000       0.7204148 
1 1 1 -7  15 7  o 21.69217 0.8926737 0.000000   0.000000 ?         ?        241.9000   19.80000 ?        ?         21.69217 0.8926737 0.000000       0.8926737 
1 1 1 -7  15 8  o 27.41772 0.7481622 0.000000   0.000000 ?         ?        385.9000   21.00000 ?        ?         27.41772 0.7481622 0.000000       0.7481622 
1 1 1 -7  15 9  o 73.11579 0.9943671 0.000000   0.000000 ?         ?        2744.900   74.50000 ?        ?         73.11579 0.9943671 0.000000       0.9943671 
1 1 1 -7  15 10 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -6  0  1  o 54.23447 0.8119367 1508.100   45.10000 1508.100  45.10000 1508.100   45.10000 54.23447 0.8119367 54.23447 0.8119367 0.000000       0.000000  
1 1 1 -6  0  2  o 412.1706 4.582042  87199.50   1934.700 87199.50  1934.700 87199.50   1934.700 412.1706 4.582042  412.1706 4.582042  0.000000       0.000000  
1 1 1 -6  0  3  o 73.06384 0.9620582 2736.700   72.00000 2736.700  72.00000 2736.700   72.00000 73.06384 0.9620582 73.06384 0.9620582 0.000000       0.000000  
1 1 1 -6  0  4  o 59.09560 1.181802  1791.600   71.50000 1791.600  71.50000 1791.600   71.50000 59.09560 1.181802  59.09560 1.181802  0.000000       0.000000  
1 1 1 -6  0  5  o 286.2551 4.613942  42075.70   1352.600 42075.70  1352.600 42075.70   1352.600 286.2551 4.613942  286.2551 4.613942  0.000000       0.000000  
1 1 1 -6  0  6  o 22.42070 0.7812757 258.5000   17.90000 258.5000  17.90000 258.5000   17.90000 22.42070 0.7812757 22.42070 0.7812757 0.000000       0.000000  
1 1 1 -6  0  7  o 9.345760 1.304961  47.30000   11.80000 47.30000  11.80000 47.30000   11.80000 9.345760 1.304961  9.345760 1.304961  0.000000       0.000000  
1 1 1 -6  0  8  o 261.0089 4.178415  34962.70   1116.900 34962.70  1116.900 34962.70   1116.900 261.0089 4.178415  261.0089 4.178415  0.000000       0.000000  
1 1 1 -6  0  9  o 128.9455 2.410874  8530.000   318.3000 8530.000  318.3000 8530.000   318.3000 128.9455 2.410874  128.9455 2.410874  0.000000       0.000000  
1 1 1 -6  0  10 o 145.6622 2.412040  10882.20   359.8000 10882.20  359.8000 10882.20   359.8000 145.6622 2.412040  145.6622 2.412040  0.000000       0.000000  
1 1 1 -6  0  11 o 50.14679 1.149545  1290.500   59.00000 1290.500  59.00000 1290.500   59.00000 50.14679 1.149545  50.14679 1.149545  0.000000       0.000000  
1 1 1 -6  0  12 o 75.98705 1.538715  2962.200   119.7000 2962.200  119.7000 2962.200   119.7000 75.98705 1.538715  75.98705 1.538715  0.000000       0.000000  
1 1 1 -6  0  13 o 478.5367 7.553823  117633.0   3702.000 117633.0  3702.000 117633.0   3702.000 478.5367 7.553823  478.5367 7.553823  0.000000       0.000000  
1 1 1 -6  0  14 o 201.0364 3.388533  20732.80   697.6000 20732.80  697.6000 20732.80   697.6000 201.0364 3.388533  201.0364 3.388533  0.000000       0.000000  
1 1 1 -6  0  15 o 71.73040 1.469370  2639.700   107.9000 2639.700  107.9000 2639.700   107.9000 71.73040 1.469370  71.73040 1.469370  0.000000       0.000000  
1 1 1 -6  0  16 o 25.44754 1.300153  334.4000   33.70000 334.4000  33.70000 334.4000   33.70000 25.44754 1.300153  25.44754 1.300153  0.000000       0.000000  
1 1 1 -6  0  17 o 169.7072 2.096182  14765.50   364.4000 14765.50  364.4000 14765.50   364.4000 169.7072 2.096182  169.7072 2.096182  0.000000       0.000000  
1 1 1 -6  0  18 o 505.2990 5.602366  131061.0   2900.000 131061.0  2900.000 131061.0   2900.000 505.2990 5.602366  505.2990 5.602366  0.000000       0.000000  
1 1 1 -6  0  19 o 25.76641 0.8199731 341.2000   21.60000 341.2000  21.60000 341.2000   21.60000 25.76641 0.8199731 25.76641 0.8199731 0.000000       0.000000  
1 1 1 -6  0  20 o 92.68638 1.254518  4404.400   119.1000 4404.400  119.1000 4404.400   119.1000 92.68638 1.254518  92.68638 1.254518  0.000000       0.000000  
1 1 1 -6  0  21 o 74.24656 1.095427  2826.500   83.30000 2826.500  83.30000 2826.500   83.30000 74.24656 1.095427  74.24656 1.095427  0.000000       0.000000  
1 1 1 -6  0  22 o 29.75923 0.8904936 455.0000   27.10000 455.0000  27.10000 455.0000   27.10000 29.75923 0.8904936 29.75923 0.8904936 0.000000       0.000000  
1 1 1 -6  0  23 o 65.33346 1.013284  2188.800   67.80000 2188.800  67.80000 2188.800   67.80000 65.33346 1.013284  65.33346 1.013284  0.000000       0.000000  
1 1 1 -6  0  24 o 158.9362 1.979047  12954.80   322.2000 12954.80  322.2000 12954.80   322.2000 158.9362 1.979047  158.9362 1.979047  0.000000       0.000000  
1 1 1 -6  0  25 o 146.5481 1.850588  11013.80   277.8000 11013.80  277.8000 11013.80   277.8000 146.5481 1.850588  146.5481 1.850588  0.000000       0.000000  
1 1 1 -6  0  26 o 79.00724 1.148040  3200.800   92.90000 3200.800  92.90000 3200.800   92.90000 79.00724 1.148040  79.00724 1.148040  0.000000       0.000000  
1 1 1 -6  0  27 o 277.1761 3.225718  39440.10   915.9000 39440.10  915.9000 39440.10   915.9000 277.1761 3.225718  277.1761 3.225718  0.000000       0.000000  
1 1 1 -6  0  28 o 48.86316 1.248088  1226.000   62.40000 1226.000  62.40000 1226.000   62.40000 48.86316 1.248088  48.86316 1.248088  0.000000       0.000000  
1 1 1 -6  0  29 o 11.63076 2.258250  76.70000   24.00000 76.70000  24.00000 76.70000   24.00000 11.63076 2.258250  11.63076 2.258250  0.000000       0.000000  
1 1 1 -6  0  30 o 10.67980 2.716461  68.70000   25.70000 68.70000  25.70000 68.70000   25.70000 10.67980 2.716461  10.67980 2.716461  0.000000       0.000000  
1 1 1 -6  0  31 o 36.75946 1.176153  694.7000   44.20000 694.7000  44.20000 694.7000   44.20000 36.75946 1.176153  36.75946 1.176153  0.000000       0.000000  
1 1 1 -6  0  32 f 115.3038 2.117525  6828.600   250.0000 6828.600  250.0000 6828.600   250.0000 115.3038 2.117525  115.3038 2.117525  0.000000       0.000000  
1 1 1 -6  0  33 o 62.90075 1.516233  2032.600   97.60000 2032.600  97.60000 2032.600   97.60000 62.90075 1.516233  62.90075 1.516233  0.000000       0.000000  
1 1 1 -6  0  34 o 41.81747 1.103239  898.4000   47.20000 898.4000  47.20000 898.4000   47.20000 41.81747 1.103239  41.81747 1.103239  0.000000       0.000000  
1 1 1 -6  0  35 o 99.47231 1.806510  5085.400   184.0000 5085.400  184.0000 5085.400   184.0000 99.47231 1.806510  99.47231 1.806510  0.000000       0.000000  
1 1 1 -6  1  1  o 196.3053 1.324217  19748.32   266.3726 19039.20  441.6000 20826.30   671.3000 192.7085 2.236299  201.4779 3.251553  -8.769440      3.946344  
1 1 1 -6  1  2  o 115.2186 0.8155529 6802.232   96.28818 6462.400  157.0000 7341.200   249.0000 112.2947 1.364401  119.6688 2.030580  -7.374084      2.446394  
1 1 1 -6  1  3  o 166.7262 1.141455  14244.65   195.0118 13789.20  323.8000 14934.30   490.3000 164.0127 1.926641  170.6397 2.804035  -6.626938      3.402141  
1 1 1 -6  1  4  o 80.17183 0.6033314 3293.313   49.56511 3314.400  85.10000 3263.900   118.7000 80.42436 1.032627  79.80382 1.451539  0.6205444      1.781371  
1 1 1 -6  1  5  o 175.5558 1.214815  15793.60   218.5364 15880.50  376.8000 15673.60   520.3000 176.0055 2.089230  174.8096 2.904626  1.195969       3.577951  
1 1 1 -6  1  6  o 119.1943 0.8576775 7279.787   104.7558 7470.700  187.3000 7037.500   237.7000 120.7357 1.513923  117.1713 1.979747  3.564430       2.492260  
1 1 1 -6  1  7  o 15.56006 0.3574912 124.0500   5.700000 198.3000  11.40000 49.80000   11.40000 19.66480 0.5663301 9.789937 1.158831  9.874860       1.289813  
1 1 1 -6  1  8  o 294.7250 2.404149  44529.60   726.0670 43544.40  1447.300 45521.40   1457.000 291.1929 4.850420  297.7404 4.775550  -6.547485      6.806795  
1 1 1 -6  1  9  o 316.3988 2.539631  51318.81   823.3867 50692.40  1612.900 51972.10   1682.100 314.2128 5.009395  318.1334 5.159934  -3.920654      7.191589  
1 1 1 -6  1  10 o 372.0360 2.946278  70960.88   1123.200 70606.50  2246.300 71315.30   2246.500 370.7433 5.912838  372.6043 5.883831  -1.860962      8.341530  
1 1 1 -6  1  11 o 68.39721 0.6612059 2396.944   46.34186 2719.700  106.4000 2147.900   82.10000 72.85287 1.425268  64.74413 1.237497  8.108734       1.887535  
1 1 1 -6  1  12 o 124.8679 1.104325  7989.212   141.3013 7821.000  270.7000 8172.900   295.6000 123.5329 2.138489  126.2789 2.284417  -2.745926      3.129169  
1 1 1 -6  1  13 o 87.63692 0.6861594 3935.103   61.61841 4443.100  160.8000 3619.500   99.90000 93.11470 1.685270  84.04675 1.159969  9.067955       2.045889  
1 1 1 -6  1  14 o 106.6074 0.8014348 5823.211   87.54955 6324.000  224.3000 5502.600   143.6000 111.0844 1.970506  103.6268 1.352334  7.457611       2.389916  
1 1 1 -6  1  15 o 217.1316 1.480361  24159.26   329.3739 25510.30  832.5000 23274.80   545.0000 223.0305 3.642685  213.0887 2.495960  9.941772       4.415764  
1 1 1 -6  1  16 o 204.8989 1.407716  21513.67   295.5651 21528.30  716.5000 21503.40   503.1000 204.8915 3.412667  204.8200 2.397086  0.7153320E-01  4.170410  
1 1 1 -6  1  17 o 237.5803 1.634350  28926.04   397.8817 28810.90  954.1000 29008.40   682.5000 236.9772 3.929063  237.8655 2.800095  -0.8883362     4.824735  
1 1 1 -6  1  18 o 121.7366 0.8963020 7593.555   111.8083 7837.600  265.4000 7415.900   193.2000 123.6556 2.094540  120.2944 1.567340  3.361244       2.616037  
1 1 1 -6  1  19 o 245.8327 1.686723  30973.86   424.8953 32221.50  1057.900 30136.40   710.1000 250.5235 4.120954  242.4095 2.858720  8.114044       5.015430  
1 1 1 -6  1  20 o 172.1666 3.737675  15217.40   659.4000 15217.40  659.4000 ?          ?        172.1666 3.737675  ?        ?         0.000000       3.737675  
1 1 1 -6  1  21 o 79.55318 0.5829808 3242.719   47.52369 3447.400  101.2000 3061.500   89.60000 82.01745 1.204137  77.29192 1.131294  4.725533       1.652202  
1 1 1 -6  1  22 o 41.08771 0.4061184 864.9828   17.09869 801.8000  31.50000 940.0000   37.40000 39.55678 0.7771256 42.82981 0.8521716 -3.273033      1.153309  
1 1 1 -6  1  23 o 87.65855 0.6154028 3937.284   55.27797 3689.200  105.6000 4209.800   116.0000 84.84076 1.214677  90.62849 1.249093  -5.787727      1.742319  
1 1 1 -6  1  24 o 188.9172 1.355909  18294.25   262.4826 17866.70  629.9000 18599.70   450.0000 186.4823 3.296368  190.4034 2.306426  -3.921066      4.023138  
1 1 1 -6  1  25 o 148.6660 1.078810  11327.37   164.3444 11637.60  414.3000 11123.40   272.4000 150.5641 2.685314  147.2794 1.804956  3.284729       3.235549  
1 1 1 -6  1  26 o 8.931132 1.121285  41.52530   10.03614 63.90000  24.50000 26.00000   17.00000 10.95930 2.256847  7.102424 2.151123  3.856878       3.117802  
1 1 1 -6  1  27 o 123.1991 0.9307164 7778.542   117.4960 7918.600  293.8000 7685.200   195.8000 124.2186 2.308166  122.4283 1.560748  1.790298       2.786317  
1 1 1 -6  1  28 o 38.21260 0.6171209 748.2319   24.16435 810.0000  71.50000 716.7000   36.50000 39.70174 1.761900  37.38334 0.9536108 2.318401       2.003413  
1 1 1 -6  1  29 o 8.192214 1.325986  35.28797   10.75099 59.40000  28.40000 20.60000   17.30000 10.54757 2.635367  6.544822 2.191770  4.002748       3.427683  
1 1 1 -6  1  30 o 94.83108 0.8081249 4608.910   78.52854 4260.300  183.1000 4870.700   137.5000 91.10832 1.961245  97.45974 1.376826  -6.351418      2.396275  
1 1 1 -6  1  31 o 27.99403 0.5201113 401.5721   14.91970 304.4000  33.50000 479.6000   26.90000 24.32523 1.349256  30.57710 0.8593865 -6.251875      1.599699  
1 1 1 -6  1  32 o 50.51789 0.5063954 1307.776   26.21400 1197.200  42.20000 1489.100   69.20000 48.32743 0.8521585 53.88272 1.253309  -5.555298      1.515572  
1 1 1 -6  1  33 f 72.57626 0.6339232 2699.648   47.14434 2898.400  81.10000 2423.700   112.6000 75.17764 1.052771  68.70359 1.599413  6.474045       1.914797  
1 1 1 -6  1  34 o 83.23602 0.6545328 3551.348   55.82658 3468.600  93.80000 3673.000   137.9000 82.22435 1.113279  84.55298 1.591611  -2.328629      1.942322  
1 1 1 -6  1  35 o 27.83686 0.5339419 397.1668   15.23044 474.9000  32.20000 327.4000   28.90000 30.40594 1.034982  25.23298 1.120509  5.172956       1.525361  
1 1 1 -6  2  1  o 126.1456 0.8678524 8153.587   112.1803 8415.500  198.6000 7813.600   257.8000 128.1449 1.512445  123.4647 2.037708  4.680244       2.537664  
1 1 1 -6  2  2  o 127.1887 0.8800038 8289.028   114.6915 8504.800  201.0000 8002.300   267.1000 128.8221 1.522676  124.9439 2.086221  3.878151       2.582800  
1 1 1 -6  2  3  o 61.54309 0.4753003 1940.610   29.97408 1770.100  48.30000 2219.500   79.00000 58.77579 0.8019555 65.81257 1.171440  -7.036774      1.419649  
1 1 1 -6  2  4  o 213.8226 1.442508  23430.36   316.0604 23333.60  549.6000 23561.30   743.8000 213.3290 2.514192  214.3044 3.387090  -0.9753571     4.218239  
1 1 1 -6  2  5  o 284.4737 1.904649  41478.70   555.2077 41286.60  956.9000 41744.20   1322.600 283.7024 3.291586  285.1197 4.526921  -1.417358      5.597102  
1 1 1 -6  2  6  o 212.3492 1.433346  23107.93   311.8890 22392.90  518.5000 24187.30   782.7000 208.9973 2.421083  217.1374 3.517729  -8.140060      4.270370  
1 1 1 -6  2  7  f 168.4594 1.147865  14541.61   198.1457 15003.20  348.6000 13933.70   459.1000 171.0912 1.988389  164.8540 2.717750  6.237228       3.367470  
1 1 1 -6  2  8  f 143.3806 0.9985260 10533.80   146.7060 10671.70  255.3000 10347.50   344.9000 144.3041 1.726529  142.0797 2.368989  2.224426       2.931383  
1 1 1 -6  2  9  o 394.1311 2.202204  79617.28   889.3989 79882.50  1776.900 79351.50   1780.700 394.5738 4.394772  393.2571 4.418917  1.316742       6.232243  
1 1 1 -6  2  10 o 320.0608 1.814805  52496.58   595.1973 54194.20  1233.500 50913.60   1150.200 325.0790 3.702984  315.0972 3.562299  9.981812       5.138294  
1 1 1 -6  2  11 o 69.14113 0.4893077 2449.334   34.66705 2347.500  68.30000 2554.300   70.40000 67.68694 0.9847306 70.60548 0.9730517 -2.918533      1.384386  
1 1 1 -6  2  12 o 244.4353 1.649542  30617.77   413.1671 30682.10  977.8000 30570.70   715.5000 244.5917 3.901305  244.2036 2.859296  0.3880615      4.836916  
1 1 1 -6  2  13 o 187.2136 1.307529  17959.49   250.8345 18749.30  625.2000 17430.30   418.9000 191.2305 3.190535  184.4146 2.216750  6.815903       3.885035  
1 1 1 -6  2  14 o 132.4103 0.9575297 8983.395   129.9189 8496.100  297.4000 9361.400   230.7000 128.7498 2.254219  135.1584 1.665736  -6.408615      2.802887  
1 1 1 -6  2  15 o 258.6871 1.727708  34293.87   457.9768 34219.80  1102.500 34346.50   783.4000 258.2666 4.165930  258.8291 2.953739  -0.5625000     5.106814  
1 1 1 -6  2  16 o 195.8241 1.365288  19650.20   273.9611 19655.10  657.6000 19646.70   469.6000 195.7773 3.277940  195.7777 2.340812  -0.3509521E-03 4.027939  
1 1 1 -6  2  17 o 239.5766 1.635683  29414.54   401.5521 29134.00  956.9000 29617.40   691.9000 238.2948 3.918805  240.3446 2.809381  -2.049805      4.821790  
1 1 1 -6  2  18 o 352.2946 2.320150  63625.47   837.5686 65724.60  2066.300 62194.60   1408.500 357.5529 5.639684  348.1203 3.948473  9.432587       6.884510  
1 1 1 -6  2  19 o 59.52209 0.5454472 1815.271   33.26820 1727.300  75.30000 1884.900   59.60000 58.05699 1.265733  60.65045 0.9589895 -2.593460      1.587999  
1 1 1 -6  2  20 o 150.2053 1.120129  11561.76   172.4057 11985.60  429.1000 11277.10   288.2000 152.8591 2.739485  148.3176 1.896283  4.541519       3.331766  
1 1 1 -6  2  21 o 224.3636 2.638466  0.000000   0.000000 ?         ?        25825.50   606.6000 ?        ?         224.3636 2.638466  0.000000       2.638466  
1 1 1 -6  2  22 o 223.5527 2.644982  0.000000   0.000000 ?         ?        25645.60   605.9000 ?        ?         223.5527 2.644982  0.000000       2.644982  
1 1 1 -6  2  23 o 113.0149 1.461918  0.000000   0.000000 ?         ?        6547.400   169.3000 ?        ?         113.0149 1.461918  0.000000       1.461918  
1 1 1 -6  2  24 o 73.15924 1.088485  0.000000   0.000000 ?         ?        2743.100   81.60000 ?        ?         73.15924 1.088485  0.000000       1.088485  
1 1 1 -6  2  25 o 115.5263 0.8885871 6839.506   105.1911 6944.100  260.8000 6768.800   176.3000 116.3419 2.187625  114.9045 1.497328  1.437477       2.650980  
1 1 1 -6  2  26 o 138.8815 1.027655  9885.331   146.2481 9981.700  352.2000 9816.900   250.1000 139.4544 2.464670  138.3583 1.764047  1.096069       3.030918  
1 1 1 -6  2  27 o 84.70668 0.6983469 3676.802   60.61599 3745.100  151.6000 3631.300   101.0000 85.45613 1.731241  84.16924 1.171034  1.286896       2.090100  
1 1 1 -6  2  28 o 70.78249 0.6690355 2567.364   48.52588 2387.400  111.7000 2705.600   85.80000 68.23169 1.597602  72.65199 1.152501  -4.420303      1.969922  
1 1 1 -6  2  29 o 43.16854 0.4204696 954.8478   18.59946 945.2000  37.00000 964.6000   37.40000 42.94529 0.8407906 43.38377 0.8412905 -0.4384766     1.189411  
1 1 1 -6  2  30 o 180.7706 1.129005  16752.69   209.1327 16945.80  424.3000 16565.00   412.4000 181.6420 2.279599  179.5968 2.240896  2.045135       3.196589  
1 1 1 -6  2  31 o 82.11756 0.5876420 3455.627   49.44783 3277.500  94.60000 3650.700   103.6000 79.95039 1.154708  84.37709 1.198221  -4.426697      1.664056  
1 1 1 -6  2  32 o 49.26437 0.4375425 1243.636   22.08775 1374.100  48.30000 1133.700   40.70000 51.77232 0.9104396 47.02787 0.8445799 4.744453       1.241860  
1 1 1 -6  2  33 o 68.43204 0.5148089 2399.899   36.09973 2364.000  72.40000 2435.600   72.00000 67.89284 1.040678  68.91470 1.019582  -1.021858      1.456900  
1 1 1 -6  2  34 o 31.70560 0.5570078 515.2235   18.09655 586.9000  36.70000 445.5000   35.70000 33.80678 1.060722  29.44002 1.185827  4.366762       1.591011  
1 1 1 -6  2  35 o 51.87442 0.6708549 1379.572   35.65990 1281.400  68.40000 1486.500   74.50000 49.93070 1.338079  53.77917 1.352972  -3.848473      1.902889  
1 1 1 -6  3  1  o 85.94980 0.5965878 3785.044   52.54333 3655.500  88.70000 3973.300   128.9000 84.46372 1.024837  88.05511 1.428565  -3.591393      1.758149  
1 1 1 -6  3  2  o 273.4593 1.773936  38324.06   497.0832 39251.60  875.7000 37106.30   1149.700 276.6724 3.088809  268.9143 4.172269  7.758148       5.191201  
1 1 1 -6  3  3  o 187.1239 1.239960  17942.60   237.7582 17316.00  394.2000 18894.90   599.1000 183.8047 2.092964  191.9607 3.045710  -8.156036      3.695517  
1 1 1 -6  3  4  f 271.2065 1.767556  37695.17   491.2152 37999.50  851.2000 37279.90   1161.500 272.2265 3.051426  269.5394 4.205316  2.687164       5.195756  
1 1 1 -6  3  5  o 149.4280 1.020296  11441.16   156.2272 11169.80  265.2000 11830.20   380.2000 147.6328 1.753042  151.9162 2.442360  -4.283340      3.006373  
1 1 1 -6  3  6  o 73.02415 0.4909955 2732.183   36.74027 2527.500  67.80000 2974.300   80.20000 70.23380 0.9420744 76.18861 1.027273  -5.954819      1.393842  
1 1 1 -6  3  7  o 222.5969 1.266533  25389.74   288.8911 24824.10  568.1000 25975.00   587.8000 220.0647 2.519277  225.1070 2.548250  -5.042313      3.583342  
1 1 1 -6  3  8  o 142.6798 0.8462346 10430.74   123.7234 10816.20  258.5000 10076.90   237.3000 145.2806 1.736419  140.2291 1.651434  5.051498       2.396328  
1 1 1 -6  3  9  o 258.6826 1.467324  34289.78   388.9482 33605.40  758.6000 35009.90   798.2000 256.0355 2.891440  261.3266 2.980779  -5.291077      4.152766  
1 1 1 -6  3  10 o 280.3944 3.154309  40307.90   906.3000 40307.90  906.3000 ?          ?        280.3944 3.154309  ?        ?         0.000000       3.154309  
1 1 1 -6  3  11 o 114.8613 0.7350452 6759.764   86.51396 6155.200  157.2000 7499.700   192.4000 109.5995 1.399734  120.9770 1.552043  -11.37753      2.089999  
1 1 1 -6  3  12 o 201.5193 1.181979  20808.66   244.0759 21532.70  506.6000 20135.50   471.0000 204.9638 2.412069  198.2055 2.319032  6.758255       3.346040  
1 1 1 -6  3  13 o 235.3267 1.358009  28377.14   327.4705 28766.10  663.5000 27998.10   646.6000 236.8857 2.733404  233.7036 2.700051  3.182053       3.842105  
1 1 1 -6  3  14 o 132.3896 0.8224576 8980.456   111.5747 9258.700  229.1000 8716.300   217.5000 134.4141 1.663343  130.4181 1.627508  3.996002       2.327121  
1 1 1 -6  3  15 o 60.70345 0.4623410 1888.003   28.75902 2069.700  64.50000 1741.800   51.90000 63.55535 0.9903969 58.30443 0.8686953 5.250919       1.317390  
1 1 1 -6  3  16 o 149.5041 1.039689  11452.93   159.2776 12034.80  401.3000 11070.00   264.1000 153.2174 2.556011  146.9704 1.753639  6.247025       3.099749  
1 1 1 -6  3  17 o 244.8110 2.816325  0.000000   0.000000 ?         ?        30731.70   706.5000 ?        ?         244.8110 2.816325  0.000000       2.816325  
1 1 1 -6  3  18 o 216.0429 2.560755  0.000000   0.000000 ?         ?        23933.30   566.9000 ?        ?         216.0429 2.560755  0.000000       2.560755  
1 1 1 -6  3  19 o 103.5055 1.347319  0.000000   0.000000 ?         ?        5490.500   142.9000 ?        ?         103.5055 1.347319  0.000000       1.347319  
1 1 1 -6  3  20 o 63.66848 1.026956  0.000000   0.000000 ?         ?        2077.300   67.00000 ?        ?         63.66848 1.026956  0.000000       1.026956  
1 1 1 -6  3  21 o 74.11449 1.056022  0.000000   0.000000 ?         ?        2815.000   80.20000 ?        ?         74.11449 1.056022  0.000000       1.056022  
1 1 1 -6  3  22 o 153.8874 1.860624  0.000000   0.000000 ?         ?        12143.40   293.4000 ?        ?         153.8874 1.860624  0.000000       1.860624  
1 1 1 -6  3  23 o 238.2688 2.806415  0.000000   0.000000 ?         ?        29146.10   685.2000 ?        ?         238.2688 2.806415  0.000000       2.806415  
1 1 1 -6  3  24 o 71.65096 1.024230  0.000000   0.000000 ?         ?        2631.100   75.20000 ?        ?         71.65096 1.024230  0.000000       1.024230  
1 1 1 -6  3  25 o 84.76909 1.166201  0.000000   0.000000 ?         ?        3683.100   101.3000 ?        ?         84.76909 1.166201  0.000000       1.166201  
1 1 1 -6  3  26 o 83.00346 0.6726767 3530.373   57.21383 3444.000  136.5000 3592.700   98.50000 81.95455 1.625404  83.72194 1.148150  -1.767387      1.990021  
1 1 1 -6  3  27 f 214.6836 1.484031  23630.90   326.4676 23068.00  766.1000 24048.90   568.9000 211.7548 3.530643  216.4185 2.565330  -4.663742      4.364213  
1 1 1 -6  3  28 o 88.74689 0.6262170 4035.879   56.94772 3857.700  107.5000 4236.600   121.1000 86.74844 1.209340  90.90501 1.300044  -4.156563      1.775561  
1 1 1 -6  3  29 f 90.66030 0.6219434 4211.886   57.77852 3969.000  109.2000 4484.800   122.7000 87.98656 1.211178  93.52568 1.280311  -5.539124      1.762426  
1 1 1 -6  3  30 f 172.5442 1.043214  15262.05   184.4473 15169.20  367.5000 15355.60   370.3000 171.8741 2.086645  172.9263 2.089750  -1.052200      2.953158  
1 1 1 -6  3  31 o 34.77155 0.4193115 619.5328   14.94030 747.1000  33.00000 514.0000   27.30000 38.17760 0.8435425 31.65538 0.8423699 6.522215       1.192120  
1 1 1 -6  3  32 o 20.96377 0.4602824 225.2053   9.887627 276.3000  20.50000 177.6000   19.10000 23.19956 0.8638431 18.58366 1.006766  4.615904       1.326575  
1 1 1 -6  3  33 f 50.51540 0.4585039 1307.700   23.73368 1548.700  50.60000 1094.800   44.70000 54.95695 0.8985236 46.20490 0.9441069 8.752056       1.303335  
1 1 1 -6  3  34 o 92.15878 0.8900291 4355.832   84.05030 4562.700  182.1000 4178.500   156.1000 94.15923 1.887334  90.14734 1.689864  4.011887       2.533311  
1 1 1 -6  3  35 f 99.07490 1.728682  0.000000   0.000000 ?         ?        5050.900   175.5000 ?        ?         99.07490 1.728682  0.000000       1.728682  
1 1 1 -6  4  1  o 184.1760 1.483032  17381.96   279.8864 17505.60  589.5000 17270.20   532.9000 184.7833 3.113313  183.5469 2.833350  1.236328       4.209583  
1 1 1 -6  4  2  o 217.8974 1.215958  24328.56   271.4995 23647.00  527.0000 25052.80   560.0000 214.7924 2.394382  221.0820 2.471931  -6.289612      3.441439  
1 1 1 -6  4  3  o 202.7038 1.147006  21053.84   238.2462 21025.40  474.6000 21082.50   478.4000 202.5397 2.286753  202.8140 2.301944  -0.2743378     3.244716  
1 1 1 -6  4  4  o 155.7935 0.9006801 12436.30   143.7866 12063.60  278.2000 12835.00   297.6000 153.4292 1.769501  158.2573 1.835146  -4.828186      2.549294  
1 1 1 -6  4  5  o 205.1242 1.163441  21559.65   244.5455 21456.20  487.0000 21664.00   491.2000 204.6036 2.322829  205.5917 2.331602  -0.9880981     3.291186  
1 1 1 -6  4  6  o 327.5850 1.820829  54993.63   611.2116 55491.40  1237.300 54507.70   1207.900 328.9528 3.670651  326.0284 3.615573  2.924377       5.152286  
1 1 1 -6  4  7  o 252.9551 1.422242  32787.89   368.6510 32744.30  731.4000 32832.20   743.3000 252.7369 2.824152  253.0739 2.866279  -0.3369904     4.023852  
1 1 1 -6  4  8  o 166.9879 0.9759285 14287.83   166.9942 14854.60  343.6000 13751.90   324.9000 170.2512 1.969539  163.8110 1.935568  6.440231       2.761432  
1 1 1 -6  4  9  f 274.8806 1.566372  38719.42   441.2019 38007.00  863.0000 39464.60   902.7000 272.2742 3.093185  277.4412 3.175222  -5.166992      4.432813  
1 1 1 -6  4  10 o 166.2531 1.004367  14162.46   171.1042 13436.70  334.3000 14923.40   350.5000 161.9199 2.014827  170.6429 2.004478  -8.723068      2.842088  
1 1 1 -6  4  11 o 346.0523 1.929793  61371.90   684.3068 61198.00  1361.600 61547.60   1375.700 345.4226 3.846807  346.4051 3.875619  -0.9824524     5.460618  
1 1 1 -6  4  12 o 34.42028 0.3712810 607.0182   13.09530 755.9000  29.90000 491.0000   23.30000 38.40949 0.7596862 30.95621 0.7345304 7.453281       1.056720  
1 1 1 -6  4  13 o 143.6492 1.028719  10573.32   151.4253 11009.60  392.6000 10299.40   246.5000 146.5493 2.614377  141.7660 1.696862  4.783264       3.116779  
1 1 1 -6  4  14 o 301.3349 1.998301  46538.79   617.0333 48000.00  1550.500 45572.90   1024.900 305.7618 4.948689  298.0991 3.355231  7.662689       5.978888  
1 1 1 -6  4  15 o 102.6914 0.7665078 5403.318   80.65833 5064.700  186.2000 5662.100   142.3000 99.40892 1.827915  105.1161 1.321104  -5.707222      2.255347  
1 1 1 -6  4  16 o 230.5320 1.569706  27236.14   370.8069 26212.30  869.0000 27998.20   646.8000 226.0166 3.752158  233.6742 2.701226  -7.657623      4.623344  
1 1 1 -6  4  17 o 61.59485 0.5585874 1943.902   35.25607 1976.200  91.90000 1923.800   57.20000 62.09742 1.444254  61.27352 0.9110136 0.8239059      1.707576  
1 1 1 -6  4  18 o 23.47215 0.4670958 282.2854   11.23459 189.6000  23.90000 364.5000   21.20000 19.19596 1.221372  26.66003 0.7768555 -7.464073      1.447499  
1 1 1 -6  4  19 o 69.49816 0.5806927 2474.806   41.35405 2273.800  93.90000 2633.000   73.90000 66.60678 1.375779  71.68065 1.006107  -5.073868      1.704412  
1 1 1 -6  4  20 o 133.6822 0.9801979 9158.076   134.2721 8725.800  323.2000 9465.300   229.7000 130.4212 2.418380  135.8805 1.649701  -5.459290      2.927470  
1 1 1 -6  4  21 o 181.2977 2.192420  0.000000   0.000000 ?         ?        16860.10   407.3000 ?        ?         181.2977 2.192420  0.000000       2.192420  
1 1 1 -6  4  22 o 151.8587 1.850778  0.000000   0.000000 ?         ?        11825.80   288.0000 ?        ?         151.8587 1.850778  0.000000       1.850778  
1 1 1 -6  4  23 o 123.3790 0.9067368 7800.975   114.6360 8157.900  286.5000 7562.900   191.1000 126.0994 2.217242  121.4563 1.535474  4.643135       2.697006  
1 1 1 -6  4  24 o 70.88166 0.6138362 2574.441   44.58458 3028.800  120.7000 2308.300   70.70000 76.86087 1.532511  67.11140 1.028075  9.749474       1.845407  
1 1 1 -6  4  25 o 89.17032 0.7076236 4074.506   64.65781 3909.000  148.2000 4202.600   114.7000 87.31083 1.656463  90.54704 1.236206  -3.236214      2.066900  
1 1 1 -6  4  26 o 80.14828 0.6517866 3291.672   53.53009 3521.500  139.4000 3148.400   86.90000 82.86859 1.641627  78.37514 1.082039  4.493454       1.966150  
1 1 1 -6  4  27 o 93.33186 0.7571776 4463.935   72.41459 4450.800  172.9000 4473.400   124.6000 93.14909 1.811415  93.41192 1.301719  -0.2628326     2.230627  
1 1 1 -6  4  28 o 62.64280 0.5557542 2010.790   35.67404 2105.800  90.00000 1948.400   59.10000 64.08470 1.370534  61.65604 0.9354346 2.428658       1.659338  
1 1 1 -6  4  29 o 75.27649 0.6388146 2903.839   49.27567 3063.700  122.8000 2796.700   82.30000 77.28365 1.550645  73.86099 1.087392  3.422653       1.893917  
1 1 1 -6  4  30 o 21.95597 0.5407251 247.0289   12.16543 228.2000  31.30000 259.0000   19.90000 21.04085 1.460790  22.46199 0.8662060 -1.421141      1.698299  
1 1 1 -6  4  31 o 57.91484 0.5192623 1718.824   30.81591 1775.500  71.60000 1676.000   54.10000 58.83807 1.187562  57.17697 0.9233742 1.661098       1.504302  
1 1 1 -6  4  32 o 47.80811 0.4425631 1171.249   21.68080 1103.700  38.70000 1257.300   49.30000 46.39914 0.8139593 49.51629 0.9716290 -3.117149      1.267514  
1 1 1 -6  4  33 o 72.51562 0.6013330 2695.323   44.68327 2779.400  78.40000 2583.900   103.9000 73.60775 1.039427  70.93285 1.429453  2.674896       1.767412  
1 1 1 -6  4  34 o 26.18393 0.5634805 351.4211   15.11862 338.0000  32.20000 363.3000   28.50000 25.62871 1.229702  26.58795 1.048126  -0.9592400     1.615776  
1 1 1 -6  5  1  o 195.5995 1.304936  19604.51   261.5504 19935.40  651.9000 19382.80   436.8000 197.1830 3.226363  194.4691 2.191965  2.713821       3.900529  
1 1 1 -6  5  2  o 272.4527 1.513940  38038.20   422.6667 39297.00  874.9000 36861.70   817.7000 276.8545 3.083958  268.1448 2.975954  8.709625       4.285686  
1 1 1 -6  5  3  o 479.1384 2.608583  117678.2   1280.749 118035.0  2564.000 117322.0   2559.000 479.5239 5.218064  478.0724 5.223700  1.451508       7.383443  
1 1 1 -6  5  4  o 53.64656 0.3729160 1474.540   20.49988 1478.900  41.10000 1470.200   40.90000 53.72504 0.7465633 53.56679 0.7451253 0.1582565      1.054784  
1 1 1 -6  5  5  o 310.1047 1.712259  49280.45   544.0967 49866.40  1101.400 48708.40   1075.300 311.8446 3.446739  308.2056 3.404793  3.639008       4.844856  
1 1 1 -6  5  6  o 243.5319 1.375723  30390.57   343.3090 29704.20  670.8000 31110.10   703.2000 240.7188 2.719472  246.3464 2.785699  -5.627563      3.893026  
1 1 1 -6  5  7  o 128.7388 0.7764190 8491.924   102.4245 8389.200  204.4000 8595.100   205.3000 127.9492 1.558995  129.5101 1.546989  -1.560806      2.196279  
1 1 1 -6  5  8  o 119.7405 0.7385916 7346.293   90.62414 7144.600  175.4000 7561.900   187.5000 118.0786 1.449640  121.4772 1.506288  -3.398651      2.090541  
1 1 1 -6  5  9  o 99.23672 0.7067434 5045.794   71.86749 5424.400  188.9000 4813.300   116.0000 102.8819 1.791821  96.92033 1.168005  5.961578       2.138891  
1 1 1 -6  5  10 o 400.1759 2.614132  82092.48   1071.956 79671.90  2542.800 83856.60   1853.200 393.7238 6.302636  404.2437 4.473843  -10.51990      7.729068  
1 1 1 -6  5  11 o 114.0369 0.8109073 6663.192   94.75779 5994.400  207.5000 7225.300   174.4000 108.1500 1.872376  118.7428 1.433312  -10.59280      2.358002  
1 1 1 -6  5  12 o 181.5440 1.229832  16888.43   228.7842 16716.10  543.5000 17013.70   395.1000 180.5598 2.937515  182.1927 2.116302  -1.632919      3.620460  
1 1 1 -6  5  13 o 262.5815 1.748283  35336.20   470.4075 34762.90  1125.300 35748.00   808.3000 260.2645 4.219441  264.0351 2.987531  -3.770599      5.170012  
1 1 1 -6  5  14 o 152.4000 1.083070  11901.21   169.1374 11479.20  397.7000 12213.50   294.3000 149.6306 2.593803  154.3683 1.860518  -4.737701      3.192075  
1 1 1 -6  5  15 o 86.94370 0.6699334 3873.183   59.68540 4134.900  162.6000 3721.400   94.30000 89.81876 1.766669  85.21943 1.079878  4.599335       2.070569  
1 1 1 -6  5  16 o 92.68090 0.6914199 4401.268   65.66448 4518.700  162.7000 4321.800   110.1000 93.89363 1.691037  91.83469 1.169990  2.058937       2.056327  
1 1 1 -6  5  17 o 141.7518 1.015213  10296.69   147.4633 10464.40  367.7000 10184.40   246.2000 142.8405 2.512141  140.9553 1.704544  1.885162       3.035840  
1 1 1 -6  5  18 f 85.88451 0.6798158 3779.517   59.82800 3952.100  149.6000 3664.500   99.70000 87.80422 1.662715  84.56066 1.150611  3.243561       2.022011  
1 1 1 -6  5  19 o 138.4933 1.010576  9829.349   143.4154 9690.400  347.9000 9926.800   244.0000 137.4330 2.470387  139.1485 1.711248  -1.715515      3.005193  
1 1 1 -6  5  20 o 170.5198 1.032924  14901.64   180.4852 15330.80  371.3000 14495.70   351.2000 172.8860 2.095881  168.1163 2.038667  4.769684       2.923847  
1 1 1 -6  5  21 o 5.519625 1.617319  15.87653   9.734694 -32.20000 18.00000 72.50000   21.20000 3.364342 1.636767  11.75292 1.819030  -8.388575      2.447014  
1 1 1 -6  5  22 o 153.5277 0.9330842 12079.45   146.7932 11805.60  284.3000 12371.80   303.5000 151.7251 1.828609  155.3146 1.906988  -3.589462      2.642048  
1 1 1 -6  5  23 o 49.08091 0.4182338 1234.286   21.03440 1191.500  40.30000 1281.000   44.00000 48.21930 0.8156161 49.99700 0.8588364 -1.777699      1.184411  
1 1 1 -6  5  24 o 23.90059 0.4113524 292.6901   10.07444 341.4000  20.30000 244.7000   20.00000 25.79976 0.7687172 21.83305 0.8958610 3.966709       1.180463  
1 1 1 -6  5  25 o 81.07423 0.5773050 3368.073   47.96081 3523.500  97.60000 3217.900   94.30000 82.91045 1.148794  79.23303 1.161468  3.677414       1.633626  
1 1 1 -6  5  26 o 27.67710 0.4881199 392.5061   13.84348 368.7000  32.90000 409.8000   23.90000 26.79199 1.201431  28.26595 0.8260418 -1.473961      1.458006  
1 1 1 -6  5  27 o 99.02962 0.7494010 5025.729   76.04624 4774.200  179.4000 5210.800   132.0000 96.46546 1.814898  100.8143 1.277772  -4.348824      2.219585  
1 1 1 -6  5  28 o 179.5955 1.246372  16537.89   229.3726 16570.30  551.3000 16514.80   392.8000 179.4545 2.998024  179.3416 2.137431  0.1129456      3.681950  
1 1 1 -6  5  29 o 34.39761 0.4346314 606.2776   15.31961 543.7000  33.40000 659.3000   28.30000 32.55112 1.002536  35.86610 0.7700233 -3.314976      1.264126  
1 1 1 -6  5  30 o 107.4281 0.7921859 5915.486   87.20542 5896.300  206.6000 5929.500   150.9000 107.1473 1.881701  107.5095 1.369758  -0.3621826     2.327453  
1 1 1 -6  5  31 o 84.83563 0.6896895 3688.936   59.95568 3520.300  133.4000 3826.600   108.9000 82.80345 1.572204  86.36587 1.230516  -3.562416      1.996496  
1 1 1 -6  5  32 o 63.98246 0.6484486 2098.398   42.51428 2076.600  83.70000 2120.900   86.40000 63.60699 1.284169  64.27940 1.311727  -0.6724052     1.835679  
1 1 1 -6  5  33 o 44.81293 0.5415753 1029.304   24.86913 942.4000  46.10000 1131.100   54.00000 42.85654 1.049749  46.94665 1.122512  -4.090111      1.536881  
1 1 1 -6  5  34 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -6  6  1  o 72.04922 0.4838334 2659.716   35.72100 3045.100  127.0000 2508.900   49.70000 77.08524 1.607808  69.97599 0.6931208 7.109253       1.750846  
1 1 1 -6  6  2  o 375.1697 2.052302  72139.04   788.9824 73281.10  1601.300 71029.80   1555.300 377.9326 4.134852  372.0888 4.079145  5.843781       5.808307  
1 1 1 -6  6  3  o 145.6905 0.8449749 10875.66   126.1460 10325.10  240.5000 11483.00   265.3000 141.9435 1.653489  149.6896 1.729607  -7.746078      2.392815  
1 1 1 -6  6  4  o 130.5338 0.7688931 8730.418   102.8460 9304.900  217.5000 8215.100   195.1000 134.7499 1.575188  126.6143 1.503751  8.135582       2.177725  
1 1 1 -6  6  5  o 23.34447 0.8500399 279.6000   20.30000 279.6000  20.30000 ?          ?        23.34447 0.8500399 ?        ?         0.000000       0.8500399 
1 1 1 -6  6  6  o 131.5258 0.9118008 8863.802   122.8880 7966.300  258.8000 9675.300   234.0000 124.6727 2.025791  137.4039 1.661952  -12.73122      2.620289  
1 1 1 -6  6  7  o 141.0700 0.9716772 10196.99   140.4608 10361.80  336.5000 10078.90   241.1000 142.1795 2.309669  140.2399 1.677750  1.939621       2.854718  
1 1 1 -6  6  8  o 14.68303 0.5962957 110.6442   8.953055 94.40000  19.30000 124.7000   16.70000 13.49859 1.416380  15.56455 1.053288  -2.065961      1.765092  
1 1 1 -6  6  9  o 106.6560 0.7639301 5828.563   83.49052 5699.300  198.5000 5922.400   144.1000 105.4535 1.836967  107.5057 1.308080  -2.052208      2.255110  
1 1 1 -6  6  10 o 366.3562 2.366149  68802.43   888.2678 64298.30  1999.200 72403.80   1598.500 353.7495 5.515209  375.6167 4.153071  -21.86716      6.904023  
1 1 1 -6  6  11 o 137.1274 0.9619327 9635.119   135.1659 10021.00  336.3000 9375.800   226.0000 139.8142 2.347347  135.2577 1.630602  4.556488       2.858129  
1 1 1 -6  6  12 o 232.2572 1.542581  27645.35   367.1265 26701.90  860.7000 28347.10   640.2000 228.1176 3.682091  235.1252 2.657162  -7.007599      4.540739  
1 1 1 -6  6  13 o 162.6721 1.110223  13560.08   185.0639 13760.10  455.3000 13423.10   311.8000 163.8044 2.712525  161.8250 1.880322  1.979401       3.300516  
1 1 1 -6  6  14 o 60.99931 0.5263033 1906.493   32.89723 1751.600  75.50000 2026.100   58.30000 58.46341 1.260273  62.88122 0.9047930 -4.417809      1.551431  
1 1 1 -6  6  15 o 221.2512 1.480995  25089.60   335.7668 24391.90  790.3000 25605.00   583.8000 217.9712 3.538298  223.4343 2.549857  -5.463074      4.361344  
1 1 1 -6  6  16 o 49.09430 0.4200770 1234.937   21.13287 1026.200  38.20000 1493.400   47.30000 44.75109 0.8330314 53.98514 0.8550441 -9.234043      1.193751  
1 1 1 -6  6  17 f 187.3534 1.100228  17988.92   211.2237 18041.60  423.5000 17936.50   421.4000 187.5539 2.203581  187.0072 2.199064  0.5466766      3.113142  
1 1 1 -6  6  18 o 3.158098 1.372452  -1.510876  8.268883 -1.100000 17.00000 -1.900000  16.10000 4.658603 1.995691  4.475113 1.929924  0.1834903      2.776219  
1 1 1 -6  6  19 o 64.69473 0.4871649 2144.535   32.29559 2009.000  62.70000 2288.500   66.60000 62.61113 0.9772770 66.82478 0.9726092 -4.213650      1.378782  
1 1 1 -6  6  20 o 206.0010 1.203651  21750.97   254.0787 21125.00  495.3000 22410.30   521.7000 202.8981 2.382276  208.9719 2.436321  -6.073868      3.407477  
1 1 1 -6  6  21 o 212.8640 1.239339  23225.54   270.3278 23816.70  552.4000 22659.00   529.4000 215.4088 2.502603  210.1148 2.458833  5.293976       3.508401  
1 1 1 -6  6  22 o 87.19975 0.5836786 3896.219   52.15397 3720.400  101.3000 4082.800   107.5000 85.19667 1.160349  89.24924 1.175454  -4.052574      1.651696  
1 1 1 -6  6  23 o 100.1134 0.6475815 5135.826   66.43317 5449.500  140.4000 4854.100   126.1000 103.1033 1.328911  97.31062 1.264610  5.792725       1.834460  
1 1 1 -6  6  24 o 54.65873 0.4488911 1530.795   25.14195 1627.800  51.20000 1437.200   49.40000 56.35843 0.8865694 52.95583 0.9103634 3.402596       1.270735  
1 1 1 -6  6  25 o 72.64824 0.4891909 2704.313   36.41681 2584.200  70.70000 2831.900   75.10000 71.00735 0.9716677 74.33219 0.9859721 -3.324844      1.384297  
1 1 1 -6  6  26 o 55.77726 0.4411209 1594.111   25.21234 1413.800  45.40000 1819.300   56.70000 52.52239 0.8435542 59.57840 0.9287437 -7.056007      1.254651  
1 1 1 -6  6  27 o 96.97209 0.6385313 4818.899   63.44937 4834.300  126.5000 4803.400   127.3000 97.09846 1.271393  96.78693 1.283552  0.3115311      1.806639  
1 1 1 -6  6  28 o 50.53200 0.4132820 1308.411   21.39988 1291.600  42.70000 1325.300   42.90000 50.19886 0.8301100 50.84969 0.8233237 -0.6508331     1.169164  
1 1 1 -6  6  29 o 131.7495 0.8294135 8897.563   111.9743 9198.500  224.5000 8598.100   223.4000 133.8678 1.636598  129.4181 1.684573  4.449661       2.348667  
1 1 1 -6  6  30 o 71.67456 0.5071563 2632.650   37.24820 2770.700  78.60000 2508.300   70.80000 73.50386 1.043552  69.94006 0.9878908 3.563805       1.436986  
1 1 1 -6  6  31 o 50.04114 0.4097622 1283.220   21.01152 1380.300  43.90000 1194.100   40.30000 51.88522 0.8257004 48.25934 0.8149394 3.625881       1.160133  
1 1 1 -6  6  32 o 53.36998 0.5921707 1460.030   32.38488 1531.600  63.40000 1385.300   66.20000 54.62907 1.132575  51.94551 1.243688  2.683552       1.682108  
1 1 1 -6  6  33 o 85.64310 1.663651  0.000000   0.000000 ?         ?        3773.700   146.0000 ?        ?         85.64310 1.663651  0.000000       1.663651  
1 1 1 -6  7  1  o 230.1400 1.326099  27141.23   312.7276 26804.60  866.6000 27331.30   489.3000 228.5706 3.699984  230.9150 2.067877  -2.344391      4.238632  
1 1 1 -6  7  2  o 235.8053 2.664811  0.000000   0.000000 ?         ?        28509.00   643.9000 ?        ?         235.8053 2.664811  0.000000       2.664811  
1 1 1 -6  7  3  o 32.60201 0.3593011 544.5813   12.00332 519.3000  25.60000 566.9000   22.60000 31.83550 0.7847474 33.26286 0.6630564 -1.427359      1.027362  
1 1 1 -6  7  4  o 112.5882 0.7782271 6495.013   89.78370 6627.400  217.3000 6401.800   153.0000 113.7136 1.864872  111.7708 1.335872  1.942780       2.293971  
1 1 1 -6  7  5  o 245.6885 1.596114  30934.99   401.8345 29681.40  925.3000 31897.30   710.3000 240.5186 3.754356  249.4154 2.779203  -8.896759      4.671098  
1 1 1 -6  7  6  o 74.62804 0.5681944 2853.561   43.45076 2922.500  101.1000 2801.600   76.20000 75.51869 1.306467  73.94282 1.005682  1.575874       1.648712  
1 1 1 -6  7  7  o 82.65598 0.6089997 3500.535   51.58100 3273.700  114.6000 3686.200   93.80000 79.92617 1.399256  84.81599 1.079262  -4.889816      1.767123  
1 1 1 -6  7  8  o 204.0109 1.374038  21328.95   287.2435 19708.00  665.8000 22558.90   505.2000 196.0029 3.314996  209.7668 2.350327  -13.76389      4.063648  
1 1 1 -6  7  9  f 251.3116 1.638646  32369.60   421.9840 31464.40  1005.600 33024.10   727.1000 247.5741 3.963891  253.7594 2.796235  -6.185257      4.850914  
1 1 1 -6  7  10 o 163.9781 1.110968  13778.82   186.6748 13884.90  455.3000 13705.10   316.4000 164.5413 2.700377  163.5133 1.888361  1.028015       3.295139  
1 1 1 -6  7  11 o 79.82202 0.5987057 3264.650   48.97050 3166.200  112.7000 3340.300   86.60000 78.60006 1.399274  80.73722 1.046757  -2.137161      1.747474  
1 1 1 -6  7  12 o 201.2993 1.338760  20767.20   276.1490 21108.70  682.1000 20534.90   464.0000 202.8016 3.282300  200.1169 2.262746  2.684692       3.986667  
1 1 1 -6  7  13 o 68.02764 0.4780673 2371.139   33.32521 2681.900  73.60000 2114.000   60.90000 72.34338 0.9928431 64.22958 0.9253028 8.113808       1.357175  
1 1 1 -6  7  14 o 41.92271 0.3635555 900.4896   15.61775 932.0000  34.70000 874.7000   28.40000 42.64776 0.7940264 41.31671 0.6708018 1.331047       1.039448  
1 1 1 -6  7  15 o 67.06457 0.4573633 2304.492   31.43061 2441.500  66.50000 2181.700   59.60000 69.02409 0.9402052 65.24905 0.8914021 3.775032       1.295602  
1 1 1 -6  7  16 o 124.0609 0.7562300 7886.797   96.13625 7725.500  190.0000 8052.000   194.6000 122.7593 1.510430  125.3263 1.515312  -2.566986      2.139526  
1 1 1 -6  7  17 o 80.84534 0.5647182 3349.002   46.78269 3379.700  91.80000 3317.100   95.40000 81.20527 1.103215  80.44838 1.157265  0.7568893      1.598857  
1 1 1 -6  7  18 o 97.42147 0.6191180 4863.221   61.80541 5047.500  127.9000 4690.900   119.6000 99.23357 1.257806  95.66525 1.220053  3.568321       1.752314  
1 1 1 -6  7  19 o 179.5825 1.063504  16528.74   195.7047 17239.80  417.1000 15900.20   368.7000 183.3029 2.220611  176.0566 2.043725  7.246292       3.017934  
1 1 1 -6  7  20 o 86.99380 0.5707127 3877.821   50.87498 3819.700  101.7000 3936.000   101.8000 86.32641 1.149685  87.63125 1.133680  -1.304840      1.614622  
1 1 1 -6  7  21 o 113.1056 0.6973457 6555.466   80.82221 6535.700  162.6000 6575.000   160.7000 112.9084 1.405387  113.2484 1.384795  -0.3399811     1.973010  
1 1 1 -6  7  22 o 60.87241 0.4338238 1898.614   27.06028 1831.700  51.60000 1972.400   56.90000 59.78494 0.8422859 62.03767 0.8950730 -2.252731      1.229065  
1 1 1 -6  7  23 f ?        ?         -46.12609  11.41660 -68.50000 33.20000 -34.40000  17.40000 4.367925 2.145546  3.207077 1.570789  1.160848       2.659087  
1 1 1 -6  7  24 o 99.47976 0.6329657 5071.146   64.52282 5121.700  128.3000 5020.000   129.8000 99.95148 1.252677  98.95280 1.280113  0.9986801      1.791058  
1 1 1 -6  7  25 o 115.4388 0.7284933 6829.288   86.17386 7235.700  180.5000 6458.000   164.9000 118.7794 1.482988  112.2183 1.434031  6.561073       2.062935  
1 1 1 -6  7  26 o 33.87287 0.3759539 587.9004   13.04923 575.0000  25.90000 601.0000   26.30000 33.49552 0.7545964 34.24450 0.7494912 -0.7489815     1.063557  
1 1 1 -6  7  27 o 82.06080 0.5579834 3450.817   46.91972 3708.300  98.50000 3216.600   89.60000 85.04227 1.130324  79.20520 1.103967  5.837067       1.579992  
1 1 1 -6  7  28 o 133.6967 0.8234667 9162.665   112.8146 9177.400  221.7000 9147.400   229.7000 133.7109 1.618082  133.4825 1.679339  0.2283936      2.332031  
1 1 1 -6  7  29 o 40.67404 0.3871699 847.7358   16.13679 1002.100  36.70000 726.6000   28.80000 44.21253 0.8100697 37.64927 0.7465134 6.563263       1.101588  
1 1 1 -6  7  30 o 54.40534 0.4055246 1516.808   22.60773 1446.700  44.00000 1590.900   46.50000 53.11872 0.8083634 55.70284 0.8146615 -2.584122      1.147661  
1 1 1 -6  7  31 o 68.30495 0.5927590 2391.541   41.48859 2308.600  65.00000 2537.900   114.7000 67.08560 0.9455525 70.26084 1.593132  -3.175240      1.852603  
1 1 1 -6  7  32 o 96.88620 0.7276438 4813.353   72.24023 4644.600  117.4000 5083.300   187.8000 95.10494 1.204666  99.34560 1.844797  -4.240654      2.203292  
1 1 1 -6  8  1  o 106.5644 1.022006  0.000000   0.000000 ?         ?        5819.200   111.6000 ?        ?         106.5644 1.022006  0.000000       1.022006  
1 1 1 -6  8  2  o 58.95531 0.6174297 0.000000   0.000000 ?         ?        1780.900   37.30000 ?        ?         58.95531 0.6174297 0.000000       0.6174297 
1 1 1 -6  8  3  o 76.97025 0.9471076 0.000000   0.000000 ?         ?        3035.800   74.70000 ?        ?         76.97025 0.9471076 0.000000       0.9471076 
1 1 1 -6  8  4  o 163.4078 1.078271  13683.30   180.5506 12849.80  403.6000 14358.00   326.7000 158.2920 2.488249  167.3565 1.905058  -9.064484      3.133788  
1 1 1 -6  8  5  o 136.1739 0.9163890 9501.947   127.8710 8856.000  283.7000 10032.00   232.8000 131.4271 2.106570  139.9010 1.623917  -8.473816      2.659839  
1 1 1 -6  8  6  o 84.70583 0.6151458 3676.388   53.39367 3470.400  124.3000 3831.500   93.60000 82.28679 1.474153  86.46922 1.056370  -4.182426      1.813572  
1 1 1 -6  8  7  o 64.77798 0.5230231 2150.022   34.71736 1813.200  74.00000 2447.700   65.40000 59.48200 1.214081  69.11371 0.9234539 -9.631706      1.525372  
1 1 1 -6  8  8  o 122.4450 0.8402393 7682.523   105.4247 8062.900  267.5000 7435.100   174.0000 125.3998 2.081749  120.4436 1.409831  4.956215       2.514220  
1 1 1 -6  8  9  o 225.9208 1.268276  26158.38   293.6083 26079.40  594.3000 26235.50   580.3000 225.4745 2.572230  226.1556 2.504072  -0.6810608     3.589812  
1 1 1 -6  8  10 o 213.4210 1.209477  23343.71   264.5046 22939.40  524.4000 23755.20   533.7000 211.4716 2.419983  215.1990 2.420241  -3.727432      3.422555  
1 1 1 -6  8  11 o 179.2837 1.059299  16472.38   194.6068 16543.30  401.0000 16405.50   378.1000 179.5984 2.178931  178.8584 2.062998  0.7400055      3.000617  
1 1 1 -6  8  12 o 176.5894 1.018752  15981.00   184.3451 15687.80  370.6000 16271.20   366.8000 174.8949 2.067902  178.1222 2.009615  -3.227325      2.883534  
1 1 1 -6  8  13 o 21.09138 0.4406916 227.9292   9.524410 263.1000  18.90000 192.2000   19.20000 22.64424 0.8158609 19.34163 0.9718599 3.302612       1.268913  
1 1 1 -6  8  14 o 112.1561 0.6823248 6445.682   78.41737 6151.800  153.7000 6751.800   160.1000 109.5485 1.369207  114.7668 1.361371  -5.218330      1.930818  
1 1 1 -6  8  15 o 80.34566 0.5279714 3307.707   43.46815 3020.600  79.30000 3656.000   96.20000 76.77164 1.008031  84.45862 1.111560  -7.686981      1.500564  
1 1 1 -6  8  16 o 2.764362 1.268335  -6.045565  8.162079 0.1000000 15.70000 -12.70000  17.00000 4.555956 1.933680  3.983024 1.828576  0.5729327      2.661355  
1 1 1 -6  8  17 o 78.24890 0.5072789 3137.320   40.67461 3030.400  81.10000 3244.900   81.60000 76.89462 1.029263  79.57021 1.000786  -2.675583      1.435603  
1 1 1 -6  8  18 o 174.2604 1.020132  15563.48   182.1602 15801.10  373.7000 15337.50   355.4000 175.4960 2.078057  172.9103 2.005849  2.585724       2.888209  
1 1 1 -6  8  19 o 68.39782 0.4817636 2397.097   33.76561 2519.900  71.60000 2287.500   63.90000 70.11929 0.9964997 66.80900 0.9333994 3.310287       1.365374  
1 1 1 -6  8  20 o 205.8875 1.196386  21728.95   252.4060 22344.00  513.3000 21133.90   496.6000 208.6280 2.401045  202.9020 2.388482  5.725983       3.386719  
1 1 1 -6  8  21 o 254.4928 1.439976  33208.00   375.5165 33518.00  762.4000 32907.10   740.0000 255.3842 2.913336  253.0617 2.853691  2.322464       4.078122  
1 1 1 -6  8  22 o 40.95684 0.4723398 859.5258   19.82345 908.0000  40.00000 811.9000   39.30000 42.09069 0.9274182 39.80051 0.9636194 2.290180       1.337410  
1 1 1 -6  8  23 o 46.97569 0.3946452 1130.692   18.99671 1123.600  38.50000 1137.600   37.50000 46.82314 0.8024201 47.11436 0.7767469 -0.2912216     1.116787  
1 1 1 -6  8  24 o 98.45456 0.6379204 4967.385   64.35773 5262.200  132.1000 4687.300   125.5000 101.3036 1.272564  95.60931 1.280988  5.694283       1.805644  
1 1 1 -6  8  25 o 60.49622 0.4243887 1875.293   26.30816 1935.500  54.80000 1819.700   50.60000 61.44965 0.8702876 59.58424 0.8287447 1.865410       1.201756  
1 1 1 -6  8  26 o 76.81463 0.5306643 3023.693   41.76978 2840.800  77.50000 3237.500   90.60000 74.43668 1.016053  79.45878 1.112725  -5.022095      1.506825  
1 1 1 -6  8  27 o 66.61680 0.4638370 2274.101   31.66267 2346.400  64.60000 2204.600   62.10000 67.64998 0.9318938 65.57436 0.9241855 2.075615       1.312458  
1 1 1 -6  8  28 o 108.0903 0.6599126 5988.628   73.09231 5995.700  147.7000 5981.700   144.7000 108.0831 1.333596  107.9604 1.307994  0.1226959      1.867974  
1 1 1 -6  8  29 o 19.30138 0.4206106 190.9135   8.318919 216.6000  16.20000 163.8000   17.10000 20.53932 0.7710853 17.84627 0.9383804 2.693047       1.214549  
1 1 1 -6  8  30 o 53.14290 0.4808799 1447.446   26.18667 1502.200  43.90000 1366.500   64.90000 54.12345 0.7915543 51.58860 1.227701  2.534851       1.460756  
1 1 1 -6  8  31 o 47.49325 0.4730134 1156.082   23.01991 1129.900  39.80000 1192.000   54.60000 46.93494 0.8275388 48.18662 1.105778  -1.251675      1.381146  
1 1 1 -6  9  1  o 173.6722 1.615508  0.000000   0.000000 ?         ?        15463.30   287.5000 ?        ?         173.6722 1.615508  0.000000       1.615508  
1 1 1 -6  9  2  o 238.6325 2.160492  0.000000   0.000000 ?         ?        29208.50   528.3000 ?        ?         238.6325 2.160492  0.000000       2.160492  
1 1 1 -6  9  3  o 156.2850 1.458046  0.000000   0.000000 ?         ?        12520.50   233.5000 ?        ?         156.2850 1.458046  0.000000       1.458046  
1 1 1 -6  9  4  o 158.0065 1.461307  0.000000   0.000000 ?         ?        12797.90   236.6000 ?        ?         158.0065 1.461307  0.000000       1.461307  
1 1 1 -6  9  5  o 98.41096 0.7356204 4962.631   74.18150 4633.500  187.6000 5177.900   122.7000 95.05524 1.926010  100.5121 1.191319  -5.456833      2.264675  
1 1 1 -6  9  6  o 68.88592 0.4601494 2431.375   32.48087 2430.800  68.10000 2431.900   62.10000 68.87164 0.9649578 68.88856 0.8797234 -0.1691437E-01 1.305778  
1 1 1 -6  9  7  o 97.97354 0.5929505 4918.412   59.52859 4659.700  112.6000 5208.600   126.3000 95.35015 1.152441  100.8077 1.222676  -5.457550      1.680195  
1 1 1 -6  9  8  f 94.94044 0.5851445 4618.597   56.92627 4388.000  109.9000 4866.400   118.1000 92.52779 1.159117  97.44052 1.182802  -4.912735      1.656071  
1 1 1 -6  9  9  o 70.44205 0.4751700 2542.489   34.29883 2574.800  68.20000 2509.800   69.00000 70.88189 0.9389678 69.98105 0.9622109 0.9008408      1.344437  
1 1 1 -6  9  10 f 214.9540 1.218231  23683.23   268.3328 23619.50  532.4000 23748.00   541.0000 214.5323 2.421849  215.1103 2.454357  -0.5780029     3.448075  
1 1 1 -6  9  11 o 207.7126 1.193648  22114.21   254.0607 21392.10  484.8000 22909.30   533.8000 204.1777 2.317159  211.2728 2.465680  -7.095001      3.383608  
1 1 1 -6  9  12 o 55.77658 0.4166959 1594.022   23.81604 1476.000  45.90000 1721.300   49.50000 53.66790 0.8346411 57.95619 0.8335027 -4.288292      1.179556  
1 1 1 -6  9  13 o 63.82169 0.4331120 2087.034   28.32480 1968.100  56.50000 2206.600   56.80000 61.97085 0.8897390 65.61918 0.8447324 -3.648331      1.226869  
1 1 1 -6  9  14 o 28.88411 0.3526984 427.4676   10.43905 447.7000  22.60000 410.1000   19.40000 29.54832 0.7470087 28.28982 0.6692265 1.258495       1.002939  
1 1 1 -6  9  15 o 236.4035 1.344174  28650.19   325.6176 28355.50  642.7000 28952.80   660.0000 234.9846 2.669134  237.4378 2.712662  -2.453156      3.805629  
1 1 1 -6  9  16 o 156.6514 0.9051502 12576.35   145.2959 12845.00  301.9000 12327.10   280.1000 158.2463 1.861792  155.0325 1.763162  3.213837       2.564178  
1 1 1 -6  9  17 o 177.8985 1.013804  16220.54   184.8097 16791.10  386.8000 15698.50   353.9000 180.8975 2.086678  174.9266 1.974359  5.970901       2.872685  
1 1 1 -6  9  18 o 106.4369 0.6514372 5805.221   71.04985 5785.400  141.9000 5825.100   142.3000 106.2309 1.303567  106.5948 1.302779  -0.3639069     1.842965  
1 1 1 -6  9  19 o 57.81143 0.4208405 1712.477   24.93042 1534.700  45.60000 1926.900   55.00000 54.72349 0.8131913 61.31731 0.8753489 -6.593826      1.194787  
1 1 1 -6  9  20 o 52.70784 0.4057064 1423.469   21.91217 1476.300  46.30000 1376.000   41.60000 53.67112 0.8418640 51.81684 0.7834730 1.854275       1.150028  
1 1 1 -6  9  21 f 64.53864 0.4509817 2134.262   29.82477 2248.200  62.20000 2029.300   57.30000 66.22948 0.9165174 62.92336 0.8886779 3.306122       1.276618  
1 1 1 -6  9  22 o 48.41639 0.3798781 1201.116   18.84669 1150.200  37.20000 1253.400   38.20000 47.37375 0.7663140 49.45362 0.7538188 -2.079865      1.074932  
1 1 1 -6  9  23 o 54.36120 0.4265724 1514.227   23.76184 1702.200  50.60000 1347.800   44.80000 57.62773 0.8568813 51.27903 0.8525891 6.348694       1.208782  
1 1 1 -6  9  24 o 52.97838 0.4141680 1438.185   22.48400 1406.600  43.80000 1471.500   46.20000 52.38488 0.8159617 53.57903 0.8414897 -1.194141      1.172134  
1 1 1 -6  9  25 o 34.75576 0.3543880 618.9615   12.62130 732.5000  27.00000 519.3000   23.70000 37.80411 0.6969898 31.83005 0.7266290 5.974060       1.006869  
1 1 1 -6  9  26 f 69.39008 0.4745705 2467.475   33.74400 2532.200  66.60000 2401.000   68.40000 70.27403 0.9248706 68.42627 0.9755171 1.847763       1.344254  
1 1 1 -6  9  27 o 61.04842 0.4432327 1909.913   27.72711 2086.300  59.40000 1755.500   52.00000 63.78255 0.9088375 58.51025 0.8673074 5.272297       1.256267  
1 1 1 -6  9  28 o 28.63959 0.3497319 420.3138   10.26361 401.4000  18.60000 443.6000   22.90000 27.98216 0.6486843 29.40338 0.7606848 -1.421219      0.9997163 
1 1 1 -6  9  29 o 45.86237 0.4461617 1077.995   20.96753 1166.200  37.60000 966.8000   47.40000 47.68713 0.7694639 43.40088 1.065814  4.286259       1.314547  
1 1 1 -6  10 1  o 227.7391 1.798041  0.000000   0.000000 ?         ?        26599.50   419.6000 ?        ?         227.7391 1.798041  0.000000       1.798041  
1 1 1 -6  10 2  o 109.3265 1.041711  0.000000   0.000000 ?         ?        6125.800   116.7000 ?        ?         109.3265 1.041711  0.000000       1.041711  
1 1 1 -6  10 3  o 61.80496 0.6979119 0.000000   0.000000 ?         ?        1957.400   44.20000 ?        ?         61.80496 0.6979119 0.000000       0.6979119 
1 1 1 -6  10 4  o 205.5797 1.903557  0.000000   0.000000 ?         ?        21677.50   401.0000 ?        ?         205.5797 1.903557  0.000000       1.903557  
1 1 1 -6  10 5  o 18.17301 0.5058680 169.3528   9.411084 181.1000  28.30000 163.5000   14.10000 18.73566 1.486242  17.84548 0.7729004 0.8901863      1.675199  
1 1 1 -6  10 6  o 123.6917 0.8625454 7840.604   109.3254 8063.200  278.2000 7696.500   180.1000 125.3589 2.165726  122.5249 1.434468  2.833977       2.597704  
1 1 1 -6  10 7  o 105.8706 0.6515725 5743.503   70.68651 5309.600  132.9000 6236.500   151.0000 101.7739 1.274354  110.2973 1.336022  -8.523445      1.846330  
1 1 1 -6  10 8  o 85.29926 0.5254371 3728.181   45.92661 3491.400  86.20000 3998.200   98.30000 82.53609 1.019213  88.32153 1.086147  -5.785446      1.489466  
1 1 1 -6  10 9  o 121.4961 0.7157533 7564.236   89.10950 7305.000  175.9000 7830.400   180.6000 119.3660 1.438093  123.5847 1.426115  -4.218765      2.025318  
1 1 1 -6  10 10 o 85.75032 0.5332050 3767.737   46.85203 3832.700  96.80000 3706.800   90.80000 86.47350 1.092431  85.04286 1.041957  1.430634       1.509662  
1 1 1 -6  10 11 f 139.1248 0.8125451 9919.118   115.8378 9926.600  235.9000 9911.900   227.6000 139.1292 1.654669  139.0304 1.597585  0.9877014E-01  2.300045  
1 1 1 -6  10 12 o 116.1533 0.6955015 6913.579   82.78047 7152.200  173.4000 6695.600   158.4000 118.1092 1.432739  114.2813 1.352638  3.827904       1.970373  
1 1 1 -6  10 13 o 94.54234 0.5848415 4580.077   56.65821 4789.200  118.7000 4389.100   108.4000 96.65820 1.198433  92.53472 1.143211  4.123482       1.656252  
1 1 1 -6  10 14 o 45.17431 0.3753595 1045.619   17.37550 938.8000  31.60000 1176.100   38.60000 42.80179 0.7204881 47.90599 0.7863196 -5.104202      1.066490  
1 1 1 -6  10 15 o 37.58544 0.3701864 723.8187   14.25734 806.5000  32.50000 659.2000   25.40000 39.67038 0.7995002 35.86624 0.6911137 3.804142       1.056806  
1 1 1 -6  10 16 o 42.63536 0.3599826 931.3867   15.72714 875.5000  30.30000 991.7000   32.70000 41.33339 0.7153907 43.99080 0.7254167 -2.657417      1.018829  
1 1 1 -6  10 17 o 79.43163 0.5332095 3233.000   43.40000 3273.300  86.80000 3192.700   86.80000 79.91148 1.060015  78.92104 1.073318  0.9904404      1.508524  
1 1 1 -6  10 18 o 72.62151 0.4919972 2702.375   36.61224 2778.200  78.00000 2635.300   69.00000 73.61977 1.033955  71.70440 0.9390850 1.915375       1.396762  
1 1 1 -6  10 19 o 109.5890 0.6603639 6154.531   74.15638 6248.700  150.7000 6063.300   146.0000 110.3879 1.332273  108.7395 1.310289  1.648407       1.868638  
1 1 1 -6  10 20 o 59.15779 0.4077801 1793.211   24.71931 1771.200  48.70000 1815.900   50.20000 58.78586 0.8084584 59.52265 0.8230441 -0.7367859     1.153693  
1 1 1 -6  10 21 f 69.39760 0.4749340 2467.836   33.77350 2406.100  67.10000 2530.400   68.00000 68.50989 0.9558085 70.25768 0.9445321 -1.747787      1.343767  
1 1 1 -6  10 22 o 58.22773 0.4181506 1737.323   24.94945 1810.800  52.80000 1671.500   47.30000 59.43447 0.8669561 57.10460 0.8083355 2.329880       1.185335  
1 1 1 -6  10 23 o 2.796586 1.268492  -4.728571  7.868572 -5.700000 15.30000 -3.700000  16.20000 4.103210 1.821800  4.366904 1.908995  -0.2636943     2.638791  
1 1 1 -6  10 24 o 58.17987 0.4197539 1734.543   25.02453 1695.000  47.90000 1777.800   52.40000 57.49992 0.8129613 58.88505 0.8684161 -1.385124      1.189560  
1 1 1 -6  10 25 o 40.31639 0.3653840 832.9084   15.09488 860.8000  31.60000 807.4000   28.90000 40.97584 0.7525942 39.68590 0.7106622 1.289944       1.035103  
1 1 1 -6  10 26 o 13.44088 0.5391626 92.74477   7.410774 54.40000  14.20000 134.6000   15.50000 10.19709 1.395559  16.17165 0.9394044 -5.974560      1.682280  
1 1 1 -6  10 27 o 17.01126 0.4347959 148.4063   7.572937 166.5000  15.40000 130.9000   14.90000 17.99780 0.8373268 15.94748 0.9156410 2.050314       1.240772  
1 1 1 -6  10 28 o 12.81033 0.6468312 84.35396   8.463344 88.70000  15.60000 79.20000   18.50000 13.08974 1.175548  12.31999 1.496047  0.7697496      1.902648  
1 1 1 -6  11 1  o 59.19469 0.5737175 0.000000   0.000000 ?         ?        1795.500   34.80000 ?        ?         59.19469 0.5737175 0.000000       0.5737175 
1 1 1 -6  11 2  o 84.80941 0.7467965 0.000000   0.000000 ?         ?        3685.900   64.90000 ?        ?         84.80941 0.7467965 0.000000       0.7467965 
1 1 1 -6  11 3  o 46.71294 0.4930335 0.000000   0.000000 ?         ?        1118.100   23.60000 ?        ?         46.71294 0.4930335 0.000000       0.4930335 
1 1 1 -6  11 4  o 66.76707 0.7118169 0.000000   0.000000 ?         ?        2284.400   48.70000 ?        ?         66.76707 0.7118169 0.000000       0.7118169 
1 1 1 -6  11 5  o 61.89423 0.6858683 0.000000   0.000000 ?         ?        1963.100   43.50000 ?        ?         61.89423 0.6858683 0.000000       0.6858683 
1 1 1 -6  11 6  o 82.79205 0.5428503 3512.304   46.05397 3539.600  130.4000 3497.400   71.20000 83.08224 1.531690  82.61002 0.8411024 0.4722214      1.747435  
1 1 1 -6  11 7  o 200.7635 1.180193  20661.40   242.7931 20632.80  668.7000 20677.70   381.2000 200.2867 3.258223  200.7678 1.852936  -0.4810486     3.748252  
1 1 1 -6  11 8  o 33.13639 0.4032457 562.6068   13.69220 611.1000  37.40000 534.6000   21.60000 34.51259 1.058790  32.29951 0.6526186 2.213081       1.243763  
1 1 1 -6  11 9  o 74.59033 0.4906302 2850.839   37.50034 2635.200  71.80000 3086.600   78.50000 71.70420 0.9771956 77.60263 0.9871767 -5.898430      1.389039  
1 1 1 -6  11 10 f 189.5005 1.071906  18406.94   208.1447 18478.70  418.4000 18335.90   414.2000 189.7424 2.151934  189.0099 2.138588  0.7324829      3.033872  
1 1 1 -6  11 11 o 104.4997 0.6250490 5595.838   66.93101 5789.200  138.3000 5414.500   129.7000 106.2642 1.270097  102.7697 1.231619  3.494484       1.769189  
1 1 1 -6  11 12 o 79.23302 0.5024141 3216.808   40.79119 3254.900  84.80000 3181.500   78.60000 79.68745 1.038503  78.78590 0.9735890 0.9015427      1.423504  
1 1 1 -6  11 13 o 96.34285 0.6022087 4756.345   59.45179 4704.000  116.6000 4810.800   121.3000 95.79021 1.187898  96.86987 1.222007  -1.079659      1.704231  
1 1 1 -6  11 14 o 142.8669 0.8501952 10460.96   124.4654 10179.80  243.6000 10754.70   254.5000 140.8671 1.687600  144.7871 1.715377  -3.920029      2.406348  
1 1 1 -6  11 15 o 136.2444 0.8072377 9513.521   112.6986 9359.500  228.9000 9662.900   222.0000 135.0697 1.653825  137.2495 1.578498  -2.179749      2.286218  
1 1 1 -6  11 16 o 10.57760 0.7683501 57.64471   8.271299 91.70000  16.90000 25.00000   16.20000 13.31412 1.253476  6.955179 2.098479  6.358942       2.444344  
1 1 1 -6  11 17 o 67.76333 0.4541932 2352.925   31.53798 2507.900  66.00000 2211.100   60.40000 69.94675 0.9208270 65.67829 0.8974634 4.268456       1.285832  
1 1 1 -6  11 18 o 38.50484 0.4077961 759.7017   16.09003 836.7000  36.30000 698.4000   28.90000 40.40165 0.8768175 36.91397 0.7640269 3.487671       1.162990  
1 1 1 -6  11 19 o 27.24536 0.3584530 380.3575   10.00744 448.3000  21.80000 322.7000   18.50000 29.57486 0.7193420 25.08180 0.7205516 4.493061       1.018159  
1 1 1 -6  11 20 o 37.86356 0.3674248 734.6091   14.25569 700.8000  27.50000 771.0000   29.60000 36.97642 0.7257875 38.78379 0.7448058 -1.807373      1.039953  
1 1 1 -6  11 21 o 60.36226 0.8536309 1868.000   52.80000 1868.000  52.80000 ?          ?        60.36226 0.8536309 ?        ?         0.000000       0.8536309 
1 1 1 -6  11 22 o 21.91265 0.4201068 246.0574   9.433068 290.2000  19.70000 205.5000   18.10000 23.77760 0.8097184 19.99972 0.8853891 3.777880       1.199816  
1 1 1 -6  11 23 o 33.66956 0.3506573 580.9091   12.09814 541.8000  23.90000 621.0000   24.50000 32.50867 0.7174644 34.80461 0.6869591 -2.295944      0.9933117 
1 1 1 -6  11 24 o 27.36675 0.3512396 383.7873   9.849746 416.0000  19.80000 351.9000   19.60000 28.48533 0.6783372 26.18741 0.7311228 2.297913       0.9973374 
1 1 1 -6  11 25 o 8.553406 0.8319352 37.87952   7.199653 33.60000  14.50000 42.10000   14.30000 7.920095 1.824272  8.908504 1.626420  -0.9884086     2.444015  
1 1 1 -6  11 26 o 27.07191 0.3153285 375.5634   8.747429 370.6000  17.20000 380.7000   17.80000 26.88545 0.6243280 27.24894 0.6374881 -0.3634892     0.8922873 
1 1 1 -6  12 1  o 36.92107 0.5048480 0.000000   0.000000 ?         ?        698.5000   19.10000 ?        ?         36.92107 0.5048480 0.000000       0.5048480 
1 1 1 -6  12 2  o 79.67532 0.7042805 0.000000   0.000000 ?         ?        3253.200   57.50000 ?        ?         79.67532 0.7042805 0.000000       0.7042805 
1 1 1 -6  12 3  o 63.87090 0.6310281 0.000000   0.000000 ?         ?        2090.500   41.30000 ?        ?         63.87090 0.6310281 0.000000       0.6310281 
1 1 1 -6  12 4  o 89.62531 0.7905104 0.000000   0.000000 ?         ?        4116.700   72.60000 ?        ?         89.62531 0.7905104 0.000000       0.7905104 
1 1 1 -6  12 5  o 97.21183 0.9627225 0.000000   0.000000 ?         ?        4843.800   95.90000 ?        ?         97.21183 0.9627225 0.000000       0.9627225 
1 1 1 -6  12 6  o 171.7699 1.594766  0.000000   0.000000 ?         ?        15134.30   280.7000 ?        ?         171.7699 1.594766  0.000000       1.594766  
1 1 1 -6  12 7  o 106.8088 0.6784388 5846.219   74.25338 5685.200  200.0000 5941.300   118.1000 105.2553 1.854333  107.6568 1.070557  -2.401550      2.141179  
1 1 1 -6  12 8  o 71.17915 0.4773737 2596.095   34.81846 2477.700  94.30000 2665.400   55.20000 69.51212 1.323893  72.11736 0.7469661 -2.605240      1.520082  
1 1 1 -6  12 9  o 49.93032 0.4718162 1277.451   24.13990 1211.800  60.20000 1321.400   40.30000 48.61567 1.208431  50.77726 0.7745285 -2.161594      1.435340  
1 1 1 -6  12 10 o 36.50095 0.3966835 682.6711   14.83702 738.6000  38.10000 647.0000   24.30000 37.94627 0.9806670 35.53191 0.6674048 2.414360       1.186228  
1 1 1 -6  12 11 o 38.50990 0.4223146 759.8971   16.66506 851.4000  43.80000 703.7000   26.90000 40.73899 1.050093  37.05537 0.7084395 3.683624       1.266721  
1 1 1 -6  12 12 o 34.57782 0.3427650 612.6218   12.14486 561.3000  23.80000 666.1000   24.80000 33.09426 0.7018204 36.05205 0.6713103 -2.957794      0.9711897 
1 1 1 -6  12 13 o 73.77776 0.4730957 2789.184   35.76620 2908.800  73.80000 2676.700   69.40000 75.32770 0.9561000 72.26070 0.9372574 3.066994       1.338872  
1 1 1 -6  12 14 f 61.77489 0.4241773 1955.427   26.85084 1822.800  51.50000 2099.900   56.10000 59.63322 0.8427925 64.00518 0.8553607 -4.371964      1.200809  
1 1 1 -6  12 15 o 58.94320 0.4507193 1780.314   27.22314 1752.000  54.00000 1809.100   54.90000 58.46032 0.9014346 59.40532 0.9018798 -0.9449959     1.275136  
1 1 1 -6  12 16 o 82.21716 0.5346624 3464.073   45.04437 3266.900  87.80000 3671.800   92.50000 79.81694 1.073498  84.61922 1.066779  -4.802284      1.513411  
1 1 1 -6  12 17 o 40.94417 0.3525562 859.0081   14.79172 838.7000  28.90000 880.3000   30.30000 40.45124 0.6972165 41.44190 0.7135174 -0.9906654     0.9976061 
1 1 1 -6  12 18 o 41.64621 0.3826031 888.7470   16.32760 971.9000  37.20000 823.7000   29.10000 43.53985 0.8337918 40.08663 0.7084270 3.453220       1.094110  
1 1 1 -6  12 19 o 27.30060 0.3821833 381.9261   10.69159 421.3000  22.00000 344.7000   20.80000 28.65727 0.7498299 25.91779 0.7840916 2.739487       1.084917  
1 1 1 -6  12 20 o 82.12563 0.5111053 3456.724   43.01178 3728.000  93.30000 3224.700   79.80000 85.24142 1.068151  79.28740 0.9822010 5.954025       1.451091  
1 1 1 -6  12 21 o 19.25303 0.4467123 189.9708   8.813030 170.9000  17.00000 210.5000   18.30000 18.23030 0.9129375 20.23919 0.8845240 -2.008890      1.271156  
1 1 1 -6  12 22 o 45.34409 0.3625932 1053.660   16.84763 1042.000  33.30000 1065.600   34.10000 45.07859 0.7209008 45.58574 0.7300069 -0.5071526     1.025967  
1 1 1 -6  12 23 o 16.92542 0.4520434 146.9311   7.833016 142.8000  16.90000 150.5000   14.60000 16.65060 0.9950478 17.10807 0.8353500 -0.4574623     1.299204  
1 1 1 -6  12 24 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -6  13 1  o 90.85513 1.166493  0.000000   0.000000 ?         ?        4233.000   108.6000 ?        ?         90.85513 1.166493  0.000000       1.166493  
1 1 1 -6  13 2  o 77.56123 1.196568  0.000000   0.000000 ?         ?        3085.000   95.10000 ?        ?         77.56123 1.196568  0.000000       1.196568  
1 1 1 -6  13 3  o 50.91898 0.6899609 0.000000   0.000000 ?         ?        1328.800   36.00000 ?        ?         50.91898 0.6899609 0.000000       0.6899609 
1 1 1 -6  13 4  o 12.96167 0.8632323 0.000000   0.000000 ?         ?        86.50000   11.40000 ?        ?         12.96167 0.8632323 0.000000       0.8632323 
1 1 1 -6  13 5  o 80.27192 0.7245765 0.000000   0.000000 ?         ?        3302.500   59.60000 ?        ?         80.27192 0.7245765 0.000000       0.7245765 
1 1 1 -6  13 6  o 86.93489 0.8901858 0.000000   0.000000 ?         ?        3874.200   79.30000 ?        ?         86.93489 0.8901858 0.000000       0.8901858 
1 1 1 -6  13 7  o 67.81271 0.7181101 0.000000   0.000000 ?         ?        2356.900   49.90000 ?        ?         67.81271 0.7181101 0.000000       0.7181101 
1 1 1 -6  13 8  o 30.74987 0.6505972 0.000000   0.000000 ?         ?        484.6000   20.50000 ?        ?         30.74987 0.6505972 0.000000       0.6505972 
1 1 1 -6  13 9  o 45.33294 0.3925834 1053.040   18.23661 968.5000  52.30000 1098.300   28.00000 43.43985 1.176020  46.29362 0.5902534 -2.853767      1.315835  
1 1 1 -6  13 10 o 51.09634 0.3963386 1337.828   20.75174 1234.700  56.20000 1398.200   32.90000 49.06695 1.117761  52.23212 0.6146953 -3.165176      1.275633  
1 1 1 -6  13 11 o 17.30506 0.5467744 153.6215   9.683544 124.4000  22.50000 175.7000   17.00000 15.50361 1.432479  18.49046 0.8999308 -2.986845      1.691706  
1 1 1 -6  13 12 o 46.66483 0.4328729 1115.879   20.69895 1122.500  51.30000 1111.400   34.70000 46.78400 1.070093  46.56432 0.7272402 0.2196846      1.293823  
1 1 1 -6  13 13 o 53.75462 0.4463532 1480.741   24.58628 1542.600  62.10000 1440.200   40.70000 54.84027 1.105080  53.00484 0.7493427 1.835434       1.335184  
1 1 1 -6  13 14 o 14.88381 0.5612997 113.6971   8.545321 126.1000  16.70000 100.7000   17.50000 15.64473 1.047758  13.95439 1.236642  1.690344       1.620827  
1 1 1 -6  13 15 o 56.58199 0.4065300 1640.602   23.57052 1587.100  46.50000 1695.600   47.80000 55.63652 0.8156327 57.50707 0.8111633 -1.870548      1.150323  
1 1 1 -6  13 16 o 25.71785 0.3764213 338.9327   9.919899 335.2000  20.30000 342.5000   19.40000 25.55684 0.7760575 25.83615 0.7335259 -0.2793026     1.067860  
1 1 1 -6  13 17 o 35.68590 0.3329110 652.5709   12.17372 611.2000  24.10000 694.8000   24.60000 34.52784 0.6811602 36.81453 0.6521050 -2.286686      0.9429847 
1 1 1 -6  13 18 o 45.32140 0.3498234 1052.582   16.24615 1076.900  33.00000 1029.000   32.00000 45.82903 0.7027080 44.79847 0.6970893 1.030556       0.9898141 
1 1 1 -6  13 19 o 39.59826 0.3370738 803.5336   13.67727 843.6000  29.50000 768.9000   25.50000 40.56011 0.7097813 38.72569 0.6426029 1.834419       0.9574591 
1 1 1 -6  13 20 o 19.69690 0.3694201 198.8264   7.456187 206.9000  14.20000 189.9000   15.70000 20.07462 0.6913394 19.22422 0.7987292 0.8503952      1.056370  
1 1 1 -6  13 21 o 29.77609 0.3333263 454.3588   10.17034 492.3000  21.50000 420.3000   19.30000 30.98376 0.6771829 28.62925 0.6578835 2.354513       0.9441331 
1 1 1 -6  14 1  o 69.10403 1.011140  0.000000   0.000000 ?         ?        2449.300   71.60000 ?        ?         69.10403 1.011140  0.000000       1.011140  
1 1 1 -6  14 2  o 39.48488 0.8601021 0.000000   0.000000 ?         ?        799.4000   34.80000 ?        ?         39.48488 0.8601021 0.000000       0.8601021 
1 1 1 -6  14 3  o 68.29059 0.9831714 0.000000   0.000000 ?         ?        2391.800   68.80000 ?        ?         68.29059 0.9831714 0.000000       0.9831714 
1 1 1 -6  14 4  o 35.21251 0.8009446 0.000000   0.000000 ?         ?        635.7000   28.90000 ?        ?         35.21251 0.8009446 0.000000       0.8009446 
1 1 1 -6  14 5  o 54.51723 0.8735497 0.000000   0.000000 ?         ?        1524.000   48.80000 ?        ?         54.51723 0.8735497 0.000000       0.8735497 
1 1 1 -6  14 6  o 38.04710 0.7335777 0.000000   0.000000 ?         ?        742.1000   28.60000 ?        ?         38.04710 0.7335777 0.000000       0.7335777 
1 1 1 -6  14 7  f 17.44986 1.005322  0.000000   0.000000 ?         ?        156.7000   17.90000 ?        ?         17.44986 1.005322  0.000000       1.005322  
1 1 1 -6  14 8  o 10.02575 2.626432  0.000000   0.000000 ?         ?        53.80000   27.30000 ?        ?         10.02575 2.626432  0.000000       2.626432  
1 1 1 -6  14 9  o 91.09157 1.804120  0.000000   0.000000 ?         ?        4268.000   168.4000 ?        ?         91.09157 1.804120  0.000000       1.804120  
1 1 1 -6  14 10 o 59.82290 1.218582  0.000000   0.000000 ?         ?        1837.100   74.70000 ?        ?         59.82290 1.218582  0.000000       1.218582  
1 1 1 -6  14 11 o 24.35160 0.5669487 303.9586   14.14717 342.8000  28.70000 266.2000   27.90000 25.82277 1.087059  22.73996 1.201601  3.082809       1.620353  
1 1 1 -6  14 12 o 33.05782 0.3748421 560.0233   12.69758 626.1000  33.10000 518.9000   20.60000 34.92317 0.9257614 31.81492 0.6318849 3.108250       1.120854  
1 1 1 -6  14 13 o 38.57999 0.4187405 762.8016   16.55410 738.5000  37.40000 782.1000   29.70000 37.92604 0.9631352 39.05353 0.7421604 -1.127491      1.215908  
1 1 1 -6  14 14 o 29.57684 0.4815289 448.3757   14.59394 437.3000  25.80000 462.8000   33.60000 29.18385 0.8636878 30.00449 1.094670  -0.8206367     1.394367  
1 1 1 -6  14 15 o 10.53745 0.9377502 57.43018   10.01995 63.10000  19.60000 51.50000   20.50000 10.92193 1.814965  9.801973 2.103937  1.119958       2.778605  
1 1 1 -6  14 16 o 6.361672 1.483266  21.65879   9.490290 28.80000  17.90000 13.60000   20.20000 7.412203 2.198733  6.119464 2.328586  1.292739       3.202615  
1 1 1 -6  14 17 o 17.13582 0.6571980 150.7994   11.51844 140.1000  23.60000 161.0000   22.50000 16.44246 1.414438  17.65445 1.251861  -1.211985      1.888860  
1 1 1 -6  15 1  o 25.04859 0.8153491 0.000000   0.000000 ?         ?        322.2000   20.90000 ?        ?         25.04859 0.8153491 0.000000       0.8153491 
1 1 1 -6  15 2  o 34.96076 0.7090135 0.000000   0.000000 ?         ?        626.8000   25.40000 ?        ?         34.96076 0.7090135 0.000000       0.7090135 
1 1 1 -6  15 3  o 41.63024 0.7266988 0.000000   0.000000 ?         ?        888.8000   31.00000 ?        ?         41.63024 0.7266988 0.000000       0.7266988 
1 1 1 -6  15 4  o 5.809485 2.091805  0.000000   0.000000 ?         ?        14.60000   15.90000 ?        ?         5.809485 2.091805  0.000000       2.091805  
1 1 1 -6  15 5  o 40.89375 0.7517186 0.000000   0.000000 ?         ?        857.7000   31.50000 ?        ?         40.89375 0.7517186 0.000000       0.7517186 
1 1 1 -6  15 6  o 37.21613 0.7106237 0.000000   0.000000 ?         ?        710.3000   27.10000 ?        ?         37.21613 0.7106237 0.000000       0.7106237 
1 1 1 -6  15 7  o 54.56187 0.8120229 0.000000   0.000000 ?         ?        1527.200   45.40000 ?        ?         54.56187 0.8120229 0.000000       0.8120229 
1 1 1 -6  15 8  o 7.123501 2.009386  0.000000   0.000000 ?         ?        26.90000   15.30000 ?        ?         7.123501 2.009386  0.000000       2.009386  
1 1 1 -6  15 9  o 36.82744 0.7631722 0.000000   0.000000 ?         ?        695.7000   28.80000 ?        ?         36.82744 0.7631722 0.000000       0.7631722 
1 1 1 -6  15 10 o 25.75716 0.9869183 0.000000   0.000000 ?         ?        341.1000   26.00000 ?        ?         25.75716 0.9869183 0.000000       0.9869183 
1 1 1 -6  15 11 o 22.90592 0.9478647 0.000000   0.000000 ?         ?        269.8000   22.20000 ?        ?         22.90592 0.9478647 0.000000       0.9478647 
1 1 1 -6  15 12 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -5  0  1  o 132.9758 2.239052  9070.500   304.9000 9070.500  304.9000 9070.500   304.9000 132.9758 2.239052  132.9758 2.239052  0.000000       0.000000  
1 1 1 -5  0  2  o 217.1710 3.526921  24203.10   784.4000 24203.10  784.4000 24203.10   784.4000 217.1710 3.526921  217.1710 3.526921  0.000000       0.000000  
1 1 1 -5  0  3  o 198.4365 3.212798  20204.50   652.9000 20204.50  652.9000 20204.50   652.9000 198.4365 3.212798  198.4365 3.212798  -0.000000      0.000000  
1 1 1 -5  0  4  o 170.3410 2.823878  14886.80   492.6000 14886.80  492.6000 14886.80   492.6000 170.3410 2.823878  170.3410 2.823878  -0.000000      0.000000  
1 1 1 -5  0  5  o 21.77886 0.7096930 243.8000   15.80000 243.8000  15.80000 243.8000   15.80000 21.77886 0.7096930 21.77886 0.7096930 0.000000       0.000000  
1 1 1 -5  0  6  o 167.1446 2.769799  14333.50   474.1000 14333.50  474.1000 14333.50   474.1000 167.1446 2.769799  167.1446 2.769799  -0.000000      0.000000  
1 1 1 -5  0  7  o 70.93844 1.363067  2581.500   99.00000 2581.500  99.00000 2581.500   99.00000 70.93844 1.363067  70.93844 1.363067  0.000000       0.000000  
1 1 1 -5  0  8  o 165.2068 2.831965  14004.10   479.1000 14004.10  479.1000 14004.10   479.1000 165.2068 2.831965  165.2068 2.831965  0.000000       0.000000  
1 1 1 -5  0  9  o 183.1696 3.085708  17215.10   578.8000 17215.10  578.8000 17215.10   578.8000 183.1696 3.085708  183.1696 3.085708  -0.000000      0.000000  
1 1 1 -5  0  10 o 423.1577 6.727596  92036.40   2915.500 92036.40  2915.500 92036.40   2915.500 423.1577 6.727596  423.1577 6.727596  0.000000       0.000000  
1 1 1 -5  0  11 o 95.55234 1.728321  4683.100   169.1000 4683.100  169.1000 4683.100   169.1000 95.55234 1.728321  95.55234 1.728321  -0.000000      0.000000  
1 1 1 -5  0  12 o 288.1741 4.661850  42614.80   1375.800 42614.80  1375.800 42614.80   1375.800 288.1741 4.661850  288.1741 4.661850  -0.000000      0.000000  
1 1 1 -5  0  13 o 368.6649 4.176737  69701.90   1577.400 69701.90  1577.400 69701.90   1577.400 368.6649 4.176737  368.6649 4.176737  0.000000       0.000000  
1 1 1 -5  0  14 o 31.99162 0.6350604 525.0000   20.80000 525.0000  20.80000 525.0000   20.80000 31.99162 0.6350604 31.99162 0.6350604 0.000000       0.000000  
1 1 1 -5  0  15 o 52.13157 0.8260098 1393.500   44.10000 1393.500  44.10000 1393.500   44.10000 52.13157 0.8260098 52.13157 0.8260098 -0.000000      0.000000  
1 1 1 -5  0  16 f 367.9535 4.184823  69438.00   1577.400 69438.00  1577.400 69438.00   1577.400 367.9535 4.184823  367.9535 4.184823  -0.000000      0.000000  
1 1 1 -5  0  17 o 49.81417 0.8782765 1272.600   44.80000 1272.600  44.80000 1272.600   44.80000 49.81417 0.8782765 49.81417 0.8782765 0.000000       0.000000  
1 1 1 -5  0  18 o 192.1935 2.297869  18937.90   452.4000 18937.90  452.4000 18937.90   452.4000 192.1935 2.297869  192.1935 2.297869  0.000000       0.000000  
1 1 1 -5  0  19 o 309.0177 3.513084  48975.50   1112.100 48975.50  1112.100 48975.50   1112.100 309.0177 3.513084  309.0177 3.513084  0.000000       0.000000  
1 1 1 -5  0  20 o 40.76889 0.8386014 852.7000   35.00000 852.7000  35.00000 852.7000   35.00000 40.76889 0.8386014 40.76889 0.8386014 0.000000       0.000000  
1 1 1 -5  0  21 o 174.8013 2.223907  15668.80   398.2000 15668.80  398.2000 15668.80   398.2000 174.8013 2.223907  174.8013 2.223907  0.000000       0.000000  
1 1 1 -5  0  22 o 54.49419 0.9156908 1522.900   51.10000 1522.900  51.10000 1522.900   51.10000 54.49419 0.9156908 54.49419 0.9156908 0.000000       0.000000  
1 1 1 -5  0  23 o 173.3898 2.118645  15418.20   376.3000 15418.20  376.3000 15418.20   376.3000 173.3898 2.118645  173.3898 2.118645  0.000000       0.000000  
1 1 1 -5  0  24 o 74.40298 1.615022  2841.200   123.0000 2841.200  123.0000 2841.200   123.0000 74.40298 1.615022  74.40298 1.615022  0.000000       0.000000  
1 1 1 -5  0  25 o 120.2943 2.218858  7426.500   273.3000 7426.500  273.3000 7426.500   273.3000 120.2943 2.218858  120.2943 2.218858  0.000000       0.000000  
1 1 1 -5  0  26 o 40.08498 1.114541  825.3000   45.70000 825.3000  45.70000 825.3000   45.70000 40.08498 1.114541  40.08498 1.114541  -0.000000      0.000000  
1 1 1 -5  0  27 o 2.390792 1.732146  -46.10000  22.80000 -46.10000 22.80000 -46.10000  22.80000 2.390792 1.732146  2.390792 1.732146  -0.000000      0.000000  
1 1 1 -5  0  28 o 140.8666 2.554084  10187.50   368.4000 10187.50  368.4000 10187.50   368.4000 140.8666 2.554084  140.8666 2.554084  -0.000000      0.000000  
1 1 1 -5  0  29 o 3.601770 2.485144  -23.90000  30.70000 -23.90000 30.70000 -23.90000  30.70000 3.601770 2.485144  3.601770 2.485144  0.000000       0.000000  
1 1 1 -5  0  30 o 32.40662 1.162788  540.3000   38.50000 540.3000  38.50000 540.3000   38.50000 32.40662 1.162788  32.40662 1.162788  0.000000       0.000000  
1 1 1 -5  0  31 o 123.8467 2.279803  7877.100   289.1000 7877.100  289.1000 7877.100   289.1000 123.8467 2.279803  123.8467 2.279803  0.000000       0.000000  
1 1 1 -5  0  32 o 160.7185 1.939444  13256.00   319.3000 13256.00  319.3000 13256.00   319.3000 160.7185 1.939444  160.7185 1.939444  0.000000       0.000000  
1 1 1 -5  0  33 o 117.2781 1.492531  7056.800   179.3000 7056.800  179.3000 7056.800   179.3000 117.2781 1.492531  117.2781 1.492531  0.000000       0.000000  
1 1 1 -5  0  34 o 134.3958 1.735382  9273.500   238.9000 9273.500  238.9000 9273.500   238.9000 134.3958 1.735382  134.3958 1.735382  0.000000       0.000000  
1 1 1 -5  0  35 o 21.66692 1.373024  243.7000   30.20000 243.7000  30.20000 243.7000   30.20000 21.66692 1.373024  21.66692 1.373024  0.000000       0.000000  
1 1 1 -5  1  1  o 159.1282 1.077024  12975.78   175.6188 12646.20  291.4000 13475.70   442.0000 157.0708 1.810488  162.0970 2.661025  -5.026154      3.218528  
1 1 1 -5  1  2  o 67.11114 0.5013365 2307.665   34.47643 2296.300  59.70000 2323.200   81.60000 66.94331 0.8702996 67.33127 1.182701  -0.3879547     1.468402  
1 1 1 -5  1  3  o 81.73910 0.6333992 3423.358   53.05249 3132.600  85.80000 3894.400   139.0000 78.18682 1.070916  87.16914 1.556158  -8.982323      1.889044  
1 1 1 -5  1  4  o 378.3575 2.972825  73436.83   1152.577 73364.00  2323.600 73508.50   2287.000 377.4461 6.007698  377.8495 5.906755  -0.4034119     8.425093  
1 1 1 -5  1  5  o 177.3462 1.483877  16119.45   269.6611 16904.10  572.6000 15421.00   509.7000 181.5160 3.078492  173.3861 2.868812  8.129929       4.207992  
1 1 1 -5  1  6  o 76.04909 0.6954814 2963.383   54.19733 3011.700  110.9000 2917.200   106.0000 76.65790 1.411810  75.44628 1.371102  1.211617       1.968026  
1 1 1 -5  1  7  o 100.4791 0.8970996 5173.339   92.36654 5614.800  199.1000 4791.300   172.3000 104.6582 1.856520  96.68212 1.739165  7.976074       2.543887  
1 1 1 -5  1  8  o 83.93094 0.7548900 3609.500   64.92383 3562.700  129.3000 3656.700   130.4000 83.37503 1.513436  84.46790 1.506564  -1.092873      2.135468  
1 1 1 -5  1  9  o 135.1734 1.225029  9363.351   169.6822 9635.300  374.0000 9137.500   310.6000 137.0752 2.662652  133.5032 2.270447  3.572021       3.499235  
1 1 1 -5  1  10 o 111.0925 0.8618083 6323.690   98.10558 6825.700  242.2000 5981.900   164.9000 115.3975 2.048232  108.0404 1.489485  7.357109       2.532552  
1 1 1 -5  1  11 o 86.65154 0.6533062 3847.126   58.00848 3596.000  132.8000 4041.900   103.0000 83.76884 1.547096  88.81482 1.131757  -5.045982      1.916867  
1 1 1 -5  1  12 o 112.5138 0.8445961 6486.365   97.37627 6304.200  239.7000 6611.000   164.0000 110.9081 2.109145  113.5845 1.409050  -2.676453      2.536516  
1 1 1 -5  1  13 o 125.2860 0.9368317 8042.636   120.2715 8806.200  312.3000 7564.400   195.6000 131.0793 2.325088  121.4978 1.571094  9.581528       2.806131  
1 1 1 -5  1  14 o 129.6295 0.9562843 8609.979   127.0250 8639.200  314.7000 8590.200   213.0000 129.8294 2.365513  129.4735 1.605464  0.3559113      2.858875  
1 1 1 -5  1  15 o 24.17545 0.6859136 299.6962   16.97474 236.1000  32.20000 370.6000   35.90000 21.41419 1.476462  26.86139 1.308205  -5.447199      1.972648  
1 1 1 -5  1  16 o 451.2460 2.950805  104393.2   1364.433 106132.0  3378.000 103215.0   2289.000 454.2575 7.257034  448.4278 4.981440  5.829742       8.802232  
1 1 1 -5  1  17 o 103.8981 0.6836764 5530.954   72.78749 5077.400  135.7000 6055.700   157.0000 99.54192 1.330379  108.7086 1.409410  -9.166656      1.938130  
1 1 1 -5  1  18 o 19.01357 0.4823632 185.3463   9.390427 159.6000  19.40000 209.5000   18.20000 17.61552 1.079942  20.20133 0.8813315 -2.585812      1.393922  
1 1 1 -5  1  19 o 151.3252 0.9519923 11733.63   147.6193 12087.00  309.3000 11411.00   282.4000 153.5628 1.965602  149.2104 1.847002  4.352417       2.697222  
1 1 1 -5  1  20 o 142.5146 0.9102906 10407.21   132.9346 10204.90  260.1000 10618.70   271.9000 141.1004 1.798927  143.9312 1.843554  -2.830811      2.575816  
1 1 1 -5  1  21 o 185.2318 1.317471  17584.09   250.0662 18246.10  623.1000 17140.30   417.7000 188.5560 3.224920  182.8322 2.229530  5.723831       3.920576  
1 1 1 -5  1  22 o 135.7270 1.047096  9440.491   145.6300 9068.700  358.2000 9695.200   245.4000 132.9513 2.629267  137.5195 1.741453  -4.568222      3.153681  
1 1 1 -5  1  23 o 4.027384 1.882896  0.000000   0.000000 ?         ?        -19.30000  19.30000 ?        ?         4.027384 1.882896  0.000000       1.882896  
1 1 1 -5  1  24 f 180.2892 1.293837  16660.55   239.0274 16154.20  562.6000 17034.60   415.6000 177.3534 3.095721  182.2273 2.225686  -4.873871      3.812764  
1 1 1 -5  1  25 o 34.05062 0.4840079 594.0809   16.88791 605.1000  42.10000 586.7000   28.20000 34.33855 1.198306  33.83650 0.8133273 0.5020523      1.448254  
1 1 1 -5  1  26 o 161.9673 1.178901  13446.00   195.6604 13424.40  473.8000 13461.20   333.3000 161.6824 2.859788  161.9985 2.007826  -0.3160400     3.494246  
1 1 1 -5  1  27 o 75.41234 0.6715756 2914.150   51.89622 3014.400  126.7000 2844.600   87.90000 76.67386 1.612616  74.49725 1.151464  2.176605       1.981514  
1 1 1 -5  1  28 o 200.1142 1.696473  20536.73   347.8750 20202.50  695.7000 20871.00   695.8000 198.1938 3.425576  201.4584 3.370549  -3.264633      4.805744  
1 1 1 -5  1  29 o 111.4025 0.8728278 6360.372   99.63731 6597.600  175.5000 6048.800   230.5000 113.4288 1.509925  108.5678 2.071912  4.860947       2.563726  
1 1 1 -5  1  30 o 41.46172 0.5480699 880.8881   23.28529 895.9000  40.60000 860.7000   54.60000 41.80799 0.9476944 40.95054 1.302830  0.8574562      1.611052  
1 1 1 -5  1  31 o 156.1023 1.157195  12493.87   185.1034 12313.00  312.1000 12757.50   454.9000 154.8639 1.966733  157.4635 2.819278  -2.599579      3.437494  
1 1 1 -5  1  32 f 117.2734 0.9044088 7050.164   108.6832 7213.000  186.9000 6823.900   259.7000 118.5600 1.538412  115.2250 2.199514  3.334969       2.684134  
1 1 1 -5  1  33 o 78.02975 0.6563390 3120.652   52.47915 3350.300  96.60000 2847.500   114.9000 80.81844 1.166456  74.47939 1.505517  6.339058       1.904521  
1 1 1 -5  1  34 o 18.26771 0.5571372 171.1923   10.41686 174.6000  17.00000 165.8000   26.90000 18.43017 0.9029109 17.90753 1.479126  0.5226421      1.732934  
1 1 1 -5  1  35 o 58.36896 0.6630180 1746.558   39.65570 1746.200  81.10000 1746.900   77.60000 58.30931 1.357327  58.32699 1.298356  -0.1767731E-01 1.878314  
1 1 1 -5  2  1  o 184.0110 1.209010  17352.07   227.9670 17218.90  390.1000 17539.30   548.5000 183.2643 2.077303  184.9050 2.894874  -1.640747      3.563072  
1 1 1 -5  2  2  o 75.07813 0.5375271 2888.114   41.35350 3160.600  78.90000 2588.000   86.90000 78.53604 0.9804143 71.06424 1.193357  7.471802       1.544446  
1 1 1 -5  2  3  f 82.56470 0.6001809 3492.857   50.77792 3396.200  85.80000 3633.000   124.4000 81.40998 1.028517  84.19381 1.441922  -2.783829      1.771154  
1 1 1 -5  2  4  o 193.2742 1.303696  19143.76   258.1955 19034.70  437.4000 19300.90   630.2000 192.6765 2.215398  193.9441 3.171053  -1.267639      3.868277  
1 1 1 -5  2  5  o 118.6396 0.8309214 7212.270   101.0155 7300.800  178.8000 7097.300   232.2000 119.3527 1.461964  117.6639 1.925842  1.688835       2.417893  
1 1 1 -5  2  6  o 140.3358 0.8373777 10091.35   120.4171 10060.40  238.9000 10122.80   242.8000 140.0995 1.664107  140.5326 1.686061  -0.4330750     2.368977  
1 1 1 -5  2  7  o 261.7252 1.504615  35106.92   403.5239 34467.40  808.4000 35744.30   805.7000 259.2075 3.043549  263.9722 2.978631  -4.764709      4.258572  
1 1 1 -5  2  8  o 115.3534 0.8432176 6818.157   99.67090 7227.600  258.8000 6561.700   162.1000 118.7388 2.127028  113.1545 1.398018  5.584236       2.545330  
1 1 1 -5  2  9  o 295.3573 1.975255  44713.55   597.8184 45004.20  1467.200 44513.70   1008.900 296.0170 4.836980  294.5856 3.342245  1.431396       5.879368  
1 1 1 -5  2  10 o 57.66661 0.5094938 1703.833   30.10660 1885.800  75.90000 1584.200   49.90000 60.66465 1.220978  55.60405 0.8757815 5.060596       1.502591  
1 1 1 -5  2  11 o 91.60448 0.6976781 4299.494   65.48929 4365.100  157.9000 4253.000   111.9000 92.29295 1.669611  91.10467 1.198646  1.188278       2.055323  
1 1 1 -5  2  12 o 346.1961 2.287581  61427.50   811.5161 59720.40  1897.200 62703.50   1418.100 341.0792 5.428246  349.6530 3.957958  -8.573822      6.717982  
1 1 1 -5  2  13 o 124.0001 0.9121214 7878.358   115.8972 7821.200  279.3000 7918.900   198.1000 123.5333 2.206422  124.3123 1.555149  -0.7790451     2.699405  
1 1 1 -5  2  14 o 238.3351 1.624966  29108.66   396.8540 28398.10  939.1000 29628.70   687.3000 235.3082 3.894721  240.4127 2.789912  -5.104523      4.790873  
1 1 1 -5  2  15 o 213.9626 1.474678  23459.13   323.3207 23641.50  785.3000 23331.50   549.6000 214.7115 3.569290  213.3482 2.513966  1.363358       4.365760  
1 1 1 -5  2  16 o 175.4839 1.236238  15779.53   222.2991 16485.60  554.4000 15306.90   371.1000 179.3151 3.017227  172.8170 2.095589  6.498123       3.673575  
1 1 1 -5  2  17 o 150.5136 1.842032  0.000000   0.000000 ?         ?        11610.30   284.1000 ?        ?         150.5136 1.842032  0.000000       1.842032  
1 1 1 -5  2  18 o 125.7806 1.575013  0.000000   0.000000 ?         ?        8107.700   203.0000 ?        ?         125.7806 1.575013  0.000000       1.575013  
1 1 1 -5  2  19 o 295.2819 3.394844  0.000000   0.000000 ?         ?        44732.40   1027.200 ?        ?         295.2819 3.394844  0.000000       3.394844  
1 1 1 -5  2  20 o 65.65314 0.9661832 0.000000   0.000000 ?         ?        2208.700   65.00000 ?        ?         65.65314 0.9661832 0.000000       0.9661832 
1 1 1 -5  2  21 o 55.22841 0.4929112 1562.830   27.89521 1598.900  74.20000 1541.100   44.70000 55.85515 1.296410  54.84126 0.7954296 1.013889       1.520982  
1 1 1 -5  2  22 o 111.8304 0.9219584 6408.644   105.6500 6413.300  267.3000 6405.600   174.7000 111.8167 2.332887  111.7864 1.525125  0.3034210E-01  2.787179  
1 1 1 -5  2  23 o 146.4356 1.085887  10989.69   162.9407 10835.10  391.7000 11099.80   279.0000 145.3011 2.630790  147.1274 1.850599  -1.826263      3.216484  
1 1 1 -5  2  24 o 77.62424 0.6392338 3087.510   50.84585 3362.900  131.5000 2913.900   82.90000 80.99039 1.584506  75.40311 1.072919  5.587288       1.913587  
1 1 1 -5  2  25 o 82.10326 0.6765836 3454.169   56.92201 3238.200  128.8000 3625.200   102.0000 79.47292 1.581606  84.10051 1.183595  -4.627586      1.975443  
1 1 1 -5  2  26 o 132.6046 0.8523282 9011.070   115.8148 9271.100  239.0000 8766.600   224.7000 134.4601 1.734627  130.7542 1.677061  3.705887       2.412771  
1 1 1 -5  2  27 f 127.1691 0.8196116 8287.461   106.8041 8000.900  206.0000 8596.000   221.8000 124.9142 1.609374  129.4723 1.671808  -4.558098      2.320566  
1 1 1 -5  2  28 o 55.60235 0.4615768 1584.112   26.29877 1445.500  48.90000 1745.400   56.90000 53.10875 0.8985544 58.35759 0.9515169 -5.248840      1.308734  
1 1 1 -5  2  29 o 94.64424 0.6522323 4590.177   63.25500 4539.200  124.3000 4643.000   128.8000 94.09435 1.289167  95.16257 1.320843  -1.068222      1.845692  
1 1 1 -5  2  30 o 109.2600 0.7267506 6117.816   81.36639 5530.600  152.3000 6791.400   174.7000 103.8478 1.431213  115.0738 1.481557  -11.22594      2.059947  
1 1 1 -5  2  31 o 87.35100 0.6108115 3910.166   54.67307 4000.600  110.0000 3820.800   108.7000 88.32796 1.215335  86.31947 1.228917  2.008492       1.728374  
1 1 1 -5  2  32 o 91.30302 0.7371945 4272.692   68.97086 4504.200  121.0000 3965.800   160.4000 93.71017 1.260086  87.88322 1.781148  5.826950       2.181813  
1 1 1 -5  2  33 o 23.43162 0.5027118 281.3661   12.07035 266.5000  21.70000 300.0000   27.20000 22.77893 0.9316344 24.15965 1.101601  -1.380722      1.442729  
1 1 1 -5  2  34 o 98.55962 0.7850601 4980.466   79.28669 5100.700  136.9000 4815.000   188.4000 99.67550 1.340345  96.74437 1.900452  2.931129       2.325562  
1 1 1 -5  2  35 o 74.95477 0.7792339 2880.898   59.85019 2877.800  112.8000 2884.400   127.5000 74.83480 1.470981  74.89006 1.661451  -0.5525970E-01 2.219055  
1 1 1 -5  3  1  o 70.75233 0.5019617 2564.864   36.39232 3037.600  75.80000 2128.300   70.00000 76.99363 0.9607626 64.44663 1.059984  12.54700       1.430605  
1 1 1 -5  3  2  o 177.1034 1.012048  16072.45   183.6651 16307.90  375.4000 15846.90   359.6000 178.3578 2.054016  175.8215 1.995948  2.536255       2.864051  
1 1 1 -5  3  3  o 115.4879 0.7023407 6833.917   83.11560 6950.000  171.7000 6725.000   161.1000 116.4523 1.438878  114.5532 1.372429  1.899086       1.988450  
1 1 1 -5  3  4  o 63.74142 0.4208904 2081.718   27.49091 1982.800  54.00000 2184.300   56.00000 62.20636 0.8471505 65.29080 0.8370235 -3.084438      1.190912  
1 1 1 -5  3  5  o 31.83135 0.2813568 519.1380   9.177216 367.2000  14.50000 781.1000   25.00000 26.77069 0.5285792 39.04437 0.6248607 -12.27368      0.8184417 
1 1 1 -5  3  6  o 215.2803 1.215328  23749.36   268.0997 23783.30  536.8000 23715.50   535.6000 215.3782 2.432274  215.0711 2.430302  0.3071136      3.438360  
1 1 1 -5  3  7  o 90.77723 0.5686867 4222.182   52.89911 3853.400  97.60000 4658.600   115.5000 86.71824 1.098351  95.34805 1.182148  -8.629814      1.613644  
1 1 1 -5  3  8  o 176.2135 1.044594  15910.74   188.6189 15768.20  368.5000 16060.20   386.4000 175.3974 2.050293  177.0113 2.130285  -1.613892      2.956656  
1 1 1 -5  3  9  o 212.2091 1.214875  23075.31   264.1764 22100.10  503.9000 24150.00   555.3000 207.6423 2.368264  217.0533 2.496680  -9.411026      3.441233  
1 1 1 -5  3  10 o 43.51510 0.3579270 970.1800   15.96000 1002.100  33.60000 941.3000   30.40000 44.22450 0.7414433 42.86201 0.6921539 1.362492       1.014305  
1 1 1 -5  3  11 o 167.7691 0.9935609 14421.83   170.8067 13839.40  332.0000 15039.00   351.8000 164.3308 1.971609  171.3042 2.004147  -6.973404      2.811378  
1 1 1 -5  3  12 o 113.6010 0.8215513 6612.286   95.63461 6683.000  231.2000 6562.400   163.1000 114.1947 1.975803  113.1668 1.406490  1.027908       2.425286  
1 1 1 -5  3  13 f 226.4921 2.605485  0.000000   0.000000 ?         ?        26295.20   604.7000 ?        ?         226.4921 2.605485  0.000000       2.605485  
1 1 1 -5  3  14 o 263.9299 3.015345  0.000000   0.000000 ?         ?        35713.30   815.5000 ?        ?         263.9299 3.015345  0.000000       3.015345  
1 1 1 -5  3  15 o 147.8364 1.786273  0.000000   0.000000 ?         ?        11200.50   270.6000 ?        ?         147.8364 1.786273  0.000000       1.786273  
1 1 1 -5  3  16 o 402.4732 4.498857  0.000000   0.000000 ?         ?        83132.20   1855.400 ?        ?         402.4732 4.498857  0.000000       4.498857  
1 1 1 -5  3  17 o 233.7461 2.713337  0.000000   0.000000 ?         ?        28012.40   649.9000 ?        ?         233.7461 2.713337  0.000000       2.713337  
1 1 1 -5  3  18 o 193.3384 2.266870  0.000000   0.000000 ?         ?        19162.40   449.1000 ?        ?         193.3384 2.266870  0.000000       2.266870  
1 1 1 -5  3  19 o 175.3152 2.095229  0.000000   0.000000 ?         ?        15756.60   376.4000 ?        ?         175.3152 2.095229  0.000000       2.095229  
1 1 1 -5  3  20 o 145.2850 1.810255  0.000000   0.000000 ?         ?        10820.30   269.5000 ?        ?         145.2850 1.810255  0.000000       1.810255  
1 1 1 -5  3  21 o 215.2730 2.513701  0.000000   0.000000 ?         ?        23773.30   554.5000 ?        ?         215.2730 2.513701  0.000000       2.513701  
1 1 1 -5  3  22 o 157.5174 2.025294  0.000000   0.000000 ?         ?        12724.50   326.9000 ?        ?         157.5174 2.025294  0.000000       2.025294  
1 1 1 -5  3  23 o 136.0144 0.9941996 9480.811   138.5660 10359.10  365.7000 8945.000   223.1000 142.0802 2.511847  132.0864 1.648326  9.993774       3.004389  
1 1 1 -5  3  24 o 24.95720 0.4937417 319.1452   12.62682 377.5000  30.80000 278.6000   21.40000 27.11683 1.110795  23.29900 0.8980324 3.817825       1.428400  
1 1 1 -5  3  25 o 156.2392 0.9575071 12510.09   153.2958 12695.60  308.2000 12326.50   305.0000 157.3328 1.911680  155.0281 1.919954  2.304642       2.709381  
1 1 1 -5  3  26 o 69.55671 0.5002897 2479.014   35.65816 2421.900  72.90000 2533.700   69.80000 68.74233 1.034916  70.31247 0.9687790 -1.570137      1.417598  
1 1 1 -5  3  27 o 76.28385 0.5610111 2981.794   43.85332 2749.000  78.60000 3275.600   99.20000 73.23631 1.047364  79.93899 1.211029  -6.702682      1.601113  
1 1 1 -5  3  28 o 94.80399 0.6423321 4605.600   62.40000 4705.600  124.8000 4505.600   124.8000 95.80687 1.271217  93.74754 1.299141  2.059334       1.817625  
1 1 1 -5  3  29 o 55.26384 0.4738973 1564.921   26.83636 1733.500  57.40000 1416.900   50.40000 58.15555 0.9632131 52.57796 0.9354669 5.577587       1.342713  
1 1 1 -5  3  30 o 234.1111 1.369976  28107.24   328.6497 27947.70  657.9000 28266.50   656.7000 233.1146 2.754178  234.4470 2.733531  -1.332397      3.880424  
1 1 1 -5  3  31 o 84.70206 0.5932457 3676.628   51.49049 3747.600  101.6000 3603.700   104.4000 85.48976 1.159795  83.82900 1.215368  1.660759       1.679954  
1 1 1 -5  3  32 o 127.5119 0.8219641 8334.757   107.3994 8209.300  214.3000 8460.800   215.3000 126.4496 1.653889  128.3747 1.636689  -1.925102      2.326822  
1 1 1 -5  3  33 o 11.85941 0.6815247 72.33091   8.247272 112.6000  16.80000 33.50000   16.20000 14.77344 1.118060  7.917686 1.997240  6.855755       2.288892  
1 1 1 -5  3  34 o 3.654047 1.471419  3.016667   8.458333 -3.900000 14.50000 12.70000   20.30000 4.089551 1.796379  6.067832 2.328074  -1.978281      2.940562  
1 1 1 -5  3  35 o 55.84243 1.335152  0.000000   0.000000 ?         ?        1601.800   76.40000 ?        ?         55.84243 1.335152  0.000000       1.335152  
1 1 1 -5  4  1  o 247.6092 1.631424  31419.96   413.9349 32045.90  1032.800 31001.30   690.8000 249.9111 4.033039  245.9005 2.741540  4.010544       4.876622  
1 1 1 -5  4  2  o 240.0117 1.349432  29519.30   331.8806 30643.10  685.0000 28463.10   643.8000 244.4741 2.734383  235.6215 2.666476  8.852600       3.819286  
1 1 1 -5  4  3  o 192.3586 1.099349  18960.06   216.6934 18970.60  431.0000 18949.40   435.8000 192.3804 2.186342  192.2719 2.211938  0.1085052      3.110106  
1 1 1 -5  4  4  o 166.4000 0.9661790 14187.68   164.7439 14667.70  342.3000 13742.30   317.6000 169.1691 1.974639  163.7479 1.892807  5.421143       2.735309  
1 1 1 -5  4  5  o 185.8202 1.061974  17692.78   202.2111 17798.10  407.8000 17589.20   401.1000 186.3451 2.135654  185.2490 2.112994  1.096054       3.004291  
1 1 1 -5  4  6  o 311.2495 1.744597  49646.86   556.4192 50180.70  1124.100 49123.60   1101.800 312.8024 3.507006  309.4930 3.474191  3.309418       4.936506  
1 1 1 -5  4  7  o 157.8961 0.9406298 12774.39   152.1909 12554.80  298.5000 13002.80   310.5000 156.5181 1.861150  159.2853 1.902337  -2.767166      2.661347  
1 1 1 -5  4  8  o 251.3305 1.421155  32368.30   366.0034 33647.70  762.1000 31186.10   704.2000 256.1921 2.903005  246.6486 2.786243  9.543503       4.023753  
1 1 1 -5  4  9  o 30.14067 0.3293723 465.4547   10.17275 464.3000  22.60000 466.4000   18.50000 30.10283 0.7326604 30.17101 0.5983888 -0.6818199E-01 0.9459706 
1 1 1 -5  4  10 o 175.4927 1.244905  15780.87   223.8689 14262.10  481.5000 17100.60   418.4000 166.7990 2.817114  182.6626 2.235340  -15.86362      3.596231  
1 1 1 -5  4  11 o 262.5023 1.741147  35312.16   468.3461 34228.30  1107.000 36107.00   811.8000 258.3153 4.182146  265.3871 2.985182  -7.071838      5.138254  
1 1 1 -5  4  12 o 279.6894 1.856194  40089.20   531.9830 40284.60  1291.900 39952.40   904.4000 280.2021 4.499447  279.1465 3.161768  1.055603       5.499255  
1 1 1 -5  4  13 o 168.4633 1.176784  14541.98   203.1423 14575.20  490.6000 14518.50   346.7000 168.6139 2.839461  168.3107 2.010221  0.3032074      3.479012  
1 1 1 -5  4  14 o 93.51826 0.7008188 4481.032   67.15843 4121.900  149.4000 4774.300   122.0000 89.68489 1.625672  96.52606 1.233437  -6.841171      2.040631  
1 1 1 -5  4  15 o 187.9342 1.282905  18098.44   247.0579 17474.90  589.5000 18548.30   425.3000 184.6048 3.116322  190.2303 2.181813  -5.625412      3.804178  
1 1 1 -5  4  16 o 217.4264 2.506758  0.000000   0.000000 ?         ?        24235.40   558.5000 ?        ?         217.4264 2.506758  0.000000       2.506758  
1 1 1 -5  4  17 o 109.9840 1.440980  0.000000   0.000000 ?         ?        6199.100   162.4000 ?        ?         109.9840 1.440980  0.000000       1.440980  
1 1 1 -5  4  18 o 47.73580 0.7993448 0.000000   0.000000 ?         ?        1167.600   39.10000 ?        ?         47.73580 0.7993448 0.000000       0.7993448 
1 1 1 -5  4  19 o 231.4905 2.668952  0.000000   0.000000 ?         ?        27487.30   633.1000 ?        ?         231.4905 2.668952  0.000000       2.668952  
1 1 1 -5  4  20 o 129.6501 0.9489584 8613.718   126.0720 8924.100  315.0000 8406.600   210.2000 131.9070 2.330473  128.0611 1.601832  3.845917       2.827892  
1 1 1 -5  4  21 o 147.5947 1.057702  11164.04   159.9677 11314.10  383.2000 11056.50   274.6000 148.4942 2.518358  146.8448 1.824919  1.649460       3.110058  
1 1 1 -5  4  22 o 63.74502 0.5619149 2082.071   36.70415 1750.300  75.20000 2398.400   71.70000 58.43673 1.255838  68.40997 1.022825  -9.973248      1.619660  
1 1 1 -5  4  23 o 150.0635 1.089082  11541.32   167.4687 11837.40  414.5000 11340.60   281.0000 151.8568 2.663741  148.7090 1.844041  3.147751       3.239754  
1 1 1 -5  4  24 o 150.9956 1.082599  11685.31   167.5060 11314.60  388.1000 11966.80   294.7000 148.4696 2.550984  152.7524 1.882755  -4.282776      3.170534  
1 1 1 -5  4  25 o 4.044303 1.611389  4.156935   10.03358 -5.300000 23.70000 11.10000   17.40000 5.291450 2.311161  5.651024 2.158559  -0.3595748     3.162410  
1 1 1 -5  4  26 o 92.48897 0.7067168 4383.461   66.97824 4307.700  166.4000 4434.500   112.1000 91.64775 1.771875  93.01277 1.176155  -1.365021      2.126707  
1 1 1 -5  4  27 o 93.36958 0.7104920 4467.403   67.97715 4565.300  164.0000 4398.100   116.1000 94.34824 1.696335  92.62659 1.223202  1.721649       2.091357  
1 1 1 -5  4  28 o 110.2964 0.8327219 6234.657   94.11518 6060.600  214.0000 6371.300   168.0000 108.6801 1.921610  111.4654 1.470858  -2.785324      2.419919  
1 1 1 -5  4  29 o 96.21469 0.6679295 4743.971   65.85222 4700.200  129.3000 4789.400   134.2000 95.74082 1.317962  96.64278 1.355142  -0.9019547     1.890353  
1 1 1 -5  4  30 f 59.56063 0.4619338 1817.774   28.19275 1684.000  53.50000 1966.800   59.60000 57.31711 0.9109009 61.94224 0.9389900 -4.625134      1.308221  
1 1 1 -5  4  31 o 14.36723 0.5682731 105.9473   8.349700 130.4000  16.60000 81.20000   16.80000 15.91487 1.023327  12.51108 1.330834  3.403790       1.678785  
1 1 1 -5  4  32 o 91.09464 0.6267031 4253.100   58.49961 4350.900  117.3000 4155.800   116.7000 92.08895 1.243060  89.99832 1.265430  2.090630       1.773841  
1 1 1 -5  4  33 o 59.82615 0.5512322 1834.417   33.79279 1883.800  58.40000 1766.600   80.20000 60.60639 0.9403642 58.66143 1.334207  1.944954       1.632297  
1 1 1 -5  4  34 o 59.51730 0.5324454 1815.608   32.47257 1962.200  58.30000 1631.300   73.30000 61.84972 0.9198826 56.36476 1.269106  5.484962       1.567423  
1 1 1 -5  5  1  o 198.0788 1.110953  20103.92   225.4924 21149.20  477.2000 19167.50   427.5000 203.1353 2.292538  193.3883 2.157286  9.747086       3.147954  
1 1 1 -5  5  2  o 73.99304 0.4691917 2805.154   35.57456 2875.400  71.40000 2735.400   70.90000 74.91213 0.9301386 73.06561 0.9469671 1.846527       1.327368  
1 1 1 -5  5  3  o 79.32668 0.4934432 3224.141   40.11020 3345.100  84.20000 3114.100   76.60000 80.79884 1.016971  77.95940 0.9588747 2.839432       1.397738  
1 1 1 -5  5  4  f 308.0956 1.703394  48643.48   537.7730 47476.20  1055.100 49856.90   1096.800 304.2884 3.383841  311.8208 3.432606  -7.532440      4.820079  
1 1 1 -5  5  5  o 396.0176 2.171874  80377.75   881.3480 79389.90  1753.000 81376.60   1772.500 393.3878 4.348732  398.2802 4.343092  -4.892426      6.146049  
1 1 1 -5  5  6  o 233.7314 1.543020  27994.46   369.5617 27274.90  881.2000 28514.20   636.5000 230.6184 3.728912  235.8549 2.633632  -5.236481      4.565173  
1 1 1 -5  5  7  o 53.59198 0.4444638 1471.546   24.40814 1316.600  53.20000 1602.900   45.10000 50.69059 1.024203  55.93195 0.7868976 -5.241364      1.291588  
1 1 1 -5  5  8  o 146.7061 1.011532  11027.97   152.0640 10593.40  352.9000 11357.00   267.2000 143.7632 2.395552  148.8681 1.751606  -5.104950      2.967624  
1 1 1 -5  5  9  o 261.8848 1.734656  35146.49   465.5025 33567.30  1068.100 36366.40   825.1000 255.8102 4.074700  266.3329 3.023314  -10.52274      5.073816  
1 1 1 -5  5  10 o 78.55363 0.6471807 3161.654   52.09430 2757.300  120.1000 3471.400   92.00000 73.35287 1.597819  82.30935 1.090788  -8.956482      1.934643  
1 1 1 -5  5  11 o 290.7900 1.920237  43336.00   572.1801 40112.80  1272.300 45970.20   1039.800 279.5974 4.440768  299.4091 3.389116  -19.81180      5.586280  
1 1 1 -5  5  12 o 163.1198 1.142394  13634.11   190.9506 13642.30  465.0000 13628.40   324.0000 163.1269 2.781820  163.0697 1.938981  0.5726624E-01  3.390895  
1 1 1 -5  5  13 o 333.9535 2.171108  57162.84   742.9606 58345.30  1831.400 56355.70   1250.100 337.0557 5.302530  331.4633 3.680535  5.592377       6.454701  
1 1 1 -5  5  14 o 80.65234 0.6321213 3332.869   52.24152 3449.200  135.3000 3259.700   85.10000 82.03954 1.609445  79.75960 1.041234  2.279945       1.916894  
1 1 1 -5  5  15 o 106.9545 0.7927863 5861.313   86.88675 6084.900  219.3000 5714.600   143.9000 108.9571 1.964196  105.6012 1.329822  3.355896       2.372023  
1 1 1 -5  5  16 f 130.1018 0.9310245 8673.237   124.1203 8248.100  283.8000 9003.700   220.6000 126.8428 2.183475  132.5428 1.624243  -5.699974      2.721347  
1 1 1 -5  5  17 o 173.2938 1.020805  15388.62   181.2693 15989.10  378.7000 14837.30   347.7000 176.6000 2.092697  170.1252 1.994517  6.474777       2.890930  
1 1 1 -5  5  18 o 177.1169 1.038545  16075.65   188.4881 16082.50  380.0000 16068.90   374.0000 177.1047 2.093896  177.0318 2.061683  0.7287598E-01  2.938527  
1 1 1 -5  5  19 o 29.98271 0.4158612 460.6017   12.77667 562.7000  30.10000 385.3000   22.20000 33.12559 0.8875566 27.40985 0.7912298 5.715733       1.189034  
1 1 1 -5  5  20 o 185.2820 1.112658  17593.92   211.2483 17175.10  414.6000 18029.00   430.7000 182.9842 2.211145  187.4747 2.241991  -4.490509      3.148918  
1 1 1 -5  5  21 o 46.14976 0.4764365 1091.271   22.53060 1246.600  60.50000 999.1000   35.90000 49.31733 1.197174  44.15554 0.7934341 5.161785       1.436233  
1 1 1 -5  5  22 o 161.3895 1.127604  13349.61   186.4792 13193.80  442.7000 13463.00   322.2000 160.3150 2.694864  162.0188 1.940715  -1.703781      3.320944  
1 1 1 -5  5  23 f 32.76757 0.4588445 550.1523   15.40665 653.2000  41.80000 490.0000   24.40000 35.68078 1.144738  30.92267 0.7700421 4.758112       1.379634  
1 1 1 -5  5  24 o 84.20734 0.6893706 3633.543   59.48412 3766.900  143.3000 3538.900   101.7000 85.71053 1.631600  83.09155 1.194444  2.618980       2.022081  
1 1 1 -5  5  25 o 126.1621 0.9315287 8157.313   120.4269 8229.500  290.5000 8106.200   205.7000 126.6351 2.238688  125.7324 1.596573  0.9027023      2.749686  
1 1 1 -5  5  26 o 85.77746 1.868106  3774.300   164.2000 3774.300  164.2000 ?          ?        85.77746 1.868106  ?        ?         0.000000       1.868106  
1 1 1 -5  5  27 o 52.44992 0.5109398 1409.623   27.46078 1204.000  56.20000 1606.100   53.70000 48.46394 1.131669  55.97919 0.9361584 -7.515247      1.468695  
1 1 1 -5  5  28 o 131.6444 0.9599582 8882.977   129.4951 8858.500  317.9000 8899.800   218.5000 131.3214 2.362417  131.7173 1.618864  -0.3958130     2.863867  
1 1 1 -5  5  29 o 66.47608 0.5552302 2264.502   37.82133 2137.900  87.70000 2360.500   66.50000 64.56547 1.325565  67.85922 0.9563445 -3.293755      1.634539  
1 1 1 -5  5  30 o 39.00027 0.4482941 779.4018   17.91550 796.3000  41.20000 766.4000   31.70000 39.39657 1.021426  38.66797 0.8000359 0.7285957      1.297447  
1 1 1 -5  5  31 o 19.14272 0.5206007 187.9290   10.20242 134.2000  22.90000 231.1000   18.40000 16.11062 1.401074  21.21486 0.8481162 -5.104240      1.637776  
1 1 1 -5  5  32 o 58.23985 0.5350739 1738.365   31.93246 1791.700  56.00000 1667.600   74.30000 59.10872 0.9245664 57.00188 1.272041  2.106838       1.572550  
1 1 1 -5  5  33 o 106.8877 0.8072693 5858.591   88.41878 5796.600  153.2000 5943.200   209.1000 106.2286 1.407404  107.4498 1.899110  -1.221199      2.363769  
1 1 1 -5  5  34 o 53.57692 1.372703  0.000000   0.000000 ?         ?        1475.800   75.30000 ?        ?         53.57692 1.372703  0.000000       1.372703  
1 1 1 -5  6  1  o 264.3274 1.522300  35803.64   412.3260 36026.00  1154.500 35680.10   641.4000 264.9922 4.251698  263.8386 2.372424  1.153687       4.868812  
1 1 1 -5  6  2  f 200.3419 1.324319  20566.87   271.8710 21724.00  681.3000 19798.50   452.4000 205.8348 3.230139  196.5401 2.246327  9.294678       3.934436  
1 1 1 -5  6  3  o 71.72512 0.5705721 2635.854   41.93534 2952.600  103.5000 2420.100   70.50000 75.90839 1.330614  68.72527 1.001093  7.183121       1.665149  
1 1 1 -5  6  4  o 121.0094 0.8230494 7502.884   102.0571 7454.700  243.3000 7537.700   175.8000 120.6059 1.968681  121.2839 1.414547  -0.6779709     2.424180  
1 1 1 -5  6  5  o 229.6794 1.498993  27032.46   352.7931 27352.40  857.7000 26808.90   599.3000 230.9406 3.624405  228.6910 2.557389  2.249557       4.435826  
1 1 1 -5  6  6  o 367.3908 2.371775  69184.63   892.8945 66369.10  2058.300 71341.80   1577.000 359.4900 5.587577  372.9137 4.126909  -13.42374      6.946394  
1 1 1 -5  6  7  o 104.9788 0.7591053 5646.645   81.65859 5432.600  186.6000 5813.200   145.2000 102.9598 1.768665  106.5109 1.330376  -3.551109      2.213160  
1 1 1 -5  6  8  o 318.0329 2.079540  51839.46   677.7004 49461.50  1562.800 53660.20   1196.600 310.4107 4.913244  323.4588 3.610203  -13.04810      6.097010  
1 1 1 -5  6  9  o 131.0459 0.9219775 8799.239   123.8061 7888.900  278.8000 9526.400   222.7000 124.0620 2.193085  136.3438 1.593994  -12.28172      2.711169  
1 1 1 -5  6  10 o 43.37516 0.4439221 963.9575   19.73087 1005.000  47.60000 934.9000   33.70000 44.28724 1.048890  42.71569 0.7699172 1.571545       1.301131  
1 1 1 -5  6  11 o 219.9274 1.471166  24786.31   331.5426 24874.80  814.8000 24725.60   559.0000 220.2116 3.610874  219.6182 2.483963  0.5934296      4.382748  
1 1 1 -5  6  12 o 152.1368 1.057368  11859.97   164.8386 11089.50  386.9000 12431.90   287.2000 147.0735 2.567237  155.7460 1.799571  -8.672562      3.135150  
1 1 1 -5  6  13 o 78.28230 0.5231575 3139.845   41.96569 3239.000  85.20000 3043.600   82.70000 79.50523 1.045792  77.06975 1.047184  2.435478       1.479959  
1 1 1 -5  6  14 o 186.6768 1.091052  17857.20   208.7057 19092.30  449.1000 16784.90   389.9000 192.9772 2.271112  180.9490 2.102804  12.02826       3.095115  
1 1 1 -5  6  15 o 132.5371 0.7975307 9000.830   108.3136 9067.500  223.8000 8938.300   209.9000 133.0075 1.642047  132.0592 1.551120  0.9482574      2.258825  
1 1 1 -5  6  16 o 194.8381 1.113173  19453.83   222.2465 20222.00  465.5000 18752.00   425.3000 198.5821 2.287606  191.2364 2.170333  7.345688       3.153329  
1 1 1 -5  6  17 o 169.6127 1.004074  14742.45   174.5108 14821.20  352.2000 14665.10   345.9000 170.0145 2.021646  169.1185 1.996002  0.8959961      2.840964  
1 1 1 -5  6  18 o 212.7475 1.255775  23198.06   273.7629 23627.60  565.0000 22794.30   531.1000 214.5865 2.569494  210.7817 2.458923  3.804764       3.556488  
1 1 1 -5  6  19 o 268.2060 1.527758  36877.53   419.8763 36696.00  833.5000 37061.80   846.1000 267.3112 3.042917  268.6338 3.073708  -1.322662      4.325162  
1 1 1 -5  6  20 o 79.83321 0.5518377 3265.658   45.14330 3339.800  91.40000 3193.300   89.20000 80.72453 1.104949  78.93423 1.102811  1.790291       1.561123  
1 1 1 -5  6  21 o 115.6637 0.7226446 6855.298   85.64857 6879.000  170.6000 6831.400   172.0000 115.8383 1.437237  115.4360 1.454081  0.4022598      2.044506  
1 1 1 -5  6  22 o 103.2702 0.6499072 5464.779   68.77410 5253.500  131.4000 5696.800   144.3000 101.2366 1.266657  105.4186 1.335828  -4.181992      1.840885  
1 1 1 -5  6  23 o 166.8066 0.9881940 14260.21   168.9094 14173.40  334.6000 14348.70   341.1000 166.2240 1.964418  167.2461 1.990340  -1.022141      2.796496  
1 1 1 -5  6  24 o 22.44222 0.4431835 258.0645   10.19173 219.8000  18.70000 303.9000   22.40000 20.69084 0.8840305 24.33475 0.8998528 -3.643908      1.261446  
1 1 1 -5  6  25 o 82.73445 0.5543112 3507.425   46.99356 3522.200  92.90000 3492.300   95.10000 82.89549 1.093670  82.54190 1.124366  0.3535919      1.568539  
1 1 1 -5  6  26 o 91.74252 0.6975842 4313.159   65.57913 4020.600  141.4000 4566.200   122.3000 88.54159 1.558489  94.37400 1.264666  -5.832413      2.007054  
1 1 1 -5  6  27 o 108.5674 0.8212267 6040.953   91.36104 6377.500  219.5000 5801.000   156.5000 111.4715 1.921641  106.3547 1.436017  5.116829       2.398927  
1 1 1 -5  6  28 o 110.6957 0.8236286 6280.472   93.42442 6746.400  231.8000 5965.900   156.5000 114.6265 1.973467  107.8483 1.416128  6.778229       2.428990  
1 1 1 -5  6  29 o 13.57742 0.6998235 94.73162   9.703676 105.9000  24.90000 87.60000   15.90000 14.25748 1.740376  13.01392 1.206033  1.243565       2.117410  
1 1 1 -5  6  30 o 49.99965 0.4722118 1281.095   24.19369 1423.400  61.70000 1189.300   39.80000 52.68024 1.142981  48.16663 0.8063776 4.513615       1.398803  
1 1 1 -5  6  31 o 123.8034 0.9087738 7859.744   115.2887 7754.600  262.3000 7942.200   205.7000 122.7467 2.085402  124.3355 1.614511  -1.588707      2.637337  
1 1 1 -5  6  32 f 35.53006 0.5053277 646.9979   18.39786 581.0000  32.50000 733.1000   42.40000 33.64225 0.9436898 37.78157 1.096345  -4.139317      1.446555  
1 1 1 -5  6  33 o 57.44326 0.6322296 1691.635   37.21451 1720.000  73.20000 1662.300   75.70000 57.87419 1.234320  56.88825 1.298599  0.9859390      1.791620  
1 1 1 -5  7  1  o 202.7421 1.860885  0.000000   0.000000 ?         ?        21066.30   386.6000 ?        ?         202.7421 1.860885  0.000000       1.860885  
1 1 1 -5  7  2  o 224.4290 2.484202  0.000000   0.000000 ?         ?        25820.20   571.3000 ?        ?         224.4290 2.484202  0.000000       2.484202  
1 1 1 -5  7  3  o 278.0555 1.796231  39623.55   511.7903 37828.50  1178.600 41001.30   904.6000 271.5102 4.236253  282.7680 3.121964  -11.25784      5.262366  
1 1 1 -5  7  4  o 115.4906 0.7922291 6834.173   93.75534 6760.400  223.7000 6887.400   161.4000 114.8505 1.900792  115.9333 1.358617  -1.082764      2.336418  
1 1 1 -5  7  5  o 413.9764 2.649019  87860.04   1123.723 83279.00  2573.700 91410.30   1994.600 402.4672 6.240639  421.9895 4.612707  -19.52231      7.760325  
1 1 1 -5  7  6  o 124.5154 0.8677400 7944.092   110.7162 7720.500  256.5000 8113.900   194.8000 122.7315 2.039543  125.8303 1.510794  -3.098854      2.538156  
1 1 1 -5  7  7  o 267.6103 1.755989  36702.88   481.5296 37824.80  1192.200 35942.70   807.8000 271.4745 4.285699  264.7525 2.977594  6.722046       5.218551  
1 1 1 -5  7  8  o 229.5729 1.534122  27009.05   360.8933 26896.00  885.0000 27086.90   609.4000 228.9595 3.772126  229.8549 2.587321  -0.8953857     4.574184  
1 1 1 -5  7  9  o 183.8595 1.073360  17321.77   202.2227 17713.70  420.7000 16959.00   389.4000 185.8921 2.208580  181.8938 2.089198  3.998291       3.040160  
1 1 1 -5  7  10 o 80.57245 0.5217986 3326.249   43.08121 3360.500  88.00000 3293.400   84.40000 80.98233 1.060459  80.17006 1.027382  0.8122711      1.476512  
1 1 1 -5  7  11 o 99.80569 0.6317040 5103.882   64.60518 5145.300  133.6000 5065.100   125.1000 100.2018 1.301166  99.41892 1.227976  0.7828293      1.789122  
1 1 1 -5  7  12 o 341.8323 1.902909  59898.16   666.5449 59837.40  1336.800 59958.60   1329.400 341.3979 3.821265  341.7481 3.796219  -0.3501282     5.386404  
1 1 1 -5  7  13 o 210.6618 1.202090  22742.47   259.4903 23326.30  538.3000 22199.10   501.0000 213.2718 2.463160  208.0638 2.349864  5.207932       3.404265  
1 1 1 -5  7  14 o 96.11158 0.6042553 4733.123   59.51062 4598.400  117.2000 4872.100   120.9000 94.72472 1.207441  97.50297 1.210069  -2.778244      1.709439  
1 1 1 -5  7  15 o 96.69235 0.6070684 4790.546   60.14896 4719.000  120.8000 4861.500   119.8000 95.95654 1.228553  97.39524 1.200385  -1.438705      1.717634  
1 1 1 -5  7  16 o 82.63485 0.5662000 3498.863   47.94370 3353.400  94.80000 3647.700   97.00000 80.88967 1.143713  84.36502 1.122047  -3.475349      1.602207  
1 1 1 -5  7  17 o 141.7258 0.8509946 10293.10   123.5873 9893.800  236.8000 10729.00   258.5000 138.9132 1.663565  144.6527 1.743957  -5.739441      2.410152  
1 1 1 -5  7  18 o 123.5803 0.7450734 7825.856   94.35103 7861.500  193.1000 7791.800   184.5000 123.8320 1.521777  123.2849 1.460455  0.5471344      2.109202  
1 1 1 -5  7  19 o 182.9041 1.086427  17145.89   203.6209 16475.90  392.1000 17869.70   423.6000 179.2096 2.135194  186.6268 2.215050  -7.417221      3.076605  
1 1 1 -5  7  20 o 148.9456 0.8933297 11369.12   136.3446 11461.90  278.3000 11280.00   267.3000 149.4965 1.816702  148.3101 1.758854  1.186432       2.528631  
1 1 1 -5  7  21 o 133.8369 0.8111577 9179.281   111.2448 9817.500  238.1000 8619.600   208.8000 138.3651 1.679324  129.6562 1.571589  8.708908       2.300004  
1 1 1 -5  7  22 o 118.8687 0.7304859 7240.666   88.97697 7425.100  183.2000 7066.500   173.0000 120.3404 1.485647  117.4011 1.438055  2.939270       2.067643  
1 1 1 -5  7  23 o 48.47557 0.4282712 1204.042   21.27356 1215.200  42.20000 1192.700   42.90000 48.69519 0.8457229 48.24195 0.8678287 0.4532318      1.211765  
1 1 1 -5  7  24 o 138.8693 0.8426279 9883.202   119.9059 9960.200  244.5000 9809.100   235.3000 139.3507 1.712266  138.2942 1.660426  1.056473       2.385135  
1 1 1 -5  7  25 o 2.986002 1.382131  -8.555555  10.00000 -23.80000 18.00000 10.50000   22.50000 3.652721 1.740513  6.135282 2.423090  -2.482561      2.983413  
1 1 1 -5  7  26 o 73.22832 0.4998710 2747.770   37.50899 2771.500  76.60000 2725.000   73.50000 73.52959 1.016642  72.91134 0.9837708 0.6182556      1.414697  
1 1 1 -5  7  27 o 72.35133 0.5143206 2682.430   38.13106 2598.200  74.60000 2770.500   78.00000 71.19012 1.022635  73.51216 1.035469  -2.322037      1.455328  
1 1 1 -5  7  28 o 42.75704 0.3865274 936.7606   16.93505 925.7000  31.30000 949.8000   36.90000 42.49846 0.7187416 43.04538 0.8365684 -0.5469208     1.102922  
1 1 1 -5  7  29 o 23.13584 0.4268795 274.2877   10.12020 206.0000  19.20000 350.4000   21.40000 20.02219 0.9384286 26.13224 0.8001118 -6.110046      1.233218  
1 1 1 -5  7  30 o 38.47556 0.3766160 758.5858   14.84848 795.0000  30.00000 722.9000   29.40000 39.37949 0.7434518 37.55073 0.7640656 1.828758       1.066075  
1 1 1 -5  7  31 o 40.01217 0.4584129 820.4886   18.79521 909.2000  37.00000 728.9000   38.20000 42.10517 0.8575667 37.68084 0.9901956 4.424335       1.309927  
1 1 1 -5  7  32 o 32.84765 0.5477126 553.0652   18.43552 727.4000  41.30000 412.5000   33.30000 37.63101 1.072133  28.32266 1.149782  9.308348       1.572091  
1 1 1 -5  8  1  o 276.2376 2.489916  0.000000   0.000000 ?         ?        39126.40   704.8000 ?        ?         276.2376 2.489916  0.000000       2.489916  
1 1 1 -5  8  2  o 269.2005 2.424499  0.000000   0.000000 ?         ?        37156.50   668.8000 ?        ?         269.2005 2.424499  0.000000       2.424499  
1 1 1 -5  8  3  o 264.5118 2.921642  0.000000   0.000000 ?         ?        35885.20   791.9000 ?        ?         264.5118 2.921642  0.000000       2.921642  
1 1 1 -5  8  4  o 333.5356 3.664104  0.000000   0.000000 ?         ?        57092.70   1252.300 ?        ?         333.5356 3.664104  0.000000       3.664104  
1 1 1 -5  8  5  o 118.4551 0.8190717 7189.735   99.42004 6936.300  230.2000 7382.400   175.0000 116.3258 1.931216  120.0213 1.422923  -3.695496      2.398813  
1 1 1 -5  8  6  o 115.2075 0.6946666 6800.768   82.00788 6951.400  169.7000 6659.900   158.7000 116.4645 1.421969  113.9977 1.358571  2.466721       1.966649  
1 1 1 -5  8  7  o 125.8182 0.7575613 8111.291   97.66962 7902.800  193.9000 8322.900   196.8000 124.1754 1.523855  127.4337 1.507102  -3.258209      2.143243  
1 1 1 -5  8  8  o 159.9066 0.9273627 13102.58   151.9548 13282.60  312.7000 12932.40   295.6000 160.9688 1.895780  158.8361 1.816172  2.132690       2.625350  
1 1 1 -5  8  9  o 212.4765 1.206714  23136.13   262.7324 23107.10  529.8000 23164.70   521.2000 212.2679 2.435731  212.5357 2.393173  -0.2678528     3.414683  
1 1 1 -5  8  10 o 159.5994 0.9208153 13052.52   150.5921 13150.90  305.7000 12957.00   296.8000 160.1638 1.862656  158.9807 1.821885  1.183090       2.605524  
1 1 1 -5  8  11 o 71.79572 0.4885577 2641.101   35.94288 2555.100  69.80000 2732.400   74.10000 70.61254 0.9646621 73.02103 0.9903116 -2.408493      1.382494  
1 1 1 -5  8  12 o 118.7326 0.7139658 7223.604   86.86515 7303.900  175.6000 7145.000   171.9000 119.3714 1.435575  118.0663 1.420861  1.305107       2.019833  
1 1 1 -5  8  13 o 214.8353 1.216937  23655.27   267.8997 23315.20  535.2000 23996.10   536.4000 213.1745 2.450093  216.2685 2.420456  -3.093964      3.444062  
1 1 1 -5  8  14 o 100.9171 0.6327178 5218.453   65.42943 5339.500  135.3000 5105.100   126.7000 102.0644 1.293675  99.80070 1.238924  2.263664       1.791237  
1 1 1 -5  8  15 o 132.1847 0.7930950 8953.747   107.4249 9127.800  215.1000 8780.100   214.6000 133.4299 1.573218  130.8624 1.600356  2.567535       2.244138  
1 1 1 -5  8  16 o 145.0881 0.8546911 10787.50   127.0689 10396.00  244.9000 11209.70   264.1000 142.3894 1.678467  147.8522 1.743180  -5.462891      2.419902  
1 1 1 -5  8  17 o 103.6225 0.6629449 5502.146   70.39304 5486.800  139.4000 5517.800   142.2000 103.4584 1.314919  103.7493 1.337569  -0.2909393     1.875660  
1 1 1 -5  8  18 o 58.92950 0.4335648 1779.340   26.18093 1616.500  50.30000 1956.100   54.60000 56.16334 0.8740106 61.78199 0.8624469 -5.618656      1.227888  
1 1 1 -5  8  19 o 59.24148 0.4286214 1798.231   26.01945 1712.900  49.30000 1893.600   55.10000 57.81416 0.8321744 60.78635 0.8846003 -2.972198      1.214509  
1 1 1 -5  8  20 o 158.5725 0.9346545 12886.93   151.8719 13137.90  313.7000 12651.40   294.4000 160.0354 1.912934  157.0525 1.829340  2.982925       2.646847  
1 1 1 -5  8  21 o 17.38550 0.5432954 155.0285   9.666924 161.2000  21.30000 149.9000   17.70000 17.69408 1.181542  17.07147 1.016423  0.6226139      1.558575  
1 1 1 -5  8  22 o 71.87149 0.5040575 2646.809   37.12231 2814.800  77.80000 2493.500   71.00000 74.10629 1.024534  69.74949 0.9933880 4.356796       1.427056  
1 1 1 -5  8  23 o 62.45380 0.4646790 1998.597   29.73790 1945.000  58.30000 2054.400   60.70000 61.60252 0.9235741 63.31099 0.9356453 -1.708473      1.314694  
1 1 1 -5  8  24 o 40.34274 0.3921434 833.9333   16.21096 772.5000  29.10000 911.2000   36.60000 38.82479 0.7314514 42.16457 0.8471006 -3.339779      1.119196  
1 1 1 -5  8  25 o 127.5596 0.7774538 8339.409   101.6216 8560.800  206.7000 8125.300   199.9000 129.1781 1.561541  125.8507 1.550097  3.327431       2.200275  
1 1 1 -5  8  26 o 77.48767 0.5540201 3076.938   43.99025 2903.400  83.80000 3268.700   92.60000 75.24979 1.086777  79.84093 1.131845  -4.591133      1.569126  
1 1 1 -5  8  27 o 47.96786 0.3931290 1179.017   19.32341 1197.300  38.30000 1160.400   39.00000 48.33022 0.7733598 47.57888 0.7999300 0.7513390      1.112643  
1 1 1 -5  8  28 o 68.06329 0.5025429 2374.085   35.04971 2351.500  69.90000 2396.800   70.30000 67.71475 1.007385  68.36413 1.003526  -0.6493759     1.421932  
1 1 1 -5  8  29 o 87.97186 0.5989510 3966.762   53.99250 3941.400  105.4000 3993.400   110.7000 87.63854 1.173673  88.20853 1.224725  -0.5699844     1.696308  
1 1 1 -5  8  30 o 34.45177 0.3988918 608.2582   14.08202 651.6000  23.70000 544.8000   34.70000 35.65157 0.6487409 32.56755 1.041128  3.084019       1.226708  
1 1 1 -5  8  31 o 42.13482 0.4328858 909.8723   18.69015 857.2000  30.90000 990.5000   47.30000 40.88545 0.7375498 43.93002 1.050755  -3.044571      1.283770  
1 1 1 -5  9  1  o 128.8821 1.066133  0.000000   0.000000 ?         ?        8512.400   140.8000 ?        ?         128.8821 1.066133  0.000000       1.066133  
1 1 1 -5  9  2  o 88.52260 1.056119  0.000000   0.000000 ?         ?        4015.800   95.80000 ?        ?         88.52260 1.056119  0.000000       1.056119  
1 1 1 -5  9  3  o 102.8067 0.6523600 5415.616   68.72381 5394.400  196.8000 5427.000   105.6000 102.5741 1.872360  102.9089 1.001412  -0.3348312     2.123336  
1 1 1 -5  9  4  o 89.33038 0.5851156 4088.804   53.55984 4061.300  156.6000 4103.100   81.40000 89.00634 1.717008  89.48244 0.8877450 -0.4760971     1.932928  
1 1 1 -5  9  5  o 82.40824 0.6408067 3479.733   54.11231 3641.500  147.7000 3386.200   85.40000 84.28040 1.710234  81.28785 1.025260  2.992554       1.994005  
1 1 1 -5  9  6  o 143.8130 0.8249884 10598.07   121.5750 10445.20  243.1000 10751.00   243.2000 142.7408 1.662029  144.8163 1.638882  -2.075577      2.334153  
1 1 1 -5  9  7  o 190.0681 1.082995  18513.96   210.9280 17868.40  413.0000 19187.80   431.1000 186.6532 2.159316  193.4202 2.175093  -6.767029      3.064911  
1 1 1 -5  9  8  o 178.8498 1.012574  16392.62   185.5725 16260.10  369.8000 16526.10   372.5000 178.0618 2.026739  179.5125 2.025038  -1.450699      2.865039  
1 1 1 -5  9  9  o 184.7617 1.048245  17494.82   198.4600 16725.60  385.8000 18309.70   408.7000 180.5822 2.084918  188.9378 2.110996  -8.355591      2.967016  
1 1 1 -5  9  10 o 82.66695 0.5266000 3501.576   44.60784 3375.400  87.50000 3632.800   91.00000 81.15513 1.052189  84.19257 1.054798  -3.037437      1.489866  
1 1 1 -5  9  11 o 148.6763 0.8716714 11327.72   132.7985 11099.30  264.7000 11557.70   266.5000 147.1228 1.755802  150.1319 1.732311  -3.009033      2.466524  
1 1 1 -5  9  12 o 53.67752 0.4126024 1476.299   22.69460 1437.900  44.70000 1515.900   46.10000 52.97102 0.8235136 54.38873 0.8271677 -1.417709      1.167211  
1 1 1 -5  9  13 o 108.3705 0.6630690 6017.910   73.63223 5854.300  143.8000 6189.600   150.9000 106.8672 1.313155  109.8838 1.340162  -3.016609      1.876276  
1 1 1 -5  9  14 o 156.9338 0.9198258 12621.51   147.9178 12800.10  305.8000 12454.20   286.5000 157.9755 1.889075  155.8346 1.794165  2.140930       2.605309  
1 1 1 -5  9  15 o 37.66969 0.3700424 727.0613   14.28374 850.3000  32.00000 627.7000   25.80000 40.73446 0.7666368 34.99908 0.7193904 5.735374       1.051311  
1 1 1 -5  9  16 o 127.3014 0.7708265 8304.573   100.5514 8401.000  207.6000 8214.000   195.0000 127.9991 1.582785  126.5715 1.503489  1.427643       2.183046  
1 1 1 -5  9  17 o 144.6493 0.8553339 10722.76   126.7799 10054.90  239.4000 11474.60   269.5000 140.0244 1.668484  149.5758 1.758324  -9.551422      2.423952  
1 1 1 -5  9  18 o 102.2057 0.6445093 5352.803   67.49986 5283.400  135.2000 5422.000   134.8000 101.5187 1.299668  102.8426 1.279142  -1.323891      1.823551  
1 1 1 -5  9  19 o 119.0643 0.7107780 7264.593   86.71894 7193.100  174.9000 7334.900   172.0000 118.4432 1.441058  119.6073 1.403371  -1.164078      2.011491  
1 1 1 -5  9  20 o 61.73913 0.4606988 1953.101   29.14580 2035.500  57.60000 1868.700   59.00000 63.02097 0.8919470 60.38232 0.9535508 2.638645       1.305691  
1 1 1 -5  9  21 o 77.28386 0.5205739 3060.526   41.22585 2924.400  79.10000 3208.700   86.10000 75.53316 1.021975  79.11815 1.062010  -3.584991      1.473872  
1 1 1 -5  9  22 o 44.61786 0.3552082 1020.029   16.24015 1048.900  31.70000 989.7000   33.30000 45.24117 0.6837968 43.94508 0.7394956 1.296093       1.007190  
1 1 1 -5  9  23 o 28.31310 0.3760930 410.7488   10.91142 430.4000  23.20000 393.3000   20.60000 28.96826 0.7822849 27.69280 0.7265697 1.275457       1.067649  
1 1 1 -5  9  24 o 37.76446 0.3759544 730.7578   14.54845 731.5000  28.80000 730.0000   29.40000 37.77876 0.7439547 37.73971 0.7602394 0.3904343E-01  1.063688  
1 1 1 -5  9  25 o 103.5797 0.6568091 5498.621   69.71272 5336.600  137.6000 5665.000   141.3000 101.9939 1.316576  105.0857 1.312200  -3.091797      1.858828  
1 1 1 -5  9  26 o 44.33978 0.3850513 1007.422   17.49486 973.5000  35.60000 1040.200   34.40000 43.57764 0.7972378 45.04736 0.7452308 -1.469715      1.091310  
1 1 1 -5  9  27 o 64.14697 0.4483027 2108.701   29.46767 2024.700  53.50000 2211.700   65.60000 62.83972 0.8308472 65.66834 0.9748761 -2.828625      1.280894  
1 1 1 -5  9  28 o 31.14024 0.3767669 496.9268   12.02245 484.6000  24.40000 508.9000   23.70000 30.73265 0.7754225 31.50503 0.7341251 -0.7723789     1.067811  
1 1 1 -5  9  29 o 97.43793 0.7218497 4868.208   72.07310 5052.200  125.5000 4620.000   169.3000 99.18645 1.234790  94.73994 1.743916  4.446510       2.136808  
1 1 1 -5  10 1  o 134.7317 1.128494  0.000000   0.000000 ?         ?        9304.000   155.8000 ?        ?         134.7317 1.128494  0.000000       1.128494  
1 1 1 -5  10 2  o 134.0933 1.107667  0.000000   0.000000 ?         ?        9215.900   152.2000 ?        ?         134.0933 1.107667  0.000000       1.107667  
1 1 1 -5  10 3  o 197.9580 1.838812  0.000000   0.000000 ?         ?        20097.50   373.0000 ?        ?         197.9580 1.838812  0.000000       1.838812  
1 1 1 -5  10 4  o 57.95165 0.6618024 0.000000   0.000000 ?         ?        1720.900   39.30000 ?        ?         57.95165 0.6618024 0.000000       0.6618024 
1 1 1 -5  10 5  o 80.40721 0.5232159 3312.785   43.10963 3265.300  120.9000 3339.100   67.00000 79.80644 1.478393  80.72140 0.8100051 -0.9149551     1.685751  
1 1 1 -5  10 6  f 145.3236 1.009847  10823.59   150.3800 11176.90  375.8000 10587.90   250.7000 147.5639 2.485296  143.6927 1.702634  3.871246       3.012583  
1 1 1 -5  10 7  f 93.48885 0.6725979 4478.644   64.43379 4302.800  153.4000 4606.000   111.1000 91.60484 1.634213  94.79666 1.143728  -3.191826      1.994684  
1 1 1 -5  10 8  o 82.81471 0.5270416 3514.147   44.72504 3281.200  82.70000 3788.500   97.40000 80.01385 1.008653  85.97438 1.105583  -5.960526      1.496561  
1 1 1 -5  10 9  o 132.3425 0.7825620 8975.304   106.1247 9095.300  212.6000 8855.700   211.9000 133.1871 1.557768  131.4201 1.573514  1.766998       2.214179  
1 1 1 -5  10 10 o 117.2201 0.7035133 7041.103   84.50316 6671.700  159.2000 7459.000   180.1000 114.0793 1.361876  120.6176 1.457152  -6.538239      1.994492  
1 1 1 -5  10 11 o 136.6365 0.7967139 9567.334   111.5494 9574.600  223.6000 9560.100   222.6000 136.6459 1.596897  136.5428 1.590955  0.1030731      2.254155  
1 1 1 -5  10 12 o 155.2995 0.8999142 12360.17   143.2087 11779.30  277.7000 12978.70   295.7000 151.5466 1.788262  159.0726 1.814084  -7.526001      2.547309  
1 1 1 -5  10 13 o 99.68890 0.6103569 5092.331   62.34894 5090.800  127.3000 5093.800   122.2000 99.65408 1.246623  99.68549 1.196302  -0.3141785E-01 1.727775  
1 1 1 -5  10 14 o 95.05463 0.5942236 4629.862   57.87907 4943.400  122.4000 4348.600   109.8000 98.20131 1.216370  92.10616 1.163363  6.095146       1.683143  
1 1 1 -5  10 15 o 62.59152 0.4418980 2007.381   28.34236 2017.200  60.40000 1998.700   53.40000 62.73671 0.9395434 62.45044 0.8344636 0.2862663      1.256611  
1 1 1 -5  10 16 o 167.1320 0.9682299 14316.59   165.8198 14479.00  337.8000 14160.00   325.7000 167.9860 1.962403  166.1311 1.913236  1.854919       2.740711  
1 1 1 -5  10 17 o 51.85908 0.4076875 1377.990   21.66459 1411.100  44.30000 1346.300   42.40000 52.47316 0.8238880 51.25444 0.8073019 1.218712       1.153485  
1 1 1 -5  10 18 o 84.37852 0.5854351 3648.335   50.61847 3416.400  100.1000 3885.600   102.4000 81.63369 1.196648  87.06118 1.147829  -5.427490      1.658154  
1 1 1 -5  10 19 o 130.1265 0.7683067 8677.972   102.4469 8992.500  213.8000 8388.600   196.7000 132.4060 1.575802  127.8896 1.500965  4.516418       2.176246  
1 1 1 -5  10 20 o 71.58025 0.4772165 2625.464   35.00314 2542.100  68.30000 2713.100   71.80000 70.42245 0.9464794 72.75188 0.9631233 -2.329422      1.350344  
1 1 1 -5  10 21 o 13.79649 0.6079975 97.73236   8.574344 84.40000  17.00000 111.3000   17.30000 12.76067 1.319095  14.68772 1.158840  -1.927052      1.755825  
1 1 1 -5  10 22 f 56.75159 0.4196418 1650.344   24.40367 1475.800  45.60000 1851.300   52.50000 53.65769 0.8293436 60.09676 0.8525304 -6.439072      1.189378  
1 1 1 -5  10 23 o 61.94852 0.4339797 1966.489   27.54855 1981.900  55.50000 1951.300   54.70000 62.17752 0.8710864 61.69588 0.8652323 0.4816322      1.227770  
1 1 1 -5  10 24 o 89.42496 0.5682886 4098.353   52.07462 4003.200  101.9000 4197.800   106.5000 88.34404 1.125638  90.46371 1.148886  -2.119675      1.608415  
1 1 1 -5  10 25 o 68.66492 0.4639252 2416.231   32.64235 2411.800  64.30000 2420.800   66.30000 68.57906 0.9149999 68.70508 0.9417298 -0.1260147     1.313042  
1 1 1 -5  10 26 o 15.59883 0.4646129 124.8121   7.418181 136.3000  15.30000 114.0000   14.40000 16.27561 0.9211543 14.87784 0.9495040 1.397771       1.322907  
1 1 1 -5  10 27 o 16.03957 0.4704746 131.9689   7.724272 140.4000  15.60000 123.7000   15.30000 16.51740 0.9253896 15.49715 0.9683156 1.020247       1.339396  
1 1 1 -5  10 28 o 51.32391 0.4495350 1350.072   23.64186 1359.600  39.10000 1335.500   59.80000 51.48953 0.7410703 50.99826 1.144320  0.4912720      1.363324  
1 1 1 -5  11 1  o 27.07826 0.4577039 0.000000   0.000000 ?         ?        375.7000   12.70000 ?        ?         27.07826 0.4577039 0.000000       0.4577039 
1 1 1 -5  11 2  o 89.05961 0.7670415 0.000000   0.000000 ?         ?        4064.600   70.00000 ?        ?         89.05961 0.7670415 0.000000       0.7670415 
1 1 1 -5  11 3  o 135.4071 1.125028  0.000000   0.000000 ?         ?        9398.100   156.1000 ?        ?         135.4071 1.125028  0.000000       1.125028  
1 1 1 -5  11 4  o 179.6837 1.653789  0.000000   0.000000 ?         ?        16557.50   304.5000 ?        ?         179.6837 1.653789  0.000000       1.653789  
1 1 1 -5  11 5  f 90.12199 0.9106823 0.000000   0.000000 ?         ?        4162.500   84.10000 ?        ?         90.12199 0.9106823 0.000000       0.9106823 
1 1 1 -5  11 6  o 190.0616 1.120187  18515.97   218.1641 18413.90  596.7000 18574.80   343.9000 189.2673 3.076678  190.3020 1.763561  -1.034683      3.546279  
1 1 1 -5  11 7  o 114.1551 0.7036104 6677.818   82.30494 6642.800  228.0000 6697.600   128.8000 113.7887 1.955407  114.3097 1.099599  -0.5209427     2.243376  
1 1 1 -5  11 8  o 55.62604 0.4746793 1585.476   27.05682 1547.900  65.10000 1612.200   46.30000 54.95201 1.156110  56.08864 0.8055783 -1.136627      1.409094  
1 1 1 -5  11 9  o 67.05393 0.5194383 2303.877   35.69083 2578.500  97.50000 2145.300   56.30000 70.91825 1.341678  64.69984 0.8491938 6.218414       1.587838  
1 1 1 -5  11 10 o 38.33994 0.3490807 753.1660   13.71436 812.7000  28.90000 699.4000   26.10000 39.82362 0.7082046 36.94371 0.6894481 2.879906       0.9883787 
1 1 1 -5  11 11 o 138.5471 0.8274293 9837.275   117.4699 9841.100  236.5000 9833.500   233.4000 138.5195 1.666180  138.4678 1.644954  0.5166626E-01  2.341373  
1 1 1 -5  11 12 o 66.49451 0.4552011 2265.556   31.01612 2343.300  63.10000 2190.400   61.00000 67.61761 0.9106913 65.37437 0.9105922 2.243233       1.287842  
1 1 1 -5  11 13 o 148.9966 0.8653045 11377.62   132.1125 11531.50  270.1000 11230.30   258.6000 149.9305 1.758070  147.9648 1.705578  1.965652       2.449451  
1 1 1 -5  11 14 f 108.8558 0.6445172 6072.210   71.89266 6199.300  146.9000 5950.400   140.8000 109.9597 1.303737  107.7313 1.275447  2.228401       1.823868  
1 1 1 -5  11 15 o 47.30499 0.3908664 1146.600   18.94670 1071.800  37.40000 1223.400   38.40000 45.73103 0.7981091 48.85883 0.7669901 -3.127800      1.106911  
1 1 1 -5  11 16 o 71.17398 0.4718817 2595.719   34.41540 2623.300  67.70000 2567.200   70.00000 71.54022 0.9235067 70.76978 0.9652767 0.7704468      1.335898  
1 1 1 -5  11 17 o 11.30305 0.7310107 65.74986   8.421366 114.9000  17.20000 18.60000   16.50000 14.92735 1.132929  6.280981 2.140403  8.646372       2.421746  
1 1 1 -5  11 18 o 68.30315 0.4689144 2390.587   32.81956 2462.100  67.70000 2323.300   63.70000 69.30355 0.9533114 67.32281 0.9233764 1.980736       1.327188  
1 1 1 -5  11 19 o 61.03283 0.4275071 1908.738   26.73654 1847.200  52.30000 1973.100   54.70000 60.03053 0.8502195 62.04222 0.8604024 -2.011688      1.209614  
1 1 1 -5  11 20 o 77.49018 0.4930544 3077.076   39.15073 3141.900  80.30000 3015.400   76.40000 78.28066 1.001066  76.69018 0.9721992 1.590485       1.395459  
1 1 1 -5  11 21 f 84.67627 0.5500220 3674.514   47.72436 3629.700  95.80000 3719.000   95.10000 84.12608 1.111313  85.15630 1.089846  -1.030228      1.556529  
1 1 1 -5  11 22 o 59.06795 0.4080596 1787.892   24.69869 1841.300  52.30000 1740.100   46.80000 59.92775 0.8516778 58.26070 0.7839200 1.667049       1.157534  
1 1 1 -5  11 23 o 37.72387 0.3515187 729.2264   13.58823 693.8000  26.40000 766.8000   28.00000 36.78838 0.7003173 38.67519 0.7065245 -1.886806      0.9947971 
1 1 1 -5  11 24 f 65.48901 0.4474245 2197.970   30.02525 2338.700  63.20000 2070.600   57.20000 67.52438 0.9133939 63.53889 0.8785328 3.985489       1.267323  
1 1 1 -5  11 25 o 29.40016 0.3475746 442.9448   10.47119 413.0000  19.90000 476.2000   22.10000 28.38128 0.6842625 30.47478 0.7077066 -2.093502      0.9844103 
1 1 1 -5  11 26 f 6.849477 1.153026  24.74954   7.805573 11.10000  13.20000 44.50000   19.10000 5.187305 1.900354  9.105306 2.091235  -3.918001      2.825705  
1 1 1 -5  12 1  o 76.02369 0.7060173 0.000000   0.000000 ?         ?        2961.800   55.00000 ?        ?         76.02369 0.7060173 0.000000       0.7060173 
1 1 1 -5  12 2  o 66.91604 0.6606472 0.000000   0.000000 ?         ?        2294.600   45.30000 ?        ?         66.91604 0.6606472 0.000000       0.6606472 
1 1 1 -5  12 3  o 114.6082 1.129092  0.000000   0.000000 ?         ?        6733.300   132.6000 ?        ?         114.6082 1.129092  0.000000       1.129092  
1 1 1 -5  12 4  f 34.20198 0.5050375 0.000000   0.000000 ?         ?        599.4000   17.70000 ?        ?         34.20198 0.5050375 0.000000       0.5050375 
1 1 1 -5  12 5  o 35.55903 0.7684397 0.000000   0.000000 ?         ?        648.0000   28.00000 ?        ?         35.55903 0.7684397 0.000000       0.7684397 
1 1 1 -5  12 6  o 108.6545 1.081385  0.000000   0.000000 ?         ?        6051.700   120.4000 ?        ?         108.6545 1.081385  0.000000       1.081385  
1 1 1 -5  12 7  o 57.17726 0.6468708 0.000000   0.000000 ?         ?        1675.300   37.90000 ?        ?         57.17726 0.6468708 0.000000       0.6468708 
1 1 1 -5  12 8  f 73.12729 0.4921494 2740.141   36.87863 3111.300  114.5000 2563.800   54.40000 77.89202 1.434545  70.73019 0.7505777 7.161827       1.619039  
1 1 1 -5  12 9  o 128.8501 0.7809106 8508.577   103.1061 8442.000  282.7000 8546.800   162.3000 128.2290 2.151499  129.1132 1.226732  -0.8841248     2.476654  
1 1 1 -5  12 10 o 70.83924 0.5602870 2571.461   40.67081 2334.600  90.60000 2764.400   73.80000 67.47578 1.310334  73.43764 0.9807071 -5.961861      1.636692  
1 1 1 -5  12 11 o 79.44875 0.6141118 3234.617   49.99572 3080.600  120.2000 3344.300   85.60000 77.49777 1.513620  80.77080 1.034239  -3.273026      1.833220  
1 1 1 -5  12 12 o 97.66724 0.6114908 4888.221   61.19800 4804.900  121.7000 4972.500   123.1000 96.80277 1.226887  98.47703 1.219901  -1.674255      1.730147  
1 1 1 -5  12 13 o 45.81742 0.3736122 1075.631   17.54082 1103.300  36.70000 1050.300   33.60000 46.39702 0.7719294 45.26981 0.7243230 1.127216       1.058546  
1 1 1 -5  12 14 o 38.44263 0.3453183 757.2256   13.60289 887.7000  31.40000 657.5000   24.00000 41.61782 0.7362951 35.81862 0.6538891 5.799202       0.9847342 
1 1 1 -5  12 15 o 111.5545 0.6623362 6377.675   75.71185 6410.700  154.9000 6346.100   148.1000 111.7940 1.352180  111.2342 1.299326  0.5597916      1.875271  
1 1 1 -5  12 16 o 89.11663 0.5521304 4069.851   50.41953 3941.600  99.80000 4200.800   101.9000 87.67278 1.110881  90.51041 1.098695  -2.837624      1.562430  
1 1 1 -5  12 17 o 36.37216 0.3341768 677.8660   12.45500 724.4000  26.50000 636.6000   23.50000 37.59464 0.6878941 35.24344 0.6507156 2.351200       0.9469050 
1 1 1 -5  12 18 o 35.85173 0.3395053 658.6148   12.47254 621.0000  24.60000 697.3000   25.30000 34.80752 0.6897054 36.88437 0.6693910 -2.076843      0.9611336 
1 1 1 -5  12 19 o 20.77967 0.4047869 221.2661   8.619130 231.2000  16.80000 210.8000   17.70000 21.22244 0.7738258 20.25871 0.8545540 0.9637299      1.152853  
1 1 1 -5  12 20 o 47.32644 0.3818074 1147.751   18.51597 1260.300  40.10000 1051.200   34.40000 49.57924 0.7893074 45.28178 0.7413727 4.297455       1.082885  
1 1 1 -5  12 21 o 16.10012 0.5109552 132.9878   8.418991 137.3000  17.30000 128.9000   16.40000 16.32560 1.039538  15.81815 1.017180  0.5074434      1.454405  
1 1 1 -5  12 22 o 19.38076 0.3954992 192.4918   7.854431 174.9000  17.00000 207.6000   14.60000 18.44283 0.9022838 20.10922 0.7096441 -1.666391      1.147916  
1 1 1 -5  12 23 o 51.37873 0.3741713 1352.815   19.69937 1407.500  41.50000 1303.400   37.50000 52.38657 0.7730895 50.41511 0.7258924 1.971462       1.060465  
1 1 1 -5  12 24 o 30.88512 0.3478445 488.8379   11.00862 482.3000  21.20000 495.9000   22.90000 30.66835 0.6746012 31.09596 0.7186759 -0.4276161     0.9856885 
1 1 1 -5  13 1  o 40.16131 0.4786962 0.000000   0.000000 ?         ?        826.5000   19.70000 ?        ?         40.16131 0.4786962 0.000000       0.4786962 
1 1 1 -5  13 2  o 80.03953 0.7230225 0.000000   0.000000 ?         ?        3283.300   59.30000 ?        ?         80.03953 0.7230225 0.000000       0.7230225 
1 1 1 -5  13 3  o 89.23286 0.7907063 0.000000   0.000000 ?         ?        4081.100   72.30000 ?        ?         89.23286 0.7907063 0.000000       0.7907063 
1 1 1 -5  13 4  o 105.0069 0.9117014 0.000000   0.000000 ?         ?        5652.200   98.10000 ?        ?         105.0069 0.9117014 0.000000       0.9117014 
1 1 1 -5  13 5  o 81.93387 0.7337006 0.000000   0.000000 ?         ?        3440.600   61.60000 ?        ?         81.93387 0.7337006 0.000000       0.7337006 
1 1 1 -5  13 6  o 75.45097 0.6984423 0.000000   0.000000 ?         ?        2917.600   54.00000 ?        ?         75.45097 0.6984423 0.000000       0.6984423 
1 1 1 -5  13 7  o 127.4335 1.223756  0.000000   0.000000 ?         ?        8327.900   159.8000 ?        ?         127.4335 1.223756  0.000000       1.223756  
1 1 1 -5  13 8  o 106.1100 1.055813  0.000000   0.000000 ?         ?        5772.800   114.8000 ?        ?         106.1100 1.055813  0.000000       1.055813  
1 1 1 -5  13 9  o 40.13503 0.3599250 825.3765   14.80246 797.2000  42.20000 840.6000   22.80000 39.41780 1.045696  40.50119 0.5493748 -1.083393      1.181225  
1 1 1 -5  13 10 o 20.50818 0.6117045 215.7349   12.84049 1034.500  70.50000 33.40000   15.70000 44.87207 1.535518  7.907844 1.949971  36.96422       2.481975  
1 1 1 -5  13 11 o 53.17855 0.3984964 1449.079   21.71498 1769.900  72.50000 1311.900   31.00000 58.74343 1.204426  50.59520 0.5979351 8.148239       1.344682  
1 1 1 -5  13 12 o 51.22050 0.4568409 1344.395   23.97768 1300.100  61.50000 1372.700   39.30000 50.34579 1.192102  51.75001 0.7411118 -1.404217      1.403693  
1 1 1 -5  13 13 o 46.86971 0.4109442 1125.678   19.73665 961.6000  42.70000 1266.700   36.70000 43.30572 0.9622419 49.71169 0.7204588 -6.405975      1.202069  
1 1 1 -5  13 14 o 48.27026 0.4128026 1193.974   20.41834 1175.500  47.70000 1207.800   35.70000 47.87858 0.9722518 48.54136 0.7177247 -0.6627846     1.208471  
1 1 1 -5  13 15 o 90.71057 0.5550535 4217.134   51.59304 4432.000  109.2000 4024.700   97.80000 92.94616 1.146550  88.57915 1.077479  4.367012       1.573384  
1 1 1 -5  13 16 f 31.97582 0.3398565 523.9229   11.13565 532.6000  21.50000 514.6000   23.10000 32.23402 0.6509171 31.68319 0.7115161 0.5508308      0.9643382 
1 1 1 -5  13 17 o 60.11098 0.4237897 1851.717   26.10373 1778.100  50.10000 1931.800   54.50000 58.88498 0.8302996 61.37488 0.8665777 -2.489899      1.200148  
1 1 1 -5  13 18 o 7.691453 0.9563243 30.81559   7.374915 35.40000  14.70000 26.20000   14.80000 8.134877 1.810132  7.035325 1.973383  1.099552       2.677838  
1 1 1 -5  13 19 o 54.45259 0.3891220 1519.533   21.71214 1658.200  49.30000 1410.400   38.80000 56.85736 0.8461782 52.44532 0.7219824 4.412045       1.112329  
1 1 1 -5  13 20 o 17.45163 0.3988686 156.0853   7.132867 171.4000  15.00000 142.2000   13.60000 18.26233 0.8035285 16.63107 0.8003814 1.631250       1.134138  
1 1 1 -5  13 21 o 51.46152 0.3786502 1357.230   19.96729 1432.200  42.20000 1289.900   37.90000 52.84011 0.7793819 50.14949 0.7375210 2.690628       1.073021  
1 1 1 -5  14 1  o 34.15114 0.7944037 0.000000   0.000000 ?         ?        597.9000   27.80000 ?        ?         34.15114 0.7944037 0.000000       0.7944037 
1 1 1 -5  14 2  o 126.6811 1.577683  0.000000   0.000000 ?         ?        8240.800   204.8000 ?        ?         126.6811 1.577683  0.000000       1.577683  
1 1 1 -5  14 3  o 74.17396 0.9604461 0.000000   0.000000 ?         ?        2821.200   73.00000 ?        ?         74.17396 0.9604461 0.000000       0.9604461 
1 1 1 -5  14 4  o 24.94772 0.8775984 0.000000   0.000000 ?         ?        319.5000   22.40000 ?        ?         24.94772 0.8775984 0.000000       0.8775984 
1 1 1 -5  14 5  o 63.77476 0.8967068 0.000000   0.000000 ?         ?        2085.400   58.60000 ?        ?         63.77476 0.8967068 0.000000       0.8967068 
1 1 1 -5  14 6  o 40.06704 0.6064761 0.000000   0.000000 ?         ?        822.8000   24.90000 ?        ?         40.06704 0.6064761 0.000000       0.6064761 
1 1 1 -5  14 7  o 17.17330 0.7748306 0.000000   0.000000 ?         ?        151.5000   13.60000 ?        ?         17.17330 0.7748306 0.000000       0.7748306 
1 1 1 -5  14 8  o 33.66946 0.6898305 0.000000   0.000000 ?         ?        581.1000   23.80000 ?        ?         33.66946 0.6898305 0.000000       0.6898305 
1 1 1 -5  14 9  o 65.77635 0.8946417 0.000000   0.000000 ?         ?        2218.600   60.30000 ?        ?         65.77635 0.8946417 0.000000       0.8946417 
1 1 1 -5  14 10 f 52.44282 0.6159473 0.000000   0.000000 ?         ?        1409.700   33.10000 ?        ?         52.44282 0.6159473 0.000000       0.6159473 
1 1 1 -5  14 11 o 29.92886 0.5477983 0.000000   0.000000 ?         ?        459.1000   16.80000 ?        ?         29.92886 0.5477983 0.000000       0.5477983 
1 1 1 -5  14 12 o 90.10623 0.5735321 4161.666   52.95548 3802.100  133.9000 4396.900   87.60000 86.01310 1.519209  92.58571 0.9233403 -6.572609      1.777795  
1 1 1 -5  14 13 o 36.23532 0.3936717 672.8669   14.61722 651.0000  35.60000 688.1000   24.80000 35.60799 0.9765949 36.63582 0.6606134 -1.027832      1.179045  
1 1 1 -5  14 14 o 33.11675 0.3675406 562.0236   12.47244 489.4000  28.80000 617.5000   22.00000 30.87315 0.9113575 34.70611 0.6186120 -3.832958      1.101478  
1 1 1 -5  14 15 o 35.32090 0.3723306 639.3428   13.47593 618.5000  33.60000 653.3000   22.50000 34.70540 0.9456901 35.69712 0.6151075 -0.9917183     1.128134  
1 1 1 -5  14 16 o 44.95414 0.4219941 1035.737   19.43903 1145.500  47.10000 958.6000   33.10000 47.24297 0.9729384 43.23272 0.7471659 4.010246       1.226730  
1 1 1 -5  14 17 o 41.02779 0.3843147 862.6828   16.15710 852.7000  38.20000 870.0000   28.00000 40.76202 0.9145540 41.18953 0.6633959 -0.4275169     1.129824  
1 1 1 -5  14 18 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -5  15 1  o 24.35843 0.8385843 0.000000   0.000000 ?         ?        304.7000   20.90000 ?        ?         24.35843 0.8385843 0.000000       0.8385843 
1 1 1 -5  15 2  o 53.53681 0.7710624 0.000000   0.000000 ?         ?        1469.900   42.30000 ?        ?         53.53681 0.7710624 0.000000       0.7710624 
1 1 1 -5  15 3  o 45.84706 0.7450032 0.000000   0.000000 ?         ?        1077.900   35.00000 ?        ?         45.84706 0.7450032 0.000000       0.7450032 
1 1 1 -5  15 4  o 36.70277 0.7418343 0.000000   0.000000 ?         ?        690.8000   27.90000 ?        ?         36.70277 0.7418343 0.000000       0.7418343 
1 1 1 -5  15 5  o 46.01987 0.7591703 0.000000   0.000000 ?         ?        1086.100   35.80000 ?        ?         46.01987 0.7591703 0.000000       0.7591703 
1 1 1 -5  15 6  o 24.58997 0.8226704 0.000000   0.000000 ?         ?        310.5000   20.70000 ?        ?         24.58997 0.8226704 0.000000       0.8226704 
1 1 1 -5  15 7  o 73.56102 0.9936553 0.000000   0.000000 ?         ?        2777.200   74.90000 ?        ?         73.56102 0.9936553 0.000000       0.9936553 
1 1 1 -5  15 8  o 28.27570 0.7842124 0.000000   0.000000 ?         ?        410.4000   22.70000 ?        ?         28.27570 0.7842124 0.000000       0.7842124 
1 1 1 -5  15 9  o 77.96517 1.076464  0.000000   0.000000 ?         ?        3121.100   86.00000 ?        ?         77.96517 1.076464  0.000000       1.076464  
1 1 1 -5  15 10 o 61.93538 1.213259  0.000000   0.000000 ?         ?        1971.000   77.00000 ?        ?         61.93538 1.213259  0.000000       1.213259  
1 1 1 -5  15 11 o 39.03527 0.9782807 0.000000   0.000000 ?         ?        782.7000   39.10000 ?        ?         39.03527 0.9782807 0.000000       0.9782807 
1 1 1 -5  15 12 o 38.38817 0.9667931 0.000000   0.000000 ?         ?        757.0000   38.00000 ?        ?         38.38817 0.9667931 0.000000       0.9667931 
1 1 1 -5  15 13 o 17.06312 1.109848  0.000000   0.000000 ?         ?        150.2000   19.30000 ?        ?         17.06312 1.109848  0.000000       1.109848  
1 1 1 -4  0  1  o 16.87784 0.6497847 146.6000   11.20000 146.6000  11.20000 146.6000   11.20000 16.87784 0.6497847 16.87784 0.6497847 0.000000       0.000000  
1 1 1 -4  0  2  o 75.36528 1.404753  2913.400   108.4000 2913.400  108.4000 2913.400   108.4000 75.36528 1.404753  75.36528 1.404753  0.000000       0.000000  
1 1 1 -4  0  3  o 76.37542 1.416854  2992.000   110.8000 2992.000  110.8000 2992.000   110.8000 76.37542 1.416854  76.37542 1.416854  0.000000       0.000000  
1 1 1 -4  0  4  o 231.7313 3.660421  27550.30   868.7000 27550.30  868.7000 27550.30   868.7000 231.7313 3.660421  231.7313 3.660421  0.000000       0.000000  
1 1 1 -4  0  5  o 260.1934 4.163363  34742.40   1109.400 34742.40  1109.400 34742.40   1109.400 260.1934 4.163363  260.1934 4.163363  0.000000       0.000000  
1 1 1 -4  0  6  o 205.2328 3.456276  21612.80   726.4000 21612.80  726.4000 21612.80   726.4000 205.2328 3.456276  205.2328 3.456276  0.000000       0.000000  
1 1 1 -4  0  7  o 166.1467 2.838854  14162.80   483.0000 14162.80  483.0000 14162.80   483.0000 166.1467 2.838854  166.1467 2.838854  0.000000       0.000000  
1 1 1 -4  0  8  f 15.03954 0.8498027 117.0000   13.00000 117.0000  13.00000 117.0000   13.00000 15.03954 0.8498027 15.03954 0.8498027 0.000000       0.000000  
1 1 1 -4  0  9  o 57.70734 1.225608  1708.700   72.40000 1708.700  72.40000 1708.700   72.40000 57.70734 1.225608  57.70734 1.225608  0.000000       0.000000  
1 1 1 -4  0  10 f 165.5256 2.001665  14047.80   339.4000 14047.80  339.4000 14047.80   339.4000 165.5256 2.001665  165.5256 2.001665  0.000000       0.000000  
1 1 1 -4  0  11 o 60.51479 0.8712379 1877.500   54.00000 1877.500  54.00000 1877.500   54.00000 60.51479 0.8712379 60.51479 0.8712379 0.000000       0.000000  
1 1 1 -4  0  12 o 169.9275 2.102084  14804.00   365.9000 14804.00  365.9000 14804.00   365.9000 169.9275 2.102084  169.9275 2.102084  0.000000       0.000000  
1 1 1 -4  0  13 o 251.9272 2.969349  32541.30   766.3000 32541.30  766.3000 32541.30   766.3000 251.9272 2.969349  251.9272 2.969349  0.000000       0.000000  
1 1 1 -4  0  14 o 646.8427 7.132070  214800.0   4726.000 214800.0  4726.000 214800.0   4726.000 646.8427 7.132070  646.8427 7.132070  0.000000       0.000000  
1 1 1 -4  0  15 o 290.2368 3.352983  43192.40   996.9000 43192.40  996.9000 43192.40   996.9000 290.2368 3.352983  290.2368 3.352983  0.000000       0.000000  
1 1 1 -4  0  16 o 225.2189 2.718166  26006.40   627.1000 26006.40  627.1000 26006.40   627.1000 225.2189 2.718166  225.2189 2.718166  0.000000       0.000000  
1 1 1 -4  0  17 o 100.2751 1.370863  5155.000   140.8000 5155.000  140.8000 5155.000   140.8000 100.2751 1.370863  100.2751 1.370863  0.000000       0.000000  
1 1 1 -4  0  18 o 47.81237 0.8885646 1172.500   43.50000 1172.500  43.50000 1172.500   43.50000 47.81237 0.8885646 47.81237 0.8885646 0.000000       0.000000  
1 1 1 -4  0  19 o 43.87705 0.8035261 987.4000   36.10000 987.4000  36.10000 987.4000   36.10000 43.87705 0.8035261 43.87705 0.8035261 0.000000       0.000000  
1 1 1 -4  0  20 o 188.6275 2.313403  18243.70   447.0000 18243.70  447.0000 18243.70   447.0000 188.6275 2.313403  188.6275 2.313403  0.000000       0.000000  
1 1 1 -4  0  21 o 262.4876 4.384254  35380.30   1178.500 35380.30  1178.500 35380.30   1178.500 262.4876 4.384254  262.4876 4.384254  0.000000       0.000000  
1 1 1 -4  0  22 o 67.25382 1.413288  2320.900   97.30000 2320.900  97.30000 2320.900   97.30000 67.25382 1.413288  67.25382 1.413288  0.000000       0.000000  
1 1 1 -4  0  23 o 125.3605 2.344260  8065.100   300.9000 8065.100  300.9000 8065.100   300.9000 125.3605 2.344260  125.3605 2.344260  0.000000       0.000000  
1 1 1 -4  0  24 o 117.7413 2.267127  7115.100   273.3000 7115.100  273.3000 7115.100   273.3000 117.7413 2.267127  117.7413 2.267127  0.000000       0.000000  
1 1 1 -4  0  25 o 198.6677 3.321254  20268.10   675.7000 20268.10  675.7000 20268.10   675.7000 198.6677 3.321254  198.6677 3.321254  0.000000       0.000000  
1 1 1 -4  0  26 o 90.20346 1.762817  4175.400   162.8000 4175.400  162.8000 4175.400   162.8000 90.20346 1.762817  90.20346 1.762817  0.000000       0.000000  
1 1 1 -4  0  27 o 112.6643 2.164689  6515.100   249.7000 6515.100  249.7000 6515.100   249.7000 112.6643 2.164689  112.6643 2.164689  0.000000       0.000000  
1 1 1 -4  0  28 o 98.42467 1.903324  4971.800   191.8000 4971.800  191.8000 4971.800   191.8000 98.42467 1.903324  98.42467 1.903324  0.000000       0.000000  
1 1 1 -4  0  29 o 120.3454 1.662267  7428.400   204.9000 7428.400  204.9000 7428.400   204.9000 120.3454 1.662267  120.3454 1.662267  0.000000       0.000000  
1 1 1 -4  0  30 o 64.72925 1.049948  2148.900   69.60000 2148.900  69.60000 2148.900   69.60000 64.72925 1.049948  64.72925 1.049948  0.000000       0.000000  
1 1 1 -4  0  31 o 244.0878 2.840729  30602.10   710.3000 30602.10  710.3000 30602.10   710.3000 244.0878 2.840729  244.0878 2.840729  0.000000       0.000000  
1 1 1 -4  0  32 o 2.586684 1.804730  -16.90000  17.40000 -16.90000 17.40000 -16.90000  17.40000 2.586684 1.804730  2.586684 1.804730  0.000000       0.000000  
1 1 1 -4  0  33 o 32.20975 0.8101152 532.7000   26.70000 532.7000  26.70000 532.7000   26.70000 32.20975 0.8101152 32.20975 0.8101152 0.000000       0.000000  
1 1 1 -4  0  34 o 10.18680 1.846796  58.20000   17.40000 58.20000  17.40000 58.20000   17.40000 10.18680 1.846796  10.18680 1.846796  0.000000       0.000000  
1 1 1 -4  0  35 o 22.88565 1.123424  270.5000   26.20000 270.5000  26.20000 270.5000   26.20000 22.88565 1.123424  22.88565 1.123424  0.000000       0.000000  
1 1 1 -4  1  1  o 214.0155 1.713417  23473.45   375.7567 22200.90  723.4000 24848.90   781.9000 208.0509 3.393209  220.1039 3.466771  -12.05302      4.851017  
1 1 1 -4  1  2  o 113.7578 0.9553224 6630.815   111.3601 6761.900  230.9000 6508.700   215.1000 114.8613 1.961787  112.6923 1.862722  2.169060       2.705243  
1 1 1 -4  1  3  o 107.4074 0.9306729 5911.147   102.4306 5356.100  191.9000 6546.600   219.7000 102.2286 1.831909  113.0190 1.897057  -10.79031      2.637180  
1 1 1 -4  1  4  o 299.0051 2.351483  45830.82   720.4747 45592.50  1442.000 46068.80   1439.900 297.9852 4.722502  299.5420 4.691117  -1.556763      6.656471  
1 1 1 -4  1  5  o 185.4017 1.495693  17615.58   284.1545 17771.70  577.4000 17464.30   559.5000 186.1544 3.026950  184.5413 2.958749  1.613052       4.232803  
1 1 1 -4  1  6  o 96.26181 0.7171186 4747.909   70.73647 4626.300  167.4000 4836.900   122.5000 95.00761 1.719486  97.15414 1.230485  -2.146538      2.114409  
1 1 1 -4  1  7  o 152.6125 1.099382  11934.92   171.9242 12819.30  451.1000 11390.30   277.8000 158.0961 2.784539  149.0687 1.818642  9.027328       3.325826  
1 1 1 -4  1  8  o 47.31524 0.4013204 1147.046   19.45766 1317.300  51.70000 1044.300   31.20000 50.70221 0.9950967 45.14546 0.6744382 5.556747       1.202117  
1 1 1 -4  1  9  o 194.0311 1.342264  19294.14   266.8748 20121.80  670.8000 18747.30   443.2000 198.0172 3.305916  191.2155 2.261926  6.801758       4.005670  
1 1 1 -4  1  10 o 20.03232 0.3286696 205.6067   6.746667 186.9000  13.80000 223.5000   13.20000 19.08573 0.7068430 20.87631 0.6177316 -1.790583      0.9387329 
1 1 1 -4  1  11 o 254.0023 1.724473  33065.96   448.8409 33189.80  1055.900 32974.40   780.7000 254.2957 4.052149  253.5687 3.004624  0.7269592      5.044569  
1 1 1 -4  1  12 o 191.8325 1.327051  18857.17   260.8604 18681.70  619.5000 18984.80   450.6000 190.8722 3.167381  192.4529 2.284906  -1.580719      3.905522  
1 1 1 -4  1  13 o 210.5612 1.229773  22718.02   265.3395 21773.70  508.4000 23748.90   555.0000 206.1082 2.407198  215.2499 2.516238  -9.141663      3.482249  
1 1 1 -4  1  14 o 248.6778 1.446481  31688.44   368.5938 30913.80  721.2000 32498.20   753.9000 245.5711 2.866026  251.7829 2.922060  -6.211792      4.092987  
1 1 1 -4  1  15 o 132.0213 0.8288304 8930.518   112.1265 8613.400  217.8000 9267.000   231.1000 129.6476 1.639439  134.4760 1.677091  -4.828461      2.345292  
1 1 1 -4  1  16 o 164.9082 1.004773  13934.27   169.7886 14101.90  348.5000 13775.00   331.1000 165.8785 2.050286  163.9464 1.970874  1.932068       2.843944  
1 1 1 -4  1  17 o 247.4417 1.677765  31376.70   425.4048 30236.90  1002.300 32217.20   739.1000 242.7817 4.028872  250.6817 2.877280  -7.900055      4.950813  
1 1 1 -4  1  18 o 168.6352 1.212372  14571.99   209.4992 13894.40  499.2000 15062.00   361.0000 164.6169 2.959387  171.4271 2.055084  -6.810150      3.602963  
1 1 1 -4  1  19 o 206.2738 1.411416  21804.29   298.3304 20357.20  670.3000 22964.90   537.6000 199.2253 3.283420  211.6492 2.478815  -12.42398      4.114046  
1 1 1 -4  1  20 o 48.09982 0.5817384 1185.423   28.67276 1072.400  59.90000 1289.200   55.00000 45.72784 1.279602  50.15860 1.070087  -4.430759      1.668073  
1 1 1 -4  1  21 o 15.33203 0.5881684 120.6227   9.223454 145.3000  23.70000 104.9000   15.10000 16.78032 1.390801  14.26983 1.039801  2.510485       1.736524  
1 1 1 -4  1  22 o 81.34377 0.6981917 3390.446   58.19656 3478.900  143.5000 3330.100   97.90000 82.37936 1.699946  80.60963 1.185216  1.769730       2.072330  
1 1 1 -4  1  23 o 187.5971 1.356583  18038.56   260.7780 18141.70  615.3000 17962.70   452.6000 187.9543 3.194746  187.1230 2.360419  0.8312988      3.972150  
1 1 1 -4  1  24 o 53.44258 0.5422645 1463.439   29.69594 1495.100  67.70000 1438.700   52.90000 54.00959 1.223262  52.98466 0.9743325 1.024929       1.563871  
1 1 1 -4  1  25 o 122.5125 1.261074  7693.283   158.3140 6909.000  256.8000 8954.000   412.8000 116.0528 2.159440  132.0353 3.051064  -15.98248      3.737937  
1 1 1 -4  1  26 o 181.6771 1.603669  16923.12   298.5473 16435.20  576.6000 17447.00   619.1000 178.8562 3.146098  184.2575 3.278968  -5.401337      4.544179  
1 1 1 -4  1  27 o 90.99714 0.7460020 4243.222   69.56105 4411.000  125.8000 4035.700   155.6000 92.76226 1.323460  88.71278 1.711690  4.049477       2.163661  
1 1 1 -4  1  28 o 100.9365 0.8109826 5221.046   83.87997 5073.300  141.4000 5436.500   206.2000 99.47777 1.387155  102.9455 1.954713  -3.467735      2.396894  
1 1 1 -4  1  29 o 118.0894 0.9180906 7147.037   111.0951 6819.900  182.6000 7655.300   283.7000 115.3220 1.545220  122.1188 2.267141  -6.796783      2.743653  
1 1 1 -4  1  30 o 83.38017 0.7174864 3562.808   61.30202 3590.400  105.0000 3524.100   147.3000 83.68427 1.224467  82.88047 1.734412  0.8037949      2.123088  
1 1 1 -4  1  31 o 87.52587 0.7304001 3926.131   65.50819 3806.800  108.0000 4110.100   166.5000 86.16338 1.223215  89.48715 1.815746  -3.323776      2.189335  
1 1 1 -4  1  32 o 64.64696 0.5152128 2141.609   34.12975 2108.100  65.30000 2178.300   71.50000 64.12403 0.9937885 65.17958 1.070523  -1.055550      1.460697  
1 1 1 -4  1  33 o 26.04630 1.066334  0.000000   0.000000 ?         ?        348.5000   28.40000 ?        ?         26.04630 1.066334  0.000000       1.066334  
1 1 1 -4  1  34 o 79.52602 0.6727619 3241.900   54.82378 3345.800  99.50000 3114.400   122.1000 80.74696 1.202537  77.86699 1.530255  2.879974       1.946221  
1 1 1 -4  1  35 o 45.00044 0.6262270 1038.073   28.87666 1137.400  62.20000 952.0000   53.90000 47.04681 1.291436  43.04568 1.223211  4.001125       1.778778  
1 1 1 -4  2  1  o 199.4710 1.300569  20389.71   265.8346 20893.70  468.4000 19728.30   614.7000 201.8820 2.264232  196.1242 3.058678  5.757843       3.805556  
1 1 1 -4  2  2  o 264.0706 1.476615  35736.67   399.5635 36621.20  812.7000 34881.20   786.0000 267.2201 2.967993  260.7969 2.941181  6.423218       4.178460  
1 1 1 -4  2  3  o 168.8547 0.9737922 14609.70   168.4915 14449.80  334.6000 14771.90   339.4000 167.9012 1.944795  169.7620 1.951070  -1.860794      2.754796  
1 1 1 -4  2  4  o 363.6238 2.370247  67789.48   883.1701 67453.40  2129.100 68027.70   1509.200 362.1360 5.737543  364.0303 4.045860  -1.894287      7.020568  
1 1 1 -4  2  5  o 209.8044 1.417659  22558.49   304.7788 21580.30  721.1000 23274.60   527.9000 205.0762 3.431484  213.0558 2.418021  -7.979599      4.197845  
1 1 1 -4  2  6  o 252.4704 1.658812  32670.63   429.1470 32796.50  1045.600 32583.00   727.9000 252.7155 4.037712  252.0396 2.818413  0.6759338      4.924080  
1 1 1 -4  2  7  o 38.59875 0.3557794 763.3488   14.07189 794.8000  35.30000 742.5000   23.40000 39.38403 0.8746941 38.06733 0.5998809 1.316692       1.060635  
1 1 1 -4  2  8  o 193.0347 1.314310  19096.31   259.9749 19294.80  642.2000 18961.30   436.8000 193.9114 3.231980  192.3062 2.216618  1.605164       3.919067  
1 1 1 -4  2  9  o 118.7645 0.8792232 7227.483   107.0001 6808.400  261.3000 7518.100   181.2000 115.2379 2.212817  121.1177 1.459998  -5.879768      2.651066  
1 1 1 -4  2  10 o 281.1468 1.875066  40514.18   540.1919 41281.90  1320.200 39982.50   914.3000 283.5242 4.544136  279.1904 3.195875  4.333740       5.555429  
1 1 1 -4  2  11 o 77.04911 0.6533062 3041.728   51.58017 3609.300  141.1000 2714.700   81.30000 83.92179 1.640794  72.78696 1.090031  11.13483       1.969866  
1 1 1 -4  2  12 o 44.82832 0.4005128 1029.624   18.39786 1042.300  41.90000 1019.700   32.80000 45.10234 0.9066018 44.61119 0.7175161 0.4911537      1.156182  
1 1 1 -4  2  13 o 171.5144 2.054037  0.000000   0.000000 ?         ?        15076.10   361.0000 ?        ?         171.5144 2.054037  0.000000       2.054037  
1 1 1 -4  2  14 o 37.25934 0.7019420 0.000000   0.000000 ?         ?        711.3000   26.80000 ?        ?         37.25934 0.7019420 0.000000       0.7019420 
1 1 1 -4  2  15 o 116.3490 1.472028  0.000000   0.000000 ?         ?        6936.800   175.5000 ?        ?         116.3490 1.472028  0.000000       1.472028  
1 1 1 -4  2  16 o 362.5779 4.121551  0.000000   0.000000 ?         ?        67439.00   1531.300 ?        ?         362.5779 4.121551  0.000000       4.121551  
1 1 1 -4  2  17 o 159.5192 1.139650  13038.84   186.2871 13268.90  457.8000 12881.00   314.1000 160.8793 2.777009  158.5353 1.933497  2.343964       3.383812  
1 1 1 -4  2  18 o 277.2670 1.853412  39400.14   526.5850 39453.10  1281.500 39363.20   893.9000 277.2443 4.510842  277.0569 3.148629  0.1873474      5.501051  
1 1 1 -4  2  19 o 71.60947 0.6324967 2627.410   46.41165 2313.200  106.6000 2869.700   82.20000 67.18407 1.548433  74.83542 1.071930  -7.651344      1.883263  
1 1 1 -4  2  20 o 209.2982 1.491960  22450.61   319.9786 21160.10  743.2000 23426.30   561.9000 203.0514 3.571917  213.7359 2.565567  -10.68445      4.397809  
1 1 1 -4  2  21 o 127.3610 0.9770254 8312.074   127.5090 7841.800  289.3000 8682.700   228.0000 123.6626 2.283031  130.1485 1.709611  -6.485939      2.852192  
1 1 1 -4  2  22 o 142.4747 1.060202  10402.62   154.7835 10192.00  377.2000 10549.20   262.5000 140.9437 2.611726  143.4450 1.785852  -2.501251      3.163918  
1 1 1 -4  2  23 o 153.2016 1.132791  12028.94   177.8327 12183.20  424.0000 11917.50   306.3000 154.0725 2.685606  152.4440 1.960822  1.628525       3.325252  
1 1 1 -4  2  24 o 115.6614 0.7580322 6855.017   89.84099 7085.300  181.5000 6629.300   177.9000 117.5629 1.506635  113.7160 1.526708  3.846870       2.144944  
1 1 1 -4  2  25 o 154.0906 0.9680627 12168.33   152.8544 11927.80  302.2000 12414.50   309.3000 152.5022 1.933838  155.5819 1.940093  -3.079712      2.739287  
1 1 1 -4  2  26 o 14.71785 0.6284092 111.1979   9.455498 132.0000  17.20000 85.80000   21.00000 16.01386 1.054036  12.83265 1.634007  3.181217       1.944472  
1 1 1 -4  2  27 o 91.15149 0.6376032 4257.453   59.55423 4119.000  113.5000 4410.300   125.3000 89.64178 1.235626  92.75442 1.318312  -3.112640      1.806853  
1 1 1 -4  2  28 o 131.0534 0.9671451 8802.377   129.8788 8645.800  217.0000 9035.800   323.5000 129.8454 1.630928  132.6756 2.379496  -2.830154      2.884775  
1 1 1 -4  2  29 o 70.62704 0.6115277 2556.076   44.25735 2427.900  73.30000 2751.400   111.7000 68.82395 1.039360  73.24954 1.488161  -4.425591      1.815184  
1 1 1 -4  2  30 f 45.03148 0.5208640 1039.094   24.03471 1119.500  44.40000 944.2000   52.40000 46.73501 0.9271334 42.89816 1.193208  3.836853       1.511067  
1 1 1 -4  2  31 o 147.0107 1.110009  11080.69   167.2146 11215.20  285.1000 10889.90   404.4000 147.8044 1.882398  145.4896 2.712569  2.314835       3.301735  
1 1 1 -4  2  32 f 90.10452 0.7086344 4161.141   65.42854 4047.200  107.7000 4337.500   166.7000 88.83472 1.183136  91.91047 1.769996  -3.075745      2.129013  
1 1 1 -4  2  33 f 41.82928 0.4706329 896.6363   20.17256 825.4000  29.50000 1050.700   63.80000 40.12794 0.7174254 45.22531 1.378313  -5.097366      1.553849  
1 1 1 -4  2  34 o 49.97572 0.5278466 1280.045   27.03119 1166.600  44.40000 1456.600   69.10000 47.69484 0.9084754 53.27057 1.265879  -5.575729      1.558133  
1 1 1 -4  2  35 o 54.46070 0.6764162 1520.578   37.74815 1475.800  72.80000 1568.800   78.40000 53.60490 1.325344  55.24464 1.386024  -1.639732      1.917706  
1 1 1 -4  3  1  o 146.2354 0.9910198 10958.13   148.5023 11289.70  380.4000 10745.80   243.6000 148.3734 2.501992  144.7934 1.641838  3.580078       2.992590  
1 1 1 -4  3  2  o 83.57822 0.4990828 3579.073   42.74291 3762.100  89.40000 3411.400   81.90000 85.68364 1.018219  81.59274 0.9795667 4.090904       1.412912  
1 1 1 -4  3  3  o 173.9890 0.9890872 15512.25   176.3416 14810.90  338.0000 16277.30   368.7000 169.9752 1.940585  178.1870 2.019290  -8.211792      2.800607  
1 1 1 -4  3  4  o 204.7281 1.163723  21478.88   244.1324 21672.20  494.8000 21290.60   481.9000 205.5829 2.348791  203.7679 2.307931  1.815033       3.292927  
1 1 1 -4  3  5  o 119.8440 0.7142140 7359.265   87.70876 7002.900  167.6000 7750.500   184.0000 116.8935 1.399217  122.9733 1.460188  -6.079727      2.022364  
1 1 1 -4  3  6  o 151.2735 0.8913468 11725.86   138.1681 11642.30  274.4000 11810.60   278.3000 150.7074 1.776852  151.7923 1.789226  -1.084915      2.521613  
1 1 1 -4  3  7  o 100.9859 0.6218424 5225.327   64.34867 4700.700  116.4000 5873.900   143.9000 95.77557 1.186041  107.0600 1.311702  -11.28444      1.768405  
1 1 1 -4  3  8  o 34.67951 0.3727175 616.2001   13.24497 543.5000  32.20000 667.0000   22.50000 32.55362 0.9663607 36.08018 0.6085768 -3.526566      1.142024  
1 1 1 -4  3  9  o 213.0974 2.516009  0.000000   0.000000 ?         ?        23281.40   549.4000 ?        ?         213.0974 2.516009  0.000000       2.516009  
1 1 1 -4  3  10 o 447.7859 5.067038  0.000000   0.000000 ?         ?        102958.0   2325.000 ?        ?         447.7859 5.067038  0.000000       5.067038  
1 1 1 -4  3  11 o 288.9390 3.263679  0.000000   0.000000 ?         ?        42807.00   966.3000 ?        ?         288.9390 3.263679  0.000000       3.263679  
1 1 1 -4  3  12 o 190.4711 2.246685  0.000000   0.000000 ?         ?        18593.90   438.5000 ?        ?         190.4711 2.246685  0.000000       2.246685  
1 1 1 -4  3  13 o 211.7931 2.463769  0.000000   0.000000 ?         ?        22991.40   534.7000 ?        ?         211.7931 2.463769  0.000000       2.463769  
1 1 1 -4  3  14 o 301.3188 3.416865  0.000000   0.000000 ?         ?        46555.70   1055.000 ?        ?         301.3188 3.416865  0.000000       3.416865  
1 1 1 -4  3  15 o 80.76300 1.111673  0.000000   0.000000 ?         ?        3342.200   92.00000 ?        ?         80.76300 1.111673  0.000000       1.111673  
1 1 1 -4  3  16 o 207.9331 2.415170  0.000000   0.000000 ?         ?        22162.30   514.6000 ?        ?         207.9331 2.415170  0.000000       2.415170  
1 1 1 -4  3  17 o 162.8416 1.963871  0.000000   0.000000 ?         ?        13590.80   327.7000 ?        ?         162.8416 1.963871  0.000000       1.963871  
1 1 1 -4  3  18 o 149.4808 1.844966  0.000000   0.000000 ?         ?        11452.20   282.6000 ?        ?         149.4808 1.844966  0.000000       1.844966  
1 1 1 -4  3  19 o 174.9077 2.128567  0.000000   0.000000 ?         ?        15683.10   381.5000 ?        ?         174.9077 2.128567  0.000000       2.128567  
1 1 1 -4  3  20 o 87.76080 0.7118157 3946.417   64.01275 4142.100  155.3000 3809.200   108.9000 89.89435 1.685935  86.21495 1.232670  3.679398       2.088505  
1 1 1 -4  3  21 o 76.53017 0.5779505 3000.965   45.32332 3067.900  92.90000 2937.200   88.50000 77.37141 1.171755  75.70588 1.140815  1.665535       1.635381  
1 1 1 -4  3  22 o 93.24802 0.6532212 4455.426   62.41634 4641.600  127.8000 4277.700   122.0000 95.16251 1.310589  91.35622 1.303237  3.806290       1.848262  
1 1 1 -4  3  23 o 154.5023 0.9565678 12233.12   151.4430 12126.80  296.0000 12344.50   310.1000 153.7796 1.878428  155.1485 1.950544  -1.368866      2.707973  
1 1 1 -4  3  24 o 93.69557 0.6346650 4498.345   60.93432 4641.500  125.1000 4362.400   118.8000 95.15914 1.282946  92.25458 1.256696  2.904564       1.795894  
1 1 1 -4  3  25 o 71.54617 0.5424839 2622.871   39.77147 2749.100  80.30000 2499.000   78.80000 73.23888 1.069979  69.82733 1.101292  3.411552       1.535480  
1 1 1 -4  3  26 o 56.88044 0.4821681 1657.770   28.10346 1536.600  53.10000 1794.000   59.70000 54.75686 0.9463627 59.16496 0.9847168 -4.408104      1.365749  
1 1 1 -4  3  27 o 126.7319 0.8015894 8230.560   104.0965 7973.600  207.0000 8490.500   209.4000 124.6984 1.619985  128.6790 1.588074  -3.980515      2.268553  
1 1 1 -4  3  28 o 39.99570 0.4914167 819.6576   20.14010 710.4000  38.20000 941.5000   42.60000 37.21618 1.002603  42.86006 0.9699703 -5.643887      1.395011  
1 1 1 -4  3  29 o 121.4500 0.8025882 7559.317   99.88232 7131.900  188.0000 8043.800   213.1000 117.9219 1.555840  125.2251 1.660710  -7.303177      2.275653  
1 1 1 -4  3  30 o 58.25544 0.4629756 1738.952   27.63713 1607.800  50.60000 1896.800   60.90000 56.00775 0.8816659 60.83084 0.9770013 -4.823090      1.316004  
1 1 1 -4  3  31 o 17.21550 0.5050430 152.0017   8.899723 205.4000  19.90000 108.8000   16.10000 19.99292 0.9742895 14.52640 1.089546  5.466521       1.461626  
1 1 1 -4  3  32 o 38.09669 0.4556667 743.7237   17.78824 828.9000  33.60000 647.9000   37.80000 40.21210 0.8154251 35.53086 1.039333  4.681240       1.321034  
1 1 1 -4  3  33 o 25.64806 0.5156914 337.1262   13.55323 308.1000  22.00000 383.7000   35.30000 24.49723 0.8778290 27.31514 1.264600  -2.817909      1.539414  
1 1 1 -4  3  34 o 50.16907 0.4829496 1289.931   24.82768 1278.200  41.50000 1307.400   61.80000 49.92726 0.8111702 50.47021 1.194964  -0.5429497     1.444277  
1 1 1 -4  3  35 o 18.49693 1.257888  0.000000   0.000000 ?         ?        176.5000   23.70000 ?        ?         18.49693 1.257888  0.000000       1.257888  
1 1 1 -4  4  1  o 108.8439 0.6533917 6070.168   72.87458 5999.900  146.1000 6140.100   145.4000 108.2028 1.317690  109.4601 1.296314  -1.257286      1.848442  
1 1 1 -4  4  2  o 324.9535 1.793944  54124.71   597.3494 54899.60  1217.000 53377.70   1173.200 327.0561 3.631366  322.5034 3.550090  4.552673       5.078382  
1 1 1 -4  4  3  o 94.83424 0.5760863 4608.055   55.98235 5004.200  125.6000 4289.500   101.0000 98.81877 1.240372  91.49265 1.077300  7.326126       1.642893  
1 1 1 -4  4  4  o 236.8000 1.339190  28736.29   324.9544 28634.70  657.7000 28835.50   642.3000 236.2973 2.716256  237.1303 2.643337  -0.8329468     3.790155  
1 1 1 -4  4  5  o 261.4617 1.474761  35034.61   395.1191 35030.30  793.3000 35038.90   787.2000 261.3428 2.962297  261.3770 2.939134  -0.3424072E-01 4.172974  
1 1 1 -4  4  6  o 318.9369 2.070522  52140.96   676.6794 52420.90  1638.400 51944.00   1152.800 319.4339 5.005420  318.1929 3.535616  1.241058       6.128198  
1 1 1 -4  4  7  o 101.7141 0.7537705 5300.957   78.56310 5618.800  195.6000 5087.600   131.3000 104.7052 1.823065  99.64095 1.285963  5.064278       2.230979  
1 1 1 -4  4  8  f 172.4225 1.200085  15233.82   212.0335 14880.70  496.1000 15497.40   370.3000 170.3651 2.841778  173.8868 2.078206  -3.521713      3.520603  
1 1 1 -4  4  9  o 175.1086 1.209828  15711.96   217.0848 15973.80  537.2000 15534.40   364.3000 176.5136 2.970020  174.0989 2.042042  2.414703       3.604297  
1 1 1 -4  4  10 o 193.2973 1.328746  19145.74   263.1881 17730.10  607.1000 20229.10   464.6000 185.9610 3.185957  198.6677 2.282199  -12.70673      3.919025  
1 1 1 -4  4  11 o 75.54538 0.6152463 2924.119   47.62722 3246.700  130.8000 2739.400   74.90000 79.59760 1.603649  73.11882 0.9996645 6.478775       1.889715  
1 1 1 -4  4  12 o 147.1822 1.757083  0.000000   0.000000 ?         ?        11101.20   265.0000 ?        ?         147.1822 1.757083  0.000000       1.757083  
1 1 1 -4  4  13 o 190.7018 2.241409  0.000000   0.000000 ?         ?        18639.50   438.0000 ?        ?         190.7018 2.241409  0.000000       2.241409  
1 1 1 -4  4  14 o 94.92682 1.253189  0.000000   0.000000 ?         ?        4617.400   121.9000 ?        ?         94.92682 1.253189  0.000000       1.253189  
1 1 1 -4  4  15 o 235.6698 2.728043  0.000000   0.000000 ?         ?        28473.20   658.8000 ?        ?         235.6698 2.728043  0.000000       2.728043  
1 1 1 -4  4  16 o 259.5142 2.955719  0.000000   0.000000 ?         ?        34532.50   786.0000 ?        ?         259.5142 2.955719  0.000000       2.955719  
1 1 1 -4  4  17 o 88.93494 0.6927620 4052.607   63.13277 3823.800  142.9000 4233.700   113.1000 86.37843 1.614465  90.89564 1.214287  -4.517204      2.020145  
1 1 1 -4  4  18 o 150.2305 1.076172  11565.05   165.6679 11537.30  391.5000 11585.40   287.2000 150.0002 2.547073  150.3409 1.864271  -0.3406372     3.156436  
1 1 1 -4  4  19 o 90.19686 0.7191772 4168.550   66.47000 3974.200  156.4000 4312.200   115.6000 88.05269 1.733388  91.73095 1.229826  -3.678261      2.125348  
1 1 1 -4  4  20 o 102.8441 0.7776071 5419.697   81.94790 5690.000  202.4000 5235.800   137.7000 105.3494 1.874909  101.0734 1.329532  4.275970       2.298464  
1 1 1 -4  4  21 o 76.91479 0.6586174 3031.305   51.90885 2649.900  113.3000 3353.800   95.80000 71.89804 1.537852  80.89474 1.155705  -8.996696      1.923705  
1 1 1 -4  4  22 o 158.6822 1.149070  12905.28   186.8414 13606.90  458.6000 12422.90   315.3000 162.8124 2.748832  155.6382 1.977012  7.174210       3.385949  
1 1 1 -4  4  23 o 139.5156 1.037364  9975.533   148.3038 10469.80  373.2000 9649.600   246.1000 142.8286 2.549929  137.1817 1.750722  5.646957       3.093083  
1 1 1 -4  4  24 o 274.6783 1.844366  38692.78   519.1224 40239.40  1287.600 37648.00   869.8000 279.4584 4.496405  270.7014 3.135672  8.757019       5.481797  
1 1 1 -4  4  25 o 122.2394 0.7777416 7657.163   97.41926 8100.400  203.6000 7250.500   186.8000 125.6925 1.580774  118.9186 1.532953  6.773941       2.201997  
1 1 1 -4  4  26 o 106.3133 0.6852344 5791.719   74.64916 5827.200  148.8000 5756.000   149.8000 106.6151 1.362027  105.9610 1.379645  0.6541443      1.938695  
1 1 1 -4  4  27 o 187.9086 1.139547  18098.99   219.4206 17611.80  424.4000 18620.50   454.3000 185.2454 2.235783  190.4628 2.327739  -5.217407      3.227552  
1 1 1 -4  4  28 o 94.34099 0.6347564 4560.780   61.36291 4837.200  128.2000 4307.000   117.7000 97.13348 1.288014  91.65730 1.253173  5.476173       1.797060  
1 1 1 -4  4  29 o 110.2412 0.7655797 6228.373   86.48335 6326.600  180.9000 6138.400   165.7000 111.0568 1.589626  109.4012 1.478094  1.655579       2.170639  
1 1 1 -4  4  30 o 82.27907 0.5684873 3469.179   47.93013 3252.900  91.30000 3708.200   100.9000 79.65208 1.118601  85.04179 1.157872  -5.389702      1.609949  
1 1 1 -4  4  31 o 8.531024 0.9603754 37.78363   8.249697 23.90000  16.60000 51.50000   16.40000 6.848906 2.135177  9.879809 1.680018  -3.030903      2.716881  
1 1 1 -4  4  32 o 29.17404 0.3860628 436.1333   11.54125 499.9000  24.40000 378.9000   21.90000 31.22804 0.7625121 27.17541 0.7872770 4.052624       1.096006  
1 1 1 -4  4  33 o 41.32660 0.4674017 875.2554   19.79331 917.3000  34.80000 819.8000   45.90000 42.29741 0.8029105 39.95686 1.122156  2.340549       1.379819  
1 1 1 -4  4  34 o 46.85789 0.4667417 1125.288   22.41082 1033.900  36.10000 1274.900   59.10000 44.90266 0.7845792 49.83746 1.157266  -4.934799      1.398152  
1 1 1 -4  5  1  o 499.8002 2.714456  128062.3   1390.201 126855.0  2764.000 129284.0   2797.000 496.9930 5.427369  501.7258 5.440361  -4.732758      7.684651  
1 1 1 -4  5  2  o 89.00938 0.6340302 4059.330   57.82880 4339.600  145.9000 3875.300   95.80000 92.02335 1.547244  86.96568 1.075027  5.057663       1.884051  
1 1 1 -4  5  3  o 238.1552 1.548200  29065.19   377.8204 29113.90  912.9000 29030.80   644.6000 238.2425 3.739431  237.9699 2.643443  0.2726440      4.579425  
1 1 1 -4  5  4  o 261.4843 1.692346  35039.52   453.4539 33508.80  1053.900 36195.50   795.9000 255.5745 4.024237  265.7030 2.923234  -10.12854      4.973910  
1 1 1 -4  5  5  o 98.21524 0.7056131 4942.453   71.01398 4976.700  171.3000 4918.200   121.3000 98.54607 1.696366  97.97042 1.208280  0.5756531      2.082690  
1 1 1 -4  5  6  o 254.7280 1.656979  33251.21   432.5061 31569.50  994.6000 34545.20   765.3000 248.0910 3.912362  259.5856 2.877085  -11.49457      4.856357  
1 1 1 -4  5  7  f 93.85148 0.6918177 4512.996   66.53209 4064.400  148.1000 4878.900   120.8000 89.05835 1.622864  97.57868 1.208130  -8.520332      2.023182  
1 1 1 -4  5  8  o 39.78340 0.3913118 810.9174   15.95229 748.9000  37.80000 856.2000   27.60000 38.21865 0.9659758 40.87870 0.6588911 -2.660046      1.169293  
1 1 1 -4  5  9  o 107.8774 0.7778904 5962.756   85.98985 5728.500  197.5000 6143.400   152.3000 105.7274 1.822978  109.4947 1.357402  -3.767342      2.272837  
1 1 1 -4  5  10 o 194.3337 1.314015  19351.60   261.6657 19008.30  631.5000 19594.50   446.8000 192.5451 3.200682  195.5274 2.230012  -2.982315      3.900938  
1 1 1 -4  5  11 o 305.4914 2.007537  47829.30   628.4358 48042.50  1519.800 47679.00   1071.500 305.9545 4.847650  304.9251 3.429261  1.029327       5.937975  
1 1 1 -4  5  12 o 206.7410 1.399818  21902.11   296.5490 20913.00  697.1000 22634.40   516.1000 201.9472 3.368673  210.1387 2.396787  -8.191498      4.134313  
1 1 1 -4  5  13 o 102.5465 0.7658645 5388.031   80.47684 6032.800  221.2000 5019.300   126.5000 108.4942 1.989667  98.97154 1.247331  9.522636       2.348320  
1 1 1 -4  5  14 o 217.9611 1.264028  24343.70   282.3151 23631.20  561.3000 25064.70   568.0000 214.7022 2.551292  221.1206 2.506807  -6.418335      3.576754  
1 1 1 -4  5  15 o 201.6892 1.210093  20844.62   250.0919 20239.80  494.5000 21463.50   506.0000 198.6999 2.428680  204.6191 2.413270  -5.919266      3.423793  
1 1 1 -4  5  16 o 225.6195 1.515888  26087.54   350.4630 27614.20  901.4000 25116.40   573.4000 231.9709 3.792152  221.3296 2.528249  10.64127       4.557682  
1 1 1 -4  5  17 o 207.2298 1.428842  22008.54   303.4135 23449.50  779.7000 21090.60   496.7000 213.7544 3.559706  202.8124 2.390019  10.94199       4.287621  
1 1 1 -4  5  18 o 163.8158 1.140500  13752.13   191.4475 14527.40  488.1000 13251.80   315.0000 168.2804 2.830590  160.7782 1.911987  7.502197       3.415836  
1 1 1 -4  5  19 o 155.5874 1.083801  12405.52   172.7915 12204.10  407.5000 12553.80   300.0000 154.2385 2.578318  156.4797 1.870961  -2.241257      3.185627  
1 1 1 -4  5  20 o 39.21472 0.4695331 787.9313   18.86747 840.5000  54.00000 759.7000   29.00000 40.47398 1.303726  38.50439 0.7350035 1.969593       1.496640  
1 1 1 -4  5  21 o 188.4415 1.297940  18201.48   250.6279 17859.70  590.4000 18453.60   435.5000 186.4783 3.089725  189.6619 2.240834  -3.183670      3.816770  
1 1 1 -4  5  22 o 133.3517 0.9739386 9113.287   133.0848 8714.200  303.2000 9425.500   237.2000 130.3263 2.270381  135.5813 1.707327  -5.254990      2.840703  
1 1 1 -4  5  23 o 106.1992 0.7942514 5779.482   86.43264 5768.800  201.6000 5787.500   151.3000 106.0588 1.855007  106.2533 1.389627  -0.1944885     2.317782  
1 1 1 -4  5  24 o 168.3381 1.169564  14524.80   201.7459 15170.10  510.9000 14103.70   333.4000 171.8566 2.901157  165.8187 1.962157  6.037964       3.502395  
1 1 1 -4  5  25 o 51.54914 0.4828836 1361.580   25.50717 1390.500  60.50000 1340.500   44.10000 52.08506 1.133558  51.14470 0.8414717 0.9403610      1.411747  
1 1 1 -4  5  26 o 180.8767 1.262473  16771.42   233.9930 16367.60  542.1000 17078.10   411.7000 178.4670 2.964306  182.4216 2.202451  -3.954620      3.692952  
1 1 1 -4  5  27 o 56.09525 0.5050814 1612.367   29.03259 1404.300  62.00000 1795.600   54.60000 52.33981 1.156009  59.19046 0.9002073 -6.850647      1.465172  
1 1 1 -4  5  28 o 3.259234 1.353441  1.189655   7.435110 10.20000  20.10000 -4.100000  11.80000 5.862318 2.297818  3.627207 1.605731  2.235111       2.803273  
1 1 1 -4  5  29 o 40.28919 0.3862472 831.7269   15.94602 914.4000  34.30000 759.9000   29.80000 42.23863 0.7924756 38.50585 0.7552507 3.732777       1.094724  
1 1 1 -4  5  30 o 34.13039 0.3831414 596.8882   13.39981 660.5000  26.70000 532.8000   26.90000 35.89853 0.7258322 32.23028 0.8151518 3.668255       1.091469  
1 1 1 -4  5  31 f 71.79820 0.5090032 2641.732   37.44833 2542.300  74.40000 2742.500   75.40000 70.41058 1.031185  73.13191 1.006158  -2.721336      1.440728  
1 1 1 -4  5  32 o 99.86510 0.7839906 5113.047   80.22745 5163.800  136.9000 5041.200   193.8000 100.2977 1.332030  99.00144 1.910354  1.296295       2.328896  
1 1 1 -4  5  33 o 66.98189 0.5865901 2299.740   40.26155 2397.600  68.00000 2157.700   98.70000 68.36542 0.9706755 64.80135 1.486397  3.564072       1.775271  
1 1 1 -4  5  34 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -4  6  1  o 408.8365 3.633249  0.000000   0.000000 ?         ?        85716.40   1522.100 ?        ?         408.8365 3.633249  0.000000       3.633249  
1 1 1 -4  6  2  o 319.2304 2.048703  52227.92   670.1650 49857.40  1536.300 54062.10   1188.700 311.6982 4.809982  324.6916 3.572751  -12.99347      5.991701  
1 1 1 -4  6  3  o 103.4500 0.7235540 5483.336   76.70078 4824.900  163.6000 6064.500   144.4000 97.03297 1.645378  108.7898 1.295331  -11.75681      2.094075  
1 1 1 -4  6  4  o 287.1624 1.864214  42259.89   548.5571 41358.30  1300.200 42917.90   948.9000 283.9200 4.469056  289.3214 3.200675  -5.401367      5.496980  
1 1 1 -4  6  5  f 325.1328 2.103097  54178.18   700.6779 53481.10  1670.700 54681.70   1206.800 322.7960 5.050937  326.5419 3.606600  -3.745972      6.206410  
1 1 1 -4  6  6  o 113.4413 0.8107534 6593.733   94.24504 6201.700  215.0000 6899.700   167.8000 110.0056 1.907327  116.0380 1.411216  -6.032326      2.372641  
1 1 1 -4  6  7  o 189.2456 1.270270  18351.48   246.3317 18632.40  599.8000 18155.70   418.0000 190.6342 3.070488  188.2122 2.167355  2.421921       3.758367  
1 1 1 -4  6  8  o 336.8929 2.191723  58171.24   756.6166 56359.20  1776.000 59516.20   1318.200 331.3245 5.231076  340.6446 3.776429  -9.320129      6.451789  
1 1 1 -4  6  9  o 227.6351 1.524382  26553.66   355.5753 26667.00  869.9000 26475.30   601.4000 228.0197 3.723048  227.2612 2.582497  0.7584839      4.531045  
1 1 1 -4  6  10 o 77.22732 0.5060446 3055.759   40.04591 2806.600  74.20000 3347.900   87.00000 74.00983 0.9783992 80.83192 1.050360  -6.822083      1.435451  
1 1 1 -4  6  11 o 262.7024 1.467185  35365.07   394.9548 35446.00  795.6000 35285.30   784.3000 262.9307 2.952943  262.3363 2.917598  0.5944214      4.151175  
1 1 1 -4  6  12 o 50.72705 0.4318386 1318.423   22.44706 1469.200  47.70000 1184.400   42.40000 53.54779 0.8693177 48.07846 0.8606309 5.469326       1.223274  
1 1 1 -4  6  13 o 238.4882 1.366611  29146.12   333.9721 29086.80  669.9000 29205.10   666.0000 238.1799 2.744773  238.6652 2.723246  -0.4852295     3.866503  
1 1 1 -4  6  14 o 130.4429 0.7808828 8718.444   104.3770 8409.500  205.7000 9036.700   211.9000 128.0977 1.567092  132.7890 1.557294  -4.691238      2.209285  
1 1 1 -4  6  15 o 46.02971 0.3661604 1085.556   17.27062 1030.900  35.10000 1138.500   34.00000 44.85466 0.7636619 47.13769 0.7039021 -2.283028      1.038584  
1 1 1 -4  6  16 o 70.71292 0.4814865 2562.013   34.88842 2813.100  76.70000 2352.500   64.00000 74.09258 1.010235  67.75675 0.9217837 6.335823       1.367574  
1 1 1 -4  6  17 o 82.48158 0.5427286 3485.823   45.87099 3571.100  95.00000 3406.200   88.70000 83.47739 1.110597  81.52804 1.061740  1.949348       1.536463  
1 1 1 -4  6  18 o 44.08030 0.3931081 995.5697   17.75640 1085.900  34.40000 899.2000   36.70000 46.03480 0.7292457 41.89000 0.8549828 4.144802       1.123742  
1 1 1 -4  6  19 o 33.10912 0.3822172 561.6675   12.96750 607.5000  27.30000 520.2000   24.70000 34.43160 0.7737615 31.86182 0.7565333 2.569778       1.082150  
1 1 1 -4  6  20 o 190.8364 1.122063  18665.27   219.4204 18720.60  444.0000 18611.20   433.8000 191.0219 2.268305  190.4681 2.222639  0.5538788      3.175741  
1 1 1 -4  6  21 o 83.17124 0.6652553 3544.605   56.69698 3434.600  122.7000 3639.100   105.4000 81.85130 1.462920  84.26038 1.220728  -2.409088      1.905338  
1 1 1 -4  6  22 o 128.6183 0.9193681 8477.757   121.1687 8181.200  280.7000 8703.000   213.2000 126.2776 2.169290  130.2833 1.596982  -4.005676      2.693728  
1 1 1 -4  6  23 o 63.55993 0.5502500 2070.024   35.83784 1881.700  78.00000 2230.100   66.30000 60.58795 1.256348  65.96509 0.9808465 -5.377136      1.593885  
1 1 1 -4  6  24 o 99.59148 0.7592385 5082.694   77.48163 5120.500  186.4000 5055.800   132.6000 99.91679 1.820577  99.30956 1.303029  0.6072311      2.238836  
1 1 1 -4  6  25 o 123.1837 0.8903659 7776.697   112.3881 7602.400  258.9000 7910.400   198.6000 121.7207 2.075722  124.2025 1.560452  -2.481781      2.596850  
1 1 1 -4  6  26 o 77.14778 0.6170880 3049.870   48.78305 3295.100  121.3000 2884.900   81.60000 80.16063 1.476731  75.02111 1.061471  5.139519       1.818641  
1 1 1 -4  6  27 o 27.59551 0.4737478 390.2032   13.39628 444.4000  34.50000 355.8000   21.90000 29.41989 1.146600  26.33575 0.8124936 3.084139       1.405289  
1 1 1 -4  6  28 o 193.6346 1.357499  19229.65   269.3525 18223.40  603.0000 20042.00   486.8000 188.0930 3.128574  197.4699 2.405755  -9.376923      3.946597  
1 1 1 -4  6  29 o 75.08204 0.6152110 2889.007   47.33240 2722.500  108.1000 3018.700   84.20000 72.84512 1.448194  76.72945 1.070907  -3.884323      1.801141  
1 1 1 -4  6  30 f 2.370749 1.148909  -14.59694  8.643454 -1.900000 21.40000 -23.20000  14.50000 5.187929 2.231047  3.116895 1.505056  2.071034       2.691238  
1 1 1 -4  6  31 o 2.566324 1.226782  -12.58838  9.094324 -7.900000 20.90000 -16.20000  16.10000 4.784425 2.126470  3.669354 1.716882  1.115071       2.733049  
1 1 1 -4  6  32 o 10.06746 0.9248388 52.42302   9.434272 29.00000  15.90000 86.60000   23.20000 7.390896 2.035092  12.84901 1.812332  -5.458116      2.725096  
1 1 1 -4  6  33 o 45.17918 0.4575178 1046.120   21.18091 1062.700  38.90000 1026.300   46.50000 45.51921 0.8339816 44.72166 1.014698  0.7975502      1.313445  
1 1 1 -4  7  1  o 165.3967 1.534670  0.000000   0.000000 ?         ?        14018.60   260.1000 ?        ?         165.3967 1.534670  0.000000       1.534670  
1 1 1 -4  7  2  o 102.2346 1.016608  0.000000   0.000000 ?         ?        5355.500   106.5000 ?        ?         102.2346 1.016608  0.000000       1.016608  
1 1 1 -4  7  3  o 265.3303 2.993913  0.000000   0.000000 ?         ?        36095.70   814.0000 ?        ?         265.3303 2.993913  0.000000       2.993913  
1 1 1 -4  7  4  f 128.2012 0.8877100 8421.328   116.6170 8361.500  280.5000 8463.900   199.6000 127.7253 2.143175  128.5170 1.515660  -0.7917175     2.624962  
1 1 1 -4  7  5  o 258.5110 1.683757  34247.42   446.0226 34105.20  1069.300 34349.20   765.2000 257.8296 4.047328  258.8362 2.885038  -1.006592      4.970343  
1 1 1 -4  7  6  o 248.2615 1.385008  31583.27   352.3384 30981.70  693.8000 32204.00   715.9000 245.8273 2.754265  250.6277 2.787564  -4.800385      3.918736  
1 1 1 -4  7  7  o 174.8483 1.016818  15664.97   182.1809 14976.90  350.3000 16410.60   379.6000 170.9433 1.999814  178.9361 2.070283  -7.992813      2.878425  
1 1 1 -4  7  8  o 339.7517 1.886281  59160.26   656.6992 59194.40  1314.900 59126.20   1311.900 339.6866 3.777600  339.4917 3.771145  0.1949768      5.337771  
1 1 1 -4  7  9  o 329.7202 1.828720  55718.07   617.8614 53982.60  1205.500 57542.80   1267.500 324.3948 3.626561  334.9134 3.693321  -10.51859      5.176154  
1 1 1 -4  7  10 o 79.14956 0.5227272 3209.794   42.39572 3466.200  91.10000 2986.600   79.30000 82.24648 1.080943  76.34527 1.013661  5.901215       1.481872  
1 1 1 -4  7  11 o 158.1261 0.9323109 12812.00   151.0646 13174.90  312.3000 12472.00   292.6000 160.3257 1.900949  155.9925 1.830510  4.333176       2.639010  
1 1 1 -4  7  12 f 194.2832 1.124585  19342.25   223.8855 19780.30  463.7000 18933.30   432.9000 196.4217 2.303824  192.1759 2.198317  4.245804       3.184369  
1 1 1 -4  7  13 o 245.2416 1.392626  30823.05   349.9670 30564.10  696.6000 31084.50   703.3000 244.1091 2.784845  246.1782 2.787999  -2.069092      3.940597  
1 1 1 -4  7  14 o 87.79518 0.5723326 3949.413   51.48936 3760.400  96.80000 4164.200   110.0000 85.66245 1.102774  90.14304 1.190864  -4.480591      1.623042  
1 1 1 -4  7  15 o 32.00157 0.3706345 524.7131   12.15389 512.7000  22.90000 538.3000   25.90000 31.63206 0.7064959 32.41183 0.7798262 -0.7797756     1.052267  
1 1 1 -4  7  16 o 79.64368 0.5320325 3250.105   43.41980 3178.200  85.90000 3323.600   87.80000 78.75056 1.064489  80.53181 1.063968  -1.781250      1.505047  
1 1 1 -4  7  17 o 195.8253 1.137926  19653.64   228.3395 19798.40  453.6000 19506.90   459.8000 196.4545 2.253267  194.9978 2.301129  1.456772       3.220622  
1 1 1 -4  7  18 o 103.4868 0.6862660 5487.733   72.77396 5279.700  146.1000 5694.200   145.0000 101.4861 1.404899  105.3970 1.342584  -3.910881      1.943264  
1 1 1 -4  7  19 o 41.32089 0.3873217 874.8341   16.39985 853.3000  32.70000 896.5000   32.90000 40.80656 0.7820229 41.82689 0.7676124 -1.020332      1.095805  
1 1 1 -4  7  20 o 32.64075 0.3893850 545.8935   13.02380 560.7000  25.80000 530.8000   26.30000 33.07838 0.7611620 32.18406 0.7974741 0.8943214      1.102421  
1 1 1 -4  7  21 o 125.6744 0.7645614 8093.557   98.45951 8553.300  209.2000 7684.800   186.0000 129.1569 1.580687  122.4297 1.482613  6.727165       2.167190  
1 1 1 -4  7  22 o 101.8215 0.6588730 5312.604   68.74472 5125.900  133.7000 5510.200   141.5000 99.99597 1.304820  103.6755 1.331932  -3.679527      1.864563  
1 1 1 -4  7  23 o 94.00113 0.6321640 4527.867   60.89214 5059.600  133.3000 4080.700   112.1000 99.34525 1.309437  89.22200 1.226127  10.12325       1.793882  
1 1 1 -4  7  24 o 108.4187 0.6844788 6023.539   76.04355 6222.100  153.5000 5828.600   150.7000 110.1630 1.359797  106.6216 1.379335  3.541435       1.936908  
1 1 1 -4  7  25 o 118.5725 0.7355109 7205.028   89.36582 6991.000  171.5000 7437.900   186.6000 116.7607 1.433405  120.4290 1.512106  -3.668251      2.083534  
1 1 1 -4  7  26 o 5.517432 1.483335  16.14277   8.566474 17.90000  19.00000 14.70000   15.60000 6.408808 2.289153  5.808744 2.074311  0.6000638      3.089173  
1 1 1 -4  7  27 o 91.91960 0.6834437 4330.131   64.37382 4583.300  155.0000 4150.300   110.1000 94.51184 1.600469  89.96592 1.194293  4.545921       1.996957  
1 1 1 -4  7  28 o 86.04729 0.6590712 3794.652   58.11228 3661.000  130.6000 3901.800   104.7000 84.46512 1.508924  87.22569 1.171396  -2.760567      1.910241  
1 1 1 -4  7  29 o 25.33842 0.4183131 328.9966   10.86124 333.5000  23.10000 325.0000   20.50000 25.48936 0.8857584 25.16662 0.7959338 0.3227310      1.190831  
1 1 1 -4  7  30 o 34.35081 0.4359048 604.6872   15.34359 613.6000  35.20000 597.8000   27.20000 34.57397 0.9945959 34.14704 0.7773516 0.4269295      1.262338  
1 1 1 -4  7  31 o 31.05092 0.5504757 494.1859   17.51504 412.0000  29.60000 613.3000   42.90000 28.31949 1.021693  34.54346 1.213860  -6.223965      1.586604  
1 1 1 -4  7  32 o 54.82545 0.5539535 1540.766   31.12103 1581.000  60.40000 1498.000   64.20000 55.50187 1.062016  54.01638 1.159875  1.485489       1.572637  
1 1 1 -4  8  1  o 135.2023 1.273979  0.000000   0.000000 ?         ?        9367.200   176.5000 ?        ?         135.2023 1.273979  0.000000       1.273979  
1 1 1 -4  8  2  o 114.0123 1.104180  0.000000   0.000000 ?         ?        6660.800   129.0000 ?        ?         114.0123 1.104180  0.000000       1.104180  
1 1 1 -4  8  3  o 64.06104 0.4430479 2102.642   29.08326 2393.200  92.60000 1969.600   42.40000 68.33856 1.322351  62.00044 0.6673793 6.338123       1.481218  
1 1 1 -4  8  4  o 223.4679 1.492294  25591.81   341.7181 24606.00  817.4000 26300.00   587.2000 218.9937 3.642543  226.4888 2.530120  -7.495056      4.435045  
1 1 1 -4  8  5  o 158.7464 0.9391729 12912.72   152.7734 12710.90  297.0000 13126.50   314.6000 157.4794 1.840494  160.0306 1.918480  -2.551239      2.658568  
1 1 1 -4  8  6  o 92.40328 1.142724  0.000000   0.000000 ?         ?        4375.300   108.2000 ?        ?         92.40328 1.142724  0.000000       1.142724  
1 1 1 -4  8  7  o 214.5273 1.220437  23583.69   268.2850 23976.90  554.8000 23215.50   519.5000 216.2460 2.503745  212.7924 2.382490  3.453598       3.456153  
1 1 1 -4  8  8  f 32.06882 0.4197587 526.9194   13.79371 463.1000  22.10000 632.9000   36.70000 30.06345 0.7173897 35.12942 1.020604  -5.065975      1.247510  
1 1 1 -4  8  9  o 229.4060 1.310866  26970.11   308.1496 27111.60  615.6000 26828.30   617.0000 229.9246 2.612852  228.7185 2.632604  1.206100       3.709124  
1 1 1 -4  8  10 o 185.7848 1.070787  17687.43   203.8504 18513.80  433.5000 16953.90   384.8000 190.0200 2.226340  181.8483 2.065035  8.171692       3.036603  
1 1 1 -4  8  11 o 302.0857 1.692980  46777.55   524.0591 45462.70  1034.500 48127.50   1062.100 297.5943 3.392403  306.1932 3.385100  -8.598846      4.792421  
1 1 1 -4  8  12 o 65.07610 0.4576845 2169.844   30.52011 2405.500  66.10000 1967.700   56.70000 68.51450 0.9415005 61.96734 0.8929390 6.547161       1.297599  
1 1 1 -4  8  13 o 60.97108 0.4390962 1904.732   27.43354 1748.300  51.20000 2085.300   59.10000 58.41042 0.8554237 63.79148 0.9041207 -5.381065      1.244662  
1 1 1 -4  8  14 o 118.2179 0.7235544 7161.247   87.65018 7200.700  178.3000 7123.100   172.4000 118.5203 1.468116  117.8816 1.427227  0.6387100      2.047521  
1 1 1 -4  8  15 o ?        ?         -49.05918  8.571428 -43.60000 17.50000 -54.30000  16.80000 2.975861 1.478954  2.644062 1.332943  0.3317993      1.990991  
1 1 1 -4  8  16 o 153.1882 0.9226649 12025.98   144.8330 11508.80  278.3000 12587.20   302.0000 149.8079 1.812926  156.6640 1.881219  -6.856110      2.612602  
1 1 1 -4  8  17 o 76.43990 0.5257267 2993.938   41.17925 2718.000  76.20000 3318.400   89.60000 72.82423 1.021129  80.46499 1.086682  -7.640762      1.491168  
1 1 1 -4  8  18 o 29.27350 0.3614303 439.0709   10.84170 385.3000  21.10000 495.9000   22.30000 27.41039 0.7519335 31.10863 0.6995609 -3.698246      1.027030  
1 1 1 -4  8  19 o 196.4055 1.150498  19772.18   231.5464 20758.20  473.1000 18827.00   453.5000 201.1201 2.295616  191.5343 2.310641  9.585800       3.257133  
1 1 1 -4  8  20 o 51.92677 0.4206814 1381.580   22.38427 1531.500  49.30000 1256.900   41.00000 54.66629 0.8800937 49.52450 0.8079144 5.141792       1.194693  
1 1 1 -4  8  21 o 16.83778 0.6104113 145.4668   10.51445 207.9000  25.90000 102.8000   17.70000 20.09874 1.263972  14.10713 1.236941  5.991610       1.768515  
1 1 1 -4  8  22 o 88.83688 0.5864170 4043.986   53.38242 4302.200  111.4000 3806.400   102.5000 91.61136 1.186691  86.17197 1.160805  5.439384       1.660031  
1 1 1 -4  8  23 o 67.59717 0.4970877 2341.364   34.43181 2471.800  73.60000 2226.700   64.70000 69.44299 1.034311  65.91222 0.9579436 3.530769       1.409771  
1 1 1 -4  8  24 o 69.13197 0.4774109 2448.908   33.81969 2606.000  71.10000 2306.400   64.50000 71.30282 0.9731159 67.08007 0.9383563 4.222748       1.351838  
1 1 1 -4  8  25 o 52.02365 0.4259135 1386.793   22.70495 1447.700  46.80000 1329.400   44.10000 53.14599 0.8593636 50.92862 0.8450420 2.217373       1.205239  
1 1 1 -4  8  26 o 90.67815 0.5954067 4213.766   55.32414 4141.300  106.7000 4291.800   114.9000 89.86718 1.158684  91.48096 1.225719  -1.613785      1.686694  
1 1 1 -4  8  27 o 82.65879 0.5635393 3501.463   47.73222 3391.900  92.00000 3619.600   99.20000 81.32793 1.103951  84.00996 1.152345  -2.682030      1.595809  
1 1 1 -4  8  28 o 41.27752 0.3746693 873.0751   15.84748 915.2000  32.10000 832.0000   31.30000 42.25365 0.7413826 40.28681 0.7581987 1.966843       1.060431  
1 1 1 -4  8  29 o 17.59684 0.6171895 158.9136   11.11165 50.30000  17.90000 336.7000   29.30000 9.727717 1.863564  25.59242 1.119981  -15.86470      2.174220  
1 1 1 -4  8  30 o 87.78041 0.6798112 3950.415   61.14829 3960.000  104.2000 3936.800   148.0000 87.83325 1.157738  87.49152 1.650811  0.3417358      2.016317  
1 1 1 -4  8  31 o 74.01963 0.6051399 2808.762   45.89877 2875.500  82.60000 2725.300   103.3000 74.84665 1.076984  72.82195 1.384330  2.024704       1.753928  
1 1 1 -4  9  1  o 141.8302 1.159399  0.000000   0.000000 ?         ?        10308.70   168.5000 ?        ?         141.8302 1.159399  0.000000       1.159399  
1 1 1 -4  9  2  o 76.84592 0.7835487 0.000000   0.000000 ?         ?        3025.900   61.70000 ?        ?         76.84592 0.7835487 0.000000       0.7835487 
1 1 1 -4  9  3  o 132.3436 1.271264  0.000000   0.000000 ?         ?        8976.200   172.4000 ?        ?         132.3436 1.271264  0.000000       1.271264  
1 1 1 -4  9  4  o 319.6256 2.862712  0.000000   0.000000 ?         ?        52415.50   937.6000 ?        ?         319.6256 2.862712  0.000000       2.862712  
1 1 1 -4  9  5  o 236.0833 2.638938  0.000000   0.000000 ?         ?        28591.10   638.4000 ?        ?         236.0833 2.638938  0.000000       2.638938  
1 1 1 -4  9  6  o 245.3329 1.373896  30848.20   345.3885 29915.70  674.1000 31828.00   708.3000 241.4743 2.724301  249.0662 2.775263  -7.591934      3.888946  
1 1 1 -4  9  7  o 138.2693 0.8299918 9796.645   117.5974 9572.000  234.1000 10023.40   236.3000 136.6470 1.671871  139.8329 1.649133  -3.185928      2.348360  
1 1 1 -4  9  8  o 111.9089 0.6645049 6417.077   76.20112 6111.600  146.5000 6748.200   158.8000 109.1985 1.309250  114.7436 1.350591  -5.545044      1.881018  
1 1 1 -4  9  9  o 51.01632 0.3840025 1333.524   20.07435 1151.600  37.50000 1543.100   43.20000 47.40651 0.7719602 54.87626 0.7682470 -7.469746      1.089094  
1 1 1 -4  9  10 o 149.8738 0.8798559 11510.65   135.1250 11503.10  270.1000 11518.20   270.4000 149.7833 1.759799  149.8815 1.760599  -0.9822083E-01 2.489297  
1 1 1 -4  9  11 o 164.6315 0.9508356 13889.76   160.4046 14091.70  326.3000 13694.50   315.5000 165.7649 1.920994  163.4150 1.884123  2.349960       2.690750  
1 1 1 -4  9  12 o 217.2301 1.218530  24187.14   271.2405 23824.40  539.3000 24554.20   545.7000 215.4631 2.442638  218.7394 2.434605  -3.276352      3.448736  
1 1 1 -4  9  13 o 41.77869 0.3773676 894.3253   16.15540 746.7000  30.70000 1058.300   34.10000 38.17253 0.7848544 45.44511 0.7322659 -7.272583      1.073410  
1 1 1 -4  9  14 o 289.9299 1.632907  43101.58   485.1240 43177.50  980.3000 43027.20   960.4000 289.8367 3.300709  289.3488 3.239158  0.4879150      4.624589  
1 1 1 -4  9  15 o 340.5756 1.910932  59494.67   666.8946 59369.90  1319.300 59622.20   1348.600 339.6652 3.790480  340.3560 3.866797  -0.6908264     5.414782  
1 1 1 -4  9  16 o 50.50424 0.4162936 1306.917   21.54398 1221.500  41.00000 1401.500   45.40000 48.82210 0.8195379 52.29535 0.8472165 -3.473255      1.178736  
1 1 1 -4  9  17 o 174.9389 1.012172  15685.06   181.4426 15523.40  358.1000 15851.10   367.8000 173.9496 2.009011  175.7723 2.042034  -1.822647      2.864617  
1 1 1 -4  9  18 o 156.0747 0.9218607 12484.13   147.4335 12653.90  302.4000 12322.60   287.7000 157.0611 1.878948  154.9979 1.811405  2.063171       2.609911  
1 1 1 -4  9  19 o 81.57612 0.5401037 3409.884   45.14801 3457.800  90.90000 3362.600   89.70000 82.13448 1.080040  80.99590 1.080764  1.138573       1.527920  
1 1 1 -4  9  20 o 107.9101 0.6618436 5967.110   73.18393 5877.000  142.1000 6062.800   150.9000 107.0672 1.295208  108.7432 1.354218  -1.676071      1.873891  
1 1 1 -4  9  21 o 110.1699 0.6815844 6219.815   76.94509 5961.000  146.8000 6504.900   161.7000 107.8244 1.328650  112.6316 1.401043  -4.807159      1.930863  
1 1 1 -4  9  22 o 156.1296 0.9173893 12494.22   146.7700 12427.00  289.4000 12563.40   297.8000 155.6199 1.814826  156.4659 1.857405  -0.8460236     2.596834  
1 1 1 -4  9  23 o 90.78976 0.5896410 4223.978   54.85585 4054.700  107.7000 4399.700   111.8000 88.92738 1.181903  92.63365 1.177808  -3.706268      1.668570  
1 1 1 -4  9  24 o 44.86221 0.3831533 1031.261   17.61374 984.1000  33.70000 1082.900   36.90000 43.81884 0.7505345 45.96516 0.7834283 -2.146320      1.084925  
1 1 1 -4  9  25 o 23.17175 0.4196570 275.1316   9.964411 297.9000  20.60000 253.8000   19.30000 24.09253 0.8356887 22.23488 0.8486373 1.857653       1.191033  
1 1 1 -4  9  26 o 104.9235 0.6611419 5642.553   71.08298 5442.200  140.0000 5849.200   144.4000 102.9857 1.326638  106.7681 1.319859  -3.782326      1.871362  
1 1 1 -4  9  27 o 59.73804 0.4522233 1828.794   27.68231 1851.700  54.00000 1804.700   56.80000 60.09296 0.8769439 59.32213 0.9344008 0.7708282      1.281458  
1 1 1 -4  9  28 o 42.14194 0.4079289 910.1024   17.61560 1071.200  40.80000 787.7000   31.00000 45.70247 0.8712085 39.19496 0.7718503 6.507507       1.163940  
1 1 1 -4  9  29 o 28.91587 0.4339859 428.5136   12.85909 412.3000  20.50000 455.8000   34.50000 28.35692 0.7054991 29.77625 1.132775  -1.419329      1.334506  
1 1 1 -4  10 1  o 49.51794 0.5419656 0.000000   0.000000 ?         ?        1256.400   27.50000 ?        ?         49.51794 0.5419656 0.000000       0.5419656 
1 1 1 -4  10 2  o 123.9497 1.060532  0.000000   0.000000 ?         ?        7873.900   134.7000 ?        ?         123.9497 1.060532  0.000000       1.060532  
1 1 1 -4  10 3  o 54.56997 0.6563175 0.000000   0.000000 ?         ?        1525.900   36.70000 ?        ?         54.56997 0.6563175 0.000000       0.6563175 
1 1 1 -4  10 4  o 88.74590 0.9050096 0.000000   0.000000 ?         ?        4036.100   82.30000 ?        ?         88.74590 0.9050096 0.000000       0.9050096 
1 1 1 -4  10 5  o 91.96107 0.5978642 4333.308   56.33846 3939.000  144.6000 4585.000   92.30000 87.65012 1.609969  94.58685 0.9522973 -6.936729      1.870526  
1 1 1 -4  10 6  o 139.8601 0.9607232 10024.65   137.6862 9891.800  341.5000 10114.40   230.7000 138.8352 2.400450  140.4520 1.602955  -1.616821      2.886455  
1 1 1 -4  10 7  o 97.02210 0.7225242 4823.645   71.83258 4434.400  167.8000 5115.000   125.6000 92.99049 1.760983  99.89508 1.227007  -6.904587      2.146301  
1 1 1 -4  10 8  o 91.98759 0.5756668 4335.799   54.26238 4002.000  102.9000 4708.200   114.8000 88.36330 1.136436  95.84204 1.168927  -7.478737      1.630300  
1 1 1 -4  10 9  o 65.57454 0.4737558 2203.271   31.83378 2261.500  68.20000 2152.300   59.70000 66.42769 1.001929  64.80595 0.8990028 1.621735       1.346130  
1 1 1 -4  10 10 o 71.87342 0.4983428 2646.902   36.70243 2359.400  68.40000 2979.800   79.20000 67.85041 0.9837964 76.25027 1.013644  -8.399857      1.412561  
1 1 1 -4  10 11 o 86.98318 0.5474975 3876.856   48.79954 3858.600  97.90000 3895.000   97.30000 86.76574 1.101124  87.17438 1.089245  -0.4086380     1.548847  
1 1 1 -4  10 12 o 24.24387 0.7657700 0.000000   0.000000 ?         ?        301.5000   19.00000 ?        ?         24.24387 0.7657700 0.000000       0.7657700 
1 1 1 -4  10 13 o 11.31834 0.6337480 65.84915   7.320819 41.30000  14.30000 91.60000   15.00000 8.833317 1.640211  13.32228 1.108833  -4.488961      1.979849  
1 1 1 -4  10 14 o 29.06261 0.3823287 432.7720   11.38597 498.5000  23.60000 371.5000   22.00000 31.18948 0.7384235 26.91269 0.7986341 4.276789       1.087697  
1 1 1 -4  10 15 o 190.9217 1.086516  18683.50   212.5641 18476.20  422.1000 18893.80   428.2000 189.7423 2.170965  191.8736 2.177876  -2.131302      3.075099  
1 1 1 -4  10 16 o 40.84395 0.3706779 854.7625   15.51396 737.4000  29.20000 987.8000   33.10000 37.93351 0.7512103 43.90437 0.7357358 -5.970860      1.051486  
1 1 1 -4  10 17 o 108.0549 0.6718516 5983.180   74.39029 6082.300  150.5000 5886.300   147.1000 108.9179 1.348462  107.1491 1.339756  1.768822       1.900867  
1 1 1 -4  10 18 o 160.3831 0.9291465 13183.67   152.7007 12813.00  301.6000 13563.80   309.3000 158.0296 1.862492  162.5945 1.856418  -4.564850      2.629670  
1 1 1 -4  10 19 o 40.59444 0.4098158 844.3723   17.04722 750.4000  32.30000 949.4000   36.10000 38.26456 0.8237725 43.04035 0.8185270 -4.775787      1.161287  
1 1 1 -4  10 20 o 84.04224 0.5483608 3619.334   47.22396 3774.000  100.1000 3481.200   89.40000 85.79791 1.138568  82.40607 1.058717  3.391846       1.554741  
1 1 1 -4  10 21 o 36.43579 0.3676074 680.2322   13.72495 752.7000  27.40000 607.5000   27.50000 38.32381 0.6977238 34.42836 0.7795032 3.895443       1.046157  
1 1 1 -4  10 22 o 98.23124 0.6015418 4945.005   60.54996 4938.800  121.2000 4951.200   121.0000 98.13586 1.205248  98.25924 1.201748  -0.1233826     1.702006  
1 1 1 -4  10 23 o 166.1800 0.9778924 14158.86   166.5207 14916.80  347.9000 13463.00   319.4000 170.3832 1.992642  161.8831 1.925463  8.500153       2.770925  
1 1 1 -4  10 24 o 66.15356 0.4662172 2242.621   31.60385 2411.900  69.30000 2100.700   58.10000 68.58270 0.9860985 64.01060 0.8857800 4.572098       1.325517  
1 1 1 -4  10 25 o 49.62838 0.4054161 1262.127   20.61719 1398.900  45.50000 1148.800   37.70000 52.23308 0.8500949 47.33707 0.7772158 4.896011       1.151836  
1 1 1 -4  10 26 o 39.53381 0.3654961 800.9001   14.80641 754.6000  28.60000 850.6000   30.70000 38.36455 0.7275076 40.73158 0.7355442 -2.367027      1.034549  
1 1 1 -4  10 27 o 30.91904 0.4176578 489.9289   13.23259 501.4000  23.20000 474.7000   30.80000 31.27078 0.7240206 30.40045 0.9900380 0.8703270      1.226532  
1 1 1 -4  10 28 o 62.46232 0.4983529 1999.800   31.89727 1891.700  51.50000 2175.700   83.80000 60.72829 0.8275949 65.07847 1.256633  -4.350178      1.504672  
1 1 1 -4  11 1  o 105.2629 0.8890879 0.000000   0.000000 ?         ?        5678.500   95.90000 ?        ?         105.2629 0.8890879 0.000000       0.8890879 
1 1 1 -4  11 2  f 49.70842 0.5241830 0.000000   0.000000 ?         ?        1266.100   26.70000 ?        ?         49.70842 0.5241830 0.000000       0.5241830 
1 1 1 -4  11 3  o 34.73182 0.4945233 0.000000   0.000000 ?         ?        618.1000   17.60000 ?        ?         34.73182 0.4945233 0.000000       0.4945233 
1 1 1 -4  11 4  o 114.2903 1.103202  0.000000   0.000000 ?         ?        6695.200   129.2000 ?        ?         114.2903 1.103202  0.000000       1.103202  
1 1 1 -4  11 5  o 192.9681 1.797859  0.000000   0.000000 ?         ?        19099.10   355.5000 ?        ?         192.9681 1.797859  0.000000       1.797859  
1 1 1 -4  11 6  o 33.89754 0.3780821 588.7431   13.13266 666.4000  39.80000 550.5000   19.60000 36.04154 1.078874  32.77701 0.5835638 3.264526       1.226587  
1 1 1 -4  11 7  o 193.3596 1.143619  19164.37   226.5924 19569.60  629.9000 18936.70   353.9000 195.1054 3.150678  192.1443 1.797441  2.961014       3.627336  
1 1 1 -4  11 8  o 32.46804 0.3867103 540.1360   12.86590 507.3000  29.20000 566.0000   23.00000 31.44895 0.9070523 33.23455 0.6753667 -1.785604      1.130869  
1 1 1 -4  11 9  o 140.2891 0.9845233 10087.05   141.5299 9809.800  332.9000 10292.10   246.2000 138.2370 2.350126  141.6603 1.696061  -3.423309      2.898226  
1 1 1 -4  11 10 f 133.2268 0.7863554 9095.950   107.3517 8770.500  208.4000 9441.700   221.4000 130.7795 1.555105  135.6886 1.592340  -4.909134      2.225735  
1 1 1 -4  11 11 o 77.19431 0.4908236 3053.354   38.82479 3238.600  81.80000 2886.000   73.90000 79.49034 1.004247  75.03962 0.9610710 4.450722       1.390025  
1 1 1 -4  11 12 o 36.48142 0.3350433 681.9148   12.52481 818.4000  30.20000 585.2000   21.40000 39.96265 0.7374868 33.79379 0.6179859 6.168869       0.9621816 
1 1 1 -4  11 13 o 62.75081 0.4436136 2017.625   28.52480 1932.200  56.90000 2103.500   57.20000 61.40062 0.9043596 64.06532 0.8713140 -2.664692      1.255808  
1 1 1 -4  11 14 o 77.92806 0.4999475 3111.716   39.92240 2995.600  77.80000 3234.100   82.00000 76.44893 0.9931386 79.43350 1.007423  -2.984573      1.414647  
1 1 1 -4  11 15 o 63.71878 0.4592525 2080.378   29.98592 2081.400  61.30000 2079.400   58.70000 63.72530 0.9387506 63.69566 0.8993524 0.2963638E-01  1.300034  
1 1 1 -4  11 16 o 121.2591 0.7308928 7535.355   90.81681 7717.400  187.3000 7364.000   176.3000 122.6674 1.490083  119.8302 1.435779  2.837151       2.069253  
1 1 1 -4  11 17 o 59.37409 0.4276546 1806.353   26.01888 1994.200  57.10000 1649.100   47.80000 62.37527 0.8933574 56.72375 0.8223649 5.651520       1.214237  
1 1 1 -4  11 18 o 28.01842 0.3848676 402.2457   11.04977 368.3000  22.00000 436.5000   22.20000 26.79445 0.8021744 29.17431 0.7432034 -2.379866      1.093542  
1 1 1 -4  11 19 o 59.45234 0.4307348 1811.154   26.24081 1970.000  56.90000 1675.200   48.70000 61.99301 0.8957177 57.16862 0.8313289 4.824390       1.222055  
1 1 1 -4  11 20 o 23.39744 0.4435779 280.5204   10.63498 217.8000  22.10000 338.7000   20.50000 20.58321 1.051288  25.69400 0.7795181 -5.110798      1.308761  
1 1 1 -4  11 21 o 68.22699 0.4634069 2385.364   32.39792 2381.100  67.50000 2389.300   62.30000 68.14657 0.9666326 68.26761 0.8905842 -0.1210403     1.314351  
1 1 1 -4  11 22 o 20.18301 0.4641806 208.7500   9.600000 176.1000  19.20000 241.4000   19.20000 18.50276 1.016573  21.68149 0.8659409 -3.178732      1.335393  
1 1 1 -4  11 23 o 131.3627 0.7871579 8847.298   105.9577 9374.300  228.2000 8390.500   197.8000 135.0617 1.648865  127.8091 1.510311  7.252617       2.236022  
1 1 1 -4  11 24 o 68.81533 0.4777040 2426.992   33.68546 2427.400  68.80000 2426.600   66.00000 68.78854 0.9760543 68.78062 0.9364390 0.7926941E-02  1.352627  
1 1 1 -4  11 25 o 48.78352 0.3711724 1219.569   18.55441 1373.500  40.70000 1090.600   34.10000 51.75287 0.7674704 46.11854 0.7215734 5.634331       1.053413  
1 1 1 -4  11 26 o 29.20848 0.3754091 437.2122   11.23601 401.4000  19.40000 486.5000   26.70000 27.97901 0.6766608 30.78390 0.8472321 -2.804892      1.084284  
1 1 1 -4  12 1  o 178.4738 1.451203  0.000000   0.000000 ?         ?        16333.40   265.4000 ?        ?         178.4738 1.451203  0.000000       1.451203  
1 1 1 -4  12 2  o 9.048244 1.112735  0.000000   0.000000 ?         ?        42.60000   10.10000 ?        ?         9.048244 1.112735  0.000000       1.112735  
1 1 1 -4  12 3  o 82.28819 0.7601900 0.000000   0.000000 ?         ?        3470.100   64.10000 ?        ?         82.28819 0.7601900 0.000000       0.7601900 
1 1 1 -4  12 4  o 197.8956 1.581976  0.000000   0.000000 ?         ?        20084.90   320.8000 ?        ?         197.8956 1.581976  0.000000       1.581976  
1 1 1 -4  12 5  o 70.22414 0.7532072 0.000000   0.000000 ?         ?        2527.200   54.20000 ?        ?         70.22414 0.7532072 0.000000       0.7532072 
1 1 1 -4  12 6  o 102.3144 1.001507  0.000000   0.000000 ?         ?        5365.600   105.0000 ?        ?         102.3144 1.001507  0.000000       1.001507  
1 1 1 -4  12 7  o 90.88659 0.9244958 0.000000   0.000000 ?         ?        4233.700   86.10000 ?        ?         90.88659 0.9244958 0.000000       0.9244958 
1 1 1 -4  12 8  o 166.2894 0.9912876 14173.45   168.9129 13848.40  452.0000 14367.40   269.7000 164.1582 2.687060  167.3713 1.572539  -3.213089      3.113386  
1 1 1 -4  12 9  o 59.43031 0.4313235 1809.751   26.26694 1673.200  69.30000 1893.100   42.30000 57.12942 1.183791  60.77988 0.6791757 -3.650459      1.364786  
1 1 1 -4  12 10 o 132.9577 0.9064388 9060.499   123.4952 8469.600  286.6000 9507.900   217.0000 128.4382 2.177627  136.1529 1.555372  -7.714691      2.676050  
1 1 1 -4  12 11 o 69.34933 0.5231569 2464.381   37.17685 2622.700  94.00000 2360.800   61.50000 71.51954 1.282640  67.86827 0.8843210 3.651268       1.557944  
1 1 1 -4  12 12 o 40.09285 0.4228660 823.6455   17.37273 720.3000  39.20000 905.9000   31.20000 37.47144 1.021863  42.04363 0.7241958 -4.572189      1.252463  
1 1 1 -4  12 13 o 102.4022 0.6195959 5373.716   65.01542 5661.800  136.8000 5112.800   123.9000 105.0774 1.270511  99.85694 1.210862  5.220459       1.755103  
1 1 1 -4  12 14 o 83.10719 0.5215433 3539.259   44.41476 3745.300  96.90000 3364.900   82.00000 85.46902 1.106411  81.01810 0.9877191 4.450928       1.483150  
1 1 1 -4  12 15 o 39.94707 0.3613562 817.6594   14.79172 739.6000  28.90000 899.5000   30.30000 37.98764 0.7424329 41.89395 0.7058183 -3.906315      1.024395  
1 1 1 -4  12 16 o 39.43618 0.7349592 0.000000   0.000000 ?         ?        797.1000   29.70000 ?        ?         39.43618 0.7349592 0.000000       0.7349592 
1 1 1 -4  12 17 o 57.91396 0.4173809 1718.662   24.76932 1660.900  48.80000 1778.200   50.30000 56.92142 0.8366536 58.89727 0.8334401 -1.975849      1.180937  
1 1 1 -4  12 18 o 15.38792 0.4411284 121.4378   6.948561 94.10000  14.10000 148.0000   13.70000 13.50758 1.026376  16.97334 0.7898552 -3.465754      1.295113  
1 1 1 -4  12 19 o 35.69307 0.3513292 652.8085   12.84980 642.2000  25.60000 663.5000   25.80000 35.39573 0.7058149 35.97807 0.6998154 -0.5823402     0.9939398 
1 1 1 -4  12 20 o 18.24348 0.4474118 170.5598   8.363989 224.1000  17.90000 123.6000   15.70000 20.88937 0.8379374 15.49195 0.9942464 5.397420       1.300256  
1 1 1 -4  12 21 o 33.84480 0.3653744 586.9829   12.67151 639.0000  27.10000 541.3000   23.80000 35.30304 0.7491328 32.49335 0.7147991 2.809689       1.035441  
1 1 1 -4  12 22 o 54.81363 0.4091084 1539.754   22.97870 1612.400  47.40000 1471.400   44.60000 56.07084 0.8249791 53.56393 0.8125761 2.506901       1.157960  
1 1 1 -4  12 23 o 12.84726 0.5622157 84.77094   7.383446 98.70000  15.50000 72.10000   14.10000 13.82183 1.103538  11.79022 1.183044  2.031608       1.617834  
1 1 1 -4  12 24 o 88.13871 0.5612473 3982.479   50.68966 4143.600  105.0000 3832.100   98.00000 89.82247 1.140791  86.38627 1.107090  3.436203       1.589670  
1 1 1 -4  13 1  o 75.39938 0.6937431 0.000000   0.000000 ?         ?        2913.500   53.60000 ?        ?         75.39938 0.6937431 0.000000       0.6937431 
1 1 1 -4  13 2  o 98.61880 0.8559690 0.000000   0.000000 ?         ?        4984.900   86.50000 ?        ?         98.61880 0.8559690 0.000000       0.8559690 
1 1 1 -4  13 3  o 49.03659 0.5592264 0.000000   0.000000 ?         ?        1232.200   28.10000 ?        ?         49.03659 0.5592264 0.000000       0.5592264 
1 1 1 -4  13 4  o 74.32557 0.6880099 0.000000   0.000000 ?         ?        2831.100   52.40000 ?        ?         74.32557 0.6880099 0.000000       0.6880099 
1 1 1 -4  13 5  o 78.70342 0.7104976 0.000000   0.000000 ?         ?        3174.500   57.30000 ?        ?         78.70342 0.7104976 0.000000       0.7104976 
1 1 1 -4  13 6  o 62.76673 0.6001494 0.000000   0.000000 ?         ?        2018.900   38.60000 ?        ?         62.76673 0.6001494 0.000000       0.6001494 
1 1 1 -4  13 7  o 54.21520 0.6336118 0.000000   0.000000 ?         ?        1506.300   35.20000 ?        ?         54.21520 0.6336118 0.000000       0.6336118 
1 1 1 -4  13 8  o 56.90472 0.6585437 0.000000   0.000000 ?         ?        1659.500   38.40000 ?        ?         56.90472 0.6585437 0.000000       0.6585437 
1 1 1 -4  13 9  o 35.84125 0.5772372 0.000000   0.000000 ?         ?        658.3000   21.20000 ?        ?         35.84125 0.5772372 0.000000       0.5772372 
1 1 1 -4  13 10 o 138.0710 0.8299476 9771.568   117.4225 9737.400  323.9000 9791.000   184.2000 137.6278 2.296711  138.1639 1.301058  -0.5360413     2.639628  
1 1 1 -4  13 11 o 29.76139 0.3565628 453.8499   10.87396 551.1000  34.40000 408.9000   15.90000 32.76907 1.025725  28.24750 0.5493116 4.521576       1.163553  
1 1 1 -4  13 12 o 32.74111 0.4141509 549.3000   13.89474 536.1000  33.00000 558.9000   24.00000 32.32024 0.9976112 33.02198 0.7092671 -0.7017365     1.224046  
1 1 1 -4  13 13 o 27.85587 0.3850923 397.6057   10.99208 347.9000  23.70000 440.6000   20.50000 26.03485 0.8896794 29.31964 0.6823338 -3.284790      1.121209  
1 1 1 -4  13 14 o 57.32162 0.4630255 1683.776   27.19704 1747.400  70.70000 1644.000   44.20000 58.36524 1.182134  56.63171 0.7616654 1.733532       1.406263  
1 1 1 -4  13 15 o 31.84459 0.3448491 519.6224   11.25286 597.3000  24.80000 455.1000   20.60000 34.13580 0.7089952 29.79729 0.6746709 4.338501       0.9787007 
1 1 1 -4  13 16 o 43.38405 0.3510897 964.4597   15.60797 1058.800  33.40000 881.7000   29.30000 45.44718 0.7172015 41.47335 0.6894457 3.973824       0.9948434 
1 1 1 -4  13 17 o 36.37851 0.3585164 678.1477   13.36449 720.4000  27.50000 638.2000   26.00000 37.48612 0.7159188 35.28262 0.7191411 2.203499       1.014743  
1 1 1 -4  13 18 o 36.22979 0.3407319 672.6177   12.64961 735.6000  27.00000 617.1000   23.80000 37.87867 0.6956178 34.69461 0.6694475 3.184055       0.9654243 
1 1 1 -4  13 19 o 21.96953 0.3916280 247.3496   8.816431 234.9000  17.10000 260.6000   18.20000 21.38783 0.7815592 22.52846 0.7896118 -1.140623      1.111000  
1 1 1 -4  13 20 o 36.05780 0.3435668 666.2769   12.69430 689.2000  26.70000 645.5000   24.20000 36.66068 0.7107427 35.48127 0.6656070 1.179413       0.9737493 
1 1 1 -4  13 21 o 25.20037 0.3654520 325.4556   9.437037 364.5000  19.60000 289.2000   18.20000 26.64993 0.7183859 23.73393 0.7492864 2.916006       1.038031  
1 1 1 -4  14 1  o 19.26155 0.6850722 0.000000   0.000000 ?         ?        190.4000   13.50000 ?        ?         19.26155 0.6850722 0.000000       0.6850722 
1 1 1 -4  14 2  o 53.95304 0.6873363 0.000000   0.000000 ?         ?        1492.000   38.00000 ?        ?         53.95304 0.6873363 0.000000       0.6873363 
1 1 1 -4  14 3  o 32.49635 0.5795946 0.000000   0.000000 ?         ?        541.2000   19.30000 ?        ?         32.49635 0.5795946 0.000000       0.5795946 
1 1 1 -4  14 4  o 62.00844 0.5964720 0.000000   0.000000 ?         ?        1970.600   37.90000 ?        ?         62.00844 0.5964720 0.000000       0.5964720 
1 1 1 -4  14 5  o 28.12637 0.4892232 0.000000   0.000000 ?         ?        405.4000   14.10000 ?        ?         28.12637 0.4892232 0.000000       0.4892232 
1 1 1 -4  14 6  o 77.53085 0.7073973 0.000000   0.000000 ?         ?        3081.100   56.20000 ?        ?         77.53085 0.7073973 0.000000       0.7073973 
1 1 1 -4  14 7  o 13.99459 0.7700361 0.000000   0.000000 ?         ?        100.7000   11.00000 ?        ?         13.99459 0.7700361 0.000000       0.7700361 
1 1 1 -4  14 8  o 66.95309 0.6384180 0.000000   0.000000 ?         ?        2297.600   43.80000 ?        ?         66.95309 0.6384180 0.000000       0.6384180 
1 1 1 -4  14 9  o 139.6950 1.332905  0.000000   0.000000 ?         ?        10015.80   190.8000 ?        ?         139.6950 1.332905  0.000000       1.332905  
1 1 1 -4  14 10 o 20.71914 0.6933609 0.000000   0.000000 ?         ?        220.3000   14.70000 ?        ?         20.71914 0.6933609 0.000000       0.6933609 
1 1 1 -4  14 11 o 29.71986 0.5549342 0.000000   0.000000 ?         ?        452.7000   16.90000 ?        ?         29.71986 0.5549342 0.000000       0.5549342 
1 1 1 -4  14 12 o 69.61010 0.4667704 2483.290   33.29461 2290.700  83.90000 2610.000   55.20000 66.80441 1.225628  71.34871 0.7550132 -4.544304      1.439517  
1 1 1 -4  14 13 o 89.75150 0.5778885 4129.007   53.14766 4094.800  145.0000 4148.800   83.90000 89.24909 1.585498  89.93664 0.9103888 -0.6875458     1.828282  
1 1 1 -4  14 14 o 19.21975 0.4345268 189.3142   8.557808 215.3000  22.80000 173.7000   13.70000 20.45249 1.091860  18.39112 0.7284065 2.061369       1.312530  
1 1 1 -4  14 15 o 40.73523 0.3738185 850.3651   15.60376 866.6000  36.60000 838.3000   27.20000 41.10209 0.8689981 40.43583 0.6564537 0.6662521      1.089077  
1 1 1 -4  14 16 o 35.79699 0.3880813 656.7139   14.23533 703.8000  33.60000 622.1000   24.70000 37.03754 0.8853167 34.83081 0.6920460 2.206730       1.123705  
1 1 1 -4  14 17 o 44.17331 0.4085803 1000.060   18.49421 995.0000  44.20000 1003.700   31.80000 44.02832 0.9796970 44.23999 0.7014773 -0.2116737     1.204939  
1 1 1 -4  14 18 o 31.74159 0.3682268 516.3518   11.97684 539.0000  27.70000 499.1000   21.10000 32.40101 0.8349970 31.19730 0.6600352 1.203712       1.064362  
1 1 1 -4  15 1  o 49.00009 0.8324938 0.000000   0.000000 ?         ?        1231.400   41.80000 ?        ?         49.00009 0.8324938 0.000000       0.8324938 
1 1 1 -4  15 2  o 56.41378 0.8061249 0.000000   0.000000 ?         ?        1632.100   46.60000 ?        ?         56.41378 0.8061249 0.000000       0.8061249 
1 1 1 -4  15 3  o 28.00698 0.7498333 0.000000   0.000000 ?         ?        402.5000   21.50000 ?        ?         28.00698 0.7498333 0.000000       0.7498333 
1 1 1 -4  15 4  o 56.63693 0.8150102 0.000000   0.000000 ?         ?        1645.100   47.30000 ?        ?         56.63693 0.8150102 0.000000       0.8150102 
1 1 1 -4  15 5  o 50.75599 0.7767758 0.000000   0.000000 ?         ?        1321.100   40.40000 ?        ?         50.75599 0.7767758 0.000000       0.7767758 
1 1 1 -4  15 6  o 69.85016 0.9821766 0.000000   0.000000 ?         ?        2503.500   70.30000 ?        ?         69.85016 0.9821766 0.000000       0.9821766 
1 1 1 -4  15 7  o 58.57585 0.8580059 0.000000   0.000000 ?         ?        1760.000   51.50000 ?        ?         58.57585 0.8580059 0.000000       0.8580059 
1 1 1 -4  15 8  o 64.25524 0.8854451 0.000000   0.000000 ?         ?        2118.100   58.30000 ?        ?         64.25524 0.8854451 0.000000       0.8854451 
1 1 1 -4  15 9  o 4.435364 1.896510  0.000000   0.000000 ?         ?        -0.6000000 15.30000 ?        ?         4.435364 1.896510  0.000000       1.896510  
1 1 1 -4  15 10 o 47.78891 0.7494463 0.000000   0.000000 ?         ?        1171.300   36.70000 ?        ?         47.78891 0.7494463 0.000000       0.7494463 
1 1 1 -4  15 11 o 33.80069 0.6958140 0.000000   0.000000 ?         ?        585.9000   24.10000 ?        ?         33.80069 0.6958140 0.000000       0.6958140 
1 1 1 -4  15 12 o 3.762754 1.659787  0.000000   0.000000 ?         ?        -3.800000  12.50000 ?        ?         3.762754 1.659787  0.000000       1.659787  
1 1 1 -4  15 13 o 79.51472 1.008848  0.000000   0.000000 ?         ?        3246.400   82.20000 ?        ?         79.51472 1.008848  0.000000       1.008848  
1 1 1 -4  15 14 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -4  16 1  o 83.62268 1.045648  0.000000   0.000000 ?         ?        3591.800   89.60000 ?        ?         83.62268 1.045648  0.000000       1.045648  
1 1 1 -4  16 2  o 34.21224 0.7131159 0.000000   0.000000 ?         ?        600.4000   25.00000 ?        ?         34.21224 0.7131159 0.000000       0.7131159 
1 1 1 -4  16 3  f 43.67422 0.7351439 0.000000   0.000000 ?         ?        978.5000   32.90000 ?        ?         43.67422 0.7351439 0.000000       0.7351439 
1 1 1 -4  16 4  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -4  16 5  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -3  0  1  o 245.4090 3.852278  30896.20   968.2000 30896.20  968.2000 30896.20   968.2000 245.4090 3.852278  245.4090 3.852278  0.000000       0.000000  
1 1 1 -3  0  2  o 236.4691 3.759300  28686.00   910.4000 28686.00  910.4000 28686.00   910.4000 236.4691 3.759300  236.4691 3.759300  0.000000       0.000000  
1 1 1 -3  0  3  o 145.5355 2.448407  10863.50   364.9000 10863.50  364.9000 10863.50   364.9000 145.5355 2.448407  145.5355 2.448407  0.000000       0.000000  
1 1 1 -3  0  4  o 328.8389 5.243946  55501.20   1766.000 55501.20  1766.000 55501.20   1766.000 328.8389 5.243946  328.8389 5.243946  0.000000       0.000000  
1 1 1 -3  0  5  o 130.4625 2.265811  8730.100   302.7000 8730.100  302.7000 8730.100   302.7000 130.4625 2.265811  130.4625 2.265811  0.000000       0.000000  
1 1 1 -3  0  6  o 192.9489 2.245831  19086.30   443.9000 19086.30  443.9000 19086.30   443.9000 192.9489 2.245831  192.9489 2.245831  0.000000       0.000000  
1 1 1 -3  0  7  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -3  0  8  o 36.17554 0.7128054 671.3000   26.40000 671.3000  26.40000 671.3000   26.40000 36.17554 0.7128054 36.17554 0.7128054 0.000000       0.000000  
1 1 1 -3  0  9  f 253.0747 2.919974  32847.20   757.0000 32847.20  757.0000 32847.20   757.0000 253.0747 2.919974  253.0747 2.919974  0.000000       0.000000  
1 1 1 -3  0  10 o 20.47141 0.5586911 215.2000   11.70000 215.2000  11.70000 215.2000   11.70000 20.47141 0.5586911 20.47141 0.5586911 0.000000       0.000000  
1 1 1 -3  0  11 o 118.8434 1.523812  7241.000   185.5000 7241.000  185.5000 7241.000   185.5000 118.8434 1.523812  118.8434 1.523812  0.000000       0.000000  
1 1 1 -3  0  12 o 89.96786 1.245787  4149.800   114.8000 4149.800  114.8000 4149.800   114.8000 89.96786 1.245787  89.96786 1.245787  0.000000       0.000000  
1 1 1 -3  0  13 o 445.8435 5.000787  101981.0   2284.000 101981.0  2284.000 101981.0   2284.000 445.8435 5.000787  445.8435 5.000787  0.000000       0.000000  
1 1 1 -3  0  14 o 14.42197 0.8596652 107.7000   12.60000 107.7000  12.60000 107.7000   12.60000 14.42197 0.8596652 14.42197 0.8596652 0.000000       0.000000  
1 1 1 -3  0  15 o 96.75388 1.266323  4799.000   125.5000 4799.000  125.5000 4799.000   125.5000 96.75388 1.266323  96.75388 1.266323  0.000000       0.000000  
1 1 1 -3  0  16 o 333.6315 3.809252  57080.70   1301.900 57080.70  1301.900 57080.70   1301.900 333.6315 3.809252  333.6315 3.809252  0.000000       0.000000  
1 1 1 -3  0  17 o 90.19967 1.705405  4173.400   157.5000 4173.400  157.5000 4173.400   157.5000 90.19967 1.705405  90.19967 1.705405  0.000000       0.000000  
1 1 1 -3  0  18 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -3  0  19 o 335.4005 5.459401  57761.70   1875.200 57761.70  1875.200 57761.70   1875.200 335.4005 5.459401  335.4005 5.459401  0.000000       0.000000  
1 1 1 -3  0  20 o 244.0628 4.050223  30573.40   1012.300 30573.40  1012.300 30573.40   1012.300 244.0628 4.050223  244.0628 4.050223  0.000000       0.000000  
1 1 1 -3  0  21 o 35.83808 1.269842  660.6000   46.50000 660.6000  46.50000 660.6000   46.50000 35.83808 1.269842  35.83808 1.269842  0.000000       0.000000  
1 1 1 -3  0  22 o 173.3925 3.027815  15430.70   537.6000 15430.70  537.6000 15430.70   537.6000 173.3925 3.027815  173.3925 3.027815  0.000000       0.000000  
1 1 1 -3  0  23 o 105.9563 2.064881  5761.300   224.0000 5761.300  224.0000 5761.300   224.0000 105.9563 2.064881  105.9563 2.064881  0.000000       0.000000  
1 1 1 -3  0  24 o 32.03236 1.222684  528.1000   40.00000 528.1000  40.00000 528.1000   40.00000 32.03236 1.222684  32.03236 1.222684  0.000000       0.000000  
1 1 1 -3  0  25 o 63.07280 1.387850  2041.700   89.60000 2041.700  89.60000 2041.700   89.60000 63.07280 1.387850  63.07280 1.387850  0.000000       0.000000  
1 1 1 -3  0  26 o 28.02269 0.9918530 403.9000   28.40000 403.9000  28.40000 403.9000   28.40000 28.02269 0.9918530 28.02269 0.9918530 0.000000       0.000000  
1 1 1 -3  0  27 o 83.32729 1.189268  3560.400   101.5000 3560.400  101.5000 3560.400   101.5000 83.32729 1.189268  83.32729 1.189268  0.000000       0.000000  
1 1 1 -3  0  28 o 30.08617 0.8742143 465.0000   26.90000 465.0000  26.90000 465.0000   26.90000 30.08617 0.8742143 30.08617 0.8742143 0.000000       0.000000  
1 1 1 -3  0  29 o 14.72695 1.317592  113.8000   19.50000 113.8000  19.50000 113.8000   19.50000 14.72695 1.317592  14.72695 1.317592  0.000000       0.000000  
1 1 1 -3  0  30 o 38.29473 0.8546653 752.6000   33.50000 752.6000  33.50000 752.6000   33.50000 38.29473 0.8546653 38.29473 0.8546653 0.000000       0.000000  
1 1 1 -3  0  31 o 165.4873 2.084183  14054.30   353.3000 14054.30  353.3000 14054.30   353.3000 165.4873 2.084183  165.4873 2.084183  0.000000       0.000000  
1 1 1 -3  0  32 o 205.7827 2.494348  21750.60   525.8000 21750.60  525.8000 21750.60   525.8000 205.7827 2.494348  205.7827 2.494348  0.000000       0.000000  
1 1 1 -3  0  33 o 23.94573 0.9241788 295.2000   22.60000 295.2000  22.60000 295.2000   22.60000 23.94573 0.9241788 23.94573 0.9241788 0.000000       0.000000  
1 1 1 -3  0  34 o 93.41698 1.307449  4478.000   125.1000 4478.000  125.1000 4478.000   125.1000 93.41698 1.307449  93.41698 1.307449  0.000000       0.000000  
1 1 1 -3  0  35 o 131.4928 2.346923  8900.000   316.0000 8900.000  316.0000 8900.000   316.0000 131.4928 2.346923  131.4928 2.346923  0.000000       0.000000  
1 1 1 -3  1  1  o 9.976872 0.4435352 51.09999   4.523077 52.50000  9.800000 49.90000   8.400000 10.07665 0.9607121 9.832623 0.8417943 0.2440319      1.277335  
1 1 1 -3  1  2  o 315.1965 2.044098  50917.15   660.2090 50574.30  1589.600 51160.70   1129.200 313.9012 4.941930  315.8571 3.488846  -1.955963      6.049357  
1 1 1 -3  1  3  o 364.0685 2.824711  67950.08   1053.793 69077.90  2133.600 66849.40   2082.200 366.7501 5.677334  360.7926 5.632050  5.957489       7.997006  
1 1 1 -3  1  4  o 354.2697 2.281895  64329.41   828.3769 62947.20  1963.500 65338.10   1432.900 350.1113 5.473011  356.8977 3.918084  -6.786407      6.730917  
1 1 1 -3  1  5  o 265.5349 1.741881  36134.26   473.9567 36358.50  1151.500 35977.40   805.5000 266.1973 4.221453  264.8957 2.967510  1.301605       5.160114  
1 1 1 -3  1  6  o 448.5924 6.989731  0.000000   0.000000 ?         ?        103554.0   3213.000 ?        ?         448.5924 6.989731  0.000000       6.989731  
1 1 1 -3  1  7  o 96.40523 0.7342717 4762.046   72.53636 4873.800  176.8000 4684.300   123.0000 97.51684 1.769311  95.60990 1.255463  1.906937       2.169482  
1 1 1 -3  1  8  o 269.8080 1.785598  37312.11   493.6702 37475.80  1203.100 37198.20   837.2000 270.1360 4.346311  269.2953 3.033906  0.8407593      5.300472  
1 1 1 -3  1  9  o 74.66507 0.5947857 2856.442   45.50681 3023.300  118.7000 2752.700   73.80000 76.80426 1.508228  73.29343 0.9826366 3.510826       1.800091  
1 1 1 -3  1  10 o 34.16649 0.2932729 598.1010   10.26764 614.5000  20.00000 580.8000   21.10000 34.63114 0.5635921 33.66800 0.6115990 0.9631386      0.8316786 
1 1 1 -3  1  11 o 177.1464 1.110025  16080.52   201.4946 16173.80  408.0000 15989.50   398.1000 177.6173 2.241695  176.6045 2.199845  1.012833       3.140782  
1 1 1 -3  1  12 o 165.7646 1.041074  14079.83   176.8364 13979.00  356.8000 14178.90   350.6000 165.1432 2.108462  166.3215 2.057146  -1.178314      2.945753  
1 1 1 -3  1  13 o 272.3911 1.847696  38024.65   515.7292 37734.30  1236.200 38232.50   884.9000 271.1831 4.448646  273.0673 3.162468  -1.884216      5.458173  
1 1 1 -3  1  14 o 242.0791 1.642433  30030.23   407.4208 30287.90  993.8000 29851.20   690.5000 243.0116 3.990926  241.3167 2.792403  1.694931       4.870831  
1 1 1 -3  1  15 o 269.4937 1.838636  37218.71   507.7417 36667.90  1219.000 37611.90   870.2000 267.3490 4.449659  270.8565 3.135317  -3.507507      5.443315  
1 1 1 -3  1  16 o 268.5363 1.832707  36955.25   504.3064 37668.00  1263.500 36481.80   839.3000 270.9496 4.550806  266.7542 3.070490  4.195496       5.489785  
1 1 1 -3  1  17 o 110.0450 0.8483094 6204.865   95.65836 5810.800  221.8000 6503.700   168.2000 106.4796 2.032809  112.6579 1.457022  -6.178230      2.501045  
1 1 1 -3  1  18 o 184.8130 1.297672  17502.24   245.7512 18208.70  613.0000 17029.50   410.2000 188.4406 3.174590  182.2763 2.196176  6.164291       3.860209  
1 1 1 -3  1  19 o 178.7913 1.287235  16380.60   235.8320 16346.60  561.9000 16405.20   406.4000 178.5394 3.071331  178.8977 2.216923  -0.3582764     3.787852  
1 1 1 -3  1  20 o 8.705441 1.072522  39.42239   9.365395 49.70000  23.90000 32.80000   15.40000 9.657647 2.420176  7.844309 1.929434  1.813338       3.095152  
1 1 1 -3  1  21 o 147.0100 1.300589  11075.70   195.9229 10943.80  401.0000 11201.70   383.1000 146.0725 2.679029  147.7922 2.529660  -1.719666      3.684614  
1 1 1 -3  1  22 o 135.7388 1.215681  9442.691   169.0915 10086.20  362.4000 8879.800   317.0000 140.2240 2.522130  131.5812 2.351078  8.642792       3.448001  
1 1 1 -3  1  23 o 61.96401 0.6893079 1967.406   43.76744 2101.900  88.70000 1836.400   86.40000 64.03718 1.351740  59.85523 1.408683  4.181946       1.952329  
1 1 1 -3  1  24 o 172.2578 1.278182  15208.99   225.6160 15359.60  386.2000 14997.40   542.6000 173.0424 2.178018  170.8879 3.098632  2.154434       3.787517  
1 1 1 -3  1  25 o 122.1325 0.9478297 7644.242   118.6206 7668.200  203.6000 7610.800   284.2000 122.2956 1.624683  121.7960 2.277155  0.4995880      2.797325  
1 1 1 -3  1  26 o 36.57937 0.4647598 685.5940   17.42060 815.8000  33.00000 540.0000   36.90000 39.89956 0.8071374 32.44017 1.111699  7.459393       1.373807  
1 1 1 -3  1  27 o 129.1579 0.9816049 8549.382   129.9140 8537.700  219.6000 8566.300   318.1000 129.0351 1.660833  129.1931 2.402845  -0.1580048     2.920964  
1 1 1 -3  1  28 o 99.05199 0.7816314 5027.833   79.33476 4997.700  131.8000 5073.400   199.3000 98.73730 1.302674  99.44791 1.955750  -0.7106171     2.349876  
1 1 1 -3  1  29 o 48.05458 0.4469183 1183.234   22.00702 1170.200  41.70000 1197.800   46.60000 47.78444 0.8516306 48.34321 0.9407019 -0.5587769     1.268934  
1 1 1 -3  1  30 o 33.15979 0.4249301 563.4133   14.43869 572.2000  27.50000 553.7000   30.40000 33.41389 0.8031697 32.85561 0.9038125 0.5582771      1.209115  
1 1 1 -3  1  31 o 175.0577 1.085474  15711.24   194.7148 15738.30  382.7000 15683.20   396.4000 175.0473 2.133559  174.7240 2.214026  0.3233337      3.074733  
1 1 1 -3  1  32 o 102.7278 0.6760476 5408.523   71.16457 5072.400  134.6000 5785.600   151.0000 99.44131 1.320930  106.1959 1.387621  -6.754616      1.915815  
1 1 1 -3  1  33 o 98.91837 0.6653453 5015.242   67.44074 5203.200  139.0000 4838.100   131.0000 100.6940 1.347141  97.10044 1.316594  3.593529       1.883668  
1 1 1 -3  1  34 o 14.57442 0.6411675 109.0913   9.552058 71.90000  15.00000 174.3000   26.30000 11.76841 1.263640  18.37043 1.407862  -6.602019      1.891788  
1 1 1 -3  1  35 o 20.95053 0.5544463 225.1353   11.89244 242.0000  24.40000 209.1000   23.20000 21.68747 1.101558  20.15311 1.127935  1.534359       1.576600  
1 1 1 -3  2  1  o 349.3634 2.239160  62561.02   801.6060 65002.70  2026.500 60963.10   1326.200 355.7341 5.559333  344.7431 3.754179  10.99097       6.708208  
1 1 1 -3  2  2  o 44.21721 0.3690321 1001.742   16.72068 925.7000  43.40000 1049.400   27.20000 42.50432 0.9964564 45.25642 0.5865302 -2.752098      1.156263  
1 1 1 -3  2  3  o 152.7898 1.032776  11961.79   161.6958 11297.90  374.6000 12466.00   284.5000 148.4578 2.462444  155.9628 1.780176  -7.504990      3.038528  
1 1 1 -3  2  4  o 264.9000 1.717383  35962.20   466.1733 35821.30  1115.800 36063.30   800.7000 264.2155 4.121257  265.2044 2.946393  -0.9889221     5.066162  
1 1 1 -3  2  5  o 394.3557 2.542513  79728.91   1027.424 78982.80  2462.100 80263.20   1763.200 391.9180 6.130730  395.4370 4.351369  -3.519012      7.517996  
1 1 1 -3  2  6  o 69.20637 0.5166599 2453.992   36.63947 2292.900  81.90000 2584.400   66.30000 66.89207 1.194843  71.01925 0.9110434 -4.127182      1.502548  
1 1 1 -3  2  7  o 247.0089 1.647727  31271.16   417.0577 29609.60  960.2000 32547.00   737.3000 240.1658 3.901684  251.9101 2.856276  -11.74431      4.835437  
1 1 1 -3  2  8  o 163.0668 1.143899  13626.41   191.1400 14075.00  478.0000 13327.50   318.5000 165.6502 2.816032  161.2404 1.927690  4.409775       3.412627  
1 1 1 -3  2  9  o 59.40021 0.4754506 1807.835   28.93955 1505.000  56.80000 2122.400   59.00000 54.19392 1.022820  64.35818 0.8946432 -10.16427      1.358878  
1 1 1 -3  2  10 o 183.4493 2.155003  0.000000   0.000000 ?         ?        17253.10   405.1000 ?        ?         183.4493 2.155003  0.000000       2.155003  
1 1 1 -3  2  11 o 194.2336 2.342840  0.000000   0.000000 ?         ?        19340.60   466.3000 ?        ?         194.2336 2.342840  0.000000       2.342840  
1 1 1 -3  2  12 o 68.46918 0.9535262 0.000000   0.000000 ?         ?        2402.100   66.90000 ?        ?         68.46918 0.9535262 0.000000       0.9535262 
1 1 1 -3  2  13 o 69.78239 0.9691455 0.000000   0.000000 ?         ?        2495.100   69.30000 ?        ?         69.78239 0.9691455 0.000000       0.9691455 
1 1 1 -3  2  14 o 181.2085 1.254905  16825.57   233.0172 16541.20  545.1000 17037.90   407.0000 179.6290 2.961429  182.3297 2.178405  -2.700668      3.676345  
1 1 1 -3  2  15 o 367.0793 2.426699  69065.48   912.7971 68546.90  2186.600 69437.10   1566.900 365.3505 5.840652  367.9241 4.156087  -2.573639      7.168422  
1 1 1 -3  2  16 o 132.6989 0.9943946 9022.644   135.2149 9125.800  335.5000 8953.000   226.5000 133.4312 2.453786  132.1772 1.672297  1.254013       2.969452  
1 1 1 -3  2  17 o 424.4861 2.799773  92376.17   1217.824 89918.90  2875.700 94181.20   2112.400 418.1981 6.710629  428.3582 4.812500  -10.16013      8.257887  
1 1 1 -3  2  18 o 106.3505 0.8227532 5795.264   89.66180 5667.100  215.2000 5886.800   153.7000 105.1528 1.997208  107.1811 1.399449  -2.028374      2.438708  
1 1 1 -3  2  19 o 312.6741 2.106953  50113.32   675.0642 48917.30  1587.700 50998.00   1174.400 308.5865 5.021034  315.2778 3.635166  -6.691284      6.198808  
1 1 1 -3  2  20 o 177.4042 1.276062  16128.29   231.9711 15819.30  546.6000 16356.10   403.0000 175.6098 3.037544  178.6153 2.201852  -3.005524      3.751643  
1 1 1 -3  2  21 o 125.9314 0.8120268 8126.106   104.7859 8123.900  205.6000 8128.400   213.7000 125.8952 1.593733  125.9280 1.656089  -0.3280640E-01 2.298394  
1 1 1 -3  2  22 o 104.8828 0.7084033 5636.648   76.13483 5465.500  145.5000 5824.500   159.7000 103.2639 1.375043  106.5987 1.462024  -3.334854      2.007051  
1 1 1 -3  2  23 o 35.76794 0.3983460 655.4999   14.60000 704.1000  29.20000 606.9000   29.20000 37.06830 0.7687442 34.41432 0.8280285 2.653976       1.129867  
1 1 1 -3  2  24 o 51.40780 0.4415238 1354.091   23.25849 1302.400  42.90000 1415.300   50.80000 50.41389 0.8304409 52.55225 0.9433526 -2.138359      1.256800  
1 1 1 -3  2  25 f 128.7827 0.9744925 8499.537   128.5981 8847.200  233.0000 8071.300   287.0000 131.3538 1.731071  125.4280 2.233001  5.925774       2.825403  
1 1 1 -3  2  26 o 137.7904 1.001204  9730.402   141.3644 9674.800  239.5000 9810.500   345.0000 137.3590 1.701571  138.2590 2.435159  -0.9000244     2.970748  
1 1 1 -3  2  27 o 68.70934 0.6041112 2419.071   42.53349 2727.200  81.30000 2081.000   89.20000 72.94498 1.087669  63.71291 1.366278  9.232075       1.746350  
1 1 1 -3  2  28 o 58.65294 0.5411523 1762.750   32.52428 1749.300  54.90000 1782.300   79.80000 58.42337 0.9170382 58.96291 1.320765  -0.5395432     1.607912  
1 1 1 -3  2  29 o 63.53713 0.5946440 2068.638   38.71533 1980.200  62.40000 2213.200   102.0000 62.15667 0.9797121 65.69444 1.515211  -3.537769      1.804356  
1 1 1 -3  2  30 o 8.555933 1.205258  38.27042   10.27441 42.90000  17.30000 31.50000   25.30000 8.970687 1.938664  8.026217 2.649457  0.9444704      3.282992  
1 1 1 -3  2  31 o 116.5229 0.9081425 6959.795   108.4336 7369.200  192.8000 6433.600   247.8000 119.8448 1.569963  111.9083 2.160929  7.936523       2.671029  
1 1 1 -3  2  32 o 37.36765 0.4201404 715.5084   16.08750 685.9000  29.70000 750.5000   35.10000 36.58041 0.7923362 38.26190 0.8952456 -1.681484      1.195517  
1 1 1 -3  2  33 o 55.09282 0.4550166 1555.401   25.68743 1722.100  55.80000 1413.200   47.60000 57.95161 0.9396590 52.49990 0.8848101 5.451710       1.290677  
1 1 1 -3  2  34 o 46.77131 0.4719505 1121.094   22.61905 1100.300  37.50000 1152.700   57.00000 46.32452 0.7899906 47.39363 1.173698  -1.069115      1.414798  
1 1 1 -3  2  35 o 44.93995 0.6112450 1035.288   28.14792 1046.600  59.40000 1025.100   53.50000 45.12613 1.285888  44.67192 1.169754  0.4542160      1.738342  
1 1 1 -3  3  1  o 144.9364 0.8348818 10763.60   123.9941 11163.80  257.1000 10390.80   239.5000 147.5880 1.700015  142.3883 1.641470  5.199707       2.363149  
1 1 1 -3  3  2  o 282.4028 1.555283  40871.93   450.0667 40863.90  904.0000 40879.90   896.3000 282.2579 3.125532  282.3158 3.098274  -0.5795288E-01 4.400938  
1 1 1 -3  3  3  o 155.7409 0.8878929 12428.36   141.6973 13037.00  298.8000 11879.40   269.5000 159.4851 1.828362  152.2431 1.727519  7.242004       2.515399  
1 1 1 -3  3  4  o 204.0330 1.372328  21333.92   286.9173 21434.70  708.9000 21265.40   482.0000 204.3927 3.384707  203.6614 2.309617  0.7313690      4.097630  
1 1 1 -3  3  5  o 309.7571 2.031211  49187.90   644.7253 48376.40  1548.800 49766.60   1104.500 306.7649 4.927099  311.4052 3.461319  -4.640228      6.021381  
1 1 1 -3  3  6  o 169.3595 1.933235  0.000000   0.000000 ?         ?        14703.60   335.5000 ?        ?         169.3595 1.933235  0.000000       1.933235  
1 1 1 -3  3  7  o 58.50581 0.7656237 0.000000   0.000000 ?         ?        1753.900   45.90000 ?        ?         58.50581 0.7656237 0.000000       0.7656237 
1 1 1 -3  3  8  o 77.50027 1.023738  0.000000   0.000000 ?         ?        3077.800   81.30000 ?        ?         77.50027 1.023738  0.000000       1.023738  
1 1 1 -3  3  9  o 115.2278 1.438923  0.000000   0.000000 ?         ?        6804.500   169.9000 ?        ?         115.2278 1.438923  0.000000       1.438923  
1 1 1 -3  3  10 o 260.9872 3.050465  0.000000   0.000000 ?         ?        34931.50   815.8000 ?        ?         260.9872 3.050465  0.000000       3.050465  
1 1 1 -3  3  11 o 160.6842 1.996918  0.000000   0.000000 ?         ?        13232.90   328.8000 ?        ?         160.6842 1.996918  0.000000       1.996918  
1 1 1 -3  3  12 o 402.5187 4.488166  0.000000   0.000000 ?         ?        83127.20   1851.200 ?        ?         402.5187 4.488166  0.000000       4.488166  
1 1 1 -3  3  13 o 206.8903 2.408476  0.000000   0.000000 ?         ?        21938.80   510.6000 ?        ?         206.8903 2.408476  0.000000       2.408476  
1 1 1 -3  3  14 o 208.2696 2.476399  0.000000   0.000000 ?         ?        22233.10   528.5000 ?        ?         208.2696 2.476399  0.000000       2.476399  
1 1 1 -3  3  15 o 235.5785 2.782540  0.000000   0.000000 ?         ?        28449.90   671.7000 ?        ?         235.5785 2.782540  0.000000       2.782540  
1 1 1 -3  3  16 o 135.0770 1.720925  0.000000   0.000000 ?         ?        9350.400   238.2000 ?        ?         135.0770 1.720925  0.000000       1.720925  
1 1 1 -3  3  17 o 92.48757 0.6543554 4382.792   62.01482 4532.800  128.8000 4243.500   119.6000 94.05158 1.336446  91.00129 1.282582  3.050293       1.852324  
1 1 1 -3  3  18 o 101.8633 0.6672750 5316.460   69.64996 5771.300  149.9000 4921.700   130.1000 106.1237 1.378450  98.00264 1.295511  8.121048       1.891685  
1 1 1 -3  3  19 o 78.76202 0.5589970 3178.473   45.11539 3250.000  92.80000 3110.800   87.80000 79.63857 1.137172  77.91480 1.099705  1.723763       1.581933  
1 1 1 -3  3  20 o 123.0910 0.8047894 7763.595   101.5096 8190.100  210.1000 7364.900   196.4000 126.4083 1.622005  119.8717 1.598918  6.536568       2.277595  
1 1 1 -3  3  21 o 78.52844 0.5780168 3159.723   46.51208 3136.900  94.60000 3181.800   91.50000 78.23670 1.180001  78.79542 1.133240  -0.5587158     1.636042  
1 1 1 -3  3  22 o 20.30284 0.4409081 211.2033   9.172826 239.1000  17.40000 180.1000   19.40000 21.58672 0.7879407 18.71913 1.015187  2.867588       1.285089  
1 1 1 -3  3  23 o 95.53512 0.6505355 4676.706   63.68430 4838.100  129.4000 4520.300   125.4000 97.15440 1.299791  93.90920 1.303140  3.245193       1.840551  
1 1 1 -3  3  24 o 224.2843 1.315081  25784.84   302.2385 26390.70  617.6000 25204.20   591.9000 226.7444 2.658106  221.5966 2.606675  5.147812       3.722939  
1 1 1 -3  3  25 f 104.9752 0.7144723 5646.818   76.85472 5485.400  149.2000 5818.300   158.5000 103.4427 1.407571  106.5335 1.451926  -3.090782      2.022213  
1 1 1 -3  3  26 o 109.8273 0.7441463 6181.024   83.74657 5992.900  158.0000 6393.200   178.2000 108.1193 1.426119  111.6654 1.557366  -3.546104      2.111683  
1 1 1 -3  3  27 o 84.47405 0.5940735 3656.488   51.42353 3691.500  102.3000 3621.100   103.4000 84.86349 1.176404  84.04962 1.200567  0.8138733      1.680859  
1 1 1 -3  3  28 o 129.1918 0.9569786 8554.243   126.6880 8791.400  218.5000 8227.000   301.5000 130.9293 1.628606  126.5941 2.324211  4.335251       2.838013  
1 1 1 -3  3  29 o 67.63184 0.5900624 2343.885   40.89286 2401.200  68.90000 2260.200   100.6000 68.44460 0.9823849 66.38709 1.478822  2.057510       1.775386  
1 1 1 -3  3  30 o 102.4053 0.7754022 5374.597   81.36691 5035.100  130.0000 5942.600   217.5000 99.09210 1.280283  107.5907 1.972813  -8.498642      2.351833  
1 1 1 -3  3  31 o 34.51753 0.4670428 610.5298   16.51942 633.8000  27.40000 575.2000   41.60000 35.16524 0.7603938 33.46881 1.214999  1.696430       1.433325  
1 1 1 -3  3  32 f 33.51092 0.4552515 575.4562   15.63278 553.4000  25.50000 610.4000   40.40000 32.85769 0.7573642 34.47941 1.145054  -1.621719      1.372862  
1 1 1 -3  3  33 o 50.22075 0.5024868 1292.551   25.85867 1269.600  42.60000 1328.000   65.80000 49.76150 0.8354447 50.86972 1.262316  -1.108215      1.513741  
1 1 1 -3  3  34 o 24.67094 0.4803209 311.9376   12.14271 369.3000  21.50000 237.5000   27.90000 26.82571 0.7829856 21.47044 1.273859  5.355270       1.495254  
1 1 1 -3  3  35 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -3  4  1  o 54.83157 0.3608271 1540.417   20.27347 1670.200  44.70000 1432.700   37.10000 57.09271 0.7640618 52.87835 0.6846957 4.214359       1.025962  
1 1 1 -3  4  2  o 245.4117 1.595467  30869.39   401.2191 29353.20  913.1000 32057.80   715.7000 239.1019 3.726808  249.9906 2.793888  -10.88876      4.657779  
1 1 1 -3  4  3  o 165.3488 1.112169  14010.45   188.4387 14118.60  464.0000 13936.50   317.3000 165.9077 2.729311  164.8833 1.877998  1.024414       3.313007  
1 1 1 -3  4  4  o 108.4100 0.7695769 6022.065   85.49087 5676.700  197.4000 6285.900   150.8000 105.2338 1.830600  110.7496 1.328803  -5.515846      2.262038  
1 1 1 -3  4  5  o 85.33610 0.6383693 3731.296   55.82171 3531.100  127.0000 3888.300   99.60000 83.00425 1.493155  87.10766 1.115847  -4.103409      1.864035  
1 1 1 -3  4  6  o 56.05622 0.4677460 1610.011   26.86781 1521.000  65.20000 1672.400   45.70000 54.48045 1.167908  57.13051 0.7806381 -2.650066      1.404779  
1 1 1 -3  4  7  o 293.2326 1.931796  44074.52   580.4594 43683.90  1390.900 44354.30   996.2000 291.6162 4.654638  294.0346 3.306357  -2.418427      5.709435  
1 1 1 -3  4  8  o 83.24651 1.064441  0.000000   0.000000 ?         ?        3551.000   90.80000 ?        ?         83.24651 1.064441  0.000000       1.064441  
1 1 1 -3  4  9  o 77.14510 1.085377  0.000000   0.000000 ?         ?        3049.500   85.80000 ?        ?         77.14510 1.085377  0.000000       1.085377  
1 1 1 -3  4  10 o 127.0053 1.571351  0.000000   0.000000 ?         ?        8265.900   204.5000 ?        ?         127.0053 1.571351  0.000000       1.571351  
1 1 1 -3  4  11 o 165.2897 1.907033  0.000000   0.000000 ?         ?        14001.20   323.0000 ?        ?         165.2897 1.907033  0.000000       1.907033  
1 1 1 -3  4  12 o 263.6486 3.002276  0.000000   0.000000 ?         ?        35635.20   811.1000 ?        ?         263.6486 3.002276  0.000000       3.002276  
1 1 1 -3  4  13 o 291.5463 3.320183  0.000000   0.000000 ?         ?        43583.00   991.9000 ?        ?         291.5463 3.320183  0.000000       3.320183  
1 1 1 -3  4  14 o 87.21952 0.6599751 3897.711   58.98473 3938.800  143.4000 3869.000   100.2000 87.67125 1.596223  86.89504 1.125316  0.7762070      1.953014  
1 1 1 -3  4  15 o 223.2313 1.510207  25536.20   345.4538 26285.50  856.0000 25029.20   579.2000 226.3819 3.690062  220.9671 2.558012  5.414795       4.489986  
1 1 1 -3  4  16 o 349.6645 2.320220  62672.03   831.3409 63507.50  2031.300 62093.20   1407.300 351.5861 5.638246  347.8926 3.947691  3.693542       6.882884  
1 1 1 -3  4  17 o 101.4519 0.7833547 5273.693   81.43610 5665.800  210.3000 5025.900   132.9000 105.1393 1.951982  99.03442 1.309605  6.104904       2.350595  
1 1 1 -3  4  18 o 117.0064 0.8725871 7014.990   104.6205 7292.800  254.6000 6821.200   177.6000 119.2750 2.083102  115.3685 1.502302  3.906548       2.568311  
1 1 1 -3  4  19 o 205.7408 1.426855  21693.95   300.8144 21075.30  707.9000 22151.10   523.1000 202.6438 3.409104  207.8364 2.456205  -5.192627      4.201777  
1 1 1 -3  4  20 o 109.5940 0.8397515 6154.558   94.30527 6344.000  232.2000 6025.000   158.8000 111.2336 2.037174  108.4213 1.429346  2.812218       2.488595  
1 1 1 -3  4  21 o 83.38576 0.5826457 3562.742   49.78457 3351.800  95.00000 3795.000   104.6000 80.87096 1.146391  86.05083 1.186256  -5.179871      1.649671  
1 1 1 -3  4  22 o 73.78104 0.5348091 2789.258   40.43356 2796.800  84.90000 2782.400   77.20000 73.87183 1.121580  73.68336 1.022467  0.1884766      1.517690  
1 1 1 -3  4  23 o 137.3549 0.8596828 9668.082   120.9987 9673.900  242.8000 9662.300   241.2000 137.3561 1.725053  137.2743 1.714706  0.8174133E-01  2.432288  
1 1 1 -3  4  24 o 43.82785 0.4063601 984.2123   18.24986 952.3000  36.40000 1016.300   36.60000 43.10836 0.8240271 44.53360 0.8020379 -1.425232      1.149907  
1 1 1 -3  4  25 f 123.3033 0.8016734 7791.118   101.2909 7424.700  193.3000 8194.500   212.8000 120.3368 1.567599  126.4168 1.642739  -6.080009      2.270674  
1 1 1 -3  4  26 o 109.3384 0.7114617 6126.091   79.71182 6148.400  157.4000 6103.200   161.5000 109.5121 1.402633  109.1068 1.444516  0.4053345      2.013457  
1 1 1 -3  4  27 o 95.07345 0.6343511 4631.772   61.79984 4676.600  123.4000 4586.800   123.8000 95.51286 1.260825  94.59071 1.277244  0.9221420      1.794723  
1 1 1 -3  4  28 o 65.21168 0.4792043 2179.011   32.02170 2182.900  64.70000 2175.200   63.40000 65.26053 0.9675097 65.14577 0.9497399 0.1147614      1.355758  
1 1 1 -3  4  29 o 6.032400 1.376904  19.40961   8.323123 28.90000  16.90000 10.20000   16.40000 7.416265 2.118547  5.460891 2.093203  1.955374       2.978211  
1 1 1 -3  4  30 o 148.1440 0.9184559 11249.88   139.4250 11388.40  278.8000 11111.30   278.9000 148.9461 1.826691  147.1193 1.850038  1.826859       2.599892  
1 1 1 -3  4  31 o 27.33278 0.3954045 382.8108   11.07449 406.4000  22.00000 358.9000   22.30000 28.14773 0.7634528 26.44768 0.8238513 1.700045       1.123206  
1 1 1 -3  4  32 o 57.46488 0.5579764 1692.382   32.85615 1709.900  53.80000 1664.900   84.40000 57.74777 0.9091775 56.93113 1.447928  0.8166428      1.709707  
1 1 1 -3  4  33 o 57.31996 0.5220630 1683.907   30.66389 1608.900  49.80000 1804.100   79.80000 56.01311 0.8676434 59.28016 1.313697  -3.267048      1.574358  
1 1 1 -3  4  34 o 61.33493 0.5410387 1928.245   34.00436 1861.500  56.20000 2030.500   86.10000 60.24142 0.9104219 62.87450 1.336381  -2.633072      1.617029  
1 1 1 -3  5  1  o 85.54727 1.043798  0.000000   0.000000 ?         ?        3750.000   91.50000 ?        ?         85.54727 1.043798  0.000000       1.043798  
1 1 1 -3  5  2  o 101.2835 0.7284308 5256.177   75.60059 4740.100  159.9000 5719.000   143.4000 96.17196 1.622563  105.6416 1.324694  -9.469673      2.094642  
1 1 1 -3  5  3  o 248.2537 1.625323  31584.90   413.4604 30505.00  968.6000 32389.20   721.4000 243.8156 3.876901  251.3266 2.801169  -7.511017      4.782981  
1 1 1 -3  5  4  o 133.7074 0.9042730 9160.403   123.8949 8582.600  280.2000 9618.400   222.1000 129.3986 2.113199  136.9978 1.582110  -7.599228      2.639826  
1 1 1 -3  5  5  f 431.6813 2.767761  95542.98   1224.307 93764.80  2912.300 96832.70   2112.300 426.9315 6.657015  434.2904 4.746538  -7.358917      8.175908  
1 1 1 -3  5  6  o 112.1518 0.7970558 6444.720   91.59958 6333.500  213.2000 6528.500   160.6000 111.1666 1.871606  112.8724 1.388544  -1.705750      2.330442  
1 1 1 -3  5  7  o 58.62015 0.4969885 1760.639   29.85325 1945.400  72.40000 1631.000   50.80000 61.61672 1.146678  56.41961 0.8786891 5.197109       1.444633  
1 1 1 -3  5  8  o 346.8902 2.289622  61675.47   813.8687 60971.50  1923.700 62191.70   1410.700 344.6093 5.447684  348.2120 3.953598  -3.602661      6.731136  
1 1 1 -3  5  9  o 168.8578 1.153382  14609.99   199.5688 14287.00  468.8000 14849.40   347.5000 166.9461 2.740393  170.2206 1.992252  -3.274475      3.388041  
1 1 1 -3  5  10 o 48.01218 0.4718121 1181.076   23.21234 915.3000  52.20000 1393.900   41.80000 42.24730 1.207031  52.15821 0.7820873 -9.910904      1.438258  
1 1 1 -3  5  11 f 238.8199 1.368840  29225.83   334.9822 28388.70  659.0000 30091.30   681.3000 235.3284 2.732831  242.2820 2.744220  -6.953598      3.872868  
1 1 1 -3  5  12 o 243.8714 1.622802  30477.16   405.5316 29151.40  930.5000 31501.30   718.8000 238.4038 3.808945  247.8859 2.829814  -9.482056      4.745093  
1 1 1 -3  5  13 o 362.5304 2.349429  67366.47   872.7805 68503.00  2133.700 66579.80   1476.900 365.1924 5.701817  360.2605 4.000700  4.931885       6.965365  
1 1 1 -3  5  14 o 274.2924 1.819377  38558.08   511.3696 37833.30  1213.700 39085.80   883.7000 271.5248 4.362179  276.0890 3.123614  -4.564209      5.365218  
1 1 1 -3  5  15 o 50.94193 0.5040576 1329.625   26.31201 1300.700  64.80000 1349.400   44.30000 50.38173 1.255173  51.31828 0.8424289 -0.9365501     1.511670  
1 1 1 -3  5  16 o 184.8553 1.267344  17510.80   240.0627 17695.90  581.6000 17380.70   408.8000 185.7535 3.055547  184.1371 2.166563  1.616425       3.745713  
1 1 1 -3  5  17 o 54.67149 0.5017632 1531.455   28.10982 1544.300  66.30000 1522.000   48.80000 54.89628 1.178616  54.50067 0.8738152 0.3956108      1.467204  
1 1 1 -3  5  18 o 47.44870 0.4503393 1153.534   21.89589 954.9000  44.40000 1346.800   43.20000 43.16793 1.003745  51.26781 0.8223194 -8.099888      1.297580  
1 1 1 -3  5  19 o 191.3296 1.311797  18761.69   257.1859 19432.30  627.3000 18295.70   435.9000 194.5709 3.146292  188.8797 2.252181  5.691208       3.869298  
1 1 1 -3  5  20 o 186.4313 1.289091  17814.24   246.2638 18715.50  608.9000 17202.20   413.5000 190.9180 3.112438  183.1354 2.203458  7.782608       3.813463  
1 1 1 -3  5  21 o 74.05011 0.6485676 2809.737   49.21294 2641.800  116.7000 2932.200   85.10000 71.78410 1.586515  75.63916 1.097955  -3.855064      1.929387  
1 1 1 -3  5  22 o 107.9001 0.8144953 5966.070   90.05520 6752.400  235.8000 5480.200   145.7000 114.7397 2.005543  103.3964 1.375169  11.34332       2.431726  
1 1 1 -3  5  23 o 106.2127 0.7934813 5780.939   86.35976 5716.700  203.0000 5828.500   150.3000 105.5777 1.876400  106.6297 1.375570  -1.051910      2.326600  
1 1 1 -3  5  24 o 260.3776 1.734183  34766.71   462.6971 35180.80  1118.600 34474.60   789.1000 261.3638 4.176678  259.0573 2.972610  2.306519       5.126504  
1 1 1 -3  5  25 o 139.0164 0.8582670 9903.785   122.2607 10017.20  247.2000 9792.800   241.9000 139.7606 1.726097  138.1877 1.708316  1.572952       2.428530  
1 1 1 -3  5  26 o 72.29090 0.5321987 2677.797   39.42356 2585.600  76.10000 2776.900   81.80000 71.02567 1.045613  73.60522 1.084542  -2.579552      1.506498  
1 1 1 -3  5  27 o 73.79107 0.5529721 2790.156   41.81244 2836.800  85.10000 2745.100   82.20000 74.39151 1.116369  73.17992 1.096179  1.211594       1.564573  
1 1 1 -3  5  28 o 108.8854 0.7233501 6075.931   80.70800 5816.100  154.4000 6360.500   169.1000 106.4954 1.414875  111.3630 1.481850  -4.867638      2.048841  
1 1 1 -3  5  29 o 74.73950 0.5467702 2862.469   41.87487 2963.700  83.90000 2761.600   83.60000 76.03146 1.076887  73.39178 1.111631  2.639687       1.547711  
1 1 1 -3  5  30 o 55.06004 0.4540561 1553.466   25.61795 1561.700  52.10000 1545.500   50.40000 55.19382 0.9211892 54.90767 0.8957756 0.2861595      1.284914  
1 1 1 -3  5  31 o 70.23399 0.5277406 2527.937   37.98099 2645.100  77.70000 2415.900   74.30000 71.81756 1.055825  68.63551 1.056432  3.182053       1.493592  
1 1 1 -3  5  32 o 32.10601 0.4187038 528.2313   13.77500 516.0000  22.80000 546.9000   34.80000 31.72665 0.7013136 32.63567 1.041946  -0.9090157     1.255983  
1 1 1 -3  5  33 f 28.49766 0.4476487 416.2011   13.07209 407.5000  22.10000 428.8000   32.00000 28.18055 0.7660330 28.88682 1.082983  -0.7062740     1.326521  
1 1 1 -3  6  1  o 302.6448 2.709585  0.000000   0.000000 ?         ?        46952.30   840.3000 ?        ?         302.6448 2.709585  0.000000       2.709585  
1 1 1 -3  6  2  o 402.2863 4.419682  0.000000   0.000000 ?         ?        83028.90   1821.900 ?        ?         402.2863 4.419682  0.000000       4.419682  
1 1 1 -3  6  3  f 342.0995 2.212754  59981.91   775.6826 60418.40  1887.200 59677.30   1317.000 343.0587 5.368477  341.1203 3.767731  1.938446       6.558684  
1 1 1 -3  6  4  o 100.5930 0.7169774 5184.648   73.90462 5007.300  169.4000 5321.900   131.1000 98.84980 1.672397  101.9121 1.255390  -3.062263      2.091151  
1 1 1 -3  6  5  o 191.7978 1.288932  18849.74   253.3215 18226.90  600.8000 19303.80   438.0000 188.5507 3.109593  194.0729 2.202474  -5.522232      3.810572  
1 1 1 -3  6  6  o 102.9679 0.7454576 5432.359   78.65441 5117.400  182.9000 5670.000   138.0000 99.92931 1.786169  105.1920 1.280259  -5.262733      2.197603  
1 1 1 -3  6  7  o 351.4367 1.954125  63296.34   703.7167 63110.10  1412.300 63481.30   1402.600 350.7769 3.929142  351.8107 3.890688  -1.033813      5.529521  
1 1 1 -3  6  8  f 243.8137 1.394255  30461.09   348.3362 29479.90  689.4000 31463.20   704.1000 239.8036 2.805544  247.7405 2.773569  -7.936859      3.945094  
1 1 1 -3  6  9  f 328.3734 1.827596  55260.23   614.9597 54678.90  1223.800 55847.40   1236.100 326.5195 3.657657  329.9901 3.655563  -3.470612      5.171227  
1 1 1 -3  6  10 o 332.9788 1.858027  56822.02   633.9675 57021.50  1272.300 56623.90   1263.600 333.4296 3.723806  332.2663 3.711291  1.163330       5.257415  
1 1 1 -3  6  11 o 162.7567 0.9632543 13573.08   160.6490 13385.30  320.5000 13761.80   322.1000 161.6085 1.935377  163.8660 1.918243  -2.257523      2.724947  
1 1 1 -3  6  12 o 283.4024 1.598548  41159.54   464.2240 41631.50  945.5000 40704.30   912.0000 284.9257 3.238409  281.7411 3.158976  3.184601       4.523983  
1 1 1 -3  6  13 o 107.3254 0.6700385 5901.894   73.68864 5506.800  138.4000 6351.800   157.6000 103.6648 1.302886  111.3334 1.381441  -7.668686      1.898919  
1 1 1 -3  6  14 f 321.5417 1.808715  52989.75   595.9444 53553.00  1200.500 52434.50   1183.400 323.0792 3.626225  319.6892 3.612478  3.390015       5.118546  
1 1 1 -3  6  15 o 99.82907 0.6301439 5106.269   64.46072 5755.900  148.0000 4605.000   114.2000 105.9797 1.362827  94.79677 1.175640  11.18291       1.799840  
1 1 1 -3  6  16 o 130.2026 0.8268887 8686.622   110.3228 8839.500  237.4000 8553.900   206.1000 131.3201 1.764213  129.1877 1.556891  2.132401       2.352947  
1 1 1 -3  6  17 o 199.2201 1.346016  20340.89   274.7778 19617.10  626.9000 20905.70   489.2000 195.5094 3.129193  201.9014 2.364552  -6.392029      3.922111  
1 1 1 -3  6  18 o 34.85768 0.4500315 622.5631   16.07458 705.3000  39.30000 565.3000   27.20000 37.08394 1.035222  33.21442 0.7991785 3.869514       1.307811  
1 1 1 -3  6  19 o 66.05647 0.5511154 2235.788   37.30407 2635.600  100.0000 1997.900   59.50000 71.70662 1.360951  62.43925 0.9299528 9.267365       1.648332  
1 1 1 -3  6  20 o 70.16980 0.6022630 2522.957   43.30468 2439.400  102.1000 2584.500   75.20000 68.98257 1.444402  71.01395 1.033417  -2.031380      1.776020  
1 1 1 -3  6  21 o 111.5666 0.8090505 6378.445   92.49287 6143.400  206.7000 6568.800   167.4000 109.4505 1.842995  113.1970 1.443186  -3.746414      2.340815  
1 1 1 -3  6  22 o 56.71569 0.5395472 1648.206   31.35675 1618.500  69.70000 1672.500   57.00000 56.19267 1.210472  57.12669 0.9737276 -0.9340134     1.553508  
1 1 1 -3  6  23 o 146.9891 1.044705  11073.45   157.3538 12178.80  408.1000 10379.80   256.1000 154.0196 2.585784  142.2677 1.756730  11.75197       3.126080  
1 1 1 -3  6  24 o 80.01859 0.6564565 3281.035   53.82639 3081.000  117.4000 3450.400   99.40000 77.51895 1.477957  82.04500 1.182322  -4.526047      1.892682  
1 1 1 -3  6  25 o 59.66024 0.5076727 1823.801   31.03610 1936.300  71.40000 1737.300   54.90000 61.46172 1.133692  58.22226 0.9202058 3.239464       1.460150  
1 1 1 -3  6  26 o 131.1825 0.9555858 8820.215   128.4529 8852.500  298.3000 8795.800   225.6000 131.3170 2.216839  130.9505 1.681255  0.3664551      2.782264  
1 1 1 -3  6  27 o 128.2410 0.9205461 8429.357   120.9681 8301.600  278.6000 8527.400   213.8000 127.1546 2.138211  128.9312 1.618272  -1.776550      2.681558  
1 1 1 -3  6  28 o 63.79721 0.5372877 2085.649   35.12424 2098.700  81.20000 2075.700   61.90000 63.97448 1.238656  63.63409 0.9492977 0.3403893      1.560588  
1 1 1 -3  6  29 o 100.5522 0.6745482 5181.833   69.50288 4977.800  134.0000 5401.700   144.4000 98.50961 1.327479  102.6141 1.373288  -4.104530      1.910005  
1 1 1 -3  6  30 o 61.02372 0.4641593 1908.288   29.02446 1870.800  57.80000 1946.100   58.30000 60.40479 0.9338090 61.60894 0.9234777 -1.204151      1.313320  
1 1 1 -3  6  31 o 107.1519 0.7059817 5885.726   77.51607 5709.600  146.2000 6084.500   165.0000 105.4613 1.352869  108.8478 1.479333  -3.386490      2.004665  
1 1 1 -3  6  32 f 52.06746 0.5004119 1389.456   26.69884 1359.100  44.00000 1436.300   67.90000 51.48044 0.8340883 52.89190 1.252801  -1.411457      1.505063  
1 1 1 -3  6  33 o 44.24923 0.5093715 1003.577   23.09610 925.8000  45.60000 1083.400   46.80000 42.47306 1.047739  45.95000 0.9939442 -3.476940      1.444189  
1 1 1 -3  7  1  o 296.6464 2.679499  0.000000   0.000000 ?         ?        45111.30   814.5000 ?        ?         296.6464 2.679499  0.000000       2.679499  
1 1 1 -3  7  2  o 158.0681 1.469381  0.000000   0.000000 ?         ?        12803.50   238.0000 ?        ?         158.0681 1.469381  0.000000       1.469381  
1 1 1 -3  7  3  o 37.52193 0.5323740 721.3536   20.46918 714.9000  58.80000 724.8000   31.40000 37.31893 1.540938  37.61091 0.8147370 -0.2919807     1.743068  
1 1 1 -3  7  4  o 176.9787 1.028513  16048.92   186.5215 15259.70  356.0000 16917.50   391.8000 172.5523 2.013404  181.6810 2.104537  -9.128677      2.912537  
1 1 1 -3  7  5  o 441.3587 2.419449  99850.61   1094.225 99665.00  2178.000 100038.0   2199.000 440.6484 4.823555  441.4660 4.861044  -0.8175659     6.848097  
1 1 1 -3  7  6  o 97.52271 0.6277868 4872.968   62.73592 5084.300  135.0000 4689.500   117.2000 99.60957 1.322618  95.66528 1.195570  3.944298       1.782892  
1 1 1 -3  7  7  o 111.9943 0.6990460 6426.552   80.22324 6309.900  159.7000 6544.300   161.2000 110.9665 1.404477  113.0089 1.392047  -2.042450      1.977461  
1 1 1 -3  7  8  o 145.4642 0.8733785 10841.99   130.1839 10874.80  263.3000 10809.90   257.5000 145.6697 1.763938  145.2351 1.730244  0.4345856      2.470875  
1 1 1 -3  7  9  o 147.3592 0.8788167 11126.36   132.7009 10673.50  256.8000 11610.60   274.6000 144.3148 1.736543  150.5157 1.780411  -6.200882      2.487056  
1 1 1 -3  7  10 o 85.50493 0.5475484 3745.958   47.97467 3723.400  96.20000 3768.400   95.70000 85.24340 1.101326  85.75707 1.089039  -0.5136719     1.548847  
1 1 1 -3  7  11 o 62.58908 0.4517038 2007.126   28.97015 1955.700  57.20000 2059.900   58.70000 61.78014 0.9035428 63.40461 0.9034807 -1.624466      1.277759  
1 1 1 -3  7  12 o 229.6814 1.312969  27033.76   309.0143 26051.40  599.8000 28077.70   637.4000 225.4045 2.596841  234.0021 2.658238  -8.597595      3.716156  
1 1 1 -3  7  13 o 42.21693 0.3662118 913.1653   15.84227 838.4000  32.40000 984.7000   31.00000 40.45050 0.7816689 43.83834 0.6900955 -3.387840      1.042707  
1 1 1 -3  7  14 o 219.8656 1.267872  24773.58   285.6480 23993.60  560.7000 25583.60   582.3000 216.2981 2.529760  223.3487 2.544280  -7.050583      3.587903  
1 1 1 -3  7  15 o 85.95290 0.5441835 3785.402   47.92965 3942.900  98.90000 3637.300   93.00000 87.71574 1.100324  84.24829 1.077267  3.467445       1.539876  
1 1 1 -3  7  16 o 104.1312 0.6563129 5556.079   70.03095 5222.100  135.8000 5911.700   144.6000 100.9395 1.312925  107.3977 1.313939  -6.458122      1.857474  
1 1 1 -3  7  17 o 25.44131 0.3815807 331.6367   9.947739 337.3000  19.60000 325.8000   20.20000 25.64551 0.7466361 25.20288 0.7831231 0.4426250      1.082011  
1 1 1 -3  7  18 f 76.68628 0.5338005 3013.257   41.94643 2979.700  87.00000 3044.500   81.00000 76.24852 1.113498  77.07505 1.025588  -0.8265305     1.513839  
1 1 1 -3  7  19 o 138.2886 0.8509256 9800.028   120.5803 9717.900  247.1000 9878.300   235.5000 137.6636 1.751682  138.8013 1.655766  -1.137680      2.410384  
1 1 1 -3  7  20 o 113.9634 0.7355688 6655.300   85.89880 6361.100  166.1000 6970.400   177.9000 111.3905 1.455201  116.6016 1.488925  -5.211121      2.081948  
1 1 1 -3  7  21 o 135.2265 0.8501040 9371.014   117.7964 9472.700  234.3000 9268.200   236.9000 135.9148 1.682314  134.4372 1.719679  1.477676       2.405717  
1 1 1 -3  7  22 o 62.04120 0.5370010 1972.280   34.13923 2092.000  81.40000 1885.800   58.80000 63.88366 1.243473  60.65992 0.9459695 3.223747       1.562396  
1 1 1 -3  7  23 o 159.9187 1.120911  13108.48   183.6829 12063.60  394.4000 14019.30   343.8000 153.2815 2.511012  165.3010 2.029701  -12.01944      3.228756  
1 1 1 -3  7  24 o 132.2078 0.9244226 8958.180   125.2351 9307.800  310.7000 8722.100   209.8000 134.6581 2.251699  130.4153 1.569924  4.242813       2.744961  
1 1 1 -3  7  25 o 13.40658 1.214220  0.000000   0.000000 ?         ?        92.90000   16.50000 ?        ?         13.40658 1.214220  0.000000       1.214220  
1 1 1 -3  7  26 o 134.5796 0.9549236 9283.694   131.6880 9955.700  338.6000 8856.000   215.5000 139.2043 2.373756  131.3899 1.600615  7.814362       2.862986  
1 1 1 -3  7  27 o 105.6091 0.7797146 5716.421   84.37920 5836.300  204.2000 5632.000   143.8000 106.6216 1.869012  104.7904 1.339180  1.831215       2.299263  
1 1 1 -3  7  28 o 15.68147 0.5701009 126.1866   9.145629 82.40000  18.70000 168.1000   17.90000 12.58617 1.478074  18.08155 0.9696392 -5.495379      1.767740  
1 1 1 -3  7  29 o 61.63639 0.5293518 1946.918   33.43336 1966.200  72.70000 1930.500   61.90000 61.91331 1.145914  61.35775 0.9845162 0.5555687      1.510758  
1 1 1 -3  7  30 o 31.54528 0.4277002 509.9459   13.82522 565.7000  31.90000 467.3000   24.40000 33.19911 0.9386463 30.17985 0.7896735 3.019258       1.226638  
1 1 1 -3  7  31 o 40.98351 0.4924427 860.8505   20.68060 857.6000  39.10000 864.5000   43.90000 40.88885 0.9331972 41.03371 1.044910  -0.1448555     1.400962  
1 1 1 -3  7  32 o 56.48294 0.5809903 1635.420   33.62673 1671.500  64.80000 1596.500   69.90000 57.06341 1.108202  55.75696 1.223432  1.306450       1.650726  
1 1 1 -3  8  1  o 120.1396 1.167273  0.000000   0.000000 ?         ?        7396.000   143.7000 ?        ?         120.1396 1.167273  0.000000       1.167273  
1 1 1 -3  8  2  o 427.1747 3.828866  0.000000   0.000000 ?         ?        93623.70   1676.000 ?        ?         427.1747 3.828866  0.000000       3.828866  
1 1 1 -3  8  3  o 280.9276 1.642088  40445.45   472.7039 42328.00  1351.400 39432.70   727.0000 287.1381 4.592982  277.3370 2.558163  9.801056       5.257346  
1 1 1 -3  8  4  o 85.19453 0.6661168 3718.865   58.15143 3781.700  142.8000 3675.700   98.10000 85.90211 1.622281  84.69521 1.130347  1.206894       1.977240  
1 1 1 -3  8  5  o 94.46316 0.5949316 4572.026   57.58746 4628.700  116.9000 4517.000   113.5000 95.04172 1.200333  93.88817 1.179741  1.153549       1.683030  
1 1 1 -3  8  6  o 60.21030 0.4409067 1857.457   27.20294 1878.900  56.00000 1837.200   52.90000 60.55493 0.9024853 59.87941 0.8621441 0.6755257      1.248107  
1 1 1 -3  8  7  o 182.9851 1.043240  17157.38   195.6133 16711.30  382.1000 17625.30   400.8000 180.5596 2.065181  185.4297 2.109357  -4.870132      2.952010  
1 1 1 -3  8  8  o 266.1768 1.493182  36309.64   407.2689 36350.10  817.7000 36269.50   811.4000 266.2198 2.997472  265.9264 2.977660  0.2934570      4.225080  
1 1 1 -3  8  9  o 230.2405 1.297935  27165.97   306.2196 26393.60  593.7000 27988.70   632.4000 226.8737 2.553786  233.6219 2.641678  -6.748199      3.674273  
1 1 1 -3  8  10 o 163.8022 0.9541698 13748.76   160.1562 13822.00  325.7000 13677.90   315.1000 164.2050 1.935678  163.3492 1.882492  0.8558350      2.700115  
1 1 1 -3  8  11 o 105.7569 0.6466265 5730.783   70.07458 6449.200  157.1000 5152.300   126.5000 112.1774 1.366698  100.2686 1.231196  11.90881       1.839485  
1 1 1 -3  8  12 o 129.4447 0.7746119 8585.842   102.7465 8346.100  204.3000 8828.400   206.7000 127.6042 1.562446  131.2403 1.537004  -3.636086      2.191716  
1 1 1 -3  8  13 o 77.36375 0.5018278 3066.656   39.78237 2794.600  74.40000 3379.300   85.50000 73.84720 0.9831970 81.20518 1.027505  -7.357979      1.422126  
1 1 1 -3  8  14 o 173.3456 0.9993689 15398.97   177.5159 15458.60  357.6000 15340.20   352.5000 173.6215 2.009998  172.9570 1.988944  0.6645508      2.827718  
1 1 1 -3  8  15 o 31.96754 0.3620507 523.6017   11.85979 574.2000  24.60000 476.5000   22.90000 33.47490 0.7171624 30.49424 0.7328570 2.980656       1.025379  
1 1 1 -3  8  16 o 125.0649 0.7915882 8015.184   101.4456 8331.900  207.7000 7712.800   198.3000 127.4790 1.590009  122.6521 1.577791  4.826920       2.239990  
1 1 1 -3  8  17 o 84.26440 0.5613705 3638.274   48.47213 3954.100  105.6000 3370.300   89.60000 87.83249 1.173303  81.09215 1.078278  6.740341       1.593526  
1 1 1 -3  8  18 o 78.09724 0.5525187 3125.210   44.21616 3081.400  89.70000 3167.800   87.20000 77.53674 1.128981  78.61747 1.082428  -1.080727      1.564049  
1 1 1 -3  8  19 o 158.8134 0.9501364 12925.98   154.6220 13470.50  318.4000 12411.90   300.6000 162.0546 1.917402  155.5596 1.885792  6.495041       2.689357  
1 1 1 -3  8  20 o 67.65565 0.4950729 2345.368   34.32193 2373.400  68.00000 2316.800   69.30000 68.05101 0.9751602 67.23403 1.005879  0.8169785      1.400975  
1 1 1 -3  8  21 o 55.73796 0.4198973 1591.830   23.98240 1542.600  46.70000 1643.800   49.30000 54.86451 0.8306670 56.63528 0.8494964 -1.770763      1.188130  
1 1 1 -3  8  22 o 77.98180 0.5298145 3116.012   42.33655 2987.400  80.10000 3260.200   89.80000 76.34484 1.023893  79.75217 1.098842  -3.407333      1.501936  
1 1 1 -3  8  23 o 98.83140 0.6437196 5005.309   65.19137 4980.300  128.9000 5030.900   131.9000 98.56002 1.276303  99.05825 1.299438  -0.4982300     1.821398  
1 1 1 -3  8  24 o 171.7086 1.008790  15113.31   177.4971 15379.10  359.5000 14854.10   350.6000 173.0867 2.026921  170.1092 2.011341  2.977493       2.855504  
1 1 1 -3  8  25 o 28.59467 0.3744070 418.9581   10.97052 324.5000  20.50000 527.7000   23.60000 25.14972 0.7964717 32.08857 0.7177336 -6.938854      1.072151  
1 1 1 -3  8  26 o 48.78216 0.4103743 1219.373   20.51349 1158.400  38.90000 1287.400   43.40000 47.53983 0.7985345 50.11579 0.8451170 -2.575962      1.162704  
1 1 1 -3  8  27 o 64.15399 0.4855262 2109.080   31.91793 2165.000  64.80000 2054.800   62.90000 64.98148 0.9731663 63.30624 0.9696293 1.675243       1.373766  
1 1 1 -3  8  28 o 69.97604 0.5752144 2509.582   41.24559 2579.500  100.0000 2460.500   70.20000 70.89233 1.376583  69.26743 0.9890305 1.624901       1.695040  
1 1 1 -3  8  29 o 50.29416 0.4676707 1296.326   24.10217 1214.700  51.90000 1367.100   45.00000 48.66044 1.040862  51.63364 0.8505139 -2.973202      1.344160  
1 1 1 -3  8  30 o 50.35074 0.5145498 1299.399   26.54799 1270.600  49.10000 1333.300   57.80000 49.76640 0.9628239 50.96883 1.106687  -1.202423      1.466897  
1 1 1 -3  8  31 o 42.38644 0.4807092 920.8373   20.87891 844.1000  35.90000 1027.500   49.90000 40.56519 0.8636597 44.73991 1.088446  -4.174725      1.389469  
1 1 1 -3  9  1  o 232.7917 1.860465  0.000000   0.000000 ?         ?        27779.60   443.8000 ?        ?         232.7917 1.860465  0.000000       1.860465  
1 1 1 -3  9  2  o 57.94672 0.6669111 0.000000   0.000000 ?         ?        1720.500   39.60000 ?        ?         57.94672 0.6669111 0.000000       0.6669111 
1 1 1 -3  9  3  f 197.4499 1.828717  0.000000   0.000000 ?         ?        19984.80   370.0000 ?        ?         197.4499 1.828717  0.000000       1.828717  
1 1 1 -3  9  4  o 223.5179 1.302387  25603.89   298.2983 25091.60  801.3000 25907.70   475.2000 221.0874 3.536981  224.7960 2.062953  -3.708618      4.094632  
1 1 1 -3  9  5  o 220.6805 1.469168  24960.02   332.2263 25069.00  806.6000 24883.70   564.9000 220.9775 3.562147  220.2713 2.502738  0.7062378      4.353457  
1 1 1 -3  9  6  o 143.1255 0.9732673 10497.13   142.7406 9909.300  326.2000 10954.50   253.8000 139.0108 2.290009  146.1870 1.694277  -7.176208      2.848634  
1 1 1 -3  9  7  o 166.0260 0.9533778 14125.05   162.1958 13915.20  320.1000 14340.60   328.8000 164.7494 1.896109  167.2475 1.918553  -2.498062      2.697420  
1 1 1 -3  9  8  o 93.56379 0.5841831 4485.509   56.00866 4136.000  104.5000 4889.200   120.7000 89.83666 1.135179  97.67321 1.205961  -7.836548      1.656193  
1 1 1 -3  9  9  o 177.5690 1.016507  16158.24   184.9592 15773.80  361.9000 16560.10   378.3000 175.3901 2.013655  179.7054 2.054361  -4.315277      2.876666  
1 1 1 -3  9  10 o 128.2796 0.7723192 8432.202   101.5203 9033.700  219.2000 7913.300   189.1000 132.7466 1.611457  124.2476 1.485269  8.498947       2.191533  
1 1 1 -3  9  11 o 159.5795 0.9259814 13050.07   151.4181 12913.90  300.8000 13188.10   304.9000 158.6954 1.849759  160.3709 1.855383  -1.675537      2.619934  
1 1 1 -3  9  12 o 182.3343 1.047213  17038.47   195.6599 16670.00  383.1000 17423.10   399.9000 180.2759 2.073844  184.2986 2.117537  -4.022736      2.963915  
1 1 1 -3  9  13 o 101.2854 0.6557861 5256.715   68.06244 5323.100  134.3000 5188.500   138.0000 101.9055 1.286115  100.6070 1.338606  1.298576       1.856329  
1 1 1 -3  9  14 o 84.80396 0.5507311 3685.008   47.85794 4047.500  103.8000 3374.900   88.80000 88.86445 1.139911  81.14748 1.067922  7.716972       1.562003  
1 1 1 -3  9  15 o 101.9314 0.6457309 5324.010   67.44629 5010.600  133.9000 5642.100   135.9000 98.86605 1.321706  104.9137 1.264121  -6.047699      1.828910  
1 1 1 -3  9  16 o 31.43893 0.3937991 506.4364   12.68647 371.3000  23.70000 662.1000   27.30000 26.90332 0.8608023 35.94514 0.7411806 -9.041822      1.135927  
1 1 1 -3  9  17 o 167.1877 0.9765051 14325.52   167.2928 14094.30  332.4000 14559.80   336.8000 165.7562 1.957009  168.4719 1.950951  -2.715668      2.763348  
1 1 1 -3  9  18 o 191.5179 1.117307  18800.48   219.2705 18202.70  424.1000 19440.40   454.0000 188.3354 2.197546  194.6215 2.276495  -6.286163      3.164117  
1 1 1 -3  9  19 o 70.49046 0.4974716 2546.050   35.93329 2638.700  74.40000 2459.500   69.50000 71.75176 1.011910  69.27332 0.9790851 2.478447       1.408038  
1 1 1 -3  9  20 o 71.24771 0.4880635 2601.050   35.63245 2407.900  67.40000 2817.700   75.60000 68.54257 0.9596241 74.14519 0.9950398 -5.602615      1.382383  
1 1 1 -3  9  21 o 65.62731 0.4740228 2206.875   31.87735 2209.600  62.10000 2204.000   65.50000 65.65939 0.9229887 65.57481 0.9747785 0.8457947E-01  1.342424  
1 1 1 -3  9  22 o 105.4895 0.6618940 5702.628   71.54776 5734.400  142.3000 5670.500   143.9000 105.7514 1.313168  105.1591 1.335413  0.5922928      1.872896  
1 1 1 -3  9  23 o 62.44570 0.4457812 1998.107   28.52480 2019.600  56.90000 1976.500   57.20000 62.77104 0.8846155 62.09723 0.8989292 0.6738167      1.261197  
1 1 1 -3  9  24 o 88.61282 0.5876333 4023.951   53.35821 3819.800  100.0000 4257.500   114.4000 86.31120 1.130666  91.11602 1.225273  -4.804817      1.667243  
1 1 1 -3  9  25 o 48.26178 0.4114907 1193.514   20.34988 1219.500  40.60000 1167.400   40.80000 48.77581 0.8123126 47.72190 0.8343418 1.053902       1.164465  
1 1 1 -3  9  26 o 21.42840 1.018501  236.0000   22.30000 236.0000  22.30000 ?          ?        21.42840 1.018501  ?        ?         0.000000       1.018501  
1 1 1 -3  9  27 o 95.07263 0.6211710 4632.970   60.51528 4681.300  124.0000 4586.900   118.2000 95.50469 1.267064  94.54277 1.220087  0.9619217      1.758995  
1 1 1 -3  9  28 o 25.31756 0.4413940 328.4902   11.45109 390.7000  21.50000 257.6000   24.50000 27.59364 0.7611076 22.38050 1.071423  5.213142       1.314242  
1 1 1 -3  9  29 o 47.88136 0.4648922 1175.019   22.80957 1219.000  40.10000 1117.000   52.90000 48.75323 0.8026804 46.64823 1.106680  2.104996       1.367127  
1 1 1 -3  10 1  o 24.83799 0.4675543 0.000000   0.000000 ?         ?        316.1000   11.90000 ?        ?         24.83799 0.4675543 0.000000       0.4675543 
1 1 1 -3  10 2  o 61.45685 0.6097651 0.000000   0.000000 ?         ?        1935.300   38.40000 ?        ?         61.45685 0.6097651 0.000000       0.6097651 
1 1 1 -3  10 3  o 119.3947 1.174555  0.000000   0.000000 ?         ?        7306.100   143.7000 ?        ?         119.3947 1.174555  0.000000       1.174555  
1 1 1 -3  10 4  o 193.2935 1.802911  0.000000   0.000000 ?         ?        19158.30   357.1000 ?        ?         193.2935 1.802911  0.000000       1.802911  
1 1 1 -3  10 5  o 51.41116 0.4179424 1354.262   22.01771 1607.500  70.10000 1238.300   32.10000 56.00254 1.221552  49.15934 0.6372365 6.843204       1.377773  
1 1 1 -3  10 6  f 201.8617 1.185062  20885.18   245.1282 20766.40  665.7000 20954.40   388.0000 201.0458 3.231359  202.1395 1.873192  -1.093689      3.735041  
1 1 1 -3  10 7  o 66.53347 0.5317531 2268.207   36.25339 2513.600  99.30000 2127.100   57.10000 70.02430 1.383892  64.42654 0.8649140 5.597763       1.631941  
1 1 1 -3  10 8  o 65.63140 0.5273097 2207.121   35.46303 2146.800  82.50000 2252.600   62.20000 64.71658 1.244056  66.29883 0.9155586 -1.582245      1.544643  
1 1 1 -3  10 9  o 152.1166 0.8916884 11858.31   138.9914 12787.80  294.4000 11027.00   263.3000 157.9076 1.819434  146.6389 1.752279  11.26875       2.526029  
1 1 1 -3  10 10 o 38.15030 0.3508260 745.7274   13.71476 744.7000  28.20000 746.7000   26.70000 38.12174 0.7219016 38.17321 0.6825810 -0.5147171E-01 0.9935083 
1 1 1 -3  10 11 o 170.0374 0.9742644 14817.78   169.7538 14849.60  345.2000 14787.00   334.0000 170.1425 1.979974  169.7896 1.919716  0.3529053      2.757827  
1 1 1 -3  10 12 o 62.79128 0.4526396 2020.204   29.12395 2004.300  57.90000 2036.300   58.60000 62.53757 0.9035229 63.03476 0.9072336 -0.4971886     1.280401  
1 1 1 -3  10 13 o 135.1633 0.8108375 9362.228   112.3029 9737.100  238.3000 9028.100   212.4000 137.7935 1.687707  132.6908 1.562123  5.102646       2.299692  
1 1 1 -3  10 14 o 34.90366 0.3849897 624.2114   13.76951 552.1000  28.10000 693.5000   27.00000 32.81202 0.8364292 36.78763 0.7162482 -3.975609      1.101193  
1 1 1 -3  10 15 o 173.0948 0.9977871 15356.27   176.9784 16291.00  377.6000 14531.70   333.1000 178.1842 2.068067  168.3040 1.931443  9.880188       2.829730  
1 1 1 -3  10 16 o 88.65076 0.5871423 4027.049   53.33646 3996.100  105.0000 4059.000   108.4000 88.29359 1.160544  88.98470 1.188819  -0.6911087     1.661371  
1 1 1 -3  10 17 o 82.86737 0.5695416 3518.750   48.36234 3614.600  94.10000 3417.400   99.50000 83.97467 1.093561  81.64850 1.189259  2.326172       1.615615  
1 1 1 -3  10 18 o 208.6321 1.205461  22314.16   257.7108 23157.90  526.5000 21505.20   504.8000 212.3551 2.419565  204.6397 2.407305  7.715393       3.413124  
1 1 1 -3  10 19 o 87.66353 0.5707488 3937.928   51.26988 4338.800  110.7000 3592.100   95.50000 91.99629 1.174300  83.70914 1.113351  8.287148       1.618187  
1 1 1 -3  10 20 o 62.94641 0.4399124 2030.259   28.37498 1984.100  56.70000 2076.500   56.80000 62.21761 0.8893471 63.65038 0.8708611 -1.432770      1.244724  
1 1 1 -3  10 21 o 141.3181 0.8428259 10236.06   122.0490 10372.80  244.8000 10100.10   243.4000 142.1770 1.680288  140.2940 1.693102  1.883011       2.385365  
1 1 1 -3  10 22 o 58.68945 0.4380275 1764.983   26.34267 1800.300  55.80000 1733.400   49.90000 59.26165 0.9188870 58.15272 0.8373985 1.108925       1.243217  
1 1 1 -3  10 23 o 94.17547 0.5957291 4545.229   57.48903 4843.400  121.9000 4279.100   108.8000 97.17515 1.224194  91.34388 1.162388  5.831268       1.688134  
1 1 1 -3  10 24 o 84.73265 0.5594518 3679.479   48.57489 3758.400  97.30000 3600.800   97.00000 85.60294 1.109241  83.78728 1.129784  1.815651       1.583296  
1 1 1 -3  10 25 o 56.52213 0.4132079 1637.129   23.93236 1762.800  49.20000 1518.100   46.60000 58.63607 0.8188452 54.41357 0.8357575 4.222500       1.170042  
1 1 1 -3  10 26 o 64.10973 0.4532384 2106.342   29.77481 2109.700  59.70000 2103.000   59.40000 64.13578 0.9083968 64.03409 0.9052673 0.1016922      1.282456  
1 1 1 -3  10 27 o 61.47026 0.5369684 1936.807   33.82301 1826.700  54.90000 2113.500   88.10000 59.67425 0.8978153 64.14049 1.340433  -4.466240      1.613330  
1 1 1 -3  10 28 o 45.12887 0.4470212 1043.817   20.67193 1051.200  34.40000 1032.700   51.80000 45.27477 0.7414875 44.83305 1.128440  0.4417191      1.350252  
1 1 1 -3  11 1  o 138.1477 1.142268  0.000000   0.000000 ?         ?        9782.200   161.7000 ?        ?         138.1477 1.142268  0.000000       1.142268  
1 1 1 -3  11 2  o 54.19696 0.5834072 0.000000   0.000000 ?         ?        1505.100   32.40000 ?        ?         54.19696 0.5834072 0.000000       0.5834072 
1 1 1 -3  11 3  o 87.37526 0.7896462 0.000000   0.000000 ?         ?        3912.300   70.70000 ?        ?         87.37526 0.7896462 0.000000       0.7896462 
1 1 1 -3  11 4  f 108.3780 1.094049  0.000000   0.000000 ?         ?        6020.300   121.5000 ?        ?         108.3780 1.094049  0.000000       1.094049  
1 1 1 -3  11 5  o 35.99258 0.5504079 0.000000   0.000000 ?         ?        663.8000   20.30000 ?        ?         35.99258 0.5504079 0.000000       0.5504079 
1 1 1 -3  11 6  o 152.7288 1.460686  0.000000   0.000000 ?         ?        11959.60   228.6000 ?        ?         152.7288 1.460686  0.000000       1.460686  
1 1 1 -3  11 7  o 45.06861 0.4217493 1040.741   19.47722 1004.300  52.40000 1062.300   31.00000 44.24882 1.156655  45.53099 0.6644406 -1.282177      1.333916  
1 1 1 -3  11 8  o 31.62894 0.3871736 512.5779   12.54841 548.6000  33.40000 490.9000   20.10000 32.70153 0.9979033 30.95156 0.6337458 1.749973       1.182136  
1 1 1 -3  11 9  o 72.07864 0.5622350 2662.127   41.52626 2496.600  98.30000 2783.200   71.90000 69.78289 1.374695  73.69197 0.9521610 -3.909081      1.672243  
1 1 1 -3  11 10 o 165.1954 1.107012  13987.88   187.3910 13832.70  451.2000 14098.10   320.5000 164.1040 2.683191  165.7769 1.886713  -1.672867      3.280122  
1 1 1 -3  11 11 o 167.0872 0.9600007 14308.65   164.3664 14301.60  333.5000 14315.50   324.1000 166.9596 1.949333  167.0472 1.893396  -0.8755493E-01 2.717508  
1 1 1 -3  11 12 o 36.53968 0.3515197 684.0972   13.16173 795.0000  29.60000 595.3000   23.70000 39.38729 0.7333937 34.08370 0.6785834 5.303596       0.9991705 
1 1 1 -3  11 13 o 49.47554 0.3894036 1254.223   19.74190 1215.300  40.30000 1291.600   38.70000 48.69714 0.8076128 50.20337 0.7522803 -1.506229      1.103705  
1 1 1 -3  11 14 o 81.85628 0.5406597 3433.387   45.34969 3723.700  96.70000 3177.000   85.40000 85.23100 1.107211  78.72776 1.058599  6.503235       1.531845  
1 1 1 -3  11 15 o 67.46061 0.4943216 2331.916   34.17104 2405.000  75.10000 2270.900   62.70000 68.49680 1.069969  66.56390 0.9192433 1.932907       1.410618  
1 1 1 -3  11 16 o 43.03357 0.3729961 948.8779   16.44789 1060.400  35.70000 853.6000   30.50000 45.48764 0.7659076 40.81231 0.7293068 4.675335       1.057593  
1 1 1 -3  11 17 o 41.52328 0.3566461 883.4440   15.17496 856.7000  30.40000 910.1000   30.30000 40.88590 0.7256072 42.14125 0.7016763 -1.255352      1.009384  
1 1 1 -3  11 18 o 46.04182 0.3550243 1086.184   16.74978 947.8000  31.40000 1244.400   35.90000 43.00450 0.7125533 49.27604 0.7109847 -6.271542      1.006594  
1 1 1 -3  11 19 o 107.9810 0.6763538 5975.600   74.83753 5964.200  153.1000 5986.500   146.4000 107.8308 1.385588  108.0377 1.322414  -0.2069168     1.915367  
1 1 1 -3  11 20 o 36.99874 0.3765213 701.4304   14.27496 655.5000  28.60000 747.2000   28.50000 35.76112 0.7804706 38.18167 0.7284363 -2.420547      1.067593  
1 1 1 -3  11 21 o 29.36830 0.3555237 441.9458   10.69907 431.6000  21.60000 452.1000   21.20000 29.00885 0.7272227 29.69960 0.6966054 -0.6907520     1.007031  
1 1 1 -3  11 22 o 111.9902 0.6850501 6428.567   78.61412 6599.100  159.1000 6262.000   155.4000 113.3931 1.369258  110.4584 1.372947  2.934685       1.939034  
1 1 1 -3  11 23 o 72.16711 0.4926006 2669.090   36.42778 2660.800  71.10000 2677.800   74.70000 72.02778 0.9633214 72.25394 1.008929  -0.2261581     1.394965  
1 1 1 -3  11 24 o 15.39113 0.5086983 121.5430   8.011838 127.3000  15.40000 115.3000   16.70000 15.72402 0.9603623 14.94953 1.097816  0.7744856      1.458594  
1 1 1 -3  11 25 o 59.76376 0.4298646 1830.490   26.32498 1872.100  52.60000 1788.800   52.70000 60.41433 0.8496644 59.05330 0.8708996 1.361031       1.216715  
1 1 1 -3  11 26 o 76.24371 0.5926628 2980.172   46.30310 2994.000  79.70000 2961.000   110.5000 76.37495 1.018378  75.88832 1.420983  0.4866333      1.748224  
1 1 1 -3  12 1  o 122.3785 1.040656  0.000000   0.000000 ?         ?        7676.400   130.5000 ?        ?         122.3785 1.040656  0.000000       1.040656  
1 1 1 -3  12 2  o 90.03326 0.7880123 0.000000   0.000000 ?         ?        4154.100   72.70000 ?        ?         90.03326 0.7880123 0.000000       0.7880123 
1 1 1 -3  12 3  o 129.6880 1.083588  0.000000   0.000000 ?         ?        8621.100   144.0000 ?        ?         129.6880 1.083588  0.000000       1.083588  
1 1 1 -3  12 4  o 200.3382 1.607016  0.000000   0.000000 ?         ?        20583.90   329.9000 ?        ?         200.3382 1.607016  0.000000       1.607016  
1 1 1 -3  12 5  f 59.24509 0.6045265 0.000000   0.000000 ?         ?        1798.600   36.70000 ?        ?         59.24509 0.6045265 0.000000       0.6045265 
1 1 1 -3  12 6  o 44.88346 0.6174952 0.000000   0.000000 ?         ?        1032.300   28.40000 ?        ?         44.88346 0.6174952 0.000000       0.6174952 
1 1 1 -3  12 7  o 13.70633 0.9021368 0.000000   0.000000 ?         ?        96.70000   12.60000 ?        ?         13.70633 0.9021368 0.000000       0.9021368 
1 1 1 -3  12 8  o 103.3432 0.6642892 5472.805   70.34568 5483.200  194.2000 5466.900   110.3000 103.3801 1.833218  103.2739 1.042285  0.1061478      2.108802  
1 1 1 -3  12 9  f 106.6701 0.6727833 5830.900   73.53876 6314.600  217.9000 5584.500   111.0000 110.9321 1.916909  104.3784 1.037800  6.553711       2.179810  
1 1 1 -3  12 10 f 123.5862 0.8549677 7827.871   108.2724 8102.100  275.2000 7650.000   178.5000 125.6293 2.137761  122.1400 1.426205  3.489334       2.569841  
1 1 1 -3  12 11 o 34.99918 0.4281578 627.6530   15.35536 739.2000  37.30000 549.6000   26.10000 37.96375 0.9595985 32.74768 0.7777886 5.216068       1.235227  
1 1 1 -3  12 12 o 38.71976 0.4111972 768.1892   16.31478 792.4000  38.90000 750.7000   28.10000 39.31812 0.9655138 38.27336 0.7164921 1.044765       1.202322  
1 1 1 -3  12 13 o 27.18739 0.4083037 378.7391   11.37494 419.2000  22.70000 338.1000   22.80000 28.58912 0.7755826 25.66893 0.8680684 2.920193       1.164075  
1 1 1 -3  12 14 o 94.88962 0.5774338 4614.083   56.14606 4668.900  114.9000 4561.700   109.8000 95.42414 1.175069  94.32463 1.136001  1.099510       1.634407  
1 1 1 -3  12 15 o 13.21762 0.5483481 89.68047   7.410774 97.30000  15.50000 82.70000   14.20000 13.73096 1.111105  12.65209 1.106408  1.078874       1.568022  
1 1 1 -3  12 16 o 55.45354 0.3965063 1575.689   22.53086 1623.600  47.70000 1532.800   42.70000 56.28086 0.8271024 54.68626 0.7619935 1.594597       1.124603  
1 1 1 -3  12 17 o 37.18877 0.3533313 708.6486   13.46456 630.0000  26.20000 791.8000   27.70000 35.05930 0.7292890 39.30519 0.6877515 -4.245884      1.002429  
1 1 1 -3  12 18 o 31.76481 0.3475558 517.0145   11.31277 550.9000  24.00000 486.8000   21.40000 32.78413 0.7144126 30.81850 0.6776476 1.965635       0.9846784 
1 1 1 -3  12 19 o 23.71970 0.3651383 288.2963   8.874929 307.4000  17.80000 269.3000   17.70000 24.47857 0.7103875 22.90796 0.7550613 1.570602       1.036710  
1 1 1 -3  12 20 o 84.43169 0.5447325 3653.549   47.12888 3698.100  97.30000 3611.700   91.40000 84.90231 1.118394  83.90997 1.063002  0.9923401      1.542978  
1 1 1 -3  12 21 o 10.97484 0.6835213 61.98627   7.648693 83.60000  15.10000 39.80000   15.50000 12.70916 1.172693  8.636018 1.809550  4.073142       2.156312  
1 1 1 -3  12 22 o 30.61496 0.3394752 480.2948   10.64977 468.6000  21.20000 492.1000   21.40000 30.23223 0.6843326 30.98133 0.6740859 -0.7490997     0.9605743 
1 1 1 -3  12 23 o 22.96461 0.3476336 270.2549   8.180488 256.7000  15.60000 285.2000   17.20000 22.36458 0.6815104 23.57274 0.7128850 -1.208155      0.9862360 
1 1 1 -3  12 24 o 20.01802 0.4792676 205.3970   9.830999 211.4000  17.40000 197.6000   22.60000 20.28233 0.8390188 19.58313 1.131044  0.6992016      1.408266  
1 1 1 -3  13 1  o 5.876443 1.803734  0.000000   0.000000 ?         ?        17.70000   11.90000 ?        ?         5.876443 1.803734  0.000000       1.803734  
1 1 1 -3  13 2  o 78.70292 0.7216619 0.000000   0.000000 ?         ?        3174.400   58.20000 ?        ?         78.70292 0.7216619 0.000000       0.7216619 
1 1 1 -3  13 3  f 22.21117 0.5536061 0.000000   0.000000 ?         ?        252.8000   12.60000 ?        ?         22.21117 0.5536061 0.000000       0.5536061 
1 1 1 -3  13 4  o 22.36044 0.5984564 0.000000   0.000000 ?         ?        256.4000   13.70000 ?        ?         22.36044 0.5984564 0.000000       0.5984564 
1 1 1 -3  13 5  o 99.19682 0.8686896 0.000000   0.000000 ?         ?        5043.500   88.30000 ?        ?         99.19682 0.8686896 0.000000       0.8686896 
1 1 1 -3  13 6  o 33.78781 0.5429994 0.000000   0.000000 ?         ?        585.0000   18.80000 ?        ?         33.78781 0.5429994 0.000000       0.5429994 
1 1 1 -3  13 7  o 77.14048 0.8033282 0.000000   0.000000 ?         ?        3049.900   63.50000 ?        ?         77.14048 0.8033282 0.000000       0.8033282 
1 1 1 -3  13 8  o 33.72410 0.5353441 0.000000   0.000000 ?         ?        582.8000   18.50000 ?        ?         33.72410 0.5353441 0.000000       0.5353441 
1 1 1 -3  13 9  o 84.37537 0.8501064 0.000000   0.000000 ?         ?        3649.100   73.50000 ?        ?         84.37537 0.8501064 0.000000       0.8501064 
1 1 1 -3  13 10 o 120.1571 0.7521320 7399.786   92.60661 7900.300  275.1000 7145.800   139.6000 123.9966 2.165123  118.0491 1.154049  5.947487       2.453484  
1 1 1 -3  13 11 o 94.09535 0.5897763 4537.350   56.86615 4296.800  149.7000 4684.700   91.70000 91.50217 1.596585  95.59473 0.9361318 -4.092560      1.850791  
1 1 1 -3  13 12 o 35.88371 0.3578617 659.7842   13.15864 545.9000  32.10000 738.9000   22.30000 32.61702 0.9614723 37.97160 0.5731226 -5.354584      1.119329  
1 1 1 -3  13 13 o 41.72982 0.3951788 892.3040   16.89813 922.5000  40.30000 870.5000   29.10000 42.41871 0.9271483 41.21184 0.6890847 1.206871       1.155180  
1 1 1 -3  13 14 o 13.56034 0.6807193 94.48572   9.428572 33.40000  22.00000 140.3000   16.50000 8.042384 2.449430  16.51251 0.9795542 -8.470122      2.638036  
1 1 1 -3  13 15 o 23.50492 0.4500250 283.1165   10.83911 301.4000  26.80000 270.7000   18.20000 24.21730 1.082705  22.96657 0.7744593 1.250732       1.331179  
1 1 1 -3  13 16 o 63.29672 0.4353061 2053.117   28.23413 1949.800  54.40000 2164.600   58.70000 61.66644 0.8608979 64.97327 0.8816679 -3.306831      1.232268  
1 1 1 -3  13 17 o 71.99023 0.4788360 2656.009   35.32309 2670.400  74.10000 2642.900   67.50000 72.15299 1.002226  71.78718 0.9176108 0.3658142      1.358847  
1 1 1 -3  13 18 o 81.58715 0.5261841 3411.699   43.99040 3254.900  86.70000 3573.200   89.30000 79.64547 1.062330  83.45106 1.044290  -3.805588      1.489660  
1 1 1 -3  13 19 o 45.45101 0.3617483 1058.620   16.84800 1067.200  35.10000 1050.700   32.40000 45.62011 0.7508485 45.26863 0.6984724 0.3514786      1.025494  
1 1 1 -3  13 20 o 34.86222 0.3302916 622.8140   11.79915 615.2000  23.80000 630.3000   23.40000 34.63850 0.6705319 35.06178 0.6513037 -0.4232750     0.9347777 
1 1 1 -3  13 21 o 24.55154 0.3576390 308.9084   8.997500 338.9000  18.30000 279.9000   17.70000 25.69783 0.6955940 23.34945 0.7407095 2.348379       1.016121  
1 1 1 -3  14 1  o 119.3520 1.022890  0.000000   0.000000 ?         ?        7304.200   125.1000 ?        ?         119.3520 1.022890  0.000000       1.022890  
1 1 1 -3  14 2  o 57.78743 0.5944440 0.000000   0.000000 ?         ?        1711.400   35.20000 ?        ?         57.78743 0.5944440 0.000000       0.5944440 
1 1 1 -3  14 3  o 48.58536 0.5443340 0.000000   0.000000 ?         ?        1209.700   27.10000 ?        ?         48.58536 0.5443340 0.000000       0.5443340 
1 1 1 -3  14 4  o 89.80104 0.7846165 0.000000   0.000000 ?         ?        4133.700   72.20000 ?        ?         89.80104 0.7846165 0.000000       0.7846165 
1 1 1 -3  14 5  o 50.90937 0.6191650 0.000000   0.000000 ?         ?        1328.300   32.30000 ?        ?         50.90937 0.6191650 0.000000       0.6191650 
1 1 1 -3  14 6  o 51.64883 0.5592846 0.000000   0.000000 ?         ?        1367.100   29.60000 ?        ?         51.64883 0.5592846 0.000000       0.5592846 
1 1 1 -3  14 7  o 39.89668 0.4916556 0.000000   0.000000 ?         ?        815.7000   20.10000 ?        ?         39.89668 0.4916556 0.000000       0.4916556 
1 1 1 -3  14 8  o 47.34434 0.5173772 0.000000   0.000000 ?         ?        1148.700   25.10000 ?        ?         47.34434 0.5173772 0.000000       0.5173772 
1 1 1 -3  14 9  o 49.05851 0.5947828 0.000000   0.000000 ?         ?        1233.500   29.90000 ?        ?         49.05851 0.5947828 0.000000       0.5947828 
1 1 1 -3  14 10 o 28.61999 0.5626213 0.000000   0.000000 ?         ?        419.8000   16.50000 ?        ?         28.61999 0.5626213 0.000000       0.5626213 
1 1 1 -3  14 11 o 62.73195 0.7000440 0.000000   0.000000 ?         ?        2017.300   45.00000 ?        ?         62.73195 0.7000440 0.000000       0.7000440 
1 1 1 -3  14 12 o 107.3740 0.6721773 5910.064   73.95737 5888.700  199.0000 5922.700   117.7000 107.0054 1.814884  107.4462 1.069023  -0.4407501     2.106328  
1 1 1 -3  14 13 o 82.99760 0.5311292 3530.656   45.17145 3528.100  125.1000 3532.100   70.70000 82.86807 1.473234  82.99299 0.8313418 -0.1249161     1.691611  
1 1 1 -3  14 14 o 35.13752 0.3488139 632.6813   12.55924 629.3000  31.70000 634.9000   20.80000 35.01614 0.8841790 35.19386 0.5767638 -0.1777229     1.055665  
1 1 1 -3  14 15 o 71.88585 0.5308590 2648.765   39.10398 2483.500  87.50000 2782.300   70.70000 69.54158 1.227906  73.64184 0.9369068 -4.100258      1.544522  
1 1 1 -3  14 16 o 6.666880 1.159649  23.48280   7.634713 4.600000  18.30000 37.00000   13.10000 5.216103 2.140414  8.342830 1.590392  -3.126727      2.666593  
1 1 1 -3  14 17 f 22.42377 0.4130603 257.7053   9.491183 321.0000  24.00000 216.3000   15.70000 24.99241 0.9388095 20.52254 0.7478197 4.469866       1.200249  
1 1 1 -3  14 18 o 31.55411 0.3698475 510.2697   11.95851 496.3000  26.20000 522.0000   22.00000 31.09141 0.8230849 31.90458 0.6729321 -0.8131733     1.063159  
1 1 1 -3  15 1  o 76.80337 1.010156  0.000000   0.000000 ?         ?        3026.300   79.50000 ?        ?         76.80337 1.010156  0.000000       1.010156  
1 1 1 -3  15 2  o 42.93326 0.7501044 0.000000   0.000000 ?         ?        945.1000   33.00000 ?        ?         42.93326 0.7501044 0.000000       0.7501044 
1 1 1 -3  15 3  o 50.56709 0.8298549 0.000000   0.000000 ?         ?        1311.300   43.00000 ?        ?         50.56709 0.8298549 0.000000       0.8298549 
1 1 1 -3  15 4  o 43.83938 0.6210712 0.000000   0.000000 ?         ?        985.2000   27.90000 ?        ?         43.83938 0.6210712 0.000000       0.6210712 
1 1 1 -3  15 5  o 36.49020 0.5482507 0.000000   0.000000 ?         ?        682.5000   20.50000 ?        ?         36.49020 0.5482507 0.000000       0.5482507 
1 1 1 -3  15 6  o 76.59102 0.8269296 0.000000   0.000000 ?         ?        3008.500   64.90000 ?        ?         76.59102 0.8269296 0.000000       0.8269296 
1 1 1 -3  15 7  o 48.39097 0.6392881 0.000000   0.000000 ?         ?        1200.500   31.70000 ?        ?         48.39097 0.6392881 0.000000       0.6392881 
1 1 1 -3  15 8  o 3.757727 1.664560  0.000000   0.000000 ?         ?        -4.400000  12.70000 ?        ?         3.757727 1.664560  0.000000       1.664560  
1 1 1 -3  15 9  o 42.89970 0.5550565 0.000000   0.000000 ?         ?        943.4000   24.40000 ?        ?         42.89970 0.5550565 0.000000       0.5550565 
1 1 1 -3  15 10 o 82.83711 0.7280566 0.000000   0.000000 ?         ?        3519.000   61.80000 ?        ?         82.83711 0.7280566 0.000000       0.7280566 
1 1 1 -3  15 11 o 58.32275 0.5605424 0.000000   0.000000 ?         ?        1743.800   33.50000 ?        ?         58.32275 0.5605424 0.000000       0.5605424 
1 1 1 -3  15 12 o 39.26810 0.5467445 0.000000   0.000000 ?         ?        790.5000   22.00000 ?        ?         39.26810 0.5467445 0.000000       0.5467445 
1 1 1 -3  15 13 o 22.06488 0.5887622 0.000000   0.000000 ?         ?        249.8000   13.30000 ?        ?         22.06488 0.5887622 0.000000       0.5887622 
1 1 1 -3  15 14 o 23.34368 0.6025011 0.000000   0.000000 ?         ?        279.6000   14.40000 ?        ?         23.34368 0.6025011 0.000000       0.6025011 
1 1 1 -3  16 1  o 38.28647 0.6321323 0.000000   0.000000 ?         ?        751.7000   24.80000 ?        ?         38.28647 0.6321323 0.000000       0.6321323 
1 1 1 -3  16 2  o 35.03379 0.6852508 0.000000   0.000000 ?         ?        629.5000   24.60000 ?        ?         35.03379 0.6852508 0.000000       0.6852508 
1 1 1 -3  16 3  o 53.19399 0.7558511 0.000000   0.000000 ?         ?        1451.600   41.20000 ?        ?         53.19399 0.7558511 0.000000       0.7558511 
1 1 1 -3  16 4  o 32.65181 0.6754649 0.000000   0.000000 ?         ?        546.8000   22.60000 ?        ?         32.65181 0.6754649 0.000000       0.6754649 
1 1 1 -3  16 5  o 15.54395 0.9462235 0.000000   0.000000 ?         ?        124.5000   15.00000 ?        ?         15.54395 0.9462235 0.000000       0.9462235 
1 1 1 -3  16 6  o 58.32469 0.8499882 0.000000   0.000000 ?         ?        1745.800   50.80000 ?        ?         58.32469 0.8499882 0.000000       0.8499882 
1 1 1 -3  16 7  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -2  0  1  o 229.0618 3.533329  26914.20   828.9000 26914.20  828.9000 26914.20   828.9000 229.0618 3.533329  229.0618 3.533329  0.000000       0.000000  
1 1 1 -2  0  2  o 77.14507 0.9566779 3050.700   75.60000 3050.700  75.60000 3050.700   75.60000 77.14507 0.9566779 77.14507 0.9566779 0.000000       0.000000  
1 1 1 -2  0  3  o 64.07444 0.9051042 2104.800   59.40000 2104.800  59.40000 2104.800   59.40000 64.07444 0.9051042 64.07444 0.9051042 0.000000       0.000000  
1 1 1 -2  0  4  o 208.8246 2.368159  22355.70   506.6000 22355.70  506.6000 22355.70   506.6000 208.8246 2.368159  208.8246 2.368159  0.000000       0.000000  
1 1 1 -2  0  5  o 122.9747 1.486054  7752.200   187.2000 7752.200  187.2000 7752.200   187.2000 122.9747 1.486054  122.9747 1.486054  0.000000       0.000000  
1 1 1 -2  0  6  o 29.02226 0.5384279 432.0000   16.00000 432.0000  16.00000 432.0000   16.00000 29.02226 0.5384279 29.02226 0.5384279 0.000000       0.000000  
1 1 1 -2  0  7  o 14.36164 0.5248173 106.1000   7.700000 106.1000  7.700000 106.1000   7.700000 14.36164 0.5248173 14.36164 0.5248173 0.000000       0.000000  
1 1 1 -2  0  8  o 235.3082 2.760048  28391.50   665.3000 28391.50  665.3000 28391.50   665.3000 235.3082 2.760048  235.3082 2.760048  0.000000       0.000000  
1 1 1 -2  0  9  o 81.01006 1.126843  3364.600   93.50000 3364.600  93.50000 3364.600   93.50000 81.01006 1.126843  81.01006 1.126843  0.000000       0.000000  
1 1 1 -2  0  10 o 94.02291 1.212757  4532.100   116.8000 4532.100  116.8000 4532.100   116.8000 94.02291 1.212757  94.02291 1.212757  0.000000       0.000000  
1 1 1 -2  0  11 o 28.41754 0.6429230 414.4000   18.70000 414.4000  18.70000 414.4000   18.70000 28.41754 0.6429230 28.41754 0.6429230 0.000000       0.000000  
1 1 1 -2  0  12 o 200.0975 2.332446  20528.50   478.1000 20528.50  478.1000 20528.50   478.1000 200.0975 2.332446  200.0975 2.332446  0.000000       0.000000  
1 1 1 -2  0  13 o 196.3296 3.281224  19773.90   659.7000 19773.90  659.7000 19773.90   659.7000 196.3296 3.281224  196.3296 3.281224  0.000000       0.000000  
1 1 1 -2  0  14 o 379.6774 6.009970  74002.20   2336.900 74002.20  2336.900 74002.20   2336.900 379.6774 6.009970  379.6774 6.009970  0.000000       0.000000  
1 1 1 -2  0  15 o 169.8022 2.939394  14789.90   511.1000 14789.90  511.1000 14789.90   511.1000 169.8022 2.939394  169.8022 2.939394  0.000000       0.000000  
1 1 1 -2  0  16 o 477.8046 7.551101  117285.0   3695.000 117285.0  3695.000 117285.0   3695.000 477.8046 7.551101  477.8046 7.551101  0.000000       0.000000  
1 1 1 -2  0  17 o 97.41553 1.945208  4868.600   194.0000 4868.600  194.0000 4868.600   194.0000 97.41553 1.945208  97.41553 1.945208  0.000000       0.000000  
1 1 1 -2  0  18 o 81.53815 1.665193  3411.000   139.0000 3411.000  139.0000 3411.000   139.0000 81.53815 1.665193  81.53815 1.665193  0.000000       0.000000  
1 1 1 -2  0  19 o 137.4075 2.432793  9685.400   342.3000 9685.400  342.3000 9685.400   342.3000 137.4075 2.432793  137.4075 2.432793  0.000000       0.000000  
1 1 1 -2  0  20 o 18.77006 1.164610  182.6000   22.20000 182.6000  22.20000 182.6000   22.20000 18.77006 1.164610  18.77006 1.164610  0.000000       0.000000  
1 1 1 -2  0  21 o 32.48648 2.366576  549.5000   77.80000 549.5000  77.80000 549.5000   77.80000 32.48648 2.366576  32.48648 2.366576  0.000000       0.000000  
1 1 1 -2  0  22 o 234.1011 3.948602  28143.30   946.6000 28143.30  946.6000 28143.30   946.6000 234.1011 3.948602  234.1011 3.948602  0.000000       0.000000  
1 1 1 -2  0  23 o 47.85575 1.368821  1176.500   67.00000 1176.500  67.00000 1176.500   67.00000 47.85575 1.368821  47.85575 1.368821  0.000000       0.000000  
1 1 1 -2  0  24 o 38.10451 0.8178388 745.0000   31.90000 745.0000  31.90000 745.0000   31.90000 38.10451 0.8178388 38.10451 0.8178388 0.000000       0.000000  
1 1 1 -2  0  25 o 30.28880 0.9234235 471.4000   28.60000 471.4000  28.60000 471.4000   28.60000 30.28880 0.9234235 30.28880 0.9234235 0.000000       0.000000  
1 1 1 -2  0  26 o 195.9935 2.411255  19706.20   484.1000 19706.20  484.1000 19706.20   484.1000 195.9935 2.411255  195.9935 2.411255  0.000000       0.000000  
1 1 1 -2  0  27 o 121.3281 1.599656  7548.900   198.8000 7548.900  198.8000 7548.900   198.8000 121.3281 1.599656  121.3281 1.599656  0.000000       0.000000  
1 1 1 -2  0  28 o 40.41691 0.8677309 838.2000   35.90000 838.2000  35.90000 838.2000   35.90000 40.41691 0.8677309 40.41691 0.8677309 0.000000       0.000000  
1 1 1 -2  0  29 o 90.48301 1.287280  4198.600   119.3000 4198.600  119.3000 4198.600   119.3000 90.48301 1.287280  90.48301 1.287280  0.000000       0.000000  
1 1 1 -2  0  30 o 148.1867 1.888770  11265.50   286.7000 11265.50  286.7000 11265.50   286.7000 148.1867 1.888770  148.1867 1.888770  0.000000       0.000000  
1 1 1 -2  0  31 o 28.22479 0.7549711 409.1000   21.80000 409.1000  21.80000 409.1000   21.80000 28.22479 0.7549711 28.22479 0.7549711 0.000000       0.000000  
1 1 1 -2  0  32 o 77.79467 1.094364  3103.900   87.20000 3103.900  87.20000 3103.900   87.20000 77.79467 1.094364  77.79467 1.094364  0.000000       0.000000  
1 1 1 -2  0  33 o 95.43436 1.301265  4672.600   127.2000 4672.600  127.2000 4672.600   127.2000 95.43436 1.301265  95.43436 1.301265  0.000000       0.000000  
1 1 1 -2  0  34 o 39.01048 0.7410812 780.8000   29.60000 780.8000  29.60000 780.8000   29.60000 39.01048 0.7410812 39.01048 0.7410812 0.000000       0.000000  
1 1 1 -2  0  35 o 108.5136 2.194585  6060.600   243.8000 6060.600  243.8000 6060.600   243.8000 108.5136 2.194585  108.5136 2.194585  0.000000       0.000000  
1 1 1 -2  1  1  o 134.6427 0.8993371 9288.797   124.0805 9157.700  295.3000 9383.800   214.0000 133.6703 2.155907  135.3217 1.543292  -1.651321      2.651355  
1 1 1 -2  1  2  o 258.3901 1.658327  34214.31   439.0808 33313.10  1032.800 34880.80   763.8000 254.8441 3.954972  260.8430 2.857605  -5.998886      4.879314  
1 1 1 -2  1  3  o 177.6192 1.185972  16165.64   215.8553 16185.70  522.1000 16151.50   368.0000 177.6850 2.867507  177.5240 2.022983  0.1609650      3.509282  
1 1 1 -2  1  4  o 266.2011 1.737697  36314.85   474.0044 36401.20  1144.500 36253.80   809.1000 266.3755 4.192983  265.9209 2.969282  0.4546204      5.137873  
1 1 1 -2  1  5  o 316.3878 2.051216  51302.83   665.0118 50763.60  1591.000 51690.10   1142.600 314.4888 4.937039  317.4853 3.512143  -2.996490      6.058837  
1 1 1 -2  1  6  o 409.0894 2.254257  85778.63   944.9743 85916.40  1891.600 85641.10   1888.300 409.1710 4.511553  408.5150 4.510914  0.6560059      6.379848  
1 1 1 -2  1  7  o 154.4032 0.9039304 12215.54   143.0177 12230.60  288.1000 12200.70   284.0000 154.4811 1.819993  154.2927 1.796282  0.1883545      2.557147  
1 1 1 -2  1  8  o 140.2831 0.8410829 10083.52   120.9045 9880.200  238.7000 10292.20   245.0000 138.8458 1.677727  141.7109 1.687192  -2.865097      2.379366  
1 1 1 -2  1  9  o 202.9979 1.192086  21117.20   247.9691 21976.80  509.7000 20302.80   482.9000 207.0264 2.402650  198.9877 2.368277  8.038651       3.373642  
1 1 1 -2  1  10 o 45.72496 0.4379549 1071.242   20.52018 1361.900  60.70000 922.8000   31.00000 51.55202 1.149065  42.43783 0.7128697 9.114189       1.352233  
1 1 1 -2  1  11 o 122.0101 0.8949508 7627.927   111.8906 8036.500  282.9000 7360.600   185.1000 125.2014 2.205086  119.8414 1.507305  5.359962       2.671025  
1 1 1 -2  1  12 o 89.70961 0.7020288 4123.521   64.53455 3772.000  145.3000 4404.400   116.1000 85.79081 1.652824  92.70985 1.222103  -6.919044      2.055569  
1 1 1 -2  1  13 o 245.8349 1.674813  30970.62   421.8988 31460.80  1029.400 30630.20   714.9000 247.6417 4.056598  244.4295 2.854259  3.212250       4.960119  
1 1 1 -2  1  14 o 83.55661 0.6530409 3577.191   55.91387 3458.600  134.1000 3662.000   95.90000 82.15424 1.592944  84.53909 1.107038  -2.384850      1.939846  
1 1 1 -2  1  15 o 82.36143 0.6656965 3475.591   56.18217 3360.900  129.9000 3563.000   99.00000 80.98583 1.565315  83.38824 1.158596  -2.402405      1.947448  
1 1 1 -2  1  16 f 269.9380 1.834345  37342.04   507.3917 36923.00  1223.100 37639.10   867.1000 268.2660 4.449365  270.9494 3.123076  -2.683441      5.436033  
1 1 1 -2  1  17 o 211.6457 1.759166  22955.54   381.5176 22954.40  759.7000 22956.70   766.4000 211.5678 3.504243  211.5767 3.535000  -0.8895874E-02 4.977544  
1 1 1 -2  1  18 o 128.5781 1.192699  8471.372   157.1435 8144.300  300.5000 8829.900   329.4000 126.0507 2.326488  131.2459 2.449286  -5.195198      3.378098  
1 1 1 -2  1  19 o 216.0011 1.841538  23912.37   407.6008 24524.10  831.1000 23323.60   799.9000 218.6372 3.709633  213.2224 3.661041  5.414795       5.211967  
1 1 1 -2  1  20 o 41.01502 0.5241913 861.9236   22.03084 672.8000  39.20000 1104.600   50.30000 36.21965 1.057325  46.42894 1.057258  -10.20928      1.495236  
1 1 1 -2  1  21 o 117.3654 0.9123935 7058.352   109.7288 7169.600  189.8000 6905.900   260.1000 118.2721 1.566085  116.0562 2.187126  2.215950       2.690008  
1 1 1 -2  1  22 o 62.77855 0.5904835 2019.388   37.98546 1954.500  64.60000 2112.000   92.20000 61.75760 1.020807  64.19205 1.401688  -2.434452      1.734006  
1 1 1 -2  1  23 o 166.1676 1.194848  14151.54   203.4499 13868.20  342.0000 14567.60   502.2000 164.4448 2.029587  168.4563 2.909317  -4.011520      3.547301  
1 1 1 -2  1  24 o 117.2733 0.9176296 7047.868   110.2720 7269.300  191.0000 6745.400   260.9000 119.0776 1.565327  114.6711 2.220352  4.406502       2.716654  
1 1 1 -2  1  25 o 75.93317 0.6442046 2954.471   50.12493 2833.800  80.70000 3152.300   132.3000 74.35930 1.059107  78.41013 1.646605  -4.050827      1.957809  
1 1 1 -2  1  26 o 13.36466 0.6872906 91.76750   9.380710 70.70000  15.40000 124.6000   24.00000 11.67093 1.310310  15.51443 1.529525  -3.843503      2.014040  
1 1 1 -2  1  27 o 142.5324 0.9030488 10411.25   131.8935 10166.70  256.5000 10670.10   271.5000 140.7986 1.777832  144.2376 1.836932  -3.439041      2.556366  
1 1 1 -2  1  28 f 55.15824 0.4600411 1558.905   26.00192 1652.100  53.60000 1471.100   50.50000 56.77708 0.9212837 53.57673 0.9198496 3.200352       1.301878  
1 1 1 -2  1  29 o 142.8849 0.8949788 10463.51   131.0381 10858.90  264.6000 10075.60   259.6000 145.4926 1.774805  140.1436 1.807728  5.348953       2.533340  
1 1 1 -2  1  30 o 38.23757 0.4091004 749.1737   16.02945 616.8000  28.40000 920.7000   36.80000 34.69158 0.7989063 42.38410 0.8473180 -7.692520      1.164560  
1 1 1 -2  1  31 o 58.58249 0.4817142 1758.577   28.91715 1707.700  54.90000 1815.200   61.10000 57.71848 0.9282375 59.50504 1.002049  -1.786556      1.365916  
1 1 1 -2  1  32 o 85.67120 0.5769593 3761.331   50.64988 3995.200  110.8000 3564.400   93.30000 88.25757 1.225150  83.37268 1.092093  4.884888       1.641237  
1 1 1 -2  1  33 o 100.6180 0.6758922 5189.267   69.68694 5098.200  132.5000 5290.300   147.0000 99.67377 1.297289  101.5193 1.413092  -1.845528      1.918277  
1 1 1 -2  1  34 o 35.81651 0.4592580 657.4215   16.85538 745.5000  31.10000 553.2000   36.80000 38.13082 0.7959502 32.81756 1.095854  5.313263       1.354412  
1 1 1 -2  1  35 o 46.40219 0.6452045 1103.821   30.67851 1106.600  65.90000 1101.400   57.40000 46.39095 1.387850  46.30151 1.210853  0.8944321E-01  1.841817  
1 1 1 -2  2  1  o 397.8325 3.075193  81146.70   1253.635 83412.30  2578.800 79003.40   2439.600 402.9103 6.246129  392.1485 6.071132  10.76178       8.710497  
1 1 1 -2  2  2  o 274.4100 1.780151  38589.54   500.5589 38945.10  1221.300 38342.60   848.2000 275.5139 4.325941  273.4704 3.026841  2.043488       5.279728  
1 1 1 -2  2  3  o 464.0644 3.572906  110441.6   1699.019 112652.0  3470.000 108321.0   3329.000 468.0048 7.235704  458.9580 7.078519  9.046753       10.12229  
1 1 1 -2  2  4  o 333.3507 2.148011  56954.23   733.7300 56856.70  1774.300 57023.00   1251.100 332.7767 5.203263  333.4387 3.661657  -0.6619873     6.362521  
1 1 1 -2  2  5  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -2  2  6  o 142.2682 1.636682  0.000000   0.000000 ?         ?        10372.70   238.6000 ?        ?         142.2682 1.636682  0.000000       1.636682  
1 1 1 -2  2  7  o 321.0069 3.577584  0.000000   0.000000 ?         ?        52869.10   1176.800 ?        ?         321.0069 3.577584  0.000000       3.577584  
1 1 1 -2  2  8  o 264.1967 2.992353  0.000000   0.000000 ?         ?        35805.20   810.1000 ?        ?         264.1967 2.992353  0.000000       2.992353  
1 1 1 -2  2  9  o 24.96753 0.4885805 0.000000   0.000000 ?         ?        319.4000   12.50000 ?        ?         24.96753 0.4885805 0.000000       0.4885805 
1 1 1 -2  2  10 o 65.04874 0.5471289 2168.026   36.46926 2233.300  95.50000 2127.700   59.00000 66.01276 1.411813  64.43864 0.8935261 1.574120       1.670810  
1 1 1 -2  2  11 o 130.5593 0.9613700 8734.341   128.6165 9431.900  337.0000 8303.800   208.0000 135.6340 2.424728  127.2889 1.594683  8.345039       2.902123  
1 1 1 -2  2  12 o 36.13958 0.4114156 669.1768   15.23569 664.6000  38.30000 672.2000   25.30000 35.99936 1.039347  36.22065 0.6816569 -0.2212982     1.242939  
1 1 1 -2  2  13 o 267.4660 1.801143  36660.93   493.6455 35011.50  1143.900 37913.10   868.4000 261.2438 4.273107  271.9343 3.116430  -10.69055      5.288816  
1 1 1 -2  2  14 o 351.8997 2.336215  63468.63   842.4226 63263.40  2035.000 63613.60   1437.500 351.0299 5.657465  352.1832 3.983280  -1.153259      6.919063  
1 1 1 -2  2  15 o 152.0112 1.090637  11840.06   169.8847 11177.10  389.5000 12352.90   301.3000 147.6671 2.574100  155.2559 1.893881  -7.588760      3.195743  
1 1 1 -2  2  16 o 226.2032 1.570680  26220.59   364.0699 25308.70  851.5000 26901.70   636.0000 222.1434 3.740700  229.0823 2.709363  -6.938980      4.618819  
1 1 1 -2  2  17 o 279.1492 1.881056  39935.63   538.0673 40234.50  1302.300 39725.20   916.9000 280.0063 4.538839  278.3394 3.214763  1.666992       5.561993  
1 1 1 -2  2  18 o 125.1165 0.8124740 8020.895   104.1652 7705.700  201.1000 8359.600   216.1000 122.6234 1.600444  127.7194 1.651200  -5.096008      2.299540  
1 1 1 -2  2  19 o 11.07498 0.6482825 63.06076   7.324915 30.50000  14.70000 95.40000   14.60000 7.566983 1.899053  13.60384 1.055608  -6.036855      2.172719  
1 1 1 -2  2  20 o 84.05079 0.6122881 3619.708   52.73464 3669.900  107.3000 3571.200   103.7000 84.62506 1.237378  83.47967 1.212271  1.145393       1.732254  
1 1 1 -2  2  21 o 97.75827 0.7513828 4896.838   75.26847 4759.100  128.2000 5092.700   182.3000 96.36470 1.298290  99.67266 1.784893  -3.307961      2.207125  
1 1 1 -2  2  22 o 71.78711 0.6460208 2640.575   47.52163 2571.300  80.50000 2740.400   116.0000 70.83328 1.109073  73.11660 1.548259  -2.283318      1.904508  
1 1 1 -2  2  23 o 66.84763 0.5862616 2289.687   40.15834 2438.000  70.00000 2090.100   94.20000 68.97340 0.9904168 63.85452 1.439663  5.118885       1.747442  
1 1 1 -2  2  24 o 39.16373 0.5040546 785.8951   20.22833 747.1000  34.60000 840.5000   48.70000 38.18229 0.8843327 40.47861 1.175344  -2.296322      1.470877  
1 1 1 -2  2  25 o 133.8150 0.9831759 9176.821   134.8138 9480.800  234.3000 8764.900   317.5000 135.9787 1.681524  130.6944 2.370765  5.284363       2.906553  
1 1 1 -2  2  26 o 105.4928 0.8448098 5703.000   91.32298 5892.500  156.9000 5439.100   218.5000 107.2107 1.428192  102.9701 2.070818  4.240578       2.515555  
1 1 1 -2  2  27 o 39.16678 0.4805042 786.0231   19.28473 873.3000  35.10000 679.6000   42.80000 41.28108 0.8297698 36.39463 1.149086  4.886448       1.417363  
1 1 1 -2  2  28 o 37.71525 0.4950092 728.8521   19.13060 751.5000  33.50000 698.7000   44.60000 38.29351 0.8537313 36.90063 1.181034  1.392879       1.457291  
1 1 1 -2  2  29 o 27.27961 0.3970151 381.3054   11.09797 396.3000  21.90000 365.9000   22.50000 27.79769 0.7695825 26.70733 0.8231375 1.090355       1.126860  
1 1 1 -2  2  30 o 94.36222 0.6824153 4563.126   65.98501 4419.500  128.8000 4714.000   135.3000 92.83463 1.353965  95.87636 1.377171  -3.041733      1.931275  
1 1 1 -2  2  31 o 131.0514 0.8193498 8802.917   110.0296 8891.000  217.1000 8712.400   223.1000 131.6296 1.609562  130.2930 1.671014  1.336639       2.320125  
1 1 1 -2  2  32 o 19.04903 0.4917451 186.0727   9.590649 197.2000  20.40000 176.2000   18.10000 19.58447 1.020045  18.51356 0.9573438 1.070913       1.398928  
1 1 1 -2  2  33 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -2  2  34 o 57.02734 0.5346077 1666.822   31.24041 1634.600  54.50000 1710.100   73.20000 56.45229 0.9421424 57.71818 1.237656  -1.265884      1.555450  
1 1 1 -2  2  35 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -2  3  1  o 127.0765 0.8731325 8274.245   113.6956 8491.300  284.9000 8130.100   189.2000 128.7099 2.160142  125.9568 1.465889  2.753006       2.610564  
1 1 1 -2  3  2  o 205.1469 2.293368  0.000000   0.000000 ?         ?        21572.80   482.1000 ?        ?         205.1469 2.293368  0.000000       2.293368  
1 1 1 -2  3  3  o 242.4918 2.712869  0.000000   0.000000 ?         ?        30148.50   674.1000 ?        ?         242.4918 2.712869  0.000000       2.712869  
1 1 1 -2  3  4  o 155.2125 1.775577  0.000000   0.000000 ?         ?        12347.00   282.4000 ?        ?         155.2125 1.775577  0.000000       1.775577  
1 1 1 -2  3  5  o 90.47627 1.133626  0.000000   0.000000 ?         ?        4194.700   105.1000 ?        ?         90.47627 1.133626  0.000000       1.133626  
1 1 1 -2  3  6  o 205.7874 2.363054  0.000000   0.000000 ?         ?        21713.20   498.3000 ?        ?         205.7874 2.363054  0.000000       2.363054  
1 1 1 -2  3  7  o 177.0560 2.054787  0.000000   0.000000 ?         ?        16071.50   372.8000 ?        ?         177.0560 2.054787  0.000000       2.054787  
1 1 1 -2  3  8  o 96.60903 1.220256  0.000000   0.000000 ?         ?        4783.000   120.8000 ?        ?         96.60903 1.220256  0.000000       1.220256  
1 1 1 -2  3  9  o 242.4125 2.766091  0.000000   0.000000 ?         ?        30139.10   687.1000 ?        ?         242.4125 2.766091  0.000000       2.766091  
1 1 1 -2  3  10 o 326.9416 3.696514  0.000000   0.000000 ?         ?        54849.00   1238.400 ?        ?         326.9416 3.696514  0.000000       3.696514  
1 1 1 -2  3  11 o 308.8355 3.510342  0.000000   0.000000 ?         ?        48920.00   1110.900 ?        ?         308.8355 3.510342  0.000000       3.510342  
1 1 1 -2  3  12 f 158.9918 1.974594  0.000000   0.000000 ?         ?        12955.00   321.7000 ?        ?         158.9918 1.974594  0.000000       1.974594  
1 1 1 -2  3  13 o 188.4291 2.204221  0.000000   0.000000 ?         ?        18197.10   425.6000 ?        ?         188.4291 2.204221  0.000000       2.204221  
1 1 1 -2  3  14 o 260.4629 1.489295  34763.58   397.4888 33845.90  769.5000 35744.10   822.2000 256.9478 2.922574  264.0486 3.038752  -7.100891      4.216094  
1 1 1 -2  3  15 o 256.0609 1.482905  33598.76   389.0944 34267.00  787.6000 32946.30   769.0000 258.5335 2.972970  253.5031 2.960361  5.030396       4.195508  
1 1 1 -2  3  16 f 209.6203 1.236990  22515.72   265.7038 22440.40  526.7000 22592.40   536.2000 209.2332 2.456599  209.9392 2.492498  -0.7059631     3.499633  
1 1 1 -2  3  17 o 185.0480 1.115656  17546.21   211.5501 17968.70  429.7000 17136.50   416.7000 187.2327 2.239677  182.8461 2.224024  4.386581       3.156332  
1 1 1 -2  3  18 o 164.9286 1.006596  13938.09   170.1177 14425.00  350.9000 13479.90   330.2000 167.7586 2.041268  162.1717 1.987027  5.586960       2.848693  
1 1 1 -2  3  19 o 202.4328 1.195573  20999.37   248.0020 21515.70  503.0000 20497.20   489.2000 204.8522 2.396232  199.9454 2.387683  4.906876       3.382745  
1 1 1 -2  3  20 o 172.7716 1.224298  15297.17   216.7494 15146.10  515.7000 15406.70   373.9000 171.8247 2.928959  173.3507 2.104900  -1.526031      3.606855  
1 1 1 -2  3  21 o 111.0208 0.7273416 6315.685   82.74490 6484.500  166.8000 6149.500   164.2000 112.4782 1.447202  109.5338 1.462940  2.944405       2.057811  
1 1 1 -2  3  22 o 92.95360 0.6394251 4427.322   60.90519 4056.000  113.6000 4856.500   131.3000 88.95865 1.246212  97.34015 1.316359  -8.381500      1.812690  
1 1 1 -2  3  23 o 137.1589 0.8617967 9640.431   121.1231 9686.300  241.3000 9594.200   243.2000 137.4473 1.713257  136.7911 1.735032  0.6562805      2.438357  
1 1 1 -2  3  24 o 79.29861 0.5753341 3222.091   46.75026 2936.400  88.50000 3542.000   99.10000 75.69167 1.141029  83.13076 1.163358  -7.439095      1.629525  
1 1 1 -2  3  25 o 102.1034 0.8123577 5342.314   84.99354 5428.100  145.9000 5222.600   203.6000 102.9018 1.383675  100.9073 1.969051  1.994492       2.406599  
1 1 1 -2  3  26 o 127.7282 0.9580992 8361.057   125.3994 8033.800  207.6000 8860.300   316.7000 125.1716 1.618538  131.3955 2.352173  -6.223831      2.855238  
1 1 1 -2  3  27 o 19.96019 0.5994214 204.3335   12.24624 181.1000  19.80000 242.0000   32.10000 18.76908 1.033483  21.67717 1.453521  -2.908089      1.783482  
1 1 1 -2  3  28 o 137.3226 1.010133  9665.351   142.1409 9804.000  241.2000 9466.400   346.1000 138.2556 1.702536  135.7711 2.487689  2.484497       3.014502  
1 1 1 -2  3  29 o 127.3291 0.9446415 8309.888   123.2517 8328.100  208.0000 8283.400   302.5000 127.4221 1.593016  126.9992 2.324481  0.4229126      2.817963  
1 1 1 -2  3  30 o 193.4261 1.363896  19187.97   270.3303 19124.00  465.9000 19276.40   644.0000 192.9136 2.356847  193.4237 3.249211  -0.5100403     4.013988  
1 1 1 -2  3  31 o 42.07230 0.4906715 907.0465   21.15366 890.9000  33.20000 935.4000   58.30000 41.69119 0.7771332 42.68248 1.334611  -0.9912872     1.544384  
1 1 1 -2  3  32 o 58.41021 0.4393944 1748.303   26.29914 1774.900  52.30000 1721.400   52.90000 58.83895 0.8674380 57.94438 0.8909349 0.8945694      1.243468  
1 1 1 -2  3  33 o 6.471119 1.414895  22.34000   9.120000 27.90000  15.20000 14.00000   22.80000 7.250791 1.987124  6.410944 2.465330  0.8398466      3.166467  
1 1 1 -2  3  34 o 61.03298 0.5444401 1909.277   34.04968 1841.100  55.70000 2016.500   87.60000 59.91239 0.9072776 62.65813 1.364358  -2.745743      1.638482  
1 1 1 -2  4  1  o 102.2189 0.7057988 5353.796   73.92828 5122.200  172.1000 5528.200   129.6000 99.96695 1.680065  103.8632 1.217713  -3.896240      2.074956  
1 1 1 -2  4  2  o 85.13975 0.6285708 3714.136   54.83842 3590.600  136.2000 3797.400   91.80000 83.69905 1.588028  86.08454 1.040685  -2.385490      1.898646  
1 1 1 -2  4  3  o 113.4145 0.7874538 6590.899   91.51492 5877.300  199.6000 7195.100   169.0000 107.0778 1.819125  118.4875 1.391924  -11.40970      2.290561  
1 1 1 -2  4  4  o 115.0880 1.387250  0.000000   0.000000 ?         ?        6788.200   163.6000 ?        ?         115.0880 1.387250  0.000000       1.387250  
1 1 1 -2  4  5  o 119.8515 1.424939  0.000000   0.000000 ?         ?        7361.900   175.0000 ?        ?         119.8515 1.424939  0.000000       1.424939  
1 1 1 -2  4  6  o 217.4674 2.450191  0.000000   0.000000 ?         ?        24251.60   546.0000 ?        ?         217.4674 2.450191  0.000000       2.450191  
1 1 1 -2  4  7  o 50.78306 0.6956509 0.000000   0.000000 ?         ?        1321.400   36.20000 ?        ?         50.78306 0.6956509 0.000000       0.6956509 
1 1 1 -2  4  8  o 209.6470 2.392168  0.000000   0.000000 ?         ?        22533.60   513.9000 ?        ?         209.6470 2.392168  0.000000       2.392168  
1 1 1 -2  4  9  f 53.58995 0.7866871 0.000000   0.000000 ?         ?        1471.500   43.20000 ?        ?         53.58995 0.7866871 0.000000       0.7866871 
1 1 1 -2  4  10 o 176.4691 2.046137  0.000000   0.000000 ?         ?        15960.50   370.0000 ?        ?         176.4691 2.046137  0.000000       2.046137  
1 1 1 -2  4  11 o 179.3327 1.237301  16479.08   227.3701 15742.80  524.6000 17042.30   401.3000 175.2389 2.921456  182.3525 2.147628  -7.113571      3.625908  
1 1 1 -2  4  12 f 99.19384 0.7407600 5041.427   75.29404 5069.100  177.8000 5021.100   130.6000 99.45753 1.744599  98.99004 1.287518  0.4674911      2.168255  
1 1 1 -2  4  13 f 331.9518 2.182570  56475.59   742.4061 57570.60  1811.400 55715.10   1258.000 334.8882 5.278568  329.6059 3.724666  5.282379       6.460373  
1 1 1 -2  4  14 o 202.1483 1.399861  20939.71   289.9701 20783.70  692.8000 21052.00   498.7000 201.3255 3.358231  202.6615 2.401429  -1.335968      4.128508  
1 1 1 -2  4  15 o 403.5656 2.632284  83489.44   1088.542 84190.40  2632.100 82995.10   1856.200 404.7298 6.346566  402.1595 4.504308  2.570313       7.782525  
1 1 1 -2  4  16 o 329.5316 2.169646  55659.39   732.6294 57015.10  1803.400 54731.80   1233.900 333.1887 5.282062  326.6495 3.686376  6.539185       6.441238  
1 1 1 -2  4  17 o 8.841258 1.127597  40.70468   9.983499 36.70000  22.90000 43.80000   17.70000 8.404510 2.485369  9.069817 1.961641  -0.6653061     3.166243  
1 1 1 -2  4  18 o 246.0784 1.420098  31032.82   358.0882 32127.40  741.3000 30010.00   692.7000 250.2846 2.890423  241.9044 2.794494  8.380264       4.020416  
1 1 1 -2  4  19 o 151.0082 0.9202557 11684.87   142.3992 11943.50  285.5000 11427.50   284.1000 152.6423 1.825294  149.3072 1.856915  3.335022       2.603811  
1 1 1 -2  4  20 o 118.0405 0.7487676 7139.620   90.56837 7141.900  179.6000 7137.300   182.7000 118.0417 1.484815  118.0028 1.510942  0.3886414E-01  2.118401  
1 1 1 -2  4  21 o 150.5561 0.9362067 11615.81   144.4337 11818.50  297.3000 11424.30   280.9000 151.8174 1.911063  149.2686 1.836475  2.548752       2.650434  
1 1 1 -2  4  22 o 103.8268 0.6975288 5523.827   74.21131 5593.200  152.9000 5458.400   144.2000 104.4566 1.428477  103.1925 1.363700  1.264107       1.974899  
1 1 1 -2  4  23 o 75.31336 0.5428212 2906.339   41.89163 2714.900  77.70000 3130.300   90.90000 72.78311 1.041818  78.15109 1.135090  -5.367981      1.540719  
1 1 1 -2  4  24 o 172.1795 1.043714  15193.71   184.1456 15205.00  366.5000 15182.30   370.1000 172.1657 2.077442  172.0349 2.099443  0.1307678      2.953545  
1 1 1 -2  4  25 o 180.1658 1.074512  16636.50   198.3727 16372.20  395.4000 16902.60   398.1000 178.6360 2.160077  181.5088 2.140406  -2.872803      3.040933  
1 1 1 -2  4  26 o 104.2690 0.6911508 5571.150   73.84590 5733.400  148.8000 5411.300   146.6000 105.7527 1.373135  102.7383 1.392526  3.014389       1.955666  
1 1 1 -2  4  27 o 85.84352 0.5976474 3776.058   52.57157 3949.700  106.0000 3605.200   104.3000 87.77898 1.178466  83.86227 1.213722  3.916702       1.691716  
1 1 1 -2  4  28 o 33.58604 0.3861014 577.9805   13.28797 585.5000  27.40000 570.9000   25.80000 33.80045 0.7910970 33.37676 0.7543573 0.4236870      1.093110  
1 1 1 -2  4  29 f 77.99789 0.6447788 3117.612   51.53378 3275.400  94.60000 2928.800   113.2000 79.92945 1.155010  75.56743 1.461886  4.362022       1.863105  
1 1 1 -2  4  30 o 57.11250 0.5197886 1671.480   30.41979 1710.200  52.00000 1616.900   73.30000 57.76150 0.8785501 56.14945 1.273973  1.612049       1.547533  
1 1 1 -2  4  31 o 94.56256 0.7459288 4583.406   72.27947 4380.800  120.2000 4889.000   181.3000 92.41235 1.269334  97.56417 1.813465  -5.151825      2.213564  
1 1 1 -2  4  32 o 35.31372 0.4435043 639.0560   16.04869 582.2000  25.50000 735.6000   43.30000 33.70047 0.7384242 37.85145 1.117591  -4.150986      1.339507  
1 1 1 -2  4  33 o 42.33039 0.4519210 918.2944   19.60258 845.3000  32.90000 1025.900   48.50000 40.60266 0.7907569 44.71669 1.058458  -4.114033      1.321223  
1 1 1 -2  4  34 o 56.04500 0.5168607 1609.938   29.68306 1575.100  49.70000 1661.600   73.70000 55.41538 0.8752412 56.88260 1.264415  -1.467216      1.537788  
1 1 1 -2  5  1  o 172.3526 1.608059  0.000000   0.000000 ?         ?        15224.80   284.0000 ?        ?         172.3526 1.608059  0.000000       1.608059  
1 1 1 -2  5  2  o 72.45276 0.5378792 2689.642   39.93356 3049.300  110.6000 2486.400   62.50000 77.13663 1.399252  69.65939 0.8755924 7.477242       1.650627  
1 1 1 -2  5  3  o 113.8288 0.7896326 6639.062   92.10337 7002.300  239.9000 6412.700   149.5000 116.8762 2.003114  111.8638 1.304227  5.012398       2.390287  
1 1 1 -2  5  4  o 86.69540 0.6338471 3851.066   56.30915 4045.600  143.2000 3725.000   92.80000 88.84730 1.572898  85.26096 1.062183  3.586342       1.897957  
1 1 1 -2  5  5  o 329.0145 2.149284  55489.70   724.6149 56213.90  1755.400 54980.60   1234.000 330.7634 5.179171  327.3463 3.678827  3.417114       6.352761  
1 1 1 -2  5  6  o 31.01693 0.3721611 492.9146   11.82846 561.2000  32.80000 454.4000   18.50000 33.08029 0.9686663 29.78019 0.6062419 3.300104       1.142735  
1 1 1 -2  5  7  o 163.7383 0.9792807 13737.36   164.3069 13352.20  325.2000 14130.70   332.1000 161.4071 1.966209  166.0462 1.951828  -4.639160      2.770489  
1 1 1 -2  5  8  o 303.3640 2.029670  47165.91   630.9396 46810.00  1519.600 47418.60   1078.900 301.9948 4.910566  304.0873 3.462458  -2.092590      6.008517  
1 1 1 -2  5  9  o 234.0461 1.544232  28069.95   370.3499 27958.60  889.4000 28149.40   634.6000 233.4903 3.717319  234.3403 2.642742  -0.8499451     4.560981  
1 1 1 -2  5  10 o 201.3315 1.353549  20770.41   279.2441 21706.30  701.3000 20151.20   464.0000 205.7537 3.326272  198.2852 2.283648  7.468506       4.034741  
1 1 1 -2  5  11 o 38.37174 0.4254489 754.3914   16.72851 831.6000  43.20000 705.6000   27.30000 40.27260 1.047719  37.10969 0.7179214 3.162910       1.270089  
1 1 1 -2  5  12 o 257.7967 1.700844  34057.65   449.3039 35050.70  1108.600 33380.90   755.5000 261.3922 4.138889  255.1717 2.889373  6.220535       5.047661  
1 1 1 -2  5  13 o 178.9222 1.241700  16403.95   227.6561 17040.90  579.4000 15991.70   375.0000 182.3064 3.101547  176.6410 2.071769  5.665314       3.729855  
1 1 1 -2  5  14 f 121.0357 0.8701648 7506.241   107.9229 7301.900  250.7000 7660.700   189.5000 119.3600 2.049732  122.2670 1.512522  -2.906990      2.547376  
1 1 1 -2  5  15 o 271.9581 1.815584  37905.53   505.9606 36911.00  1188.000 38643.30   881.3000 268.1792 4.323077  274.5107 3.133041  -6.331451      5.339002  
1 1 1 -2  5  16 o 164.1861 1.171019  13813.51   197.0148 12831.70  450.4000 14576.90   350.2000 158.1908 2.778553  168.6376 2.026578  -10.44678      3.439095  
1 1 1 -2  5  17 o 181.0561 1.261081  16799.00   233.9670 16874.60  554.4000 16743.80   404.8000 181.3782 2.982908  180.7215 2.185910  0.6566315      3.698100  
1 1 1 -2  5  18 o 125.3011 0.9023480 8045.120   115.8583 8536.600  291.0000 7720.000   192.5000 129.0316 2.200891  122.7287 1.530687  6.302948       2.680843  
1 1 1 -2  5  19 o 92.31544 0.7290195 4366.770   68.96231 4453.100  158.8000 4300.500   121.9000 93.20396 1.662715  91.60233 1.298670  1.601631       2.109778  
1 1 1 -2  5  20 o 90.36566 0.7047544 4184.312   65.25887 4049.400  144.8000 4295.000   118.8000 88.87655 1.589948  91.54164 1.266483  -2.665092      2.032711  
1 1 1 -2  5  21 o 84.61429 0.5701962 3668.525   49.43863 3631.200  97.40000 3707.000   100.4000 84.17263 1.129249  85.04607 1.152076  -0.8734360     1.613221  
1 1 1 -2  5  22 o 64.79287 0.5036338 2151.058   33.43801 1903.800  61.70000 2443.600   73.00000 60.94948 0.9879087 69.05089 1.031704  -8.101406      1.428418  
1 1 1 -2  5  23 o 52.91712 0.4338411 1434.776   23.52476 1411.000  47.20000 1458.400   46.90000 52.47250 0.8778329 53.34685 0.8579574 -0.8743439     1.227470  
1 1 1 -2  5  24 o 53.56754 0.4344487 1470.267   23.84727 1310.600  42.40000 1675.500   54.50000 50.57169 0.8182011 57.17838 0.9301785 -6.606693      1.238824  
1 1 1 -2  5  25 o 78.82926 0.5631666 3184.105   45.49071 3251.200  92.30000 3118.900   89.70000 79.64321 1.130979  78.00618 1.122187  1.637032       1.593241  
1 1 1 -2  5  26 o 103.3788 0.6737846 5476.462   71.37579 5272.900  139.1000 5691.000   146.6000 101.4156 1.338517  105.3587 1.357892  -3.943085      1.906698  
1 1 1 -2  5  27 o 101.9214 0.6630032 5323.255   69.24359 5565.200  141.5000 5091.400   135.6000 104.1840 1.325431  99.65028 1.327953  4.533691       1.876227  
1 1 1 -2  5  28 o 55.66028 0.4671421 1587.465   26.64359 1614.900  56.40000 1562.900   50.50000 56.12930 0.9805984 55.22038 0.8924701 0.9089203      1.325925  
1 1 1 -2  5  29 o 39.58299 0.3929258 802.8314   15.93740 816.2000  33.50000 790.7000   30.40000 39.90524 0.8192502 39.27806 0.7553098 0.6271706      1.114300  
1 1 1 -2  5  30 o 65.64349 0.4830541 2208.124   32.49269 2348.100  67.10000 2076.700   63.00000 67.67532 0.9675955 63.64428 0.9660127 4.031040       1.367268  
1 1 1 -2  5  31 o 11.06311 1.512707  64.00000   16.70000 64.00000  16.70000 ?          ?        11.06311 1.512707  ?        ?         0.000000       1.512707  
1 1 1 -2  5  32 o 53.74119 0.5079046 1480.171   27.96970 1412.200  45.90000 1586.200   71.60000 52.47855 0.8535569 55.59046 1.256940  -3.111904      1.519361  
1 1 1 -2  5  33 o 72.97790 0.6193021 2730.131   46.31187 2616.300  75.90000 2908.300   118.8000 71.40586 1.037312  75.21715 1.541350  -3.811287      1.857896  
1 1 1 -2  6  1  o 108.9472 1.087438  0.000000   0.000000 ?         ?        6081.900   121.4000 ?        ?         108.9472 1.087438  0.000000       1.087438  
1 1 1 -2  6  2  o 168.6920 2.005677  0.000000   0.000000 ?         ?        14584.40   346.7000 ?        ?         168.6920 2.005677  0.000000       2.005677  
1 1 1 -2  6  3  o 102.4133 0.6392795 5373.953   67.08808 5760.600  143.1000 5032.700   126.3000 106.0283 1.317102  99.10410 1.243693  6.924240       1.811499  
1 1 1 -2  6  4  o 116.0145 0.7107366 6896.185   84.49275 6993.400  173.5000 6803.900   164.7000 116.8227 1.449352  115.2297 1.394861  1.593002       2.011531  
1 1 1 -2  6  5  o 281.2973 1.591672  40548.61   458.7936 41806.40  939.8000 39348.90   896.4000 285.5495 3.211853  277.0330 3.157708  8.516479       4.504122  
1 1 1 -2  6  6  o 453.3627 2.493665  105352.7   1158.464 106039.0  2330.000 104674.0   2304.000 454.5433 5.002444  451.6120 4.978731  2.931366       7.057776  
1 1 1 -2  6  7  o 154.6716 0.9128867 12257.85   144.6858 12899.60  303.5000 11673.20   276.5000 158.6543 1.866845  150.9257 1.787861  7.728668       2.584871  
1 1 1 -2  6  8  o 406.4847 2.246078  84685.83   935.5511 82010.90  1817.200 87524.30   1928.300 399.8082 4.435603  413.0130 4.556303  -13.20477      6.358810  
1 1 1 -2  6  9  o 245.1070 1.399245  30785.21   351.4373 31229.70  719.5000 30360.80   687.0000 246.8148 2.844862  243.3615 2.754904  3.453278       3.960144  
1 1 1 -2  6  10 o 231.4975 1.306183  27461.04   309.8480 27592.70  632.5000 27334.60   607.4000 232.0046 2.660514  230.9212 2.566921  1.083344       3.696948  
1 1 1 -2  6  11 o 292.0479 1.653286  43709.03   494.7666 42905.20  978.9000 44530.50   1000.400 289.2560 3.302612  294.6830 3.312991  -5.426971      4.677943  
1 1 1 -2  6  12 o 235.3866 1.344596  28392.13   324.3186 27220.20  624.0000 29660.40   675.3000 230.4274 2.642726  240.5290 2.739876  -10.10161      3.806695  
1 1 1 -2  6  13 o 259.6170 1.708207  34542.26   454.4351 35352.10  1122.400 33991.30   763.6000 262.4683 4.173231  257.4738 2.894240  4.994568       5.078630  
1 1 1 -2  6  14 o 76.39014 0.5931066 2989.914   46.42677 3175.500  118.1000 2869.700   76.50000 78.71800 1.464123  74.83622 0.9975880 3.881783       1.771676  
1 1 1 -2  6  15 o 286.3798 1.895054  42038.07   556.1119 43919.00  1385.700 40777.20   928.9000 292.4000 4.624805  281.9366 3.215283  10.46344       5.632660  
1 1 1 -2  6  16 f 131.6255 0.9510313 8877.796   128.2724 8623.400  295.1000 9073.400   226.9000 129.6882 2.220601  133.0497 1.664264  -3.361542      2.775039  
1 1 1 -2  6  17 o 190.1010 1.294922  18520.90   252.2472 19506.70  632.0000 17866.10   419.8000 194.9550 3.163621  186.6599 2.194791  8.295120       3.850403  
1 1 1 -2  6  18 o 124.8990 0.8800845 7993.848   112.6372 8050.400  271.3000 7953.700   192.6000 125.2922 2.113135  124.5656 1.508897  0.7266006      2.596558  
1 1 1 -2  6  19 o 121.4439 0.9012427 7557.962   112.1543 7451.800  258.0000 7639.600   198.4000 120.5363 2.088832  122.0729 1.586076  -1.536629      2.622757  
1 1 1 -2  6  20 o 127.6230 0.9119717 8346.809   119.2638 8467.800  281.2000 8257.700   207.1000 128.4822 2.135866  126.9117 1.592502  1.570442       2.664205  
1 1 1 -2  6  21 o 89.16650 0.6956376 4074.083   63.55989 4236.500  155.5000 3961.800   107.5000 90.89761 1.669474  87.91779 1.193255  2.979820       2.052072  
1 1 1 -2  6  22 o 56.93742 0.4934154 1661.096   28.78783 1681.800  68.80000 1646.200   49.50000 57.28173 1.172125  56.67756 0.8523062 0.6041718      1.449242  
1 1 1 -2  6  23 o 114.0428 0.8474372 6664.991   99.03159 6571.600  230.2000 6735.500   173.8000 113.1851 1.984804  114.6186 1.479777  -1.433464      2.475719  
1 1 1 -2  6  24 o 84.93625 0.6589343 3696.719   57.35002 3661.400  132.7000 3723.600   101.0000 84.50303 1.532499  85.23190 1.156434  -0.7288666     1.919868  
1 1 1 -2  6  25 o 45.79545 0.3835763 1074.573   18.00000 1236.300  39.60000 939.8000   33.00000 49.11679 0.7868044 42.82426 0.7520135 6.292526       1.088387  
1 1 1 -2  6  26 o 124.8931 0.7932034 7993.883   101.5129 8162.400  210.0000 7836.200   196.5000 126.1503 1.624548  123.6098 1.551355  2.540504       2.246299  
1 1 1 -2  6  27 o 37.12746 0.4190365 706.3100   15.94210 753.3000  33.40000 663.4000   30.50000 38.33755 0.8502051 35.97760 0.8273119 2.359955       1.186294  
1 1 1 -2  6  28 o 41.05906 0.3896647 863.8225   16.39451 890.4000  33.40000 838.2000   32.20000 41.68038 0.7820174 40.44026 0.7770404 1.240124       1.102426  
1 1 1 -2  6  29 o 112.4728 0.7286200 6483.725   83.97440 6606.700  174.7000 6369.900   161.7000 113.4659 1.502550  111.4237 1.416231  2.042191       2.064792  
1 1 1 -2  6  30 o 28.23393 0.3905941 408.4789   11.30044 378.5000  21.20000 442.7000   24.20000 27.16231 0.7624313 29.37541 0.8047156 -2.213100      1.108544  
1 1 1 -2  6  31 f 16.49166 0.5621045 139.5578   9.485155 127.0000  17.10000 155.2000   21.30000 15.69780 1.069450  17.34875 1.205656  -1.650954      1.611623  
1 1 1 -2  6  32 o 169.9944 1.207404  14835.51   210.3224 14835.80  361.0000 14835.10   503.9000 169.6661 2.076413  169.1872 2.906554  0.4788971      3.572051  
1 1 1 -2  7  1  f 301.5061 2.742475  0.000000   0.000000 ?         ?        46601.60   847.3000 ?        ?         301.5061 2.742475  0.000000       2.742475  
1 1 1 -2  7  2  o 157.0149 0.9593408 12632.22   154.3520 13209.00  450.5000 12331.60   234.8000 160.5205 2.738834  155.1281 1.477098  5.392410       3.111757  
1 1 1 -2  7  3  o 205.3985 1.400766  21618.53   294.8229 21154.10  707.4000 21950.40   505.5000 203.1078 3.398914  206.9404 2.383843  -3.832611      4.151545  
1 1 1 -2  7  4  o 214.2308 1.242164  23517.04   272.6838 24045.50  554.0000 23004.80   537.0000 216.5862 2.496207  211.8482 2.473723  4.737946       3.514307  
1 1 1 -2  7  5  o 324.2955 1.819860  53896.48   604.7520 51479.60  1173.400 56466.80   1247.900 316.8228 3.614360  331.8093 3.670226  -14.98657      5.151132  
1 1 1 -2  7  6  o 68.91263 0.4683290 2433.176   33.07107 2255.600  60.60000 2646.500   72.80000 66.34885 0.8913347 71.86795 0.9885480 -5.519096      1.331054  
1 1 1 -2  7  7  o 183.3911 1.060346  17233.11   199.2618 16665.60  388.3000 17831.30   409.3000 180.3225 2.101451  186.5211 2.141487  -6.198608      3.000344  
1 1 1 -2  7  8  o 92.76729 0.5856770 4409.309   55.67387 4753.100  116.3000 4093.600   106.8000 96.31176 1.178425  89.38076 1.166081  6.931000       1.657839  
1 1 1 -2  7  9  o 277.7372 1.541378  39529.86   438.6736 39372.80  884.2000 39684.50   870.6000 277.0974 3.114008  278.1965 3.053997  -1.099121      4.361644  
1 1 1 -2  7  10 o 296.4089 1.650472  45025.65   501.3002 45510.50  1015.000 44552.50   990.5000 297.8862 3.325196  294.7383 3.279589  3.147888       4.670400  
1 1 1 -2  7  11 o 209.9116 1.206790  22578.94   259.5771 22535.20  526.3000 22621.50   512.2000 209.6613 2.449722  210.0658 2.379500  -0.4045868     3.415137  
1 1 1 -2  7  12 o 110.6146 0.6839229 6269.252   77.52074 6128.900  153.9000 6411.700   156.2000 109.3607 1.373342  111.8555 1.362778  -2.494789      1.934744  
1 1 1 -2  7  13 o 46.58706 0.4042472 1112.009   19.29793 1060.300  38.20000 1164.800   39.00000 45.48952 0.8195089 47.67861 0.7982568 -2.189091      1.144032  
1 1 1 -2  7  14 o 35.88095 0.3280050 659.6344   12.05988 831.7000  27.80000 527.8000   21.30000 40.28881 0.6733826 32.09496 0.6476559 8.193851       0.9342924 
1 1 1 -2  7  15 o 132.8626 1.582874  9048.200   215.5000 9048.200  215.5000 ?          ?        132.8626 1.582874  ?        ?         0.000000       1.582874  
1 1 1 -2  7  16 f 64.19276 0.4679127 2111.348   30.77862 2284.300  65.20000 1956.700   58.30000 66.76550 0.9530093 61.79314 0.9207249 4.972355       1.325127  
1 1 1 -2  7  17 o 53.19024 0.5068576 1449.635   27.62589 1523.700  63.50000 1392.600   48.90000 54.52542 1.136518  52.12977 0.9154290 2.395649       1.459344  
1 1 1 -2  7  18 o 224.4835 1.506696  25834.27   346.5840 25765.00  831.3000 25883.80   594.4000 223.8635 3.623899  224.5690 2.583037  -0.7054291     4.450250  
1 1 1 -2  7  19 o 161.1033 1.119178  13302.31   184.7575 13477.40  442.3000 13176.70   317.3000 162.0301 2.663930  160.2863 1.931858  1.743759       3.290684  
1 1 1 -2  7  20 o 202.7670 1.365455  21076.54   283.7089 20519.70  658.1000 21498.50   498.7000 199.8240 3.214000  204.6736 2.377821  -4.849625      3.997977  
1 1 1 -2  7  21 o 21.24113 0.4993136 231.1832   10.86799 226.8000  27.20000 234.1000   18.10000 20.99612 1.270187  21.35723 0.8286291 -0.3611088     1.516575  
1 1 1 -2  7  22 o 99.13702 0.7454646 5036.369   75.72884 5188.000  179.3000 4925.500   131.1000 100.5785 1.739710  98.02171 1.305215  2.556747       2.174897  
1 1 1 -2  7  23 o 115.5182 0.8295332 6838.673   98.19350 6695.800  226.4000 6948.100   173.4000 114.2456 1.933921  116.4104 1.453647  -2.164864      2.419326  
1 1 1 -2  7  24 o 120.0793 0.8681085 7389.724   106.8171 7083.200  236.5000 7642.200   194.8000 117.4938 1.964345  122.0750 1.557270  -4.581169      2.506740  
1 1 1 -2  7  25 o 117.4548 0.8445902 7070.402   101.6518 7455.500  247.5000 6802.000   172.5000 120.5246 2.004016  115.1682 1.461699  5.356354       2.480453  
1 1 1 -2  7  26 o 59.13359 0.5199731 1791.825   31.50747 1720.700  69.70000 1850.500   57.50000 57.93204 1.174128  60.08495 0.9339073 -2.152908      1.500253  
1 1 1 -2  7  27 o 163.1752 1.141845  13652.64   190.9236 13850.10  453.4000 13509.00   329.8000 164.0572 2.697043  162.1863 1.984440  1.870880       3.348439  
1 1 1 -2  7  28 o 109.6494 0.8081556 6162.910   90.80285 5429.200  194.0000 6808.500   170.7000 102.8138 1.841416  115.1896 1.446179  -12.37572      2.341419  
1 1 1 -2  7  29 o 147.4579 0.9065562 11148.80   136.9813 11270.00  277.2000 11030.40   270.8000 148.0887 1.826724  146.5116 1.803758  1.577103       2.567190  
1 1 1 -2  7  30 o 49.34785 0.4755995 1248.007   24.04961 1174.200  38.60000 1370.000   63.80000 47.85564 0.7871468 51.66734 1.205053  -3.811699      1.439359  
1 1 1 -2  7  31 f 23.03823 0.4432940 272.0100   10.46500 249.4000  16.10000 314.0000   29.90000 22.04365 0.7137018 24.70373 1.184616  -2.660080      1.382999  
1 1 1 -2  7  32 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -2  8  1  o 141.5866 1.192410  0.000000   0.000000 ?         ?        10272.30   173.0000 ?        ?         141.5866 1.192410  0.000000       1.192410  
1 1 1 -2  8  2  o 120.3960 1.196398  0.000000   0.000000 ?         ?        7427.600   147.6000 ?        ?         120.3960 1.196398  0.000000       1.196398  
1 1 1 -2  8  3  o 195.0957 1.161651  19503.70   232.2318 18633.00  607.1000 20043.10   376.1000 190.6193 3.108100  197.7563 1.855986  -7.137024      3.620078  
1 1 1 -2  8  4  o 68.64518 0.5606087 2414.355   39.43377 2295.200  91.50000 2504.600   69.30000 66.92530 1.334235  69.91434 0.9673167 -2.989037      1.647994  
1 1 1 -2  8  5  o 131.4431 0.9139324 8852.757   123.0978 8250.700  282.6000 9317.400   218.1000 126.8713 2.173754  134.8378 1.578504  -7.966476      2.686425  
1 1 1 -2  8  6  o 194.7621 1.101961  19436.99   219.9223 19296.10  441.4000 19576.90   438.3000 194.0196 2.220181  195.4275 2.188706  -1.407928      3.117633  
1 1 1 -2  8  7  o 121.7528 0.7480091 7595.411   93.32205 7441.500  187.7000 7747.600   185.6000 120.5021 1.520097  122.9564 1.473087  -2.454292      2.116762  
1 1 1 -2  8  8  o 124.9662 0.7398995 8001.653   94.74660 8126.600  194.1000 7882.500   185.1000 125.9262 1.504220  124.0215 1.456502  1.904686       2.093819  
1 1 1 -2  8  9  o 124.7163 0.7610708 7969.768   97.26282 7619.900  186.9000 8349.400   202.8000 121.9358 1.495821  127.6380 1.550564  -5.702156      2.154467  
1 1 1 -2  8  10 o 106.6533 0.6533081 5828.299   71.39874 5709.000  143.4000 5946.600   142.2000 105.5466 1.325887  107.7212 1.288249  -2.174667      1.848665  
1 1 1 -2  8  11 o 201.8949 1.147518  20888.42   237.4014 19981.50  456.7000 21870.20   494.4000 197.4072 2.257718  206.5206 2.336236  -9.113449      3.248890  
1 1 1 -2  8  12 o 60.43194 0.4412728 1871.181   27.32575 1719.500  50.90000 2047.000   59.00000 57.92817 0.8574911 63.20394 0.9109813 -5.275772      1.251071  
1 1 1 -2  8  13 o 114.5573 0.6939216 6724.417   81.45762 7101.600  172.3000 6386.200   154.5000 117.7086 1.428495  111.6247 1.350733  6.083870       1.965980  
1 1 1 -2  8  14 o 117.1004 0.7164989 7026.421   85.97499 6956.100  172.0000 7096.700   171.9000 116.4928 1.440891  117.6647 1.425710  -1.171982      2.027021  
1 1 1 -2  8  15 o 68.81680 0.4909904 2426.518   34.62309 2674.500  73.70000 2206.800   65.30000 72.24094 0.9956018 65.62151 0.9711104 6.619431       1.390783  
1 1 1 -2  8  16 o 50.46135 0.3995686 1304.682   20.66087 1230.600  39.60000 1385.500   43.20000 49.00469 0.7886043 51.99725 0.8107837 -2.992558      1.131047  
1 1 1 -2  8  17 o 78.17481 0.5295638 3131.385   42.42125 3453.300  92.30000 2857.600   78.50000 82.08413 1.097347  74.67101 1.025934  7.413116       1.502235  
1 1 1 -2  8  18 o 77.75519 0.5241459 3097.866   41.76187 3215.100  86.90000 2989.400   80.40000 79.20252 1.070736  76.37296 1.027349  2.829559       1.483887  
1 1 1 -2  8  19 o 71.79422 0.4875201 2641.066   35.86579 2623.600  70.60000 2659.100   72.90000 71.54882 0.9629502 72.03072 0.9876691 -0.4818954     1.379407  
1 1 1 -2  8  20 o 35.35355 0.3767715 640.4043   13.64927 634.2000  27.10000 646.7000   27.50000 35.17946 0.7517643 35.52443 0.7554526 -0.3449669     1.065766  
1 1 1 -2  8  21 o 184.9408 1.085087  17531.10   205.6343 18821.10  434.0000 16369.50   390.8000 191.5024 2.211653  178.6052 2.135315  12.89720       3.074245  
1 1 1 -2  8  22 o 111.3110 0.6908910 6349.221   78.80358 6655.100  164.7000 6068.600   151.1000 113.9292 1.410783  108.7963 1.355352  5.132874       1.956346  
1 1 1 -2  8  23 o 27.20690 0.4941988 379.2889   13.77778 371.4000  31.00000 385.6000   24.80000 26.89321 1.127418  27.41506 0.8839592 -0.5218468     1.432639  
1 1 1 -2  8  24 o 71.53359 0.5869527 2622.166   43.02408 2575.000  96.10000 2660.400   77.90000 70.86343 1.323436  72.03995 1.055275  -1.176514      1.692657  
1 1 1 -2  8  25 o 40.12152 0.4184046 824.8297   17.20173 781.0000  36.80000 863.3000   32.30000 39.03390 0.9200417 41.04190 0.7680274 -2.007999      1.198475  
1 1 1 -2  8  26 o 130.5427 0.9145310 8735.934   122.3346 8811.500  288.5000 8680.300   212.4000 130.9451 2.150097  130.0544 1.593790  0.8907471      2.676394  
1 1 1 -2  8  27 o 104.3633 0.7611802 5582.908   81.40171 5370.500  176.2000 5765.300   151.3000 102.2689 1.681373  105.9979 1.392975  -3.729073      2.183436  
1 1 1 -2  8  28 o 67.66978 0.5517171 2346.866   38.25689 2331.700  89.00000 2358.300   67.10000 67.40575 1.288530  67.81345 0.9656247 -0.4076920     1.610199  
1 1 1 -2  8  29 o 12.34704 0.7631873 78.46088   9.608696 80.20000  17.00000 76.20000   22.10000 12.42403 1.357387  12.03243 1.851707  0.3915987      2.295935  
1 1 1 -2  8  30 f 51.53876 0.5285587 1361.485   27.91422 1429.800  53.90000 1288.100   57.90000 52.78857 0.9964384 50.09437 1.127954  2.694206       1.505048  
1 1 1 -2  9  1  o 80.98565 0.7434962 0.000000   0.000000 ?         ?        3360.600   61.70000 ?        ?         80.98565 0.7434962 0.000000       0.7434962 
1 1 1 -2  9  2  o 237.3082 1.899900  0.000000   0.000000 ?         ?        28867.30   462.0000 ?        ?         237.3082 1.899900  0.000000       1.899900  
1 1 1 -2  9  3  o 249.3855 2.298214  0.000000   0.000000 ?         ?        31888.00   587.3000 ?        ?         249.3855 2.298214  0.000000       2.298214  
1 1 1 -2  9  4  o 257.2165 1.513315  33908.43   398.8655 33238.40  1070.900 34306.10   635.6000 254.3988 4.108047  258.6568 2.398068  -4.257950      4.756762  
1 1 1 -2  9  5  f 113.1218 0.7263994 6556.851   84.20159 6638.000  231.3000 6510.400   132.4000 113.7910 1.983670  112.7139 1.146337  1.077110       2.291077  
1 1 1 -2  9  6  f 234.5431 1.541489  28195.15   370.4772 28588.50  909.1000 27924.60   625.3000 235.9576 3.759926  233.3341 2.615242  2.623550       4.580015  
1 1 1 -2  9  7  o 110.3399 0.6761527 6238.306   76.44971 6215.700  152.6000 6261.000   153.2000 110.1273 1.352263  110.5279 1.352660  -0.4005661     1.912669  
1 1 1 -2  9  8  o 120.6856 0.7291049 7463.119   90.16621 7217.100  175.0000 7724.600   186.0000 118.6635 1.439205  122.7635 1.478582  -4.100021      2.063375  
1 1 1 -2  9  9  o 139.1122 0.8297734 9916.457   118.2832 9624.600  232.2000 10219.50   241.1000 137.0225 1.653758  141.1931 1.666423  -4.170624      2.347740  
1 1 1 -2  9  10 f 145.3165 0.8749231 10821.04   130.2816 10721.60  252.2000 10927.30   269.5000 144.6143 1.701905  145.9895 1.801518  -1.375229      2.478296  
1 1 1 -2  9  11 o 61.18781 0.4246449 1918.300   26.62498 1864.700  53.30000 1971.800   53.20000 60.32290 0.8622766 62.03138 0.8369545 -1.708473      1.201671  
1 1 1 -2  9  12 o 148.6309 0.8674391 11320.63   132.1133 10816.30  252.0000 11876.40   277.7000 145.2429 1.693196  152.1882 1.780724  -6.945297      2.457212  
1 1 1 -2  9  13 o 142.2816 0.8689703 10374.26   126.6929 10635.50  255.3000 10116.90   251.5000 144.0174 1.729966  140.4611 1.747365  3.556274       2.458875  
1 1 1 -2  9  14 o 110.6023 0.6725715 6268.346   76.22562 5994.200  145.5000 6570.000   160.1000 108.1370 1.313078  113.2088 1.380107  -5.071800      1.904959  
1 1 1 -2  9  15 o 82.68023 0.5526723 3502.768   46.82392 3433.900  93.20000 3572.300   94.10000 81.85210 1.111188  83.48560 1.099967  -1.633499      1.563543  
1 1 1 -2  9  16 o 37.97125 0.3504655 738.7455   13.63636 854.0000  30.00000 642.7000   25.00000 40.82346 0.7171550 35.41504 0.6888964 5.408421       0.9944293 
1 1 1 -2  9  17 o 10.20416 0.7860768 53.67561   8.156097 31.30000  17.60000 73.00000   15.20000 7.702102 2.148917  11.86579 1.269832  -4.163691      2.496061  
1 1 1 -2  9  18 o 168.4512 0.9977727 14543.26   172.2281 14840.60  358.0000 14267.60   331.9000 170.0725 2.054237  166.7694 1.942193  3.303085       2.827013  
1 1 1 -2  9  19 o 100.3799 0.6416511 5163.270   66.00000 5371.600  138.0000 4972.300   126.5000 102.3611 1.315667  98.48589 1.253482  3.875198       1.817195  
1 1 1 -2  9  20 o 84.34502 0.5637866 3645.349   48.72732 3667.000  94.50000 3622.300   100.6000 84.58131 1.090333  84.06145 1.167892  0.5198593      1.597748  
1 1 1 -2  9  21 o 159.5726 0.9404243 13050.99   153.7731 13187.50  313.3000 12919.40   302.0000 160.3139 1.907177  158.6821 1.857295  1.631805       2.662117  
1 1 1 -2  9  22 f 113.8464 0.7179400 6642.205   83.75404 6620.700  164.9000 6664.400   170.2000 113.6221 1.416314  113.9933 1.457075  -0.3712234     2.031997  
1 1 1 -2  9  23 o 151.9830 0.8989723 11839.81   140.0038 11892.20  283.5000 11788.70   276.6000 152.2180 1.817559  151.5595 1.781028  0.6585693      2.544717  
1 1 1 -2  9  24 o 101.9710 0.6679265 5328.965   69.79169 5264.700  136.6000 5396.100   142.7000 101.3136 1.315784  102.5666 1.357750  -1.252945      1.890707  
1 1 1 -2  9  25 o 187.5877 1.110664  18045.56   213.4938 18108.60  429.3000 17983.20   424.7000 187.6569 2.232533  187.0110 2.216240  0.6459198      3.145779  
1 1 1 -2  9  26 o 24.16296 0.3988077 299.1783   9.874431 348.6000  19.60000 249.0000   19.90000 26.06774 0.7344927 22.01994 0.8837340 4.047796       1.149115  
1 1 1 -2  9  27 f 20.35785 0.4252743 212.3831   8.871550 223.6000  18.10000 201.6000   17.40000 20.86506 0.8483345 19.80958 0.8592306 1.055485       1.207456  
1 1 1 -2  9  28 f 53.97968 0.5564097 1493.519   30.77679 1470.300  56.50000 1521.300   67.60000 53.53127 1.030013  54.43678 1.211870  -0.9055138     1.590457  
1 1 1 -2  9  29 o 46.98035 0.5356589 1131.351   25.78712 1015.000  43.90000 1297.000   62.50000 44.47653 0.9632417 50.25523 1.213669  -5.778702      1.549460  
1 1 1 -2  10 1  o 61.09872 0.6149364 0.000000   0.000000 ?         ?        1912.800   38.50000 ?        ?         61.09872 0.6149364 0.000000       0.6149364 
1 1 1 -2  10 2  o 120.3678 1.016691  0.000000   0.000000 ?         ?        7424.900   125.4000 ?        ?         120.3678 1.016691  0.000000       1.016691  
1 1 1 -2  10 3  o 193.4796 1.560583  0.000000   0.000000 ?         ?        19190.30   309.4000 ?        ?         193.4796 1.560583  0.000000       1.560583  
1 1 1 -2  10 4  o 102.3604 1.036333  0.000000   0.000000 ?         ?        5369.600   108.7000 ?        ?         102.3604 1.036333  0.000000       1.036333  
1 1 1 -2  10 5  o 100.4746 1.026645  0.000000   0.000000 ?         ?        5173.600   105.7000 ?        ?         100.4746 1.026645  0.000000       1.026645  
1 1 1 -2  10 6  o 106.4541 0.6752672 5806.892   73.66081 5696.800  190.5000 5876.300   120.1000 105.4046 1.763751  107.0783 1.094569  -1.673767      2.075788  
1 1 1 -2  10 7  o 94.31719 0.6914393 4558.324   66.82566 4179.700  145.9000 4878.300   123.3000 90.29113 1.576928  97.55788 1.233395  -7.266754      2.001990  
1 1 1 -2  10 8  o 83.13526 0.6199788 3541.485   52.81539 3690.800  137.9000 3448.800   85.60000 84.84452 1.586142  82.03271 1.018330  2.811813       1.884898  
1 1 1 -2  10 9  o 153.8766 0.9035438 12134.33   142.4689 11728.40  278.3000 12560.10   291.9000 151.2281 1.795900  156.4964 1.820252  -5.268219      2.557063  
1 1 1 -2  10 10 o 143.6072 0.8424550 10568.46   123.9713 10575.60  249.3000 10561.40   246.6000 143.6099 1.694102  143.5146 1.676867  0.9521484E-01  2.383666  
1 1 1 -2  10 11 o 53.09200 0.4142911 1444.272   22.53891 1421.000  44.10000 1468.600   46.10000 52.65854 0.8172809 53.53293 0.8403912 -0.8743896     1.172265  
1 1 1 -2  10 12 o 110.0703 0.6694043 6208.260   75.50175 6124.800  148.4000 6294.700   153.7000 109.3055 1.324931  110.8099 1.353620  -1.504364      1.894131  
1 1 1 -2  10 13 o 60.57812 0.4298317 1880.295   26.68165 1863.400  52.00000 1898.100   54.80000 60.30022 0.8415619 60.85845 0.8787418 -0.5582237     1.216722  
1 1 1 -2  10 14 o 155.0471 0.9015147 12320.07   143.2303 11757.50  275.1000 12931.10   298.8000 151.4073 1.773150  158.7781 1.836503  -7.370789      2.552804  
1 1 1 -2  10 15 o 113.6105 0.7037213 6614.230   81.92519 6304.500  157.7000 6949.100   170.5000 110.8913 1.387829  116.4200 1.429218  -5.528732      1.992168  
1 1 1 -2  10 16 o 148.2731 0.8824249 11267.14   134.0721 11072.60  266.9000 11463.50   269.4000 146.9254 1.772774  149.4977 1.758590  -2.572311      2.497071  
1 1 1 -2  10 17 o 49.03593 0.9731866 0.000000   0.000000 ?         ?        1232.400   48.90000 ?        ?         49.03593 0.9731866 0.000000       0.9731866 
1 1 1 -2  10 18 o 80.81944 0.5218772 3346.933   43.21978 3408.300  87.40000 3286.900   85.50000 81.54373 1.045978  80.07845 1.041963  1.465279       1.476400  
1 1 1 -2  10 19 o 93.82430 0.6114513 4510.972   58.78622 4551.000  115.8000 4469.700   119.4000 94.21768 1.199438  93.36990 1.247955  0.8477859      1.730909  
1 1 1 -2  10 20 o 19.20854 0.4843442 189.1835   9.525773 147.4000  16.80000 243.9000   22.00000 16.92968 0.9725084 21.79074 0.9878324 -4.861055      1.386213  
1 1 1 -2  10 21 o 84.27464 0.5533836 3639.447   47.78829 3789.800  98.30000 3497.200   93.00000 85.97559 1.115784  82.59081 1.098886  3.384773       1.566054  
1 1 1 -2  10 22 o 70.18562 0.4881854 2524.240   35.11003 2591.500  71.70000 2459.700   68.80000 71.09801 0.9841546 69.26708 0.9693111 1.830925       1.381349  
1 1 1 -2  10 23 o 98.52084 0.6317143 4974.535   63.77451 4699.300  121.2000 5280.200   134.6000 95.71671 1.235710  101.4548 1.294715  -5.738060      1.789767  
1 1 1 -2  10 24 o 52.42535 0.3966908 1408.351   21.31041 1352.500  40.40000 1470.700   45.10000 51.36557 0.7675574 53.56106 0.8217297 -2.195488      1.124448  
1 1 1 -2  10 25 o 36.72359 0.3411639 691.0562   12.83827 805.1000  28.90000 599.9000   23.10000 39.62977 0.7116688 34.21000 0.6589622 5.419769       0.9698988 
1 1 1 -2  10 26 o 29.89498 0.3446527 457.9645   10.55792 440.4000  20.30000 477.0000   22.00000 29.30965 0.6759071 30.50249 0.7038643 -1.192841      0.9758460 
1 1 1 -2  10 27 o 36.02208 0.4082143 664.9930   15.06799 656.2000  25.10000 678.2000   37.70000 35.77485 0.6846956 36.34000 1.013403  -0.5651550     1.223027  
1 1 1 -2  10 28 o 21.24586 0.4547056 231.3508   9.899265 223.3000  16.80000 242.9000   24.10000 20.85069 0.7877204 21.72462 1.086040  -0.8739319     1.341636  
1 1 1 -2  11 1  o 48.55819 0.5788041 0.000000   0.000000 ?         ?        1208.200   28.80000 ?        ?         48.55819 0.5788041 0.000000       0.5788041 
1 1 1 -2  11 2  o 128.6062 1.120780  0.000000   0.000000 ?         ?        8477.400   147.7000 ?        ?         128.6062 1.120780  0.000000       1.120780  
1 1 1 -2  11 3  o 42.16771 0.5253485 0.000000   0.000000 ?         ?        911.1000   22.70000 ?        ?         42.16771 0.5253485 0.000000       0.5253485 
1 1 1 -2  11 4  o 75.42636 0.7064332 0.000000   0.000000 ?         ?        2915.300   54.60000 ?        ?         75.42636 0.7064332 0.000000       0.7064332 
1 1 1 -2  11 5  o 94.91114 0.9644669 0.000000   0.000000 ?         ?        4616.700   93.80000 ?        ?         94.91114 0.9644669 0.000000       0.9644669 
1 1 1 -2  11 6  o 94.80587 0.9686258 0.000000   0.000000 ?         ?        4606.500   94.10000 ?        ?         94.80587 0.9686258 0.000000       0.9686258 
1 1 1 -2  11 7  o 80.37342 0.5531213 3310.070   45.55449 3397.800  130.1000 3262.800   70.10000 81.40295 1.559692  79.79180 0.8573564 1.611145       1.779803  
1 1 1 -2  11 8  o 62.05380 0.4638826 1973.044   29.49680 1971.700  81.90000 1973.800   46.10000 62.01754 1.288757  62.06245 0.7248926 -0.4490280E-01 1.478636  
1 1 1 -2  11 9  o 107.4983 0.7751566 5921.898   85.38654 5688.200  192.9000 6107.500   153.2000 105.3091 1.787591  109.1461 1.369785  -3.836998      2.252064  
1 1 1 -2  11 10 o 15.35665 0.5573324 120.9984   8.755646 170.8000  23.10000 90.60000   14.10000 18.21090 1.245386  13.25406 1.046668  4.956835       1.626807  
1 1 1 -2  11 11 o 82.93356 0.6074171 3524.409   51.61973 3667.300  130.5000 3430.900   85.40000 84.56940 1.505910  81.81622 1.018639  2.753181       1.818073  
1 1 1 -2  11 12 o 101.1135 0.6166895 5238.991   63.89609 5104.800  126.8000 5375.300   128.8000 99.78902 1.240047  102.3994 1.227497  -2.610336      1.744839  
1 1 1 -2  11 13 o 96.72989 0.6167981 4794.599   61.13671 4869.800  127.1000 4724.900   117.8000 97.46268 1.272650  96.00511 1.197437  1.457565       1.747424  
1 1 1 -2  11 14 o 68.07014 0.4619538 2374.205   32.22208 2482.200  69.20000 2280.100   60.30000 69.59108 0.9704074 66.70005 0.8822523 2.891029       1.311510  
1 1 1 -2  11 15 o 48.81568 0.4281463 1221.012   21.41657 1264.100  43.70000 1179.600   42.00000 49.66387 0.8587020 47.97532 0.8543445 1.688549       1.211311  
1 1 1 -2  11 16 o 71.33319 0.4893887 2607.343   35.77206 2427.900  69.60000 2797.100   73.60000 68.82348 0.9869024 73.87168 0.9723026 -5.048203      1.385406  
1 1 1 -2  11 17 o 51.47491 0.4085026 1357.674   21.54710 1253.200  42.60000 1464.600   43.60000 49.44816 0.8407387 53.45734 0.7959409 -4.009174      1.157741  
1 1 1 -2  11 18 o 93.38958 0.5917217 4469.393   56.62579 4720.600  121.7000 4250.800   105.9000 95.94720 1.237827  91.05379 1.135010  4.893402       1.679423  
1 1 1 -2  11 19 f 50.43730 0.3923098 1303.504   20.27586 1342.400  42.00000 1267.200   39.20000 51.17679 0.8008993 49.72343 0.7693546 1.453358       1.110561  
1 1 1 -2  11 20 o 102.8119 0.6432312 5417.258   67.76550 5182.300  127.3000 5684.700   144.9000 100.5187 1.235900  105.2683 1.343298  -4.749611      1.825348  
1 1 1 -2  11 21 o 105.9633 0.6612790 5754.803   71.80237 5748.900  146.2000 5760.500   141.1000 105.8511 1.347888  105.9632 1.299492  -0.1121216     1.872293  
1 1 1 -2  11 22 o 44.69597 0.3745298 1023.674   17.15351 1176.200  39.20000 905.0000   30.50000 47.89913 0.7986566 42.01833 0.7083741 5.880802       1.067542  
1 1 1 -2  11 23 o 70.71540 0.4833247 2562.779   35.02284 2610.400  70.60000 2515.900   69.50000 71.34118 0.9657529 70.03776 0.9683987 1.303421       1.367653  
1 1 1 -2  11 24 o 29.66010 0.4203847 450.8333   12.77667 489.8000  22.20000 398.0000   30.10000 30.90885 0.7009254 27.83055 1.057394  3.078297       1.268613  
1 1 1 -2  11 25 f 35.08645 0.3724768 630.8726   13.39174 624.8000  22.40000 639.9000   33.30000 34.91024 0.6261765 35.30498 0.9212577 -0.3947411     1.113918  
1 1 1 -2  11 26 o 32.36050 0.4039532 536.6901   13.39506 531.6000  21.70000 544.9000   35.00000 32.19905 0.6576856 32.56333 1.050290  -0.3642769     1.239217  
1 1 1 -2  12 1  o 3.082732 1.393532  0.000000   0.000000 ?         ?        -5.300000  9.400000 ?        ?         3.082732 1.393532  0.000000       1.393532  
1 1 1 -2  12 2  o 53.35846 0.5578252 0.000000   0.000000 ?         ?        1458.900   30.50000 ?        ?         53.35846 0.5578252 0.000000       0.5578252 
1 1 1 -2  12 3  o 101.9730 0.8986325 0.000000   0.000000 ?         ?        5329.300   93.90000 ?        ?         101.9730 0.8986325 0.000000       0.8986325 
1 1 1 -2  12 4  f 68.16919 0.6513657 0.000000   0.000000 ?         ?        2381.300   45.50000 ?        ?         68.16919 0.6513657 0.000000       0.6513657 
1 1 1 -2  12 5  o 93.61195 0.8235641 0.000000   0.000000 ?         ?        4491.000   79.00000 ?        ?         93.61195 0.8235641 0.000000       0.8235641 
1 1 1 -2  12 6  o 28.52340 0.6021615 0.000000   0.000000 ?         ?        416.9000   17.60000 ?        ?         28.52340 0.6021615 0.000000       0.6021615 
1 1 1 -2  12 7  o 94.64534 0.9692376 0.000000   0.000000 ?         ?        4591.200   94.00000 ?        ?         94.64534 0.9692376 0.000000       0.9692376 
1 1 1 -2  12 8  o 33.78820 0.5747642 0.000000   0.000000 ?         ?        585.0000   19.90000 ?        ?         33.78820 0.5747642 0.000000       0.5747642 
1 1 1 -2  12 9  o 64.47163 0.4530378 2129.817   29.92964 1959.500  77.40000 2237.200   48.80000 61.82380 1.221763  66.07269 0.7207746 -4.248898      1.418528  
1 1 1 -2  12 10 o 54.09752 0.4169305 1499.529   23.11209 1477.600  61.30000 1512.800   37.10000 53.68844 1.114246  54.33329 0.6663609 -0.6448479     1.298300  
1 1 1 -2  12 11 o 30.75513 1.329497  485.9000   41.80000 485.9000  41.80000 ?          ?        30.75513 1.329497  ?        ?         0.000000       1.329497  
1 1 1 -2  12 12 o 91.88521 0.6688514 4326.629   62.97578 4399.700  157.8000 4278.100   104.8000 92.60809 1.662875  91.35136 1.119561  1.256729       2.004637  
1 1 1 -2  12 13 o 77.90054 0.5907783 3109.745   47.15887 3414.600  128.5000 2933.000   74.50000 81.58878 1.537002  75.64356 0.9611384 5.945213       1.812777  
1 1 1 -2  12 14 o 113.0364 0.6865435 6548.111   79.52154 6569.300  160.1000 6527.200   158.0000 113.1751 1.380518  112.8130 1.366783  0.3620682      1.942659  
1 1 1 -2  12 15 o 71.62488 0.4812927 2628.784   35.32413 2581.200  71.00000 2675.900   70.30000 70.95870 0.9764597 72.24974 0.9495561 -1.291039      1.362032  
1 1 1 -2  12 16 o 21.16465 0.7759533 0.000000   0.000000 ?         ?        229.9000   16.80000 ?        ?         21.16465 0.7759533 0.000000       0.7759533 
1 1 1 -2  12 17 o 146.4764 0.8656651 10998.59   129.9319 11452.80  271.6000 10582.00   249.1000 149.3420 1.774799  143.5668 1.693251  5.775223       2.452960  
1 1 1 -2  12 18 o 114.9188 0.6917645 6768.877   81.46060 6886.600  168.5000 6658.700   157.7000 115.8426 1.419493  113.9183 1.350951  1.924286       1.959599  
1 1 1 -2  12 19 o 21.85921 0.3995551 244.8503   8.949720 190.8000  18.00000 298.3000   17.80000 19.26869 0.9142444 24.11268 0.7212148 -4.843983      1.164471  
1 1 1 -2  12 20 o 2.428588 1.150129  -9.218688  7.624262 -11.10000 15.10000 -7.300000  15.40000 3.759077 1.724876  4.020310 1.803371  -0.2612336     2.495465  
1 1 1 -2  12 21 o 63.60456 0.4563512 2073.287   29.74307 1990.200  57.60000 2162.000   61.50000 62.29315 0.9023682 64.92452 0.9244171 -2.631371      1.291826  
1 1 1 -2  12 22 o 49.67162 0.3701262 1264.365   18.83894 1285.500  39.40000 1245.000   36.10000 50.06839 0.7679523 49.27622 0.7149430 0.7921753      1.049235  
1 1 1 -2  12 23 o 58.89192 0.4302224 1777.520   25.96254 1725.500  49.50000 1834.900   54.60000 57.99903 0.8328870 59.80439 0.8909661 -1.805355      1.219640  
1 1 1 -2  12 24 o 39.05336 0.6846898 782.1000   27.40000 782.1000  27.40000 ?          ?        39.05336 0.6846898 ?        ?         0.000000       0.6846898 
1 1 1 -2  13 1  o 132.0614 1.095151  0.000000   0.000000 ?         ?        8940.600   148.2000 ?        ?         132.0614 1.095151  0.000000       1.095151  
1 1 1 -2  13 2  o 61.34278 0.6204443 0.000000   0.000000 ?         ?        1928.300   39.00000 ?        ?         61.34278 0.6204443 0.000000       0.6204443 
1 1 1 -2  13 3  o 62.41503 0.6160397 0.000000   0.000000 ?         ?        1996.300   39.40000 ?        ?         62.41503 0.6160397 0.000000       0.6160397 
1 1 1 -2  13 4  o 98.41860 0.8517607 0.000000   0.000000 ?         ?        4964.500   85.90000 ?        ?         98.41860 0.8517607 0.000000       0.8517607 
1 1 1 -2  13 5  o 79.08377 0.7231225 0.000000   0.000000 ?         ?        3205.200   58.60000 ?        ?         79.08377 0.7231225 0.000000       0.7231225 
1 1 1 -2  13 6  o 44.83149 0.5224319 0.000000   0.000000 ?         ?        1029.900   24.00000 ?        ?         44.83149 0.5224319 0.000000       0.5224319 
1 1 1 -2  13 7  o 92.29865 0.8225947 0.000000   0.000000 ?         ?        4366.300   77.80000 ?        ?         92.29865 0.8225947 0.000000       0.8225947 
1 1 1 -2  13 8  o 109.2732 1.076155  0.000000   0.000000 ?         ?        6121.700   120.5000 ?        ?         109.2732 1.076155  0.000000       1.076155  
1 1 1 -2  13 9  o 56.26004 0.6574168 0.000000   0.000000 ?         ?        1622.100   37.90000 ?        ?         56.26004 0.6574168 0.000000       0.6574168 
1 1 1 -2  13 10 o 43.66803 0.5788124 0.000000   0.000000 ?         ?        977.2000   25.90000 ?        ?         43.66803 0.5788124 0.000000       0.5788124 
1 1 1 -2  13 11 o 80.00823 0.5204721 3280.291   42.67077 3229.200  116.3000 3309.900   67.40000 79.33802 1.430540  80.35833 0.8185226 -1.020309      1.648158  
1 1 1 -2  13 12 o 119.5386 0.7213484 7323.840   88.35915 7535.100  250.2000 7208.500   136.6000 121.1040 2.016186  118.5635 1.124350  2.540497       2.308499  
1 1 1 -2  13 13 o 85.93015 0.6046454 3784.235   53.24081 3945.900  135.5000 3679.600   87.70000 87.68394 1.508068  84.71309 1.010301  2.970848       1.815207  
1 1 1 -2  13 14 o 60.57142 0.4911966 1880.135   30.48748 1808.900  73.10000 1931.100   52.30000 59.38391 1.201296  61.37568 0.8315857 -1.991768      1.461043  
1 1 1 -2  13 15 o 49.35698 0.4219113 1248.345   21.33871 1179.700  49.00000 1301.300   37.80000 47.96326 0.9969858 50.38491 0.7321380 -2.421646      1.236934  
1 1 1 -2  13 16 o 81.04550 0.5870080 3366.480   48.74963 3522.600  123.6000 3264.800   80.50000 82.82982 1.456241  79.78722 0.9846098 3.042595       1.757867  
1 1 1 -2  13 17 o 49.06227 0.4477486 1233.569   22.51025 1279.700  54.20000 1200.800   38.50000 49.94494 1.059033  48.39511 0.7763559 1.549828       1.313118  
1 1 1 -2  13 18 o 45.16712 0.3693765 1045.422   17.09582 1138.300  38.90000 972.6000   30.50000 47.11482 0.8057377 43.55606 0.6833652 3.558754       1.056504  
1 1 1 -2  13 19 o 20.19254 0.3936467 208.9543   8.145092 187.9000  16.70000 229.0000   15.90000 19.12097 0.8544894 21.12004 0.7358140 -1.999063      1.127641  
1 1 1 -2  13 20 o 43.76176 0.4324737 981.5136   19.39335 1103.200  35.60000 835.9000   42.60000 46.38050 0.7490593 40.34212 1.031356  6.038376       1.274671  
1 1 1 -2  13 21 o 46.30651 0.4210186 1099.000   19.97753 1217.200  38.10000 968.7000   42.00000 48.71453 0.7632521 43.44568 0.9434183 5.268852       1.213504  
1 1 1 -2  14 1  o 106.0452 0.9101369 0.000000   0.000000 ?         ?        5765.100   98.90000 ?        ?         106.0452 0.9101369 0.000000       0.9101369 
1 1 1 -2  14 2  o 80.76938 0.7297797 0.000000   0.000000 ?         ?        3343.700   60.40000 ?        ?         80.76938 0.7297797 0.000000       0.7297797 
1 1 1 -2  14 3  o 55.45833 0.5894943 0.000000   0.000000 ?         ?        1576.200   33.50000 ?        ?         55.45833 0.5894943 0.000000       0.5894943 
1 1 1 -2  14 4  o 76.46214 0.6904821 0.000000   0.000000 ?         ?        2996.500   54.10000 ?        ?         76.46214 0.6904821 0.000000       0.6904821 
1 1 1 -2  14 5  o 75.28432 0.6831369 0.000000   0.000000 ?         ?        2904.900   52.70000 ?        ?         75.28432 0.6831369 0.000000       0.6831369 
1 1 1 -2  14 6  o 32.90944 0.4952194 0.000000   0.000000 ?         ?        555.0000   16.70000 ?        ?         32.90944 0.4952194 0.000000       0.4952194 
1 1 1 -2  14 7  o 59.73812 0.5783002 0.000000   0.000000 ?         ?        1828.900   35.40000 ?        ?         59.73812 0.5783002 0.000000       0.5783002 
1 1 1 -2  14 8  f 66.59470 0.6403883 0.000000   0.000000 ?         ?        2273.000   43.70000 ?        ?         66.59470 0.6403883 0.000000       0.6403883 
1 1 1 -2  14 9  o 11.61942 0.8628357 0.000000   0.000000 ?         ?        69.60000   10.20000 ?        ?         11.61942 0.8628357 0.000000       0.8628357 
1 1 1 -2  14 10 o 33.83165 0.5538342 0.000000   0.000000 ?         ?        586.6000   19.20000 ?        ?         33.83165 0.5538342 0.000000       0.5538342 
1 1 1 -2  14 11 o 27.64141 0.5860700 0.000000   0.000000 ?         ?        391.6000   16.60000 ?        ?         27.64141 0.5860700 0.000000       0.5860700 
1 1 1 -2  14 12 o 57.67786 0.6632519 0.000000   0.000000 ?         ?        1705.300   39.20000 ?        ?         57.67786 0.6632519 0.000000       0.6632519 
1 1 1 -2  14 13 o 107.3411 0.6694133 5906.685   73.63071 5612.100  195.0000 6085.400   118.3000 104.4432 1.822032  108.9070 1.060060  -4.463806      2.107967  
1 1 1 -2  14 14 o 32.09908 0.3392203 527.9868   11.15765 502.6000  29.90000 543.1000   17.80000 31.28757 0.9336565 32.55141 0.5336441 -1.263840      1.075402  
1 1 1 -2  14 15 o 64.60435 0.4493299 2139.073   29.74579 1950.400  75.70000 2261.200   49.00000 61.63140 1.198658  66.40695 0.7200857 -4.775551      1.398322  
1 1 1 -2  14 16 o 28.24027 0.3884870 408.7120   11.24200 404.4000  23.10000 412.8000   21.90000 28.06761 0.8039998 28.36107 0.7542385 -0.2934666     1.102403  
1 1 1 -2  14 17 o 22.64742 0.5038021 262.9122   11.69168 257.8000  22.20000 268.6000   24.70000 22.39100 0.9698672 22.84842 1.057846  -0.4574203     1.435159  
1 1 1 -2  14 18 o 39.35587 0.4567756 793.9075   18.42090 810.9000  36.30000 776.4000   37.40000 39.75138 0.8911608 38.89318 0.9384255 0.8581963      1.294145  
1 1 1 -2  15 1  o 25.45021 0.5943496 0.000000   0.000000 ?         ?        332.0000   15.50000 ?        ?         25.45021 0.5943496 0.000000       0.5943496 
1 1 1 -2  15 2  f 76.46330 0.8027849 0.000000   0.000000 ?         ?        2997.900   62.90000 ?        ?         76.46330 0.8027849 0.000000       0.8027849 
1 1 1 -2  15 3  o 34.70325 0.4668095 0.000000   0.000000 ?         ?        617.2000   16.60000 ?        ?         34.70325 0.4668095 0.000000       0.4668095 
1 1 1 -2  15 4  o 13.33405 0.8981322 0.000000   0.000000 ?         ?        91.60000   12.20000 ?        ?         13.33405 0.8981322 0.000000       0.8981322 
1 1 1 -2  15 5  o 47.94255 0.5475613 0.000000   0.000000 ?         ?        1178.100   26.90000 ?        ?         47.94255 0.5475613 0.000000       0.5475613 
1 1 1 -2  15 6  o 48.95782 0.5222529 0.000000   0.000000 ?         ?        1228.500   26.20000 ?        ?         48.95782 0.5222529 0.000000       0.5222529 
1 1 1 -2  15 7  o 76.42274 0.6895611 0.000000   0.000000 ?         ?        2994.400   54.00000 ?        ?         76.42274 0.6895611 0.000000       0.6895611 
1 1 1 -2  15 8  o 44.18209 0.4881437 0.000000   0.000000 ?         ?        1000.500   22.10000 ?        ?         44.18209 0.4881437 0.000000       0.4881437 
1 1 1 -2  15 9  o 71.16305 0.7556117 0.000000   0.000000 ?         ?        2597.000   55.10000 ?        ?         71.16305 0.7556117 0.000000       0.7556117 
1 1 1 -2  15 10 o 55.37020 0.7754936 0.000000   0.000000 ?         ?        1572.400   44.00000 ?        ?         55.37020 0.7754936 0.000000       0.7754936 
1 1 1 -2  15 11 o 48.84755 0.5953538 0.000000   0.000000 ?         ?        1223.300   29.80000 ?        ?         48.84755 0.5953538 0.000000       0.5953538 
1 1 1 -2  15 12 o 50.76226 0.7055483 0.000000   0.000000 ?         ?        1321.500   36.70000 ?        ?         50.76226 0.7055483 0.000000       0.7055483 
1 1 1 -2  15 13 o 40.67183 0.6646420 0.000000   0.000000 ?         ?        848.3000   27.70000 ?        ?         40.67183 0.6646420 0.000000       0.6646420 
1 1 1 -2  15 14 o 55.10489 0.7756853 0.000000   0.000000 ?         ?        1557.800   43.80000 ?        ?         55.10489 0.7756853 0.000000       0.7756853 
1 1 1 -2  16 1  o 15.69818 0.9745949 0.000000   0.000000 ?         ?        127.0000   15.60000 ?        ?         15.69818 0.9745949 0.000000       0.9745949 
1 1 1 -2  16 2  o 21.07244 0.7700621 0.000000   0.000000 ?         ?        228.1000   16.60000 ?        ?         21.07244 0.7700621 0.000000       0.7700621 
1 1 1 -2  16 3  o 34.71368 0.6690798 0.000000   0.000000 ?         ?        618.0000   23.80000 ?        ?         34.71368 0.6690798 0.000000       0.6690798 
1 1 1 -2  16 4  o 60.78494 1.168791  0.000000   0.000000 ?         ?        1898.700   72.80000 ?        ?         60.78494 1.168791  0.000000       1.168791  
1 1 1 -2  16 5  o 44.14597 0.9240315 0.000000   0.000000 ?         ?        1000.400   41.80000 ?        ?         44.14597 0.9240315 0.000000       0.9240315 
1 1 1 -2  16 6  o 39.07127 0.9691160 0.000000   0.000000 ?         ?        783.8000   38.80000 ?        ?         39.07127 0.9691160 0.000000       0.9691160 
1 1 1 -2  16 7  o 16.61735 1.050726  0.000000   0.000000 ?         ?        142.4000   17.80000 ?        ?         16.61735 1.050726  0.000000       1.050726  
1 1 1 -2  16 8  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -1  0  1  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -1  0  2  o 119.7187 1.389444  7346.800   170.4000 7346.800  170.4000 7346.800   170.4000 119.7187 1.389444  119.7187 1.389444  0.000000       0.000000  
1 1 1 -1  0  3  o 85.03636 1.034348  3706.700   90.10000 3706.700  90.10000 3706.700   90.10000 85.03636 1.034348  85.03636 1.034348  0.000000       0.000000  
1 1 1 -1  0  4  o 158.7644 1.891973  12921.60   307.7000 12921.60  307.7000 12921.60   307.7000 158.7644 1.891973  158.7644 1.891973  0.000000       0.000000  
1 1 1 -1  0  5  o 262.5561 2.972138  35344.30   799.4000 35344.30  799.4000 35344.30   799.4000 262.5561 2.972138  262.5561 2.972138  0.000000       0.000000  
1 1 1 -1  0  6  f 169.1554 1.977137  14668.30   342.6000 14668.30  342.6000 14668.30   342.6000 169.1554 1.977137  169.1554 1.977137  0.000000       0.000000  
1 1 1 -1  0  7  o 267.9958 3.012696  36825.60   827.1000 36825.60  827.1000 36825.60   827.1000 267.9958 3.012696  267.9958 3.012696  0.000000       0.000000  
1 1 1 -1  0  8  o 213.9789 2.432469  23474.90   533.2000 23474.90  533.2000 23474.90   533.2000 213.9789 2.432469  213.9789 2.432469  0.000000       0.000000  
1 1 1 -1  0  9  o 171.6504 2.012098  15105.90   353.8000 15105.90  353.8000 15105.90   353.8000 171.6504 2.012098  171.6504 2.012098  0.000000       0.000000  
1 1 1 -1  0  10 o 308.8837 4.993870  49011.10   1579.700 49011.10  1579.700 49011.10   1579.700 308.8837 4.993870  308.8837 4.993870  0.000000       0.000000  
1 1 1 -1  0  11 o 345.3274 5.502242  61272.20   1945.900 61272.20  1945.900 61272.20   1945.900 345.3274 5.502242  345.3274 5.502242  0.000000       0.000000  
1 1 1 -1  0  12 o 466.0938 7.384706  111710.0   3525.000 111710.0  3525.000 111710.0   3525.000 466.0938 7.384706  466.0938 7.384706  0.000000       0.000000  
1 1 1 -1  0  13 o 293.8164 4.994039  44311.90   1502.600 44311.90  1502.600 44311.90   1502.600 293.8164 4.994039  293.8164 4.994039  -0.000000      0.000000  
1 1 1 -1  0  14 o 378.5538 6.044894  73565.20   2343.500 73565.20  2343.500 73565.20   2343.500 378.5538 6.044894  378.5538 6.044894  0.000000       0.000000  
1 1 1 -1  0  15 o 201.0112 3.397715  20727.30   699.4000 20727.30  699.4000 20727.30   699.4000 201.0112 3.397715  201.0112 3.397715  0.000000       0.000000  
1 1 1 -1  0  16 o 22.32051 1.179307  257.4000   26.80000 257.4000  26.80000 257.4000   26.80000 22.32051 1.179307  22.32051 1.179307  -0.000000      0.000000  
1 1 1 -1  0  17 f 42.62024 1.340210  933.5000   58.40000 933.5000  58.40000 933.5000   58.40000 42.62024 1.340210  42.62024 1.340210  0.000000       0.000000  
1 1 1 -1  0  18 o 207.0686 3.562022  21999.50   755.3000 21999.50  755.3000 21999.50   755.3000 207.0686 3.562022  207.0686 3.562022  0.000000       0.000000  
1 1 1 -1  0  19 o 188.9644 3.236617  18320.40   626.3000 18320.40  626.3000 18320.40   626.3000 188.9644 3.236617  188.9644 3.236617  -0.000000      0.000000  
1 1 1 -1  0  20 o 65.43430 1.524595  2197.600   102.1000 2197.600  102.1000 2197.600   102.1000 65.43430 1.524595  65.43430 1.524595  0.000000       0.000000  
1 1 1 -1  0  21 o 18.16943 0.9020634 170.4000   16.70000 170.4000  16.70000 170.4000   16.70000 18.16943 0.9020634 18.16943 0.9020634 0.000000       0.000000  
1 1 1 -1  0  22 o 158.9222 2.022253  12951.60   329.2000 12951.60  329.2000 12951.60   329.2000 158.9222 2.022253  158.9222 2.022253  0.000000       0.000000  
1 1 1 -1  0  23 o 87.52049 1.219276  3927.500   109.3000 3927.500  109.3000 3927.500   109.3000 87.52049 1.219276  87.52049 1.219276  0.000000       0.000000  
1 1 1 -1  0  24 o 263.0979 3.011674  35519.50   811.7000 35519.50  811.7000 35519.50   811.7000 263.0979 3.011674  263.0979 3.011674  0.000000       0.000000  
1 1 1 -1  0  25 o 28.22463 0.8105878 409.2000   23.40000 409.2000  23.40000 409.2000   23.40000 28.22463 0.8105878 28.22463 0.8105878 0.000000       0.000000  
1 1 1 -1  0  26 o 3.088178 2.022516  -2.400000  15.90000 -2.400000 15.90000 -2.400000  15.90000 3.088178 2.022516  3.088178 2.022516  -0.000000      0.000000  
1 1 1 -1  0  27 o 16.22930 1.031920  136.6000   17.00000 136.6000  17.00000 136.6000   17.00000 16.22930 1.031920  16.22930 1.031920  0.000000       0.000000  
1 1 1 -1  0  28 o 100.3435 1.350452  5163.200   138.8000 5163.200  138.8000 5163.200   138.8000 100.3435 1.350452  100.3435 1.350452  0.000000       0.000000  
1 1 1 -1  0  29 o 150.0652 1.911314  11552.20   293.8000 11552.20  293.8000 11552.20   293.8000 150.0652 1.911314  150.0652 1.911314  0.000000       0.000000  
1 1 1 -1  0  30 o 82.45848 1.198267  3487.100   101.2000 3487.100  101.2000 3487.100   101.2000 82.45848 1.198267  82.45848 1.198267  0.000000       0.000000  
1 1 1 -1  0  31 o 14.64086 1.066430  111.6000   15.80000 111.6000  15.80000 111.6000   15.80000 14.64086 1.066430  14.64086 1.066430  0.000000       0.000000  
1 1 1 -1  0  32 o 14.00160 1.228494  102.8000   17.30000 102.8000  17.30000 102.8000   17.30000 14.00160 1.228494  14.00160 1.228494  0.000000       0.000000  
1 1 1 -1  0  33 o 37.81596 0.7982187 733.9000   30.90000 733.9000  30.90000 733.9000   30.90000 37.81596 0.7982187 37.81596 0.7982187 0.000000       0.000000  
1 1 1 -1  0  34 o 37.09907 0.7213727 706.2000   27.40000 706.2000  27.40000 706.2000   27.40000 37.09907 0.7213727 37.09907 0.7213727 0.000000       0.000000  
1 1 1 -1  1  1  o 158.3187 1.022849  12842.99   165.9365 13698.10  425.3000 12295.90   272.1000 163.4720 2.538948  154.8992 1.714277  8.572769       3.063495  
1 1 1 -1  1  2  o 187.5930 1.040601  18031.68   200.0320 17513.00  388.8000 18581.30   412.0000 184.8540 2.052574  190.4070 2.111621  -5.552917      2.944827  
1 1 1 -1  1  3  o 203.7654 1.148787  21275.09   239.8658 21830.10  493.4000 20750.00   466.8000 206.3750 2.333156  201.2071 2.264066  5.167892       3.251094  
1 1 1 -1  1  4  o 62.64933 0.3978218 2010.974   25.53897 1937.400  48.70000 2092.100   53.70000 61.49163 0.7728845 63.89933 0.8201241 -2.407707      1.126922  
1 1 1 -1  1  5  o 130.5059 0.7693853 8726.646   102.8898 8252.000  196.4000 9248.900   216.1000 126.8993 1.510372  134.3451 1.569765  -7.445778      2.178391  
1 1 1 -1  1  6  o 94.84921 0.7016328 4609.480   68.19334 4419.800  154.3000 4759.700   122.2000 92.86967 1.621413  96.37856 1.237350  -3.508888      2.039611  
1 1 1 -1  1  7  o 214.7085 1.438286  23623.50   316.4412 24108.90  772.1000 23286.40   536.2000 216.8100 3.475329  213.1349 2.455127  3.675079       4.255063  
1 1 1 -1  1  8  o 274.5097 1.811860  38621.80   509.6602 37948.50  1204.300 39115.80   883.6000 271.8879 4.322614  276.1665 3.122384  -4.278564      5.332380  
1 1 1 -1  1  9  o 422.3448 2.734558  91483.27   1183.457 91899.50  2854.500 91188.50   2021.600 422.2777 6.596804  421.2527 4.683324  1.024994       8.090200  
1 1 1 -1  1  10 o 16.88265 0.3500867 146.0352   6.056400 160.5000  14.70000 135.9000   10.30000 17.67961 0.8136022 16.27419 0.6187727 1.405416       1.022168  
1 1 1 -1  1  11 o 36.70357 0.4160491 690.2318   15.64773 731.1000  40.50000 664.5000   25.50000 37.75772 1.047782  36.01220 0.6910224 1.745522       1.255133  
1 1 1 -1  1  12 o 266.3862 1.784714  36368.92   487.1681 35532.70  1141.100 36991.90   850.1000 263.1120 4.232379  268.5726 3.088943  -5.460571      5.239715  
1 1 1 -1  1  13 o 221.9154 1.545286  25236.05   351.3942 24990.60  835.8000 25414.10   606.3000 220.7398 3.695075  222.6577 2.657367  -1.917831      4.551394  
1 1 1 -1  1  14 o 101.6774 0.9441588 5297.153   98.37122 5552.000  208.3000 5069.100   186.4000 104.0848 1.953007  99.45679 1.828997  4.627983       2.675718  
1 1 1 -1  1  15 o 65.28481 0.6915916 2183.767   46.26581 2477.300  103.6000 1946.900   83.60000 69.53046 1.454073  61.64002 1.323565  7.890434       1.966253  
1 1 1 -1  1  16 o 214.8961 1.784795  23665.88   393.0205 23581.10  788.7000 23750.10   783.4000 214.4379 3.589318  215.2069 3.552458  -0.7690277     5.050065  
1 1 1 -1  1  17 o 270.9289 2.228204  37622.06   618.5981 37447.20  1239.400 37796.30   1235.000 270.1440 4.477317  271.4036 4.440716  -1.259644      6.306055  
1 1 1 -1  1  18 o 96.28156 0.7739765 4749.816   76.36060 5126.200  138.3000 4285.800   170.5000 100.0184 1.349410  91.44720 1.819515  8.571198       2.265290  
1 1 1 -1  1  19 o 62.13303 0.5728627 1978.008   36.47300 1788.400  58.20000 2296.300   97.70000 59.07826 0.9613841 66.93993 1.424331  -7.861668      1.718423  
1 1 1 -1  1  20 o 77.04615 0.6505302 3041.543   51.35903 3107.800  91.00000 2955.700   117.9000 77.87642 1.140347  75.94196 1.515073  1.934464       1.896270  
1 1 1 -1  1  21 o 126.1418 0.9447649 8153.586   122.1184 8544.000  219.6000 7664.500   275.1000 129.1071 1.659908  122.2613 2.195853  6.845749       2.752646  
1 1 1 -1  1  22 o 142.9969 1.044521  10478.94   153.0531 10222.30  256.0000 10860.50   380.6000 141.2058 1.769249  145.4972 2.552794  -4.291351      3.105962  
1 1 1 -1  1  23 o 183.2904 1.314207  17219.71   246.8322 17299.20  423.6000 17108.70   591.5000 183.6402 2.251075  182.5195 3.162621  1.120712       3.881947  
1 1 1 -1  1  24 o 27.43517 1.115694  0.000000   0.000000 ?         ?        386.4000   31.30000 ?        ?         27.43517 1.115694  0.000000       1.115694  
1 1 1 -1  1  25 o 141.9093 0.8931198 10320.10   129.8730 9817.500  245.3000 10885.60   276.0000 138.3695 1.730051  145.6938 1.848714  -7.324310      2.531960  
1 1 1 -1  1  26 o 78.50677 0.5625789 3158.073   45.25733 3374.900  94.80000 2960.000   86.60000 81.14564 1.140105  75.99492 1.112077  5.150719       1.592656  
1 1 1 -1  1  27 o 41.54666 0.4256994 884.4332   18.12331 870.5000  36.60000 898.1000   35.90000 41.21446 0.8666288 41.86306 0.8368837 -0.6486015     1.204749  
1 1 1 -1  1  28 o 52.26763 0.4765882 1399.808   25.52551 1308.700  48.90000 1499.300   53.40000 50.53220 0.9443702 54.08661 0.9635032 -3.554401      1.349138  
1 1 1 -1  1  29 o 60.64644 0.4950978 1884.619   30.76767 1880.100  62.50000 1889.000   60.60000 60.56393 1.007088  60.70794 0.9741565 -0.1440086     1.401145  
1 1 1 -1  1  30 o 67.32424 0.5535572 2322.614   38.18848 2220.500  71.10000 2441.100   82.50000 65.81458 1.054263  69.00216 1.166790  -3.187584      1.572537  
1 1 1 -1  1  31 o 36.54076 0.4143304 684.1782   15.51396 597.0000  29.20000 783.0000   33.10000 34.12798 0.8349759 39.08464 0.8264632 -4.956661      1.174830  
1 1 1 -1  1  32 o 83.47242 0.5964224 3570.878   51.01469 3663.000  100.6000 3476.100   103.5000 84.50951 1.161700  82.32029 1.226973  2.189224       1.689678  
1 1 1 -1  1  33 o 57.03370 0.4588211 1666.958   26.81472 1768.100  54.70000 1569.700   52.60000 58.72002 0.9090813 55.32654 0.9277989 3.393482       1.298938  
1 1 1 -1  1  34 o 39.64526 0.4730105 805.5159   19.21589 790.3000  32.70000 827.2000   46.60000 39.25816 0.8128669 40.13235 1.134302  -0.8741951     1.395491  
1 1 1 -1  2  1  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -1  2  2  f 133.4560 1.520992  0.000000   0.000000 ?         ?        9126.800   208.0000 ?        ?         133.4560 1.520992  0.000000       1.520992  
1 1 1 -1  2  3  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -1  2  4  o 306.9121 3.378761  0.000000   0.000000 ?         ?        48301.50   1062.600 ?        ?         306.9121 3.378761  0.000000       3.378761  
1 1 1 -1  2  5  o 272.6035 3.034319  0.000000   0.000000 ?         ?        38101.80   847.6000 ?        ?         272.6035 3.034319  0.000000       3.034319  
1 1 1 -1  2  6  o 284.1217 1.874126  41372.43   545.6343 40121.80  1308.100 42267.40   936.1000 279.5819 4.565975  287.0951 3.181985  -7.513153      5.565353  
1 1 1 -1  2  7  o 337.3023 2.207089  58321.20   762.8473 55720.20  1768.000 60295.20   1341.800 329.3098 5.239372  342.7904 3.819977  -13.48062      6.484076  
1 1 1 -1  2  8  o 164.1799 1.141757  13812.79   192.0843 14608.10  482.8000 13287.30   319.0000 168.7694 2.791741  161.0012 1.933584  7.768219       3.395963  
1 1 1 -1  2  9  o 80.81257 0.6147314 3346.189   50.90526 3079.100  111.6000 3570.200   93.60000 77.51115 1.405082  83.46868 1.094344  -5.957527      1.780967  
1 1 1 -1  2  10 o 72.59193 0.5799801 2700.013   43.14196 2490.300  97.00000 2868.000   77.70000 69.70835 1.357965  74.81242 1.013559  -5.104073      1.694512  
1 1 1 -1  2  11 o 201.6924 1.374752  20846.86   284.1269 20311.00  667.5000 21244.00   494.7000 198.9836 3.273675  203.5613 2.371637  -4.577698      4.042476  
1 1 1 -1  2  12 o 248.1710 1.678403  31562.71   426.8208 32160.70  1046.300 31150.70   720.9000 250.3641 4.078362  246.4902 2.854152  3.873978       4.977873  
1 1 1 -1  2  13 o 380.1441 2.534973  74072.32   987.4609 71499.90  2305.600 75999.40   1727.200 373.1028 6.030553  384.8894 4.379336  -11.78662      7.452929  
1 1 1 -1  2  14 o 198.2220 1.384925  20133.79   281.3043 20106.10  690.9000 20152.80   474.5000 198.0240 3.404858  198.2930 2.335234  -0.2689514     4.128726  
1 1 1 -1  2  15 o 387.3694 2.186521  76905.98   867.9153 77927.40  1759.700 75911.90   1712.600 389.7395 4.406216  384.6735 4.344755  5.066071       6.188024  
1 1 1 -1  2  16 o 381.8160 2.160257  74717.69   845.1968 75198.10  1687.100 74235.40   1693.700 382.8499 4.300450  380.3860 4.345238  2.463898       6.113507  
1 1 1 -1  2  17 f 514.2673 3.363226  135623.5   1772.325 134067.0  2982.000 137904.0   4369.000 510.8806 5.696261  517.4155 8.240323  -6.534973      10.01750  
1 1 1 -1  2  18 o 316.0767 2.131173  51207.13   690.2551 53610.70  1230.300 48135.00   1572.500 323.2755 3.713984  306.1660 5.012280  17.10950       6.238319  
1 1 1 -1  2  19 o 143.3191 1.048340  10525.19   153.9588 10611.60  261.0000 10400.90   375.4000 143.8900 1.770157  142.4267 2.572199  1.463272       3.122444  
1 1 1 -1  2  20 f 200.9090 1.423349  20686.63   293.0281 21088.90  501.1000 20120.10   705.7000 202.7995 2.411344  197.9999 3.478219  4.799591       4.232327  
1 1 1 -1  2  21 o 259.3315 1.770225  34475.99   470.4159 34401.30  798.7000 34583.00   1144.500 258.9163 3.010412  259.3847 4.305991  -0.4683533     5.253963  
1 1 1 -1  2  22 o 103.9377 0.8497686 5535.821   90.50488 5232.600  148.6000 6008.200   231.5000 101.0364 1.435300  108.2390 2.087224  -7.202560      2.533098  
1 1 1 -1  2  23 o 145.0769 1.070920  10786.64   159.2039 10633.40  267.8000 11011.30   392.6000 144.0051 1.814824  146.4784 2.615643  -2.473312      3.183578  
1 1 1 -1  2  24 o 103.2437 0.8318987 5462.279   88.01009 5410.700  143.9000 5543.500   226.6000 102.7394 1.366864  103.9567 2.127203  -1.217293      2.528500  
1 1 1 -1  2  25 o 72.08066 0.6315690 2662.279   46.64853 2673.800  78.30000 2645.300   115.4000 72.22929 1.057913  71.83008 1.567838  0.3992157      1.891374  
1 1 1 -1  2  26 o 125.0597 0.9361598 8015.211   119.9681 8247.600  206.6000 7693.400   286.1000 126.8288 1.589695  122.4455 2.280220  4.383385       2.779665  
1 1 1 -1  2  27 o 46.86891 0.4372637 1125.549   21.00036 1036.100  39.30000 1228.200   45.10000 44.96415 0.8529583 48.95471 0.8990497 -3.990562      1.239285  
1 1 1 -1  2  28 o 184.9868 1.121133  17540.76   212.5182 19073.50  458.4000 16216.00   396.2000 192.7551 2.320814  177.7518 2.175214  15.00323       3.180839  
1 1 1 -1  2  29 o 98.56916 0.6577476 4978.886   66.43527 5184.800  136.2000 4782.800   129.7000 100.5581 1.321788  96.58171 1.310529  3.976387       1.861346  
1 1 1 -1  2  30 o 83.81120 0.6032374 3599.607   51.80703 3757.700  108.8000 3455.900   98.90000 85.60563 1.240304  82.09932 1.175597  3.506310       1.708912  
1 1 1 -1  2  31 o 42.49197 0.4191355 925.1907   18.24986 976.4000  36.40000 873.7000   36.60000 43.64524 0.8138908 41.28498 0.8651484 2.360260       1.187813  
1 1 1 -1  2  32 o 96.81057 0.6533578 4803.617   64.81451 4941.600  131.3000 4669.100   128.0000 98.13895 1.305645  95.39429 1.309451  2.744659       1.849154  
1 1 1 -1  2  33 o 39.85443 0.3758504 813.9306   15.34935 778.3000  30.90000 849.1000   30.50000 38.96276 0.7739456 40.69776 0.7313595 -1.735004      1.064837  
1 1 1 -1  2  34 o 23.54570 0.4836427 284.1358   11.66903 212.4000  18.90000 399.9000   30.50000 20.32932 0.9095816 27.89630 1.068954  -7.566978      1.403568  
1 1 1 -1  3  1  o 205.8470 2.323969  0.000000   0.000000 ?         ?        21719.40   490.2000 ?        ?         205.8470 2.323969  0.000000       2.323969  
1 1 1 -1  3  2  f 120.6524 1.390406  0.000000   0.000000 ?         ?        7459.500   171.9000 ?        ?         120.6524 1.390406  0.000000       1.390406  
1 1 1 -1  3  3  o 125.2170 1.462860  0.000000   0.000000 ?         ?        8034.800   187.7000 ?        ?         125.2170 1.462860  0.000000       1.462860  
1 1 1 -1  3  4  o 137.7179 1.597930  0.000000   0.000000 ?         ?        9719.700   225.5000 ?        ?         137.7179 1.597930  0.000000       1.597930  
1 1 1 -1  3  5  o 75.34054 0.9753667 0.000000   0.000000 ?         ?        2908.500   75.30000 ?        ?         75.34054 0.9753667 0.000000       0.9753667 
1 1 1 -1  3  6  o 343.5831 3.816845  0.000000   0.000000 ?         ?        60590.40   1343.800 ?        ?         343.5831 3.816845  0.000000       3.816845  
1 1 1 -1  3  7  o 157.0043 1.874655  0.000000   0.000000 ?         ?        12636.00   301.6000 ?        ?         157.0043 1.874655  0.000000       1.874655  
1 1 1 -1  3  8  o 188.0268 2.147694  0.000000   0.000000 ?         ?        18126.30   413.8000 ?        ?         188.0268 2.147694  0.000000       2.147694  
1 1 1 -1  3  9  o 169.2556 1.992656  0.000000   0.000000 ?         ?        14685.60   345.6000 ?        ?         169.2556 1.992656  0.000000       1.992656  
1 1 1 -1  3  10 o 100.2769 0.7561241 5152.261   77.69487 4662.800  172.9000 5551.700   141.1000 95.38136 1.769022  104.0846 1.322946  -8.703239      2.208987  
1 1 1 -1  3  11 o 173.5412 1.030729  15431.68   183.2928 15371.20  368.9000 15491.40   364.3000 173.1766 2.078840  173.8535 2.044925  -0.6768341     2.916041  
1 1 1 -1  3  12 o 170.7072 1.019121  14931.51   178.2691 14254.10  346.3000 15650.20   367.4000 166.7721 2.026425  174.7479 2.051770  -7.975769      2.883775  
1 1 1 -1  3  13 o 201.9120 1.179389  20889.68   244.0155 22199.40  525.3000 19753.50   455.7000 208.1137 2.463249  196.3204 2.265246  11.79338       3.346481  
1 1 1 -1  3  14 o 92.94176 0.6168699 4425.897   58.74932 4397.200  117.9000 4454.400   117.1000 92.63633 1.242036  93.23702 1.225660  -0.6006927     1.744963  
1 1 1 -1  3  15 o 174.5965 1.050950  15619.75   188.0253 16005.90  383.7000 15248.70   368.7000 176.7200 2.118886  172.4901 2.085982  4.229874       2.973382  
1 1 1 -1  3  16 o 357.8331 2.028858  65624.83   743.9272 64773.40  1459.900 66509.50   1516.900 355.3391 4.009422  360.0581 4.111365  -4.718994      5.742716  
1 1 1 -1  3  17 o 562.8842 3.104459  162468.9   1790.620 164312.0  3612.000 160657.0   3551.000 565.3503 6.234932  559.0379 6.198848  6.312439       8.792048  
1 1 1 -1  3  18 o 149.2784 0.9175206 11418.26   140.3496 11533.90  280.2000 11302.20   281.2000 150.0132 1.822805  148.4981 1.847975  1.515137       2.595694  
1 1 1 -1  3  19 o 383.3260 2.158882  75329.59   847.9992 76790.10  1729.900 73925.20   1663.400 386.6657 4.366033  379.4027 4.278563  7.263000       6.112966  
1 1 1 -1  3  20 o 254.4237 1.501369  33177.16   391.4205 33492.00  776.1000 32856.80   789.7000 255.4955 2.964395  253.0512 3.045477  2.444244       4.250008  
1 1 1 -1  3  21 o 182.0743 1.291357  16990.63   240.9312 17257.70  417.6000 16626.40   569.5000 183.4402 2.221609  179.9716 3.088101  3.468613       3.804197  
1 1 1 -1  3  22 o 2.078335 1.047066  -32.78788  10.27411 -14.10000 17.80000 -58.30000  24.30000 4.037178 1.859869  3.553358 1.761970  0.4838200      2.561962  
1 1 1 -1  3  23 o 156.5255 1.147606  12556.91   184.0671 12533.40  316.5000 12589.60   439.9000 156.3277 1.975784  156.6064 2.741235  -0.2786407     3.379066  
1 1 1 -1  3  24 o 227.4380 1.564738  26520.60   364.6726 26539.40  620.5000 26493.80   884.5000 227.3752 2.663178  226.9530 3.803327  0.4222717      4.643039  
1 1 1 -1  3  25 o 281.0073 1.892915  40499.52   545.0634 40447.20  933.2000 40573.00   1310.500 280.5462 3.246175  280.5716 4.558217  -0.2532959E-01 5.595980  
1 1 1 -1  3  26 o 223.7976 1.571717  25680.78   360.4359 25859.40  610.0000 25422.80   881.0000 224.4175 2.652618  222.2454 3.868520  2.172150       4.690610  
1 1 1 -1  3  27 f 91.03088 0.7157394 4246.395   66.76396 4111.200  109.0000 4460.100   172.3000 89.55663 1.187765  93.25072 1.803162  -3.694084      2.159208  
1 1 1 -1  3  28 o 48.33685 0.4932622 1197.200   24.43175 1270.000  41.60000 1093.600   59.20000 49.78066 0.8155194 46.16908 1.252488  3.611584       1.494589  
1 1 1 -1  3  29 o 49.97445 0.4338074 1279.683   22.21485 1347.400  45.40000 1214.800   43.50000 51.27302 0.8641092 48.68460 0.8719654 2.588417       1.227603  
1 1 1 -1  3  30 f 52.91912 0.4589338 1434.980   24.88634 1353.700  45.80000 1531.700   54.50000 51.39054 0.8697289 54.66196 0.9730001 -3.271423      1.305051  
1 1 1 -1  3  31 o 51.18651 0.4511209 1342.586   23.66175 1449.800  49.90000 1245.900   45.00000 53.17906 0.9157176 49.29866 0.8907976 3.880398       1.277521  
1 1 1 -1  3  32 o 18.27392 0.4837272 171.2500   9.050000 170.2000  18.10000 172.3000   18.10000 18.19212 0.9745063 18.30475 0.9684216 -0.1126270     1.373864  
1 1 1 -1  3  33 o 34.30938 0.4386072 603.2433   15.42010 654.7000  26.70000 532.9000   36.50000 35.73560 0.7291415 32.20845 1.107570  3.527145       1.326032  
1 1 1 -1  3  34 o 60.61688 0.5156545 1883.292   32.02954 1831.100  52.00000 1967.000   83.40000 59.75194 0.8492840 61.88583 1.315154  -2.133892      1.565539  
1 1 1 -1  4  1  o 49.02932 0.6767445 0.000000   0.000000 ?         ?        1231.700   34.00000 ?        ?         49.02932 0.6767445 0.000000       0.6767445 
1 1 1 -1  4  2  f 145.5641 1.690801  0.000000   0.000000 ?         ?        10860.20   252.2000 ?        ?         145.5641 1.690801  0.000000       1.690801  
1 1 1 -1  4  3  o 230.3985 2.609596  0.000000   0.000000 ?         ?        27223.20   616.1000 ?        ?         230.3985 2.609596  0.000000       2.609596  
1 1 1 -1  4  4  o 143.0722 1.666364  0.000000   0.000000 ?         ?        10491.90   244.3000 ?        ?         143.0722 1.666364  0.000000       1.666364  
1 1 1 -1  4  5  o 92.89510 1.129321  0.000000   0.000000 ?         ?        4422.200   107.5000 ?        ?         92.89510 1.129321  0.000000       1.129321  
1 1 1 -1  4  6  o 142.1125 1.676930  0.000000   0.000000 ?         ?        10351.80   244.2000 ?        ?         142.1125 1.676930  0.000000       1.676930  
1 1 1 -1  4  7  o 136.8576 1.635785  0.000000   0.000000 ?         ?        9599.900   229.4000 ?        ?         136.8576 1.635785  0.000000       1.635785  
1 1 1 -1  4  8  o 306.0786 2.020980  48022.43   633.8600 47837.20  1505.700 48157.10   1094.700 305.1435 4.815440  306.3613 3.487087  -1.217865      5.945438  
1 1 1 -1  4  9  o 290.2754 1.902345  43185.53   565.8455 42098.70  1341.000 43978.90   978.9000 286.3644 4.569949  292.8318 3.262284  -6.467346      5.614884  
1 1 1 -1  4  10 o 393.5587 2.544082  79397.23   1025.980 82279.00  2573.700 77486.90   1706.100 400.1266 6.277144  388.6162 4.284353  11.51041       7.599883  
1 1 1 -1  4  11 o 66.22303 0.5459470 2246.960   37.04742 2063.200  85.80000 2386.600   65.20000 63.45426 1.319557  68.24845 0.9323015 -4.794189      1.615678  
1 1 1 -1  4  12 o 306.9249 2.035664  48278.23   640.2308 48569.70  1530.400 48068.60   1100.700 307.6532 4.854508  306.1755 3.508328  1.477692       5.989542  
1 1 1 -1  4  13 o 243.1120 1.633507  30287.38   406.9358 31594.60  1016.500 29414.70   678.6000 248.1886 3.996936  239.5427 2.764601  8.645905       4.859889  
1 1 1 -1  4  14 o 83.56518 0.5667614 3577.909   48.53153 3186.100  85.70000 4089.500   111.9000 78.85471 1.060608  89.33614 1.222375  -10.48143      1.618360  
1 1 1 -1  4  15 o 135.7964 0.8360733 9448.633   116.3405 9500.800  234.8000 9397.400   230.6000 136.1593 1.682877  135.4167 1.661838  0.7425842      2.365117  
1 1 1 -1  4  16 o 367.1442 2.053163  69087.96   772.4290 68139.20  1515.200 70074.60   1575.700 364.4188 4.057615  369.5442 4.161106  -5.125397      5.811974  
1 1 1 -1  4  17 o 115.4716 0.7379629 6831.918   87.31883 6971.200  178.0000 6697.800   171.4000 116.6327 1.489365  114.3232 1.463114  2.309502       2.087801  
1 1 1 -1  4  18 o 205.0631 1.203650  21548.80   252.9216 21629.70  504.0000 21467.30   507.7000 205.3919 2.394688  204.6177 2.421394  0.7741699      3.405537  
1 1 1 -1  4  19 o 77.66904 0.5462776 3090.896   43.47701 3090.700  85.00000 3091.100   89.00000 77.66151 1.068107  77.66588 1.118308  -0.4364014E-02 1.546436  
1 1 1 -1  4  20 o 36.66274 0.4075755 688.7033   15.31198 564.8000  26.70000 855.3000   35.90000 33.19995 0.7848298 40.85492 0.8575348 -7.654964      1.162464  
1 1 1 -1  4  21 o 113.2672 0.7370178 6574.021   85.54221 6545.000  167.8000 6604.200   174.5000 112.9966 1.449199  113.5045 1.500320  -0.5079041     2.085938  
1 1 1 -1  4  22 o 43.53222 0.3949002 970.9727   17.61556 1078.200  37.40000 875.5000   33.30000 45.87022 0.7956872 41.33426 0.7862049 4.535969       1.118587  
1 1 1 -1  4  23 o 136.2825 0.8786905 9517.852   122.7085 9501.000  242.6000 9535.100   248.3000 136.1205 1.739277  136.3622 1.776988  -0.2416229     2.486518  
1 1 1 -1  4  24 o 13.36740 0.5794776 91.73154   7.918612 108.7000  16.30000 75.70000   15.40000 14.52133 1.103692  12.08691 1.261959  2.434415       1.676508  
1 1 1 -1  4  25 o 82.63599 0.6678746 3499.172   56.55389 3471.200  95.30000 3540.000   139.1000 82.29470 1.130115  83.08879 1.633753  -0.7940903     1.986532  
1 1 1 -1  4  26 o 94.41265 0.7538947 4567.823   72.93555 4611.800  124.4000 4505.500   176.3000 94.84949 1.279932  93.72354 1.835715  1.125946       2.237873  
1 1 1 -1  4  27 f 47.92406 0.4939886 1176.833   24.25878 1205.400  41.70000 1137.100   58.00000 48.49810 0.8390985 47.08225 1.203174  1.415852       1.466872  
1 1 1 -1  4  28 o 47.81544 0.4988904 1171.527   24.44397 1217.300  40.70000 1102.700   61.20000 48.73611 0.8149766 46.35722 1.289608  2.378899       1.525541  
1 1 1 -1  4  29 o 47.83841 0.5317739 1172.699   26.06767 1178.600  45.30000 1164.700   61.40000 47.95150 0.9219292 47.64214 1.258808  0.3093643      1.560305  
1 1 1 -1  4  30 o 78.09358 0.6503232 3125.483   52.04068 3195.000  91.20000 3033.100   121.2000 78.93574 1.127516  76.88272 1.538422  2.053017       1.907363  
1 1 1 -1  4  31 o 69.34298 0.5911245 2464.322   42.00296 2333.600  67.10000 2683.100   112.3000 67.46241 0.9706491 72.29810 1.515844  -4.835686      1.799984  
1 1 1 -1  4  32 o 63.52766 0.5009454 2068.280   32.61007 2235.400  70.20000 1923.300   60.90000 66.01555 1.037749  61.23830 0.9705005 4.777248       1.420843  
1 1 1 -1  4  33 o 19.60750 0.5062954 197.1729   10.16391 183.9000  16.90000 217.2000   25.50000 18.91596 0.8742508 20.53380 1.217380  -1.617836      1.498775  
1 1 1 -1  5  1  o 201.4352 1.872958  0.000000   0.000000 ?         ?        20799.80   386.6000 ?        ?         201.4352 1.872958  0.000000       1.872958  
1 1 1 -1  5  2  o 160.5764 1.840854  0.000000   0.000000 ?         ?        13217.20   302.9000 ?        ?         160.5764 1.840854  0.000000       1.840854  
1 1 1 -1  5  3  o 200.3164 1.339017  20563.96   274.8531 21465.80  704.7000 19987.30   450.6000 204.5300 3.362396  197.4454 2.227131  7.084595       4.033091  
1 1 1 -1  5  4  o 133.3463 0.9205614 9111.232   125.7859 8863.100  294.8000 9295.900   219.4000 131.4850 2.188029  134.6764 1.589815  -3.191467      2.704623  
1 1 1 -1  5  5  o 157.4256 1.075476  12699.19   173.4900 12806.50  421.4000 12624.10   294.9000 158.0386 2.602154  156.9396 1.833765  1.098953       3.183379  
1 1 1 -1  5  6  o 126.1374 0.9011423 8152.509   116.4758 8333.500  291.7000 8032.200   193.9000 127.5033 2.232630  125.1940 1.511458  2.309265       2.696135  
1 1 1 -1  5  7  o 394.8987 2.563473  79943.84   1037.320 76093.00  2407.400 82859.40   1822.700 384.7633 6.105993  401.8105 4.426857  -17.04727      7.541897  
1 1 1 -1  5  8  o 262.1173 1.728275  35209.27   464.2018 36764.70  1163.600 34176.90   772.3000 267.6938 4.241964  258.1923 2.919069  9.501465       5.149293  
1 1 1 -1  5  9  o 197.4991 1.333159  19987.17   269.8021 20378.90  659.7000 19716.10   456.5000 199.3660 3.229215  196.1325 2.271396  3.233490       3.948046  
1 1 1 -1  5  10 o 25.31896 1.108900  329.1000   28.70000 329.1000  28.70000 ?          ?        25.31896 1.108900  ?        ?         0.000000       1.108900  
1 1 1 -1  5  11 f 257.8439 1.721483  34069.95   454.8393 33458.50  1057.000 34531.80   798.4000 255.4016 4.038805  259.5313 3.002150  -4.129700      5.032381  
1 1 1 -1  5  12 o 133.6043 0.9877739 9146.190   135.2310 9728.400  348.2000 8776.500   221.1000 137.7653 2.466554  130.8679 1.648759  6.897354       2.966866  
1 1 1 -1  5  13 o 243.2440 1.616172  30320.79   402.8359 31938.10  1013.900 29254.60   668.4000 249.5206 3.965431  238.8843 2.730552  10.63623       4.814619  
1 1 1 -1  5  14 o 338.1590 2.214149  58612.16   767.2310 59459.50  1865.100 58020.00   1303.400 340.2589 5.349267  336.3149 3.782102  3.943970       6.551256  
1 1 1 -1  5  15 o 133.5625 0.9473546 9140.568   129.6568 8572.400  290.0000 9600.000   234.5000 129.3216 2.188409  136.8659 1.672049  -7.544342      2.754067  
1 1 1 -1  5  16 o 275.1909 1.801123  38814.17   507.8970 38275.10  1195.600 39212.30   883.0000 273.0494 4.273132  276.5010 3.116489  -3.451599      5.288872  
1 1 1 -1  5  17 o 214.1053 1.466212  23493.50   321.6788 24089.80  784.0000 23078.60   545.5000 216.6565 3.531392  212.1477 2.509331  4.508820       4.332144  
1 1 1 -1  5  18 o 139.5593 0.8686382 9980.192   124.2213 9646.000  240.7000 10336.60   256.7000 137.1788 1.712343  142.0024 1.764135  -4.823669      2.458514  
1 1 1 -1  5  19 o 97.30534 0.6670116 4851.543   66.50716 4532.900  128.9000 5191.200   137.4000 94.04314 1.337603  100.6407 1.332339  -6.597534      1.887938  
1 1 1 -1  5  20 o 60.42010 0.4655465 1870.481   28.82324 1849.000  57.20000 1892.300   58.10000 60.06761 0.9293029 60.76682 0.9330636 -0.6992149     1.316895  
1 1 1 -1  5  21 o 132.2644 0.8209639 8964.560   111.2667 8675.800  212.8000 9281.000   233.2000 130.0856 1.596408  134.5410 1.691514  -4.455368      2.325884  
1 1 1 -1  5  22 f 115.6874 0.7436249 6858.128   88.15322 6594.100  169.4000 7144.600   183.8000 113.4144 1.457629  118.0507 1.519423  -4.636292      2.105547  
1 1 1 -1  5  23 o 97.82115 0.6359518 4903.252   63.74635 4613.700  123.9000 5210.100   131.3000 94.87232 1.274481  100.8181 1.270949  -5.945747      1.799892  
1 1 1 -1  5  24 o 158.9865 0.9784330 12954.34   159.4005 13009.30  314.9000 12898.00   322.8000 159.2565 1.929643  158.5684 1.986636  0.6880951      2.769521  
1 1 1 -1  5  25 o 173.4157 1.052311  15413.55   186.9954 16166.80  391.0000 14723.10   358.4000 177.5007 2.149702  169.3999 2.064698  8.100845       2.980637  
1 1 1 -1  5  26 o 38.32843 0.4380118 752.7330   17.20304 749.7000  32.70000 756.1000   36.30000 38.24761 0.8343439 38.40944 0.9222960 -0.1618233     1.243688  
1 1 1 -1  5  27 o 129.4431 0.8213181 8587.218   108.9403 8918.900  223.1000 8270.700   212.9000 131.8611 1.651143  126.9804 1.636216  4.880684       2.324537  
1 1 1 -1  5  28 o 95.64053 0.6688850 4687.587   65.55289 4555.300  124.3000 4835.200   138.7000 94.25291 1.286998  97.09850 1.394009  -2.845581      1.897268  
1 1 1 -1  5  29 o 70.14941 0.6199522 2521.848   44.56364 2490.000  74.10000 2569.900   111.8000 69.69025 1.037643  70.77132 1.541651  -1.081070      1.858330  
1 1 1 -1  5  30 f 21.24745 0.4940869 231.3466   10.75743 176.9000  18.30000 309.0000   26.10000 18.54976 0.9660814 24.52594 1.040890  -5.976187      1.420129  
1 1 1 -1  5  31 o 138.2189 0.9960482 9797.849   141.0737 9987.600  248.0000 9547.500   327.2000 139.4111 1.736024  136.1375 2.345510  3.273682       2.918081  
1 1 1 -1  5  32 o 17.89595 0.5565978 164.3101   10.19451 169.5000  16.20000 155.5000   27.50000 18.15915 0.8731636 17.32503 1.565920  0.8341236      1.792909  
1 1 1 -1  5  33 o 66.01105 0.5504109 2233.539   37.23077 2084.000  60.50000 2472.800   96.80000 63.73723 0.9263259 69.37838 1.361610  -5.641148      1.646834  
1 1 1 -1  6  1  o 14.84894 0.6654761 0.000000   0.000000 ?         ?        113.2000   10.10000 ?        ?         14.84894 0.6654761 0.000000       0.6654761 
1 1 1 -1  6  2  o 143.6506 0.8915328 10573.31   131.2330 11063.30  386.5000 10321.40   198.7000 146.9071 2.567487  141.9229 1.366303  4.984222       2.908398  
1 1 1 -1  6  3  o 85.42078 0.6467513 3738.604   56.61079 3524.300  133.3000 3896.800   98.40000 82.92983 1.568632  87.20662 1.101152  -4.276787      1.916544  
1 1 1 -1  6  4  o 184.3989 1.066098  17422.94   201.4438 17993.30  419.9000 16897.00   387.2000 187.3676 2.187021  181.5729 2.081066  5.794647       3.018923  
1 1 1 -1  6  5  o 94.48215 0.6033472 4573.821   58.41380 4304.700  108.9000 4885.200   126.0000 91.65718 1.159479  97.64107 1.259330  -5.983887      1.711813  
1 1 1 -1  6  6  o 363.0775 2.012144  67559.77   748.6121 68508.90  1524.400 66643.90   1471.000 365.4616 4.070603  360.4617 3.982495  4.999939       5.694741  
1 1 1 -1  6  7  o 149.3622 0.9122379 11430.75   139.6199 11006.30  273.8000 11872.40   284.9000 146.5504 1.823257  152.2073 1.826663  -5.656891      2.580885  
1 1 1 -1  6  8  o 129.0428 0.9251506 8532.218   122.3333 8942.800  313.3000 8269.200   200.7000 132.0904 2.314679  127.0315 1.541834  5.058884       2.781185  
1 1 1 -1  6  9  o 190.6661 1.292468  18628.09   252.5176 19457.10  633.7000 18078.90   419.8000 194.8029 3.174607  187.8134 2.181311  6.989532       3.851784  
1 1 1 -1  6  10 o 337.8764 2.219486  58512.13   768.4378 56096.20  1761.600 60381.40   1363.000 330.5512 5.200800  343.1000 3.876830  -12.54880      6.486766  
1 1 1 -1  6  11 o 93.62463 0.6854647 4491.226   65.76178 4592.200  157.7000 4419.000   112.8000 94.66306 1.625746  92.86530 1.185379  1.797760       2.012008  
1 1 1 -1  6  12 o 77.31844 0.6054173 3063.007   47.96631 2874.200  110.6000 3207.600   84.70000 74.89213 1.441188  79.11993 1.044718  -4.227806      1.780016  
1 1 1 -1  6  13 o 289.8880 1.902354  43069.95   565.0930 44286.60  1397.100 42243.60   948.9000 293.7106 4.642047  287.0035 3.226523  6.707031       5.653234  
1 1 1 -1  6  14 o 256.8799 1.701174  33819.00   447.7928 35680.70  1127.500 32592.50   742.8000 263.6547 4.173329  252.1077 2.875328  11.54701       5.067957  
1 1 1 -1  6  15 o 66.02325 0.5283759 2233.456   35.74689 2120.600  80.50000 2323.600   64.30000 64.32867 1.221217  67.33996 0.9318366 -3.011292      1.536129  
1 1 1 -1  6  16 o 202.5606 1.368711  21028.08   284.0960 21488.80  698.2000 20712.00   479.0000 204.6270 3.329803  200.9794 2.325870  3.647583       4.061682  
1 1 1 -1  6  17 o 55.96725 0.5122624 1604.932   29.37818 1600.800  67.70000 1608.100   51.90000 55.88949 1.182116  56.01968 0.9041247 -0.1301918     1.488234  
1 1 1 -1  6  18 o 387.9085 2.532376  77201.14   1006.598 77994.60  2424.900 76638.00   1721.000 388.6232 6.089291  385.9742 4.351353  2.649078       7.484232  
1 1 1 -1  6  19 o 37.20050 0.4335278 709.0651   16.52586 652.5000  37.10000 754.5000   29.80000 35.66766 1.016117  38.37201 0.7578851 -2.704353      1.267629  
1 1 1 -1  6  20 o 168.6903 1.172382  14584.99   202.6552 14895.30  492.6000 14368.10   344.3000 170.3276 2.822351  167.3728 2.007492  2.954758       3.463480  
1 1 1 -1  6  21 o 177.2390 1.047868  16099.81   190.3111 15388.50  363.2000 16882.80   399.8000 173.2043 2.046391  181.4079 2.150741  -8.203552      2.968738  
1 1 1 -1  6  22 o 142.9744 0.8737944 10475.69   128.0165 9887.600  241.6000 11138.50   272.3000 138.8601 1.697936  147.3743 1.803132  -8.514252      2.476746  
1 1 1 -1  6  23 o 61.74949 0.4654538 1953.729   29.45156 1850.900  54.20000 2076.100   64.50000 60.09728 0.8801286 63.64638 0.9889802 -3.549103      1.323899  
1 1 1 -1  6  24 o 38.56296 0.3980915 761.9599   15.73083 631.6000  28.00000 929.1000   35.90000 35.10694 0.7783353 42.57924 0.8228074 -7.472305      1.132615  
1 1 1 -1  6  25 o 111.3469 0.7073027 6353.395   80.70158 6419.500  158.7000 6285.000   164.2000 111.8953 1.384098  110.7132 1.447356  1.182098       2.002640  
1 1 1 -1  6  26 o 162.0987 0.9802010 13468.15   162.8144 13123.10  316.5000 13833.70   335.3000 159.9128 1.931489  164.1767 1.993075  -4.263885      2.775428  
1 1 1 -1  6  27 o 141.2234 0.8836029 10222.36   127.8681 9940.200  242.1000 10538.20   271.0000 139.1876 1.697446  143.2944 1.845617  -4.106827      2.507514  
1 1 1 -1  6  28 o 124.1155 0.7637792 7895.418   97.13867 8532.500  208.2000 7338.200   182.1000 128.9510 1.575643  119.5963 1.485915  9.354675       2.165778  
1 1 1 -1  6  29 o 45.66555 0.4159412 1068.568   19.46342 1033.300  38.00000 1105.600   39.90000 44.89705 0.8259760 46.44086 0.8384445 -1.543808      1.176956  
1 1 1 -1  6  30 o 160.4277 0.9735164 13198.54   160.0372 12902.90  311.8000 13510.30   328.8000 158.4106 1.920851  162.0783 1.979742  -3.667709      2.758450  
1 1 1 -1  6  31 o 95.61420 0.7298614 4686.982   71.50908 4490.200  120.4000 4974.800   176.1000 93.52633 1.256302  98.35627 1.747266  -4.829941      2.152030  
1 1 1 -1  6  32 o 57.31246 0.5036038 1683.549   29.57579 1693.100  49.40000 1669.300   73.70000 57.45608 0.8390592 57.01426 1.261495  0.4418182      1.515055  
1 1 1 -1  7  1  o 246.5052 2.280727  0.000000   0.000000 ?         ?        31144.60   576.1000 ?        ?         246.5052 2.280727  0.000000       2.280727  
1 1 1 -1  7  2  o 248.6977 2.324975  0.000000   0.000000 ?         ?        31701.60   592.5000 ?        ?         248.6977 2.324975  0.000000       2.324975  
1 1 1 -1  7  3  o 202.1909 1.200370  20947.75   248.6996 20987.00  668.6000 20924.50   396.0000 202.3142 3.225089  202.0624 1.912544  0.2518005      3.749536  
1 1 1 -1  7  4  o 243.5238 1.594465  30390.17   397.8825 31618.70  1000.700 29579.30   660.5000 248.2783 3.933387  240.2115 2.683370  8.066788       4.761513  
1 1 1 -1  7  5  o 175.7195 1.022280  15821.31   184.0721 15817.40  369.6000 15825.20   366.7000 175.6767 2.053145  175.7204 2.036528  -0.4376221E-01 2.891859  
1 1 1 -1  7  6  o 413.6169 2.293623  87688.20   972.1175 87053.00  1921.800 88338.40   1967.200 411.8704 4.553542  414.8892 4.627197  -3.018799      6.491972  
1 1 1 -1  7  7  o 182.6280 1.067920  17090.01   199.8501 16568.30  382.1000 17662.10   419.0000 179.7964 2.073947  185.6324 2.202733  -5.835983      3.025440  
1 1 1 -1  7  8  o 96.15545 0.5939580 4737.277   58.52319 4724.200  116.4000 4750.500   117.7000 96.01851 1.183041  96.28530 1.192939  -0.2667923     1.680086  
1 1 1 -1  7  9  o 150.7087 0.8923083 11637.90   137.8007 11817.90  283.2000 11467.30   268.4000 151.8533 1.819997  149.5854 1.751035  2.267883       2.525572  
1 1 1 -1  7  10 o 13.91080 0.5708117 99.31535   8.119326 142.3000  17.30000 61.30000   15.30000 16.63347 1.019901  10.84618 1.409966  5.787287       1.740173  
1 1 1 -1  7  11 o 127.9454 0.7731681 8387.712   101.3671 8016.000  197.1000 8781.300   208.7000 125.0673 1.537957  130.9011 1.555897  -5.833748      2.187722  
1 1 1 -1  7  12 o 312.8239 1.752804  50155.48   561.8645 50218.50  1128.600 50093.00   1118.900 312.8562 3.520440  312.4682 3.494516  0.3879700      4.960357  
1 1 1 -1  7  13 o 190.5310 1.324187  18603.72   258.5315 19590.20  652.7000 17956.70   428.1000 195.4034 3.259741  187.1487 2.232338  8.254700       3.950853  
1 1 1 -1  7  14 o 144.7685 0.9855226 10739.42   146.1973 11025.20  352.9000 10537.30   249.6000 146.6313 2.348694  143.3789 1.698874  3.252487       2.898713  
1 1 1 -1  7  15 o 65.90987 0.5639222 2225.840   38.08624 2183.600  82.70000 2261.900   70.60000 65.27446 1.236414  66.43714 1.037040  -1.162682      1.613744  
1 1 1 -1  7  16 o 101.4036 0.7413696 5268.962   77.03470 5555.100  185.0000 5064.800   132.0000 104.0936 1.734400  99.40772 1.295852  4.685921       2.165035  
1 1 1 -1  7  17 o 57.06684 0.5008785 1668.640   29.28968 1449.400  59.70000 1879.800   57.50000 53.17979 1.095543  60.56564 0.9264952 -7.385853      1.434785  
1 1 1 -1  7  18 o 138.4255 0.9724811 9819.953   137.9417 9629.400  320.8000 9963.700   242.0000 136.9982 2.285183  139.3994 1.694166  -2.401199      2.844690  
1 1 1 -1  7  19 o 139.0927 0.9545447 9914.863   136.0501 9161.000  300.8000 10537.40   248.4000 133.6277 2.196761  143.3541 1.690997  -9.726425      2.772225  
1 1 1 -1  7  20 o 61.44600 0.5264390 1934.599   33.14668 2069.600  80.60000 1840.300   56.30000 63.54202 1.237872  59.92477 0.9168614 3.617249       1.540442  
1 1 1 -1  7  21 o 147.9442 1.020239  11217.70   154.6671 10712.60  353.3000 11611.00   275.1000 144.4713 2.386512  150.4656 1.784247  -5.994293      2.979761  
1 1 1 -1  7  22 o 14.89376 0.6341977 113.8729   9.656778 65.70000  21.70000 152.5000   17.40000 11.15243 1.970922  17.22129 0.9901932 -6.068860      2.205678  
1 1 1 -1  7  23 o 178.2807 1.229633  16293.19   224.6355 16451.30  528.5000 16176.30   390.7000 178.9321 2.882428  177.5443 2.147525  1.387772       3.594476  
1 1 1 -1  7  24 o 118.9440 0.8741616 7250.748   106.5449 7384.900  248.7000 7150.200   186.4000 119.9615 2.023184  118.0794 1.540541  1.882126       2.542940  
1 1 1 -1  7  25 o 1.835842 0.9175096 -19.60909  7.144405 -45.00000 14.70000 4.400000   13.90000 2.526042 1.269967  4.637895 1.879562  -2.111853      2.268385  
1 1 1 -1  7  26 o 58.03318 0.4478012 1725.705   26.62932 1627.200  49.60000 1839.900   57.50000 56.34464 0.8590743 59.91195 0.9366040 -3.567314      1.270919  
1 1 1 -1  7  27 o 120.1619 0.7325782 7400.307   90.20261 7247.400  174.0000 7564.900   187.3000 118.8574 1.428647  121.4243 1.505337  -2.566940      2.075348  
1 1 1 -1  7  28 f 73.82884 0.5217169 2793.265   39.46929 2901.400  79.90000 2687.700   78.00000 75.22097 1.036596  72.39696 1.051419  2.824013       1.476487  
1 1 1 -1  7  29 o 36.33130 0.3631278 676.3742   13.51882 739.2000  28.40000 619.3000   25.80000 37.97364 0.7298569 34.75790 0.7243822 3.215740       1.028310  
1 1 1 -1  7  30 o 56.11918 0.5141765 1614.106   29.56800 1546.100  48.00000 1723.200   77.00000 54.90860 0.8531051 57.93418 1.297052  -3.025585      1.552460  
1 1 1 -1  7  31 o 96.26828 0.7217625 4751.897   71.19933 4583.400  116.3000 5017.900   183.6000 94.48220 1.201244  98.72540 1.814870  -4.243202      2.176405  
1 1 1 -1  8  1  o 263.1027 2.090116  0.000000   0.000000 ?         ?        35480.00   563.5000 ?        ?         263.1027 2.090116  0.000000       2.090116  
1 1 1 -1  8  2  o 313.9927 2.852840  0.000000   0.000000 ?         ?        50549.40   917.9000 ?        ?         313.9927 2.852840  0.000000       2.852840  
1 1 1 -1  8  3  o 153.6255 1.462959  0.000000   0.000000 ?         ?        12094.20   230.3000 ?        ?         153.6255 1.462959  0.000000       1.462959  
1 1 1 -1  8  4  f 322.7749 1.849941  53395.20   611.8656 55091.80  1711.900 52451.50   952.2000 327.5286 5.100712  319.8373 2.905365  7.691254       5.870128  
1 1 1 -1  8  5  o 202.8474 1.346139  21085.35   279.8066 21700.30  697.6000 20673.50   467.2000 205.6967 3.309641  200.8254 2.270314  4.871277       4.013483  
1 1 1 -1  8  6  f 168.7808 1.146696  14597.20   198.3215 14221.30  469.8000 14871.80   343.2000 166.5430 2.752886  170.3399 1.966222  -3.796921      3.382959  
1 1 1 -1  8  7  o 407.5192 2.239738  85130.29   935.2841 85702.40  1886.400 84567.70   1855.000 408.5715 4.505753  405.8661 4.460287  2.705444       6.340028  
1 1 1 -1  8  8  f 328.6527 1.830752  55360.68   616.5454 56519.00  1265.500 54260.20   1202.300 331.8835 3.721159  325.1986 3.607994  6.684845       5.183111  
1 1 1 -1  8  9  o 13.78076 0.5191627 97.44164   7.318089 114.5000  15.10000 81.40000   14.20000 14.91528 0.9936440 12.55420 1.115427  2.361087       1.493822  
1 1 1 -1  8  10 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -1  8  11 o 118.8040 0.7355373 7232.125   89.54350 7285.500  174.7000 7176.000   183.7000 119.2280 1.429935  118.3264 1.515058  0.9016342      2.083294  
1 1 1 -1  8  12 o 82.73835 0.5405347 3507.550   45.82778 3857.000  98.90000 3205.800   85.40000 86.75501 1.112509  79.09386 1.053699  7.661156       1.532305  
1 1 1 -1  8  13 o 116.4824 0.7067064 6952.347   84.35244 7182.400  173.8000 6735.400   163.9000 118.3758 1.432809  114.6343 1.395295  3.741562       1.999948  
1 1 1 -1  8  14 o 157.3310 0.9512448 12684.86   153.3575 12297.70  291.1000 13115.90   324.1000 154.8685 1.834344  159.9276 1.977685  -5.059128      2.697417  
1 1 1 -1  8  15 o 85.09147 0.5571472 3710.007   48.57965 3764.400  101.0000 3659.600   93.60000 85.70192 1.150092  84.50220 1.080959  1.199715       1.578348  
1 1 1 -1  8  16 o 12.14691 0.6178527 75.79967   7.665146 58.30000  14.80000 94.60000   15.90000 10.57239 1.400541  13.53637 1.157389  -2.963983      1.816883  
1 1 1 -1  8  17 o 88.37330 0.5666484 4001.752   51.31367 3905.400  99.20000 4105.000   106.3000 87.29164 1.109023  89.49307 1.159166  -2.201431      1.604244  
1 1 1 -1  8  18 o 28.97027 1.181488  430.9000   35.00000 430.9000  35.00000 ?          ?        28.97027 1.181488  ?        ?         0.000000       1.181488  
1 1 1 -1  8  19 o 103.2215 0.7416188 5459.875   78.44207 5787.100  190.2000 5230.200   133.5000 106.2281 1.747320  101.0095 1.289795  5.218628       2.171796  
1 1 1 -1  8  20 o 52.14251 0.4524387 1393.097   24.17409 1504.600  61.10000 1320.100   40.00000 54.18016 1.100532  50.75481 0.7691029 3.425350       1.342643  
1 1 1 -1  8  21 o 101.3509 0.7508367 5263.908   77.97785 5366.800  184.8000 5188.800   134.9000 102.2913 1.763050  100.6051 1.308560  1.686241       2.195604  
1 1 1 -1  8  22 f 100.3477 0.7386538 5160.261   75.95329 5257.100  184.5000 5092.500   129.1000 101.2353 1.778550  99.66700 1.264086  1.568268       2.182007  
1 1 1 -1  8  23 o 78.19588 0.6284028 3133.353   50.35242 3181.300  114.3000 3095.600   90.00000 78.76482 1.416171  77.70873 1.130249  1.056084       1.811906  
1 1 1 -1  8  24 o 105.9825 0.7866041 5756.636   85.42570 5445.100  193.1000 6003.800   153.2000 103.0056 1.829461  108.1993 1.381770  -5.193748      2.292644  
1 1 1 -1  8  25 o 70.01007 0.5748918 2511.724   41.24250 2441.200  89.90000 2571.500   76.20000 68.99474 1.271585  70.82256 1.049989  -1.827820      1.649062  
1 1 1 -1  8  26 f 72.86254 0.5641108 2720.643   42.11794 2975.200  104.4000 2548.500   70.60000 76.15671 1.337808  70.50442 0.9772147 5.652290       1.656708  
1 1 1 -1  8  27 o 94.53879 0.6808293 4580.959   65.95484 4459.000  147.5000 4679.600   119.3000 93.19714 1.544511  95.51048 1.218965  -2.313339      1.967585  
1 1 1 -1  8  28 o 44.30451 0.4291542 1005.887   19.48317 1174.600  49.10000 894.9000   32.30000 47.85530 1.001274  41.78034 0.7544529 6.074955       1.253694  
1 1 1 -1  8  29 o 7.868520 0.9671724 32.23743   7.634356 38.30000  12.20000 22.10000   20.40000 8.516890 1.449807  6.884937 2.378830  1.631952       2.785817  
1 1 1 -1  8  30 o 40.58121 0.4471608 844.0173   18.59461 792.3000  29.50000 932.2000   50.30000 39.30812 0.7323882 42.59615 1.153451  -3.288021      1.366324  
1 1 1 -1  9  1  o 79.49100 0.7672974 0.000000   0.000000 ?         ?        3237.700   62.50000 ?        ?         79.49100 0.7672974 0.000000       0.7672974 
1 1 1 -1  9  2  o 70.21877 0.7004529 0.000000   0.000000 ?         ?        2526.400   50.40000 ?        ?         70.21877 0.7004529 0.000000       0.7004529 
1 1 1 -1  9  3  o 336.9978 3.047003  0.000000   0.000000 ?         ?        58257.60   1052.200 ?        ?         336.9978 3.047003  0.000000       3.047003  
1 1 1 -1  9  4  o 96.53861 0.9835885 0.000000   0.000000 ?         ?        4775.600   97.30000 ?        ?         96.53861 0.9835885 0.000000       0.9835885 
1 1 1 -1  9  5  o 234.4598 1.361851  28172.21   327.1873 27961.00  889.1000 28295.20   517.7000 233.3787 3.717843  234.9243 2.150562  -1.545609      4.295029  
1 1 1 -1  9  6  o 169.9787 1.161368  14806.30   202.2845 15497.50  508.3000 14349.40   336.0000 173.8111 2.853936  167.3038 1.959906  6.507339       3.462106  
1 1 1 -1  9  7  o 48.68808 0.4349347 1214.583   21.69927 1569.900  63.00000 1027.900   33.10000 55.34880 1.110795  44.78915 0.7212018 10.55965       1.324386  
1 1 1 -1  9  8  o 121.0021 0.7270674 7502.307   90.15008 7262.400  172.7000 7764.300   188.6000 119.0363 1.415841  123.0783 1.495415  -4.042053      2.059338  
1 1 1 -1  9  9  o 125.6154 0.7430060 8085.373   95.63865 7703.400  185.7000 8491.000   197.2000 122.5930 1.478250  128.7069 1.495226  -6.113876      2.102599  
1 1 1 -1  9  10 o 110.0043 0.6712023 6200.540   75.65916 6601.400  161.3000 5846.400   142.5000 113.4867 1.387047  106.8026 1.302072  6.684105       1.902443  
1 1 1 -1  9  11 o 60.36027 0.4233328 1866.763   26.18373 2079.300  57.90000 1691.300   47.80000 63.69921 0.8870461 57.45030 0.8119648 6.248905       1.202555  
1 1 1 -1  9  12 o 123.3902 0.7507331 7801.774   94.92151 7617.200  188.7000 7988.600   191.0000 121.8947 1.510736  124.8319 1.493171  -2.937157      2.124119  
1 1 1 -1  9  13 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -1  9  14 o 135.3975 0.8178161 9394.492   113.4657 9256.500  224.9000 9535.000   229.0000 134.3608 1.633497  136.3667 1.638810  -2.005936      2.313874  
1 1 1 -1  9  15 o 83.99783 0.5600867 3615.308   48.20828 3773.100  101.4000 3472.300   91.90000 85.79823 1.153350  82.30896 1.089607  3.489265       1.586651  
1 1 1 -1  9  16 o 159.8309 0.9308904 13092.06   152.4606 13344.30  309.9000 12847.80   300.1000 161.2962 1.874990  158.2694 1.850422  3.026840       2.634321  
1 1 1 -1  9  17 o 44.73386 0.3653241 1025.321   16.74607 901.3000  30.80000 1173.100   36.70000 41.93863 0.7167010 47.84580 0.7485552 -5.907169      1.036337  
1 1 1 -1  9  18 o 54.84415 0.4062184 1541.180   22.82907 1560.300  47.80000 1523.700   43.70000 55.17817 0.8454000 54.52812 0.7821005 0.6500473      1.151687  
1 1 1 -1  9  19 o 83.00161 0.5529507 3530.116   47.02961 3212.100  84.60000 3928.200   105.9000 79.16365 1.042908  87.53954 1.180574  -8.375893      1.575250  
1 1 1 -1  9  20 o 107.4360 0.6703181 5914.831   73.79539 6086.900  152.6000 5753.700   142.9000 108.9582 1.366773  105.9367 1.316398  3.021454       1.897623  
1 1 1 -1  9  21 o 31.04839 0.3802348 493.9391   12.09733 419.3000  22.70000 579.1000   25.90000 28.59321 0.7754712 33.61555 0.7519019 -5.022333      1.080144  
1 1 1 -1  9  22 o 25.94134 0.3696060 344.8119   9.824936 310.3000  19.60000 379.5000   19.70000 24.59373 0.7787192 27.20330 0.7073182 -2.609564      1.051999  
1 1 1 -1  9  23 o 57.59259 0.4963969 1699.654   29.29504 1709.400  66.60000 1692.000   52.30000 57.74129 1.125614  57.45421 0.8883446 0.2870827      1.433932  
1 1 1 -1  9  24 o 36.11066 0.4144008 668.1717   15.33396 728.2000  37.80000 627.2000   25.80000 37.67543 0.9799502 34.98205 0.7197407 2.693382       1.215866  
1 1 1 -1  9  25 o 49.12045 0.4337359 1236.393   21.83163 1145.500  47.50000 1313.700   40.40000 47.26626 0.9807177 50.62460 0.7787918 -3.358345      1.252327  
1 1 1 -1  9  26 o 85.79483 0.6330051 3772.734   55.65020 3802.100  126.6000 3749.700   99.30000 86.06017 1.435599  85.49659 1.133449  0.5635757      1.829112  
1 1 1 -1  9  27 o 34.18613 0.4515566 598.9259   15.81833 609.7000  31.00000 587.7000   32.30000 34.46952 0.8783794 33.83811 0.9324214 0.6314087      1.281000  
1 1 1 -1  9  28 o 41.46717 0.4964325 881.3125   21.09419 911.7000  41.50000 849.9000   42.90000 42.15565 0.9607137 40.68484 1.029854  1.470802       1.408392  
1 1 1 -1  9  29 o 8.857894 0.9348051 40.70358   8.357143 63.90000  18.00000 20.60000   15.60000 11.02460 1.643492  6.420128 2.078068  4.604473       2.649421  
1 1 1 -1  10 1  o 37.67562 0.5128690 0.000000   0.000000 ?         ?        727.3000   19.80000 ?        ?         37.67562 0.5128690 0.000000       0.5128690 
1 1 1 -1  10 2  o 173.9718 1.452294  0.000000   0.000000 ?         ?        15514.00   258.9000 ?        ?         173.9718 1.452294  0.000000       1.452294  
1 1 1 -1  10 3  o 103.7781 0.9196762 0.000000   0.000000 ?         ?        5519.000   97.80000 ?        ?         103.7781 0.9196762 0.000000       0.9196762 
1 1 1 -1  10 4  o 150.5492 1.466924  0.000000   0.000000 ?         ?        11618.20   226.3000 ?        ?         150.5492 1.466924  0.000000       1.466924  
1 1 1 -1  10 5  o 32.35806 0.5941353 0.000000   0.000000 ?         ?        536.5000   19.70000 ?        ?         32.35806 0.5941353 0.000000       0.5941353 
1 1 1 -1  10 6  f 121.5163 0.7812317 7566.644   97.27755 7390.400  267.1000 7667.600   153.0000 120.0313 2.171606  122.3108 1.220754  -2.279503      2.491207  
1 1 1 -1  10 7  o 13.32443 0.5516555 91.12633   7.515790 105.4000  20.40000 82.80000   11.90000 14.26938 1.413733  12.67760 0.9223430 1.591783       1.688004  
1 1 1 -1  10 8  o 58.97492 0.4860287 1782.098   29.37160 1900.900  73.10000 1702.300   49.10000 60.89938 1.171402  57.63579 0.8313633 3.263588       1.436436  
1 1 1 -1  10 9  o 96.53886 0.6939865 4775.657   68.65175 4745.300  163.2000 4797.700   118.5000 96.20022 1.655563  96.74821 1.195300  -0.5479889     2.041968  
1 1 1 -1  10 10 o 93.28451 0.5834678 4458.934   55.77310 4396.400  110.9000 4522.200   112.2000 92.61406 1.168574  93.92984 1.165711  -1.315781      1.650590  
1 1 1 -1  10 11 o 103.1935 0.6354424 5456.655   67.19346 5222.400  130.6000 5704.900   138.4000 100.9359 1.262697  105.4950 1.280283  -4.559052      1.798201  
1 1 1 -1  10 12 o 36.78669 0.3461142 693.3717   13.04694 575.9000  25.70000 814.5000   26.50000 33.52364 0.7481412 39.86875 0.6486566 -6.345112      0.9901872 
1 1 1 -1  10 13 o 78.30366 0.5079499 3141.731   40.75692 3002.700  77.80000 3294.700   85.60000 76.54243 0.9919253 80.17650 1.041905  -3.634064      1.438570  
1 1 1 -1  10 14 o 129.4171 0.7704431 8582.977   102.1717 8630.300  207.8000 8537.200   201.0000 129.7334 1.563131  129.0346 1.520168  0.6988068      2.180433  
1 1 1 -1  10 15 o 162.8699 0.9465789 13595.17   157.9778 14295.10  334.2000 12967.70   299.6000 166.9257 1.953822  158.9987 1.838865  7.926926       2.683066  
1 1 1 -1  10 16 o 152.6331 0.9048914 11939.71   141.5284 11636.50  279.6000 12250.50   286.6000 150.6159 1.811623  154.5387 1.809842  -3.922745      2.560763  
1 1 1 -1  10 17 o 128.3820 0.7695875 8446.457   101.2420 8576.100  204.3000 8319.100   200.7000 129.3198 1.541718  127.3677 1.537764  1.952087       2.177524  
1 1 1 -1  10 18 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -1  10 19 o 128.4433 0.7771135 8454.918   102.2808 8362.500  201.8000 8549.900   207.4000 127.6883 1.542310  129.1088 1.567669  -1.420502      2.199160  
1 1 1 -1  10 20 o 152.6504 0.9014666 11943.88   141.0087 12715.20  301.5000 11266.20   264.9000 157.3939 1.869395  148.1717 1.744690  9.222214       2.557065  
1 1 1 -1  10 21 o 62.59656 0.4637241 2007.808   29.74462 1962.000  60.30000 2052.400   58.70000 61.86631 0.9511844 63.27704 0.9053022 -1.410732      1.313135  
1 1 1 -1  10 22 o 26.84491 0.3740051 369.2604   10.28816 439.5000  22.30000 309.1000   19.10000 29.27355 0.7440177 24.54562 0.7603001 4.727930       1.063776  
1 1 1 -1  10 23 f 60.75328 0.4325854 1891.345   26.93022 1988.400  57.70000 1806.400   50.50000 62.27740 0.9041635 59.36180 0.8302061 2.915604       1.227499  
1 1 1 -1  10 24 f 17.05757 0.4652747 149.2151   8.124923 186.5000  16.20000 111.7000   16.30000 19.05477 0.8316875 14.71716 1.088555  4.337612       1.369911  
1 1 1 -1  10 25 o 16.00018 0.5283098 131.3500   8.650000 138.9000  17.30000 123.8000   17.30000 16.42278 1.033256  15.49518 1.096644  0.9275942      1.506734  
1 1 1 -1  10 26 o 31.17666 0.4059916 498.1113   12.97015 479.6000  22.00000 524.7000   31.60000 30.58496 0.7019666 31.96648 0.9658112 -1.381529      1.193963  
1 1 1 -1  10 27 o 71.74561 0.9725509 2641.300   71.50000 2641.300  71.50000 ?          ?        71.74561 0.9725509 ?        ?         0.000000       0.9725509 
1 1 1 -1  11 1  o 163.6098 1.348034  0.000000   0.000000 ?         ?        13722.40   226.0000 ?        ?         163.6098 1.348034  0.000000       1.348034  
1 1 1 -1  11 2  o 103.0312 0.9026636 0.000000   0.000000 ?         ?        5440.200   95.30000 ?        ?         103.0312 0.9026636 0.000000       0.9026636 
1 1 1 -1  11 3  o 77.19350 0.7104888 0.000000   0.000000 ?         ?        3053.500   56.20000 ?        ?         77.19350 0.7104888 0.000000       0.7104888 
1 1 1 -1  11 4  o 74.36443 0.7191458 0.000000   0.000000 ?         ?        2833.800   54.80000 ?        ?         74.36443 0.7191458 0.000000       0.7191458 
1 1 1 -1  11 5  o 50.43447 0.6288652 0.000000   0.000000 ?         ?        1303.400   32.50000 ?        ?         50.43447 0.6288652 0.000000       0.6288652 
1 1 1 -1  11 6  o 178.4825 1.679683  0.000000   0.000000 ?         ?        16336.30   307.2000 ?        ?         178.4825 1.679683  0.000000       1.679683  
1 1 1 -1  11 7  o 37.20796 0.5979992 0.000000   0.000000 ?         ?        709.4000   22.80000 ?        ?         37.20796 0.5979992 0.000000       0.5979992 
1 1 1 -1  11 8  o 182.6242 1.091452  17094.61   204.2497 17487.50  571.0000 16875.80   318.0000 184.4650 3.020812  181.3988 1.710781  3.066284       3.471610  
1 1 1 -1  11 9  f 180.2540 1.076015  16653.66   198.7474 16952.30  560.3000 16489.50   308.0000 181.6179 3.010673  179.3128 1.676259  2.305161       3.445866  
1 1 1 -1  11 10 o 35.82555 0.3875892 657.6226   14.22862 572.9000  31.00000 729.5000   26.30000 33.42212 0.9060041 37.73058 0.6802426 -4.308468      1.132949  
1 1 1 -1  11 11 o 82.28078 0.5945912 3469.126   50.13203 3193.400  116.5000 3677.400   88.00000 78.91900 1.440609  84.70451 1.013860  -5.785507      1.761608  
1 1 1 -1  11 12 o 112.8739 0.7796066 6529.086   90.17110 6893.200  226.3000 6287.900   149.9000 115.9142 1.905239  110.7463 1.320912  5.167854       2.318350  
1 1 1 -1  11 13 o 21.90181 0.4099539 245.7854   9.200541 339.0000  19.40000 161.7000   17.50000 25.70944 0.7371561 17.73579 0.9665707 7.973642       1.215590  
1 1 1 -1  11 14 o 155.0013 0.9082000 12313.49   144.2498 12125.80  288.8000 12500.80   288.2000 153.7382 1.833230  156.1009 1.801732  -2.362671      2.570403  
1 1 1 -1  11 15 o 40.25799 0.3585117 830.4161   14.78951 674.3000  25.20000 1052.200   35.80000 36.27445 0.6779557 45.31179 0.7710339 -9.037334      1.026702  
1 1 1 -1  11 16 o 119.8115 0.7295731 7356.483   89.57064 7162.000  177.9000 7553.700   180.4000 118.1735 1.469120  121.3635 1.450607  -3.190010      2.064601  
1 1 1 -1  11 17 o 116.3295 0.7018753 6935.154   83.66586 6736.800  165.6000 7137.700   169.1000 114.6107 1.410058  117.9725 1.398828  -3.361847      1.986199  
1 1 1 -1  11 18 o 212.1553 1.216476  23079.93   264.4575 23657.60  540.3000 22526.10   518.0000 214.5215 2.457909  209.3408 2.414780  5.180725       3.445646  
1 1 1 -1  11 19 o 154.0641 0.9075981 12167.31   143.2826 11753.30  277.1000 12610.60   296.7000 151.3087 1.787205  156.7192 1.847553  -5.410522      2.570516  
1 1 1 -1  11 20 o 71.09364 0.5067457 2590.059   36.91639 2769.900  79.00000 2432.300   69.30000 73.49824 1.048943  68.87706 0.9818842 4.621178       1.436794  
1 1 1 -1  11 21 o 103.9107 0.6384313 5533.949   67.97868 5730.600  139.6000 5347.300   132.5000 105.6861 1.289048  102.0929 1.266549  3.593231       1.807150  
1 1 1 -1  11 22 o 158.6952 0.9317428 12914.09   151.5159 13058.40  305.4000 12772.00   300.7000 159.3752 1.870035  157.6202 1.861758  1.755066       2.638783  
1 1 1 -1  11 23 o 80.82767 0.5422344 3348.423   44.91026 3165.400  84.70000 3555.000   95.60000 78.54967 1.052303  83.23606 1.120851  -4.686386      1.537416  
1 1 1 -1  11 24 o 66.96120 0.4607983 2297.971   31.61786 2343.800  64.20000 2253.500   62.30000 67.59486 0.9268788 66.28078 0.9172803 1.314087       1.304035  
1 1 1 -1  11 25 o 28.07148 0.6327145 404.0000   18.20000 404.0000  18.20000 ?          ?        28.07148 0.6327145 ?        ?         0.000000       0.6327145 
1 1 1 -1  11 26 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -1  12 1  o 95.92878 0.8525046 0.000000   0.000000 ?         ?        4716.100   83.80000 ?        ?         95.92878 0.8525046 0.000000       0.8525046 
1 1 1 -1  12 2  o 44.67316 0.5220989 0.000000   0.000000 ?         ?        1022.600   23.90000 ?        ?         44.67316 0.5220989 0.000000       0.5220989 
1 1 1 -1  12 3  o 57.42721 0.5947740 0.000000   0.000000 ?         ?        1689.900   35.00000 ?        ?         57.42721 0.5947740 0.000000       0.5947740 
1 1 1 -1  12 4  o 135.3929 1.138841  0.000000   0.000000 ?         ?        9396.600   158.0000 ?        ?         135.3929 1.138841  0.000000       1.138841  
1 1 1 -1  12 5  o 93.12538 0.8488258 0.000000   0.000000 ?         ?        4444.500   81.00000 ?        ?         93.12538 0.8488258 0.000000       0.8488258 
1 1 1 -1  12 6  o 45.77348 0.5266046 0.000000   0.000000 ?         ?        1073.600   24.70000 ?        ?         45.77348 0.5266046 0.000000       0.5266046 
1 1 1 -1  12 7  o 145.2031 1.405335  0.000000   0.000000 ?         ?        10810.70   209.1000 ?        ?         145.2031 1.405335  0.000000       1.405335  
1 1 1 -1  12 8  o 74.66468 0.8025181 0.000000   0.000000 ?         ?        2857.000   61.40000 ?        ?         74.66468 0.8025181 0.000000       0.8025181 
1 1 1 -1  12 9  o 39.85197 0.3546360 813.7489   14.48208 799.7000  38.00000 822.4000   23.40000 39.50037 0.9388238 40.06162 0.5700185 -0.5612564     1.098322  
1 1 1 -1  12 10 o 38.35918 0.3637047 753.9302   14.29607 829.1000  41.90000 715.0000   21.70000 40.20553 1.017839  37.35420 0.5669202 2.851330       1.165073  
1 1 1 -1  12 11 o 91.19357 0.6178229 4261.567   57.73333 4556.100  173.2000 4114.300   86.60000 94.23389 1.793669  89.59408 0.9432791 4.639816       2.026580  
1 1 1 -1  12 12 o 19.16942 0.4821814 188.4117   9.463959 207.1000  23.60000 175.9000   15.80000 20.06586 1.152622  18.50703 0.8353007 1.558828       1.423470  
1 1 1 -1  12 13 o 2.834169 1.340940  -12.31937  10.31768 -11.20000 20.10000 -13.50000  21.20000 4.511264 2.038668  4.552278 2.071621  -0.4101372E-01 2.906506  
1 1 1 -1  12 14 f 54.89255 0.4560014 1543.992   25.64944 1666.100  65.40000 1465.200   42.20000 57.00546 1.119600  53.46793 0.7702305 3.537537       1.358955  
1 1 1 -1  12 15 o 71.17984 0.5378678 2596.311   39.23114 2703.100  96.30000 2522.900   66.20000 72.59922 1.294482  70.15474 0.9208789 2.444481       1.588616  
1 1 1 -1  12 16 o 37.78060 0.3567691 731.3781   13.81193 716.5000  26.80000 747.2000   28.50000 37.38995 0.6994900 38.18206 0.7284287 -0.7921104     1.009898  
1 1 1 -1  12 17 f 88.97905 0.5633799 4057.373   51.36740 3982.100  101.5000 4134.500   104.0000 88.11926 1.124079  89.78918 1.130345  -1.669922      1.594124  
1 1 1 -1  12 18 o 112.1135 0.6914449 6442.506   79.43536 6315.800  155.4000 6575.000   162.5000 110.9422 1.366961  113.1914 1.401011  -2.249260      1.957399  
1 1 1 -1  12 19 o 124.9697 0.7547297 8005.927   96.64835 7817.400  194.1000 8192.900   192.5000 123.3853 1.535196  126.3225 1.487139  -2.937241      2.137384  
1 1 1 -1  12 20 f 55.81362 0.4116236 1596.360   23.54175 1653.800  50.50000 1546.200   44.10000 56.79040 0.8677968 54.91613 0.7836828 1.874275       1.169286  
1 1 1 -1  12 21 o 13.95285 0.5799029 99.96193   8.273111 112.6000  16.80000 87.70000   16.30000 14.77046 1.118293  13.01181 1.237383  1.758647       1.667842  
1 1 1 -1  12 22 o 32.76750 0.4284347 550.2714   14.38554 618.4000  25.10000 458.8000   33.70000 34.72844 0.7053263 29.87653 1.102674  4.851910       1.308960  
1 1 1 -1  12 23 o 37.60563 0.7136437 725.2000   27.50000 725.2000  27.50000 ?          ?        37.60563 0.7136437 ?        ?         0.000000       0.7136437 
1 1 1 -1  12 24 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 -1  13 1  o 43.58475 0.5194635 0.000000   0.000000 ?         ?        973.4000   23.20000 ?        ?         43.58475 0.5194635 0.000000       0.5194635 
1 1 1 -1  13 2  o 129.8448 1.120611  0.000000   0.000000 ?         ?        8643.100   149.1000 ?        ?         129.8448 1.120611  0.000000       1.120611  
1 1 1 -1  13 3  o 48.30930 0.5656255 0.000000   0.000000 ?         ?        1195.900   28.00000 ?        ?         48.30930 0.5656255 0.000000       0.5656255 
1 1 1 -1  13 4  o 77.00180 0.7059207 0.000000   0.000000 ?         ?        3038.600   55.70000 ?        ?         77.00180 0.7059207 0.000000       0.7059207 
1 1 1 -1  13 5  o 14.14349 1.042313  0.000000   0.000000 ?         ?        103.1000   15.00000 ?        ?         14.14349 1.042313  0.000000       1.042313  
1 1 1 -1  13 6  o 114.4494 0.9874085 0.000000   0.000000 ?         ?        6714.400   115.8000 ?        ?         114.4494 0.9874085 0.000000       0.9874085 
1 1 1 -1  13 7  o 34.89928 0.4837614 0.000000   0.000000 ?         ?        624.1000   17.30000 ?        ?         34.89928 0.4837614 0.000000       0.4837614 
1 1 1 -1  13 8  o 57.47465 0.5976790 0.000000   0.000000 ?         ?        1692.800   35.20000 ?        ?         57.47465 0.5976790 0.000000       0.5976790 
1 1 1 -1  13 9  f 39.38544 0.5376822 0.000000   0.000000 ?         ?        794.9000   21.70000 ?        ?         39.38544 0.5376822 0.000000       0.5376822 
1 1 1 -1  13 10 o 105.7203 1.028321  0.000000   0.000000 ?         ?        5730.100   111.4000 ?        ?         105.7203 1.028321  0.000000       1.028321  
1 1 1 -1  13 11 o 91.87168 0.9230809 0.000000   0.000000 ?         ?        4326.800   86.90000 ?        ?         91.87168 0.9230809 0.000000       0.9230809 
1 1 1 -1  13 12 o 10.28087 0.7121428 54.43216   7.455949 39.40000  18.70000 64.40000   12.40000 8.587674 2.134334  11.15284 1.099297  -2.565163      2.400798  
1 1 1 -1  13 13 o 97.20727 0.6266382 4842.776   62.41860 4611.600  161.1000 4989.000   101.9000 94.77454 1.658844  98.64072 1.008137  -3.866188      1.941160  
1 1 1 -1  13 14 o 109.1028 0.7583401 6101.619   84.78093 6190.400  210.4000 6041.700   142.0000 109.7619 1.870663  108.5187 1.276984  1.243210       2.264966  
1 1 1 -1  13 15 o 64.21799 0.5009484 2113.397   32.96462 2228.000  81.40000 2035.400   55.40000 65.90011 1.205424  63.00791 0.8580573 2.892197       1.479632  
1 1 1 -1  13 16 o 43.90971 0.4086047 988.0156   18.38495 927.6000  41.20000 1036.700   33.20000 42.53023 0.9453686 44.97043 0.7204646 -2.440201      1.188609  
1 1 1 -1  13 17 o 101.0170 0.7292678 5231.553   75.48833 5284.400  178.7000 5192.900   130.7000 101.3805 1.720172  100.5791 1.268147  0.8013687      2.137098  
1 1 1 -1  13 18 o 32.82957 0.4662975 552.3664   15.68652 524.0000  27.80000 589.1000   36.00000 31.95325 0.8498006 33.86793 1.038554  -1.914679      1.341922  
1 1 1 -1  13 19 o 22.33625 0.4272003 255.6889   9.777779 282.8000  17.60000 221.8000   22.00000 23.47274 0.7326264 20.76329 1.037303  2.709454       1.269937  
1 1 1 -1  13 20 o 37.54159 0.3801098 722.2759   14.62245 739.9000  25.60000 698.8000   34.10000 37.98732 0.6576623 36.90495 0.9017195 1.082371       1.116072  
1 1 1 -1  13 21 o 36.66995 0.6999179 689.6000   26.30000 689.6000  26.30000 ?          ?        36.66995 0.6999179 ?        ?         0.000000       0.6999179 
1 1 1 -1  14 1  o 8.460182 1.248672  0.000000   0.000000 ?         ?        37.50000   10.50000 ?        ?         8.460182 1.248672  0.000000       1.248672  
1 1 1 -1  14 2  f 83.97224 0.7577282 0.000000   0.000000 ?         ?        3614.200   65.20000 ?        ?         83.97224 0.7577282 0.000000       0.7577282 
1 1 1 -1  14 3  o 81.72014 0.7415904 0.000000   0.000000 ?         ?        3422.900   62.10000 ?        ?         81.72014 0.7415904 0.000000       0.7415904 
1 1 1 -1  14 4  o 100.8188 0.8692336 0.000000   0.000000 ?         ?        5210.600   89.80000 ?        ?         100.8188 0.8692336 0.000000       0.8692336 
1 1 1 -1  14 5  o 82.74596 0.7536258 0.000000   0.000000 ?         ?        3509.500   63.90000 ?        ?         82.74596 0.7536258 0.000000       0.7536258 
1 1 1 -1  14 6  o 8.226168 1.249279  0.000000   0.000000 ?         ?        35.50000   10.20000 ?        ?         8.226168 1.249279  0.000000       1.249279  
1 1 1 -1  14 7  o 42.71017 0.5003967 0.000000   0.000000 ?         ?        934.8000   21.90000 ?        ?         42.71017 0.5003967 0.000000       0.5003967 
1 1 1 -1  14 8  f 68.35030 0.6339343 0.000000   0.000000 ?         ?        2394.400   44.40000 ?        ?         68.35030 0.6339343 0.000000       0.6339343 
1 1 1 -1  14 9  o 45.98501 0.5284266 0.000000   0.000000 ?         ?        1083.700   24.90000 ?        ?         45.98501 0.5284266 0.000000       0.5284266 
1 1 1 -1  14 10 o 80.15318 0.7305200 0.000000   0.000000 ?         ?        3293.300   60.00000 ?        ?         80.15318 0.7305200 0.000000       0.7305200 
1 1 1 -1  14 11 o 59.94687 0.6869856 0.000000   0.000000 ?         ?        1842.100   42.20000 ?        ?         59.94687 0.6869856 0.000000       0.6869856 
1 1 1 -1  14 12 o 13.84521 0.9718286 0.000000   0.000000 ?         ?        98.80000   13.70000 ?        ?         13.84521 0.9718286 0.000000       0.9718286 
1 1 1 -1  14 13 o 69.22997 0.7414694 0.000000   0.000000 ?         ?        2457.300   52.60000 ?        ?         69.22997 0.7414694 0.000000       0.7414694 
1 1 1 -1  14 14 o 4.922566 1.434597  12.67840   7.677469 61.20000  19.90000 -17.80000  12.50000 10.74926 1.874799  2.984736 1.429874  7.764520       2.357840  
1 1 1 -1  14 15 o 52.37151 0.4411293 1405.691   23.67333 1345.000  53.60000 1453.700   42.40000 51.19475 1.021741  53.24143 0.7771732 -2.046680      1.283726  
1 1 1 -1  14 16 o 30.51755 0.3769190 477.2815   11.78681 540.3000  28.30000 432.3000   20.20000 32.44230 0.8520255 29.03590 0.6789187 3.406399       1.089439  
1 1 1 -1  14 17 f 17.71185 0.4863434 160.9227   8.818487 181.0000  19.80000 144.8000   15.90000 18.74824 1.034650  16.77201 0.9287797 1.976227       1.390372  
1 1 1 -1  14 18 f 42.88148 0.4995122 942.6025   21.94897 979.3000  43.60000 905.4000   44.20000 43.67716 0.9741678 41.99232 1.027198  1.684837       1.415676  
1 1 1 -1  15 1  o 17.40567 0.6346247 0.000000   0.000000 ?         ?        155.5000   11.30000 ?        ?         17.40567 0.6346247 0.000000       0.6346247 
1 1 1 -1  15 2  o 34.03290 0.4989442 0.000000   0.000000 ?         ?        593.6000   17.40000 ?        ?         34.03290 0.4989442 0.000000       0.4989442 
1 1 1 -1  15 3  o 57.50158 0.5617587 0.000000   0.000000 ?         ?        1694.700   33.10000 ?        ?         57.50158 0.5617587 0.000000       0.5617587 
1 1 1 -1  15 4  o 40.03826 0.5142910 0.000000   0.000000 ?         ?        821.6000   21.10000 ?        ?         40.03826 0.5142910 0.000000       0.5142910 
1 1 1 -1  15 5  o 45.53899 0.5314592 0.000000   0.000000 ?         ?        1062.900   24.80000 ?        ?         45.53899 0.5314592 0.000000       0.5314592 
1 1 1 -1  15 6  o 25.84584 0.6764526 0.000000   0.000000 ?         ?        342.7000   17.90000 ?        ?         25.84584 0.6764526 0.000000       0.6764526 
1 1 1 -1  15 7  o 60.67278 0.5919098 0.000000   0.000000 ?         ?        1887.000   36.80000 ?        ?         60.67278 0.5919098 0.000000       0.5919098 
1 1 1 -1  15 8  o 72.04903 0.7842455 0.000000   0.000000 ?         ?        2662.100   57.90000 ?        ?         72.04903 0.7842455 0.000000       0.7842455 
1 1 1 -1  15 9  f 74.77232 0.7843957 0.000000   0.000000 ?         ?        2867.300   60.10000 ?        ?         74.77232 0.7843957 0.000000       0.7843957 
1 1 1 -1  15 10 o 28.28476 0.6624459 0.000000   0.000000 ?         ?        410.2000   19.20000 ?        ?         28.28476 0.6624459 0.000000       0.6624459 
1 1 1 -1  15 11 o 53.54791 0.7964170 0.000000   0.000000 ?         ?        1470.800   43.70000 ?        ?         53.54791 0.7964170 0.000000       0.7964170 
1 1 1 -1  15 12 o 25.43072 0.6913829 0.000000   0.000000 ?         ?        331.9000   18.00000 ?        ?         25.43072 0.6913829 0.000000       0.6913829 
1 1 1 -1  15 13 o 38.23011 0.6611437 0.000000   0.000000 ?         ?        749.5000   25.90000 ?        ?         38.23011 0.6611437 0.000000       0.6611437 
1 1 1 -1  15 14 o 59.56232 0.7880886 0.000000   0.000000 ?         ?        1820.100   48.10000 ?        ?         59.56232 0.7880886 0.000000       0.7880886 
1 1 1 -1  16 1  o 23.72394 1.055708  0.000000   0.000000 ?         ?        289.6000   25.60000 ?        ?         23.72394 1.055708  0.000000       1.055708  
1 1 1 -1  16 2  o 65.91225 1.255542  0.000000   0.000000 ?         ?        2233.200   84.80000 ?        ?         65.91225 1.255542  0.000000       1.255542  
1 1 1 -1  16 3  o 58.06400 0.8185093 0.000000   0.000000 ?         ?        1729.800   48.70000 ?        ?         58.06400 0.8185093 0.000000       0.8185093 
1 1 1 -1  16 4  o 42.63803 0.6866346 0.000000   0.000000 ?         ?        932.4000   30.00000 ?        ?         42.63803 0.6866346 0.000000       0.6866346 
1 1 1 -1  16 5  o 49.11048 0.9955548 0.000000   0.000000 ?         ?        1238.400   50.10000 ?        ?         49.11048 0.9955548 0.000000       0.9955548 
1 1 1 -1  16 6  o 10.23899 2.044570  0.000000   0.000000 ?         ?        56.10000   20.70000 ?        ?         10.23899 2.044570  0.000000       2.044570  
1 1 1 -1  16 7  o 39.47034 0.9370656 0.000000   0.000000 ?         ?        799.8000   37.90000 ?        ?         39.47034 0.9370656 0.000000       0.9370656 
1 1 1 -1  16 8  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 0   0  1  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 0   0  2  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 0   0  3  o 129.4318 1.502387  8587.400   199.2000 8587.400  199.2000 8587.400   199.2000 129.4318 1.502387  129.4318 1.502387  0.000000       0.000000  
1 1 1 0   0  4  o 108.1758 1.275116  5998.400   141.3000 5998.400  141.3000 5998.400   141.3000 108.1758 1.275116  108.1758 1.275116  -0.000000      0.000000  
1 1 1 0   0  5  o 205.9013 2.368615  21734.40   499.6000 21734.40  499.6000 21734.40   499.6000 205.9013 2.368615  205.9013 2.368615  0.000000       0.000000  
1 1 1 0   0  6  o 73.92586 1.325015  2802.900   100.3000 2802.900  100.3000 2802.900   100.3000 73.92586 1.325015  73.92586 1.325015  -0.000000      0.000000  
1 1 1 0   0  7  f 285.8727 4.555839  41939.80   1333.800 41939.80  1333.800 41939.80   1333.800 285.8727 4.555839  285.8727 4.555839  0.000000       0.000000  
1 1 1 0   0  8  o 340.5817 5.388785  59565.40   1879.600 59565.40  1879.600 59565.40   1879.600 340.5817 5.388785  340.5817 5.388785  0.000000       0.000000  
1 1 1 0   0  9  o 275.8650 4.400786  39072.20   1243.300 39072.20  1243.300 39072.20   1243.300 275.8650 4.400786  275.8650 4.400786  0.000000       0.000000  
1 1 1 0   0  10 o 38.06962 0.9549572 744.0000   37.20000 744.0000  37.20000 744.0000   37.20000 38.06962 0.9549572 38.06962 0.9549572 -0.000000      0.000000  
1 1 1 0   0  11 o 5.943842 2.057756  23.60000   11.30000 23.60000  11.30000 23.60000   11.30000 5.943842 2.057756  5.943842 2.057756  0.000000       0.000000  
1 1 1 0   0  12 f 98.80063 1.950523  5008.100   197.3000 5008.100  197.3000 5008.100   197.3000 98.80063 1.950523  98.80063 1.950523  0.000000       0.000000  
1 1 1 0   0  13 o 251.2163 4.382582  32386.10   1127.400 32386.10  1127.400 32386.10   1127.400 251.2163 4.382582  251.2163 4.382582  0.000000       0.000000  
1 1 1 0   0  14 o 395.3965 6.320089  80264.00   2559.200 80264.00  2559.200 80264.00   2559.200 395.3965 6.320089  395.3965 6.320089  0.000000       0.000000  
1 1 1 0   0  15 o 409.8573 6.551907  86254.70   2750.100 86254.70  2750.100 86254.70   2750.100 409.8573 6.551907  409.8573 6.551907  0.000000       0.000000  
1 1 1 0   0  16 o 193.9535 3.258509  19297.20   647.2000 19297.20  647.2000 19297.20   647.2000 193.9535 3.258509  193.9535 3.258509  0.000000       0.000000  
1 1 1 0   0  17 o 124.2774 2.304934  7923.000   293.3000 7923.000  293.3000 7923.000   293.3000 124.2774 2.304934  124.2774 2.304934  0.000000       0.000000  
1 1 1 0   0  18 o 242.2484 2.823617  30089.80   700.7000 30089.80  700.7000 30089.80   700.7000 242.2484 2.823617  242.2484 2.823617  -0.000000      0.000000  
1 1 1 0   0  19 o 200.0859 2.471722  20527.90   506.6000 20527.90  506.6000 20527.90   506.6000 200.0859 2.471722  200.0859 2.471722  0.000000       0.000000  
1 1 1 0   0  20 o 156.7248 1.975220  12594.10   317.1000 12594.10  317.1000 12594.10   317.1000 156.7248 1.975220  156.7248 1.975220  0.000000       0.000000  
1 1 1 0   0  21 o 55.95124 0.9337236 1605.400   53.50000 1605.400  53.50000 1605.400   53.50000 55.95124 0.9337236 55.95124 0.9337236 0.000000       0.000000  
1 1 1 0   0  22 o 137.7491 1.794496  9730.100   253.2000 9730.100  253.2000 9730.100   253.2000 137.7491 1.794496  137.7491 1.794496  0.000000       0.000000  
1 1 1 0   0  23 o 53.37727 0.9788780 1461.400   53.50000 1461.400  53.50000 1461.400   53.50000 53.37727 0.9788780 53.37727 0.9788780 0.000000       0.000000  
1 1 1 0   0  24 o 114.9853 1.534235  6779.800   180.7000 6779.800  180.7000 6779.800   180.7000 114.9853 1.534235  114.9853 1.534235  0.000000       0.000000  
1 1 1 0   0  25 o 105.8893 1.427245  5749.500   154.8000 5749.500  154.8000 5749.500   154.8000 105.8893 1.427245  105.8893 1.427245  0.000000       0.000000  
1 1 1 0   0  26 o 141.3732 1.735300  10249.20   251.3000 10249.20  251.3000 10249.20   251.3000 141.3732 1.735300  141.3732 1.735300  0.000000       0.000000  
1 1 1 0   0  27 o 21.94241 0.9153712 248.0000   20.50000 248.0000  20.50000 248.0000   20.50000 21.94241 0.9153712 21.94241 0.9153712 0.000000       0.000000  
1 1 1 0   0  28 o 2.107688 1.512214  -25.70000  15.50000 -25.70000 15.50000 -25.70000  15.50000 2.107688 1.512214  2.107688 1.512214  0.000000       0.000000  
1 1 1 0   0  29 o 11.50154 1.385387  70.70000   15.70000 70.70000  15.70000 70.70000   15.70000 11.50154 1.385387  11.50154 1.385387  0.000000       0.000000  
1 1 1 0   0  30 o 14.11142 1.210819  104.3000   17.20000 104.3000  17.20000 104.3000   17.20000 14.11142 1.210819  14.11142 1.210819  0.000000       0.000000  
1 1 1 0   0  31 o 144.1857 1.800323  10668.00   265.9000 10668.00  265.9000 10668.00   265.9000 144.1857 1.800323  144.1857 1.800323  0.000000       0.000000  
1 1 1 0   0  32 f 22.63136 0.8827282 263.7000   20.40000 263.7000  20.40000 263.7000   20.40000 22.63136 0.8827282 22.63136 0.8827282 0.000000       0.000000  
1 1 1 0   0  33 o 34.15337 0.7551821 598.7000   26.40000 598.7000  26.40000 598.7000   26.40000 34.15337 0.7551821 34.15337 0.7551821 0.000000       0.000000  
1 1 1 0   0  34 o 45.99498 0.7855588 1085.300   37.00000 1085.300  37.00000 1085.300   37.00000 45.99498 0.7855588 45.99498 0.7855588 -0.000000      0.000000  
1 1 1 0   1  1  o 199.1419 2.183166  20325.70   445.5000 20325.70  445.5000 ?          ?        199.1419 2.183166  ?        ?         0.000000       2.183166  
1 1 1 0   1  2  o 47.20028 0.3553530 1141.462   17.18711 1264.200  47.60000 1072.100   26.90000 49.67179 0.9351876 45.74337 0.5738861 3.928413       1.097233  
1 1 1 0   1  3  o 114.6809 0.7864265 6738.615   92.41613 7344.000  248.6000 6380.400   147.1000 119.7062 2.026684  111.5870 1.286474  8.119293       2.400513  
1 1 1 0   1  4  o 169.7821 1.151910  14770.48   200.4052 14635.80  494.0000 14862.40   337.2000 168.9642 2.853211  170.2946 1.932361  -1.330429      3.445988  
1 1 1 0   1  5  o 309.1183 2.003140  48971.70   634.5040 47885.30  1496.600 49771.30   1101.500 305.4600 4.781378  311.5418 3.450402  -6.081879      5.896342  
1 1 1 0   1  6  o 88.33370 0.6443626 3997.931   58.32505 4037.900  143.0000 3970.400   98.50000 88.76707 1.572120  88.02637 1.092006  0.7406998      1.914168  
1 1 1 0   1  7  o 246.4701 1.653902  31131.77   417.7075 31265.10  1020.000 31039.30   707.4000 246.8472 4.032493  246.0470 2.805748  0.8002319      4.912558  
1 1 1 0   1  8  o 116.9072 0.8578377 7003.039   102.7649 7045.100  250.6000 6973.800   174.2000 117.2341 2.086070  116.6538 1.457306  0.5802307      2.544687  
1 1 1 0   1  9  o 168.5389 1.179371  14556.40   203.6802 14050.90  468.9000 14944.60   360.1000 165.5138 2.764697  170.7373 2.058241  -5.223465      3.446724  
1 1 1 0   1  10 o 87.67452 0.8081179 3938.731   72.60165 3745.000  138.0000 4153.800   153.2000 85.47983 1.575495  90.02266 1.660766  -4.542831      2.289177  
1 1 1 0   1  11 o 182.5385 1.506516  17076.45   281.7908 16552.60  550.5000 17625.80   577.3000 179.6440 2.990517  185.3729 3.039184  -5.728912      4.263782  
1 1 1 0   1  12 o 229.2636 1.985754  26939.62   466.5077 26131.50  949.6000 27720.00   917.0000 225.6686 4.106494  232.4476 3.849868  -6.779022      5.628924  
1 1 1 0   1  13 o 90.44249 0.8684903 4191.179   80.48888 4354.200  169.1000 4043.100   153.6000 92.17685 1.790290  88.82398 1.687573  3.352867       2.460293  
1 1 1 0   1  14 o 95.78867 0.9067218 4701.317   88.99930 4659.500  178.5000 4742.900   177.5000 95.35404 1.826841  96.20392 1.800559  -0.8498764     2.565026  
1 1 1 0   1  15 o 405.0112 2.668787  84083.40   1107.591 85395.00  1923.900 82303.80   2610.400 407.9652 4.602152  400.2537 6.364632  7.711517       7.854193  
1 1 1 0   1  16 o 345.4734 2.292178  61173.25   811.4494 60786.30  1382.500 61723.10   1964.500 344.2542 3.919111  346.7075 5.529558  -2.453339      6.777569  
1 1 1 0   1  17 o 121.7166 0.9362316 7590.982   116.7700 7086.500  184.8000 8456.900   317.2000 117.5957 1.533600  128.4464 2.409976  -10.85072      2.856556  
1 1 1 0   1  18 o 289.4909 1.949144  42952.26   578.1989 42915.90  988.5000 43003.50   1393.000 289.2734 3.334800  289.4268 4.696930  -0.1533508     5.760386  
1 1 1 0   1  19 o 157.2580 1.131016  12672.33   182.2552 12221.20  302.5000 13356.10   458.5000 154.4129 1.911804  161.3870 2.772506  -6.974030      3.367756  
1 1 1 0   1  20 o 90.15398 0.7237950 4164.571   66.86501 4123.700  116.8000 4219.300   156.4000 89.70360 1.270675  90.72965 1.682245  -1.026054      2.108213  
1 1 1 0   1  21 o 114.1516 0.7629876 6676.942   89.24790 7014.400  188.5000 6373.500   169.5000 116.9811 1.572524  111.5116 1.483377  5.469521       2.161768  
1 1 1 0   1  22 o 56.93992 0.4648626 1661.203   27.12313 1577.800  53.80000 1746.000   54.70000 55.48803 0.9462036 58.37115 0.9145148 -2.883121      1.315917  
1 1 1 0   1  23 o 156.0376 0.9766518 12477.50   156.1591 12163.80  309.2000 12797.60   315.5000 154.0095 1.959267  157.9717 1.949044  -3.962173      2.763603  
1 1 1 0   1  24 o 203.2005 1.218830  21163.46   253.7852 20866.90  498.2000 21471.40   517.3000 201.6578 2.410962  204.5505 2.467991  -2.892685      3.450177  
1 1 1 0   1  25 o 138.9085 0.8817183 9888.253   125.5039 9514.300  238.5000 10303.60   264.9000 136.2162 1.708682  141.7459 1.823783  -5.529678      2.499155  
1 1 1 0   1  26 o 15.22909 0.5308428 118.9816   8.271299 141.6000  16.90000 97.30000   16.20000 16.59201 0.9986286 13.72893 1.162459  2.863089       1.532505  
1 1 1 0   1  27 o 140.2487 0.8873118 10080.37   127.5186 9613.000  240.3000 10608.80   271.7000 136.9115 1.712835  143.8172 1.843658  -6.905762      2.516521  
1 1 1 0   1  28 o 127.9785 0.8186589 8393.654   107.3589 8529.000  219.0000 8263.500   210.6000 128.9560 1.657312  126.9360 1.619106  2.020035       2.316935  
1 1 1 0   1  29 o 8.631711 1.059983  38.76701   9.178891 29.30000  15.60000 52.30000   22.30000 7.431787 2.003322  9.896338 2.250120  -2.464551      3.012697  
1 1 1 0   1  30 o 15.88591 0.5905781 129.5015   9.596907 134.3000  21.40000 125.6000   17.40000 16.13013 1.305883  15.61373 1.094469  0.5163946      1.703875  
1 1 1 0   1  31 o 81.32202 0.5614902 3389.045   46.78953 3565.800  95.00000 3217.500   92.20000 83.38975 1.111764  79.21100 1.135918  4.178749       1.589443  
1 1 1 0   1  32 o 57.37067 0.4558140 1686.664   26.79637 1751.800  56.10000 1627.100   51.30000 58.45054 0.9366471 56.33396 0.8886868 2.116581       1.291151  
1 1 1 0   1  33 o 13.85183 0.5392204 98.48795   7.639088 95.60000  14.30000 101.8000   16.40000 13.61258 1.032882  14.03844 1.150132  -0.4258556     1.545849  
1 1 1 0   1  34 o 60.15826 0.5374867 1854.942   33.13305 1850.000  54.80000 1862.500   83.80000 60.05737 0.8904631 60.21667 1.358091  -0.1593094     1.623988  
1 1 1 0   2  0  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 0   2  1  o 159.2969 1.801115  0.000000   0.000000 ?         ?        13004.30   294.0000 ?        ?         159.2969 1.801115  0.000000       1.801115  
1 1 1 0   2  2  o 147.8818 1.692018  0.000000   0.000000 ?         ?        11207.00   256.4000 ?        ?         147.8818 1.692018  0.000000       1.692018  
1 1 1 0   2  3  o 234.1461 1.530700  28094.22   367.2615 28764.10  921.1000 27650.00   610.8000 236.8161 3.795746  232.2513 2.566507  4.564774       4.581992  
1 1 1 0   2  4  o 386.6033 2.480136  76611.84   982.5156 74462.50  2328.900 78180.30   1699.500 380.7297 5.969469  390.3702 4.248603  -9.640472      7.327018  
1 1 1 0   2  5  o 83.13894 0.6276998 3541.530   53.47550 3445.000  132.2000 3607.100   89.80000 81.99123 1.573496  83.90270 1.044484  -1.911469      1.888607  
1 1 1 0   2  6  o 102.7593 0.7487624 5410.437   78.84304 4797.900  172.1000 5928.300   145.5000 96.75692 1.735803  107.5589 1.320134  -10.80202      2.180772  
1 1 1 0   2  7  o 267.2223 1.772537  36598.49   485.3628 36698.50  1204.600 36531.00   812.9000 267.3504 4.397073  266.8927 2.972365  0.4577026      5.307467  
1 1 1 0   2  8  o 312.4093 2.066903  50034.95   661.6716 51694.30  1661.400 48936.70   1099.600 317.0673 5.113572  308.7948 3.475093  8.272522       6.182628  
1 1 1 0   2  9  o 110.9945 0.8216155 6312.695   93.44765 6147.700  219.0000 6435.500   163.0000 109.5087 1.951628  112.0577 1.419540  -2.548950      2.413285  
1 1 1 0   2  10 o 86.94716 0.7020600 3873.535   62.55010 3738.000  146.6000 3974.400   109.1000 85.39938 1.675255  88.06626 1.208974  -2.666885      2.065937  
1 1 1 0   2  11 o 159.9695 0.9801945 13112.49   160.6748 12924.50  321.0000 13300.90   321.7000 158.7948 1.972742  161.0913 1.948860  -2.296463      2.773043  
1 1 1 0   2  12 o 253.5350 1.470953  32939.50   382.1511 32387.60  758.3000 33500.20   770.4000 251.3388 2.944307  255.6196 2.941195  -4.280807      4.161679  
1 1 1 0   2  13 o 119.8946 0.7623816 7365.188   93.66348 7228.100  183.7000 7507.800   191.1000 118.7669 1.509438  121.0426 1.540721  -2.275719      2.156901  
1 1 1 0   2  14 o 231.5314 1.565346  27469.92   371.3800 28260.60  651.7000 26422.40   863.4000 234.8024 2.708612  226.9900 3.711991  7.812393       4.595156  
1 1 1 0   2  15 o 337.2560 2.234135  58296.05   772.0889 58717.50  1332.400 57715.30   1836.000 338.3573 3.842914  335.2960 5.343747  3.061310       6.582068  
1 1 1 0   2  16 o 325.9078 2.172718  54439.23   725.5987 52962.50  1205.800 56670.60   1822.000 321.3522 3.661808  332.2215 5.352075  -10.86929      6.484870  
1 1 1 0   2  17 o 126.8580 0.9295613 8245.848   120.8354 8275.400  207.2000 8204.500   289.9000 127.0763 1.591208  126.5177 2.236138  0.5585632      2.744495  
1 1 1 0   2  18 o 128.1794 0.9477630 8418.653   124.4848 8075.400  202.0000 8969.900   324.4000 125.5295 1.570389  132.2783 2.393281  -6.748833      2.862502  
1 1 1 0   2  19 o 240.9099 1.623080  29745.29   400.6756 29339.90  671.3000 30345.50   993.9000 239.1912 2.738880  243.1302 3.989379  -3.939041      4.839072  
1 1 1 0   2  20 o 153.5579 1.112536  12083.56   175.0591 12343.80  301.1000 11722.10   418.2000 155.1748 1.893613  151.1739 2.699659  4.000931       3.297564  
1 1 1 0   2  21 o 109.4056 0.8218311 6133.435   92.13411 6161.100  157.6000 6094.500   221.8000 109.6384 1.402798  109.0235 1.985376  0.6148834      2.430959  
1 1 1 0   2  22 o 45.05788 0.5103706 1040.246   23.56432 1179.900  43.30000 873.5000   51.70000 47.98434 0.8806230 41.26495 1.224027  6.719387       1.507892  
1 1 1 0   2  23 o 222.0797 1.516495  25283.37   345.1025 25427.50  595.2000 25084.50   821.3000 222.5866 2.609549  220.9056 3.628246  1.681046       4.469219  
1 1 1 0   2  24 o 58.26341 0.4725953 1739.347   28.21523 1846.300  57.50000 1636.300   55.40000 60.02276 0.9348749 56.50592 0.9567919 3.516846       1.337700  
1 1 1 0   2  25 o 122.4800 0.7776332 7687.291   97.59743 7637.000  194.2000 7738.100   196.2000 122.0474 1.552824  122.8523 1.558537  -0.8048782     2.200068  
1 1 1 0   2  26 o 93.39193 0.6411285 4469.318   61.35540 4127.500  110.6000 4895.200   137.8000 89.73541 1.202798  97.71833 1.376179  -7.982918      1.827729  
1 1 1 0   2  27 o 43.62039 0.4218867 974.9294   18.85748 969.5000  36.60000 980.7000   38.90000 43.49517 0.8211862 43.74512 0.8678040 -0.2499428     1.194751  
1 1 1 0   2  28 o 147.3244 0.9424039 11124.23   142.2690 11414.20  286.4000 10838.00   282.7000 149.1553 1.873855  145.3391 1.898213  3.816132       2.667310  
1 1 1 0   2  29 o 64.22729 0.5005956 2113.771   32.94617 2060.300  64.00000 2170.500   67.90000 63.39915 0.9851405 65.07159 1.018310  -1.672440      1.416848  
1 1 1 0   2  30 o 4.188022 1.496853  7.615337   8.125154 20.70000  17.20000 -4.100000  15.40000 6.545633 2.185308  4.221669 1.852949  2.323964       2.865134  
1 1 1 0   2  31 o 43.03289 0.3972466 948.8964   17.51698 971.6000  34.30000 925.2000   35.80000 43.53788 0.7688267 42.48426 0.8223497 1.053619       1.125768  
1 1 1 0   2  32 o 59.33646 0.4731748 1804.278   28.77011 1856.500  58.30000 1753.400   56.80000 60.16999 0.9455625 58.47525 0.9479336 1.694744       1.338905  
1 1 1 0   2  33 f 21.60633 0.8053810 239.7000   17.80000 239.7000  17.80000 ?          ?        21.60633 0.8053810 ?        ?         0.000000       0.8053810 
1 1 1 0   2  34 o 54.07443 0.5290866 1498.729   29.31684 1411.600  45.60000 1655.600   82.10000 52.46288 0.8482315 56.76572 1.411428  -4.302849      1.646701  
1 1 1 0   3  1  o 119.0246 1.374165  0.000000   0.000000 ?         ?        7259.500   167.6000 ?        ?         119.0246 1.374165  0.000000       1.374165  
1 1 1 0   3  2  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 0   3  3  o 424.3202 6.600238  0.000000   0.000000 ?         ?        92593.60   2869.800 ?        ?         424.3202 6.600238  0.000000       6.600238  
1 1 1 0   3  4  o 211.4453 2.406899  0.000000   0.000000 ?         ?        22919.30   521.5000 ?        ?         211.4453 2.406899  0.000000       2.406899  
1 1 1 0   3  5  o 309.2800 3.459229  0.000000   0.000000 ?         ?        49071.50   1096.300 ?        ?         309.2800 3.459229  0.000000       3.459229  
1 1 1 0   3  6  o 187.2073 1.279548  17959.92   245.4583 17914.30  602.3000 17991.30   414.3000 186.8711 3.145375  187.3347 2.158233  -0.4636383     3.814624  
1 1 1 0   3  7  o 94.16456 0.6927476 4543.323   66.84376 4062.700  149.5000 4932.000   120.9000 89.03039 1.638719  98.10284 1.202670  -9.072456      2.032687  
1 1 1 0   3  8  o 251.4844 1.431369  32413.19   368.8596 31787.70  724.9000 33061.20   751.0000 248.9354 2.841797  253.8681 2.886911  -4.932709      4.050934  
1 1 1 0   3  9  o 73.71062 0.5173076 2783.836   39.07305 2981.500  86.30000 2620.300   71.40000 76.27792 1.104113  71.50964 0.9743955 4.768288       1.472587  
1 1 1 0   3  10 o 205.0157 1.214651  21538.13   255.1743 21289.40  509.5000 21787.70   511.2000 203.7820 2.439945  206.1541 2.419917  -2.372070      3.436471  
1 1 1 0   3  11 o 312.1572 1.773601  49937.05   567.3194 50955.40  1164.800 48970.10   1106.000 315.2015 3.606324  309.0099 3.492885  6.191559       5.020540  
1 1 1 0   3  12 o 208.9685 1.227095  22375.56   262.7589 22936.20  536.8000 21838.00   514.7000 211.5375 2.476434  206.4126 2.433434  5.124954       3.471934  
1 1 1 0   3  13 o 134.7668 0.8430565 9305.810   116.4228 9873.900  244.2000 8788.200   222.5000 138.8092 1.716836  130.9564 1.658078  7.852829       2.386786  
1 1 1 0   3  14 o 165.5024 0.9943755 14034.81   168.6371 13700.60  327.9000 14388.70   347.2000 163.5038 1.957110  167.5579 2.022164  -4.054123      2.814147  
1 1 1 0   3  15 o 355.5160 2.015903  64776.41   734.3907 64187.00  1455.700 65376.50   1482.100 353.7374 4.015989  356.9963 4.051496  -3.258881      5.704629  
1 1 1 0   3  16 o 208.6055 1.224607  22298.35   261.7706 22176.50  521.4000 22421.20   525.7000 207.9971 2.446331  209.1413 2.453013  -1.144119      3.464363  
1 1 1 0   3  17 o 64.80602 0.5945033 2151.855   39.47917 2376.200  73.20000 1889.200   85.70000 68.09818 1.049004  60.71797 1.377416  7.380215       1.731382  
1 1 1 0   3  18 o 282.6722 1.909860  40955.59   553.2010 40866.50  945.6000 41081.20   1333.100 282.2526 3.269423  282.8264 4.599857  -0.5738220     5.643386  
1 1 1 0   3  19 o 219.9634 1.529827  24797.73   344.8191 25392.70  601.8000 23999.40   807.5000 222.5144 2.639342  216.2279 3.644453  6.286484       4.499796  
1 1 1 0   3  20 o 110.1699 0.8337618 6219.378   94.12462 6339.400  160.9000 6050.200   226.8000 111.2152 1.411866  108.6283 2.037519  2.586891       2.478880  
1 1 1 0   3  21 o 64.22326 0.5925085 2113.421   38.99288 2100.600  65.90000 2132.000   95.50000 64.02362 1.004493  64.49285 1.445085  -0.4692307     1.759908  
1 1 1 0   3  22 o 164.3016 1.178126  13835.66   198.3500 13837.70  335.6000 13832.70   485.0000 164.2618 1.993825  164.1450 2.883472  0.1167603      3.505674  
1 1 1 0   3  23 f 174.1796 1.253507  15550.37   223.7292 15276.40  375.7000 15953.70   553.1000 172.5725 2.124571  176.2452 3.062583  -3.672760      3.727361  
1 1 1 0   3  24 o 50.49744 0.5332139 1306.596   27.59111 1402.500  46.20000 1164.400   68.50000 52.31458 0.8618286 47.63873 1.404775  4.675842       1.648072  
1 1 1 0   3  25 o 143.4417 1.063598  10545.40   156.3332 10210.60  253.1000 11086.30   408.9000 141.1062 1.750441  146.9398 2.715683  -5.833603      3.230941  
1 1 1 0   3  26 o 56.31202 0.4609784 1624.800   26.59991 1704.400  53.10000 1544.900   53.30000 57.66946 0.8985665 54.90401 0.9473811 2.765446       1.305738  
1 1 1 0   3  27 o 65.77255 0.5164423 2216.661   34.80686 2070.500  65.10000 2384.600   74.80000 63.55882 0.9995553 68.20789 1.070209  -4.649078      1.464397  
1 1 1 0   3  28 o 47.02670 0.4153689 1133.156   20.01598 1121.900  39.20000 1144.900   40.90000 46.78756 0.8176308 47.26427 0.8444851 -0.4767075     1.175447  
1 1 1 0   3  29 o 35.05847 0.4327397 629.7897   15.54598 656.7000  30.60000 602.0000   31.60000 35.79504 0.8342577 34.25902 0.9009296 1.536018       1.227868  
1 1 1 0   3  30 o 59.72478 0.4810396 1827.848   29.43973 1717.400  57.80000 1942.500   60.00000 57.87926 0.9745554 61.55648 0.9512158 -3.677227      1.361826  
1 1 1 0   3  31 o 53.01129 0.4328234 1440.024   23.51134 1543.800  49.60000 1346.500   44.70000 54.87532 0.8820764 51.25002 0.8511677 3.625309       1.225783  
1 1 1 0   3  32 o 55.84597 0.4472909 1598.240   25.59649 1616.400  51.80000 1580.500   50.60000 56.14464 0.9003742 55.51822 0.8894398 0.6264191      1.265613  
1 1 1 0   3  33 o 55.41556 0.5264063 1573.932   29.89174 1549.700  49.70000 1610.500   75.00000 54.96966 0.8823379 56.00429 1.306898  -1.034626      1.576865  
1 1 1 0   4  0  o 212.0905 2.387154  0.000000   0.000000 ?         ?        23054.60   518.8000 ?        ?         212.0905 2.387154  0.000000       2.387154  
1 1 1 0   4  1  o 281.9576 2.555006  0.000000   0.000000 ?         ?        40764.10   738.2000 ?        ?         281.9576 2.555006  0.000000       2.555006  
1 1 1 0   4  2  o 88.28512 1.084384  0.000000   0.000000 ?         ?        3994.000   98.10000 ?        ?         88.28512 1.084384  0.000000       1.084384  
1 1 1 0   4  3  o 191.1730 2.163907  0.000000   0.000000 ?         ?        18737.10   423.9000 ?        ?         191.1730 2.163907  0.000000       2.163907  
1 1 1 0   4  4  o 275.3726 1.808326  38870.19   510.2651 39618.30  1266.200 38365.20   854.7000 277.6755 4.450065  273.4577 3.050178  4.217804       5.395059  
1 1 1 0   4  5  o 184.6565 1.240830  17474.33   234.7877 17165.90  562.5000 17695.30   403.0000 182.9147 3.001067  185.7784 2.116954  -2.863739      3.672587  
1 1 1 0   4  6  o 152.0878 1.034186  11852.93   161.1726 11558.20  378.5000 12071.50   280.7000 150.1297 2.460373  153.4596 1.785048  -3.329941      3.039710  
1 1 1 0   4  7  o 116.7308 0.8286423 6981.981   99.11760 6899.100  239.5000 7040.500   169.1000 116.0098 2.014709  117.2088 1.407943  -1.198997      2.457917  
1 1 1 0   4  8  o 40.50084 0.3657526 840.4326   15.17924 1097.400  41.60000 692.8000   23.90000 46.27856 0.8772334 36.77139 0.6342923 9.507164       1.082527  
1 1 1 0   4  9  o 104.0903 0.7453035 5551.494   79.49532 5542.100  189.2000 5558.300   137.1000 103.9902 1.775540  104.1490 1.284648  -0.1587982     2.191543  
1 1 1 0   4  10 o 219.5682 1.260747  24703.45   283.6584 25646.10  587.7000 23824.00   548.3000 223.6774 2.564101  215.5884 2.481958  8.089035       3.568575  
1 1 1 0   4  11 o 329.2787 1.854333  55564.13   625.6763 56117.40  1269.200 55026.20   1234.000 330.7982 3.744282  327.5717 3.676296  3.226532       5.247361  
1 1 1 0   4  12 f 82.06693 0.5613317 3450.753   47.20480 2945.100  84.10000 4097.700   107.6000 75.81390 1.082552  89.42643 1.174216  -13.61253      1.597092  
1 1 1 0   4  13 o 324.1212 1.832592  53837.76   608.6556 55111.20  1234.600 52599.50   1200.500 327.8138 3.675366  320.2581 3.658168  7.555725       5.185606  
1 1 1 0   4  14 o 182.5836 1.088264  17081.68   203.6077 17270.80  411.0000 16896.00   403.5000 183.5668 2.184990  181.5645 2.168774  2.002289       3.078597  
1 1 1 0   4  15 o 349.4271 1.963601  62577.54   703.0854 63055.20  1399.800 62095.50   1412.600 350.5959 3.896376  347.9102 3.962357  2.685638       5.557159  
1 1 1 0   4  16 o 443.4811 2.472840  100823.5   1123.750 100819.0  2249.000 100828.0   2246.000 443.0975 4.953267  443.1187 4.946424  -0.2114868E-01 7.000140  
1 1 1 0   4  17 o 107.0170 0.6994223 5868.104   76.69918 5851.600  153.9000 5884.500   152.9000 106.8576 1.405513  107.1578 1.392469  -0.3001938     1.978493  
1 1 1 0   4  18 o 73.13395 0.5387453 2740.462   40.37392 2512.900  74.60000 3008.900   88.00000 70.02791 1.039607  76.62707 1.120733  -6.599159      1.528668  
1 1 1 0   4  19 o 303.1634 1.738708  47113.34   540.1345 47971.00  1089.700 46270.40   1071.000 305.6758 3.478944  300.2083 3.481516  5.467529       4.921789  
1 1 1 0   4  20 o 205.0746 1.223811  21553.99   257.1724 21317.30  512.7000 21792.20   516.0000 203.8492 2.454459  206.1086 2.443179  -2.259338      3.463162  
1 1 1 0   4  21 o 199.1935 1.400487  20338.81   285.8596 20902.60  492.4000 19558.50   681.5000 201.8447 2.380687  195.1066 3.408753  6.738129       4.157796  
1 1 1 0   4  22 o 122.1674 0.9012275 7648.387   112.8205 7571.000  189.6000 7762.100   278.6000 121.5241 1.522570  123.0076 2.210298  -1.483429      2.683959  
1 1 1 0   4  23 o 120.3844 0.9255807 7426.974   114.1782 7338.800  194.0000 7553.100   277.5000 119.6405 1.582433  121.3332 2.231952  -1.692741      2.736001  
1 1 1 0   4  24 o 30.88207 0.4367417 488.6585   13.82068 623.8000  29.90000 372.5000   25.70000 34.88946 0.8363317 26.94415 0.9322342 7.945316       1.252402  
1 1 1 0   4  25 o 148.7063 1.068848  11333.97   162.8709 11444.80  277.0000 11175.80   395.3000 149.3819 1.809603  147.5340 2.614788  1.847946       3.179903  
1 1 1 0   4  26 o 43.99626 0.4832317 991.8233   21.78560 1113.900  38.20000 829.8000   50.70000 46.62209 0.7996008 40.21493 1.231784  6.407162       1.468555  
1 1 1 0   4  27 o 59.17691 0.5497550 1794.426   33.33649 1856.200  57.00000 1707.400   80.30000 60.18024 0.9243204 57.70630 1.357982  2.473942       1.642706  
1 1 1 0   4  28 o 91.21741 0.7452509 4264.195   69.65923 4126.300  117.4000 4465.400   171.3000 89.70779 1.277143  93.28660 1.792007  -3.578804      2.200542  
1 1 1 0   4  29 o 54.83308 0.4604135 1540.659   25.86957 1529.500  52.50000 1551.500   51.00000 54.62365 0.9379511 55.01606 0.9046535 -0.3924103     1.303131  
1 1 1 0   4  30 o 127.1157 0.8112953 8282.661   105.6760 8472.000  216.0000 8101.300   206.9000 128.4676 1.640824  125.6304 1.607191  2.837166       2.296816  
1 1 1 0   4  31 o 119.9897 0.7641472 7380.603   93.95489 7498.300  190.7000 7266.300   185.2000 120.8424 1.540044  118.9617 1.519271  1.880638       2.163312  
1 1 1 0   4  32 o 13.56836 0.6511389 94.58809   9.026719 99.20000  14.90000 87.50000   22.90000 13.86550 1.056661  12.92491 1.775964  0.9405947      2.066539  
1 1 1 0   4  33 o 34.98857 0.4144174 627.3726   14.85808 608.8000  25.30000 653.8000   36.00000 34.45851 0.7165156 35.68431 0.9854687 -1.225800      1.218418  
1 1 1 0   5  1  f 159.2095 1.492559  0.000000   0.000000 ?         ?        12991.20   243.5000 ?        ?         159.2095 1.492559  0.000000       1.492559  
1 1 1 0   5  2  o 167.7299 1.008093  14416.27   173.2646 14916.40  487.5000 14140.50   268.8000 170.5319 2.789784  166.1004 1.579284  4.431549       3.205781  
1 1 1 0   5  3  o 28.19432 0.3038102 407.2839   8.777330 543.5000  26.60000 340.2000   13.10000 32.56843 0.7970516 25.76770 0.4961320 6.800730       0.9388494 
1 1 1 0   5  4  o 139.5904 0.9680810 9984.605   138.4731 10258.00  339.2000 9796.000   234.0000 141.4479 2.340243  138.2500 1.651781  3.197906       2.864458  
1 1 1 0   5  5  o 320.8755 2.070158  52777.57   680.6730 49231.40  1518.000 55660.30   1234.000 309.5868 4.785100  329.3553 3.656387  -19.76852      6.022154  
1 1 1 0   5  6  o 277.4480 1.798558  39451.83   511.3338 40615.00  1263.600 38661.20   858.9000 281.2916 4.383838  274.5733 3.052713  6.718262       5.342012  
1 1 1 0   5  7  o 309.5001 2.012099  49094.76   638.1292 48084.30  1500.000 49842.90   1110.600 306.0608 4.782832  311.7460 3.476630  -5.685181      5.912904  
1 1 1 0   5  8  o 234.0632 1.544550  28074.33   370.4533 28371.30  889.8000 27862.50   634.7000 235.2023 3.691921  233.1391 2.656776  2.063232       4.548488  
1 1 1 0   5  9  f 205.1114 1.367929  21557.71   287.5092 22196.70  711.0000 21123.90   482.7000 208.0642 3.334832  203.0131 2.320357  5.051071       4.062654  
1 1 1 0   5  10 o 174.1993 1.175590  15548.97   209.8460 14486.20  469.1000 16409.20   379.7000 168.1064 2.723220  178.9355 2.070836  -10.82912      3.421153  
1 1 1 0   5  11 o 323.8492 2.121491  53751.72   704.0159 52660.30  1650.100 54563.90   1227.900 320.3092 5.027388  326.1829 3.673698  -5.873688      6.226611  
1 1 1 0   5  12 o 166.3249 1.139558  14175.06   194.2192 14216.60  463.5000 14145.10   334.3000 166.5309 2.716168  166.1333 1.963728  0.3975830      3.351686  
1 1 1 0   5  13 o 186.3116 1.272172  17787.04   242.8756 18466.20  588.8000 17310.20   413.4000 189.7784 3.027768  183.7739 2.195271  6.004471       3.739866  
1 1 1 0   5  14 o 242.9836 1.390131  30254.86   346.1236 29807.10  680.6000 30718.20   704.3000 241.1198 2.754613  244.7740 2.807980  -3.654190      3.933528  
1 1 1 0   5  15 o 97.73952 0.6362678 4894.698   63.72481 4518.900  117.6000 5339.200   139.1000 93.90756 1.222105  102.0743 1.329880  -8.166763      1.806134  
1 1 1 0   5  16 o 238.0497 1.362131  29040.16   332.2652 28958.40  657.8000 29123.60   671.4000 237.6381 2.701341  238.3113 2.749403  -0.6731873     3.854408  
1 1 1 0   5  17 o 248.0034 1.416217  31521.63   359.9033 32260.60  731.8000 30806.50   708.2000 250.7838 2.847702  245.0695 2.820124  5.714279       4.007806  
1 1 1 0   5  18 o 87.41074 0.6089336 3914.949   54.54225 3981.200  107.8000 3847.100   110.4000 88.13911 1.193581  86.64108 1.243503  1.498039       1.723640  
1 1 1 0   5  19 o 114.5765 0.7445940 6726.837   87.42054 6544.500  173.6000 6911.800   176.1000 112.9926 1.499344  116.1208 1.479963  -3.128204      2.106733  
1 1 1 0   5  20 o 163.3098 0.9820845 13667.72   164.3461 13479.10  318.2000 13869.20   339.9000 162.1251 1.915365  164.4463 2.017106  -2.321228      2.781608  
1 1 1 0   5  21 o 102.0588 0.6538761 5337.249   68.38236 4979.500  126.1000 5761.100   149.4000 98.56445 1.248523  106.0135 1.375280  -7.449059      1.857472  
1 1 1 0   5  22 o 122.9575 0.7758037 7747.325   97.74744 7956.400  194.5000 7536.100   196.5000 124.5756 1.523660  121.2376 1.581710  3.338081       2.196212  
1 1 1 0   5  23 o 228.4630 1.326681  26756.23   310.5851 27216.50  625.5000 26302.30   616.9000 230.2411 2.651222  226.3397 2.659841  3.901428       3.755493  
1 1 1 0   5  24 o 120.8161 0.7763730 7479.971   96.11557 7439.700  186.7000 7522.700   198.1000 120.4589 1.512541  121.1240 1.596084  -0.6651764     2.198924  
1 1 1 0   5  25 o 241.4358 1.636117  29892.71   404.7756 29887.50  694.7000 29900.00   969.9000 241.2017 2.810726  240.9458 3.928341  0.2558746      4.830326  
1 1 1 0   5  26 o 99.49991 0.7439483 5073.498   75.85143 4971.400  126.7000 5225.800   189.0000 98.47402 1.255615  100.9275 1.827485  -2.453491      2.217267  
1 1 1 0   5  27 o 172.6796 1.197111  15287.48   211.8234 14918.20  351.7000 15846.70   532.6000 170.4790 2.013275  175.5148 2.961344  -5.035858      3.580899  
1 1 1 0   5  28 o 126.0560 0.9361069 8145.260   120.9170 8239.000  207.8000 8014.800   289.2000 126.7206 1.600294  124.8973 2.259680  1.823357       2.768952  
1 1 1 0   5  29 o 176.4969 1.248363  15977.05   225.7753 15834.90  377.7000 16188.30   561.3000 175.5423 2.099746  177.1854 3.091496  -1.643097      3.737149  
1 1 1 0   5  30 o 16.88911 0.6012188 146.3745   10.38830 134.7000  15.50000 170.1000   31.50000 16.18112 0.9388449 18.11749 1.717234  -1.936375      1.957121  
1 1 1 0   5  31 o 75.35793 0.6194044 2910.772   47.83013 2839.600  81.00000 3013.400   116.8000 74.40066 1.062453  76.59836 1.488076  -2.197701      1.828436  
1 1 1 0   5  32 o 18.95164 0.4582807 184.0706   8.899730 167.6000  14.90000 208.5000   22.10000 18.06057 0.8071518 20.12876 1.075365  -2.068195      1.344583  
1 1 1 0   6  0  o 206.9749 2.375901  0.000000   0.000000 ?         ?        21953.70   503.9000 ?        ?         206.9749 2.375901  0.000000       2.375901  
1 1 1 0   6  1  o 124.1722 1.216601  0.000000   0.000000 ?         ?        7900.800   154.8000 ?        ?         124.1722 1.216601  0.000000       1.216601  
1 1 1 0   6  2  o 238.6471 1.393672  29184.32   340.8123 25837.80  822.4000 31552.60   582.0000 224.4487 3.575755  248.1078 2.289202  -23.65918      4.245759  
1 1 1 0   6  3  o 235.4486 1.563713  28408.18   377.2695 29077.80  918.6000 27941.50   640.2000 238.0986 3.765054  233.4638 2.676072  4.634796       4.619198  
1 1 1 0   6  4  o 257.5088 1.695098  33981.65   447.2858 35998.00  1130.300 32661.20   740.2000 264.8975 4.164066  252.4067 2.861870  12.49075       5.052697  
1 1 1 0   6  5  o 97.42313 0.6991882 4863.036   69.79986 4706.200  162.6000 4981.000   122.3000 95.83166 1.655820  98.59425 1.210533  -2.762596      2.051129  
1 1 1 0   6  6  o 77.77810 0.5811585 3099.511   46.31806 2771.300  96.00000 3405.500   89.50000 73.54165 1.273912  81.52468 1.071360  -7.983032      1.664531  
1 1 1 0   6  7  o 294.5659 1.906811  44467.41   575.5571 45100.40  1402.600 44026.90   976.1000 296.4753 4.616863  293.0336 3.250712  3.441681       5.646464  
1 1 1 0   6  8  o 141.5200 0.9660849 10262.01   140.0979 9522.000  316.6000 10849.40   251.3000 136.3017 2.266790  145.5041 1.685462  -9.202408      2.824734  
1 1 1 0   6  9  o 77.52772 0.5814937 3079.592   46.19557 3048.100  109.7000 3102.500   79.80000 77.12576 1.388062  77.81362 1.000804  -0.6878586     1.711234  
1 1 1 0   6  10 f 125.3054 0.8857480 8045.147   113.7309 8621.200  282.0000 7655.800   190.6000 129.6955 2.121904  122.2286 1.521780  7.466972       2.611186  
1 1 1 0   6  11 o 288.6948 1.872400  42713.94   553.9058 43029.10  1338.000 42491.30   945.2000 289.5604 4.509399  287.8625 3.204352  1.697876       5.531957  
1 1 1 0   6  12 o 148.9286 1.027738  11364.88   156.8408 12334.90  407.7000 10758.40   254.9000 155.1169 2.564976  144.8885 1.716871  10.22838       3.086544  
1 1 1 0   6  13 o 210.8553 1.432717  22783.61   309.5588 22953.90  742.3000 22661.80   531.0000 211.5440 3.424367  210.2505 2.464672  1.293549       4.219111  
1 1 1 0   6  14 o 78.12959 0.6019063 3127.642   48.18843 2873.800  103.2000 3350.000   90.40000 74.88589 1.344873  80.85543 1.091091  -5.969543      1.731809  
1 1 1 0   6  15 o 175.6928 1.196573  15818.31   215.4228 16000.10  510.3000 15685.50   372.8000 176.6223 2.819563  174.9198 2.079882  1.702499       3.503690  
1 1 1 0   6  16 o 174.7054 1.208918  15641.64   216.4220 16201.90  522.2000 15245.10   369.6000 177.7109 2.867640  172.4366 2.091723  5.274307       3.549460  
1 1 1 0   6  17 o 62.04087 0.5148718 1972.179   32.73221 1929.300  76.70000 2004.100   57.10000 61.35551 1.219954  62.53777 0.8910362 -1.182255      1.510706  
1 1 1 0   6  18 o 64.23383 0.4834962 2114.069   31.82404 2072.300  63.30000 2156.300   64.00000 63.59093 0.9714270 64.86707 0.9628471 -1.276134      1.367752  
1 1 1 0   6  19 o 99.49940 0.6503294 5072.902   66.30592 4989.000  130.4000 5159.700   134.9000 98.65746 1.289880  100.3303 1.312144  -1.672852      1.839976  
1 1 1 0   6  20 o 83.43599 0.5892541 3567.104   50.37956 3256.500  94.20000 3924.200   108.3000 79.71013 1.153291  87.49959 1.207881  -7.789459      1.670047  
1 1 1 0   6  21 o 43.38474 0.3888811 964.4090   17.28830 961.0000  33.70000 968.0000   35.50000 43.30535 0.7594339 43.46241 0.7971061 -0.1570663     1.100962  
1 1 1 0   6  22 o 276.4770 1.578469  39193.40   447.1914 39746.50  902.2000 38649.80   886.7000 278.1053 3.165885  274.2445 3.155299  3.860870       4.469758  
1 1 1 0   6  23 o 108.2982 0.6958569 6010.046   77.22172 5859.200  148.4000 6173.700   161.0000 106.9074 1.354652  109.7354 1.431795  -2.827934      1.971071  
1 1 1 0   6  24 o 131.2251 0.8164902 8824.749   109.7909 9046.600  221.6000 8606.900   217.6000 132.8188 1.628215  129.5500 1.639166  3.268768       2.310401  
1 1 1 0   6  25 o 44.43979 0.4362951 1011.917   19.86784 978.9000  38.20000 1047.700   41.40000 43.70415 0.8529868 45.21327 0.8935854 -1.509117      1.235347  
1 1 1 0   6  26 o 111.8200 0.7127934 6407.808   81.67355 6362.100  158.5000 6456.400   168.5000 111.3838 1.388702  112.2005 1.465570  -0.8167419     2.019007  
1 1 1 0   6  27 o 41.13857 0.4066639 867.1735   17.14286 839.5000  33.60000 896.0000   35.00000 40.47139 0.8102009 41.81100 0.8169193 -1.339603      1.150558  
1 1 1 0   6  28 o 57.94402 0.4776929 1720.487   28.36324 1728.400  54.20000 1711.800   59.50000 58.06553 0.9109249 57.78256 1.004898  0.2829628      1.356320  
1 1 1 0   6  29 o 32.86153 0.4320451 553.3644   14.54840 556.3000  25.60000 549.5000   33.70000 32.94325 0.7583596 32.71990 1.006320  0.2233467      1.260075  
1 1 1 0   6  30 o 35.95387 0.4497963 662.4510   16.57143 664.9000  28.00000 658.9000   40.60000 36.01307 0.7587515 35.82070 1.107428  0.1923676      1.342424  
1 1 1 0   6  31 o 16.11437 0.8998673 133.6000   14.80000 133.6000  14.80000 ?          ?        16.11437 0.8998673 ?        ?         0.000000       0.8998673 
1 1 1 0   6  32 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 0   7  1  o 62.18957 0.6323960 0.000000   0.000000 ?         ?        1981.600   40.30000 ?        ?         62.18957 0.6323960 0.000000       0.6323960 
1 1 1 0   7  2  o 187.2055 1.775529  0.000000   0.000000 ?         ?        17959.90   340.6000 ?        ?         187.2055 1.775529  0.000000       1.775529  
1 1 1 0   7  3  o 138.0936 0.8493948 9770.983   120.1936 9707.800  324.8000 9808.100   190.8000 137.6234 2.303166  138.3501 1.345862  -0.7267151     2.667568  
1 1 1 0   7  4  o 247.6959 1.629631  31440.66   413.6247 31960.80  1010.000 31079.90   700.5000 249.6165 3.948659  246.2246 2.776377  3.391983       4.827025  
1 1 1 0   7  5  o 146.5983 1.003446  11011.83   150.7375 10518.50  348.9000 11387.10   265.4000 143.2516 2.376857  149.0639 1.737521  -5.812302      2.944219  
1 1 1 0   7  6  o 467.5204 2.565897  112044.6   1229.244 111776.0  2464.000 112312.0   2453.000 466.5988 5.153457  467.7228 5.118122  -1.123993      7.263146  
1 1 1 0   7  7  o 199.1160 1.155652  20315.47   235.7933 20329.60  483.0000 20302.00   460.7000 199.1513 2.366822  199.0201 2.259035  0.1312714      3.271863  
1 1 1 0   7  8  f 117.4023 0.7012273 7062.188   84.35945 7076.700  172.5000 7048.300   165.1000 117.5152 1.432506  117.2800 1.373804  0.2352371      1.984795  
1 1 1 0   7  9  o 51.93464 0.4447864 1381.943   23.67048 1622.500  62.50000 1235.300   38.10000 56.27115 1.083917  49.10109 0.7572434 7.170067       1.322230  
1 1 1 0   7  10 o 207.3416 1.408237  22030.40   299.1993 21995.20  690.8000 22057.30   527.8000 207.0920 3.255297  207.4274 2.483161  -0.3353424     4.094270  
1 1 1 0   7  11 o 116.5616 0.8403845 6961.631   100.3765 7022.100  237.6000 6917.400   173.8000 117.0473 1.981009  116.1822 1.459862  0.8651352      2.460812  
1 1 1 0   7  12 o 116.7973 0.8373471 6989.884   100.2159 6842.100  230.0000 7104.000   177.6000 115.5349 1.942748  117.7365 1.472086  -2.201691      2.437480  
1 1 1 0   7  13 o 239.8010 1.581408  29472.79   388.5915 29608.70  941.7000 29377.30   661.6000 240.1511 3.826746  239.3330 2.697706  0.8181152      4.682051  
1 1 1 0   7  14 o 135.0423 0.9690908 9344.888   134.1012 9170.900  301.7000 9484.100   241.4000 133.7372 2.201531  136.0219 1.731929  -2.284714      2.801127  
1 1 1 0   7  15 o 35.36992 0.3973241 640.9876   14.40050 780.8000  36.70000 550.7000   23.70000 39.03471 0.9175225 32.78331 0.7055003 6.251400       1.157402  
1 1 1 0   7  16 o 117.9176 0.8351747 7125.142   100.9147 6917.400  231.0000 7286.300   179.2000 116.1460 1.940928  119.2243 1.466813  -3.078316      2.432847  
1 1 1 0   7  17 o 90.07333 0.6728000 4157.294   62.09842 4516.200  158.5000 3926.100   102.1000 93.85393 1.648081  87.52355 1.138420  6.330376       2.003040  
1 1 1 0   7  18 o 94.99772 0.7073813 4624.377   68.85970 4462.300  159.8000 4747.100   121.0000 93.28934 1.671654  96.23700 1.227001  -2.947662      2.073634  
1 1 1 0   7  19 o 54.64016 0.4783306 1529.750   26.78172 1339.200  55.00000 1710.600   52.20000 51.11758 1.050012  57.77526 0.8817191 -6.657684      1.371114  
1 1 1 0   7  20 o 135.1954 0.9435433 9367.150   130.7140 9132.100  296.3000 9552.700   233.9000 133.4126 2.167387  136.4890 1.672377  -3.076416      2.737592  
1 1 1 0   7  21 o 138.6208 0.8496493 9847.447   120.6887 9342.000  226.0000 10426.70   259.0000 134.9751 1.634017  142.5853 1.772664  -7.610260      2.410881  
1 1 1 0   7  22 o 145.7937 0.8902489 10893.35   132.9991 10837.90  266.7000 10948.50   265.3000 145.3635 1.790480  146.1049 1.772042  -0.7414398     2.519117  
1 1 1 0   7  23 o 42.87180 0.4518645 941.7678   19.85081 1106.400  43.10000 801.2000   36.80000 46.46306 0.9052553 39.53864 0.9082966 6.924419       1.282377  
1 1 1 0   7  24 o 34.60258 0.3668316 613.4931   13.00690 626.5000  27.60000 601.9000   24.60000 34.96414 0.7703496 34.27155 0.7004916 0.6925888      1.041214  
1 1 1 0   7  25 o 158.5297 0.9659798 12882.05   156.9196 12638.10  312.0000 13128.90   315.7000 156.9144 1.940410  159.9343 1.926347  -3.019958      2.734228  
1 1 1 0   7  26 o 72.50697 0.5201699 2693.984   38.64767 2735.000  77.90000 2653.600   76.70000 73.03989 1.040828  71.94478 1.040394  1.095108       1.471646  
1 1 1 0   7  27 o 18.52303 0.4476857 175.8135   8.497353 163.5000  17.30000 187.7000   16.70000 17.83306 0.9501505 19.11640 0.8546960 -1.283342      1.278003  
1 1 1 0   7  28 o 16.04267 0.4846101 132.0094   7.957367 115.1000  16.70000 147.4000   15.20000 14.94043 1.098505  16.93317 0.8790151 -1.992733      1.406905  
1 1 1 0   7  29 o 22.74924 0.4034894 265.2034   9.405835 280.1000  18.00000 248.9000   19.70000 23.36217 0.7528846 22.01431 0.8750420 1.347858       1.154354  
1 1 1 0   7  30 o 44.13984 0.4502299 998.4993   20.36402 1001.900  34.50000 993.6000   49.70000 44.20378 0.7616603 43.98777 1.103492  0.2160034      1.340828  
1 1 1 0   7  31 o 17.85955 0.5761221 163.6750   10.52967 196.4000  18.70000 121.5000   24.10000 19.54329 0.9365074 15.29238 1.559770  4.250913       1.819321  
1 1 1 0   8  0  o 286.1035 3.202222  0.000000   0.000000 ?         ?        41957.20   938.8000 ?        ?         286.1035 3.202222  0.000000       3.202222  
1 1 1 0   8  1  o 262.3846 2.089885  0.000000   0.000000 ?         ?        35286.50   561.9000 ?        ?         262.3846 2.089885  0.000000       2.089885  
1 1 1 0   8  2  o 139.5401 1.163740  0.000000   0.000000 ?         ?        9977.400   166.4000 ?        ?         139.5401 1.163740  0.000000       1.163740  
1 1 1 0   8  3  o 235.7836 2.218052  0.000000   0.000000 ?         ?        28496.00   535.9000 ?        ?         235.7836 2.218052  0.000000       2.218052  
1 1 1 0   8  4  o 561.3550 3.163539  161598.3   1819.739 165987.0  5075.000 159145.0   2837.000 567.2298 8.731295  556.7068 4.973183  10.52295       10.04829  
1 1 1 0   8  5  o 76.08738 0.5142572 2966.227   40.09511 3063.400  110.9000 2911.200   62.80000 77.31750 1.399766  75.37692 0.8130605 1.940575       1.618769  
1 1 1 0   8  6  o 138.9264 0.9619048 9889.568   136.9353 10442.30  343.3000 9522.800   227.8000 142.7241 2.347352  136.3144 1.630848  6.409637       2.858274  
1 1 1 0   8  7  o 201.4462 1.174162  20794.47   242.3736 21033.70  483.6000 20554.10   485.9000 202.5596 2.329889  200.2351 2.368145  2.324478       3.322122  
1 1 1 0   8  8  o 80.56613 0.5322235 3325.731   43.93847 3545.100  95.20000 3137.700   81.60000 83.17632 1.116963  78.25215 1.017643  4.924171       1.511027  
1 1 1 0   8  9  o 145.5949 0.8675027 10861.80   129.4242 10641.80  258.2000 11082.90   259.5000 144.0922 1.748708  147.0490 1.722173  -2.956818      2.454355  
1 1 1 0   8  10 o 70.85214 0.4810243 2572.104   34.92355 2548.000  70.30000 2595.900   69.40000 70.51583 0.9729047 71.17577 0.9515442 -0.6599350     1.360875  
1 1 1 0   8  11 o 137.5556 0.8193246 9695.522   115.4869 9869.700  236.5000 9529.300   225.7000 138.7627 1.663259  136.3505 1.615387  2.412247       2.318600  
1 1 1 0   8  12 o 51.78385 0.3998247 1373.946   21.21594 1128.500  39.60000 1657.200   45.70000 46.92887 0.8234869 56.86948 0.7842212 -9.940613      1.137160  
1 1 1 0   8  13 o 225.8173 1.289704  26135.59   298.4322 25722.20  589.8000 26559.00   604.1000 223.9097 2.570594  227.5202 2.591138  -3.610519      3.649925  
1 1 1 0   8  14 o 70.40959 0.5688819 2540.185   41.04425 2375.900  89.10000 2680.500   76.10000 68.08414 1.277125  72.32184 1.026873  -4.237701      1.638755  
1 1 1 0   8  15 o 41.97636 0.4232144 902.8146   18.20387 901.0000  43.90000 904.1000   31.10000 41.92939 1.021757  42.00434 0.7225499 -0.7495499E-01 1.251426  
1 1 1 0   8  16 o 91.29258 0.6702363 4270.643   62.69918 4015.700  142.6000 4470.700   111.9000 88.50098 1.572436  93.39455 1.169258  -4.893562      1.959520  
1 1 1 0   8  17 o 35.85015 0.4041430 658.5233   14.84651 646.3000  33.60000 668.2000   26.60000 35.50029 0.9244399 36.11074 0.7188642 -0.6104546     1.171049  
1 1 1 0   8  18 o 150.4590 1.052965  11602.50   162.3417 10860.80  353.1000 12233.70   300.5000 145.4706 2.368778  154.4386 1.898848  -8.968048      3.035907  
1 1 1 0   8  19 o 187.1222 1.267826  17949.05   243.0992 18371.00  589.1000 17652.60   413.9000 189.0790 3.040516  185.4779 2.177734  3.601120       3.739955  
1 1 1 0   8  20 o 59.13210 0.5044467 1791.645   30.56588 2028.500  77.20000 1636.400   50.60000 62.90704 1.197622  56.50738 0.8738703 6.399662       1.482548  
1 1 1 0   8  21 o 52.18707 0.4829970 1395.501   25.82889 1345.700  56.90000 1436.900   47.30000 51.23880 1.083715  52.95052 0.8717512 -1.711720      1.390823  
1 1 1 0   8  22 o 60.42636 0.5412322 1870.991   33.51263 1632.200  71.60000 2081.100   63.00000 56.42490 1.238351  63.72097 0.9648501 -7.296066      1.569857  
1 1 1 0   8  23 o 162.3280 1.106355  13508.19   184.0291 13778.70  444.4000 13317.00   314.1000 163.7295 2.648798  161.0872 1.902867  2.642273       3.261446  
1 1 1 0   8  24 o 67.61024 0.5512664 2342.404   38.19200 2287.300  86.80000 2385.700   68.20000 66.78766 1.268309  68.22076 0.9755948 -1.433098      1.600123  
1 1 1 0   8  25 o 116.9705 0.7381887 7012.428   88.47942 7242.700  182.1000 6794.800   172.1000 118.8131 1.495709  115.0845 1.459371  3.728592       2.089715  
1 1 1 0   8  26 o 49.25285 0.3958460 1243.030   19.97818 1179.100  37.70000 1315.100   42.50000 47.96187 0.7670910 50.65087 0.8188487 -2.689003      1.122026  
1 1 1 0   8  27 o 38.21565 0.4376139 748.3894   17.13684 863.6000  40.70000 664.6000   29.60000 41.03785 0.9678577 36.00535 0.8022805 5.032494       1.257141  
1 1 1 0   8  28 o 84.40942 1.121457  3655.800   97.00000 3655.800  97.00000 ?          ?        84.40942 1.121457  ?        ?         0.000000       1.121457  
1 1 1 0   8  29 o 46.48212 0.4524304 1107.300   21.54945 1088.000  35.60000 1136.900   54.60000 46.06347 0.7542145 47.06369 1.132161  -1.000221      1.360378  
1 1 1 0   8  30 o 65.31906 1.136963  2190.500   76.10000 2190.500  76.10000 ?          ?        65.31906 1.136963  ?        ?         0.000000       1.136963  
1 1 1 0   9  1  o 102.9384 0.9101136 0.000000   0.000000 ?         ?        5429.600   96.00000 ?        ?         102.9384 0.9101136 0.000000       0.9101136 
1 1 1 0   9  2  o 356.0865 2.804733  0.000000   0.000000 ?         ?        65030.00   1023.400 ?        ?         356.0865 2.804733  0.000000       2.804733  
1 1 1 0   9  3  o 98.98608 0.9149039 0.000000   0.000000 ?         ?        5020.700   92.80000 ?        ?         98.98608 0.9149039 0.000000       0.9149039 
1 1 1 0   9  4  o 95.84856 1.002887  0.000000   0.000000 ?         ?        4707.600   98.50000 ?        ?         95.84856 1.002887  0.000000       1.002887  
1 1 1 0   9  5  o 139.2994 0.8575915 9942.908   122.4132 9661.500  320.4000 10116.90   198.1000 137.2697 2.277820  140.5012 1.375961  -3.231461      2.661152  
1 1 1 0   9  6  f 51.16438 0.3996224 1341.265   20.95154 1403.800  58.00000 1305.900   32.80000 52.33946 1.081435  50.48442 0.6340421 1.855045       1.253599  
1 1 1 0   9  7  o 140.1616 0.9679662 10066.86   139.0233 10376.20  340.4000 9853.300   235.0000 142.2454 2.335355  138.6462 1.654099  3.599228       2.861804  
1 1 1 0   9  8  o 95.74419 0.7072734 4697.128   69.39020 4537.100  157.4000 4823.300   124.1000 94.08068 1.632698  97.01231 1.248379  -2.931625      2.055275  
1 1 1 0   9  9  o 39.50331 0.3484173 799.5504   14.10365 633.8000  24.80000 1018.100   32.70000 35.16993 0.6881479 44.57475 0.7159134 -9.404823      0.9930153 
1 1 1 0   9  10 o 117.4013 0.7220933 7062.593   86.86895 6954.800  172.3000 7172.200   175.2000 116.4818 1.443540  118.2883 1.445420  -1.806473      2.042804  
1 1 1 0   9  11 o 166.7399 0.9683771 14247.77   165.4559 14400.90  334.5000 14097.90   327.4000 167.5749 1.947999  165.8043 1.927013  1.770645       2.740087  
1 1 1 0   9  12 o 163.2835 0.9519340 13663.38   159.2750 13524.90  318.4000 13802.00   318.7000 162.3941 1.913394  164.0507 1.895857  -1.656601      2.693576  
1 1 1 0   9  13 o 66.68953 0.4741030 2278.826   32.39878 2504.500  73.40000 2100.500   58.00000 69.90561 1.024674  64.02201 0.8840978 5.883598       1.353361  
1 1 1 0   9  14 o 85.48296 0.5576236 3744.268   48.84488 3688.200  98.70000 3799.200   96.70000 84.82841 1.135475  86.09654 1.096080  -1.268127      1.578193  
1 1 1 0   9  15 o 172.6523 1.002618  15277.29   177.3806 14469.00  343.4000 16140.90   366.9000 167.9464 1.995405  177.3819 2.018553  -9.435440      2.838344  
1 1 1 0   9  16 o 114.1239 0.7052492 6674.056   82.47408 6630.900  164.4000 6717.500   165.5000 113.7274 1.410712  114.4676 1.410967  -0.7402191     1.995229  
1 1 1 0   9  17 o 96.00150 0.6200041 4722.581   60.99172 4554.500  119.2000 4898.700   124.9000 94.25991 1.234101  97.75631 1.246865  -3.496399      1.754331  
1 1 1 0   9  18 o 89.53027 0.5873792 4107.332   53.88734 4055.600  110.7000 4156.400   105.0000 88.94733 1.214553  90.04871 1.137924  -1.101379      1.664335  
1 1 1 0   9  19 o 91.00200 0.6801193 4243.691   63.42120 3826.200  139.2000 4593.100   116.5000 86.37798 1.572671  94.65729 1.201084  -8.279312      1.978863  
1 1 1 0   9  20 o 42.53031 0.4248368 926.8228   18.51480 912.2000  41.70000 938.5000   33.30000 42.18716 0.9646226 42.79401 0.7593865 -0.6068535     1.227666  
1 1 1 0   9  21 o 121.8293 0.8928152 7607.259   111.4582 7587.000  265.7000 7621.900   192.0000 121.5643 2.132982  121.9035 1.537045  -0.3392715     2.629092  
1 1 1 0   9  22 o 74.55997 0.5869605 2848.765   44.84489 2928.800  104.6000 2788.700   78.50000 75.57142 1.350752  73.75587 1.038663  1.815544       1.703923  
1 1 1 0   9  23 o 43.85094 0.4372039 985.3157   19.64542 841.3000  39.90000 1125.000   38.70000 40.51093 0.9611747 46.84986 0.8061284 -6.338936      1.254472  
1 1 1 0   9  24 o 88.84701 0.6723250 4045.677   61.20972 3964.700  134.4000 4113.400   112.4000 87.89882 1.492168  89.55473 1.224840  -1.655907      1.930492  
1 1 1 0   9  25 o 67.83688 0.5369852 2358.336   37.32729 2583.900  91.60000 2203.200   63.00000 70.96813 1.259603  65.55137 0.9379084 5.416763       1.570437  
1 1 1 0   9  26 o 71.80581 0.5398040 2642.540   39.71861 2798.300  96.30000 2533.200   67.60000 73.83984 1.272733  70.28263 0.9386427 3.557213       1.581423  
1 1 1 0   9  27 o 27.18751 0.4710362 378.8187   13.12267 445.8000  26.60000 313.6000   25.90000 29.46963 0.8818555 24.70232 1.025437  4.767311       1.352476  
1 1 1 0   9  28 o 68.14783 1.159938  2384.300   81.00000 2384.300  81.00000 ?          ?        68.14783 1.159938  ?        ?         0.000000       1.159938  
1 1 1 0   10 0  o 264.0069 2.996722  0.000000   0.000000 ?         ?        35744.30   810.7000 ?        ?         264.0069 2.996722  0.000000       2.996722  
1 1 1 0   10 1  o 203.2021 1.676095  0.000000   0.000000 ?         ?        21168.10   349.0000 ?        ?         203.2021 1.676095  0.000000       1.676095  
1 1 1 0   10 2  o 178.0391 1.488182  0.000000   0.000000 ?         ?        16248.20   271.5000 ?        ?         178.0391 1.488182  0.000000       1.488182  
1 1 1 0   10 3  o 96.85364 0.8796298 0.000000   0.000000 ?         ?        4807.000   87.30000 ?        ?         96.85364 0.8796298 0.000000       0.8796298 
1 1 1 0   10 4  o 80.46738 0.7446465 0.000000   0.000000 ?         ?        3317.900   61.40000 ?        ?         80.46738 0.7446465 0.000000       0.7446465 
1 1 1 0   10 5  o 67.62135 0.7259150 0.000000   0.000000 ?         ?        2343.100   50.30000 ?        ?         67.62135 0.7259150 0.000000       0.7259150 
1 1 1 0   10 6  o 224.2980 2.085372  0.000000   0.000000 ?         ?        25804.50   479.3000 ?        ?         224.2980 2.085372  0.000000       2.085372  
1 1 1 0   10 7  o 22.31775 0.4132272 255.2049   9.450130 230.6000  22.30000 273.3000   16.40000 21.18712 1.030240  23.08403 0.6941086 -1.896912      1.242248  
1 1 1 0   10 8  o 100.5131 0.6401486 5176.822   65.93282 5125.700  175.8000 5207.500   105.5000 99.98003 1.715960  100.8015 1.021380  -0.8214645     1.996932  
1 1 1 0   10 9  o 29.40611 0.3795239 443.0591   11.43603 433.9000  23.70000 451.6000   22.10000 29.08762 0.7958847 29.68653 0.7264981 -0.5989094     1.077605  
1 1 1 0   10 10 o 97.56396 0.7272121 4877.704   72.70242 4340.900  160.8000 5320.700   132.7000 92.00641 1.705570  101.8816 1.271091  -9.875237      2.127120  
1 1 1 0   10 11 o 87.41133 0.5578216 3915.121   49.96449 3815.800  101.4000 4011.600   98.50000 86.28220 1.146881  88.47003 1.086530  -2.187836      1.579836  
1 1 1 0   10 12 o 104.9218 0.6593018 5641.054   70.88405 5888.300  151.0000 5422.300   133.6000 107.1717 1.374987  102.8481 1.267686  4.323524       1.870192  
1 1 1 0   10 13 o 169.8103 0.9873248 14778.68   171.7998 14676.20  343.2000 14881.40   344.0000 169.1388 1.980184  170.3182 1.971057  -1.179321      2.793957  
1 1 1 0   10 14 o 103.4019 0.6397318 5478.805   67.78364 5561.600  139.0000 5400.000   132.3000 104.1576 1.302344  102.6352 1.257956  1.522400       1.810677  
1 1 1 0   10 15 o 36.08679 0.3576105 667.2436   13.22382 656.1000  26.20000 678.6000   26.70000 35.78178 0.7145638 36.39014 0.7160266 -0.6083603     1.011581  
1 1 1 0   10 16 o 46.77994 0.4072916 1121.281   19.52376 1200.300  42.80000 1055.000   35.90000 48.39508 0.8630664 45.37268 0.7721500 3.022396       1.158058  
1 1 1 0   10 17 o 169.5718 0.9911475 14738.09   172.2227 14835.10  351.9000 14645.10   337.3000 170.0270 2.019775  168.9439 1.948388  1.083038       2.806369  
1 1 1 0   10 18 o 92.46431 0.6026695 4381.101   57.10205 4661.300  121.8000 4133.800   107.5000 95.35133 1.246586  89.79771 1.168274  5.553612       1.708462  
1 1 1 0   10 19 o 158.3382 0.9358802 12850.49   151.8463 13005.20  305.2000 12697.30   302.2000 159.1896 1.870990  157.2933 1.874933  1.896255       2.648769  
1 1 1 0   10 20 o 83.25403 0.5600876 3551.822   47.78148 3819.100  106.9000 3335.800   86.40000 86.30338 1.208792  80.66586 1.045263  5.637520       1.598047  
1 1 1 0   10 21 o 61.03804 0.4440446 1909.068   27.77318 1837.800  55.10000 1981.500   56.00000 59.87684 0.8980372 62.17436 0.8789787 -2.297516      1.256612  
1 1 1 0   10 22 o 48.81309 0.3929539 1220.923   19.65515 1150.000  38.10000 1296.500   40.60000 47.36639 0.7849758 50.29293 0.7878086 -2.926537      1.112128  
1 1 1 0   10 23 o 37.06531 0.3546172 703.9618   13.46870 643.9000  25.70000 770.1000   28.30000 35.44334 0.7076201 38.76124 0.7125091 -3.317902      1.004189  
1 1 1 0   10 24 o 66.37638 0.5121739 2257.935   34.83609 2524.200  89.10000 2087.000   57.20000 70.13554 1.239770  63.79812 0.8749632 6.337425       1.517429  
1 1 1 0   10 25 o 67.92699 0.5243592 2364.836   36.49804 2385.700  83.40000 2348.600   64.90000 68.17741 1.193788  67.66821 0.9359694 0.5091934      1.516960  
1 1 1 0   10 26 o 133.2124 2.155261  9154.500   294.2000 9154.500  294.2000 ?          ?        133.2124 2.155261  ?        ?         0.000000       2.155261  
1 1 1 0   10 27 o 35.17231 0.8518029 634.6000   30.70000 634.6000  30.70000 ?          ?        35.17231 0.8518029 ?        ?         0.000000       0.8518029 
1 1 1 0   11 1  o 237.9722 1.909773  0.000000   0.000000 ?         ?        29047.40   465.7000 ?        ?         237.9722 1.909773  0.000000       1.909773  
1 1 1 0   11 2  o 141.7717 1.194295  0.000000   0.000000 ?         ?        10302.40   173.5000 ?        ?         141.7717 1.194295  0.000000       1.194295  
1 1 1 0   11 3  o 77.38306 0.6999205 0.000000   0.000000 ?         ?        3068.500   55.50000 ?        ?         77.38306 0.6999205 0.000000       0.6999205 
1 1 1 0   11 4  o 47.20912 0.5808741 0.000000   0.000000 ?         ?        1142.000   28.10000 ?        ?         47.20912 0.5808741 0.000000       0.5808741 
1 1 1 0   11 5  o 35.92503 0.5106959 0.000000   0.000000 ?         ?        661.3000   18.80000 ?        ?         35.92503 0.5106959 0.000000       0.5106959 
1 1 1 0   11 6  o 172.2768 1.667113  0.000000   0.000000 ?         ?        15219.90   294.3000 ?        ?         172.2768 1.667113  0.000000       1.667113  
1 1 1 0   11 7  o 173.2154 1.660897  0.000000   0.000000 ?         ?        15386.40   294.8000 ?        ?         173.2154 1.660897  0.000000       1.660897  
1 1 1 0   11 8  o 173.2514 1.037663  15384.37   184.2178 14676.10  472.1000 15837.60   302.1000 169.0352 2.725578  175.7334 1.677638  -6.698181      3.200506  
1 1 1 0   11 9  o 160.1762 0.9691933 13149.35   159.0768 12581.70  407.6000 13512.70   260.9000 156.5328 2.541152  162.3319 1.568455  -5.799103      2.986218  
1 1 1 0   11 10 o 154.3363 0.9229600 12207.71   145.9652 12241.10  398.3000 12188.40   230.4000 154.3986 2.517494  154.1797 1.458334  0.2189484      2.909384  
1 1 1 0   11 11 o 64.03154 0.5145711 2100.863   33.76274 2483.700  94.60000 1888.400   52.50000 69.60301 1.326370  60.70259 0.8440219 8.900425       1.572142  
1 1 1 0   11 12 o 62.62539 0.5083371 2009.606   32.62125 1888.400  77.00000 2098.700   56.60000 60.69311 1.238092  63.99279 0.8631514 -3.299675      1.509272  
1 1 1 0   11 13 o 151.4621 1.022243  11758.49   158.6560 12108.80  396.7000 11525.00   264.4000 153.5443 2.521332  149.8952 1.721374  3.649063       3.052907  
1 1 1 0   11 14 f 62.58178 0.4532142 2006.782   29.06363 2007.700  59.30000 2005.900   57.00000 62.58790 0.9246256 62.56065 0.8891504 0.2724838E-01  1.282779  
1 1 1 0   11 15 o 126.4181 0.7472292 8190.145   96.79688 7996.700  192.5000 8385.800   194.7000 124.8701 1.504436  127.8736 1.485891  -3.003403      2.114521  
1 1 1 0   11 16 o 47.17820 0.3861057 1140.464   18.66577 1132.800  39.00000 1147.500   35.80000 47.01378 0.8095452 47.31907 0.7383265 -0.3052902     1.095669  
1 1 1 0   11 17 o 83.83413 0.5526415 3601.476   47.47475 3853.900  100.6000 3375.900   89.90000 86.69983 1.132352  81.14764 1.081149  5.552193       1.565600  
1 1 1 0   11 18 o 58.91757 0.4447100 1778.720   26.84851 1755.700  54.10000 1801.400   53.30000 58.52466 0.9021110 59.28220 0.8774139 -0.7575455     1.258435  
1 1 1 0   11 19 o 92.12391 0.5936932 4349.250   56.04448 4514.600  120.6000 4205.700   104.7000 93.82088 1.254439  90.56329 1.128226  3.257599       1.687160  
1 1 1 0   11 20 o 74.71066 0.4989578 2860.324   38.19836 2864.300  76.90000 2856.400   75.90000 74.74113 1.004080  74.63864 0.9923838 0.1024857      1.411737  
1 1 1 0   11 21 o 74.52893 0.4867565 2846.486   37.17364 2762.000  73.90000 2932.000   74.80000 73.39096 0.9826605 75.61696 0.9653483 -2.225998      1.377505  
1 1 1 0   11 22 o 84.87355 0.5304969 3691.841   46.13745 3754.100  95.80000 3634.000   89.00000 85.54475 1.092883  84.17104 1.031879  1.373703       1.503053  
1 1 1 0   11 23 o 31.95440 0.4291443 523.2772   14.05181 560.5000  24.00000 470.7000   33.90000 33.06470 0.7083506 30.26730 1.094823  2.797403       1.303993  
1 1 1 0   11 24 o 68.72635 0.9073592 2423.000   63.90000 2423.000  63.90000 ?          ?        68.72635 0.9073592 ?        ?         0.000000       0.9073592 
1 1 1 0   11 25 o 66.76279 0.9048110 2286.900   61.90000 2286.900  61.90000 ?          ?        66.76279 0.9048110 ?        ?         0.000000       0.9048110 
1 1 1 0   12 0  o 198.5005 2.313128  0.000000   0.000000 ?         ?        20207.80   470.5000 ?        ?         198.5005 2.313128  0.000000       2.313128  
1 1 1 0   12 1  o 87.89571 0.8049555 0.000000   0.000000 ?         ?        3959.200   72.50000 ?        ?         87.89571 0.8049555 0.000000       0.8049555 
1 1 1 0   12 2  o 22.29605 0.5782483 0.000000   0.000000 ?         ?        254.9000   13.20000 ?        ?         22.29605 0.5782483 0.000000       0.5782483 
1 1 1 0   12 3  o 158.2576 1.310993  0.000000   0.000000 ?         ?        12840.30   212.6000 ?        ?         158.2576 1.310993  0.000000       1.310993  
1 1 1 0   12 4  o 81.64007 0.7518807 0.000000   0.000000 ?         ?        3415.600   62.90000 ?        ?         81.64007 0.7518807 0.000000       0.7518807 
1 1 1 0   12 5  o 43.70818 0.5202293 0.000000   0.000000 ?         ?        978.9000   23.30000 ?        ?         43.70818 0.5202293 0.000000       0.5202293 
1 1 1 0   12 6  o 67.83157 0.6689948 0.000000   0.000000 ?         ?        2357.800   46.50000 ?        ?         67.83157 0.6689948 0.000000       0.6689948 
1 1 1 0   12 7  o 73.37543 0.6955890 0.000000   0.000000 ?         ?        2759.000   52.30000 ?        ?         73.37543 0.6955890 0.000000       0.6955890 
1 1 1 0   12 8  o 88.00597 0.9059652 0.000000   0.000000 ?         ?        3969.500   81.70000 ?        ?         88.00597 0.9059652 0.000000       0.9059652 
1 1 1 0   12 9  o 32.64947 0.7861062 0.000000   0.000000 ?         ?        546.3000   26.30000 ?        ?         32.64947 0.7861062 0.000000       0.7861062 
1 1 1 0   12 10 o 73.57013 0.5035830 2773.438   37.96391 2667.200  99.20000 2839.300   61.50000 72.12354 1.342259  74.43228 0.8063348 -2.308739      1.565833  
1 1 1 0   12 11 o 79.18761 0.5306113 3213.200   43.05585 3110.000  111.1000 3278.500   70.30000 77.87667 1.392221  79.98007 0.8577785 -2.103401      1.635257  
1 1 1 0   12 12 o 83.10744 0.5569110 3539.261   47.42683 3660.400  129.9000 3469.600   74.70000 84.47853 1.500598  82.27616 0.8860295 2.202370       1.742654  
1 1 1 0   12 13 o 15.89220 0.5304763 129.5636   8.626591 130.3000  18.20000 128.9000   16.40000 15.90252 1.124126  15.82461 1.016756  0.7791138E-01  1.515734  
1 1 1 0   12 14 o 48.98153 0.4180627 1229.352   20.98322 1295.900  53.80000 1186.800   34.40000 50.27681 1.044278  48.12213 0.6976141 2.154678       1.255859  
1 1 1 0   12 15 o 65.79944 0.5125448 2218.616   34.55830 2256.400  81.50000 2190.800   60.00000 66.33367 1.199017  65.37492 0.8956569 0.9587479      1.496610  
1 1 1 0   12 16 o 64.88752 0.5311887 2157.616   35.31900 2316.400  89.60000 2054.300   58.30000 67.20049 1.301179  63.30360 0.8987560 3.896896       1.581401  
1 1 1 0   12 17 f 119.0101 0.7410897 7259.701   90.37599 7300.300  187.7000 7222.000   174.3000 119.2599 1.535930  118.6323 1.433824  0.6275482      2.101174  
1 1 1 0   12 18 o 65.98153 0.4676720 2230.980   31.62002 2019.300  59.80000 2468.500   67.10000 62.75569 0.9299288 69.38480 0.9437561 -6.629112      1.324931  
1 1 1 0   12 19 o 110.6650 0.6849340 6277.600   77.67074 6344.600  154.2000 6209.600   156.5000 111.1780 1.353528  109.9835 1.388636  1.194496       1.939162  
1 1 1 0   12 20 o 33.76459 0.4773023 584.2655   16.51404 568.8000  26.40000 610.1000   44.10000 33.30730 0.7735103 34.45272 1.251234  -1.145424      1.471022  
1 1 1 0   12 21 o 59.28972 0.5166667 1801.727   31.38978 1855.000  54.90000 1730.600   73.30000 60.13778 0.8908952 58.05700 1.232114  2.080772       1.520460  
1 1 1 0   12 22 o 13.53168 1.017111  94.50000   14.00000 94.50000  14.00000 ?          ?        13.53168 1.017111  ?        ?         0.000000       1.017111  
1 1 1 0   12 23 o 75.23121 1.015700  2905.200   78.30000 2905.200  78.30000 ?          ?        75.23121 1.015700  ?        ?         0.000000       1.015700  
1 1 1 0   13 1  o 127.8712 1.076089  0.000000   0.000000 ?         ?        8381.900   141.0000 ?        ?         127.8712 1.076089  0.000000       1.076089  
1 1 1 0   13 2  o 68.71660 0.6632189 0.000000   0.000000 ?         ?        2419.800   46.70000 ?        ?         68.71660 0.6632189 0.000000       0.6632189 
1 1 1 0   13 3  o 88.42349 0.7891144 0.000000   0.000000 ?         ?        4007.100   71.50000 ?        ?         88.42349 0.7891144 0.000000       0.7891144 
1 1 1 0   13 4  o 72.00365 0.6858002 0.000000   0.000000 ?         ?        2656.900   50.60000 ?        ?         72.00365 0.6858002 0.000000       0.6858002 
1 1 1 0   13 5  o 69.13931 0.6676329 0.000000   0.000000 ?         ?        2449.700   47.30000 ?        ?         69.13931 0.6676329 0.000000       0.6676329 
1 1 1 0   13 6  o 94.71960 0.8242363 0.000000   0.000000 ?         ?        4598.300   80.00000 ?        ?         94.71960 0.8242363 0.000000       0.8242363 
1 1 1 0   13 7  o 71.27875 0.6694998 0.000000   0.000000 ?         ?        2603.700   48.90000 ?        ?         71.27875 0.6694998 0.000000       0.6694998 
1 1 1 0   13 8  o 78.69592 0.7477677 0.000000   0.000000 ?         ?        3174.000   60.30000 ?        ?         78.69592 0.7477677 0.000000       0.7477677 
1 1 1 0   13 9  o 110.1191 0.9376156 0.000000   0.000000 ?         ?        6216.100   105.8000 ?        ?         110.1191 0.9376156 0.000000       0.9376156 
1 1 1 0   13 10 o 75.10652 0.7964975 0.000000   0.000000 ?         ?        2891.300   61.30000 ?        ?         75.10652 0.7964975 0.000000       0.7964975 
1 1 1 0   13 11 o 59.34446 0.6643590 0.000000   0.000000 ?         ?        1804.900   40.40000 ?        ?         59.34446 0.6643590 0.000000       0.6643590 
1 1 1 0   13 12 o 52.19899 0.6169550 0.000000   0.000000 ?         ?        1396.400   33.00000 ?        ?         52.19899 0.6169550 0.000000       0.6169550 
1 1 1 0   13 13 o 99.82566 0.6363164 5107.277   65.08991 5252.100  183.4000 5027.600   100.9000 101.1240 1.769892  99.02145 0.9944054 2.102524       2.030113  
1 1 1 0   13 14 o 57.74377 0.4120240 1708.604   24.37957 1745.400  69.00000 1688.500   37.70000 58.33337 1.154340  57.39716 0.6409920 0.9362183      1.320368  
1 1 1 0   13 15 o 95.79329 0.5997545 4703.129   58.87175 4740.900  156.7000 4680.400   94.30000 96.07809 1.591645  95.53576 0.9632685 0.5423279      1.860436  
1 1 1 0   13 16 o 75.62859 0.6847006 2931.974   53.06218 3067.600  107.8000 2800.500   104.5000 77.30032 1.360940  73.85620 1.380800  3.444115       1.938755  
1 1 1 0   13 17 o 13.78465 0.6982734 97.66445   9.831111 67.30000  16.80000 140.5000   23.70000 11.35042 1.479626  16.47859 1.417313  -5.128166      2.048919  
1 1 1 0   13 18 o 77.84745 0.6993699 3107.141   55.78914 3080.500  105.9000 3136.800   117.9000 77.44154 1.334515  78.12438 1.472749  -0.6828384     1.987441  
1 1 1 0   13 19 o 28.73857 0.4380328 423.2868   12.89942 452.0000  24.70000 391.9000   27.00000 29.67483 0.8130548 27.61986 0.9554290 2.054974       1.254553  
1 1 1 0   13 20 o 6.885030 1.942781  25.10000   14.30000 25.10000  14.30000 ?          ?        6.885030 1.942781  ?        ?         0.000000       1.942781  
1 1 1 0   13 21 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 0   14 0  o 148.9281 1.730587  0.000000   0.000000 ?         ?        11375.30   264.1000 ?        ?         148.9281 1.730587  0.000000       1.730587  
1 1 1 0   14 1  o 102.5025 0.8797090 0.000000   0.000000 ?         ?        5386.000   92.40000 ?        ?         102.5025 0.8797090 0.000000       0.8797090 
1 1 1 0   14 2  o 78.51853 0.7332996 0.000000   0.000000 ?         ?        3159.900   59.00000 ?        ?         78.51853 0.7332996 0.000000       0.7332996 
1 1 1 0   14 3  o 109.4099 0.9374491 0.000000   0.000000 ?         ?        6136.900   105.1000 ?        ?         109.4099 0.9374491 0.000000       0.9374491 
1 1 1 0   14 4  o 46.22060 0.5510697 0.000000   0.000000 ?         ?        1094.800   26.10000 ?        ?         46.22060 0.5510697 0.000000       0.5510697 
1 1 1 0   14 5  o 76.59055 0.6956953 0.000000   0.000000 ?         ?        3006.600   54.60000 ?        ?         76.59055 0.6956953 0.000000       0.6956953 
1 1 1 0   14 6  o 50.89190 0.5522624 0.000000   0.000000 ?         ?        1327.300   28.80000 ?        ?         50.89190 0.5522624 0.000000       0.5522624 
1 1 1 0   14 7  o 31.96211 0.4671513 0.000000   0.000000 ?         ?        523.5000   15.30000 ?        ?         31.96211 0.4671513 0.000000       0.4671513 
1 1 1 0   14 8  o 26.48269 0.4790522 0.000000   0.000000 ?         ?        359.4000   13.00000 ?        ?         26.48269 0.4790522 0.000000       0.4790522 
1 1 1 0   14 9  o 20.90016 0.5233735 0.000000   0.000000 ?         ?        224.0000   11.20000 ?        ?         20.90016 0.5233735 0.000000       0.5233735 
1 1 1 0   14 10 o 33.07572 0.5812441 0.000000   0.000000 ?         ?        560.7000   19.70000 ?        ?         33.07572 0.5812441 0.000000       0.5812441 
1 1 1 0   14 11 o 49.94132 0.6213964 0.000000   0.000000 ?         ?        1278.400   31.80000 ?        ?         49.94132 0.6213964 0.000000       0.6213964 
1 1 1 0   14 12 o 18.60146 1.000482  0.000000   0.000000 ?         ?        178.0000   19.00000 ?        ?         18.60146 1.000482  0.000000       1.000482  
1 1 1 0   14 13 o 72.61377 0.9313563 0.000000   0.000000 ?         ?        2704.600   69.30000 ?        ?         72.61377 0.9313563 0.000000       0.9313563 
1 1 1 0   14 14 o 57.78388 0.8410548 0.000000   0.000000 ?         ?        1712.500   49.80000 ?        ?         57.78388 0.8410548 0.000000       0.8410548 
1 1 1 0   14 15 o 27.17221 0.3824617 378.3742   10.64906 370.4000  21.50000 386.2000   21.10000 26.86288 0.7818976 27.43221 0.7513331 -0.5693226     1.084373  
1 1 1 0   14 16 o 43.54161 0.4083604 971.6451   18.21992 994.7000  44.40000 955.6000   30.90000 44.02343 0.9842393 43.16815 0.6985487 0.8552818      1.206937  
1 1 1 0   14 17 o 39.50683 0.3924159 799.9149   15.88609 823.5000  34.70000 780.0000   29.30000 40.06301 0.8452546 38.99728 0.7332211 1.065735       1.118959  
1 1 1 0   14 18 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 0   15 1  o 32.89036 0.4836381 0.000000   0.000000 ?         ?        554.4000   16.30000 ?        ?         32.89036 0.4836381 0.000000       0.4836381 
1 1 1 0   15 2  o 14.23569 0.7637280 0.000000   0.000000 ?         ?        104.2000   11.10000 ?        ?         14.23569 0.7637280 0.000000       0.7637280 
1 1 1 0   15 3  o 3.670838 1.603123  0.000000   0.000000 ?         ?        -2.500000  11.40000 ?        ?         3.670838 1.603123  0.000000       1.603123  
1 1 1 0   15 4  o 33.75974 0.4740742 0.000000   0.000000 ?         ?        584.1000   16.40000 ?        ?         33.75974 0.4740742 0.000000       0.4740742 
1 1 1 0   15 5  o 34.79065 0.5638131 0.000000   0.000000 ?         ?        620.4000   20.10000 ?        ?         34.79065 0.5638131 0.000000       0.5638131 
1 1 1 0   15 6  f 40.73659 0.5629694 0.000000   0.000000 ?         ?        850.6000   23.50000 ?        ?         40.73659 0.5629694 0.000000       0.5629694 
1 1 1 0   15 7  o 57.14161 0.8129355 0.000000   0.000000 ?         ?        1674.500   47.60000 ?        ?         57.14161 0.8129355 0.000000       0.8129355 
1 1 1 0   15 8  o 60.73926 0.8547592 0.000000   0.000000 ?         ?        1892.300   53.20000 ?        ?         60.73926 0.8547592 0.000000       0.8547592 
1 1 1 0   15 9  x ?        ?         0.000000   0.000000 ?         ?        -52.50000  13.50000 ?        ?         ?        ?         0.000000       ?         
1 1 1 0   15 10 o 37.66815 0.6476901 0.000000   0.000000 ?         ?        727.5000   25.00000 ?        ?         37.66815 0.6476901 0.000000       0.6476901 
1 1 1 0   15 11 o 81.02570 1.029781  0.000000   0.000000 ?         ?        3370.300   85.50000 ?        ?         81.02570 1.029781  0.000000       1.029781  
1 1 1 0   15 12 o 20.95090 0.7979759 0.000000   0.000000 ?         ?        225.5000   17.10000 ?        ?         20.95090 0.7979759 0.000000       0.7979759 
1 1 1 0   15 13 o 21.26074 0.8416535 0.000000   0.000000 ?         ?        232.3000   18.30000 ?        ?         21.26074 0.8416535 0.000000       0.8416535 
1 1 1 0   15 14 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 0   16 0  o 86.34400 1.509996  0.000000   0.000000 ?         ?        3828.700   133.6000 ?        ?         86.34400 1.509996  0.000000       1.509996  
1 1 1 0   16 1  o 45.99096 1.033375  0.000000   0.000000 ?         ?        1086.100   48.70000 ?        ?         45.99096 1.033375  0.000000       1.033375  
1 1 1 0   16 2  o 36.30303 0.9605252 0.000000   0.000000 ?         ?        677.0000   35.70000 ?        ?         36.30303 0.9605252 0.000000       0.9605252 
1 1 1 0   16 3  o 39.29906 0.9212837 0.000000   0.000000 ?         ?        792.7000   37.10000 ?        ?         39.29906 0.9212837 0.000000       0.9212837 
1 1 1 0   16 4  o 65.96012 0.8655179 0.000000   0.000000 ?         ?        2232.700   58.50000 ?        ?         65.96012 0.8655179 0.000000       0.8655179 
1 1 1 0   16 5  o 45.67990 0.7135477 0.000000   0.000000 ?         ?        1070.300   33.40000 ?        ?         45.67990 0.7135477 0.000000       0.7135477 
1 1 1 0   16 6  o 20.54229 0.7041366 0.000000   0.000000 ?         ?        216.7000   14.80000 ?        ?         20.54229 0.7041366 0.000000       0.7041366 
1 1 1 0   16 7  o 45.64222 0.6884791 0.000000   0.000000 ?         ?        1068.500   32.20000 ?        ?         45.64222 0.6884791 0.000000       0.6884791 
1 1 1 0   16 8  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 1   0  0  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 1   0  1  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 1   0  2  o 159.1812 2.550619  12995.40   415.8000 12995.40  415.8000 12995.40   415.8000 159.1812 2.550619  159.1812 2.550619  0.000000       0.000000  
1 1 1 1   0  3  o 266.2794 4.188403  36378.40   1142.200 36378.40  1142.200 36378.40   1142.200 266.2794 4.188403  266.2794 4.188403  -0.000000      0.000000  
1 1 1 1   0  4  o 111.5246 1.901847  6378.900   217.2000 6378.900  217.2000 6378.900   217.2000 111.5246 1.901847  111.5246 1.901847  0.000000       0.000000  
1 1 1 1   0  5  o 460.1786 7.169701  108780.0   3379.000 108780.0  3379.000 108780.0   3379.000 460.1786 7.169701  460.1786 7.169701  0.000000       0.000000  
1 1 1 1   0  6  o 264.9848 4.260191  36030.30   1156.100 36030.30  1156.100 36030.30   1156.100 264.9848 4.260191  264.9848 4.260191  -0.000000      0.000000  
1 1 1 1   0  7  o 386.1516 6.026190  76589.20   2383.200 76589.20  2383.200 76589.20   2383.200 386.1516 6.026190  386.1516 6.026190  -0.000000      0.000000  
1 1 1 1   0  8  o 42.06044 0.8709224 907.6000   37.50000 907.6000  37.50000 907.6000   37.50000 42.06044 0.8709224 42.06044 0.8709224 -0.000000      0.000000  
1 1 1 1   0  9  o 41.71836 0.9320670 893.1000   39.80000 893.1000  39.80000 893.1000   39.80000 41.71836 0.9320670 41.71836 0.9320670 0.000000       0.000000  
1 1 1 1   0  10 o 107.3744 1.879019  5913.900   206.6000 5913.900  206.6000 5913.900   206.6000 107.3744 1.879019  107.3744 1.879019  -0.000000      0.000000  
1 1 1 1   0  11 o 278.6343 4.501845  39851.30   1284.600 39851.30  1284.600 39851.30   1284.600 278.6343 4.501845  278.6343 4.501845  0.000000       0.000000  
1 1 1 1   0  12 o 36.83266 0.8834407 696.3000   33.30000 696.3000  33.30000 696.3000   33.30000 36.83266 0.8834407 36.83266 0.8834407 0.000000       0.000000  
1 1 1 1   0  13 o 81.95063 1.650809  3445.400   138.5000 3445.400  138.5000 3445.400   138.5000 81.95063 1.650809  81.95063 1.650809  0.000000       0.000000  
1 1 1 1   0  14 o 29.20946 1.126390  439.1000   33.60000 439.1000  33.60000 439.1000   33.60000 29.20946 1.126390  29.20946 1.126390  -0.000000      0.000000  
1 1 1 1   0  15 o 32.25069 0.7604699 533.8000   25.10000 533.8000  25.10000 533.8000   25.10000 32.25069 0.7604699 32.25069 0.7604699 -0.000000      0.000000  
1 1 1 1   0  16 o 55.51651 0.8987876 1580.400   51.10000 1580.400  51.10000 1580.400   51.10000 55.51651 0.8987876 55.51651 0.8987876 0.000000       0.000000  
1 1 1 1   0  17 o 117.8210 1.572713  7116.900   189.8000 7116.900  189.8000 7116.900   189.8000 117.8210 1.572713  117.8210 1.572713  0.000000       0.000000  
1 1 1 1   0  18 o 30.99418 0.8452537 493.3000   26.80000 493.3000  26.80000 493.3000   26.80000 30.99418 0.8452537 30.99418 0.8452537 0.000000       0.000000  
1 1 1 1   0  19 o 344.6091 3.919614  60926.60   1383.700 60926.60  1383.700 60926.60   1383.700 344.6091 3.919614  344.6091 3.919614  -0.000000      0.000000  
1 1 1 1   0  20 o 194.2759 3.258624  19370.10   648.3000 19370.10  648.3000 19370.10   648.3000 194.2759 3.258624  194.2759 3.258624  0.000000       0.000000  
1 1 1 1   0  21 o 64.54351 1.018141  2136.200   67.30000 2136.200  67.30000 2136.200   67.30000 64.54351 1.018141  64.54351 1.018141  0.000000       0.000000  
1 1 1 1   0  22 o 79.49918 1.159362  3240.700   94.40000 3240.700  94.40000 3240.700   94.40000 79.49918 1.159362  79.49918 1.159362  0.000000       0.000000  
1 1 1 1   0  23 o 162.2741 2.046645  13505.20   340.2000 13505.20  340.2000 13505.20   340.2000 162.2741 2.046645  162.2741 2.046645  -0.000000      0.000000  
1 1 1 1   0  24 o 160.6524 1.981591  13236.40   326.1000 13236.40  326.1000 13236.40   326.1000 160.6524 1.981591  160.6524 1.981591  0.000000       0.000000  
1 1 1 1   0  25 o 198.0703 2.409612  20126.00   488.9000 20126.00  488.9000 20126.00   488.9000 198.0703 2.409612  198.0703 2.409612  0.000000       0.000000  
1 1 1 1   0  26 o 182.4131 2.218272  17068.70   414.5000 17068.70  414.5000 17068.70   414.5000 182.4131 2.218272  182.4131 2.218272  0.000000       0.000000  
1 1 1 1   0  27 o 30.80328 0.9493173 487.6000   29.90000 487.6000  29.90000 487.6000   29.90000 30.80328 0.9493173 30.80328 0.9493173 0.000000       0.000000  
1 1 1 1   0  28 o 150.4275 1.912550  11608.00   294.7000 11608.00  294.7000 11608.00   294.7000 150.4275 1.912550  150.4275 1.912550  0.000000       0.000000  
1 1 1 1   0  29 o 142.5052 1.840780  10418.40   268.7000 10418.40  268.7000 10418.40   268.7000 142.5052 1.840780  142.5052 1.840780  0.000000       0.000000  
1 1 1 1   0  30 o 32.15676 0.8053621 530.9000   26.50000 530.9000  26.50000 530.9000   26.50000 32.15676 0.8053621 32.15676 0.8053621 0.000000       0.000000  
1 1 1 1   0  31 o 55.03800 0.8924100 1553.700   50.30000 1553.700  50.30000 1553.700   50.30000 55.03800 0.8924100 55.03800 0.8924100 0.000000       0.000000  
1 1 1 1   0  32 f 67.88655 0.9751008 2363.800   67.80000 2363.800  67.80000 2363.800   67.80000 67.88655 0.9751008 67.88655 0.9751008 0.000000       0.000000  
1 1 1 1   0  33 o 86.59431 1.181560  3847.400   104.8000 3847.400  104.8000 3847.400   104.8000 86.59431 1.181560  86.59431 1.181560  0.000000       0.000000  
1 1 1 1   1  0  o 85.42047 0.5651099 3738.544   49.46446 3458.500  108.8000 3972.000   90.70000 82.15483 1.292401  88.04493 1.005321  -5.890099      1.637367  
1 1 1 1   1  1  o 165.6547 1.816232  0.000000   0.000000 ?         ?        14063.10   308.3000 ?        ?         165.6547 1.816232  0.000000       1.816232  
1 1 1 1   1  2  o 130.8875 0.8846810 8777.875   118.6542 8281.500  273.8000 9157.500   209.4000 127.1159 2.102011  133.6802 1.528661  -6.564270      2.599088  
1 1 1 1   1  3  o 331.0230 2.136430  56160.37   724.6783 57269.90  1802.100 55414.10   1212.100 333.9940 5.265527  328.7155 3.598487  5.278503       6.377686  
1 1 1 1   1  4  o 86.39871 0.6326375 3824.685   56.00936 4151.900  146.7000 3622.600   90.60000 90.01173 1.590496  84.08305 1.051529  5.928680       1.906670  
1 1 1 1   1  5  o 373.5811 2.420290  71536.98   926.5111 70309.30  2194.700 72433.90   1603.400 369.9747 5.789016  375.7525 4.164296  -5.777802      7.131204  
1 1 1 1   1  6  o 181.7101 1.488082  16920.34   277.0795 17724.90  586.0000 16198.70   525.6000 185.9223 3.075869  177.7464 2.885733  8.175919       4.217633  
1 1 1 1   1  7  o 79.12286 0.7312346 3207.720   59.28667 3569.900  131.0000 2908.300   108.3000 83.46237 1.531730  75.33398 1.402940  8.128395       2.077123  
1 1 1 1   1  8  o 113.6437 1.013424  6617.882   118.0143 6535.100  238.3000 6699.100   233.8000 112.9062 2.059720  114.3161 1.995900  -1.409927      2.868111  
1 1 1 1   1  9  o 79.16962 0.7381253 3211.595   59.88072 3387.400  130.3000 3062.100   110.8000 81.29615 1.564142  77.29694 1.398876  3.999214       2.098426  
1 1 1 1   1  10 o 60.51708 0.6177900 1876.490   38.31045 1604.800  71.30000 2192.000   82.80000 55.96057 1.243395  65.40221 1.235491  -9.441647      1.752846  
1 1 1 1   1  11 o 86.93997 0.6859060 3872.825   61.10581 4141.800  112.4000 3552.400   133.9000 89.90379 1.220085  83.25746 1.569492  6.646324       1.987941  
1 1 1 1   1  12 o 239.8951 1.660778  29491.82   408.2550 29393.10  709.3000 29625.70   961.9000 239.4428 2.890879  240.3259 3.905989  -0.8831024     4.859417  
1 1 1 1   1  13 o 567.5402 3.698896  165174.8   2151.132 168346.0  3723.000 160835.0   5095.000 572.4730 6.346579  558.8593 8.896995  13.61365       10.92866  
1 1 1 1   1  14 o 210.7317 1.450030  22755.58   313.1161 23918.80  559.4000 21276.70   711.2000 216.0205 2.527138  203.7059 3.407139  12.31468       4.242054  
1 1 1 1   1  15 o 269.4377 1.821203  37203.69   502.8231 36193.50  835.9000 38728.70   1261.900 265.6977 3.070211  274.7431 4.482289  -9.045410      5.432965  
1 1 1 1   1  16 o 185.9480 1.316518  17717.75   250.8515 17813.70  426.6000 17580.80   608.9000 186.4279 2.233118  185.1679 3.209090  1.259949       3.909613  
1 1 1 1   1  17 o 203.8361 1.433617  21291.52   299.4420 20844.80  494.3000 21978.00   759.6000 201.6550 2.392122  207.0013 3.581076  -5.346298      4.306548  
1 1 1 1   1  18 o 241.2423 1.409282  29823.81   348.3773 31005.20  716.8000 28706.70   677.8000 245.8977 2.844757  236.6110 2.795556  9.286667       3.988455  
1 1 1 1   1  19 o 53.36085 0.4344056 1458.896   23.75289 1513.100  49.00000 1407.900   46.10000 54.34105 0.8799738 52.41809 0.8582649 1.922958       1.229216  
1 1 1 1   1  20 o 214.6931 1.284541  23622.16   282.5949 23671.80  562.8000 23572.10   567.6000 214.8342 2.556539  214.3789 2.583819  0.4553070      3.634833  
1 1 1 1   1  21 o 71.89753 0.5374919 2648.632   39.59900 2456.000  71.60000 2887.000   88.60000 69.22857 1.009321  75.05524 1.152005  -5.826675      1.531615  
1 1 1 1   1  22 o 188.7024 1.144263  18249.79   221.2594 17333.00  421.7000 19261.80   465.5000 183.8209 2.238774  193.7678 2.344443  -9.946869      3.241685  
1 1 1 1   1  23 o 172.4387 1.045431  15239.04   184.7261 15246.40  365.3000 15231.50   373.7000 172.4113 2.067691  172.3226 2.116326  0.8868408E-01  2.958747  
1 1 1 1   1  24 o 153.7175 0.9386052 12109.28   147.8443 11715.00  286.4000 12530.00   305.6000 151.1424 1.849219  156.3067 1.907995  -5.164337      2.657077  
1 1 1 1   1  25 o 31.30560 0.3914246 502.1477   12.55650 569.3000  28.10000 447.9000   22.70000 33.33069 0.8227420 29.55504 0.7501482 3.775648       1.113385  
1 1 1 1   1  26 o 22.45827 0.4326622 258.4321   9.956892 296.8000  20.80000 223.2000   19.10000 24.05093 0.8452961 20.85012 0.8960688 3.200808       1.231854  
1 1 1 1   1  27 o 103.9465 0.6782990 5536.782   72.24857 5341.500  138.7000 5749.100   150.8000 102.0739 1.326061  105.8936 1.389739  -3.819756      1.920889  
1 1 1 1   1  28 o 107.8503 0.7217295 5960.809   79.76163 6057.100  156.1000 5860.200   163.1000 108.6851 1.401633  106.8984 1.488965  1.786758       2.044894  
1 1 1 1   1  29 o 41.22458 0.4058223 870.7952   17.14314 1014.500  38.20000 753.8000   31.10000 44.49045 0.8379115 38.35102 0.7913800 6.139431       1.152553  
1 1 1 1   1  30 o 44.06227 0.4346920 994.8376   19.62668 919.8000  37.40000 1077.700   41.30000 42.36082 0.8616063 45.85246 0.8790004 -3.491634      1.230856  
1 1 1 1   1  31 o 69.57218 0.5287738 2480.471   37.69675 2625.000  76.10000 2338.600   74.70000 71.54817 1.037977  67.53005 1.079506  4.018120       1.497575  
1 1 1 1   1  32 o 95.97940 0.6183903 4721.645   60.81897 4969.900  130.9000 4506.200   113.6000 98.40516 1.298146  93.71568 1.182953  4.689476       1.756292  
1 1 1 1   1  33 o 91.54684 0.6135750 4295.975   57.55849 4158.100  113.2000 4438.600   117.1000 90.00157 1.227433  92.98753 1.228949  -2.985954      1.736925  
1 1 1 1   2  0  o 146.4324 0.9780510 10986.86   146.7564 11914.20  382.8000 10410.30   238.0000 152.4587 2.450311  142.5296 1.629572  9.929153       2.942708  
1 1 1 1   2  1  o 30.78282 0.3582381 0.000000   0.000000 ?         ?        485.5000   11.30000 ?        ?         30.78282 0.3582381 0.000000       0.3582381 
1 1 1 1   2  2  o 68.79954 0.4990551 2425.199   35.18296 2177.900  81.00000 2615.100   62.20000 65.19455 1.212482  71.44115 0.8496569 -6.246605      1.480551  
1 1 1 1   2  3  o 314.5110 2.029336  50695.76   654.0158 50280.40  1582.900 50988.20   1114.500 312.9873 4.935468  315.3268 3.449219  -2.339447      6.021292  
1 1 1 1   2  4  o 286.1809 1.856054  41972.73   544.2891 43774.90  1383.500 40803.90   897.3000 292.0544 4.622926  282.0994 3.104110  9.955017       5.568388  
1 1 1 1   2  5  o 322.4162 2.108079  53280.88   696.4694 54444.20  1737.100 52502.30   1162.600 325.5938 5.206553  319.9379 3.546225  5.655884       6.299516  
1 1 1 1   2  6  o 284.1730 1.878530  41389.76   547.0151 42734.80  1375.700 40501.90   908.1000 288.4828 4.653776  281.0152 3.153592  7.467560       5.621634  
1 1 1 1   2  7  o 154.7136 1.077650  12265.64   170.8458 11842.20  405.0000 12574.60   295.5000 151.9646 2.600844  156.6274 1.841159  -4.662872      3.186574  
1 1 1 1   2  8  o 282.4369 1.593107  40885.98   461.0678 41087.30  929.9000 40688.00   914.5000 282.9693 3.206997  281.5960 3.169268  1.373352       4.508779  
1 1 1 1   2  9  o 152.0694 0.9185948 11849.62   143.1411 11642.10  278.6000 12068.90   294.4000 150.7062 1.804062  153.4411 1.872396  -2.734848      2.600098  
1 1 1 1   2  10 o 253.9294 1.695765  33047.32   441.2423 32457.40  741.3000 33914.80   1090.100 251.5758 2.875589  257.0327 4.138850  -5.456894      5.039751  
1 1 1 1   2  11 o 223.7536 1.538861  25656.40   352.8319 25855.20  612.8000 25386.60   831.7000 224.5738 2.662940  222.4707 3.648342  2.103104       4.516818  
1 1 1 1   2  12 o 342.5609 2.247587  60144.25   788.9559 59086.40  1320.900 61713.20   1959.100 339.4262 3.797749  346.6997 5.514483  -7.273499      6.695702  
1 1 1 1   2  13 o 169.5370 1.199829  14727.78   208.4404 15094.70  365.2000 14239.90   485.6000 171.6200 2.076656  166.6696 2.843307  4.950378       3.520923  
1 1 1 1   2  14 o 90.66606 0.7110353 4211.849   66.05935 4563.800  117.8000 3762.500   150.4000 94.37505 1.218119  85.68619 1.712926  8.688866       2.101887  
1 1 1 1   2  15 o 179.3408 1.255905  16480.72   230.7992 16736.80  402.3000 16136.10   541.4000 180.7082 2.172570  177.4091 2.978133  3.299149       3.686372  
1 1 1 1   2  16 o 198.6703 1.385924  20225.54   282.1439 19830.60  471.7000 20813.40   702.1000 196.6934 2.340334  201.4600 3.401040  -4.766632      4.128467  
1 1 1 1   2  17 o 83.33920 0.6888928 3558.652   58.83007 3391.100  95.70000 3826.000   152.7000 81.35055 1.148030  86.40331 1.724687  -5.052765      2.071839  
1 1 1 1   2  18 o 360.5930 2.389431  66661.99   882.8969 67640.60  1523.200 65312.60   2100.300 363.0073 4.094899  356.3835 5.751290  6.623749       7.060137  
1 1 1 1   2  19 o 249.9167 1.703984  32013.57   436.3742 31911.60  743.0000 32158.70   1057.400 249.4221 2.907069  250.2373 4.123717  -0.8151855     5.045403  
1 1 1 1   2  20 o 160.2476 1.149057  13159.87   188.6825 13229.40  324.4000 13063.20   451.0000 160.6345 1.970805  159.5705 2.758198  1.063980       3.389945  
1 1 1 1   2  21 o 118.4388 0.7539238 7188.029   91.49976 7175.000  182.7000 7201.100   183.3000 118.3097 1.507023  118.5246 1.509230  -0.2149048     2.132813  
1 1 1 1   2  22 o 119.0619 0.7692325 7264.011   93.84882 7390.000  193.2000 7145.000   182.5000 120.0626 1.570366  118.0584 1.508578  2.004265       2.177580  
1 1 1 1   2  23 o 140.4546 0.8896722 10109.50   128.0455 9893.900  247.5000 10340.60   265.3000 138.9087 1.738791  142.0043 1.823213  -3.095642      2.519425  
1 1 1 1   2  24 o 185.1084 1.120118  17561.85   212.4654 18299.30  435.9000 16860.60   414.5000 188.8559 2.252465  181.2823 2.231366  7.573593       3.170582  
1 1 1 1   2  25 o 117.9596 0.7656571 7130.336   92.54781 7178.800  184.2000 7081.400   186.0000 118.3299 1.519136  117.5231 1.544512  0.8068161      2.166401  
1 1 1 1   2  26 o 104.8704 0.6920419 5635.603   74.36760 5492.400  142.2000 5792.600   155.9000 103.5078 1.340690  106.2946 1.431319  -2.786865      1.961153  
1 1 1 1   2  27 f 33.69453 0.3999396 581.7178   13.80868 524.6000  26.70000 642.9000   28.60000 31.98429 0.8153244 35.41919 0.7880052 -3.434904      1.133890  
1 1 1 1   2  28 o 51.12598 0.4404132 1339.332   23.07280 1206.600  46.60000 1469.500   45.70000 48.51933 0.9372873 53.54703 0.8328801 -5.027695      1.253873  
1 1 1 1   2  29 o 68.49211 1.119911  0.000000   0.000000 ?         ?        2405.100   78.60000 ?        ?         68.49211 1.119911  0.000000       1.119911  
1 1 1 1   2  30 o 51.52246 0.4198035 1360.225   22.16364 1498.400  47.70000 1240.300   41.40000 54.06624 0.8609815 49.19092 0.8213287 4.875320       1.189903  
1 1 1 1   2  31 o 69.73547 0.5011368 2492.105   35.81033 2653.200  73.10000 2337.400   70.20000 71.93224 0.9917343 67.51447 1.014710  4.417778       1.418863  
1 1 1 1   2  32 o 61.77444 0.4622191 1955.624   29.25871 1874.200  56.40000 2043.400   60.80000 60.45486 0.9104363 63.12294 0.9399786 -2.668083      1.308608  
1 1 1 1   2  33 o 27.86696 0.4274127 397.9717   12.20493 350.5000  19.20000 480.8000   33.50000 26.13661 0.7175709 30.59188 1.070311  -4.455265      1.288594  
1 1 1 1   3  0  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 1   3  1  o 174.7479 1.620084  0.000000   0.000000 ?         ?        15649.00   290.1000 ?        ?         174.7479 1.620084  0.000000       1.620084  
1 1 1 1   3  2  o 291.3026 3.198337  0.000000   0.000000 ?         ?        43515.20   954.7000 ?        ?         291.3026 3.198337  0.000000       3.198337  
1 1 1 1   3  3  o 209.5854 1.380963  22509.60   296.5797 21705.30  706.8000 23091.10   511.0000 205.7174 3.352951  212.2395 2.349612  -6.522141      4.094259  
1 1 1 1   3  4  o 22.68691 0.2220062 263.7068   5.161058 230.0000  9.500000 303.8000   11.30000 21.18729 0.4375724 24.35034 0.4528716 -3.163052      0.6297318 
1 1 1 1   3  5  o 184.7057 1.050101  17481.85   198.7511 18039.60  411.3000 16960.30   384.6000 187.5893 2.139697  181.8946 2.063436  5.694672       2.972553  
1 1 1 1   3  6  o 206.1630 1.179655  21780.92   249.2092 22613.30  514.4000 20998.70   483.4000 210.0008 2.390461  202.3689 2.331119  7.631866       3.338925  
1 1 1 1   3  7  o 143.4202 0.8511091 10539.89   125.0817 10068.90  234.4000 11078.80   268.2000 140.1586 1.632072  147.0140 1.780335  -6.855362      2.415213  
1 1 1 1   3  8  o 123.6873 0.7696261 7838.880   97.54462 8659.100  212.8000 7144.700   180.1000 129.9798 1.597708  118.0706 1.488585  11.90926       2.183702  
1 1 1 1   3  9  o 111.3859 0.6910318 6357.001   78.87271 6209.500  156.9000 6506.100   158.6000 110.0772 1.391000  112.6758 1.373644  -2.598595      1.954937  
1 1 1 1   3  10 o 187.6305 1.104902  18039.34   212.4346 19125.80  449.0000 17063.70   403.2000 193.1656 2.268392  182.4592 2.156534  10.70638       3.129895  
1 1 1 1   3  11 o 233.3504 1.327394  27902.22   317.4000 27956.80  634.6000 27847.60   635.0000 233.5356 2.651848  233.0788 2.658720  0.4568329      3.755142  
1 1 1 1   3  12 o 416.8384 2.321509  89054.52   991.6000 89349.00  1983.800 88760.20   1982.600 417.3083 4.639194  415.9295 4.651757  1.378845       6.569700  
1 1 1 1   3  13 o 141.6166 0.8767847 10275.88   127.2346 9853.800  245.0000 10731.90   264.7000 138.6673 1.724224  144.7130 1.785041  -6.045639      2.481797  
1 1 1 1   3  14 o 290.9724 1.929178  43389.86   575.2050 44541.90  1005.400 41849.50   1344.300 294.7321 3.328995  285.5828 4.593734  9.149261       5.673147  
1 1 1 1   3  15 o 371.2590 2.431864  70651.53   925.1551 71206.10  1585.100 69874.10   2222.100 372.5496 4.152161  368.8010 5.879943  3.748596       7.198206  
1 1 1 1   3  16 o 71.84041 0.6121867 2644.357   45.06621 2563.700  73.30000 2773.100   117.0000 70.73431 1.011289  73.56194 1.552152  -2.827629      1.852534  
1 1 1 1   3  17 o 156.2433 1.118495  12509.13   179.0744 12230.10  303.5000 12910.70   436.8000 154.4716 1.917395  158.6828 2.686300  -4.211105      3.300395  
1 1 1 1   3  18 o 232.4919 1.583964  27702.82   377.3562 28459.30  663.5000 26705.20   875.0000 235.5684 2.748688  228.0987 3.743578  7.469757       4.644315  
1 1 1 1   3  19 o 191.8382 1.342635  18860.92   263.9316 18380.80  436.2000 19596.50   668.3000 189.3320 2.248347  195.3987 3.337732  -6.066696      4.024365  
1 1 1 1   3  20 o 327.4710 2.173670  54994.68   729.3984 55472.40  1259.300 54337.10   1733.400 328.5890 3.740053  324.7877 5.208358  3.801331       6.412098  
1 1 1 1   3  21 o 137.5681 1.026642  9698.652   144.7221 9692.800  240.5000 9707.500   363.4000 137.4965 1.706967  137.5403 2.578437  -0.4385376E-01 3.092260  
1 1 1 1   3  22 o 244.0990 1.659824  30549.37   415.1703 30115.00  694.7000 31194.50   1031.800 242.2022 2.799115  246.2295 4.089377  -4.027222      4.955608  
1 1 1 1   3  23 o 65.18384 0.5689260 2177.140   38.00092 2405.900  71.90000 1920.700   80.60000 68.51613 1.024089  61.21366 1.284956  7.302471       1.643128  
1 1 1 1   3  24 o 52.80338 0.4648180 1428.627   25.15030 1321.100  46.20000 1557.100   55.20000 50.77321 0.8879918 55.12070 0.9772958 -4.347485      1.320468  
1 1 1 1   3  25 o 183.5857 1.100284  17274.56   206.9866 17000.40  401.1000 17566.90   427.7000 182.0280 2.150384  185.0229 2.255877  -2.994858      3.116590  
1 1 1 1   3  26 o 181.3531 1.095340  16857.46   203.5506 16598.80  398.3000 17127.80   416.3000 179.8524 2.161204  182.6875 2.223818  -2.835114      3.100994  
1 1 1 1   3  27 o 158.4499 0.9943673 12868.31   161.4497 12601.60  317.3000 13144.60   328.7000 156.7094 1.975953  160.0466 2.004264  -3.337128      2.814509  
1 1 1 1   3  28 o 52.76470 0.4297895 1426.568   23.23794 1277.000  43.80000 1595.600   49.50000 49.91575 0.8563240 55.79593 0.8657735 -5.880184      1.217725  
1 1 1 1   3  29 o 107.9155 0.7068925 5968.419   78.16917 5964.900  155.0000 5972.000   157.7000 107.8386 1.402682  107.9007 1.426294  -0.6211090E-01 2.000458  
1 1 1 1   3  30 o 116.2981 0.7589334 6932.510   90.44292 7028.900  179.3000 6834.400   182.5000 117.0352 1.495084  115.3985 1.543349  1.636612       2.148768  
1 1 1 1   3  31 f 92.33257 0.6399901 4369.616   60.55173 4099.700  115.4000 4667.600   127.4000 89.38654 1.259898  95.37187 1.303619  -5.985336      1.812944  
1 1 1 1   3  32 o 36.12416 0.3811249 668.7101   14.10794 599.8000  26.40000 747.8000   30.30000 34.20381 0.7532359 38.19054 0.7742629 -3.986729      1.080207  
1 1 1 1   3  33 o 33.50951 0.4330550 575.4645   14.86995 601.9000  25.80000 539.5000   35.10000 34.26209 0.7348648 32.40716 1.058402  1.854931       1.288503  
1 1 1 1   4  0  o 262.5475 2.379630  0.000000   0.000000 ?         ?        35342.10   640.2000 ?        ?         262.5475 2.379630  0.000000       2.379630  
1 1 1 1   4  1  o 171.9360 1.622173  0.000000   0.000000 ?         ?        15151.30   285.8000 ?        ?         171.9360 1.622173  0.000000       1.622173  
1 1 1 1   4  2  o 161.9146 0.9578379 13433.71   158.9192 13766.10  435.9000 13243.00   250.1000 163.8391 2.596395  160.7457 1.518364  3.093430       3.007773  
1 1 1 1   4  3  o 78.70473 0.5749466 3173.883   46.36889 3166.000  110.3000 3179.600   80.00000 78.59811 1.369509  78.77185 0.9911070 -0.1737366     1.690517  
1 1 1 1   4  4  o 68.43586 0.5023139 2399.676   35.22551 2228.100  76.90000 2544.700   65.00000 65.93869 1.138119  70.47049 0.9001350 -4.531799      1.451054  
1 1 1 1   4  5  o 141.7988 0.9564299 10303.21   138.9709 10966.50  348.6000 9863.500   231.1000 146.2427 2.326242  138.7221 1.625759  7.520630       2.838043  
1 1 1 1   4  6  f 74.02628 0.4777317 2807.720   36.23835 2735.600  73.80000 2877.300   71.20000 73.06561 0.9857007 74.93463 0.9272546 -1.869026      1.353295  
1 1 1 1   4  7  o 208.0547 1.198795  22181.82   255.5765 22716.40  516.1000 21657.40   506.3000 210.4934 2.392748  205.5278 2.404025  4.965637       3.391840  
1 1 1 1   4  8  o 346.6844 1.918617  61601.18   681.5864 60911.20  1345.800 62309.20   1381.000 344.5596 3.811692  348.4842 3.867339  -3.924561      5.430037  
1 1 1 1   4  9  o 70.23548 0.4767362 2527.488   34.31097 2414.400  65.30000 2652.700   72.30000 68.64452 0.9283440 71.95213 0.9806100 -3.307610      1.350340  
1 1 1 1   4  10 o 329.0165 1.847807  55475.89   622.9779 54343.80  1227.100 56643.30   1265.400 325.5305 3.678662  332.3433 3.715716  -6.812805      5.228680  
1 1 1 1   4  11 o 238.7210 1.366710  29201.35   334.3222 29405.90  674.8000 29000.50   662.6000 239.5107 2.749488  237.8553 2.718568  1.655380       3.866561  
1 1 1 1   4  12 o 113.6018 0.7212961 6612.334   83.96482 6283.200  159.5000 6978.200   177.3000 110.7329 1.405678  116.6956 1.482709  -5.962723      2.043124  
1 1 1 1   4  13 o 68.67424 0.4765687 2416.369   33.53650 2487.700  70.70000 2352.000   63.80000 69.67857 0.9901975 67.75184 0.9189698 1.926727       1.350924  
1 1 1 1   4  14 o 286.8853 1.635728  42177.09   480.8592 40702.20  920.0000 43792.10   1007.400 281.7416 3.186680  292.2268 3.364213  -10.48520      4.633882  
1 1 1 1   4  15 o 203.9146 1.191138  21306.84   248.8908 20618.70  478.4000 22053.10   518.8000 200.5596 2.327820  207.4136 2.440981  -6.854050      3.373001  
1 1 1 1   4  16 o 139.4883 0.8563047 9969.576   122.3953 9574.300  231.5000 10413.00   259.7000 136.6812 1.652890  142.5390 1.778033  -5.857803      2.427642  
1 1 1 1   4  17 o 181.4426 1.071817  16869.80   199.2774 17536.40  409.7000 16238.50   388.0000 184.9514 2.161772  177.9772 2.127496  6.974197       3.033068  
1 1 1 1   4  18 o 101.1489 0.7616600 5242.391   78.94426 5210.300  133.3000 5289.000   193.6000 100.8304 1.290151  101.5749 1.860033  -0.7445526     2.263672  
1 1 1 1   4  19 o 92.39379 0.7199137 4374.185   68.15874 4344.900  113.2000 4418.500   171.3000 92.07585 1.199782  92.83638 1.800698  -0.7605286     2.163790  
1 1 1 1   4  20 o 95.14757 0.7400769 4638.938   72.15607 4464.200  121.3000 4895.500   178.1000 93.32700 1.268397  97.71388 1.778727  -4.386887      2.184651  
1 1 1 1   4  21 o 114.2256 0.8673139 6686.166   101.5168 6978.500  179.6000 6306.100   233.5000 116.6739 1.502222  110.8833 2.055050  5.790657       2.545565  
1 1 1 1   4  22 o 195.9823 1.360428  19688.73   273.2062 19638.20  464.5000 19760.90   663.4000 195.6382 2.317041  196.1030 3.301360  -0.4647827     4.033319  
1 1 1 1   4  23 o 93.69742 0.7344193 4498.730   70.51315 4729.200  126.2000 4206.900   159.8000 96.05248 1.282190  90.57632 1.721725  5.476158       2.146706  
1 1 1 1   4  24 o 145.4425 1.040318  10841.58   155.0444 10619.20  259.9000 11170.40   384.3000 143.8992 1.762582  147.5120 2.542404  -3.612823      3.093625  
1 1 1 1   4  25 o 137.9220 1.005128  9749.404   142.0539 9690.400  235.5000 9839.100   358.0000 137.4641 1.671873  138.4343 2.523719  -0.9702301     3.027262  
1 1 1 1   4  26 o 235.9891 1.391762  28553.73   336.5545 28965.00  667.9000 28136.00   678.4000 237.4373 2.745138  233.9946 2.829318  3.442688       3.942185  
1 1 1 1   4  27 o 34.15297 0.4004701 597.6627   14.01513 642.7000  29.50000 556.9000   26.70000 35.41251 0.8129558 32.96436 0.7904389 2.448151       1.133883  
1 1 1 1   4  28 o 103.7449 0.7062493 5515.885   75.07981 5142.800  145.0000 5916.500   155.7000 100.1357 1.413125  107.4041 1.414716  -7.268440      1.999586  
1 1 1 1   4  29 o 148.2609 0.9206274 11268.28   139.8649 10941.70  272.1000 11613.70   287.8000 145.9815 1.818998  150.3889 1.867568  -4.407425      2.607023  
1 1 1 1   4  30 o 44.79575 0.4215215 1028.264   19.34884 1032.900  39.00000 1023.700   38.40000 44.88671 0.8479075 44.68665 0.8386004 0.2000580      1.192559  
1 1 1 1   4  31 o 34.63932 0.3844836 614.8578   13.64726 611.3000  29.10000 618.0000   25.70000 34.52934 0.8224441 34.72087 0.7223441 -0.1915398     1.094621  
1 1 1 1   4  32 o 50.55466 0.4848794 1309.856   25.11847 1242.900  41.60000 1411.900   63.40000 49.23136 0.8246186 52.44751 1.179685  -3.216148      1.439324  
1 1 1 1   5  0  o 284.3856 2.567851  0.000000   0.000000 ?         ?        41476.00   748.3000 ?        ?         284.3856 2.567851  0.000000       2.567851  
1 1 1 1   5  1  o 128.3804 1.069540  0.000000   0.000000 ?         ?        8445.700   140.7000 ?        ?         128.3804 1.069540  0.000000       1.069540  
1 1 1 1   5  2  o 127.7515 0.7823063 8362.503   102.4097 8505.800  279.0000 8279.400   161.8000 128.8077 2.113800  127.1071 1.242254  1.700615       2.451804  
1 1 1 1   5  3  o 31.64449 0.3279261 513.0627   10.63341 551.1000  27.10000 488.5000   17.50000 32.79541 0.8064137 30.87732 0.5530954 1.918085       0.9778638 
1 1 1 1   5  4  o 151.6236 1.038918  11780.28   161.4159 11345.40  366.6000 12122.40   288.4000 148.7587 2.404982  153.7896 1.830079  -5.030960      3.022106  
1 1 1 1   5  5  o 100.0212 0.7037317 5125.943   72.12692 4809.100  159.6000 5387.200   131.6000 96.87051 1.607840  102.5329 1.252548  -5.662392      2.038143  
1 1 1 1   5  6  o 138.1495 0.9436127 9779.124   133.5800 10196.60  333.8000 9500.600   222.7000 141.0405 2.309638  136.1582 1.596166  4.882355       2.807521  
1 1 1 1   5  7  o 179.3131 1.197940  16475.52   220.1128 15733.40  505.3000 17048.30   390.0000 175.1855 2.814834  182.3835 2.086800  -7.197998      3.504002  
1 1 1 1   5  8  o 100.8382 0.7185350 5209.950   74.24568 5677.300  190.9000 4912.500   121.5000 105.2544 1.769976  97.91411 1.210968  7.340263       2.144588  
1 1 1 1   5  9  o 246.5427 1.629591  31147.98   411.6891 31579.30  994.3000 30843.20   702.6000 248.1390 3.910426  245.2912 2.795296  2.847763       4.806777  
1 1 1 1   5  10 o 269.6401 1.539318  37257.05   425.3154 36502.50  838.8000 38033.20   862.8000 266.8306 3.067781  272.3665 3.091421  -5.535828      4.355246  
1 1 1 1   5  11 o 195.5177 1.134612  19587.61   227.3170 19196.40  443.9000 19998.20   465.9000 193.5290 2.238415  197.5273 2.301798  -3.998276      3.210728  
1 1 1 1   5  12 o 339.4439 1.904539  59050.84   662.4547 61087.90  1363.100 57124.80   1288.800 345.0995 3.854651  333.7260 3.768749  11.37350       5.390900  
1 1 1 1   5  13 o 288.1440 1.635191  42548.48   482.8101 41516.90  948.1000 43618.90   983.8000 284.5361 3.251760  291.6470 3.291933  -7.110931      4.627176  
1 1 1 1   5  14 o 341.7212 1.927111  59849.56   674.8029 59960.40  1335.800 59736.40   1363.700 341.8669 3.813168  341.2172 3.900224  0.6497192      5.454539  
1 1 1 1   5  15 o 322.1561 1.810988  53193.23   597.8336 52434.10  1185.800 53965.10   1205.700 319.6779 3.619932  324.3103 3.628107  -4.632416      5.125141  
1 1 1 1   5  16 o 362.2006 2.025538  67251.76   751.7751 68374.60  1518.700 66151.10   1488.700 364.9113 4.061499  358.9315 4.047596  5.979736       5.734004  
1 1 1 1   5  17 o 293.6825 1.692879  44210.41   509.4509 44469.40  1009.000 43946.30   1029.000 294.3445 3.345313  292.5944 3.432029  1.750122       4.792697  
1 1 1 1   5  18 o 109.0189 0.6936078 6089.944   77.48439 6115.400  157.2000 6065.200   152.8000 109.2305 1.404463  108.7822 1.370778  0.4482422      1.962536  
1 1 1 1   5  19 o 259.5518 1.497706  34533.79   398.3355 33075.40  758.0000 36149.00   839.5000 253.8269 2.914293  265.3264 3.087748  -11.49951      4.245856  
1 1 1 1   5  20 o 103.0957 0.6770123 5446.285   71.52132 5625.400  148.7000 5280.300   137.8000 104.7578 1.385244  101.4958 1.324960  3.262016       1.916878  
1 1 1 1   5  21 o 23.65824 1.033734  0.000000   0.000000 ?         ?        287.4000   25.00000 ?        ?         23.65824 1.033734  0.000000       1.033734  
1 1 1 1   5  22 o 222.5329 1.495446  25388.35   341.0070 26370.20  601.8000 24104.50   786.9000 226.6502 2.591180  216.5137 3.546792  10.13647       4.392488  
1 1 1 1   5  23 o 204.0549 1.404423  21346.28   293.6589 20586.90  482.3000 22528.40   750.8000 200.2848 2.350016  209.3032 3.500661  -9.018356      4.216301  
1 1 1 1   5  24 o 154.4342 1.089301  12224.29   172.3812 12015.70  289.5000 12531.30   426.1000 153.0556 1.845869  156.2114 2.661954  -3.155777      3.239326  
1 1 1 1   5  25 f 79.38085 0.6673112 3229.018   54.28034 3022.500  89.60000 3546.400   137.7000 76.78853 1.138710  83.15781 1.615967  -6.369278      1.976869  
1 1 1 1   5  26 o 23.84758 0.4645897 291.4052   11.35304 349.9000  20.40000 218.0000   25.60000 26.11851 0.7630433 20.58481 1.219113  5.533697       1.438218  
1 1 1 1   5  27 o 55.30334 0.5409895 1567.236   30.65763 1415.500  50.10000 1806.500   79.00000 52.55054 0.9303838 59.35434 1.298902  -6.803802      1.597736  
1 1 1 1   5  28 o 66.13213 0.5645701 2241.187   38.25857 2154.900  64.90000 2365.100   93.20000 64.83396 0.9768857 67.90507 1.339415  -3.071106      1.657812  
1 1 1 1   5  29 o 40.45703 0.3937634 838.7020   16.32404 884.5000  32.90000 793.6000   32.40000 41.53995 0.7729147 39.34684 0.8035942 2.193108       1.114971  
1 1 1 1   5  30 o 29.89921 0.3709182 458.0858   11.36413 528.1000  25.50000 401.8000   20.50000 32.09554 0.7753487 27.98783 0.7153893 4.107710       1.054963  
1 1 1 1   5  31 o 15.43349 0.5497181 122.2388   8.679775 127.0000  15.00000 115.7000   20.60000 15.70780 0.9361643 14.94901 1.359657  0.7587938      1.650779  
1 1 1 1   5  32 o 77.87091 0.6483342 3108.739   51.73359 3243.500  92.00000 2935.600   118.2000 79.49146 1.129455  75.56660 1.526473  3.924850       1.898892  
1 1 1 1   6  0  o 31.50035 0.4244308 0.000000   0.000000 ?         ?        508.4000   13.70000 ?        ?         31.50035 0.4244308 0.000000       0.4244308 
1 1 1 1   6  1  o 200.4063 1.642992  0.000000   0.000000 ?         ?        20581.90   337.4000 ?        ?         200.4063 1.642992  0.000000       1.642992  
1 1 1 1   6  2  f 257.7521 2.374682  0.000000   0.000000 ?         ?        34053.60   627.2000 ?        ?         257.7521 2.374682  0.000000       2.374682  
1 1 1 1   6  3  o 98.09129 0.6288621 4929.943   63.20977 5033.600  169.5000 4868.300   100.8000 99.10840 1.669017  97.47385 1.009193  1.634544       1.950407  
1 1 1 1   6  4  o 51.42321 0.4211780 1354.854   22.19337 1364.300  51.50000 1347.700   39.00000 51.60077 0.9739860 51.28660 0.7420999 0.3141670      1.224484  
1 1 1 1   6  5  o 331.5868 2.147125  56350.87   729.5465 55709.80  1733.100 56816.90   1259.900 329.4490 5.133778  332.8517 3.693915  -3.402710      6.324609  
1 1 1 1   6  6  o 273.7227 1.782447  38395.84   499.9491 36409.20  1147.400 39929.90   886.0000 266.4154 4.202979  279.0760 3.098225  -12.66058      5.221497  
1 1 1 1   6  7  o 210.2891 1.383246  22660.01   298.0675 23648.20  744.0000 21999.50   497.3000 214.7541 3.380905  207.1758 2.342508  7.578369       4.113133  
1 1 1 1   6  8  o 296.8236 1.924846  45152.55   585.4539 45724.80  1417.900 44750.10   997.2000 298.5054 4.635483  295.4210 3.294144  3.084473       5.686747  
1 1 1 1   6  9  o 247.2005 1.622479  31315.07   410.9857 32160.10  1009.500 30734.80   693.2000 250.3921 3.934479  244.8532 2.762831  5.538925       4.807636  
1 1 1 1   6  10 o 376.9229 2.416677  72824.15   933.4037 75305.90  2310.000 71141.40   1566.300 382.8529 5.888189  372.3797 4.104787  10.47321       7.177746  
1 1 1 1   6  11 o 81.09666 0.6156620 3369.677   51.16155 3339.800  116.7000 3393.000   91.10000 80.73086 1.410694  81.37404 1.092532  -0.6431808     1.784288  
1 1 1 1   6  12 o 197.1119 1.337853  19909.75   270.2213 21015.30  678.2000 19177.50   449.2000 202.4274 3.269567  193.4233 2.266379  9.004074       3.978259  
1 1 1 1   6  13 o 104.9113 0.7570776 5639.477   81.38811 5665.400  191.4000 5620.300   141.6000 105.1379 1.776578  104.7263 1.319499  0.4115448      2.212986  
1 1 1 1   6  14 o 187.0450 1.103176  17927.79   211.4410 18368.60  434.8000 17510.50   411.6000 189.2854 2.241682  184.8147 2.173404  4.470688       3.122310  
1 1 1 1   6  15 o 138.6527 0.8535985 9850.817   121.2776 9659.900  239.3000 10047.00   245.9000 137.2804 1.701123  140.0036 1.714041  -2.723145      2.414903  
1 1 1 1   6  16 o 206.3656 1.202774  21825.04   254.3430 23106.10  538.5000 20678.40   482.0000 212.2472 2.475971  200.7992 2.342539  11.44800       3.408506  
1 1 1 1   6  17 o 132.4653 0.8217632 8991.570   111.5443 8911.300  224.7000 9070.700   221.5000 131.8432 1.663209  133.0190 1.625031  -1.175735      2.325294  
1 1 1 1   6  18 o 74.13122 0.5165133 2815.784   39.23567 2950.000  80.00000 2686.600   77.00000 75.86999 1.029015  72.40349 1.037846  3.466499       1.461504  
1 1 1 1   6  19 o 94.37354 0.6077335 4563.636   58.77082 4908.400  124.4000 4254.900   111.4000 97.85835 1.240578  91.11275 1.193185  6.745598       1.721257  
1 1 1 1   6  20 o 42.66988 0.3680452 932.8839   16.09240 990.2000  33.70000 880.5000   30.80000 43.95854 0.7481493 41.45229 0.7251099 2.506252       1.041879  
1 1 1 1   6  21 o 140.7025 0.8506775 10145.28   122.6493 10314.90  248.9000 9980.500   241.8000 141.8279 1.712635  139.5114 1.691407  2.316437       2.407068  
1 1 1 1   6  22 o 76.48103 0.5317799 2997.188   41.67581 3216.000  89.10000 2804.900   78.30000 79.21226 1.097708  73.97797 1.032907  5.234291       1.507269  
1 1 1 1   6  23 o 28.35084 0.3860627 411.8336   11.21559 490.6000  23.10000 337.5000   21.80000 30.94148 0.7285720 25.64929 0.8305305 5.292191       1.104807  
1 1 1 1   6  24 o 89.87059 0.6182716 4138.712   56.93708 4108.800  108.1000 4172.000   120.3000 89.52852 1.178327  90.20934 1.301415  -0.6808167     1.755601  
1 1 1 1   6  25 o 146.0974 1.065617  10941.25   159.5299 10717.80  265.1000 11278.90   400.6000 144.5334 1.789960  148.1482 2.638859  -3.614868      3.188657  
1 1 1 1   6  26 o 31.32195 0.4556956 502.7023   14.62588 574.7000  25.90000 409.3000   33.60000 33.48688 0.7547910 28.23072 1.163996  5.256161       1.387298  
1 1 1 1   6  27 o 69.27780 0.5927865 2459.516   42.08146 2593.100  75.80000 2292.800   94.60000 71.11845 1.040132  66.85696 1.380849  4.261490       1.728762  
1 1 1 1   6  28 o 121.7632 0.9012896 7600.890   112.4550 7436.100  184.7000 7857.400   287.5000 120.3717 1.497422  123.6002 2.269970  -3.228577      2.719382  
1 1 1 1   6  29 o 53.05163 0.4895875 1442.336   26.61506 1512.700  46.30000 1347.200   62.60000 54.31841 0.8318318 51.24291 1.192181  3.075500       1.453699  
1 1 1 1   6  30 o 38.89110 0.4185380 775.1054   16.67952 676.7000  26.90000 935.7000   43.90000 36.33097 0.7225649 42.70910 1.003103  -6.378128      1.236251  
1 1 1 1   6  31 o 68.63963 0.5747114 2415.045   40.42249 2420.000  71.50000 2408.600   93.00000 68.67525 1.016032  68.47758 1.325367  0.1976624      1.670006  
1 1 1 1   7  0  o 193.2446 1.572580  0.000000   0.000000 ?         ?        19136.40   311.4000 ?        ?         193.2446 1.572580  0.000000       1.572580  
1 1 1 1   7  1  o 128.8661 1.098830  0.000000   0.000000 ?         ?        8509.100   145.1000 ?        ?         128.8661 1.098830  0.000000       1.098830  
1 1 1 1   7  2  o 330.0512 2.602566  0.000000   0.000000 ?         ?        55840.00   880.2000 ?        ?         330.0512 2.602566  0.000000       2.602566  
1 1 1 1   7  3  o 119.8074 1.203905  0.000000   0.000000 ?         ?        7355.000   147.8000 ?        ?         119.8074 1.203905  0.000000       1.203905  
1 1 1 1   7  4  o 146.6095 0.8952435 11013.34   134.4937 10936.10  354.8000 11060.50   216.6000 146.0679 2.370449  146.9160 1.438769  -0.8481445     2.772919  
1 1 1 1   7  5  o 131.0426 0.9116885 8798.756   122.4214 9119.100  302.6000 8581.100   205.6000 133.3858 2.213914  129.4038 1.550521  3.982025       2.702875  
1 1 1 1   7  6  o 68.97798 0.5541105 2437.810   39.16563 2289.300  87.20000 2558.900   71.10000 66.84045 1.273147  70.66851 0.9818504 -3.828056      1.607773  
1 1 1 1   7  7  o 63.27701 0.4912673 2051.488   31.85387 2198.300  78.30000 1950.800   53.70000 65.49905 1.166617  61.70343 0.8493107 3.795612       1.443026  
1 1 1 1   7  8  o 353.2759 2.265246  63971.63   820.0262 65590.50  2016.600 62862.20   1382.000 357.3325 5.507428  350.0536 3.852788  7.278900       6.721290  
1 1 1 1   7  9  o 209.0384 1.395637  22392.27   298.9487 22682.60  715.3000 22183.80   513.6000 210.3015 3.319308  208.0261 2.409399  2.275345       4.101586  
1 1 1 1   7  10 o 63.74598 0.5190154 2082.023   33.90248 1986.700  75.40000 2159.900   61.60000 62.26616 1.181737  64.92535 0.9259084 -2.659199      1.501269  
1 1 1 1   7  11 o 197.5766 1.331665  20004.43   269.6057 19674.30  644.1000 20242.10   463.7000 195.8457 3.209527  198.7087 2.277308  -2.863083      3.935377  
1 1 1 1   7  12 o 146.6685 1.029315  11023.07   154.6976 11550.30  379.4000 10660.10   261.2000 150.0856 2.466947  144.2140 1.767532  5.871628       3.034798  
1 1 1 1   7  13 o 234.9297 1.537986  28287.88   370.2446 29896.70  934.7000 27232.60   613.1000 241.2996 3.780222  230.4295 2.596539  10.87012       4.586076  
1 1 1 1   7  14 o 117.5013 0.8622418 7074.750   103.8174 7336.700  243.1000 6879.500   181.2000 119.6229 1.983226  115.8522 1.526355  3.770721       2.502587  
1 1 1 1   7  15 o 112.7160 0.7809129 6510.210   90.19582 6900.000  225.1000 6249.600   150.5000 116.0050 1.893653  110.4234 1.330078  5.581581       2.314094  
1 1 1 1   7  16 o 147.8464 1.013410  11202.07   153.5305 11121.80  360.9000 11261.50   267.2000 147.2319 2.392139  148.2009 1.759492  -0.9689636     2.969536  
1 1 1 1   7  17 o 53.65952 0.4628737 1475.321   25.45116 1478.000  57.60000 1473.200   45.60000 53.70195 1.046728  53.61756 0.8299642 0.8438492E-01  1.335845  
1 1 1 1   7  18 o 127.4300 0.7986677 8321.242   104.2884 8528.000  210.8000 8118.800   206.4000 128.9693 1.595093  125.8368 1.600677  3.132523       2.259754  
1 1 1 1   7  19 o 114.1872 0.7202036 6681.427   84.26960 6854.300  169.9000 6511.300   167.2000 115.6288 1.433933  112.6979 1.447845  2.930916       2.037749  
1 1 1 1   7  20 o 12.31799 0.6097853 77.94006   7.672965 100.4000  15.60000 56.20000   15.10000 13.95269 1.100001  10.36813 1.461795  3.584563       1.829439  
1 1 1 1   7  21 o 113.4230 0.7168220 6592.385   83.31259 6494.800  161.4000 6696.500   172.2000 112.5540 1.399408  114.2846 1.470440  -1.730576      2.029910  
1 1 1 1   7  22 o 108.2271 0.6772771 6002.184   75.11049 5525.900  139.3000 6559.500   163.0000 103.8216 1.309377  113.1102 1.406330  -9.288589      1.921519  
1 1 1 1   7  23 o 73.62947 0.5272701 2777.913   39.78168 2913.400  83.00000 2653.200   76.40000 75.39082 1.074388  71.94658 1.036298  3.444237       1.492724  
1 1 1 1   7  24 o 60.43688 0.4710552 1871.615   29.17241 2009.800  57.80000 1730.800   58.90000 62.61981 0.9007778 58.10884 0.9891786 4.510971       1.337862  
1 1 1 1   7  25 o 120.0110 0.7609131 7381.449   93.57388 7481.600  186.5000 7280.600   187.8000 120.7692 1.507038  119.1329 1.538386  1.636299       2.153554  
1 1 1 1   7  26 o 123.1669 0.7687581 7775.333   97.02468 7959.500  193.7000 7590.500   194.4000 124.5497 1.517709  121.6234 1.559843  2.926292       2.176362  
1 1 1 1   7  27 o 78.78934 0.5437345 3181.283   43.89880 3345.400  90.90000 3028.000   84.90000 80.76768 1.098317  76.84204 1.078228  3.925644       1.539115  
1 1 1 1   7  28 o 89.49143 0.5827343 4104.657   53.43803 4229.700  108.5000 3983.300   105.3000 90.79862 1.166144  88.11420 1.166230  2.684418       1.649237  
1 1 1 1   7  29 o 38.83140 0.6785508 773.0000   27.00000 773.0000  27.00000 ?          ?        38.83140 0.6785508 ?        ?         0.000000       0.6785508 
1 1 1 1   7  30 o 56.04791 0.4732082 1610.014   27.17753 1660.800  50.10000 1549.800   59.40000 56.90362 0.8592103 54.95411 1.054843  1.949516       1.360491  
1 1 1 1   8  0  o 87.17787 0.8339723 0.000000   0.000000 ?         ?        3894.100   74.50000 ?        ?         87.17787 0.8339723 0.000000       0.8339723 
1 1 1 1   8  1  o 372.1034 2.919518  0.000000   0.000000 ?         ?        70993.50   1113.200 ?        ?         372.1034 2.919518  0.000000       2.919518  
1 1 1 1   8  2  o 397.1863 3.105910  0.000000   0.000000 ?         ?        80895.90   1264.100 ?        ?         397.1863 3.105910  0.000000       3.105910  
1 1 1 1   8  3  o 152.6960 1.282050  0.000000   0.000000 ?         ?        11947.80   200.6000 ?        ?         152.6960 1.282050  0.000000       1.282050  
1 1 1 1   8  4  o 364.4866 3.288167  0.000000   0.000000 ?         ?        68134.70   1228.100 ?        ?         364.4866 3.288167  0.000000       3.288167  
1 1 1 1   8  5  o 256.6500 1.492845  33755.48   392.6036 31856.80  1003.300 34976.10   645.0000 249.1685 3.929519  261.2039 2.409804  -12.03543      4.609585  
1 1 1 1   8  6  o 74.49872 0.5946743 2843.685   45.39692 2995.700  116.7000 2746.900   74.30000 76.45686 1.489553  73.21765 0.9903181 3.239204       1.788714  
1 1 1 1   8  7  o 119.3443 0.8240156 7298.003   100.7710 6630.900  218.4000 7869.500   187.1000 113.7415 1.873852  123.9191 1.473457  -10.17754      2.383777  
1 1 1 1   8  8  o 236.1322 1.568371  28576.39   379.4918 27026.30  879.7000 29752.40   667.4000 229.4792 3.741045  240.8716 2.703972  -11.39246      4.615938  
1 1 1 1   8  9  o 174.2697 1.012540  15562.24   180.8141 14766.00  350.4000 16411.20   373.6000 169.7181 2.014826  178.9222 2.037719  -9.204086      2.865628  
1 1 1 1   8  10 o 174.5931 1.164011  15621.10   208.2487 15263.40  481.6000 15893.60   366.9000 172.5034 2.724522  176.0723 2.033566  -3.568909      3.399766  
1 1 1 1   8  11 o 281.1114 1.834334  40511.21   528.3908 38984.20  1216.900 41683.10   933.9000 275.4040 4.312075  284.9811 3.198055  -9.577087      5.368570  
1 1 1 1   8  12 o 171.4100 1.161427  15057.59   203.9982 15691.40  504.9000 14627.90   342.3000 174.8674 2.817723  168.9041 1.977736  5.963226       3.442528  
1 1 1 1   8  13 o 137.1302 0.9294533 9636.499   130.6048 9388.300  299.0000 9829.000   231.9000 135.2951 2.156705  138.4650 1.634415  -3.169891      2.706047  
1 1 1 1   8  14 o 316.4265 2.055710  51354.71   666.5505 50798.70  1584.600 51758.40   1150.500 313.9112 4.926227  317.3339 3.538114  -3.422638      6.065144  
1 1 1 1   8  15 o 101.5671 0.7463379 5286.159   77.67599 5165.800  178.7000 5378.700   137.4000 100.3705 1.737482  102.4361 1.308987  -2.065643      2.175383  
1 1 1 1   8  16 o 138.8069 0.9499094 9874.193   135.1113 9897.000  318.6000 9857.400   234.6000 138.8861 2.238662  138.6529 1.651204  0.2332153      2.781741  
1 1 1 1   8  17 f 205.4006 1.371548  21628.04   288.6761 21416.50  670.2000 21788.10   507.1000 204.1367 3.203944  206.0390 2.401850  -1.902206      4.004265  
1 1 1 1   8  18 o 76.47682 0.5789648 2996.908   45.37121 2849.600  98.80000 3122.000   83.90000 74.55808 1.293195  78.04729 1.049073  -3.489212      1.665205  
1 1 1 1   8  19 o 75.88047 0.5923690 2950.382   46.05966 2999.600  108.2000 2913.900   80.20000 76.49136 1.380437  75.40093 1.038005  1.090424       1.727154  
1 1 1 1   8  20 o 222.8699 1.484045  25468.48   338.9197 24911.00  795.5000 25882.30   590.5000 220.0265 3.528310  224.5025 2.566849  -4.475967      4.363220  
1 1 1 1   8  21 o 81.44765 0.6245353 3399.295   52.12354 3558.600  126.2000 3287.200   88.80000 83.30635 1.478369  80.08181 1.082133  3.224541       1.832099  
1 1 1 1   8  22 o 51.73326 0.4340395 1371.333   23.00899 1219.500  40.90000 1566.600   52.60000 48.78033 0.8182390 55.28600 0.9284793 -6.505661      1.237574  
1 1 1 1   8  23 o 96.56391 0.6243826 4778.387   61.78229 4921.400  126.9000 4642.700   120.4000 97.96919 1.264078  95.15648 1.234780  2.812714       1.767081  
1 1 1 1   8  24 o 141.8545 0.8689343 10314.36   126.3073 10314.90  246.9000 10313.80   258.6000 141.7717 1.699547  141.7527 1.780323  0.1895142E-01  2.461303  
1 1 1 1   8  25 o 62.87305 0.4664614 2025.639   30.05237 2086.000  61.80000 1968.500   58.50000 63.78823 0.9454738 61.96662 0.9212971 1.821617       1.320117  
1 1 1 1   8  26 o 127.6598 0.7887641 8354.142   103.1810 8635.000  209.2000 8080.800   203.6000 129.6879 1.574214  125.4556 1.583760  4.232307       2.233035  
1 1 1 1   8  27 o 60.09346 0.4396069 1850.595   27.07011 1783.500  52.40000 1922.300   56.00000 58.97661 0.8670680 61.22708 0.8925779 -2.250469      1.244388  
1 1 1 1   8  28 o 109.3496 0.8087539 6131.567   90.62167 6277.300  157.4000 5933.800   213.6000 110.5500 1.389465  107.3550 1.941693  3.195015       2.387631  
1 1 1 1   8  29 o 51.95103 0.7870848 1384.100   41.90000 1384.100  41.90000 ?          ?        51.95103 0.7870848 ?        ?         0.000000       0.7870848 
1 1 1 1   9  0  o 210.0236 1.712265  0.000000   0.000000 ?         ?        22608.20   368.5000 ?        ?         210.0236 1.712265  0.000000       1.712265  
1 1 1 1   9  1  o 208.2289 1.684374  0.000000   0.000000 ?         ?        22223.30   359.4000 ?        ?         208.2289 1.684374  0.000000       1.684374  
1 1 1 1   9  2  o 34.26587 0.5268798 0.000000   0.000000 ?         ?        601.6000   18.50000 ?        ?         34.26587 0.5268798 0.000000       0.5268798 
1 1 1 1   9  3  f 127.7814 1.096702  0.000000   0.000000 ?         ?        8367.100   143.6000 ?        ?         127.7814 1.096702  0.000000       1.096702  
1 1 1 1   9  4  o 326.4363 2.585646  0.000000   0.000000 ?         ?        54649.00   864.9000 ?        ?         326.4363 2.585646  0.000000       2.585646  
1 1 1 1   9  5  o 193.6806 1.808881  0.000000   0.000000 ?         ?        19229.00   359.0000 ?        ?         193.6806 1.808881  0.000000       1.808881  
1 1 1 1   9  6  o 44.50738 0.3677807 1014.944   16.77333 1168.300  47.60000 931.5000   25.90000 47.74848 0.9728569 42.63781 0.5927978 5.110676       1.139236  
1 1 1 1   9  7  o 73.46164 0.5101925 2765.092   38.40546 2473.400  94.50000 2964.800   64.70000 69.46976 1.327510  76.06542 0.8300775 -6.595665      1.565666  
1 1 1 1   9  8  o 89.33831 0.6461203 4089.580   59.14928 4040.500  139.3000 4125.800   102.8000 88.78415 1.531148  89.72586 1.118091  -0.9417114     1.895928  
1 1 1 1   9  9  o 178.6481 1.187020  16356.70   217.2976 16146.80  515.2000 16509.80   375.8000 177.3732 2.834586  179.4294 2.043924  -2.056259      3.494639  
1 1 1 1   9  10 o 176.2890 1.029112  15926.75   185.9029 15661.60  363.5000 16204.30   380.5000 174.7522 2.029940  177.7491 2.089050  -2.996841      2.912866  
1 1 1 1   9  11 o 107.6845 0.6698813 5941.903   73.91788 5866.500  146.4000 6018.800   149.3000 106.9806 1.335481  108.3600 1.344598  -1.379417      1.895113  
1 1 1 1   9  12 o 132.8374 0.8038700 9042.476   109.4220 9286.100  229.3000 8820.100   209.3000 134.5754 1.662800  131.1615 1.557272  3.413940       2.278157  
1 1 1 1   9  13 o 90.42706 0.5833048 4189.939   54.04958 4168.100  107.8000 4211.900   108.4000 90.17788 1.166596  90.65044 1.166974  -0.4725571     1.650083  
1 1 1 1   9  14 o 70.96589 0.5504421 2580.519   40.02761 2685.000  96.30000 2506.200   68.50000 72.37328 1.298523  69.93011 0.9559342 2.443176       1.612443  
1 1 1 1   9  15 o 56.45461 0.4683132 1633.041   27.09157 1743.500  67.40000 1558.800   45.30000 58.32305 1.127772  55.15277 0.8015535 3.170284       1.383603  
1 1 1 1   9  16 o 166.5584 1.119021  14219.28   190.9866 14821.60  469.4000 13806.10   322.0000 169.8838 2.696452  164.0564 1.915422  5.827408       3.307521  
1 1 1 1   9  17 o 3.740564 1.378315  5.603559   6.960142 16.40000  15.40000 -3.300000  12.70000 5.969020 2.066631  3.841566 1.684506  2.127455       2.666182  
1 1 1 1   9  18 o 132.6823 0.9172999 9022.461   124.7161 8628.200  284.6000 9330.000   222.0000 129.6642 2.141985  134.8828 1.606195  -5.218567      2.677305  
1 1 1 1   9  19 o 115.0101 0.8148223 6778.752   96.02788 7355.400  240.4000 6395.200   159.9000 119.7300 1.959445  111.6817 1.397230  8.048271       2.406590  
1 1 1 1   9  20 o 45.15286 0.4374182 1044.658   20.23860 1216.600  47.80000 918.4000   35.10000 48.71973 0.9574687 42.33223 0.8091658 6.387501       1.253593  
1 1 1 1   9  21 o 91.95120 0.6912206 4332.965   65.12871 4218.500  143.0000 4428.700   119.6000 90.68643 1.538847  92.93637 1.255877  -2.249939      1.986272  
1 1 1 1   9  22 o 173.7935 1.177937  15486.94   209.7751 14725.80  473.4000 16092.60   376.7000 169.1878 2.730617  177.0174 2.076736  -7.829559      3.430613  
1 1 1 1   9  23 o 45.64903 0.4319223 1067.786   20.20392 1048.300  45.10000 1083.600   36.60000 45.21935 0.9733159 45.97956 0.7768156 -0.7602043     1.245306  
1 1 1 1   9  24 o 93.32964 0.6762963 4464.382   64.67776 4992.800  169.2000 4137.400   104.7000 98.60907 1.674500  89.81773 1.137591  8.791336       2.024367  
1 1 1 1   9  25 o 16.08257 0.4958681 132.6761   8.162079 100.7000  15.70000 167.3000   17.00000 13.96777 1.105938  18.03942 0.9227268 -4.071649      1.440320  
1 1 1 1   9  26 o 3.919682 1.752094  -6.300000  14.40000 -6.300000 14.40000 ?          ?        3.919682 1.752094  ?        ?         0.000000       1.752094  
1 1 1 1   9  27 o 5.534738 1.978753  13.40000   14.20000 13.40000  14.20000 ?          ?        5.534738 1.978753  ?        ?         0.000000       1.978753  
1 1 1 1   9  28 o 29.44490 0.8493477 445.1000   25.60000 445.1000  25.60000 ?          ?        29.44490 0.8493477 ?        ?         0.000000       0.8493477 
1 1 1 1   10 0  o 96.64132 0.8664153 0.000000   0.000000 ?         ?        4785.900   85.80000 ?        ?         96.64132 0.8664153 0.000000       0.8664153 
1 1 1 1   10 1  o 28.81390 0.5181925 0.000000   0.000000 ?         ?        425.4000   15.30000 ?        ?         28.81390 0.5181925 0.000000       0.5181925 
1 1 1 1   10 2  o 160.5602 1.335346  0.000000   0.000000 ?         ?        13213.40   219.7000 ?        ?         160.5602 1.335346  0.000000       1.335346  
1 1 1 1   10 3  f 47.42658 0.5411723 0.000000   0.000000 ?         ?        1152.500   26.30000 ?        ?         47.42658 0.5411723 0.000000       0.5411723 
1 1 1 1   10 4  o 140.1870 1.167419  0.000000   0.000000 ?         ?        10072.20   167.7000 ?        ?         140.1870 1.167419  0.000000       1.167419  
1 1 1 1   10 5  o 162.8342 1.331681  0.000000   0.000000 ?         ?        13591.00   222.2000 ?        ?         162.8342 1.331681  0.000000       1.331681  
1 1 1 1   10 6  o 142.9212 1.384072  0.000000   0.000000 ?         ?        10470.80   202.7000 ?        ?         142.9212 1.384072  0.000000       1.384072  
1 1 1 1   10 7  o 134.3811 1.355112  0.000000   0.000000 ?         ?        9256.900   186.6000 ?        ?         134.3811 1.355112  0.000000       1.355112  
1 1 1 1   10 8  o 50.49483 0.3733649 1306.410   19.31874 1147.600  46.40000 1419.700   33.10000 47.32099 0.9568984 52.63692 0.6136759 -5.315937      1.136773  
1 1 1 1   10 9  o 119.1430 0.7401276 7274.038   90.35944 6937.700  233.0000 7487.100   147.6000 116.2998 1.955144  120.8597 1.191808  -4.559975      2.289758  
1 1 1 1   10 10 o 63.14272 0.5269452 2042.921   34.09472 1886.700  77.30000 2166.200   61.00000 60.66881 1.243414  65.01445 0.9156333 -4.345642      1.544170  
1 1 1 1   10 11 o 183.3148 1.223885  17225.34   229.8987 16545.50  530.2000 17745.80   405.9000 179.4691 2.883047  185.9749 2.129934  -6.505890      3.584492  
1 1 1 1   10 12 o 39.47647 0.3923668 798.4852   15.87190 855.6000  39.80000 760.6000   26.40000 40.85897 0.9505988 38.52675 0.6687182 2.332218       1.162249  
1 1 1 1   10 13 o 168.1051 0.9871679 14483.42   170.0475 14333.20  341.4000 14632.50   338.8000 167.1476 1.993265  168.8877 1.957704  -1.740082      2.793870  
1 1 1 1   10 14 f 112.4487 0.6918033 6479.609   79.71413 6656.100  165.6000 6315.800   153.7000 113.9397 1.418362  110.9924 1.351395  2.947311       1.959086  
1 1 1 1   10 15 o 53.81415 0.4383894 1483.854   24.17435 1484.700  48.10000 1483.000   48.60000 53.82399 0.8721091 53.79300 0.8816823 0.3098679E-01  1.240136  
1 1 1 1   10 16 o 47.10257 0.3931317 1136.797   18.97497 1100.900  38.00000 1172.600   37.90000 46.34865 0.8001071 47.83453 0.7732133 -1.485882      1.112668  
1 1 1 1   10 17 f 93.08833 0.6024297 4440.406   57.46455 4545.200  116.5000 4338.400   113.4000 94.15952 1.207434  91.99272 1.202988  2.166794       1.704428  
1 1 1 1   10 18 o 141.8971 0.8611152 10319.53   125.2083 10007.70  243.0000 10651.00   258.3000 139.6695 1.697878  144.0828 1.749499  -4.413345      2.437937  
1 1 1 1   10 19 o 14.95218 0.5163056 114.6975   7.898734 54.90000  16.00000 173.0000   15.60000 10.22616 1.577578  18.35342 0.8316470 -8.127266      1.783365  
1 1 1 1   10 20 o 2.624516 1.215700  -6.715336  7.757828 -48.40000 17.10000 27.90000   14.20000 2.806619 1.405169  7.240251 1.892994  -4.433632      2.357526  
1 1 1 1   10 21 o 62.31834 0.5215071 1990.116   33.30232 1881.300  70.90000 2086.500   62.80000 60.56992 1.142328  63.79581 0.9606587 -3.225887      1.492574  
1 1 1 1   10 22 o 28.25658 0.3827702 409.1257   11.08297 429.7000  27.00000 394.8000   18.80000 28.93639 0.9117239 27.75436 0.6610408 1.182028       1.126151  
1 1 1 1   10 23 o 70.42690 0.5627640 2541.982   40.61283 2583.500  93.50000 2510.100   71.80000 70.95589 1.285952  69.96167 1.001535  0.9942169      1.629952  
1 1 1 1   10 24 o 63.16571 0.6198401 2045.136   40.11986 2244.400  82.50000 1856.500   78.10000 66.12985 1.217469  60.14009 1.267327  5.989758       1.757370  
1 1 1 1   10 25 o 99.30677 1.673545  5072.200   170.3000 5072.200  170.3000 ?          ?        99.30677 1.673545  ?        ?         0.000000       1.673545  
1 1 1 1   10 26 o 27.32962 0.8544760 383.5000   23.90000 383.5000  23.90000 ?          ?        27.32962 0.8544760 ?        ?         0.000000       0.8544760 
1 1 1 1   11 0  o 75.48096 0.6981648 0.000000   0.000000 ?         ?        2919.500   54.00000 ?        ?         75.48096 0.6981648 0.000000       0.6981648 
1 1 1 1   11 1  o 42.57999 0.5202619 0.000000   0.000000 ?         ?        929.0000   22.70000 ?        ?         42.57999 0.5202619 0.000000       0.5202619 
1 1 1 1   11 2  o 36.42664 0.5331330 0.000000   0.000000 ?         ?        679.9000   19.90000 ?        ?         36.42664 0.5331330 0.000000       0.5331330 
1 1 1 1   11 3  o 96.24988 0.8800780 0.000000   0.000000 ?         ?        4747.600   86.80000 ?        ?         96.24988 0.8800780 0.000000       0.8800780 
1 1 1 1   11 4  o 16.00273 0.7275991 0.000000   0.000000 ?         ?        131.5000   11.90000 ?        ?         16.00273 0.7275991 0.000000       0.7275991 
1 1 1 1   11 5  o 4.338365 1.653768  0.000000   0.000000 ?         ?        6.600000   10.20000 ?        ?         4.338365 1.653768  0.000000       1.653768  
1 1 1 1   11 6  f 47.90284 0.5459780 0.000000   0.000000 ?         ?        1175.800   26.80000 ?        ?         47.90284 0.5459780 0.000000       0.5459780 
1 1 1 1   11 7  o 73.48848 0.8127065 0.000000   0.000000 ?         ?        2767.600   61.20000 ?        ?         73.48848 0.8127065 0.000000       0.8127065 
1 1 1 1   11 8  o 92.63440 0.9449782 0.000000   0.000000 ?         ?        4397.900   89.70000 ?        ?         92.63440 0.9449782 0.000000       0.9449782 
1 1 1 1   11 9  o 86.91879 0.5580341 3871.174   49.70188 4163.100  141.2000 3712.600   76.70000 90.10480 1.529285  85.11314 0.8794282 4.991669       1.764116  
1 1 1 1   11 10 o 30.32455 0.3361187 471.1667   10.44444 383.0000  23.50000 541.7000   18.80000 27.32470 0.8402925 32.51401 0.5642725 -5.189310      1.012173  
1 1 1 1   11 11 o 36.22476 0.3535972 672.3562   13.12540 756.1000  34.20000 620.2000   21.30000 38.41008 0.8689255 34.78990 0.5974864 3.620178       1.054524  
1 1 1 1   11 12 f 57.74382 0.4920589 1708.517   29.11528 1778.300  69.90000 1658.700   49.90000 58.89899 1.158166  56.89045 0.8559784 2.008545       1.440156  
1 1 1 1   11 13 f 100.9705 0.7137827 5224.500   73.85141 4949.200  170.3000 5435.300   130.4000 98.22847 1.691916  102.9666 1.235899  -4.738106      2.095239  
1 1 1 1   11 14 o 76.81412 0.5816876 3023.511   45.78563 2950.800  106.0000 3078.800   80.60000 75.86089 1.363608  77.50213 1.014899  -1.641235      1.699838  
1 1 1 1   11 15 o 59.70792 0.4934962 1826.755   30.19355 1851.200  72.00000 1809.100   52.00000 60.09079 1.169301  59.41215 0.8541412 0.6786423      1.448040  
1 1 1 1   11 16 o 128.4777 0.7699855 8459.671   101.3698 8682.100  204.2000 8240.400   201.3000 130.0984 1.531742  126.7440 1.549951  3.354340       2.179124  
1 1 1 1   11 17 o 29.50732 0.4328507 446.1420   13.08779 448.1000  27.00000 444.3000   25.40000 29.55353 0.8925943 29.42999 0.8431271 0.1235332      1.227839  
1 1 1 1   11 18 o 128.5664 0.7763249 8472.008   102.2750 8296.400  204.5000 8647.700   204.6000 127.1535 1.569520  129.8216 1.538015  -2.668106      2.197471  
1 1 1 1   11 19 o 17.37395 0.4778312 154.7976   8.498823 142.1000  17.20000 167.2000   16.80000 16.61677 1.014987  18.03648 0.9119493 -1.419710      1.364496  
1 1 1 1   11 20 o 69.40762 0.4742796 2468.670   33.73183 2661.000  71.70000 2297.800   63.70000 72.03928 0.9712955 66.94492 0.9285889 5.094368       1.343760  
1 1 1 1   11 21 o 82.95608 0.6452596 3527.288   54.85056 3747.700  97.80000 3245.800   124.9000 85.47414 1.116621  79.50240 1.533147  5.971741       1.896677  
1 1 1 1   11 22 o 76.23811 0.5771638 2979.094   45.08889 3280.000  85.10000 2640.000   95.90000 79.96043 1.038619  71.70998 1.305091  8.250450       1.667930  
1 1 1 1   11 23 o 11.60511 1.071652  69.70000   12.60000 69.70000  12.60000 ?          ?        11.60511 1.071652  ?        ?         0.000000       1.071652  
1 1 1 1   11 24 o 29.68477 0.6640784 451.8000   20.20000 451.8000  20.20000 ?          ?        29.68477 0.6640784 ?        ?         0.000000       0.6640784 
1 1 1 1   11 25 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 1   12 0  o 123.9347 1.059873  0.000000   0.000000 ?         ?        7872.900   134.6000 ?        ?         123.9347 1.059873  0.000000       1.059873  
1 1 1 1   12 1  o 50.51593 0.5563726 0.000000   0.000000 ?         ?        1307.600   28.80000 ?        ?         50.51593 0.5563726 0.000000       0.5563726 
1 1 1 1   12 2  o 35.30843 0.4947391 0.000000   0.000000 ?         ?        638.8000   17.90000 ?        ?         35.30843 0.4947391 0.000000       0.4947391 
1 1 1 1   12 3  o 117.7329 1.022038  0.000000   0.000000 ?         ?        7104.500   123.3000 ?        ?         117.7329 1.022038  0.000000       1.022038  
1 1 1 1   12 4  o 166.7349 1.365494  0.000000   0.000000 ?         ?        14253.70   233.3000 ?        ?         166.7349 1.365494  0.000000       1.365494  
1 1 1 1   12 5  o 62.85375 0.6272661 0.000000   0.000000 ?         ?        2024.400   40.40000 ?        ?         62.85375 0.6272661 0.000000       0.6272661 
1 1 1 1   12 6  o 75.97653 0.7115935 0.000000   0.000000 ?         ?        2958.100   55.40000 ?        ?         75.97653 0.7115935 0.000000       0.7115935 
1 1 1 1   12 7  o 29.05267 0.5139337 0.000000   0.000000 ?         ?        432.5000   15.30000 ?        ?         29.05267 0.5139337 0.000000       0.5139337 
1 1 1 1   12 8  o 107.4036 0.9440577 0.000000   0.000000 ?         ?        5912.400   103.9000 ?        ?         107.4036 0.9440577 0.000000       0.9440577 
1 1 1 1   12 9  o 107.8414 1.106732  0.000000   0.000000 ?         ?        5961.600   122.3000 ?        ?         107.8414 1.106732  0.000000       1.106732  
1 1 1 1   12 10 o 230.9408 2.114974  0.000000   0.000000 ?         ?        27379.00   500.5000 ?        ?         230.9408 2.114974  0.000000       2.114974  
1 1 1 1   12 11 o 73.78717 0.8213199 0.000000   0.000000 ?         ?        2790.400   62.10000 ?        ?         73.78717 0.8213199 0.000000       0.8213199 
1 1 1 1   12 12 o 146.6169 0.8859749 11018.12   133.1079 11268.90  359.7000 10870.80   211.3000 148.0967 2.370264  145.5889 1.416358  2.507843       2.761199  
1 1 1 1   12 13 o 64.75156 0.4421446 2148.402   29.33681 2031.300  75.70000 2222.500   47.90000 62.94169 1.173705  65.85315 0.7098402 -2.911461      1.371662  
1 1 1 1   12 14 o 96.46465 0.6976375 4769.024   68.95986 4972.600  172.7000 4633.700   114.8000 98.43107 1.712229  95.06088 1.178533  3.370186       2.078621  
1 1 1 1   12 15 o 91.00534 0.6671741 4244.509   62.21634 4024.800  140.6000 4418.900   111.6000 88.56258 1.549304  92.82803 1.173239  -4.265457      1.943408  
1 1 1 1   12 16 o 46.27565 0.4145353 1097.307   19.65678 1088.700  44.20000 1104.200   35.40000 46.08194 0.9360372 46.41428 0.7443090 -0.3323441     1.195894  
1 1 1 1   12 17 o 26.10149 0.3553235 349.0954   9.503590 404.9000  22.60000 308.6000   16.40000 28.09378 0.7858266 24.52924 0.6530522 3.564537       1.021763  
1 1 1 1   12 18 o 12.61452 0.7843289 81.89060   10.08819 49.50000  17.30000 127.2000   24.20000 9.658237 1.814643  15.66553 1.526907  -6.007288      2.371577  
1 1 1 1   12 19 o 102.0174 0.7691699 5335.844   80.40722 5576.700  147.9000 5048.900   176.2000 104.2176 1.384932  99.10318 1.735082  5.114464       2.220033  
1 1 1 1   12 20 o 87.12560 0.6760774 3891.531   60.35880 3887.000  103.3000 3897.900   145.2000 87.02434 1.158407  87.07174 1.627388  -0.4740143E-01 1.997573  
1 1 1 1   12 21 o 27.59390 0.6896412 390.4000   19.50000 390.4000  19.50000 ?          ?        27.59390 0.6896412 ?        ?         0.000000       0.6896412 
1 1 1 1   12 22 o 88.24195 1.109245  3998.000   100.3000 3998.000  100.3000 ?          ?        88.24195 1.109245  ?        ?         0.000000       1.109245  
1 1 1 1   12 23 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 1   13 0  o 63.39575 0.7604461 0.000000   0.000000 ?         ?        2059.700   49.40000 ?        ?         63.39575 0.7604461 0.000000       0.7604461 
1 1 1 1   13 1  o 98.11756 0.8782448 0.000000   0.000000 ?         ?        4934.200   88.30000 ?        ?         98.11756 0.8782448 0.000000       0.8782448 
1 1 1 1   13 2  o 34.43202 0.7822548 0.000000   0.000000 ?         ?        607.6000   27.60000 ?        ?         34.43202 0.7822548 0.000000       0.7822548 
1 1 1 1   13 3  o 78.18849 0.7613575 0.000000   0.000000 ?         ?        3133.100   61.00000 ?        ?         78.18849 0.7613575 0.000000       0.7613575 
1 1 1 1   13 4  o 85.11102 0.7739620 0.000000   0.000000 ?         ?        3712.500   67.50000 ?        ?         85.11102 0.7739620 0.000000       0.7739620 
1 1 1 1   13 5  o 91.29762 0.8134424 0.000000   0.000000 ?         ?        4272.000   76.10000 ?        ?         91.29762 0.8134424 0.000000       0.8134424 
1 1 1 1   13 6  o 66.23342 0.6409345 0.000000   0.000000 ?         ?        2248.100   43.50000 ?        ?         66.23342 0.6409345 0.000000       0.6409345 
1 1 1 1   13 7  o 87.46091 0.7832939 0.000000   0.000000 ?         ?        3920.500   70.20000 ?        ?         87.46091 0.7832939 0.000000       0.7832939 
1 1 1 1   13 8  o 88.20636 0.7844188 0.000000   0.000000 ?         ?        3987.700   70.90000 ?        ?         88.20636 0.7844188 0.000000       0.7844188 
1 1 1 1   13 9  o 112.1098 0.9427285 0.000000   0.000000 ?         ?        6443.000   108.3000 ?        ?         112.1098 0.9427285 0.000000       0.9427285 
1 1 1 1   13 10 o 95.18899 0.8252980 0.000000   0.000000 ?         ?        4644.400   80.50000 ?        ?         95.18899 0.8252980 0.000000       0.8252980 
1 1 1 1   13 11 o 99.13566 1.015901  0.000000   0.000000 ?         ?        5038.900   103.2000 ?        ?         99.13566 1.015901  0.000000       1.015901  
1 1 1 1   13 12 o 145.7633 1.413993  0.000000   0.000000 ?         ?        10902.30   211.2000 ?        ?         145.7633 1.413993  0.000000       1.413993  
1 1 1 1   13 13 o 73.46915 0.8049507 0.000000   0.000000 ?         ?        2767.000   60.60000 ?        ?         73.46915 0.8049507 0.000000       0.8049507 
1 1 1 1   13 14 o 9.135051 1.104808  43.42585   10.13195 66.10000  18.30000 15.30000   22.70000 11.22757 1.638925  6.504272 2.470017  4.723294       2.964297  
1 1 1 1   13 15 o 123.1281 0.8556567 7773.340   107.9581 7938.500  254.3000 7651.500   187.6000 124.2228 1.997775  122.0649 1.499836  2.157974       2.498122  
1 1 1 1   13 16 o 106.7150 0.7647279 5838.740   83.62394 6022.700  201.2000 5707.900   143.1000 108.2102 1.814518  105.4398 1.324454  2.770462       2.246476  
1 1 1 1   13 17 o 46.50209 0.5107132 1108.325   24.33593 1084.600  45.90000 1135.100   51.80000 45.98019 0.9741899 47.03186 1.074829  -1.051678      1.450621  
1 1 1 1   13 18 o 65.88770 0.6137055 2225.514   41.43456 2231.300  81.30000 2219.500   84.50000 65.91861 1.203605  65.73772 1.254422  0.1808853      1.738459  
1 1 1 1   13 19 o 45.95700 0.9470760 1083.800   44.60000 1083.800  44.60000 ?          ?        45.95700 0.9470760 ?        ?         0.000000       0.9470760 
1 1 1 1   13 20 o 43.44040 0.8559194 968.2000   38.10000 968.2000  38.10000 ?          ?        43.44040 0.8559194 ?        ?         0.000000       0.8559194 
1 1 1 1   14 0  o 53.72569 0.5630946 0.000000   0.000000 ?         ?        1479.200   31.00000 ?        ?         53.72569 0.5630946 0.000000       0.5630946 
1 1 1 1   14 1  f 7.278901 1.510890  0.000000   0.000000 ?         ?        28.20000   10.90000 ?        ?         7.278901 1.510890  0.000000       1.510890  
1 1 1 1   14 2  o 42.69634 0.5439863 0.000000   0.000000 ?         ?        934.2000   23.80000 ?        ?         42.69634 0.5439863 0.000000       0.5439863 
1 1 1 1   14 3  o 118.1762 0.9942560 0.000000   0.000000 ?         ?        7160.400   120.4000 ?        ?         118.1762 0.9942560 0.000000       0.9942560 
1 1 1 1   14 4  o 48.87849 0.8365616 0.000000   0.000000 ?         ?        1224.700   41.90000 ?        ?         48.87849 0.8365616 0.000000       0.8365616 
1 1 1 1   14 5  o 23.63181 0.5657509 0.000000   0.000000 ?         ?        286.2000   13.70000 ?        ?         23.63181 0.5657509 0.000000       0.5657509 
1 1 1 1   14 6  o 39.86513 0.4871486 0.000000   0.000000 ?         ?        814.4000   19.90000 ?        ?         39.86513 0.4871486 0.000000       0.4871486 
1 1 1 1   14 7  o 55.76360 0.5460161 0.000000   0.000000 ?         ?        1593.600   31.20000 ?        ?         55.76360 0.5460161 0.000000       0.5460161 
1 1 1 1   14 8  o 68.84823 0.7484155 0.000000   0.000000 ?         ?        2429.800   52.80000 ?        ?         68.84823 0.7484155 0.000000       0.7484155 
1 1 1 1   14 9  o 58.73170 0.6829216 0.000000   0.000000 ?         ?        1768.100   41.10000 ?        ?         58.73170 0.6829216 0.000000       0.6829216 
1 1 1 1   14 10 o 57.16068 0.8229080 0.000000   0.000000 ?         ?        1675.200   48.20000 ?        ?         57.16068 0.8229080 0.000000       0.8229080 
1 1 1 1   14 11 o 56.41948 0.8735021 0.000000   0.000000 ?         ?        1632.300   50.50000 ?        ?         56.41948 0.8735021 0.000000       0.8735021 
1 1 1 1   14 12 o 35.83263 0.6509099 0.000000   0.000000 ?         ?        658.2000   23.90000 ?        ?         35.83263 0.6509099 0.000000       0.6509099 
1 1 1 1   14 13 o 17.85402 1.026459  0.000000   0.000000 ?         ?        164.1000   18.70000 ?        ?         17.85402 1.026459  0.000000       1.026459  
1 1 1 1   14 14 o 49.35914 0.7691015 0.000000   0.000000 ?         ?        1249.400   38.90000 ?        ?         49.35914 0.7691015 0.000000       0.7691015 
1 1 1 1   14 15 o 82.00322 1.050828  0.000000   0.000000 ?         ?        3451.900   88.30000 ?        ?         82.00322 1.050828  0.000000       1.050828  
1 1 1 1   14 16 o 95.57047 1.176333  0.000000   0.000000 ?         ?        4691.900   115.2000 ?        ?         95.57047 1.176333  0.000000       1.176333  
1 1 1 1   14 17 f 86.44116 0.7919704 3833.215   70.15004 3848.900  135.2000 3816.300   145.8000 86.46857 1.525879  86.06635 1.653201  0.4022217      2.249751  
1 1 1 1   15 0  o 31.07512 0.4930471 0.000000   0.000000 ?         ?        494.9000   15.70000 ?        ?         31.07512 0.4930471 0.000000       0.4930471 
1 1 1 1   15 1  o 103.6100 0.8759568 0.000000   0.000000 ?         ?        5505.100   93.00000 ?        ?         103.6100 0.8759568 0.000000       0.8759568 
1 1 1 1   15 2  o 26.47897 0.6302264 0.000000   0.000000 ?         ?        359.4000   17.10000 ?        ?         26.47897 0.6302264 0.000000       0.6302264 
1 1 1 1   15 3  o 19.74466 0.6880675 0.000000   0.000000 ?         ?        200.1000   13.90000 ?        ?         19.74466 0.6880675 0.000000       0.6880675 
1 1 1 1   15 4  o 68.09440 0.9243787 0.000000   0.000000 ?         ?        2378.300   64.50000 ?        ?         68.09440 0.9243787 0.000000       0.9243787 
1 1 1 1   15 5  o 77.26560 0.9573807 0.000000   0.000000 ?         ?        3062.500   75.80000 ?        ?         77.26560 0.9573807 0.000000       0.9573807 
1 1 1 1   15 6  o 62.89856 0.8983374 0.000000   0.000000 ?         ?        2029.300   57.90000 ?        ?         62.89856 0.8983374 0.000000       0.8983374 
1 1 1 1   15 7  o 59.61811 0.7988095 0.000000   0.000000 ?         ?        1822.800   48.80000 ?        ?         59.61811 0.7988095 0.000000       0.7988095 
1 1 1 1   15 8  o 25.85972 0.7404254 0.000000   0.000000 ?         ?        343.2000   19.60000 ?        ?         25.85972 0.7404254 0.000000       0.7404254 
1 1 1 1   15 9  o 15.21636 1.169805  0.000000   0.000000 ?         ?        119.6000   18.10000 ?        ?         15.21636 1.169805  0.000000       1.169805  
1 1 1 1   15 10 o 53.88725 0.7732920 0.000000   0.000000 ?         ?        1489.400   42.70000 ?        ?         53.88725 0.7732920 0.000000       0.7732920 
1 1 1 1   15 11 o 50.40143 0.7377067 0.000000   0.000000 ?         ?        1302.900   38.10000 ?        ?         50.40143 0.7377067 0.000000       0.7377067 
1 1 1 1   15 12 o 44.38182 0.7256221 0.000000   0.000000 ?         ?        1010.300   33.00000 ?        ?         44.38182 0.7256221 0.000000       0.7256221 
1 1 1 1   15 13 o 22.08211 0.7967941 0.000000   0.000000 ?         ?        250.5000   18.00000 ?        ?         22.08211 0.7967941 0.000000       0.7967941 
1 1 1 1   16 0  o 19.91290 0.7610247 0.000000   0.000000 ?         ?        203.7000   15.50000 ?        ?         19.91290 0.7610247 0.000000       0.7610247 
1 1 1 1   16 1  o 34.67550 0.6557447 0.000000   0.000000 ?         ?        616.6000   23.30000 ?        ?         34.67550 0.6557447 0.000000       0.6557447 
1 1 1 1   16 2  o 35.34393 0.6516266 0.000000   0.000000 ?         ?        640.6000   23.60000 ?        ?         35.34393 0.6516266 0.000000       0.6516266 
1 1 1 1   16 3  o 60.19817 0.8121870 0.000000   0.000000 ?         ?        1859.300   50.10000 ?        ?         60.19817 0.8121870 0.000000       0.8121870 
1 1 1 1   16 4  o 50.74729 0.7307560 0.000000   0.000000 ?         ?        1321.000   38.00000 ?        ?         50.74729 0.7307560 0.000000       0.7307560 
1 1 1 1   16 5  o 42.34157 0.6430413 0.000000   0.000000 ?         ?        919.4000   27.90000 ?        ?         42.34157 0.6430413 0.000000       0.6430413 
1 1 1 1   16 6  o 2.605027 1.286645  0.000000   0.000000 ?         ?        -28.00000  12.50000 ?        ?         2.605027 1.286645  0.000000       1.286645  
1 1 1 1   16 7  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 2   0  0  o 77.35114 1.325598  3068.400   105.0000 3068.400  105.0000 3068.400   105.0000 77.35114 1.325598  77.35114 1.325598  0.000000       0.000000  
1 1 1 2   0  1  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 2   0  2  o 40.20080 0.8699800 829.2000   35.80000 829.2000  35.80000 829.2000   35.80000 40.20080 0.8699800 40.20080 0.8699800 0.000000       0.000000  
1 1 1 2   0  3  o 163.0480 2.614099  13634.60   436.5000 13634.60  436.5000 13634.60   436.5000 163.0480 2.614099  163.0480 2.614099  0.000000       0.000000  
1 1 1 2   0  4  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 2   0  5  o 340.7939 5.353869  59620.80   1868.600 59620.80  1868.600 59620.80   1868.600 340.7939 5.353869  340.7939 5.353869  0.000000       0.000000  
1 1 1 2   0  6  o 208.8123 3.422634  22371.00   731.9000 22371.00  731.9000 22371.00   731.9000 208.8123 3.422634  208.8123 3.422634  0.000000       0.000000  
1 1 1 2   0  7  o 246.7861 4.002251  31260.30   1011.500 31260.30  1011.500 31260.30   1011.500 246.7861 4.002251  246.7861 4.002251  0.000000       0.000000  
1 1 1 2   0  8  o 393.3764 6.192332  79566.50   2494.700 79566.50  2494.700 79566.50   2494.700 393.3764 6.192332  393.3764 6.192332  0.000000       0.000000  
1 1 1 2   0  9  o 220.7204 3.659645  25004.30   827.2000 25004.30  827.2000 25004.30   827.2000 220.7204 3.659645  220.7204 3.659645  0.000000       0.000000  
1 1 1 2   0  10 o 20.00794 0.8423373 206.2000   17.20000 206.2000  17.20000 206.2000   17.20000 20.00794 0.8423373 20.00794 0.8423373 0.000000       0.000000  
1 1 1 2   0  11 o 240.2406 2.813090  29592.30   692.3000 29592.30  692.3000 29592.30   692.3000 240.2406 2.813090  240.2406 2.813090  0.000000       0.000000  
1 1 1 2   0  12 o 45.03598 0.8088480 1040.200   37.30000 1040.200  37.30000 1040.200   37.30000 45.03598 0.8088480 45.03598 0.8088480 0.000000       0.000000  
1 1 1 2   0  13 o 315.6260 3.573750  51080.90   1155.500 51080.90  1155.500 51080.90   1155.500 315.6260 3.573750  315.6260 3.573750  0.000000       0.000000  
1 1 1 2   0  14 o 99.77754 1.290557  5103.600   131.9000 5103.600  131.9000 5103.600   131.9000 99.77754 1.290557  99.77754 1.290557  0.000000       0.000000  
1 1 1 2   0  15 o 93.12176 1.273825  4445.700   121.5000 4445.700  121.5000 4445.700   121.5000 93.12176 1.273825  93.12176 1.273825  0.000000       0.000000  
1 1 1 2   0  16 o 227.4030 2.670120  26513.40   622.0000 26513.40  622.0000 26513.40   622.0000 227.4030 2.670120  227.4030 2.670120  0.000000       0.000000  
1 1 1 2   0  17 o 320.5473 3.688239  52698.80   1211.100 52698.80  1211.100 52698.80   1211.100 320.5473 3.688239  320.5473 3.688239  0.000000       0.000000  
1 1 1 2   0  18 o 34.98625 0.7819018 628.1000   28.00000 628.1000  28.00000 628.1000   28.00000 34.98625 0.7819018 34.98625 0.7819018 0.000000       0.000000  
1 1 1 2   0  19 o 344.6351 3.937457  60946.90   1390.100 60946.90  1390.100 60946.90   1390.100 344.6351 3.937457  344.6351 3.937457  0.000000       0.000000  
1 1 1 2   0  20 o 73.48206 1.081575  2768.600   81.40000 2768.600  81.40000 2768.600   81.40000 73.48206 1.081575  73.48206 1.081575  0.000000       0.000000  
1 1 1 2   0  21 o 165.6870 2.057492  14078.40   349.2000 14078.40  349.2000 14078.40   349.2000 165.6870 2.057492  165.6870 2.057492  0.000000       0.000000  
1 1 1 2   0  22 o 84.32056 1.145104  3645.400   98.90000 3645.400  98.90000 3645.400   98.90000 84.32056 1.145104  84.32056 1.145104  0.000000       0.000000  
1 1 1 2   0  23 o 30.77594 0.7589011 486.2000   23.90000 486.2000  23.90000 486.2000   23.90000 30.77594 0.7589011 30.77594 0.7589011 0.000000       0.000000  
1 1 1 2   0  24 o 62.72667 0.9900348 2017.700   63.60000 2017.700  63.60000 2017.700   63.60000 62.72667 0.9900348 62.72667 0.9900348 0.000000       0.000000  
1 1 1 2   0  25 o 146.8143 1.795327  11053.70   270.0000 11053.70  270.0000 11053.70   270.0000 146.8143 1.795327  146.8143 1.795327  0.000000       0.000000  
1 1 1 2   0  26 o 117.8852 1.551964  7126.600   187.4000 7126.600  187.4000 7126.600   187.4000 117.8852 1.551964  117.8852 1.551964  0.000000       0.000000  
1 1 1 2   0  27 o 64.83599 1.043692  2155.900   69.30000 2155.900  69.30000 2155.900   69.30000 64.83599 1.043692  64.83599 1.043692  0.000000       0.000000  
1 1 1 2   0  28 o 6.050235 2.538144  26.50000   15.80000 26.50000  15.80000 26.50000   15.80000 6.050235 2.538144  6.050235 2.538144  0.000000       0.000000  
1 1 1 2   0  29 o 55.82912 0.9410254 1598.700   53.80000 1598.700  53.80000 1598.700   53.80000 55.82912 0.9410254 55.82912 0.9410254 0.000000       0.000000  
1 1 1 2   0  30 o 44.65392 0.8858963 1023.100   40.50000 1023.100  40.50000 1023.100   40.50000 44.65392 0.8858963 44.65392 0.8858963 0.000000       0.000000  
1 1 1 2   0  31 o 76.76418 1.086168  3022.600   85.40000 3022.600  85.40000 3022.600   85.40000 76.76418 1.086168  76.76418 1.086168  0.000000       0.000000  
1 1 1 2   0  32 o 51.32219 0.8257330 1351.100   43.40000 1351.100  43.40000 1351.100   43.40000 51.32219 0.8257330 51.32219 0.8257330 0.000000       0.000000  
1 1 1 2   0  33 o 93.71480 1.269921  4507.200   121.9000 4507.200  121.9000 4507.200   121.9000 93.71480 1.269921  93.71480 1.269921  0.000000       0.000000  
1 1 1 2   1  0  o 69.55997 0.4920608 2479.104   35.07329 2234.200  78.50000 2676.900   63.40000 66.03214 1.160155  72.28034 0.8559939 -6.248199      1.441764  
1 1 1 2   1  1  o 163.3843 2.672312  0.000000   0.000000 ?         ?        13684.10   447.4000 ?        ?         163.3843 2.672312  0.000000       2.672312  
1 1 1 2   1  2  o 213.9491 3.283243  0.000000   0.000000 ?         ?        23471.00   719.8000 ?        ?         213.9491 3.283243  0.000000       3.283243  
1 1 1 2   1  3  o 385.4000 6.085776  76307.30   2403.400 76307.30  2403.400 ?          ?        385.4000 6.085776  ?        ?         0.000000       6.085776  
1 1 1 2   1  4  o 332.7591 2.602634  56762.35   887.4451 56581.00  1794.400 56939.80   1755.800 331.9516 5.275287  333.0203 5.145245  -1.068634      7.369002  
1 1 1 2   1  5  o 440.3435 3.411238  99449.56   1539.225 98608.00  3066.000 100298.0   3091.000 437.7915 6.834495  441.5279 6.831915  -3.736359      9.663611  
1 1 1 2   1  6  o 173.6620 1.447473  15455.25   257.5808 14794.20  501.4000 16153.60   529.7000 169.8508 2.880834  177.4812 2.912590  -7.630325      4.096631  
1 1 1 2   1  7  o 134.7067 1.145205  9298.762   158.0779 9612.600  326.1000 9003.500   306.8000 136.9227 2.324219  132.5163 2.259371  4.406311       3.241412  
1 1 1 2   1  8  o 97.34800 0.7126357 4855.739   71.08746 4540.500  113.8000 5380.400   189.4000 94.12883 1.179835  102.4514 1.804113  -8.322578      2.155651  
1 1 1 2   1  9  o 50.42820 0.4307692 1302.944   22.25955 1245.800  36.40000 1392.900   57.30000 49.30886 0.7204072 52.13659 1.072540  -2.827728      1.292025  
1 1 1 2   1  10 o 75.84212 0.6146281 2947.176   47.76626 3198.100  89.00000 2656.500   103.1000 79.00142 1.099403  71.99912 1.397440  7.002296       1.778067  
1 1 1 2   1  11 o 83.61171 0.6704083 3581.935   57.43874 3312.400  94.40000 4000.800   146.7000 80.40167 1.145799  88.35783 1.620267  -7.956154      1.984470  
1 1 1 2   1  12 o 281.6437 1.897433  40650.93   547.6017 42277.00  974.4000 38564.60   1250.200 287.1525 3.311512  274.1762 4.449911  12.97623       5.546875  
1 1 1 2   1  13 o 307.4568 2.043536  48445.56   643.8204 49202.00  1120.000 47422.80   1514.300 309.7649 3.528478  304.0027 4.861117  5.762207       6.006714  
1 1 1 2   1  14 o 40.23654 0.4495960 829.4988   18.53709 741.1000  30.20000 970.0000   48.00000 38.03165 0.7749317 43.50951 1.076611  -5.477859      1.326503  
1 1 1 2   1  15 o 71.68948 0.5127196 2633.224   37.66463 2622.800  74.10000 2644.000   76.60000 71.54543 1.010737  71.83383 1.040642  -0.2884064     1.450698  
1 1 1 2   1  16 f 167.6660 1.027824  14404.44   176.5883 13820.20  337.9000 15044.00   369.9000 164.2104 2.008118  171.3239 2.107017  -7.113464      2.910680  
1 1 1 2   1  17 o 62.15918 0.4999414 1979.654   31.84364 1993.700  64.60000 1966.000   62.80000 62.37698 1.010671  61.94227 0.9894051 0.4347115      1.414347  
1 1 1 2   1  18 o 91.75279 0.6293296 4313.480   59.16922 4610.400  121.1000 4029.800   115.7000 94.85149 1.245953  88.67778 1.273269  6.173714       1.781464  
1 1 1 2   1  19 o 148.4726 0.9193403 11295.79   139.8689 11517.40  281.6000 11077.10   277.9000 149.8935 1.833376  146.9999 1.844901  2.893539       2.600947  
1 1 1 2   1  20 o 12.07718 0.6222139 74.93452   7.674267 112.7000  15.50000 37.90000   15.20000 14.79405 1.028871  8.436840 1.812270  6.357208       2.083962  
1 1 1 2   1  21 o 78.67014 0.5662137 3171.175   45.64452 3150.800  90.30000 3192.000   92.30000 78.40855 1.123896  78.91916 1.141355  -0.5106125     1.601822  
1 1 1 2   1  22 o 54.68571 0.4892302 1532.293   27.41483 1553.100  60.40000 1515.000   50.20000 55.04957 1.070742  54.37240 0.9010043 0.6771660      1.399391  
1 1 1 2   1  23 o 207.3253 1.237455  22031.80   262.8936 22397.10  531.6000 21674.40   520.1000 208.9081 2.483312  205.5118 2.469742  3.396255       3.502352  
1 1 1 2   1  24 o 122.0875 0.8046158 7638.178   100.6603 8073.200  205.4000 7220.100   197.4000 125.4824 1.597421  118.6660 1.623388  6.816360       2.277530  
1 1 1 2   1  25 o 49.60925 0.4403775 1261.011   22.38650 1213.800  43.70000 1310.600   45.90000 48.66751 0.8762820 50.57078 0.8857572 -1.903263      1.245968  
1 1 1 2   1  26 o 145.1252 0.8962901 10793.65   133.2876 11515.60  283.7000 10153.90   251.4000 149.8357 1.847760  140.7069 1.743619  9.128876       2.540556  
1 1 1 2   1  27 o 93.93352 0.6402243 4521.462   61.62418 4497.700  122.8000 4545.400   123.7000 93.66396 1.279462  94.15920 1.282061  -0.4952469     1.811271  
1 1 1 2   1  28 o 54.27779 0.4471065 1509.567   24.86747 1384.700  48.00000 1643.800   51.60000 51.97719 0.9012184 56.63196 0.8891801 -4.654770      1.266032  
1 1 1 2   1  29 o 112.0894 0.7519942 6439.274   86.37291 6465.100  173.6000 6413.700   171.9000 112.2596 1.509135  111.8132 1.500321  0.4463120      2.128016  
1 1 1 2   1  30 o 89.26075 0.6158918 4083.256   56.33305 3767.900  103.3000 4461.500   123.9000 85.71404 1.176116  93.26031 1.296511  -7.546272      1.750482  
1 1 1 2   1  31 o 73.77097 0.5286300 2789.027   39.96094 2779.000  77.50000 2799.700   82.50000 73.61158 1.027442  73.88068 1.089745  -0.2691040     1.497725  
1 1 1 2   1  32 o 6.955286 1.098320  25.42574   7.568317 7.200000  15.60000 42.60000   14.70000 5.095985 2.016056  8.962000 1.661893  -3.866014      2.612733  
1 1 1 2   1  33 o 39.64431 0.3720910 805.4041   15.11570 839.0000  29.50000 770.1000   31.00000 40.45234 0.7116722 38.75298 0.7806534 1.699360       1.056360  
1 1 1 2   2  0  o 245.0967 1.592678  30783.95   400.0035 30645.80  991.3000 30877.40   670.6000 244.4281 3.957815  245.4272 2.666506  -0.9990387     4.772269  
1 1 1 2   2  1  o 158.8878 1.415735  0.000000   0.000000 ?         ?        12936.40   230.5000 ?        ?         158.8878 1.415735  0.000000       1.415735  
1 1 1 2   2  2  o 130.7631 1.491864  0.000000   0.000000 ?         ?        8762.200   199.9000 ?        ?         130.7631 1.491864  0.000000       1.491864  
1 1 1 2   2  3  o 426.6761 3.339592  93361.26   1460.125 91595.20  2869.900 95190.40   2972.400 422.0466 6.636024  430.2245 6.742389  -8.177856      9.460266  
1 1 1 2   2  4  o 295.1034 1.934274  44634.14   584.9120 43546.00  1394.500 45420.30   1007.500 291.2403 4.672709  297.5922 3.303887  -6.351898      5.722751  
1 1 1 2   2  5  o 169.4643 0.9693871 14715.29   168.3347 15454.20  353.1000 14042.10   321.7000 173.6386 1.984509  165.5187 1.896731  8.119904       2.745153  
1 1 1 2   2  6  o 72.10125 0.5402861 2663.612   39.91764 2671.800  69.60000 2652.600   93.60000 72.20911 0.9406300 71.94568 1.269617  0.2634354      1.580099  
1 1 1 2   2  7  o 140.6958 0.9728730 10143.60   140.2606 10062.70  239.7000 10257.70   338.1000 140.1144 1.669501  141.4376 2.332824  -1.323120      2.868676  
1 1 1 2   2  8  f 27.12157 0.3199442 376.8810   8.891753 332.6000  13.80000 457.1000   25.00000 25.47818 0.5285820 29.85644 0.8179242 -4.378260      0.9738578 
1 1 1 2   2  9  o 182.9116 1.255132  17144.70   235.2497 17716.90  413.4000 16389.10   545.9000 185.9054 2.170102  178.7604 2.980186  7.144958       3.686577  
1 1 1 2   2  10 o 110.1598 0.8003788 6217.833   90.34772 5893.800  148.3000 6723.000   231.2000 107.2455 1.349471  114.5313 1.969996  -7.285767      2.387877  
1 1 1 2   2  11 o 358.7731 2.348382  65974.23   863.3499 67081.20  1491.800 64453.50   2049.400 361.6364 4.025688  354.2904 5.645065  7.345978       6.933464  
1 1 1 2   2  12 o 249.0453 1.688313  31783.73   430.8536 32002.60  735.9000 31474.60   1039.400 249.8578 2.874269  247.7203 4.094706  2.137497       5.002803  
1 1 1 2   2  13 o 358.3897 2.348089  65832.43   862.3201 66132.90  1480.500 65413.30   2065.200 359.0784 4.023655  356.9321 5.646484  2.146271       6.933440  
1 1 1 2   2  14 o 123.4592 0.9204580 7809.834   116.4464 8052.200  198.6000 7466.300   281.5000 125.3534 1.546126  120.6947 2.276102  4.658669       2.751572  
1 1 1 2   2  15 f 89.27631 0.7132437 4083.739   65.24880 4579.100  121.9000 3513.200   140.4000 94.53208 1.258421  82.79826 1.654808  11.73383       2.078945  
1 1 1 2   2  16 o 219.7736 1.494840  24751.64   336.6422 24947.00  575.5000 24476.30   811.1000 220.5984 2.545919  218.4441 3.623562  2.154312       4.428534  
1 1 1 2   2  17 o 287.7203 1.929720  42430.62   568.9359 41155.20  938.5000 44394.10   1444.800 283.2629 3.233301  294.0046 4.795735  -10.74173      5.783884  
1 1 1 2   2  18 o 266.2223 1.555943  36324.18   424.4598 35868.40  832.5000 36798.30   866.0000 264.4247 3.072443  267.8213 3.155545  -3.396637      4.404245  
1 1 1 2   2  19 o 298.1307 1.704772  45560.50   520.8006 46517.90  1064.900 44644.10   1019.300 301.0249 3.452296  294.9128 3.372951  6.112091       4.826504  
1 1 1 2   2  20 o 223.7250 1.321572  25653.84   302.9728 25634.50  598.1000 25673.70   614.0000 223.5250 2.611256  223.6877 2.678724  -0.1627045     3.740885  
1 1 1 2   2  21 o 98.21526 0.6935604 4942.834   69.80099 4918.400  136.0000 4968.600   143.4000 97.95638 1.354902  98.45284 1.421420  -0.4964676     1.963719  
1 1 1 2   2  22 o 119.9084 0.7695831 7367.713   94.55914 7441.000  191.6000 7296.300   186.7000 120.4756 1.552023  119.2996 1.527239  1.176010       2.177437  
1 1 1 2   2  23 o 99.45860 0.6520197 5068.776   66.45099 4620.600  123.1000 5594.500   144.4000 94.94468 1.265287  104.4694 1.348900  -9.524734      1.849454  
1 1 1 2   2  24 o 168.1798 1.022240  14495.93   176.1672 14582.00  354.7000 14411.00   350.0000 168.6017 2.053057  167.6117 2.037818  0.9899902      2.892705  
1 1 1 2   2  25 o 58.43079 0.4698540 1749.370   28.13216 1531.300  51.50000 2011.900   62.00000 54.66246 0.9194321 62.65509 0.9656882 -7.992634      1.333383  
1 1 1 2   2  26 o 89.75264 0.6140273 4127.808   56.47202 4052.800  108.9000 4208.600   117.3000 88.91725 1.195208  90.60762 1.263383  -1.690369      1.739154  
1 1 1 2   2  27 o 109.7181 0.7238057 6169.044   81.37641 6650.900  171.2000 5732.500   155.1000 113.8846 1.467035  105.7318 1.431554  8.152710       2.049765  
1 1 1 2   2  28 o 69.15620 0.5079482 2450.668   35.99556 2452.300  71.20000 2449.000   72.80000 69.16674 1.004579  69.11940 1.027858  0.4734039E-01  1.437245  
1 1 1 2   2  29 o 100.4993 0.6681636 5176.188   68.80883 5470.800  147.6000 4918.900   128.9000 103.2736 1.394757  97.93461 1.284453  5.338997       1.896093  
1 1 1 2   2  30 o 83.58699 0.5928904 3580.637   50.78220 3634.300  104.6000 3530.000   98.70000 84.17567 1.212681  82.96282 1.161008  1.212845       1.678850  
1 1 1 2   2  31 o 28.04377 0.3982505 403.0039   11.44435 363.6000  21.40000 448.3000   24.60000 26.61993 0.7853870 29.55933 0.8129330 -2.939404      1.130351  
1 1 1 2   2  32 o 29.35001 0.3980297 441.4384   11.97077 450.2000  24.40000 433.0000   23.50000 29.61998 0.8046539 29.04904 0.7902078 0.5709457      1.127784  
1 1 1 2   2  33 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 2   3  0  o 21.07986 0.2404090 227.6702   5.192983 220.4000  14.80000 231.6000   8.000000 20.72841 0.6977772 21.26094 0.3672055 -0.5325241     0.7885004 
1 1 1 2   3  1  f 199.8749 1.808482  0.000000   0.000000 ?         ?        20474.80   370.4000 ?        ?         199.8749 1.808482  0.000000       1.808482  
1 1 1 2   3  2  o 175.1191 1.013865  15713.78   181.9331 17158.70  527.2000 14952.40   277.8000 182.9293 2.812509  170.8109 1.587151  12.11835       3.229435  
1 1 1 2   3  3  o 42.53146 0.3268163 926.8175   14.24336 869.1000  30.40000 977.7000   26.80000 41.18489 0.7203396 43.68274 0.5987239 -2.497841      0.9366747 
1 1 1 2   3  4  o 261.2103 1.451776  34967.82   388.5870 34176.00  759.4000 35797.60   795.8000 258.1324 2.870977  264.1785 2.939734  -6.046112      4.109081  
1 1 1 2   3  5  f 227.0478 1.281332  26418.40   298.1106 26628.30  600.4000 26211.40   592.1000 227.8658 2.571362  226.0763 2.555887  1.789490       3.625529  
1 1 1 2   3  6  o 183.8534 1.050359  17321.40   197.8827 16784.60  387.4000 17881.90   404.5000 180.9380 2.089447  186.7575 2.113694  -5.819412      2.972119  
1 1 1 2   3  7  o 147.1531 0.8826630 11095.66   133.0953 11588.40  271.7000 10622.50   260.9000 150.3612 1.763419  143.9583 1.768638  6.402847       2.497544  
1 1 1 2   3  8  o 265.3543 1.504722  36085.28   409.1483 35926.10  820.0000 36243.80   816.6000 264.6671 3.023538  265.8371 2.997751  -1.169952      4.257733  
1 1 1 2   3  9  o 207.1771 1.207668  21994.13   256.3821 22166.70  524.0000 21828.80   502.0000 207.9469 2.459124  206.3596 2.374000  1.587341       3.418065  
1 1 1 2   3  10 o 426.1251 2.756831  93084.03   1203.776 90941.20  2009.300 96286.30   3002.700 420.9827 4.657815  432.8101 6.770429  -11.82739      8.217904  
1 1 1 2   3  11 o 141.4272 0.9896411 10248.54   143.4198 10751.30  257.2000 9614.800   324.2000 144.8451 1.732881  136.9653 2.309959  7.879837       2.887696  
1 1 1 2   3  12 o 416.7634 2.695999  89034.45   1151.351 89674.70  1978.900 88143.70   2753.200 418.0631 4.619380  414.1928 6.486893  3.870239       7.963571  
1 1 1 2   3  13 o 186.7136 1.297140  17863.74   248.1768 17311.90  417.7000 18671.60   611.5000 183.7859 2.217962  190.8338 3.127107  -7.047958      3.833817  
1 1 1 2   3  14 o 325.5812 2.128594  54329.73   710.1506 54737.90  1229.500 53771.60   1681.200 326.6901 3.672774  323.6428 5.069383  3.047333       6.260025  
1 1 1 2   3  15 o 72.14956 0.6044014 2667.161   44.68456 2588.500  73.70000 2788.300   113.5000 71.07569 1.011924  73.76395 1.501597  -2.688255      1.810741  
1 1 1 2   3  16 o 108.9614 0.8044480 6083.331   89.81919 5940.600  148.5000 6301.800   227.3000 107.6694 1.345971  110.8825 2.000497  -3.213089      2.411146  
1 1 1 2   3  17 o 34.09108 0.4175354 595.4690   14.58587 574.6000  23.30000 630.4000   39.00000 33.48778 0.6790022 35.05775 1.086944  -1.569969      1.281597  
1 1 1 2   3  18 o 25.11451 0.4266797 323.1689   10.98057 314.5000  18.70000 335.5000   26.60000 24.76372 0.7377546 25.56731 1.017340  -0.8035908     1.256687  
1 1 1 2   3  19 o 89.06707 0.7105349 4064.843   64.84865 4258.300  111.6000 3796.500   154.8000 91.15403 1.194785  86.05621 1.755458  5.097824       2.123475  
1 1 1 2   3  20 o 2.950043 1.338691  -5.336312  8.775418 8.300000  15.40000 -23.40000  20.40000 5.178429 2.016644  4.021768 1.897609  1.156661       2.769074  
1 1 1 2   3  21 o 19.95008 0.4487273 203.9291   9.173297 172.0000  18.60000 235.0000   18.10000 18.29298 0.9960283 21.39878 0.8270076 -3.105803      1.294610  
1 1 1 2   3  22 o 72.16953 0.5490260 2668.768   40.60178 2806.400  84.10000 2540.300   78.50000 73.99795 1.109118  70.40282 1.088131  3.595123       1.553761  
1 1 1 2   3  23 o 170.6031 1.042065  14916.75   182.1714 14515.70  358.2000 15331.80   370.7000 168.2179 2.078045  172.8806 2.092561  -4.662628      2.949082  
1 1 1 2   3  24 o 91.81254 0.6185634 4319.385   58.19485 4459.400  119.1000 4185.600   113.8000 93.27248 1.246120  90.36430 1.228986  2.908173       1.750206  
1 1 1 2   3  25 o 185.3305 1.105976  17604.92   210.0346 17850.50  423.7000 17363.50   416.5000 186.5074 2.216992  183.9466 2.209657  2.560791       3.130118  
1 1 1 2   3  26 o 81.10116 0.5838896 3370.369   48.52396 3431.200  97.50000 3310.100   96.60000 81.81441 1.162991  80.35732 1.173149  1.457085       1.651917  
1 1 1 2   3  27 o 243.1927 1.402184  30328.15   349.4251 30146.00  693.0000 30513.40   704.8000 242.1504 2.792863  243.6123 2.823373  -1.461929      3.971338  
1 1 1 2   3  28 o 28.24465 0.7525654 409.1466   21.76164 160.9000  33.80000 857.9000   61.10000 17.60226 1.904196  40.87072 1.461269  -23.26845      2.400264  
1 1 1 2   3  29 o 25.78312 0.3981895 340.6309   10.52019 351.1000  21.50000 330.6000   20.60000 26.15988 0.8030061 25.38440 0.7929302 0.7754860      1.128520  
1 1 1 2   3  30 o 56.32840 0.4870969 1625.959   28.11520 1685.500  57.30000 1568.600   55.20000 57.33333 0.9753243 55.30946 0.9739604 2.023869       1.378353  
1 1 1 2   3  31 o 77.78187 0.5453583 3100.731   43.46690 3216.900  89.40000 2990.800   84.60000 79.18647 1.101763  76.35480 1.081274  2.831665       1.543708  
1 1 1 2   3  32 o 70.85314 0.5970014 2573.306   43.34439 2393.100  69.60000 2870.800   114.9000 68.29869 0.9944856 74.74322 1.500202  -6.444527      1.799891  
1 1 1 2   4  0  o 102.6163 0.9995115 0.000000   0.000000 ?         ?        5395.900   105.1000 ?        ?         102.6163 0.9995115 0.000000       0.9995115 
1 1 1 2   4  1  o 174.6378 1.608253  0.000000   0.000000 ?         ?        15631.80   287.8000 ?        ?         174.6378 1.608253  0.000000       1.608253  
1 1 1 2   4  2  o 98.75904 1.000012  0.000000   0.000000 ?         ?        4997.900   101.2000 ?        ?         98.75904 1.000012  0.000000       1.000012  
1 1 1 2   4  3  o 127.9942 0.8652090 8394.573   113.4775 7870.000  250.0000 8830.600   207.8000 123.9010 1.969096  131.2598 1.544953  -7.358841      2.502842  
1 1 1 2   4  4  o 127.5573 0.7537357 8337.109   98.51967 8342.700  198.5000 8331.600   195.6000 127.5838 1.518332  127.4995 1.497139  0.8429718E-01  2.132313  
1 1 1 2   4  5  o 131.3503 0.7765466 8840.268   104.5194 9279.700  219.9000 8442.200   199.2000 134.5578 1.594843  128.3444 1.514656  6.213409       2.199479  
1 1 1 2   4  6  o 193.0815 1.117062  19103.46   221.0122 19304.60  449.6000 18909.00   434.7000 194.0523 2.261045  192.0563 2.208833  1.996033       3.160896  
1 1 1 2   4  7  o 32.21624 0.2842811 531.7668   9.384715 386.7000  16.10000 734.5000   22.50000 27.47238 0.5719147 37.86211 0.5799350 -10.38974      0.8145005 
1 1 1 2   4  8  o 253.3383 1.441104  32888.19   374.1059 32498.40  742.9000 33283.60   753.6000 251.7719 2.879551  254.7949 2.886368  -3.023026      4.077124  
1 1 1 2   4  9  o 185.3591 1.086464  17604.80   206.3609 16845.70  396.1000 18430.40   430.8000 181.2980 2.132128  189.6315 2.217005  -8.333481      3.075888  
1 1 1 2   4  10 o 343.9459 1.920726  60625.33   676.9459 60357.70  1341.900 60897.80   1366.100 343.0632 3.817224  344.5902 3.868844  -1.526978      5.434993  
1 1 1 2   4  11 o 12.30201 1.041025  0.000000   0.000000 ?         ?        78.10000   13.00000 ?        ?         12.30201 1.041025  0.000000       1.041025  
1 1 1 2   4  12 o 292.1443 1.655324  43737.09   495.5401 44101.70  1002.100 43380.40   980.3000 293.2703 3.334607  290.8653 3.289037  2.404999       4.683734  
1 1 1 2   4  13 o 258.2961 1.482305  34188.36   392.3319 32955.10  760.6000 35502.20   810.3000 253.5317 2.927694  263.1424 3.005085  -9.610687      4.195465  
1 1 1 2   4  14 o 95.22924 0.7256094 4646.528   70.80625 4633.900  121.4000 4664.200   169.9000 95.09557 1.245834  95.39996 1.737988  -0.3043900     2.138388  
1 1 1 2   4  15 f 268.0931 1.788351  36836.25   491.2887 38477.40  874.4000 34731.70   1121.300 273.9131 3.115294  260.1378 4.206491  13.77521       5.234465  
1 1 1 2   4  16 f 191.9177 1.339560  18875.24   263.4364 19021.80  447.0000 18664.90   641.5000 192.6227 2.264653  190.7423 3.282096  1.880417       3.987582  
1 1 1 2   4  17 o 188.8513 1.312277  18277.57   253.9476 18341.10  436.3000 18189.10   607.6000 189.1327 2.251232  188.2803 3.149304  0.8524475      3.871196  
1 1 1 2   4  18 o 53.80742 0.5121173 1483.452   28.23644 1471.700  47.70000 1500.500   69.20000 53.59148 0.8686090 54.10937 1.248059  -0.5178909     1.520570  
1 1 1 2   4  19 o 213.2897 1.490212  23319.59   325.6989 23362.30  560.7000 23260.40   777.1000 213.3826 2.564326  212.7732 3.564196  0.6093597      4.390815  
1 1 1 2   4  20 o 84.58260 0.6793349 3665.896   58.87940 3591.900  103.2000 3764.200   137.1000 83.71436 1.203043  85.68817 1.561414  -1.973808      1.971124  
1 1 1 2   4  21 o 45.91417 0.4784768 1080.160   22.51158 1246.800  41.50000 882.6000   49.20000 49.32598 0.8210582 41.48128 1.158618  7.844707       1.420046  
1 1 1 2   4  22 o 96.25160 0.7609496 4747.386   75.05199 4710.700  125.1000 4802.400   187.6000 95.86505 1.273499  96.76720 1.891935  -0.9021454     2.280618  
1 1 1 2   4  23 o 76.91976 0.5545155 3031.683   43.70691 2964.700  83.10000 3106.000   92.20000 76.05596 1.066275  77.84502 1.155851  -1.789063      1.572556  
1 1 1 2   4  24 o 137.4472 0.8631749 9681.503   121.5718 9642.900  239.5000 9721.300   246.9000 137.1259 1.704464  137.6787 1.750072  -0.5528717     2.442938  
1 1 1 2   4  25 o 82.73783 0.5828750 3507.752   49.41717 3826.800  106.1000 3229.600   92.50000 86.40189 1.198378  79.37628 1.137241  7.025612       1.652098  
1 1 1 2   4  26 o 74.43011 0.5095330 2838.655   38.86148 2831.000  76.30000 2846.600   79.20000 74.31820 1.001915  74.52156 1.037158  -0.2033615     1.442058  
1 1 1 2   4  27 o 25.60217 0.3877601 335.8564   10.17275 312.0000  18.50000 365.0000   22.60000 24.66296 0.7328418 26.67358 0.8278561 -2.010624      1.105623  
1 1 1 2   4  28 o 55.60723 0.4441933 1584.463   25.31055 1614.000  48.70000 1552.500   52.70000 56.11441 0.8469468 55.03237 0.9345316 1.082043       1.261217  
1 1 1 2   4  29 o 88.45532 0.6095464 4009.928   55.24959 3999.400  110.8000 4020.400   110.2000 88.30200 1.224534  88.53432 1.214707  -0.2323151     1.724818  
1 1 1 2   4  30 o 25.47598 0.3859151 332.5777   10.07444 315.3000  20.30000 349.6000   20.00000 24.78658 0.8002959 26.10388 0.7484714 -1.317293      1.095757  
1 1 1 2   4  31 o 12.73585 0.6236354 83.34286   8.113989 99.00000  13.70000 60.60000   19.90000 13.85878 0.9708518 10.69687 1.884317  3.161915       2.119718  
1 1 1 2   4  32 o 84.41161 0.6644921 3652.981   57.47651 3621.600  97.90000 3697.600   139.2000 83.99704 1.137419  84.79668 1.601998  -0.7996445     1.964718  
1 1 1 2   5  0  o 98.48255 0.9592189 0.000000   0.000000 ?         ?        4969.800   96.80000 ?        ?         98.48255 0.9592189 0.000000       0.9592189 
1 1 1 2   5  1  o 144.9744 1.181374  0.000000   0.000000 ?         ?        10770.30   175.5000 ?        ?         144.9744 1.181374  0.000000       1.181374  
1 1 1 2   5  2  o 122.6375 1.021747  0.000000   0.000000 ?         ?        7706.700   128.4000 ?        ?         122.6375 1.021747  0.000000       1.021747  
1 1 1 2   5  3  o 129.8208 0.7888429 8635.459   104.9380 9422.300  298.6000 8209.100   161.8000 135.5774 2.149335  126.5691 1.247535  9.008354       2.485152  
1 1 1 2   5  4  o 67.71776 0.4954948 2349.544   34.38270 2634.500  90.10000 2173.700   55.60000 71.70245 1.226288  65.13304 0.8330576 6.569412       1.482487  
1 1 1 2   5  5  o 113.9494 0.7874371 6652.963   91.94464 6335.200  206.1000 6908.900   166.0000 111.1826 1.809017  116.1142 1.395162  -4.931511      2.284517  
1 1 1 2   5  6  o 141.6108 0.9584138 10275.20   139.0746 10065.20  321.5000 10435.30   245.1000 140.1351 2.238906  142.6998 1.676184  -2.564728      2.796836  
1 1 1 2   5  7  f 136.7615 0.7980304 9583.302   111.8360 9723.500  226.2000 9446.200   221.2000 137.7492 1.602526  135.7710 1.589936  1.978226       2.257430  
1 1 1 2   5  8  o 218.5615 1.251281  24477.18   280.2379 23678.90  541.7000 25332.80   580.6000 214.9357 2.459528  222.3121 2.548682  -7.376312      3.541901  
1 1 1 2   5  9  o 231.2956 1.325218  27412.95   314.0891 27091.20  624.5000 27738.50   631.9000 229.8923 2.650999  232.6226 2.650929  -2.730255      3.749029  
1 1 1 2   5  10 o 205.2411 1.169280  21584.41   245.9129 21050.80  477.8000 22150.30   506.7000 202.6592 2.300813  207.8816 2.378682  -5.222397      3.309361  
1 1 1 2   5  11 o 80.55421 0.5364606 3324.715   44.28172 3449.500  90.40000 3204.900   86.80000 82.04926 1.075215  79.08680 1.071069  2.962463       1.517655  
1 1 1 2   5  12 o 102.4578 0.6495525 5378.656   68.19583 5330.600  131.9000 5430.100   141.2000 101.9942 1.262033  102.9409 1.338593  -0.9466553     1.839717  
1 1 1 2   5  13 o 66.48827 0.4776854 2264.996   32.54508 2216.500  64.30000 2314.700   65.90000 65.77059 0.9540714 67.21174 0.9568457 -1.441147      1.351224  
1 1 1 2   5  14 o 354.9859 1.984543  64590.71   721.8883 64420.60  1438.000 64762.20   1449.600 354.2998 3.960861  355.2347 3.982304  -0.9349365     5.616686  
1 1 1 2   5  15 o 94.81354 0.6085342 4606.061   59.12262 4747.200  119.0000 4466.700   117.5000 96.24855 1.206575  93.36141 1.228209  2.887138       1.721720  
1 1 1 2   5  16 o 166.0203 1.016390  14124.07   172.9099 15074.50  359.9000 13245.20   332.8000 171.4737 2.048265  160.7345 2.020580  10.73921       2.877174  
1 1 1 2   5  17 o 134.5314 0.8431499 9274.142   116.2323 9025.800  225.3000 9538.800   240.1000 132.6927 1.656974  136.4090 1.717714  -3.716202      2.386652  
1 1 1 2   5  18 o 225.9934 1.541223  26181.35   356.9107 24890.20  591.9000 28142.40   899.0000 220.2390 2.622743  233.9972 3.749305  -13.75819      4.575595  
1 1 1 2   5  19 o 94.83835 0.7223617 4608.860   70.20000 4532.300  117.0000 4723.700   175.5000 94.03606 1.214208  95.98045 1.784415  -1.944382      2.158342  
1 1 1 2   5  20 o 93.24250 0.7326008 4455.107   69.99704 4513.600  121.3000 4375.300   165.5000 93.83949 1.261470  92.37267 1.748462  1.466812       2.156020  
1 1 1 2   5  21 o 122.6997 0.9161713 7715.397   115.1910 7694.100  197.5000 7745.200   276.4000 122.5019 1.573352  122.8673 2.195349  -0.3654022     2.700924  
1 1 1 2   5  22 f 78.21674 0.6253330 3134.862   50.11981 2977.000  83.40000 3372.600   125.6000 76.21343 1.067914  81.10556 1.511265  -4.892128      1.850503  
1 1 1 2   5  23 o 51.07401 0.5074822 1336.607   26.55945 1353.900  45.30000 1312.100   64.20000 51.39938 0.8600861 50.59332 1.238350  0.8060684      1.507733  
1 1 1 2   5  24 o 192.7121 1.347951  19039.68   266.1837 18932.40  445.1000 19199.30   662.2000 192.0586 2.261650  193.2047 3.344823  -1.146057      4.037685  
1 1 1 2   5  25 o 114.3081 0.8880215 6696.707   104.0157 6607.000  173.6000 6830.800   259.5000 113.5069 1.492551  115.3528 2.195387  -1.845901      2.654700  
1 1 1 2   5  26 o 15.14540 0.4936808 117.6632   7.651466 77.80000  14.50000 162.2000   16.20000 12.26336 1.167965  17.76695 0.8926834 -5.503584      1.470043  
1 1 1 2   5  27 o 53.82213 0.4555392 1484.369   25.12378 1431.000  50.60000 1537.000   49.90000 52.83560 0.9345994 54.75882 0.8892997 -1.923214      1.290089  
1 1 1 2   5  28 o 54.89222 0.4591454 1544.025   25.82613 1485.300  47.50000 1614.000   56.60000 53.82817 0.8611634 56.10733 0.9844608 -2.279160      1.307962  
1 1 1 2   5  29 o 10.41464 0.7624333 55.89876   8.080246 53.80000  17.00000 57.80000   15.40000 10.09677 1.703683  10.50990 1.470120  -0.4131269     2.250286  
1 1 1 2   5  30 o 69.27255 0.5015067 2459.323   35.59888 2638.200  74.00000 2293.500   68.60000 71.71632 1.006967  66.86771 1.001173  4.848618       1.419976  
1 1 1 2   5  31 o 33.92405 0.4229254 589.7819   14.70178 612.4000  24.10000 554.4000   37.70000 34.56161 0.6804945 32.84713 1.121717  1.714485       1.311992  
1 1 1 2   6  0  o 69.93799 0.8037314 0.000000   0.000000 ?         ?        2506.200   57.60000 ?        ?         69.93799 0.8037314 0.000000       0.8037314 
1 1 1 2   6  1  o 62.56198 0.6052334 0.000000   0.000000 ?         ?        2005.400   38.80000 ?        ?         62.56198 0.6052334 0.000000       0.6052334 
1 1 1 2   6  2  o 44.93640 0.4886364 0.000000   0.000000 ?         ?        1034.600   22.50000 ?        ?         44.93640 0.4886364 0.000000       0.4886364 
1 1 1 2   6  3  o 288.4477 2.632848  0.000000   0.000000 ?         ?        42649.30   778.2000 ?        ?         288.4477 2.632848  0.000000       2.632848  
1 1 1 2   6  4  o 213.1533 1.238237  23280.82   270.4545 23352.20  732.1000 23239.00   428.9000 213.4089 3.347800  212.9447 1.965580  0.4641876      3.882173  
1 1 1 2   6  5  o 193.0549 1.280269  19097.60   253.2680 18147.10  573.3000 19849.80   453.7000 188.1428 2.973691  196.7970 2.249841  -8.654175      3.728891  
1 1 1 2   6  6  o 286.9536 1.857426  42198.49   546.1622 42553.80  1313.500 41945.60   934.9000 287.9940 4.450904  286.0251 3.189795  1.968933       5.475887  
1 1 1 2   6  7  o 92.66065 0.6632765 4399.193   62.97792 4970.000  164.1000 4043.700   102.2000 98.48092 1.626141  88.83524 1.122709  9.645676       1.976059  
1 1 1 2   6  8  o 132.7845 0.9087788 9034.217   123.6528 8996.700  287.1000 9062.600   217.2000 132.4903 2.114710  132.9843 1.593899  -0.4940643     2.648115  
1 1 1 2   6  9  o 218.8631 1.448427  24546.28   324.8384 24200.80  755.6000 24806.80   569.8000 217.2362 3.394387  219.9840 2.527743  -2.747818      4.232181  
1 1 1 2   6  10 o 442.9107 2.437978  100558.1   1106.482 100095.0  2204.000 101025.0   2222.000 441.5608 4.871052  443.6042 4.888212  -2.043488      6.900852  
1 1 1 2   6  11 o 363.9421 2.027829  67888.52   756.2441 68430.90  1525.600 67355.40   1499.600 365.1842 4.076902  362.3082 4.039233  2.876038       5.739036  
1 1 1 2   6  12 f 108.4188 0.6749393 6022.795   74.98386 5988.900  147.8000 6057.700   152.2000 108.1060 1.334216  108.7247 1.366117  -0.6187134     1.909558  
1 1 1 2   6  13 o 121.6630 0.7458157 7584.285   92.97976 7162.300  174.6000 8065.000   198.9000 118.2190 1.441314  125.4455 1.547325  -7.226433      2.114615  
1 1 1 2   6  14 o 87.63296 0.5745027 3934.812   51.58910 3969.500  101.7000 3899.100   104.7000 88.01242 1.127661  87.22784 1.171368  0.7845840      1.625952  
1 1 1 2   6  15 o 43.55620 0.3693488 972.0272   16.48485 1035.700  34.00000 912.1000   32.00000 44.95857 0.7380198 42.19069 0.7401759 2.767879       1.045243  
1 1 1 2   6  16 o 166.6145 1.003458  14226.03   171.3209 14361.90  351.3000 14096.70   334.4000 167.3532 2.048546  165.8064 1.968188  1.546829       2.840828  
1 1 1 2   6  17 o 68.40412 0.4943962 2397.499   34.65419 2717.700  75.30000 2124.500   64.20000 72.82214 1.009098  64.38649 0.9730651 8.435646       1.401832  
1 1 1 2   6  18 o 76.39157 0.5230924 2990.131   40.94701 3005.300  81.20000 2974.700   82.60000 76.57716 1.034805  76.18583 1.058053  0.3913345      1.479965  
1 1 1 2   6  19 o 33.09949 0.3802868 561.3430   12.89826 556.5000  25.50000 566.3000   26.10000 32.95447 0.7551399 33.24329 0.7661929 -0.2888222     1.075773  
1 1 1 2   6  20 o 27.40273 0.3669079 384.7449   10.30266 350.9000  19.30000 423.5000   22.10000 26.15833 0.7207140 28.73815 0.7511171 -2.579815      1.040964  
1 1 1 2   6  21 o 118.0276 0.8579544 7138.933   103.7639 6928.900  170.5000 7465.500   265.1000 116.2551 1.431244  120.6259 2.144721  -4.370735      2.578428  
1 1 1 2   6  22 o 34.10349 1.002635  0.000000   0.000000 ?         ?        596.6000   35.00000 ?        ?         34.10349 1.002635  0.000000       1.002635  
1 1 1 2   6  23 o 99.39265 0.7654808 5062.521   77.96272 4997.400  133.1000 5154.600   188.2000 98.73135 1.315602  100.2434 1.832169  -1.512062      2.255582  
1 1 1 2   6  24 o 55.86259 0.5093486 1599.031   29.15645 1573.900  50.60000 1633.200   68.80000 55.41580 0.8910838 56.44291 1.189544  -1.027115      1.486286  
1 1 1 2   6  25 o 35.91170 0.4306193 660.8132   15.84630 799.6000  30.40000 509.7000   33.10000 39.49969 0.7510720 31.51622 1.026302  7.983467       1.271772  
1 1 1 2   6  26 o 13.62126 0.6919117 95.33231   9.625897 94.80000  17.30000 96.00000   21.70000 13.53786 1.261613  13.58642 1.588633  -0.4856110E-01 2.028650  
1 1 1 2   6  27 o 64.05882 0.5392192 2102.877   35.39506 2118.100  60.60000 2081.500   85.10000 64.27784 0.9200532 63.70119 1.303718  0.5766449      1.595675  
1 1 1 2   6  28 o 77.75648 0.6139077 3098.740   48.91455 3059.400  83.80000 3153.900   117.5000 77.23616 1.058827  78.38498 1.462873  -1.148819      1.805855  
1 1 1 2   6  29 o 75.20815 0.6179734 2899.231   47.62478 3126.200  84.40000 2605.300   109.3000 78.06480 1.055088  71.22019 1.497679  6.844612       1.832008  
1 1 1 2   6  30 o 44.26159 0.7452318 1004.500   33.80000 1004.500  33.80000 ?          ?        44.26159 0.7452318 ?        ?         0.000000       0.7452318 
1 1 1 2   7  0  o 75.02093 0.7245601 0.000000   0.000000 ?         ?        2883.700   55.70000 ?        ?         75.02093 0.7245601 0.000000       0.7245601 
1 1 1 2   7  1  o 458.0088 3.551922  0.000000   0.000000 ?         ?        107578.0   1667.000 ?        ?         458.0088 3.551922  0.000000       3.551922  
1 1 1 2   7  2  o 292.7336 2.289598  0.000000   0.000000 ?         ?        43922.30   686.8000 ?        ?         292.7336 2.289598  0.000000       2.289598  
1 1 1 2   7  3  o 284.0169 2.244761  0.000000   0.000000 ?         ?        41345.10   653.3000 ?        ?         284.0169 2.244761  0.000000       2.244761  
1 1 1 2   7  4  o 251.5676 2.310864  0.000000   0.000000 ?         ?        32438.30   595.7000 ?        ?         251.5676 2.310864  0.000000       2.310864  
1 1 1 2   7  5  o 674.1208 3.783896  233098.2   2613.818 235222.0  7171.000 231880.0   4113.000 674.6861 10.37241  671.7858 5.974884  2.900269       11.97022  
1 1 1 2   7  6  o 240.2630 1.579144  29582.28   388.7829 30998.40  980.8000 28652.30   644.1000 245.8178 3.893756  236.4115 2.658804  9.406250       4.714931  
1 1 1 2   7  7  o 174.4169 1.149855  15588.17   205.5087 15839.70  497.6000 15411.20   350.1000 175.7708 2.762710  173.4050 1.970299  2.365829       3.393324  
1 1 1 2   7  8  o 56.44775 0.4483842 1632.562   25.93554 1783.000  66.30000 1535.900   42.60000 58.98851 1.096851  54.75021 0.7593210 4.238304       1.334036  
1 1 1 2   7  9  o 50.37749 0.4299733 1300.317   22.19609 1412.900  54.60000 1223.200   37.40000 52.51091 1.014716  48.85991 0.7470000 3.651009       1.260023  
1 1 1 2   7  10 o 59.98355 0.4754539 1843.502   29.22395 1599.500  58.80000 2084.600   58.10000 55.87049 1.027062  63.78346 0.8889343 -7.912971      1.358330  
1 1 1 2   7  11 o 145.7662 0.9953000 10887.74   148.6652 11127.40  357.1000 10716.80   254.7000 147.3181 2.365567  144.5992 1.718956  2.718994       2.924161  
1 1 1 2   7  12 o 346.4435 2.245758  61540.18   797.2484 60537.30  1883.100 62276.50   1382.600 343.0065 5.357629  348.2521 3.874400  -5.245575      6.611745  
1 1 1 2   7  13 o 84.55142 0.7034189 3663.088   60.94433 3664.500  127.8000 3661.800   116.5000 84.55545 1.474996  84.52697 1.345031  0.2848053E-01  1.996177  
1 1 1 2   7  14 o 121.3257 0.7455256 7542.639   92.68593 8301.300  203.8000 6909.800   170.0000 127.2567 1.562878  116.1070 1.428869  11.14979       2.117605  
1 1 1 2   7  15 o 152.0616 0.9193935 11849.34   143.2581 11719.20  281.7000 11984.00   291.5000 151.1803 1.818416  152.8759 1.860806  -1.695618      2.601776  
1 1 1 2   7  16 o 128.6727 0.7879837 8484.211   103.8967 8235.700  199.0000 8755.700   217.4000 126.7455 1.532223  130.6807 1.623490  -3.935173      2.232359  
1 1 1 2   7  17 o 225.9153 1.316600  26161.69   304.7879 26147.30  601.0000 26176.50   618.4000 225.6981 2.598653  225.8120 2.672539  -0.1139374     3.727662  
1 1 1 2   7  18 o 45.30060 0.3761168 1051.464   17.45923 1099.000  36.00000 1006.700   33.90000 46.31038 0.7586226 44.32316 0.7463984 1.987221       1.064246  
1 1 1 2   7  19 o 92.13861 0.5970372 4350.093   56.36914 4385.400  113.9000 4315.500   111.6000 92.49654 1.201711  91.75690 1.186935  0.7396393      1.689060  
1 1 1 2   7  20 o 109.5193 0.6984987 6146.355   78.38894 5654.000  145.1000 6724.900   170.5000 105.0189 1.348347  114.5281 1.452827  -9.509232      1.982106  
1 1 1 2   7  21 f 89.93091 0.5932441 4144.178   54.66895 4043.300  108.2000 4247.200   110.5000 88.81354 1.188912  91.02555 1.184679  -2.212013      1.678385  
1 1 1 2   7  22 o 114.6923 0.7192630 6740.949   84.53183 7244.200  178.1000 6286.300   160.9000 118.8603 1.462274  110.7260 1.418104  8.134323       2.036974  
1 1 1 2   7  23 o 34.58457 0.3829480 612.8591   13.57127 640.1000  26.70000 584.7000   27.60000 35.34180 0.7372660 33.77712 0.7974218 1.564678       1.086021  
1 1 1 2   7  24 f 180.0984 1.068808  16627.81   197.2459 16526.70  396.3000 16728.00   392.7000 179.3938 2.155848  180.4893 2.123299  -1.095490      3.025901  
1 1 1 2   7  25 o 51.06922 0.4691656 1336.423   24.55182 1333.700  41.80000 1340.300   59.50000 51.01078 0.7996795 51.12690 1.135714  -0.1161270     1.389005  
1 1 1 2   7  26 o 54.92276 0.4730400 1545.764   26.62249 1488.000  44.90000 1629.900   65.40000 53.87831 0.8132687 56.37624 1.132096  -2.497932      1.393932  
1 1 1 2   7  27 o 141.6164 0.9864481 10284.33   143.1483 10249.30  242.5000 10334.80   349.4000 141.2586 1.675322  141.6568 2.407062  -0.3981171     2.932687  
1 1 1 2   7  28 f 30.22250 0.4243275 468.0778   13.14105 425.0000  21.50000 535.8000   33.80000 28.78325 0.7295421 32.30301 1.022404  -3.519754      1.256002  
1 1 1 2   7  29 o 94.12233 1.141554  4547.100   110.1000 4547.100  110.1000 ?          ?        94.12233 1.141554  ?        ?         0.000000       1.141554  
1 1 1 2   7  30 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 2   8  0  o 192.9957 1.576631  0.000000   0.000000 ?         ?        19088.00   311.8000 ?        ?         192.9957 1.576631  0.000000       1.576631  
1 1 1 2   8  1  o 303.1366 2.398067  0.000000   0.000000 ?         ?        47105.50   744.9000 ?        ?         303.1366 2.398067  0.000000       2.398067  
1 1 1 2   8  2  o 161.2631 1.332551  0.000000   0.000000 ?         ?        13326.30   220.2000 ?        ?         161.2631 1.332551  0.000000       1.332551  
1 1 1 2   8  3  o 86.20422 0.7913166 0.000000   0.000000 ?         ?        3807.600   69.90000 ?        ?         86.20422 0.7913166 0.000000       0.7913166 
1 1 1 2   8  4  o 188.9064 1.531721  0.000000   0.000000 ?         ?        18287.80   296.5000 ?        ?         188.9064 1.531721  0.000000       1.531721  
1 1 1 2   8  5  o 135.8910 1.333591  0.000000   0.000000 ?         ?        9463.000   185.7000 ?        ?         135.8910 1.333591  0.000000       1.333591  
1 1 1 2   8  6  o 135.6568 0.8094155 9429.379   112.5153 9325.500  297.1000 9492.700   181.1000 134.8780 2.149627  136.1038 1.298523  -1.225784      2.511386  
1 1 1 2   8  7  o 69.27534 0.5250450 2458.897   37.27122 2559.000  91.90000 2390.600   62.70000 70.66567 1.269137  68.30431 0.8958206 2.361359       1.553449  
1 1 1 2   8  8  o 78.87345 0.5825708 3187.499   47.08450 3113.000  108.3000 3244.800   83.30000 77.93839 1.356059  79.57546 1.021569  -1.637077      1.697792  
1 1 1 2   8  9  o 41.55040 0.3613862 884.5601   15.38669 874.9000  36.50000 891.6000   26.60000 41.32099 0.8620328 41.71461 0.6222932 -0.3936195     1.063179  
1 1 1 2   8  10 o 55.80468 0.4544067 1595.603   25.98447 1661.200  65.90000 1552.900   42.90000 56.93508 1.129554  55.05114 0.7604884 1.883938       1.361703  
1 1 1 2   8  11 o 120.1834 0.8525867 7401.472   104.9981 6798.500  232.3000 7898.800   191.6000 115.1490 1.968751  124.1370 1.506246  -8.988068      2.478862  
1 1 1 2   8  12 o 120.6281 0.8371245 7456.451   103.4753 7639.000  250.3000 7327.800   176.4000 122.0512 2.001338  119.5648 1.439783  2.486435       2.465426  
1 1 1 2   8  13 o 242.5999 1.605045  30173.65   399.0031 30249.40  946.1000 30118.40   690.0000 242.5453 3.806674  242.2226 2.779943  0.3226929      4.713688  
1 1 1 2   8  14 o 94.58856 0.6744906 4584.574   65.37518 4723.900  154.0000 4481.800   113.6000 95.98917 1.565670  93.51031 1.185552  2.478851       1.963887  
1 1 1 2   8  15 o 91.28594 0.6540559 4270.005   61.18108 3969.500  133.0000 4526.000   113.3000 87.99355 1.475035  93.96984 1.176638  -5.976295      1.886851  
1 1 1 2   8  16 o 39.44738 0.4073924 797.3078   16.46756 821.7000  37.60000 778.3000   29.30000 40.04224 0.9163705 38.97218 0.7336933 1.070065       1.173900  
1 1 1 2   8  17 o 71.42107 0.5491621 2613.734   40.19068 2328.900  82.80000 2882.400   78.10000 67.40547 1.198773  74.99355 1.016316  -7.588074      1.571609  
1 1 1 2   8  18 o 156.1690 0.9309146 12499.12   148.9715 12577.20  299.4000 12421.80   296.5000 156.5900 1.865904  155.6202 1.859346  0.9697876      2.634154  
1 1 1 2   8  19 o 47.57825 0.3867164 1159.865   18.85382 1286.700  40.60000 1049.900   35.20000 50.10811 0.7907143 45.26339 0.7589222 4.844727       1.095989  
1 1 1 2   8  20 o 55.48318 0.4312936 1577.323   24.52069 1575.300  48.40000 1579.400   49.70000 55.44213 0.8519362 55.51385 0.8736885 -0.7172012E-01 1.220298  
1 1 1 2   8  21 o 65.08152 0.4674661 2170.314   31.17498 2187.600  62.30000 2153.000   62.40000 65.33152 0.9306082 64.81258 0.9395651 0.5189362      1.322427  
1 1 1 2   8  22 o 64.77977 0.4593258 2150.259   30.49008 2107.200  59.90000 2194.900   62.10000 64.11839 0.9116872 65.43865 0.9261022 -1.320267      1.299553  
1 1 1 2   8  23 o 130.2865 0.8058618 8699.989   107.5866 8973.000  217.6000 8433.000   212.8000 132.2463 1.605747  128.2036 1.619843  4.042648       2.280858  
1 1 1 2   8  24 o 74.88845 0.5052775 2873.887   38.77423 2874.400  79.60000 2873.400   75.60000 74.87527 1.037472  74.86478 0.9854756 0.1048279E-01  1.430912  
1 1 1 2   8  25 o 71.39161 0.5043316 2611.853   36.89451 2744.400  74.70000 2482.500   72.90000 73.15968 0.9964383 69.57992 1.022457  3.579765       1.427693  
1 1 1 2   8  26 o 60.52082 0.4478075 1876.996   27.77120 1897.800  54.90000 1855.700   56.20000 60.83815 0.8806390 60.15792 0.9116856 0.6802292      1.267555  
1 1 1 2   8  27 o 14.17073 0.9840202 103.5000   14.20000 103.5000  14.20000 ?          ?        14.17073 0.9840202 ?        ?         0.000000       0.9840202 
1 1 1 2   8  28 f 57.23695 0.8115814 1680.100   47.60000 1680.100  47.60000 ?          ?        57.23695 0.8115814 ?        ?         0.000000       0.8115814 
1 1 1 2   9  0  o 242.5182 1.935541  0.000000   0.000000 ?         ?        30149.30   481.0000 ?        ?         242.5182 1.935541  0.000000       1.935541  
1 1 1 2   9  1  o 192.4142 1.584439  0.000000   0.000000 ?         ?        18975.50   312.4000 ?        ?         192.4142 1.584439  0.000000       1.584439  
1 1 1 2   9  2  o 193.1026 1.560597  0.000000   0.000000 ?         ?        19111.50   308.8000 ?        ?         193.1026 1.560597  0.000000       1.560597  
1 1 1 2   9  3  o 175.2802 1.439784  0.000000   0.000000 ?         ?        15745.90   258.6000 ?        ?         175.2802 1.439784  0.000000       1.439784  
1 1 1 2   9  4  o 127.8328 1.602403  0.000000   0.000000 ?         ?        8375.800   209.9000 ?        ?         127.8328 1.602403  0.000000       1.602403  
1 1 1 2   9  5  o 132.9364 1.117307  0.000000   0.000000 ?         ?        9056.200   152.2000 ?        ?         132.9364 1.117307  0.000000       1.117307  
1 1 1 2   9  6  o 48.17598 0.5732677 0.000000   0.000000 ?         ?        1189.200   28.30000 ?        ?         48.17598 0.5732677 0.000000       0.5732677 
1 1 1 2   9  7  o 89.12958 0.5883662 4070.438   53.73632 3885.700  147.6000 4176.200   84.50000 87.06334 1.654446  90.27581 0.9134545 -3.212471      1.889866  
1 1 1 2   9  8  o 219.1281 1.297535  24610.49   291.3504 23202.20  747.6000 25509.80   477.4000 212.5376 3.432694  223.0322 2.088894  -10.49455      4.018317  
1 1 1 2   9  9  o 48.60565 0.4175932 1210.486   20.79882 1112.900  47.50000 1286.500   37.00000 46.60080 0.9947224 50.10651 0.7206247 -3.505718      1.228321  
1 1 1 2   9  10 o 91.99870 0.6642851 4336.916   62.62310 4444.100  154.3000 4263.700   105.4000 93.10261 1.617356  91.20911 1.127727  1.893494       1.971702  
1 1 1 2   9  11 o 156.2083 1.065752  12505.84   170.5919 12870.60  413.9000 12250.10   290.2000 158.3526 2.550773  154.5554 1.832377  3.797150       3.140708  
1 1 1 2   9  12 o 28.66449 0.3761483 420.9925   11.04846 516.3000  26.40000 352.4000   19.00000 31.73099 0.8126049 26.21467 0.7079597 5.516319       1.077745  
1 1 1 2   9  13 o 204.9487 1.347700  21532.42   283.0327 21363.50  669.9000 21656.00   490.1000 203.8873 3.206429  205.4261 2.328255  -1.538879      3.962569  
1 1 1 2   9  14 o 53.40650 0.4337486 1461.444   23.73726 1238.600  48.60000 1674.200   46.40000 49.16074 0.9647605 57.15800 0.7922142 -7.997261      1.248345  
1 1 1 2   9  15 o 37.69061 0.3813504 727.8719   14.72841 762.2000  34.50000 702.3000   25.70000 38.56535 0.8730186 37.02075 0.6774693 1.544598       1.105046  
1 1 1 2   9  16 o 30.27883 0.3709678 469.7498   11.50996 576.0000  27.30000 392.3000   19.90000 33.52596 0.7946633 27.65980 0.7026797 5.866154       1.060777  
1 1 1 2   9  17 o 61.81274 0.4880366 1957.766   30.91212 1969.100  72.30000 1949.300   54.00000 61.97987 1.138385  61.67361 0.8544684 0.3062630      1.423389  
1 1 1 2   9  18 o 110.2796 0.7728524 6232.408   87.33537 6641.200  220.3000 5963.900   144.7000 113.7757 1.889587  107.8554 1.309267  5.920273       2.298852  
1 1 1 2   9  19 o 208.8005 1.394039  22355.20   298.2667 22541.10  704.8000 22218.80   517.1000 209.2862 3.286449  207.9940 2.426193  1.292175       4.084991  
1 1 1 2   9  20 o 41.15480 0.3953659 867.8429   16.67316 744.6000  33.00000 993.7000   33.70000 38.11576 0.8449110 44.03385 0.7468697 -5.918087      1.127692  
1 1 1 2   9  21 o 89.57220 0.6312872 4111.559   57.94268 3980.600  131.8000 4214.300   103.4000 88.09379 1.460064  90.66429 1.112976  -2.570503      1.835893  
1 1 1 2   9  22 o 53.16521 0.8920934 1448.900   48.60000 1448.900  48.60000 ?          ?        53.16521 0.8920934 ?        ?         0.000000       0.8920934 
1 1 1 2   9  23 o 70.07274 0.5051980 2516.214   36.27514 2527.900  70.70000 2503.900   74.50000 70.21703 0.9826040 69.87994 1.040412  0.3370895      1.431072  
1 1 1 2   9  24 o 58.98339 0.5130038 1782.908   31.00621 1771.200  52.00000 1800.200   76.80000 58.77689 0.8633728 59.23375 1.265300  -0.4568558     1.531796  
1 1 1 2   9  25 o 7.277147 1.258558  27.95754   9.045477 24.50000  13.90000 34.40000   25.90000 6.809507 1.913297  8.285820 2.677249  -1.476313      3.290648  
1 1 1 2   9  26 o 58.13961 0.8392657 1733.500   50.00000 1733.500  50.00000 ?          ?        58.13961 0.8392657 ?        ?         0.000000       0.8392657 
1 1 1 2   9  27 f 51.82504 0.7776999 1377.400   41.30000 1377.400  41.30000 ?          ?        51.82504 0.7776999 ?        ?         0.000000       0.7776999 
1 1 1 2   10 0  o 107.4705 0.9389291 0.000000   0.000000 ?         ?        5918.800   103.4000 ?        ?         107.4705 0.9389291 0.000000       0.9389291 
1 1 1 2   10 1  o 150.7230 1.250271  0.000000   0.000000 ?         ?        11643.50   193.1000 ?        ?         150.7230 1.250271  0.000000       1.250271  
1 1 1 2   10 2  o 43.98285 0.5058865 0.000000   0.000000 ?         ?        991.2000   22.80000 ?        ?         43.98285 0.5058865 0.000000       0.5058865 
1 1 1 2   10 3  o 163.4754 1.341979  0.000000   0.000000 ?         ?        13698.20   224.8000 ?        ?         163.4754 1.341979  0.000000       1.341979  
1 1 1 2   10 4  o 218.6617 1.744148  0.000000   0.000000 ?         ?        24516.00   390.8000 ?        ?         218.6617 1.744148  0.000000       1.744148  
1 1 1 2   10 5  o 132.8219 1.130026  0.000000   0.000000 ?         ?        9041.800   153.8000 ?        ?         132.8219 1.130026  0.000000       1.130026  
1 1 1 2   10 6  o 105.0840 0.9370363 0.000000   0.000000 ?         ?        5659.100   100.9000 ?        ?         105.0840 0.9370363 0.000000       0.9370363 
1 1 1 2   10 7  o 159.5449 1.528569  0.000000   0.000000 ?         ?        13050.50   249.9000 ?        ?         159.5449 1.528569  0.000000       1.528569  
1 1 1 2   10 8  o 128.5939 1.272666  0.000000   0.000000 ?         ?        8476.500   167.7000 ?        ?         128.5939 1.272666  0.000000       1.272666  
1 1 1 2   10 9  o 33.06770 0.3274553 560.2610   11.09569 721.7000  31.60000 472.9000   17.10000 37.52751 0.8217486 30.37950 0.5493096 7.148012       0.9884390 
1 1 1 2   10 10 o 130.8096 0.8013995 8768.696   107.4205 9153.300  297.9000 8551.800   168.0000 133.5620 2.176654  129.1621 1.269334  4.399872       2.519728  
1 1 1 2   10 11 o 99.25121 0.7203535 5047.928   73.26219 4494.500  160.2000 5514.300   135.0000 93.61820 1.669951  103.7164 1.270246  -10.09821      2.098157  
1 1 1 2   10 12 o 62.62440 1.129786  2010.200   72.50000 2010.200  72.50000 ?          ?        62.62440 1.129786  ?        ?         0.000000       1.129786  
1 1 1 2   10 13 o 139.2842 0.9477074 9942.737   135.2616 9455.000  307.8000 10325.10   241.3000 135.7319 2.213035  141.8919 1.659592  -6.160065      2.766183  
1 1 1 2   10 14 f 113.5421 0.7790894 6606.575   90.64475 6477.800  211.2000 6703.400   158.8000 112.3749 1.834113  114.3461 1.355286  -1.971153      2.280520  
1 1 1 2   10 15 o 105.3789 0.7350255 5690.668   79.36961 5871.900  191.6000 5562.500   135.5000 106.9934 1.747593  104.1645 1.269466  2.828865       2.160006  
1 1 1 2   10 16 o 104.6033 0.7470787 5607.315   80.07742 5496.200  183.8000 5693.100   141.9000 103.5117 1.732836  105.3761 1.314141  -1.864349      2.174784  
1 1 1 2   10 17 o 77.74255 0.5945141 3097.083   47.36083 3147.000  109.6000 3059.100   83.40000 78.34074 1.365289  77.25160 1.053562  1.089134       1.724531  
1 1 1 2   10 18 o 14.99975 0.5155038 115.4265   7.911672 104.6000  16.50000 125.4000   15.20000 14.23827 1.140439  15.61198 0.9547045 -1.373711      1.487300  
1 1 1 2   10 19 f 53.00423 0.4541524 1439.589   24.66667 1425.200  55.50000 1451.100   44.40000 52.72640 1.027227  53.20906 0.8143274 -0.4826546     1.310849  
1 1 1 2   10 20 o 63.09814 0.4929413 2040.180   31.87206 2066.200  73.80000 2020.400   56.10000 63.47823 1.134575  62.78122 0.8720366 0.6970024      1.430982  
1 1 1 2   10 21 o 68.23427 0.5250915 2385.951   36.71436 2134.900  74.70000 2628.600   72.20000 64.52099 1.129851  71.60175 0.9840456 -7.080757      1.498302  
1 1 1 2   10 22 o 39.59309 0.4690793 803.3236   19.03110 859.4000  36.90000 743.6000   39.30000 40.94178 0.8795514 38.06631 1.008407  2.875473       1.338094  
1 1 1 2   10 23 o 21.22489 0.5526223 231.0448   12.00888 331.3000  26.30000 146.8000   22.10000 25.39468 1.012713  16.86296 1.288733  8.531723       1.639030  
1 1 1 2   10 24 o 83.76281 1.394583  3603.800   119.7000 3603.800  119.7000 ?          ?        83.76281 1.394583  ?        ?         0.000000       1.394583  
1 1 1 2   10 25 o 65.86305 0.9319882 2225.500   62.90000 2225.500  62.90000 ?          ?        65.86305 0.9319882 ?        ?         0.000000       0.9319882 
1 1 1 2   10 26 o 41.14223 0.8420583 868.3000   35.50000 868.3000  35.50000 ?          ?        41.14223 0.8420583 ?        ?         0.000000       0.8420583 
1 1 1 2   11 0  o 120.1144 1.051334  0.000000   0.000000 ?         ?        7394.500   129.4000 ?        ?         120.1144 1.051334  0.000000       1.051334  
1 1 1 2   11 1  o 167.0668 1.382058  0.000000   0.000000 ?         ?        14309.00   236.6000 ?        ?         167.0668 1.382058  0.000000       1.382058  
1 1 1 2   11 2  o 285.6207 2.262224  0.000000   0.000000 ?         ?        41864.90   662.1000 ?        ?         285.6207 2.262224  0.000000       2.262224  
1 1 1 2   11 3  o 61.84351 0.6312008 0.000000   0.000000 ?         ?        1959.800   40.00000 ?        ?         61.84351 0.6312008 0.000000       0.6312008 
1 1 1 2   11 4  o 140.2808 1.156899  0.000000   0.000000 ?         ?        10086.80   166.3000 ?        ?         140.2808 1.156899  0.000000       1.156899  
1 1 1 2   11 5  o 40.83218 0.5066813 0.000000   0.000000 ?         ?        854.3000   21.20000 ?        ?         40.83218 0.5066813 0.000000       0.5066813 
1 1 1 2   11 6  o 13.56209 0.8169046 0.000000   0.000000 ?         ?        94.60000   11.30000 ?        ?         13.56209 0.8169046 0.000000       0.8169046 
1 1 1 2   11 7  o 126.2054 1.064001  0.000000   0.000000 ?         ?        8163.800   137.6000 ?        ?         126.2054 1.064001  0.000000       1.064001  
1 1 1 2   11 8  o 126.0757 1.066644  0.000000   0.000000 ?         ?        8147.100   137.8000 ?        ?         126.0757 1.066644  0.000000       1.066644  
1 1 1 2   11 9  o 36.78623 0.5385330 0.000000   0.000000 ?         ?        693.4000   20.30000 ?        ?         36.78623 0.5385330 0.000000       0.5385330 
1 1 1 2   11 10 o 97.10761 1.002949  0.000000   0.000000 ?         ?        4833.200   99.80000 ?        ?         97.10761 1.002949  0.000000       1.002949  
1 1 1 2   11 11 o 212.7484 1.243702  23203.55   271.1322 22760.70  714.6000 23474.30   436.9000 210.3340 3.315546  213.8882 1.993411  -3.554108      3.868661  
1 1 1 2   11 12 o 62.89225 0.4561887 2026.741   29.39951 1891.800  72.40000 2119.000   49.50000 60.74883 1.163060  64.30328 0.7512314 -3.554447      1.384579  
1 1 1 2   11 13 o 104.4066 0.7245269 5586.222   77.51415 5529.600  180.6000 5628.800   135.8000 103.8259 1.697515  104.7806 1.264796  -0.9547348     2.116900  
1 1 1 2   11 14 o 98.37548 0.7007893 4959.493   70.64359 5499.600  182.9000 4619.600   115.1000 103.5366 1.723938  94.92540 1.183299  8.611153       2.090971  
1 1 1 2   11 15 o 122.8824 0.8589291 7739.372   108.1547 8084.100  263.2000 7498.900   183.6000 125.4827 2.046934  120.9149 1.481817  4.567780       2.526998  
1 1 1 2   11 16 o 40.54647 0.4056036 842.3904   16.85207 733.8000  35.60000 940.0000   32.00000 37.83596 0.9182202 42.82691 0.7291802 -4.990944      1.172532  
1 1 1 2   11 17 o 68.71943 0.5312130 2419.919   37.40646 2564.300  88.30000 2313.800   64.90000 70.71429 1.218583  67.18358 0.9427210 3.530708       1.540671  
1 1 1 2   11 18 o 34.67878 0.3534212 616.2170   12.55899 773.0000  30.20000 504.6000   21.50000 38.83462 0.7589087 31.37779 0.6686792 7.456831       1.011471  
1 1 1 2   11 19 o 50.36255 0.4849832 1299.764   25.02838 1283.900  40.70000 1325.100   65.00000 50.04646 0.7936385 50.82448 1.248079  -0.7780190     1.479041  
1 1 1 2   11 20 o 15.49874 0.5927733 123.2925   9.396845 87.50000  14.50000 189.2000   26.70000 13.01504 1.097453  19.15131 1.369590  -6.136276      1.755045  
1 1 1 2   11 21 o 58.08362 0.5586043 1729.132   33.24730 1815.000  67.10000 1644.800   65.90000 59.47823 1.100946  56.61835 1.135873  2.859879       1.581863  
1 1 1 2   11 22 o 11.90741 1.187811  73.50000   14.30000 73.50000  14.30000 ?          ?        11.90741 1.187811  ?        ?         0.000000       1.187811  
1 1 1 2   11 23 o 44.60162 0.9299078 1020.600   42.50000 1020.600  42.50000 ?          ?        44.60162 0.9299078 ?        ?         0.000000       0.9299078 
1 1 1 2   11 24 o 25.02728 0.7964737 321.6000   20.40000 321.6000  20.40000 ?          ?        25.02728 0.7964737 ?        ?         0.000000       0.7964737 
1 1 1 2   12 0  o 96.05994 0.8462610 0.000000   0.000000 ?         ?        4729.000   83.30000 ?        ?         96.05994 0.8462610 0.000000       0.8462610 
1 1 1 2   12 1  o 81.28180 0.7575960 0.000000   0.000000 ?         ?        3385.700   63.10000 ?        ?         81.28180 0.7575960 0.000000       0.7575960 
1 1 1 2   12 2  o 21.91987 0.5164421 0.000000   0.000000 ?         ?        246.2000   11.60000 ?        ?         21.91987 0.5164421 0.000000       0.5164421 
1 1 1 2   12 3  o 49.91940 0.5493367 0.000000   0.000000 ?         ?        1276.900   28.10000 ?        ?         49.91940 0.5493367 0.000000       0.5493367 
1 1 1 2   12 4  o 54.96147 0.5877210 0.000000   0.000000 ?         ?        1547.900   33.10000 ?        ?         54.96147 0.5877210 0.000000       0.5877210 
1 1 1 2   12 5  o 18.01524 0.6130181 0.000000   0.000000 ?         ?        166.5000   11.30000 ?        ?         18.01524 0.6130181 0.000000       0.6130181 
1 1 1 2   12 6  o 92.02386 0.8324743 0.000000   0.000000 ?         ?        4340.000   78.50000 ?        ?         92.02386 0.8324743 0.000000       0.8324743 
1 1 1 2   12 7  o 98.38003 0.8699500 0.000000   0.000000 ?         ?        4960.400   87.70000 ?        ?         98.38003 0.8699500 0.000000       0.8699500 
1 1 1 2   12 8  o 56.78954 0.5859865 0.000000   0.000000 ?         ?        1652.600   34.10000 ?        ?         56.78954 0.5859865 0.000000       0.5859865 
1 1 1 2   12 9  o 81.33286 1.033091  0.000000   0.000000 ?         ?        3390.800   86.10000 ?        ?         81.33286 1.033091  0.000000       1.033091  
1 1 1 2   12 10 o 50.06720 0.5418674 0.000000   0.000000 ?         ?        1284.500   27.80000 ?        ?         50.06720 0.5418674 0.000000       0.5418674 
1 1 1 2   12 11 o 72.94109 0.8067643 0.000000   0.000000 ?         ?        2726.800   60.30000 ?        ?         72.94109 0.8067643 0.000000       0.8067643 
1 1 1 2   12 12 o 149.6113 1.428504  0.000000   0.000000 ?         ?        11480.90   219.0000 ?        ?         149.6113 1.428504  0.000000       1.428504  
1 1 1 2   12 13 o 29.78602 0.3681956 454.5982   11.23801 462.5000  27.10000 449.0000   19.20000 30.02523 0.8817700 29.59977 0.6330159 0.4254646      1.085462  
1 1 1 2   12 14 o 76.88803 0.5232424 3029.431   41.22495 2997.800  108.2000 3048.900   66.60000 76.44611 1.381254  77.12407 0.8427250 -0.6779556     1.618038  
1 1 1 2   12 15 o 87.76682 0.6583202 3947.875   59.20602 4168.500  139.8000 3785.800   102.7000 90.12612 1.513764  85.91792 1.166510  4.208199       1.911080  
1 1 1 2   12 16 o 62.56046 0.6070719 2005.839   38.91692 1987.000  74.40000 2026.500   81.60000 62.24137 1.166529  62.85086 1.267012  -0.6094856     1.722239  
1 1 1 2   12 17 o 56.77737 0.5577849 1652.121   32.45192 1683.900  62.50000 1617.800   67.50000 57.29942 1.064465  56.15734 1.173002  1.142071       1.583989  
1 1 1 2   12 18 o 21.28455 0.7458695 232.5332   16.24254 630.2000  52.10000 52.40000   23.60000 35.00222 1.455770  9.887384 2.361825  25.11484       2.774434  
1 1 1 2   12 19 o 14.98118 0.7353866 115.3452   11.25462 148.0000  19.10000 68.50000   27.40000 16.94705 1.105910  11.30669 2.436823  5.640368       2.676031  
1 1 1 2   12 20 o 30.15263 0.8585480 466.7000   26.50000 466.7000  26.50000 ?          ?        30.15263 0.8585480 ?        ?         0.000000       0.8585480 
1 1 1 2   12 21 o 92.19430 1.529556  4371.900   144.5000 4371.900  144.5000 ?          ?        92.19430 1.529556  ?        ?         0.000000       1.529556  
1 1 1 2   12 22 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 2   13 0  o 47.56984 0.6092933 0.000000   0.000000 ?         ?        1159.600   29.70000 ?        ?         47.56984 0.6092933 0.000000       0.6092933 
1 1 1 2   13 1  o 45.72364 0.5421189 0.000000   0.000000 ?         ?        1071.300   25.40000 ?        ?         45.72364 0.5421189 0.000000       0.5421189 
1 1 1 2   13 2  o 102.1411 0.8866440 0.000000   0.000000 ?         ?        5347.300   92.80000 ?        ?         102.1411 0.8866440 0.000000       0.8866440 
1 1 1 2   13 3  o 96.64702 0.8491983 0.000000   0.000000 ?         ?        4787.400   84.10000 ?        ?         96.64702 0.8491983 0.000000       0.8491983 
1 1 1 2   13 4  o 21.53864 0.5804829 0.000000   0.000000 ?         ?        237.9000   12.80000 ?        ?         21.53864 0.5804829 0.000000       0.5804829 
1 1 1 2   13 5  o 67.59654 0.6467779 0.000000   0.000000 ?         ?        2341.600   44.80000 ?        ?         67.59654 0.6467779 0.000000       0.6467779 
1 1 1 2   13 6  o 108.0828 0.9164546 0.000000   0.000000 ?         ?        5988.000   101.5000 ?        ?         108.0828 0.9164546 0.000000       0.9164546 
1 1 1 2   13 7  o 103.9503 0.8815389 0.000000   0.000000 ?         ?        5538.800   93.90000 ?        ?         103.9503 0.8815389 0.000000       0.8815389 
1 1 1 2   13 8  f 61.75720 0.5925777 0.000000   0.000000 ?         ?        1954.500   37.50000 ?        ?         61.75720 0.5925777 0.000000       0.5925777 
1 1 1 2   13 9  o 149.8620 1.227500  0.000000   0.000000 ?         ?        11517.70   188.5000 ?        ?         149.8620 1.227500  0.000000       1.227500  
1 1 1 2   13 10 o 18.61945 0.8671880 0.000000   0.000000 ?         ?        178.1000   16.50000 ?        ?         18.61945 0.8671880 0.000000       0.8671880 
1 1 1 2   13 11 o 57.50032 0.8044697 0.000000   0.000000 ?         ?        1694.800   47.40000 ?        ?         57.50032 0.8044697 0.000000       0.8044697 
1 1 1 2   13 12 f 3.223984 1.551504  0.000000   0.000000 ?         ?        -23.00000  15.10000 ?        ?         3.223984 1.551504  0.000000       1.551504  
1 1 1 2   13 13 o 90.26792 1.124350  0.000000   0.000000 ?         ?        4179.500   104.0000 ?        ?         90.26792 1.124350  0.000000       1.124350  
1 1 1 2   13 14 o 67.15430 1.008527  0.000000   0.000000 ?         ?        2312.900   69.40000 ?        ?         67.15430 1.008527  0.000000       1.008527  
1 1 1 2   13 15 o 64.18360 0.9229246 0.000000   0.000000 ?         ?        2112.700   60.70000 ?        ?         64.18360 0.9229246 0.000000       0.9229246 
1 1 1 2   13 16 o 14.04213 0.8274379 101.4675   11.85325 110.0000  22.00000 91.50000   25.70000 14.55502 1.496357  13.18897 1.961216  1.366050       2.466871  
1 1 1 2   13 17 o 39.06635 0.3783270 782.1085   15.14498 759.6000  31.70000 802.7000   29.00000 38.48564 0.8038262 39.56640 0.7152751 -1.080757      1.075990  
1 1 1 2   13 18 o 10.38554 0.7643130 55.61538   8.076923 73.60000  12.60000 23.50000   22.50000 11.92940 1.041173  7.143560 2.496520  4.785839       2.704932  
1 1 1 2   13 19 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 2   14 0  o 61.52200 0.5821531 0.000000   0.000000 ?         ?        1939.700   36.70000 ?        ?         61.52200 0.5821531 0.000000       0.5821531 
1 1 1 2   14 1  o 60.56913 0.5913116 0.000000   0.000000 ?         ?        1880.100   36.70000 ?        ?         60.56913 0.5913116 0.000000       0.5913116 
1 1 1 2   14 2  o 86.54919 0.7498255 0.000000   0.000000 ?         ?        3839.500   66.50000 ?        ?         86.54919 0.7498255 0.000000       0.7498255 
1 1 1 2   14 3  o 44.09075 0.5024351 0.000000   0.000000 ?         ?        996.2000   22.70000 ?        ?         44.09075 0.5024351 0.000000       0.5024351 
1 1 1 2   14 4  o 61.95375 0.6001489 0.000000   0.000000 ?         ?        1967.100   38.10000 ?        ?         61.95375 0.6001489 0.000000       0.6001489 
1 1 1 2   14 5  o 43.90034 0.5846413 0.000000   0.000000 ?         ?        987.7000   26.30000 ?        ?         43.90034 0.5846413 0.000000       0.5846413 
1 1 1 2   14 6  o 55.89440 0.6739390 0.000000   0.000000 ?         ?        1601.300   38.60000 ?        ?         55.89440 0.6739390 0.000000       0.6739390 
1 1 1 2   14 7  o 35.36014 0.7065252 0.000000   0.000000 ?         ?        640.9000   25.60000 ?        ?         35.36014 0.7065252 0.000000       0.7065252 
1 1 1 2   14 8  o 26.27201 0.7399358 0.000000   0.000000 ?         ?        354.1000   19.90000 ?        ?         26.27201 0.7399358 0.000000       0.7399358 
1 1 1 2   14 9  o 29.18139 0.6755337 0.000000   0.000000 ?         ?        436.5000   20.20000 ?        ?         29.18139 0.6755337 0.000000       0.6755337 
1 1 1 2   14 10 o 54.73571 0.8344046 0.000000   0.000000 ?         ?        1536.200   46.80000 ?        ?         54.73571 0.8344046 0.000000       0.8344046 
1 1 1 2   14 11 o 78.86319 1.074106  0.000000   0.000000 ?         ?        3191.100   86.80000 ?        ?         78.86319 1.074106  0.000000       1.074106  
1 1 1 2   14 12 o 32.22557 0.7631354 0.000000   0.000000 ?         ?        532.5000   25.20000 ?        ?         32.22557 0.7631354 0.000000       0.7631354 
1 1 1 2   14 13 o 6.636490 2.136225  0.000000   0.000000 ?         ?        22.10000   16.50000 ?        ?         6.636490 2.136225  0.000000       2.136225  
1 1 1 2   14 14 o 95.37324 1.207417  0.000000   0.000000 ?         ?        4671.900   118.0000 ?        ?         95.37324 1.207417  0.000000       1.207417  
1 1 1 2   14 15 o 51.23763 0.8075668 0.000000   0.000000 ?         ?        1346.700   42.40000 ?        ?         51.23763 0.8075668 0.000000       0.8075668 
1 1 1 2   14 16 o 27.05009 1.197121  0.000000   0.000000 ?         ?        376.7000   33.10000 ?        ?         27.05009 1.197121  0.000000       1.197121  
1 1 1 2   15 0  o 69.83959 0.7601491 0.000000   0.000000 ?         ?        2500.800   54.40000 ?        ?         69.83959 0.7601491 0.000000       0.7601491 
1 1 1 2   15 1  o 35.65933 0.7033339 0.000000   0.000000 ?         ?        651.9000   25.70000 ?        ?         35.65933 0.7033339 0.000000       0.7033339 
1 1 1 2   15 2  o 53.56463 0.8271406 0.000000   0.000000 ?         ?        1471.300   45.40000 ?        ?         53.56463 0.8271406 0.000000       0.8271406 
1 1 1 2   15 3  o 37.21135 0.6976022 0.000000   0.000000 ?         ?        709.9000   26.60000 ?        ?         37.21135 0.6976022 0.000000       0.6976022 
1 1 1 2   15 4  o 71.74596 0.9371809 0.000000   0.000000 ?         ?        2640.500   68.90000 ?        ?         71.74596 0.9371809 0.000000       0.9371809 
1 1 1 2   15 5  o 69.12298 0.9233299 0.000000   0.000000 ?         ?        2451.000   65.40000 ?        ?         69.12298 0.9233299 0.000000       0.9233299 
1 1 1 2   15 6  o 36.99836 0.7227194 0.000000   0.000000 ?         ?        701.9000   27.40000 ?        ?         36.99836 0.7227194 0.000000       0.7227194 
1 1 1 2   15 7  o 41.15353 0.7493448 0.000000   0.000000 ?         ?        868.5000   31.60000 ?        ?         41.15353 0.7493448 0.000000       0.7493448 
1 1 1 2   15 8  o 3.112048 1.524398  0.000000   0.000000 ?         ?        -32.30000  16.40000 ?        ?         3.112048 1.524398  0.000000       1.524398  
1 1 1 2   15 9  o 48.88523 0.7945240 0.000000   0.000000 ?         ?        1225.800   39.80000 ?        ?         48.88523 0.7945240 0.000000       0.7945240 
1 1 1 2   15 10 o 70.08236 0.9705673 0.000000   0.000000 ?         ?        2521.000   69.70000 ?        ?         70.08236 0.9705673 0.000000       0.9705673 
1 1 1 2   15 11 o 19.77885 0.8506394 0.000000   0.000000 ?         ?        201.1000   17.20000 ?        ?         19.77885 0.8506394 0.000000       0.8506394 
1 1 1 2   15 12 o 30.13712 0.6767780 0.000000   0.000000 ?         ?        465.8000   20.90000 ?        ?         30.13712 0.6767780 0.000000       0.6767780 
1 1 1 2   16 0  o 18.10746 0.8376334 0.000000   0.000000 ?         ?        168.6000   15.50000 ?        ?         18.10746 0.8376334 0.000000       0.8376334 
1 1 1 2   16 1  o 43.40199 0.7487490 0.000000   0.000000 ?         ?        966.3000   33.30000 ?        ?         43.40199 0.7487490 0.000000       0.7487490 
1 1 1 2   16 2  o 22.67448 0.7326281 0.000000   0.000000 ?         ?        264.0000   17.00000 ?        ?         22.67448 0.7326281 0.000000       0.7326281 
1 1 1 2   16 3  f 61.48756 0.8268983 0.000000   0.000000 ?         ?        1940.000   52.10000 ?        ?         61.48756 0.8268983 0.000000       0.8268983 
1 1 1 2   16 4  o 30.57878 0.6925341 0.000000   0.000000 ?         ?        479.6000   21.70000 ?        ?         30.57878 0.6925341 0.000000       0.6925341 
1 1 1 2   16 5  o 17.73202 0.8944649 0.000000   0.000000 ?         ?        161.8000   16.20000 ?        ?         17.73202 0.8944649 0.000000       0.8944649 
1 1 1 2   16 6  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 3   0  0  o 311.6744 4.922706  49851.60   1571.300 49851.60  1571.300 49851.60   1571.300 311.6744 4.922706  311.6744 4.922706  0.000000       0.000000  
1 1 1 3   0  1  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 3   0  2  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 3   0  3  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 3   0  4  o 16.25011 0.6266868 135.9000   10.40000 135.9000  10.40000 135.9000   10.40000 16.25011 0.6266868 16.25011 0.6266868 0.000000       0.000000  
1 1 1 3   0  5  o 36.06850 0.6959397 667.3000   25.70000 667.3000  25.70000 667.3000   25.70000 36.06850 0.6959397 36.06850 0.6959397 0.000000       0.000000  
1 1 1 3   0  6  o 80.11420 1.443317  3292.100   118.4000 3292.100  118.4000 3292.100   118.4000 80.11420 1.443317  80.11420 1.443317  0.000000       0.000000  
1 1 1 3   0  7  o 186.2943 3.071608  17808.30   586.0000 17808.30  586.0000 17808.30   586.0000 186.2943 3.071608  186.2943 3.071608  0.000000       0.000000  
1 1 1 3   0  8  o 37.79816 0.5631250 732.5000   21.80000 732.5000  21.80000 732.5000   21.80000 37.79816 0.5631250 37.79816 0.5631250 0.000000       0.000000  
1 1 1 3   0  9  o 31.98307 0.6229935 524.7000   20.40000 524.7000  20.40000 524.7000   20.40000 31.98307 0.6229935 31.98307 0.6229935 0.000000       0.000000  
1 1 1 3   0  10 o 256.3403 2.955891  33691.70   776.2000 33691.70  776.2000 33691.70   776.2000 256.3403 2.955891  256.3403 2.955891  0.000000       0.000000  
1 1 1 3   0  11 o 22.20993 0.7046384 253.5000   16.00000 253.5000  16.00000 253.5000   16.00000 22.20993 0.7046384 22.20993 0.7046384 0.000000       0.000000  
1 1 1 3   0  12 o 190.9767 2.303322  18697.90   450.6000 18697.90  450.6000 18697.90   450.6000 190.9767 2.303322  190.9767 2.303322  0.000000       0.000000  
1 1 1 3   0  13 o 42.85064 0.7703314 941.7000   33.80000 941.7000  33.80000 941.7000   33.80000 42.85064 0.7703314 42.85064 0.7703314 0.000000       0.000000  
1 1 1 3   0  14 o 35.23678 0.7374227 637.0000   26.60000 637.0000  26.60000 637.0000   26.60000 35.23678 0.7374227 35.23678 0.7374227 0.000000       0.000000  
1 1 1 3   0  15 o 7.998475 3.004178  44.20000   23.00000 44.20000  23.00000 44.20000   23.00000 7.998475 3.004178  7.998475 3.004178  0.000000       0.000000  
1 1 1 3   0  16 o 171.5455 2.081661  15087.10   365.8000 15087.10  365.8000 15087.10   365.8000 171.5455 2.081661  171.5455 2.081661  0.000000       0.000000  
1 1 1 3   0  17 o 46.17577 0.8523665 1093.600   40.30000 1093.600  40.30000 1093.600   40.30000 46.17577 0.8523665 46.17577 0.8523665 0.000000       0.000000  
1 1 1 3   0  18 o 93.87849 1.238562  4518.300   119.1000 4518.300  119.1000 4518.300   119.1000 93.87849 1.238562  93.87849 1.238562  0.000000       0.000000  
1 1 1 3   0  19 o 18.51079 0.8957733 176.8000   16.90000 176.8000  16.90000 176.8000   16.90000 18.51079 0.8957733 18.51079 0.8957733 0.000000       0.000000  
1 1 1 3   0  20 o 60.44632 0.8932450 1873.400   55.30000 1873.400  55.30000 1873.400   55.30000 60.44632 0.8932450 60.44632 0.8932450 0.000000       0.000000  
1 1 1 3   0  21 o 57.15889 0.9515782 1675.500   55.70000 1675.500  55.70000 1675.500   55.70000 57.15889 0.9515782 57.15889 0.9515782 0.000000       0.000000  
1 1 1 3   0  22 o 251.9769 2.909452  32579.30   751.0000 32579.30  751.0000 32579.30   751.0000 251.9769 2.909452  251.9769 2.909452  0.000000       0.000000  
1 1 1 3   0  23 o 87.60795 1.205788  3935.400   108.2000 3935.400  108.2000 3935.400   108.2000 87.60795 1.205788  87.60795 1.205788  0.000000       0.000000  
1 1 1 3   0  24 o 28.58692 0.7076300 419.5000   20.70000 419.5000  20.70000 419.5000   20.70000 28.58692 0.7076300 28.58692 0.7076300 0.000000       0.000000  
1 1 1 3   0  25 o 108.3478 1.382184  6019.400   153.4000 6019.400  153.4000 6019.400   153.4000 108.3478 1.382184  108.3478 1.382184  0.000000       0.000000  
1 1 1 3   0  26 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 3   0  27 o 87.64859 1.168439  3939.300   104.9000 3939.300  104.9000 3939.300   104.9000 87.64859 1.168439  87.64859 1.168439  0.000000       0.000000  
1 1 1 3   0  28 o 29.96951 0.8219811 461.3000   25.20000 461.3000  25.20000 461.3000   25.20000 29.96951 0.8219811 29.96951 0.8219811 0.000000       0.000000  
1 1 1 3   0  29 o 7.685098 2.264612  37.20000   15.50000 37.20000  15.50000 37.20000   15.50000 7.685098 2.264612  7.685098 2.264612  0.000000       0.000000  
1 1 1 3   0  30 o 59.66656 0.9917765 1826.300   60.60000 1826.300  60.60000 1826.300   60.60000 59.66656 0.9917765 59.66656 0.9917765 0.000000       0.000000  
1 1 1 3   0  31 o 50.40080 0.8447454 1303.100   43.60000 1303.100  43.60000 1303.100   43.60000 50.40080 0.8447454 50.40080 0.8447454 0.000000       0.000000  
1 1 1 3   0  32 o 11.83285 1.059638  73.50000   12.60000 73.50000  12.60000 73.50000   12.60000 11.83285 1.059638  11.83285 1.059638  0.000000       0.000000  
1 1 1 3   1  0  o 172.7226 1.388241  15287.21   245.7041 15220.60  499.9000 15351.60   483.2000 172.3073 2.831270  173.0509 2.724926  -0.7436676     3.929543  
1 1 1 3   1  1  o 215.2846 1.704255  23751.48   375.9636 23628.50  763.5000 23870.80   740.7000 214.6514 3.471179  215.7560 3.350280  -1.104584      4.824257  
1 1 1 3   1  2  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 3   1  3  o 171.0299 2.704060  0.000000   0.000000 ?         ?        14996.70   473.9000 ?        ?         171.0299 2.704060  0.000000       2.704060  
1 1 1 3   1  4  f 158.2027 1.311748  12825.46   212.6487 12075.10  413.4000 13620.30   437.9000 153.4642 2.628845  162.9881 2.621928  -9.523895      3.712861  
1 1 1 3   1  5  o 122.5202 0.8502001 7691.707   106.7400 7480.500  179.7000 8000.700   262.9000 120.8160 1.451527  124.9300 2.053646  -4.113930      2.514835  
1 1 1 3   1  6  o 48.44888 0.3835177 1202.666   19.04003 1099.400  31.10000 1365.700   49.10000 46.32125 0.6552118 51.62577 0.9281465 -5.304520      1.136115  
1 1 1 3   1  7  o 210.5176 1.400804  22712.69   302.1789 22184.20  505.9000 23496.60   750.4000 207.9986 2.373590  213.9687 3.422507  -5.970032      4.165031  
1 1 1 3   1  8  o 272.7133 1.794682  38120.28   501.5244 39172.90  877.4000 36715.80   1170.700 276.3426 3.098500  267.3909 4.272683  8.951721       5.277927  
1 1 1 3   1  9  o 268.0841 1.791341  36833.67   492.0934 36710.50  836.6000 37009.60   1195.000 267.5567 3.051432  268.5207 4.343019  -0.9640503     5.307829  
1 1 1 3   1  10 o 97.94554 0.7272699 4915.355   72.99258 4636.600  119.4000 5353.800   187.8000 95.12424 1.224940  102.2103 1.793092  -7.086052      2.171556  
1 1 1 3   1  11 o 177.3814 1.074726  16121.92   195.3459 16337.50  397.3000 15913.40   384.3000 178.5429 2.171589  176.2113 2.128326  2.331558       3.040653  
1 1 1 3   1  12 o 64.34021 0.5008112 2120.999   33.01831 1748.800  59.30000 2588.600   74.50000 58.42141 0.9905680 71.07773 1.022879  -12.65632      1.423905  
1 1 1 3   1  13 o 244.3363 1.429436  30591.87   357.8913 31294.40  726.9000 29910.50   705.0000 247.0727 2.871121  241.5490 2.848298  5.523697       4.044272  
1 1 1 3   1  14 o 71.60598 0.5222082 2627.095   38.31699 2339.200  69.70000 2978.600   85.10000 67.56676 1.006703  76.24348 1.089252  -8.676720      1.483213  
1 1 1 3   1  15 o 350.7908 1.990338  63067.58   715.4402 63250.70  1436.200 62885.80   1425.600 351.1270 3.991649  350.1147 3.973644  1.012238       5.632327  
1 1 1 3   1  16 o 35.06271 0.4047944 629.8918   14.54381 590.7000  29.70000 667.5000   28.50000 33.94272 0.8545882 36.09352 0.7705792 -2.150799      1.150701  
1 1 1 3   1  17 o 196.8214 1.178964  19851.13   237.7778 19833.40  471.0000 19869.20   480.2000 196.6858 2.336950  196.8608 2.380480  -0.1750183     3.335869  
1 1 1 3   1  18 o 231.9220 1.368417  27565.89   325.2062 27950.60  655.4000 27187.00   645.5000 233.4378 2.739914  230.2273 2.736157  3.210464       3.872168  
1 1 1 3   1  19 o 57.36766 0.4683704 1686.243   27.53309 1890.300  57.30000 1497.500   53.00000 60.73613 0.9206808 54.05831 0.9567866 6.677822       1.327815  
1 1 1 3   1  20 o 71.08041 0.5374331 2588.788   39.14468 2518.900  74.90000 2665.300   82.00000 70.10812 1.042594  72.11555 1.109651  -2.007423      1.522606  
1 1 1 3   1  21 f 174.7003 1.068944  15641.46   191.3582 15589.40  375.7000 15695.50   390.0000 174.3394 2.103038  174.9251 2.175776  -0.5856171     3.026016  
1 1 1 3   1  22 o 52.29480 0.4360490 1401.222   23.36642 1286.600  44.10000 1530.400   49.70000 50.10666 0.8589043 54.64788 0.8875334 -4.541222      1.235084  
1 1 1 3   1  23 o 46.95702 0.4295283 1129.774   20.66763 1026.300  37.80000 1254.600   45.60000 44.75195 0.8242927 49.47886 0.8993874 -4.726902      1.219982  
1 1 1 3   1  24 o 52.70488 0.4552823 1423.301   24.58838 1575.100  53.50000 1294.200   45.50000 55.43869 0.9417648 50.25351 0.8835815 5.185177       1.291370  
1 1 1 3   1  25 o 71.87936 0.5369205 2647.385   39.54691 2775.200  82.10000 2528.600   76.30000 73.58341 1.088842  70.23882 1.060105  3.344597       1.519671  
1 1 1 3   1  26 o 90.94978 0.6596985 4238.795   61.48166 4059.800  117.8000 4434.200   128.6000 88.98824 1.291857  92.99841 1.349482  -4.010178      1.868153  
1 1 1 3   1  27 o 19.25475 0.4475824 189.9690   8.830986 248.2000  19.00000 139.4000   16.50000 21.99014 0.8447645 16.46201 0.9826152 5.528128       1.295824  
1 1 1 3   1  28 f 68.75816 0.5065543 2422.575   35.69017 2241.200  66.60000 2632.000   76.90000 66.12149 0.9829540 71.65226 1.047365  -5.530769      1.436375  
1 1 1 3   1  29 o 81.78476 0.5789956 3427.761   48.52282 3384.900  96.40000 3471.200   97.70000 81.24451 1.157936  82.27362 1.158872  -1.029106      1.638231  
1 1 1 3   1  30 o 129.7553 0.8017852 8631.021   106.6060 8592.000  210.4000 8671.100   216.1000 129.3558 1.587309  129.9433 1.622940  -0.5875854     2.270129  
1 1 1 3   1  31 o 108.4944 0.6776951 6034.001   75.34253 6064.000  149.2000 6003.400   152.2000 108.6831 1.339703  108.1331 1.373591  0.5499420      1.918738  
1 1 1 3   1  32 f 54.50650 0.4307032 1522.557   24.05607 1698.300  49.50000 1356.400   46.80000 57.54622 0.8394408 51.42553 0.8881139 6.120682       1.222050  
1 1 1 3   2  0  o 167.7279 1.129587  14415.38   194.1437 15113.00  491.5000 13959.90   320.9000 171.6910 2.793686  165.0406 1.897495  6.650452       3.377154  
1 1 1 3   2  1  o 73.08543 0.5244167 2736.784   39.27405 2673.700  62.60000 2843.000   105.4000 72.23677 0.8457025 74.48476 1.380940  -2.247986      1.619323  
1 1 1 3   2  2  o 78.36731 0.5570032 3146.670   44.72919 3102.800  96.60000 3184.500   83.30000 77.81476 1.211481  78.83411 1.031175  -1.019356      1.590915  
1 1 1 3   2  3  o 68.32226 0.5484256 2391.702   38.39532 2298.600  74.00000 2492.100   79.80000 66.97614 1.078234  69.73795 1.116697  -2.761803      1.552289  
1 1 1 3   2  4  o 32.48795 0.2736321 540.7756   9.109358 504.8000  15.70000 590.5000   21.70000 31.38838 0.4881265 33.94807 0.6238014 -2.559687      0.7920831 
1 1 1 3   2  5  o 182.4415 1.197791  17057.10   223.9253 16994.60  384.6000 17144.20   536.0000 182.0701 2.061448  182.8180 2.861195  -0.7479095     3.526472  
1 1 1 3   2  6  o 112.9914 0.7860200 6541.820   91.00753 6580.700  158.9000 6489.700   213.0000 113.3162 1.368465  112.5172 1.847406  0.7989731      2.299044  
1 1 1 3   2  7  o 140.1486 0.9657458 10064.67   138.6915 10164.50  240.3000 9928.400   328.0000 140.8248 1.665238  139.1565 2.300233  1.668289       2.839734  
1 1 1 3   2  8  o 150.8144 1.033160  11654.75   159.6646 11499.40  269.2000 11881.20   392.4000 149.7899 1.753857  152.2300 2.515535  -2.440094      3.066583  
1 1 1 3   2  9  o 213.7580 1.455846  23414.71   318.8866 22787.30  538.7000 24324.90   781.5000 210.8392 2.493430  217.7824 3.501934  -6.943161      4.298923  
1 1 1 3   2  10 o 192.7055 1.311873  19028.63   259.0504 18680.00  436.7000 19537.00   636.8000 190.9108 2.232309  195.2067 3.183537  -4.295929      3.888202  
1 1 1 3   2  11 o 440.5117 2.851475  99474.21   1287.139 100592.0  2228.000 97945.00   3048.000 442.7522 4.910843  436.5753 6.813299  6.176971       8.398657  
1 1 1 3   2  12 o 151.5604 1.068938  11769.92   166.0110 11664.00  282.4000 11921.00   402.8000 150.8658 1.826735  152.5018 2.577603  -1.636032      3.159272  
1 1 1 3   2  13 o 146.9719 1.059030  11068.07   159.4928 10355.10  259.6000 12204.00   413.6000 142.1489 1.782226  154.2981 2.615902  -12.14919      3.165323  
1 1 1 3   2  14 o 80.30441 0.5759600 3304.139   47.39473 3382.800  93.80000 3223.800   95.80000 81.25173 1.126606  79.31886 1.178666  1.932869       1.630489  
1 1 1 3   2  15 o 93.78187 0.6260785 4506.308   60.16529 4200.900  112.0000 4860.800   130.0000 90.54396 1.207147  97.39523 1.302589  -6.851273      1.775934  
1 1 1 3   2  16 o 107.8380 0.7160344 5958.469   79.12321 6106.100  162.4000 5818.200   154.3000 109.1567 1.451902  106.5529 1.413196  2.603798       2.026115  
1 1 1 3   2  17 o 97.72748 1.319131  4894.400   132.1000 4894.400  132.1000 ?          ?        97.72748 1.319131  ?        ?         0.000000       1.319131  
1 1 1 3   2  18 o 150.1687 0.9237036 11555.45   142.1381 11594.60  286.9000 11517.00   281.7000 150.3915 1.861696  149.8887 1.834086  0.5028839      2.613385  
1 1 1 3   2  19 o 159.0670 0.9763609 12966.15   159.1435 13077.90  312.4000 12850.10   324.4000 159.7082 1.908909  158.3056 1.999799  1.402664       2.764621  
1 1 1 3   2  20 o 8.771307 0.9233732 39.86269   8.174924 27.70000  16.30000 52.10000   16.40000 7.267435 2.082067  9.946248 1.668116  -2.678813      2.667886  
1 1 1 3   2  21 o 153.6651 0.9509377 12100.89   149.7358 11275.10  283.7000 13023.90   317.1000 148.2812 1.867131  159.3606 1.941856  -11.07939      2.693879  
1 1 1 3   2  22 o 78.54297 0.5415380 3160.948   43.58475 3264.500  89.90000 3063.500   84.60000 79.80930 1.099279  77.31400 1.067859  2.495308       1.532559  
1 1 1 3   2  23 o 75.87916 0.5294654 2950.176   41.16787 2738.000  76.60000 3196.700   89.00000 73.09168 1.022733  78.97545 1.099764  -5.883766      1.501820  
1 1 1 3   2  24 o 140.6292 0.8987840 10135.05   129.5177 10455.30  264.6000 9828.000   253.7000 142.7801 1.808522  138.4321 1.788485  4.348007       2.543508  
1 1 1 3   2  25 o 44.83184 0.3962967 1029.827   18.20562 1023.600  34.70000 1036.700   38.30000 44.69299 0.7576903 44.97720 0.8310134 -0.2842102     1.124579  
1 1 1 3   2  26 f 62.67037 0.4826009 2012.485   30.99194 1971.900  61.00000 2054.400   63.00000 62.02683 0.9597361 63.31080 0.9711009 -1.283970      1.365332  
1 1 1 3   2  27 o 84.08254 0.5889031 3622.842   50.73971 3861.800  105.1000 3399.800   98.10000 86.79025 1.181771  81.43370 1.175619  5.356544       1.666932  
1 1 1 3   2  28 o 3.012710 1.318560  -1.882258  7.748710 3.300000  15.30000 -7.200000  15.70000 4.739277 1.952243  4.076852 1.825391  0.6624250      2.672696  
1 1 1 3   2  29 o 29.56185 0.4008603 447.7969   12.14292 392.3000  23.10000 509.3000   25.60000 27.65245 0.8161227 31.51144 0.7934487 -3.858992      1.138252  
1 1 1 3   2  30 o 81.07436 0.5557642 3368.680   46.17134 3361.700  95.60000 3375.200   89.30000 80.95206 1.152475  81.12099 1.074286  -0.1689301     1.575528  
1 1 1 3   2  31 o 55.73977 0.4509582 1592.217   25.75727 1710.700  53.70000 1483.000   49.50000 57.75548 0.9073664 53.77508 0.8983091 3.980404       1.276821  
1 1 1 3   2  32 o 38.64731 0.3680354 765.4006   14.57496 736.7000  29.10000 794.2000   29.20000 37.90458 0.7492089 39.35705 0.7240391 -1.452469      1.041896  
1 1 1 3   3  0  o 106.2186 0.7532127 5780.940   81.98167 6443.700  227.4000 5407.300   128.2000 112.1203 1.979282  102.7232 1.217927  9.397148       2.323984  
1 1 1 3   3  1  o 97.46774 1.715134  0.000000   0.000000 ?         ?        4869.100   171.3000 ?        ?         97.46774 1.715134  0.000000       1.715134  
1 1 1 3   3  2  o 68.90786 0.9502882 0.000000   0.000000 ?         ?        2433.100   67.10000 ?        ?         68.90786 0.9502882 0.000000       0.9502882 
1 1 1 3   3  3  o 117.0420 1.121456  0.000000   0.000000 ?         ?        7019.900   134.5000 ?        ?         117.0420 1.121456  0.000000       1.121456  
1 1 1 3   3  4  o 137.3440 0.8999842 9665.864   126.6610 9309.500  290.3000 9941.700   224.7000 134.7516 2.102397  139.2723 1.574490  -4.520721      2.626612  
1 1 1 3   3  5  o 195.2134 1.113674  19528.33   222.7748 19362.80  445.1000 19694.20   446.0000 194.3317 2.235196  195.9886 2.220781  -1.656876      3.150868  
1 1 1 3   3  6  o 129.6381 0.8825793 8611.452   117.2425 8571.100  203.5000 8666.300   276.6000 129.3212 1.535664  130.0215 2.076054  -0.7002716     2.582298  
1 1 1 3   3  7  o 342.3522 2.243411  60080.96   787.0104 59471.80  1352.200 60929.20   1882.900 340.4395 3.876168  344.3507 5.336148  -3.911194      6.595388  
1 1 1 3   3  8  o 117.6767 0.8095948 7095.325   97.62398 6616.700  157.8000 7871.800   256.0000 113.6329 1.355203  123.9314 2.015860  -10.29845      2.429046  
1 1 1 3   3  9  o 196.0907 1.319186  19703.10   265.0706 19475.20  454.8000 20021.50   635.4000 194.9303 2.276894  197.6137 3.137848  -2.683395      3.876898  
1 1 1 3   3  10 o 232.0333 1.544533  27589.03   367.2366 27632.20  633.1000 27529.40   874.5000 232.1793 2.661034  231.6982 3.683315  0.4811401      4.543997  
1 1 1 3   3  11 o 376.9732 2.440945  72838.88   942.9024 71677.50  1592.900 74523.60   2310.700 373.8134 4.158486  380.9357 5.919616  -7.122253      7.234284  
1 1 1 3   3  12 o 385.7651 2.508720  76279.82   991.6844 75565.70  1677.000 77313.20   2426.700 383.7921 4.264211  387.9402 6.104539  -4.148132      7.446401  
1 1 1 3   3  13 f 205.5430 1.398841  21649.05   294.6248 21666.60  502.7000 21624.20   711.8000 205.5968 2.386130  205.3503 3.382705  0.2465057      4.139603  
1 1 1 3   3  14 o 130.3178 0.9557937 8701.808   127.6340 8525.200  209.1000 8978.500   327.6000 128.9799 1.582099  132.3459 2.415656  -3.365982      2.887634  
1 1 1 3   3  15 o 112.1847 0.8205566 6448.575   94.32795 6239.200  154.5000 6776.800   242.2000 110.3420 1.366436  114.9844 2.055591  -4.642426      2.468320  
1 1 1 3   3  16 o 42.02843 0.4323581 905.0334   18.62024 971.4000  32.50000 816.0000   43.60000 43.54126 0.7284235 39.89107 1.067586  3.650192       1.292417  
1 1 1 3   3  17 o 48.07314 0.4070154 1184.088   20.04988 1249.300  40.20000 1119.200   40.00000 49.37748 0.7945088 46.73555 0.8352458 2.641937       1.152771  
1 1 1 3   3  18 o 107.6535 0.7020993 5938.323   77.45065 5586.000  141.3000 6365.700   171.4000 104.3992 1.320829  111.4422 1.500939  -7.042984      1.999352  
1 1 1 3   3  19 o 86.09141 0.5936138 3797.710   52.36754 3856.200  106.0000 3740.600   103.5000 86.74156 1.192560  85.43175 1.182286  1.309814       1.679286  
1 1 1 3   3  20 o 119.8065 0.7725697 7355.172   94.84543 7158.900  186.4000 7558.500   193.1000 118.1714 1.539342  121.4241 1.551955  -3.252716      2.185895  
1 1 1 3   3  21 o 10.06866 0.7080828 52.20474   7.258983 62.00000  12.90000 39.60000   16.60000 10.93627 1.169246  8.617751 1.928103  2.318517       2.254932  
1 1 1 3   3  22 o 101.5049 0.6766523 5279.557   70.38026 5557.900  144.4000 5014.900   137.3000 104.1264 1.353343  98.90916 1.354677  5.217262       1.914859  
1 1 1 3   3  23 o 100.7173 0.6833416 5198.006   70.52457 5115.100  141.4000 5280.500   140.7000 99.88966 1.381435  101.4930 1.352881  -1.603317      1.933559  
1 1 1 3   3  24 f 143.5096 0.8995709 10554.61   132.2863 11253.20  276.3000 9912.900   253.8000 148.1238 1.820361  139.0263 1.781543  9.097534       2.547079  
1 1 1 3   3  25 o 45.94893 0.4163851 1081.798   19.60509 1174.200  40.50000 995.1000   38.00000 47.86673 0.8257011 44.06503 0.8415717 3.801704       1.178993  
1 1 1 3   3  26 o 124.3927 0.8153329 7930.167   103.9270 7644.800  200.3000 8237.900   216.0000 122.0843 1.601116  126.7261 1.663372  -4.641800      2.308761  
1 1 1 3   3  27 o 16.63601 0.5108078 141.9491   8.697413 130.5000  17.10000 153.8000   17.70000 15.92031 1.054141  17.29242 1.003201  -1.372106      1.455207  
1 1 1 3   3  28 o 14.07998 0.5203549 101.7273   7.494667 144.7000  14.60000 56.40000   15.40000 16.78010 0.8518893 10.37949 1.490638  6.400610       1.716892  
1 1 1 3   3  29 o 35.50083 0.3950389 645.8004   14.37066 603.5000  27.50000 692.1000   30.10000 34.31236 0.7821386 36.74445 0.7994225 -2.432087      1.118399  
1 1 1 3   3  30 o 32.44463 0.3766246 539.4072   12.52131 479.8000  23.90000 605.0000   26.30000 30.59267 0.7623987 34.35343 0.7471147 -3.760757      1.067442  
1 1 1 3   3  31 o 60.42677 0.4680768 1871.317   28.98310 1951.200  59.40000 1795.200   56.60000 61.67716 0.9398612 59.16067 0.9336518 2.516491       1.324781  
1 1 1 3   3  32 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 3   4  0  o 389.8712 2.208705  77934.83   882.3832 78367.30  2461.000 77693.10   1375.600 389.9763 6.158501  389.0590 3.450471  0.9173279      7.059241  
1 1 1 3   4  1  o 186.6587 1.678780  0.000000   0.000000 ?         ?        17858.60   321.1000 ?        ?         186.6587 1.678780  0.000000       1.678780  
1 1 1 3   4  2  o 47.91266 0.4379149 0.000000   0.000000 ?         ?        1176.200   21.50000 ?        ?         47.91266 0.4379149 0.000000       0.4379149 
1 1 1 3   4  3  o 153.4458 1.439869  0.000000   0.000000 ?         ?        12067.00   226.4000 ?        ?         153.4458 1.439869  0.000000       1.439869  
1 1 1 3   4  4  o 206.0592 1.353330  21759.46   285.7552 23020.60  705.7000 20901.30   480.2000 211.8352 3.251049  201.9118 2.320930  9.923386       3.994501  
1 1 1 3   4  5  o 129.0583 0.8659842 8534.404   114.5234 8286.400  257.9000 8732.500   206.0000 127.1487 1.979434  130.5367 1.540055  -3.387947      2.507972  
1 1 1 3   4  6  o 233.7791 1.318693  28005.56   315.8987 29084.40  657.3000 27007.30   608.2000 238.1835 2.693107  229.5264 2.585921  8.657074       3.733606  
1 1 1 3   4  7  o 156.8526 0.9083512 12606.02   145.9970 13001.90  300.9000 12232.90   283.6000 159.2815 1.843565  154.5004 1.791341  4.781067       2.570532  
1 1 1 3   4  8  o 201.9080 1.163682  20888.84   240.7610 21500.60  489.5000 20296.70   473.8000 204.8154 2.332339  198.9989 2.323518  5.816513       3.292194  
1 1 1 3   4  9  o 336.5729 1.868492  58053.31   644.4196 59883.00  1328.700 56330.20   1251.300 341.7122 3.794617  331.4296 3.684443  10.28268       5.289068  
1 1 1 3   4  10 f 190.8352 1.280396  18660.99   250.3809 18477.80  424.9000 18923.80   609.6000 189.8755 2.183833  192.1212 3.096501  -2.245712      3.789121  
1 1 1 3   4  11 o 285.2018 1.882097  41685.54   550.0379 41954.20  952.0000 41317.90   1302.700 286.0462 3.247898  283.7701 4.480014  2.276093       5.533477  
1 1 1 3   4  12 o 165.7113 1.131158  14070.72   192.0763 13739.70  322.8000 14557.10   474.3000 163.7350 1.923949  168.5098 2.746817  -4.774750      3.353593  
1 1 1 3   4  13 o 100.8451 0.7673444 5210.750   79.29461 4935.900  127.4000 5663.800   210.0000 98.14518 1.266783  105.1232 1.949495  -6.978058      2.324924  
1 1 1 3   4  14 o 254.5811 1.705185  33215.75   444.8321 33154.50  761.5000 33301.80   1069.700 254.2764 2.922574  254.7380 4.097980  -0.4616699     5.033377  
1 1 1 3   4  15 o 281.2436 1.878324  40543.10   541.3169 40873.30  929.9000 40083.10   1295.400 282.2717 3.214923  279.3606 4.525227  2.911102       5.550983  
1 1 1 3   4  16 o 128.8375 0.9267190 8505.648   122.3457 8222.500  201.9000 8941.100   310.5000 126.6605 1.555595  132.0520 2.294660  -5.391441      2.772245  
1 1 1 3   4  17 o 188.2228 1.285345  18156.86   247.9078 17503.40  412.9000 19138.70   620.4000 184.7537 2.180989  193.1043 3.135317  -8.350647      3.819283  
1 1 1 3   4  18 o 62.54922 0.5390474 2004.655   34.54993 1943.600  58.40000 2093.100   84.60000 61.58557 0.9254129 63.90462 1.291932  -2.319054      1.589175  
1 1 1 3   4  19 o 92.65311 0.7203526 4398.898   68.39172 4414.500  113.8000 4375.400   171.4000 92.80685 1.196641  92.37393 1.810769  0.4329147      2.170445  
1 1 1 3   4  20 o 134.7298 0.8304604 9301.941   114.6519 9603.700  234.1000 9012.300   224.7000 136.8605 1.669264  132.5804 1.653961  4.280045       2.349900  
1 1 1 3   4  21 o 91.00757 0.6260968 4243.954   58.38717 3921.500  107.5000 4627.300   127.8000 87.46922 1.199375  95.01141 1.312673  -7.542198      1.778092  
1 1 1 3   4  22 o 73.33958 0.5296087 2756.011   39.80082 2700.000  76.90000 2816.100   82.50000 72.58215 1.033947  74.12505 1.086152  -1.542900      1.499590  
1 1 1 3   4  23 f 40.01771 0.4000570 820.5302   16.40486 973.5000  35.10000 686.3000   30.80000 43.58548 0.7858993 36.59543 0.8213446 6.990044       1.136769  
1 1 1 3   4  24 o 59.01635 0.4317792 1784.600   26.11154 1673.100  49.00000 1911.800   55.90000 57.13795 0.8368990 61.07701 0.8931732 -3.939056      1.223993  
1 1 1 3   4  25 o 87.11241 0.6307357 3888.640   56.30226 4108.100  116.8000 3684.400   108.7000 89.51485 1.273355  84.77403 1.251320  4.740822       1.785282  
1 1 1 3   4  26 o 116.1880 0.7357300 6918.330   87.59478 7149.900  179.7000 6698.100   170.9000 118.0705 1.485279  114.2813 1.459380  3.789246       2.082269  
1 1 1 3   4  27 o 79.39732 0.5605817 3230.414   45.60822 3240.300  93.00000 3220.900   89.50000 79.49622 1.141664  79.25990 1.101973  0.2363129      1.586739  
1 1 1 3   4  28 o 50.35674 0.4014306 1299.370   20.71411 1340.900  42.40000 1259.700   40.50000 51.14628 0.8090091 49.57381 0.7972680 1.572468       1.135840  
1 1 1 3   4  29 o 37.54427 0.3670961 722.2859   14.12283 709.2000  27.90000 735.7000   28.60000 37.19578 0.7320017 37.88422 0.7367317 -0.6884346     1.038557  
1 1 1 3   4  30 o 14.80394 0.4800298 112.4332   7.272260 126.5000  15.50000 100.0000   13.70000 15.67469 0.9697646 13.92979 0.9657726 1.744894       1.368634  
1 1 1 3   4  31 o 47.70285 0.4689515 1166.244   22.92295 1075.100  36.10000 1324.800   62.80000 45.78906 0.7693909 50.79868 1.206449  -5.009621      1.430902  
1 1 1 3   5  0  o 204.4111 1.872903  0.000000   0.000000 ?         ?        21415.90   392.3000 ?        ?         204.4111 1.872903  0.000000       1.872903  
1 1 1 3   5  1  o 184.5486 1.688456  0.000000   0.000000 ?         ?        17454.70   319.3000 ?        ?         184.5486 1.688456  0.000000       1.688456  
1 1 1 3   5  2  o 107.9554 0.9202483 0.000000   0.000000 ?         ?        5971.600   101.8000 ?        ?         107.9554 0.9202483 0.000000       0.9202483 
1 1 1 3   5  3  o 47.21743 0.4464297 0.000000   0.000000 ?         ?        1142.300   21.60000 ?        ?         47.21743 0.4464297 0.000000       0.4464297 
1 1 1 3   5  4  o 102.2707 0.6201795 5358.999   64.99308 5626.400  180.7000 5208.800   101.5000 104.7815 1.682966  100.8251 0.9824238 3.956345       1.948725  
1 1 1 3   5  5  o 91.87197 0.6324955 4324.606   59.54412 4551.100  147.4000 4171.100   99.90000 94.24070 1.526373  90.22426 1.080547  4.016441       1.870133  
1 1 1 3   5  6  o 99.89664 0.7025574 5113.104   71.91692 5643.800  182.0000 4766.400   118.9000 104.9445 1.692440  96.44727 1.203077  8.497246       2.076475  
1 1 1 3   5  7  o 191.4871 1.085940  18788.06   213.0805 18984.60  434.0000 18598.50   418.6000 192.4622 2.200624  190.4966 2.144438  1.965561       3.072680  
1 1 1 3   5  8  o 34.43793 0.3194281 607.6389   11.27220 799.5000  27.10000 471.0000   19.30000 39.50192 0.6695033 30.31938 0.6212102 9.182535       0.9133109 
1 1 1 3   5  9  o 313.9401 1.756774  50508.04   565.1464 50256.10  1115.200 50766.90   1145.800 313.0525 3.476459  314.6331 3.553907  -1.580597      4.971521  
1 1 1 3   5  10 o 217.7530 1.253474  24296.83   279.6907 25069.90  579.4000 23575.40   540.7000 221.1475 2.556808  214.4586 2.460450  6.688934       3.548391  
1 1 1 3   5  11 o 205.1803 1.190007  21572.01   250.1978 21752.10  501.9000 21393.00   498.9000 205.9988 2.377684  204.2911 2.383228  1.707672       3.366475  
1 1 1 3   5  12 o 126.7542 0.7722289 8232.218   100.3014 8788.100  211.1000 7729.000   191.1000 130.9527 1.573170  122.8095 1.518555  8.143196       2.186521  
1 1 1 3   5  13 o 105.8012 0.6747273 5735.486   73.15047 5591.400  141.1000 5890.600   151.9000 104.4567 1.318234  107.2141 1.382635  -2.757378      1.910346  
1 1 1 3   5  14 o 153.5336 1.079392  12079.24   169.8170 11272.20  278.4000 13341.40   435.4000 148.2952 1.832077  161.2962 2.634303  -13.00102      3.208747  
1 1 1 3   5  15 o 161.1104 1.130305  13301.49   186.6025 13159.50  310.3000 13515.70   468.1000 160.2202 1.890019  162.3203 2.814281  -2.100128      3.390037  
1 1 1 3   5  16 o 164.7712 1.144724  13913.49   193.2771 13431.90  319.3000 14652.10   489.7000 161.8585 1.925152  168.9836 2.828051  -7.125031      3.421123  
1 1 1 3   5  17 o 199.0479 1.397193  20308.23   284.9787 19842.90  485.0000 20971.20   691.0000 196.6705 2.406601  202.0649 3.337250  -5.394409      4.114483  
1 1 1 3   5  18 o 157.3333 1.112123  12686.56   179.2965 12878.50  308.4000 12420.00   428.3000 158.4719 1.899169  155.5551 2.686985  2.916794       3.290400  
1 1 1 3   5  19 o 12.74022 0.7096421 83.43040   9.227734 97.60000  16.40000 65.20000   21.10000 13.74937 1.175285  11.11718 1.921701  2.632195       2.252605  
1 1 1 3   5  20 o 204.7034 1.386292  21480.93   290.7890 22146.00  510.7000 20601.50   675.3000 207.7362 2.399138  200.2187 3.291500  7.517548       4.073062  
1 1 1 3   5  21 o 144.0901 1.019285  10640.70   150.4972 10444.30  255.5000 10922.20   366.2000 142.7117 1.747161  145.8767 2.449819  -3.165009      3.009017  
1 1 1 3   5  22 o 156.5704 1.092927  12564.65   175.3473 12588.50  299.6000 12531.00   422.8000 156.6627 1.866284  156.2190 2.641209  0.4436951      3.234038  
1 1 1 3   5  23 o 5.990247 1.866500  18.24349   12.68697 97.90000  34.40000 -28.30000  20.10000 13.58653 2.564876  3.799585 1.818344  9.786948       3.144036  
1 1 1 3   5  24 o 105.8449 0.7008306 5741.060   76.01188 5580.500  145.3000 5917.200   159.4000 104.3267 1.359164  107.4226 1.448086  -3.095940      1.986021  
1 1 1 3   5  25 o 103.2037 0.6878753 5458.251   72.74506 5706.900  149.6000 5222.900   141.6000 105.4934 1.383911  100.9218 1.369241  4.571587       1.946800  
1 1 1 3   5  26 o 233.3156 1.357393  27918.71   324.5246 27997.20  649.8000 27840.40   648.3000 233.2884 2.718242  232.6337 2.719599  0.6546783      3.845135  
1 1 1 3   5  27 o 60.88036 0.4700285 1899.271   29.32242 1896.200  58.10000 1902.400   59.20000 60.81796 0.9322790 60.91669 0.9483901 -0.9873199E-01 1.329883  
1 1 1 3   5  28 o 54.54129 0.4165769 1524.343   23.28193 1411.400  43.80000 1652.500   49.70000 52.47099 0.8146226 56.77444 0.8542897 -4.303448      1.180433  
1 1 1 3   5  29 o 52.98013 0.5216225 1438.541   28.31833 1547.400  50.30000 1298.300   64.80000 54.93255 0.8935931 50.29591 1.257315  4.636642       1.542514  
1 1 1 3   5  30 o 71.27574 0.5682853 2603.980   41.50559 2451.900  64.60000 2877.300   116.1000 69.13981 0.9118134 74.82554 1.514203  -5.685730      1.767544  
1 1 1 3   6  0  o 28.18100 0.4709602 0.000000   0.000000 ?         ?        406.9000   13.60000 ?        ?         28.18100 0.4709602 0.000000       0.4709602 
1 1 1 3   6  1  o 107.4081 0.9231198 0.000000   0.000000 ?         ?        5911.100   101.6000 ?        ?         107.4081 0.9231198 0.000000       0.9231198 
1 1 1 3   6  2  o 105.0967 0.8867797 0.000000   0.000000 ?         ?        5659.400   95.50000 ?        ?         105.0967 0.8867797 0.000000       0.8867797 
1 1 1 3   6  3  o 63.89710 0.5834234 0.000000   0.000000 ?         ?        2091.900   38.20000 ?        ?         63.89710 0.5834234 0.000000       0.5834234 
1 1 1 3   6  4  o 224.2215 2.076944  0.000000   0.000000 ?         ?        25766.40   477.2000 ?        ?         224.2215 2.076944  0.000000       2.076944  
1 1 1 3   6  5  o 196.9104 1.153376  19867.68   232.7223 18906.70  593.6000 20487.40   382.8000 192.0356 3.016573  199.9423 1.868395  -7.906754      3.548325  
1 1 1 3   6  6  o 157.7598 1.060802  12752.56   171.4862 12829.50  409.0000 12697.00   295.3000 158.2041 2.522941  157.4027 1.830850  0.8014221      3.117249  
1 1 1 3   6  7  o 301.7673 1.945555  46670.10   601.6088 45904.50  1411.500 47238.80   1048.500 299.0826 4.605655  303.5123 3.371271  -4.429779      5.707673  
1 1 1 3   6  8  o 262.7640 1.477668  35381.54   397.8701 36338.00  821.1000 34482.40   771.9000 266.2182 3.009954  259.3384 2.904663  6.879791       4.182929  
1 1 1 3   6  9  o 323.7399 1.794645  53713.13   595.3511 52161.20  1161.600 55344.80   1221.300 318.9004 3.554702  328.4807 3.628392  -9.580322      5.079481  
1 1 1 3   6  10 o 181.3673 1.045267  16855.06   194.2606 17058.80  391.9000 16654.80   385.2000 182.4322 2.096406  180.2594 2.085403  2.172836       2.956995  
1 1 1 3   6  11 o 197.8701 1.143300  20062.63   231.8135 19568.60  456.2000 20573.00   471.3000 195.3792 2.278656  200.3297 2.295904  -4.950577      3.234725  
1 1 1 3   6  12 f 163.8049 0.9649599 13749.03   161.9700 13530.00  315.9000 13979.50   332.4000 162.4683 1.897503  165.1424 1.964282  -2.674133      2.731103  
1 1 1 3   6  13 o 153.4720 0.9084126 12069.20   142.8600 11403.80  269.2000 12821.60   304.4000 149.1568 1.761301  158.1525 1.878323  -8.995667      2.574933  
1 1 1 3   6  14 o 223.5312 1.305161  25607.75   298.9516 25362.30  579.6000 25869.20   617.4000 222.3667 2.543667  224.5639 2.683048  -2.197144      3.697159  
1 1 1 3   6  15 o 168.9225 1.004796  14622.88   173.9257 15213.70  360.8000 14073.00   335.8000 172.2454 2.044187  165.6667 1.978094  6.578659       2.844566  
1 1 1 3   6  16 o 75.20440 0.5219563 2897.898   40.22312 3045.500  81.00000 2752.300   79.90000 77.08871 1.025406  73.28333 1.064004  3.805382       1.477688  
1 1 1 3   6  17 o 114.6460 0.7052333 6735.069   82.84953 6422.700  155.6000 7090.800   177.2000 111.9363 1.356563  117.6093 1.470360  -5.672989      2.000555  
1 1 1 3   6  18 o 84.03568 0.6389745 3618.630   55.02317 3649.900  94.10000 3574.600   132.5000 84.38905 1.088191  83.50019 1.548567  0.8888626      1.892675  
1 1 1 3   6  19 o 154.2417 1.067346  12193.12   168.6962 11771.30  278.7000 12840.00   427.4000 151.5046 1.795200  158.1473 2.637389  -6.642761      3.190386  
1 1 1 3   6  20 o 26.13743 0.4599440 350.0434   12.31874 372.6000  21.10000 318.4000   29.60000 26.95406 0.7647142 24.89661 1.163472  2.057447       1.392284  
1 1 1 3   6  21 o 117.2033 0.8766273 7039.723   105.2818 6894.700  178.1000 7249.400   257.5000 115.9622 1.498819  118.8651 2.114094  -2.902931      2.591496  
1 1 1 3   6  22 o 15.11076 0.7847816 117.3283   12.10996 96.40000  20.40000 147.9000   29.80000 13.63125 1.484433  16.89153 1.746842  -3.260279      2.292379  
1 1 1 3   6  23 o 69.89256 0.5959178 2503.177   42.67913 2759.300  81.50000 2221.600   89.60000 73.36917 1.084041  65.82579 1.328353  7.543381       1.714546  
1 1 1 3   6  24 o 52.25164 0.5037185 1399.006   26.97033 1427.000  48.60000 1364.100   60.60000 52.76503 0.8988593 51.58295 1.146484  1.182076       1.456837  
1 1 1 3   6  25 o 176.3644 1.224875  15949.51   221.3610 15990.30  372.3000 15889.70   546.0000 176.4573 2.058994  175.6630 3.033290  0.7943115      3.666102  
1 1 1 3   6  26 o 33.46680 0.3727867 573.9006   12.78418 569.8000  24.70000 578.3000   26.50000 33.34278 0.7229309 33.58978 0.7699108 -0.2469978     1.056121  
1 1 1 3   6  27 f 72.56281 0.4983206 2698.272   37.05282 2685.700  70.50000 2712.200   78.10000 72.37395 0.9506234 72.72427 1.048029  -0.3503265     1.414938  
1 1 1 3   6  28 o 45.28152 0.3682326 1050.686   17.08605 970.4000  31.60000 1145.200   37.20000 43.50863 0.7087830 47.26291 0.7681112 -3.754280      1.045164  
1 1 1 3   6  29 o 17.56739 0.8188573 158.6000   14.70000 158.6000  14.70000 ?          ?        17.56739 0.8188573 ?        ?         0.000000       0.8188573 
1 1 1 3   6  30 o 49.76154 0.7962214 1269.900   40.60000 1269.900  40.60000 ?          ?        49.76154 0.7962214 ?        ?         0.000000       0.7962214 
1 1 1 3   7  0  o 178.0772 2.290707  0.000000   0.000000 ?         ?        16254.00   418.0000 ?        ?         178.0772 2.290707  0.000000       2.290707  
1 1 1 3   7  1  o 351.8890 2.748335  0.000000   0.000000 ?         ?        63479.50   991.0000 ?        ?         351.8890 2.748335  0.000000       2.748335  
1 1 1 3   7  2  o 199.7069 1.611607  0.000000   0.000000 ?         ?        20438.20   329.8000 ?        ?         199.7069 1.611607  0.000000       1.611607  
1 1 1 3   7  3  o 305.4263 2.383604  0.000000   0.000000 ?         ?        47816.50   746.0000 ?        ?         305.4263 2.383604  0.000000       2.383604  
1 1 1 3   7  4  o 40.09067 0.4892765 0.000000   0.000000 ?         ?        823.5000   20.10000 ?        ?         40.09067 0.4892765 0.000000       0.4892765 
1 1 1 3   7  5  o 104.2418 1.038225  0.000000   0.000000 ?         ?        5567.900   110.9000 ?        ?         104.2418 1.038225  0.000000       1.038225  
1 1 1 3   7  6  o 135.5948 0.8231515 9420.644   114.3724 9578.000  307.8000 9327.600   182.0000 136.6974 2.197405  134.9172 1.316454  1.780167       2.561570  
1 1 1 3   7  7  o 119.3823 0.8131979 7302.566   99.47973 7012.700  224.4000 7533.400   178.7000 116.9733 1.872138  121.2464 1.438325  -4.273155      2.360864  
1 1 1 3   7  8  o 184.1779 1.222887  17382.37   230.7928 17412.60  545.4000 17360.20   400.1000 184.2740 2.888369  184.0323 2.121661  0.2416840      3.583870  
1 1 1 3   7  9  o 112.4705 0.7828385 6481.514   90.22135 6299.900  204.1000 6625.400   161.7000 110.8670 1.796563  113.7035 1.387835  -2.836533      2.270181  
1 1 1 3   7  10 o 144.0405 0.8451222 10631.11   124.7391 10742.20  256.2000 10525.70   243.1000 144.7695 1.727046  143.3055 1.655480  1.463989       2.392342  
1 1 1 3   7  11 o 123.7350 0.7529651 7844.958   95.46974 7826.100  187.6000 7864.500   194.4000 123.5710 1.481556  123.8724 1.531523  -0.3013916     2.130861  
1 1 1 3   7  12 o 75.28762 0.4910743 2904.249   37.88516 2839.800  74.30000 2971.300   77.30000 74.44297 0.9740175 76.14683 0.9906707 -1.703857      1.389294  
1 1 1 3   7  13 o 85.05310 0.5474928 3706.596   47.71632 3876.000  99.60000 3550.800   91.60000 86.96653 1.117658  83.23915 1.073914  3.727379       1.549984  
1 1 1 3   7  14 o 79.61094 0.5599647 3247.477   45.68060 3192.000  94.30000 3299.600   88.60000 78.91826 1.166100  80.23925 1.077577  -1.320992      1.587754  
1 1 1 3   7  15 o 147.1345 0.8890744 11093.98   134.0452 11018.50  260.8000 11173.80   275.8000 146.5906 1.736213  147.6140 1.823342  -1.023453      2.517740  
1 1 1 3   7  16 f 105.1896 0.6622457 5669.778   71.38226 5529.000  138.5000 5819.500   147.3000 103.8577 1.301406  106.5493 1.349130  -2.691628      1.874516  
1 1 1 3   7  17 o 64.82154 0.4740061 2152.957   31.48485 2162.600  60.80000 2142.600   65.30000 64.96082 0.9133847 64.65845 0.9855746 0.3023605      1.343737  
1 1 1 3   7  18 o 69.07307 0.4872004 2444.652   34.48378 2234.000  64.20000 2689.100   74.50000 66.02351 0.9489385 72.43584 1.003701  -6.412331      1.381268  
1 1 1 3   7  19 o 128.8818 0.7903062 8512.118   104.3723 8273.200  202.4000 8766.500   215.5000 127.0242 1.554983  130.7529 1.608414  -3.728676      2.237178  
1 1 1 3   7  20 o 247.3586 1.417722  31370.19   359.3491 30803.40  708.4000 31953.70   729.3000 244.8677 2.823245  249.3906 2.853827  -4.522888      4.014355  
1 1 1 3   7  21 o 185.1931 1.080147  17579.40   204.9774 17685.90  403.8000 17469.60   416.3000 185.6396 2.122743  184.4893 2.202099  1.150299       3.058640  
1 1 1 3   7  22 o 58.58257 0.4925062 1758.530   29.56504 1617.800  47.80000 1986.700   77.50000 56.18433 0.8302604 62.25110 1.214944  -6.066772      1.471537  
1 1 1 3   7  23 o 57.49152 0.5180991 1693.685   30.52214 1719.800  51.90000 1656.400   74.10000 57.92606 0.8743696 56.83650 1.272309  1.089558       1.543791  
1 1 1 3   7  24 o 20.17743 0.4667213 208.6193   9.649878 157.7000  15.60000 291.2000   25.30000 17.51865 0.8717504 23.81026 1.039455  -6.291611      1.356619  
1 1 1 3   7  25 o 47.18847 0.4574319 1141.045   22.11876 1211.600  39.00000 1048.600   51.10000 48.61875 0.7828210 45.22086 1.102767  3.397892       1.352370  
1 1 1 3   7  26 o 102.6551 0.7564520 5401.840   79.57201 5372.700  136.6000 5442.500   190.6000 102.3288 1.302731  102.9225 1.807233  -0.5937424     2.227824  
1 1 1 3   7  27 o 11.44852 1.274643  68.10000   14.70000 68.10000  14.70000 ?          ?        11.44852 1.274643  ?        ?         0.000000       1.274643  
1 1 1 3   7  28 o 15.66117 0.8002573 126.1000   12.80000 126.1000  12.80000 ?          ?        15.66117 0.8002573 ?        ?         0.000000       0.8002573 
1 1 1 3   7  29 o 54.70930 0.7652401 1534.900   42.90000 1534.900  42.90000 ?          ?        54.70930 0.7652401 ?        ?         0.000000       0.7652401 
1 1 1 3   8  0  o 183.4858 1.482832  0.000000   0.000000 ?         ?        17253.00   278.8000 ?        ?         183.4858 1.482832  0.000000       1.482832  
1 1 1 3   8  1  o 68.48165 0.6683443 0.000000   0.000000 ?         ?        2402.900   46.90000 ?        ?         68.48165 0.6683443 0.000000       0.6683443 
1 1 1 3   8  2  o 46.16376 0.5306085 0.000000   0.000000 ?         ?        1091.900   25.10000 ?        ?         46.16376 0.5306085 0.000000       0.5306085 
1 1 1 3   8  3  o 226.3868 1.795849  0.000000   0.000000 ?         ?        26267.20   416.6000 ?        ?         226.3868 1.795849  0.000000       1.795849  
1 1 1 3   8  4  o 38.10891 0.4558218 0.000000   0.000000 ?         ?        744.1000   17.80000 ?        ?         38.10891 0.4558218 0.000000       0.4558218 
1 1 1 3   8  5  o 171.2996 1.407726  0.000000   0.000000 ?         ?        15037.70   247.1000 ?        ?         171.2996 1.407726  0.000000       1.407726  
1 1 1 3   8  6  o 38.14185 0.5603301 0.000000   0.000000 ?         ?        745.4000   21.90000 ?        ?         38.14185 0.5603301 0.000000       0.5603301 
1 1 1 3   8  7  o 292.4380 1.685769  43833.88   505.1616 45260.20  1409.000 43036.70   787.5000 296.7691 4.633337  289.6811 2.652968  7.088013       5.339106  
1 1 1 3   8  8  f 139.0590 0.8328229 9908.626   118.6725 10089.10  322.4000 9803.500   187.8000 140.2724 2.242976  138.3079 1.325105  1.964432       2.605157  
1 1 1 3   8  9  o 115.7532 0.8058178 6865.684   95.58029 6446.400  210.9000 7213.200   174.8000 112.1365 1.835402  118.6319 1.437943  -6.495430      2.331604  
1 1 1 3   8  10 o 232.7724 1.521872  27773.46   363.0012 28914.30  892.2000 26990.90   612.0000 237.2440 3.670022  229.3686 2.603869  7.875427       4.499910  
1 1 1 3   8  11 o 102.4230 0.7162631 5375.429   75.17413 4924.600  163.3000 5760.000   139.3000 98.01052 1.625980  106.0101 1.282347  -7.999535      2.070803  
1 1 1 3   8  12 o 144.2261 0.9643192 10660.01   142.5158 10747.90  340.7000 10596.80   245.0000 144.7406 2.297119  143.7648 1.663088  0.9757843      2.835951  
1 1 1 3   8  13 o 133.2425 0.9181899 9098.155   125.3643 8196.400  269.9000 9880.300   234.1000 126.4073 2.083687  138.8167 1.645741  -12.40939      2.655224  
1 1 1 3   8  14 o 46.32461 0.3864920 1099.538   18.34639 1039.600  35.30000 1164.400   38.20000 45.04153 0.7648269 47.66829 0.7820517 -2.626751      1.093876  
1 1 1 3   8  15 o 183.7067 1.082797  17296.93   203.8310 17002.40  400.3000 17602.50   415.3000 182.0435 2.145913  185.2232 2.188105  -3.179718      3.064759  
1 1 1 3   8  16 o 92.28776 0.5831327 4364.173   55.14547 4261.500  111.3000 4465.000   109.3000 91.18059 1.191227  93.33390 1.142832  -2.153313      1.650783  
1 1 1 3   8  17 o 26.39727 0.3516884 357.0291   9.512954 258.2000  17.00000 482.6000   21.60000 22.43465 0.7405027 30.68856 0.6868768 -8.253910      1.010022  
1 1 1 3   8  18 o 115.8096 0.6981075 6872.731   82.84482 6391.000  155.2000 7424.300   177.7000 111.6516 1.356527  120.3347 1.441113  -8.683121      1.979134  
1 1 1 3   8  19 o 53.39642 0.4299507 1460.904   23.52497 1457.300  47.10000 1464.500   47.00000 53.32513 0.8619669 53.45676 0.8580189 -0.1316338     1.216217  
1 1 1 3   8  20 o 212.7874 1.221518  23212.40   266.3447 22801.90  523.6000 23637.40   542.1000 210.7121 2.425000  214.5292 2.466009  -3.817078      3.458587  
1 1 1 3   8  21 o 102.9113 0.6643791 5427.294   70.06116 5300.500  136.9000 5560.200   143.5000 101.6717 1.314029  104.1307 1.344853  -2.458961      1.880240  
1 1 1 3   8  22 o 36.21037 0.3500890 671.8342   12.99002 757.4000  27.40000 594.7000   24.70000 38.44354 0.6955507 34.06495 0.7076049 4.378590       0.9922174 
1 1 1 3   8  23 f 58.93283 0.4388129 1779.654   26.49934 1775.100  51.40000 1784.500   54.70000 58.84753 0.8523864 59.00144 0.9047453 -0.1539078     1.243031  
1 1 1 3   8  24 o 36.77553 0.3510706 692.9891   13.22976 779.3000  28.10000 616.2000   25.00000 38.99310 0.7032670 34.67338 0.7036318 4.319717       0.9948277 
1 1 1 3   8  25 o 17.96910 0.8386791 165.9000   15.40000 165.9000  15.40000 ?          ?        17.96910 0.8386791 ?        ?         0.000000       0.8386791 
1 1 1 3   8  26 o 93.18476 1.169795  4456.000   111.7000 4456.000  111.7000 ?          ?        93.18476 1.169795  ?        ?         0.000000       1.169795  
1 1 1 3   8  27 o 60.13810 0.8405852 1854.800   51.80000 1854.800  51.80000 ?          ?        60.13810 0.8405852 ?        ?         0.000000       0.8405852 
1 1 1 3   8  28 o 84.12823 1.400126  3637.500   120.7000 3637.500  120.7000 ?          ?        84.12823 1.400126  ?        ?         0.000000       1.400126  
1 1 1 3   9  0  o 183.7794 1.493207  0.000000   0.000000 ?         ?        17310.40   281.2000 ?        ?         183.7794 1.493207  0.000000       1.493207  
1 1 1 3   9  1  o 170.0694 1.383479  0.000000   0.000000 ?         ?        14823.40   241.1000 ?        ?         170.0694 1.383479  0.000000       1.383479  
1 1 1 3   9  2  f 220.5729 1.754255  0.000000   0.000000 ?         ?        24939.30   396.5000 ?        ?         220.5729 1.754255  0.000000       1.754255  
1 1 1 3   9  3  f 111.2317 0.9431519 0.000000   0.000000 ?         ?        6340.000   107.5000 ?        ?         111.2317 0.9431519 0.000000       0.9431519 
1 1 1 3   9  4  o 169.2567 1.372248  0.000000   0.000000 ?         ?        14682.60   238.0000 ?        ?         169.2567 1.372248  0.000000       1.372248  
1 1 1 3   9  5  o 112.6380 0.9617000 0.000000   0.000000 ?         ?        6501.500   111.0000 ?        ?         112.6380 0.9617000 0.000000       0.9617000 
1 1 1 3   9  6  o 141.8128 1.189820  0.000000   0.000000 ?         ?        10306.80   172.9000 ?        ?         141.8128 1.189820  0.000000       1.189820  
1 1 1 3   9  7  o 150.1422 1.439702  0.000000   0.000000 ?         ?        11555.10   221.5000 ?        ?         150.1422 1.439702  0.000000       1.439702  
1 1 1 3   9  8  o 37.09566 0.5866559 0.000000   0.000000 ?         ?        705.1000   22.30000 ?        ?         37.09566 0.5866559 0.000000       0.5866559 
1 1 1 3   9  9  o 55.21508 0.4021502 1562.076   22.75330 1600.100  58.10000 1537.600   37.40000 55.87669 1.014722  54.77876 0.6662866 1.097927       1.213919  
1 1 1 3   9  10 o 79.57640 0.5747005 3244.718   46.86237 3202.100  109.9000 3276.400   81.70000 79.03544 1.356993  79.95656 0.9971709 -0.9211197     1.683977  
1 1 1 3   9  11 o 64.73937 0.5040703 2147.519   33.43936 2165.700  80.50000 2134.600   57.20000 65.00159 1.208575  64.53978 0.8649085 0.4618149      1.486176  
1 1 1 3   9  12 o 118.8436 0.8411154 7237.888   102.4306 6594.900  229.5000 7756.200   185.0000 113.3881 1.975226  122.9988 1.467819  -9.610695      2.460896  
1 1 1 3   9  13 o 59.75832 0.4744518 1829.767   29.05286 1763.000  64.30000 1884.800   53.00000 58.64951 1.069912  60.64558 0.8528611 -1.996075      1.368241  
1 1 1 3   9  14 o 21.87717 0.3719125 245.2278   8.337392 360.0000  20.40000 165.9000   14.10000 26.49432 0.7521747 17.97642 0.7672158 8.517906       1.074424  
1 1 1 3   9  15 o 104.3696 0.7347983 5582.065   78.58517 5381.100  176.9000 5742.700   141.4000 102.4343 1.685327  105.8402 1.303769  -3.405907      2.130760  
1 1 1 3   9  16 o 62.62964 0.4870853 2009.853   31.25959 2265.200  79.30000 1843.700   51.60000 66.47617 1.164150  59.98012 0.8395450 6.496052       1.435298  
1 1 1 3   9  17 o 50.11238 0.4364161 1286.735   22.41012 1337.200  50.80000 1246.900   40.10000 51.07849 0.9705709 49.32657 0.7933505 1.751923       1.253560  
1 1 1 3   9  18 o 58.05104 0.4319607 1726.718   25.69524 1828.000  53.20000 1632.100   49.70000 59.72237 0.8693131 56.43179 0.8594769 3.290577       1.222459  
1 1 1 3   9  19 o 156.3967 0.9294321 12537.09   148.9511 12796.30  303.4000 12287.10   292.6000 157.9087 1.875042  154.7390 1.845339  3.169754       2.630791  
1 1 1 3   9  20 o 55.64684 0.4338906 1586.690   24.74111 1764.600  53.40000 1433.100   46.10000 58.67453 0.8881643 52.87764 0.8508058 5.796883       1.229921  
1 1 1 3   9  21 f 100.6164 0.6262313 5188.106   64.56570 5118.600  127.6000 5259.300   130.7000 99.90511 1.246421  101.2679 1.259521  -1.362778      1.771993  
1 1 1 3   9  22 o 119.0527 0.8804998 7265.835   107.4155 7422.300  182.2000 7041.100   261.7000 120.2677 1.478431  117.0320 2.182231  3.235718       2.635885  
1 1 1 3   9  23 o 77.95838 0.6146850 3114.828   49.10365 3151.800  83.60000 3062.200   119.0000 78.39611 1.040671  77.23497 1.503608  1.161140       1.828615  
1 1 1 3   9  24 o 73.00242 0.5832688 2731.494   43.63192 2686.300  72.80000 2799.100   108.9000 72.37192 0.9816642 73.83221 1.439407  -1.460297      1.742285  
1 1 1 3   9  25 o 23.83104 0.6927980 291.4000   16.90000 291.4000  16.90000 ?          ?        23.83104 0.6927980 ?        ?         0.000000       0.6927980 
1 1 1 3   9  26 o 46.60516 0.7496364 1113.800   35.80000 1113.800  35.80000 ?          ?        46.60516 0.7496364 ?        ?         0.000000       0.7496364 
1 1 1 3   10 0  o 124.6870 1.044868  0.000000   0.000000 ?         ?        7967.600   133.5000 ?        ?         124.6870 1.044868  0.000000       1.044868  
1 1 1 3   10 1  o 47.25554 0.5080238 0.000000   0.000000 ?         ?        1144.200   24.60000 ?        ?         47.25554 0.5080238 0.000000       0.5080238 
1 1 1 3   10 2  o 163.4852 1.363985  0.000000   0.000000 ?         ?        13700.40   228.5000 ?        ?         163.4852 1.363985  0.000000       1.363985  
1 1 1 3   10 3  o 28.16990 0.4953958 0.000000   0.000000 ?         ?        406.6000   14.30000 ?        ?         28.16990 0.4953958 0.000000       0.4953958 
1 1 1 3   10 4  o 11.26054 0.7937348 0.000000   0.000000 ?         ?        65.30000   9.100000 ?        ?         11.26054 0.7937348 0.000000       0.7937348 
1 1 1 3   10 5  o 99.77110 0.8734707 0.000000   0.000000 ?         ?        5101.200   89.30000 ?        ?         99.77110 0.8734707 0.000000       0.8734707 
1 1 1 3   10 6  o 51.06439 0.5198193 0.000000   0.000000 ?         ?        1336.100   27.20000 ?        ?         51.06439 0.5198193 0.000000       0.5198193 
1 1 1 3   10 7  o 92.95081 0.8052742 0.000000   0.000000 ?         ?        4427.500   76.70000 ?        ?         92.95081 0.8052742 0.000000       0.8052742 
1 1 1 3   10 8  o 63.75346 0.6184139 0.000000   0.000000 ?         ?        2082.700   40.40000 ?        ?         63.75346 0.6184139 0.000000       0.6184139 
1 1 1 3   10 9  f 146.0259 1.406772  0.000000   0.000000 ?         ?        10932.00   210.5000 ?        ?         146.0259 1.406772  0.000000       1.406772  
1 1 1 3   10 10 o 69.88348 0.4773241 2502.359   34.18112 2261.900  84.50000 2665.700   57.40000 66.42683 1.241409  72.12383 0.7766668 -5.696999      1.464345  
1 1 1 3   10 11 o 80.42038 0.5383861 3313.924   44.36683 3079.500  112.4000 3466.800   73.30000 77.50170 1.415327  82.24804 0.8697212 -4.746338      1.661194  
1 1 1 3   10 12 o 45.12823 0.4031784 1043.493   18.64421 1066.400  43.20000 1026.100   32.80000 45.61546 0.9242156 44.74788 0.7153244 0.8675842      1.168702  
1 1 1 3   10 13 f 63.64550 0.4999812 2075.595   32.60767 2380.400  83.50000 1880.300   53.50000 68.14436 1.195799  60.57199 0.8619530 7.572376       1.474075  
1 1 1 3   10 14 o 81.91905 0.5945681 3438.711   49.90969 3459.200  119.9000 3424.100   85.50000 82.13696 1.424565  81.73429 1.020854  0.4026718      1.752577  
1 1 1 3   10 15 o 116.2214 0.8093176 6922.337   96.38367 6595.700  214.4000 7189.100   175.1000 113.3849 1.845319  118.4063 1.443155  -5.021469      2.342626  
1 1 1 3   10 16 o 132.6027 0.9116410 9012.168   123.8724 8991.900  284.5000 9027.800   219.4000 132.3513 2.097760  132.6667 1.613899  -0.3154297     2.646746  
1 1 1 3   10 17 o 66.06796 0.5154830 2236.693   34.89825 2268.200  82.10000 2213.400   60.70000 66.51243 1.204597  65.71427 0.9014271 0.7981567      1.504535  
1 1 1 3   10 18 o 93.09512 0.6750641 4441.500   64.39769 4520.400  151.7000 4383.300   111.9000 93.86659 1.577162  92.45959 1.181081  1.407005       1.970379  
1 1 1 3   10 19 o 108.2389 0.9140323 6005.657   101.3779 5926.300  193.7000 6092.800   212.7000 107.4461 1.759303  108.9269 1.905610  -1.480797      2.593549  
1 1 1 3   10 20 o 88.29348 0.7885416 3995.950   71.34304 4069.200  136.3000 3915.500   149.7000 89.04749 1.493743  87.33176 1.672828  1.715721       2.242682  
1 1 1 3   10 21 o 81.82487 0.7239935 3431.883   60.70415 3777.700  125.7000 3108.900   117.4000 85.79315 1.429830  77.82510 1.472143  7.968056       2.052223  
1 1 1 3   10 22 o 98.65604 0.7343326 4989.523   74.23605 5174.600  126.0000 4724.100   180.7000 100.4191 1.224492  95.85461 1.839699  4.564445       2.209949  
1 1 1 3   10 23 o 21.26234 0.7677514 232.1000   16.70000 232.1000  16.70000 ?          ?        21.26234 0.7677514 ?        ?         0.000000       0.7677514 
1 1 1 3   10 24 o 75.53978 1.003799  2928.000   77.70000 2928.000  77.70000 ?          ?        75.53978 1.003799  ?        ?         0.000000       1.003799  
1 1 1 3   10 25 o 17.97599 0.8274059 166.1000   15.20000 166.1000  15.20000 ?          ?        17.97599 0.8274059 ?        ?         0.000000       0.8274059 
1 1 1 3   11 0  o 95.30933 0.8437104 0.000000   0.000000 ?         ?        4655.200   82.40000 ?        ?         95.30933 0.8437104 0.000000       0.8437104 
1 1 1 3   11 1  f 102.4318 0.8860326 0.000000   0.000000 ?         ?        5377.100   93.00000 ?        ?         102.4318 0.8860326 0.000000       0.8860326 
1 1 1 3   11 2  o 42.04011 0.5339070 0.000000   0.000000 ?         ?        905.6000   23.00000 ?        ?         42.04011 0.5339070 0.000000       0.5339070 
1 1 1 3   11 3  f 86.32166 0.7687599 0.000000   0.000000 ?         ?        3818.500   68.00000 ?        ?         86.32166 0.7687599 0.000000       0.7687599 
1 1 1 3   11 4  o 146.5977 1.197583  0.000000   0.000000 ?         ?        11016.20   179.9000 ?        ?         146.5977 1.197583  0.000000       1.197583  
1 1 1 3   11 5  o 44.62957 0.5313555 0.000000   0.000000 ?         ?        1020.600   24.30000 ?        ?         44.62957 0.5313555 0.000000       0.5313555 
1 1 1 3   11 6  o 220.0293 1.757701  0.000000   0.000000 ?         ?        24830.80   396.3000 ?        ?         220.0293 1.757701  0.000000       1.757701  
1 1 1 3   11 7  o 160.3917 1.313628  0.000000   0.000000 ?         ?        13188.50   215.9000 ?        ?         160.3917 1.313628  0.000000       1.313628  
1 1 1 3   11 8  o 54.47894 0.5463524 0.000000   0.000000 ?         ?        1520.800   30.50000 ?        ?         54.47894 0.5463524 0.000000       0.5463524 
1 1 1 3   11 9  o 129.3589 1.073520  0.000000   0.000000 ?         ?        8577.200   142.3000 ?        ?         129.3589 1.073520  0.000000       1.073520  
1 1 1 3   11 10 o 21.52476 0.6035926 0.000000   0.000000 ?         ?        237.6000   13.30000 ?        ?         21.52476 0.6035926 0.000000       0.6035926 
1 1 1 3   11 11 o 107.4652 1.086996  0.000000   0.000000 ?         ?        5919.800   119.7000 ?        ?         107.4652 1.086996  0.000000       1.086996  
1 1 1 3   11 12 o 68.36553 0.4845933 2394.886   33.94790 2074.400  78.70000 2638.000   59.70000 63.61087 1.207383  71.74541 0.8120483 -8.134533      1.455059  
1 1 1 3   11 13 o 90.82751 0.5843174 4227.363   54.38319 4214.400  142.1000 4235.400   88.10000 90.64764 1.529816  90.90257 0.9458045 -0.2549210     1.798578  
1 1 1 3   11 14 o 58.62984 0.4145896 1761.337   24.90781 1561.400  56.90000 1917.000   44.30000 55.19054 1.006119  61.16084 0.7068576 -5.970303      1.229603  
1 1 1 3   11 15 o 89.18422 0.6437680 4076.076   58.83229 3952.500  133.0000 4174.100   105.5000 87.77962 1.478630  90.22845 1.141065  -2.448830      1.867720  
1 1 1 3   11 16 o 49.70041 0.5234726 1265.783   26.65952 1257.600  47.60000 1276.200   60.60000 49.53059 0.9378536 49.88773 1.185442  -0.3571434     1.511570  
1 1 1 3   11 17 o 58.74324 0.5839434 1768.420   35.15014 1821.800  66.00000 1707.600   75.20000 59.60637 1.080570  57.69904 1.271894  1.907333       1.668936  
1 1 1 3   11 18 o 162.8249 1.324520  13601.98   220.9926 13825.10  436.7000 13373.40   447.4000 163.8363 2.601205  161.1016 2.710178  2.734756       3.756505  
1 1 1 3   11 19 o 31.89672 0.4468689 521.3616   14.60577 514.4000  26.80000 529.7000   32.10000 31.66533 0.8266544 32.12500 0.9762652 -0.4596729     1.279239  
1 1 1 3   11 20 o 60.16430 0.6179227 1855.357   38.09530 1944.200  71.00000 1752.500   82.20000 61.55814 1.125575  58.42482 1.373017  3.133320       1.775414  
1 1 1 3   11 21 o 74.14452 1.291194  2822.700   98.10000 2822.700  98.10000 ?          ?        74.14452 1.291194  ?        ?         0.000000       1.291194  
1 1 1 3   11 22 o 7.180781 1.754708  27.60000   12.80000 27.60000  12.80000 ?          ?        7.180781 1.754708  ?        ?         0.000000       1.754708  
1 1 1 3   11 23 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 3   12 0  o 46.48019 0.5122991 0.000000   0.000000 ?         ?        1107.000   24.40000 ?        ?         46.48019 0.5122991 0.000000       0.5122991 
1 1 1 3   12 1  o 87.76461 0.7883670 0.000000   0.000000 ?         ?        3947.400   70.90000 ?        ?         87.76461 0.7883670 0.000000       0.7883670 
1 1 1 3   12 2  o 112.6152 0.9679608 0.000000   0.000000 ?         ?        6500.100   111.7000 ?        ?         112.6152 0.9679608 0.000000       0.9679608 
1 1 1 3   12 3  o 80.35262 0.7238487 0.000000   0.000000 ?         ?        3308.700   59.60000 ?        ?         80.35262 0.7238487 0.000000       0.7238487 
1 1 1 3   12 4  o 134.7006 1.122959  0.000000   0.000000 ?         ?        9300.900   155.0000 ?        ?         134.7006 1.122959  0.000000       1.122959  
1 1 1 3   12 5  o 30.25073 0.4774495 0.000000   0.000000 ?         ?        468.9000   14.80000 ?        ?         30.25073 0.4774495 0.000000       0.4774495 
1 1 1 3   12 6  o 94.95260 0.8355748 0.000000   0.000000 ?         ?        4620.700   81.30000 ?        ?         94.95260 0.8355748 0.000000       0.8355748 
1 1 1 3   12 7  o 42.48127 0.6753851 0.000000   0.000000 ?         ?        924.8000   29.40000 ?        ?         42.48127 0.6753851 0.000000       0.6753851 
1 1 1 3   12 8  o 147.4392 1.207957  0.000000   0.000000 ?         ?        11144.90   182.5000 ?        ?         147.4392 1.207957  0.000000       1.207957  
1 1 1 3   12 9  o 55.70889 0.5500558 0.000000   0.000000 ?         ?        1590.300   31.40000 ?        ?         55.70889 0.5500558 0.000000       0.5500558 
1 1 1 3   12 10 o 119.6408 0.9918725 0.000000   0.000000 ?         ?        7337.400   121.6000 ?        ?         119.6408 0.9918725 0.000000       0.9918725 
1 1 1 3   12 11 o 109.2742 0.9430786 0.000000   0.000000 ?         ?        6120.900   105.6000 ?        ?         109.2742 0.9430786 0.000000       0.9430786 
1 1 1 3   12 12 o 44.17030 0.5744399 0.000000   0.000000 ?         ?        999.8000   26.00000 ?        ?         44.17030 0.5744399 0.000000       0.5744399 
1 1 1 3   12 13 f 31.16538 0.7170752 0.000000   0.000000 ?         ?        497.8000   22.90000 ?        ?         31.16538 0.7170752 0.000000       0.7170752 
1 1 1 3   12 14 o 82.95181 1.074105  0.000000   0.000000 ?         ?        3528.400   91.30000 ?        ?         82.95181 1.074105  0.000000       1.074105  
1 1 1 3   12 15 o 37.55260 0.3749632 722.5981   14.42869 839.5000  35.10000 641.0000   24.50000 40.46715 0.8464594 35.36437 0.6760857 5.102776       1.083321  
1 1 1 3   12 16 f 93.70575 0.6817034 4500.727   65.45760 4557.600  150.4000 4456.900   115.9000 94.21272 1.557901  93.20609 1.213503  1.006630       1.974752  
1 1 1 3   12 17 o 68.62801 0.5217406 2413.764   36.69056 2258.200  78.10000 2551.600   69.20000 66.34335 1.148829  70.53651 0.9574006 -4.193161      1.495468  
1 1 1 3   12 18 f 89.40936 0.7537552 4098.646   69.05762 4005.100  131.2000 4202.600   145.8000 88.29919 1.450036  90.42922 1.573441  -2.130035      2.139701  
1 1 1 3   12 19 o 38.22433 0.8093215 749.3000   31.70000 749.3000  31.70000 ?          ?        38.22433 0.8093215 ?        ?         0.000000       0.8093215 
1 1 1 3   12 20 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 3   12 21 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 3   13 0  o 101.3121 0.8861927 0.000000   0.000000 ?         ?        5260.900   92.00000 ?        ?         101.3121 0.8861927 0.000000       0.8861927 
1 1 1 3   13 1  o 119.6310 1.006638  0.000000   0.000000 ?         ?        7336.300   123.4000 ?        ?         119.6310 1.006638  0.000000       1.006638  
1 1 1 3   13 2  o 31.46467 0.4745368 0.000000   0.000000 ?         ?        507.3000   15.30000 ?        ?         31.46467 0.4745368 0.000000       0.4745368 
1 1 1 3   13 3  o 70.73943 0.6428742 0.000000   0.000000 ?         ?        2564.400   46.60000 ?        ?         70.73943 0.6428742 0.000000       0.6428742 
1 1 1 3   13 4  f 54.30533 0.5391137 0.000000   0.000000 ?         ?        1511.200   30.00000 ?        ?         54.30533 0.5391137 0.000000       0.5391137 
1 1 1 3   13 5  o 63.28011 0.6245820 0.000000   0.000000 ?         ?        2052.100   40.50000 ?        ?         63.28011 0.6245820 0.000000       0.6245820 
1 1 1 3   13 6  o 73.47045 0.6867196 0.000000   0.000000 ?         ?        2766.400   51.70000 ?        ?         73.47045 0.6867196 0.000000       0.6867196 
1 1 1 3   13 7  o 13.58669 0.8591413 0.000000   0.000000 ?         ?        95.00000   11.90000 ?        ?         13.58669 0.8591413 0.000000       0.8591413 
1 1 1 3   13 8  o 40.84642 0.5662340 0.000000   0.000000 ?         ?        855.0000   23.70000 ?        ?         40.84642 0.5662340 0.000000       0.5662340 
1 1 1 3   13 9  o 28.50588 1.042492  0.000000   0.000000 ?         ?        417.2000   30.40000 ?        ?         28.50588 1.042492  0.000000       1.042492  
1 1 1 3   13 10 o 149.6910 1.771314  0.000000   0.000000 ?         ?        11507.70   271.7000 ?        ?         149.6910 1.771314  0.000000       1.771314  
1 1 1 3   13 11 o 15.42901 1.095023  0.000000   0.000000 ?         ?        122.7000   17.20000 ?        ?         15.42901 1.095023  0.000000       1.095023  
1 1 1 3   13 12 o 26.46944 0.7972710 0.000000   0.000000 ?         ?        359.5000   21.60000 ?        ?         26.46944 0.7972710 0.000000       0.7972710 
1 1 1 3   13 13 o 72.48048 0.9626903 0.000000   0.000000 ?         ?        2694.100   71.50000 ?        ?         72.48048 0.9626903 0.000000       0.9626903 
1 1 1 3   13 14 o 69.21288 0.9108508 0.000000   0.000000 ?         ?        2456.700   64.60000 ?        ?         69.21288 0.9108508 0.000000       0.9108508 
1 1 1 3   13 15 o 103.4286 1.253966  0.000000   0.000000 ?         ?        5492.200   132.9000 ?        ?         103.4286 1.253966  0.000000       1.253966  
1 1 1 3   13 16 o 61.71001 0.8919184 0.000000   0.000000 ?         ?        1953.400   56.40000 ?        ?         61.71001 0.8919184 0.000000       0.8919184 
1 1 1 3   13 17 o 36.58531 1.076148  0.000000   0.000000 ?         ?        687.7000   40.30000 ?        ?         36.58531 1.076148  0.000000       1.076148  
1 1 1 3   13 18 o 35.65082 1.107236  0.000000   0.000000 ?         ?        653.3000   40.40000 ?        ?         35.65082 1.107236  0.000000       1.107236  
1 1 1 3   14 0  o 111.7512 0.9457530 0.000000   0.000000 ?         ?        6402.800   108.3000 ?        ?         111.7512 0.9457530 0.000000       0.9457530 
1 1 1 3   14 1  o 25.48250 0.7206987 0.000000   0.000000 ?         ?        333.1000   18.80000 ?        ?         25.48250 0.7206987 0.000000       0.7206987 
1 1 1 3   14 2  o 11.05744 1.081726  0.000000   0.000000 ?         ?        63.30000   12.10000 ?        ?         11.05744 1.081726  0.000000       1.081726  
1 1 1 3   14 3  o 12.22649 1.888615  0.000000   0.000000 ?         ?        78.60000   22.90000 ?        ?         12.22649 1.888615  0.000000       1.888615  
1 1 1 3   14 4  o 58.52906 0.8470203 0.000000   0.000000 ?         ?        1756.200   50.80000 ?        ?         58.52906 0.8470203 0.000000       0.8470203 
1 1 1 3   14 5  o 56.08656 0.7951682 0.000000   0.000000 ?         ?        1612.600   45.70000 ?        ?         56.08656 0.7951682 0.000000       0.7951682 
1 1 1 3   14 6  o 32.28352 0.6589876 0.000000   0.000000 ?         ?        534.2000   21.80000 ?        ?         32.28352 0.6589876 0.000000       0.6589876 
1 1 1 3   14 7  o 76.24761 1.020079  0.000000   0.000000 ?         ?        2981.700   79.70000 ?        ?         76.24761 1.020079  0.000000       1.020079  
1 1 1 3   14 8  o 53.43876 0.7962175 0.000000   0.000000 ?         ?        1464.100   43.60000 ?        ?         53.43876 0.7962175 0.000000       0.7962175 
1 1 1 3   14 9  o 72.68977 0.9894544 0.000000   0.000000 ?         ?        2710.200   73.70000 ?        ?         72.68977 0.9894544 0.000000       0.9894544 
1 1 1 3   14 10 o 28.54951 0.7560974 0.000000   0.000000 ?         ?        418.2000   22.10000 ?        ?         28.54951 0.7560974 0.000000       0.7560974 
1 1 1 3   14 11 o 25.66681 0.7612722 0.000000   0.000000 ?         ?        338.1000   20.00000 ?        ?         25.66681 0.7612722 0.000000       0.7612722 
1 1 1 3   14 12 o 38.77866 0.7323217 0.000000   0.000000 ?         ?        771.1000   29.10000 ?        ?         38.77866 0.7323217 0.000000       0.7323217 
1 1 1 3   14 13 o 42.30955 0.8165194 0.000000   0.000000 ?         ?        918.2000   35.40000 ?        ?         42.30955 0.8165194 0.000000       0.8165194 
1 1 1 3   14 14 o 28.86526 1.002253  0.000000   0.000000 ?         ?        428.2000   29.60000 ?        ?         28.86526 1.002253  0.000000       1.002253  
1 1 1 3   14 15 o 58.37392 1.303999  0.000000   0.000000 ?         ?        1751.800   78.00000 ?        ?         58.37392 1.303999  0.000000       1.303999  
1 1 1 3   15 0  f 35.13216 0.7861097 0.000000   0.000000 ?         ?        632.9000   28.30000 ?        ?         35.13216 0.7861097 0.000000       0.7861097 
1 1 1 3   15 1  o 57.06916 0.8481678 0.000000   0.000000 ?         ?        1670.300   49.60000 ?        ?         57.06916 0.8481678 0.000000       0.8481678 
1 1 1 3   15 2  o 74.03987 0.9516411 0.000000   0.000000 ?         ?        2812.200   72.20000 ?        ?         74.03987 0.9516411 0.000000       0.9516411 
1 1 1 3   15 3  o 13.87580 1.331501  0.000000   0.000000 ?         ?        99.80000   18.70000 ?        ?         13.87580 1.331501  0.000000       1.331501  
1 1 1 3   15 4  o 20.89562 0.9693974 0.000000   0.000000 ?         ?        224.5000   20.70000 ?        ?         20.89562 0.9693974 0.000000       0.9693974 
1 1 1 3   15 5  o 65.28360 0.9043840 0.000000   0.000000 ?         ?        2186.400   60.50000 ?        ?         65.28360 0.9043840 0.000000       0.9043840 
1 1 1 3   15 6  o 29.41024 0.6802318 0.000000   0.000000 ?         ?        443.5000   20.50000 ?        ?         29.41024 0.6802318 0.000000       0.6802318 
1 1 1 3   15 7  o 44.18333 0.7598041 0.000000   0.000000 ?         ?        1001.200   34.40000 ?        ?         44.18333 0.7598041 0.000000       0.7598041 
1 1 1 3   15 8  f 43.54517 0.7037060 0.000000   0.000000 ?         ?        972.4000   31.40000 ?        ?         43.54517 0.7037060 0.000000       0.7037060 
1 1 1 3   15 9  o 22.38092 0.8079950 0.000000   0.000000 ?         ?        257.3000   18.50000 ?        ?         22.38092 0.8079950 0.000000       0.8079950 
1 1 1 3   15 10 o 14.95440 1.110789  0.000000   0.000000 ?         ?        115.5000   16.90000 ?        ?         14.95440 1.110789  0.000000       1.110789  
1 1 1 3   15 11 o 7.636008 2.503274  0.000000   0.000000 ?         ?        29.10000   22.60000 ?        ?         7.636008 2.503274  0.000000       2.503274  
1 1 1 3   16 0  o 17.60704 1.001806  0.000000   0.000000 ?         ?        159.7000   18.00000 ?        ?         17.60704 1.001806  0.000000       1.001806  
1 1 1 3   16 1  o 34.85485 0.6887689 0.000000   0.000000 ?         ?        623.1000   24.60000 ?        ?         34.85485 0.6887689 0.000000       0.6887689 
1 1 1 3   16 2  o 26.57666 0.6798760 0.000000   0.000000 ?         ?        362.5000   18.50000 ?        ?         26.57666 0.6798760 0.000000       0.6798760 
1 1 1 3   16 3  o 26.33560 0.6558911 0.000000   0.000000 ?         ?        355.7000   17.70000 ?        ?         26.33560 0.6558911 0.000000       0.6558911 
1 1 1 3   16 4  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 4   0  0  o 132.8131 2.216035  9047.100   301.4000 9047.100  301.4000 9047.100   301.4000 132.8131 2.216035  132.8131 2.216035  0.000000       0.000000  
1 1 1 4   0  1  o 298.0900 4.688099  45608.70   1431.200 45608.70  1431.200 45608.70   1431.200 298.0900 4.688099  298.0900 4.688099  0.000000       0.000000  
1 1 1 4   0  2  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 4   0  3  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 4   0  4  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 4   0  5  f 40.95981 0.6245578 860.2000   26.20000 860.2000  26.20000 860.2000   26.20000 40.95981 0.6245578 40.95981 0.6245578 0.000000       0.000000  
1 1 1 4   0  6  o 297.7378 3.331726  45470.50   1016.200 45470.50  1016.200 45470.50   1016.200 297.7378 3.331726  297.7378 3.331726  0.000000       0.000000  
1 1 1 4   0  7  o 183.7985 2.146258  17319.80   404.1000 17319.80  404.1000 17319.80   404.1000 183.7985 2.146258  183.7985 2.146258  0.000000       0.000000  
1 1 1 4   0  8  o 376.0264 4.201114  72527.60   1618.300 72527.60  1618.300 72527.60   1618.300 376.0264 4.201114  376.0264 4.201114  0.000000       0.000000  
1 1 1 4   0  9  o 159.9687 1.925341  13118.50   315.5000 13118.50  315.5000 13118.50   315.5000 159.9687 1.925341  159.9687 1.925341  0.000000       0.000000  
1 1 1 4   0  10 o 148.6550 1.847980  11328.60   281.4000 11328.60  281.4000 11328.60   281.4000 148.6550 1.847980  148.6550 1.847980  0.000000       0.000000  
1 1 1 4   0  11 o 88.18703 1.215585  3987.000   109.8000 3987.000  109.8000 3987.000   109.8000 88.18703 1.215585  88.18703 1.215585  0.000000       0.000000  
1 1 1 4   0  12 o 219.4706 2.557116  24694.30   574.9000 24694.30  574.9000 24694.30   574.9000 219.4706 2.557116  219.4706 2.557116  0.000000       0.000000  
1 1 1 4   0  13 o 90.98226 1.230800  4243.700   114.7000 4243.700  114.7000 4243.700   114.7000 90.98226 1.230800  90.98226 1.230800  0.000000       0.000000  
1 1 1 4   0  14 o 125.3647 1.572232  8056.900   201.9000 8056.900  201.9000 8056.900   201.9000 125.3647 1.572232  125.3647 1.572232  0.000000       0.000000  
1 1 1 4   0  15 o 377.9972 4.233189  73295.50   1639.200 73295.50  1639.200 73295.50   1639.200 377.9972 4.233189  377.9972 4.233189  0.000000       0.000000  
1 1 1 4   0  16 o 87.76659 1.180225  3949.100   106.1000 3949.100  106.1000 3949.100   106.1000 87.76659 1.180225  87.76659 1.180225  0.000000       0.000000  
1 1 1 4   0  17 o 68.74109 0.9857028 2422.700   69.40000 2422.700  69.40000 2422.700   69.40000 68.74109 0.9857028 68.74109 0.9857028 0.000000       0.000000  
1 1 1 4   0  18 o 181.6776 2.182637  16925.70   406.2000 16925.70  406.2000 16925.70   406.2000 181.6776 2.182637  181.6776 2.182637  0.000000       0.000000  
1 1 1 4   0  19 f 74.66537 1.034300  2858.300   79.10000 2858.300  79.10000 2858.300   79.10000 74.66537 1.034300  74.66537 1.034300  0.000000       0.000000  
1 1 1 4   0  20 o 142.2512 1.749297  10376.20   254.9000 10376.20  254.9000 10376.20   254.9000 142.2512 1.749297  142.2512 1.749297  0.000000       0.000000  
1 1 1 4   0  21 o 93.38171 1.306897  4471.400   125.0000 4471.400  125.0000 4471.400   125.0000 93.38171 1.306897  93.38171 1.306897  0.000000       0.000000  
1 1 1 4   0  22 o 47.15993 0.8760056 1140.800   42.30000 1140.800  42.30000 1140.800   42.30000 47.15993 0.8760056 47.15993 0.8760056 0.000000       0.000000  
1 1 1 4   0  23 o 77.35371 1.098088  3068.100   87.00000 3068.100  87.00000 3068.100   87.00000 77.35371 1.098088  77.35371 1.098088  0.000000       0.000000  
1 1 1 4   0  24 f 120.8595 1.576765  7490.700   195.2000 7490.700  195.2000 7490.700   195.2000 120.8595 1.576765  120.8595 1.576765  0.000000       0.000000  
1 1 1 4   0  25 o 189.3423 2.273187  18393.20   440.9000 18393.20  440.9000 18393.20   440.9000 189.3423 2.273187  189.3423 2.273187  0.000000       0.000000  
1 1 1 4   0  26 o 21.40675 0.8003337 235.8000   17.50000 235.8000  17.50000 235.8000   17.50000 21.40675 0.8003337 21.40675 0.8003337 0.000000       0.000000  
1 1 1 4   0  27 f 33.32143 0.8182276 570.0000   27.90000 570.0000  27.90000 570.0000   27.90000 33.32143 0.8182276 33.32143 0.8182276 0.000000       0.000000  
1 1 1 4   0  28 o 57.78039 0.9497780 1712.400   56.20000 1712.400  56.20000 1712.400   56.20000 57.78039 0.9497780 57.78039 0.9497780 0.000000       0.000000  
1 1 1 4   0  29 o 25.18604 0.8820202 326.3000   22.70000 326.3000  22.70000 326.3000   22.70000 25.18604 0.8820202 25.18604 0.8820202 0.000000       0.000000  
1 1 1 4   0  30 o 68.46797 1.012480  2404.700   71.00000 2404.700  71.00000 2404.700   71.00000 68.46797 1.012480  68.46797 1.012480  0.000000       0.000000  
1 1 1 4   0  31 o 20.07790 0.9033731 207.9000   18.50000 207.9000  18.50000 207.9000   18.50000 20.07790 0.9033731 20.07790 0.9033731 0.000000       0.000000  
1 1 1 4   1  0  o 371.1273 2.891826  70626.00   1099.749 70426.30  2218.000 70822.40   2181.300 370.1412 5.847843  371.2041 5.734615  -1.062866      8.190427  
1 1 1 4   1  1  f 357.5844 2.303555  65548.83   844.0643 64990.90  1437.800 66342.00   2044.000 355.8703 3.942833  359.2658 5.552220  -3.395508      6.809779  
1 1 1 4   1  2  o 60.92971 0.7671990 1902.200   47.90000 1902.200  47.90000 ?          ?        60.92971 0.7671990 ?        ?         0.000000       0.7671990 
1 1 1 4   1  3  o 95.28191 1.159411  4652.300   113.2000 4652.300  113.2000 ?          ?        95.28191 1.159411  ?        ?         0.000000       1.159411  
1 1 1 4   1  4  o 241.7616 1.903029  29962.03   471.4452 29738.40  927.5000 30193.20   958.8000 240.6740 3.760853  242.4943 3.858585  -1.820282      5.388200  
1 1 1 4   1  5  o 95.30090 0.6822864 4653.630   66.62881 4393.200  109.7000 5056.500   169.7000 92.58997 1.156230  99.32368 1.667365  -6.733704      2.029033  
1 1 1 4   1  6  o 195.6591 1.305239  19618.48   261.6909 19173.40  441.1000 20267.70   643.4000 193.3857 2.225945  198.7623 3.158993  -5.376648      3.864462  
1 1 1 4   1  7  o 177.5129 1.205744  16147.14   219.3226 15470.70  359.9000 17202.50   561.5000 173.7306 2.021656  183.1490 2.991897  -9.418472      3.610892  
1 1 1 4   1  8  o 124.0869 0.7522180 7889.334   95.64623 7863.100  190.1000 7915.900   192.5000 123.8717 1.497654  124.2867 1.511498  -0.4149857     2.127815  
1 1 1 4   1  9  o 153.0437 0.9055437 12001.17   142.0114 11431.00  269.5000 12636.30   300.2000 149.3522 1.760957  157.0268 1.865686  -7.674622      2.565493  
1 1 1 4   1  10 o 118.1521 0.7516032 7152.645   90.99725 7162.900  183.0000 7142.500   181.0000 118.2302 1.510512  118.0619 1.496134  0.1683121      2.126044  
1 1 1 4   1  11 o 152.4774 0.9187738 11912.52   143.5531 11976.60  290.7000 11850.00   283.6000 152.8738 1.855725  152.0643 1.820038  0.8094788      2.599279  
1 1 1 4   1  12 f 148.3705 0.8986079 11279.46   136.6206 11225.10  274.8000 11333.20   271.7000 147.9996 1.811998  148.7111 1.782986  -0.7114868     2.542120  
1 1 1 4   1  13 o 306.6885 1.737529  48201.76   546.0443 49520.00  1115.000 46936.60   1070.100 310.7452 3.501645  302.5350 3.451838  8.210236       4.916981  
1 1 1 4   1  14 o 281.2267 1.604721  40529.94   462.4392 39932.50  909.3000 41148.20   941.0000 279.0577 3.179910  283.2690 3.241845  -4.211243      4.541078  
1 1 1 4   1  15 o 156.6749 0.9569958 12577.84   153.6412 12007.40  291.8000 13212.20   324.5000 153.0618 1.860458  160.5539 1.972402  -7.492081      2.711397  
1 1 1 4   1  16 o 180.7258 1.084542  16736.75   200.8468 16774.10  400.1000 16699.10   403.3000 180.8890 2.158529  180.4831 2.180686  0.4059143      3.068329  
1 1 1 4   1  17 o 95.03091 0.6296422 4627.260   61.31364 5036.000  131.6000 4270.700   114.8000 99.12977 1.295548  91.28857 1.227233  7.841194       1.784529  
1 1 1 4   1  18 o 57.30591 0.4678634 1682.616   27.47369 1819.300  58.00000 1559.600   52.20000 59.58424 0.9499446 55.16807 0.9233882 4.416164       1.324779  
1 1 1 4   1  19 o 115.5284 0.7329612 6839.085   86.76967 6510.200  167.7000 7191.700   179.8000 112.6964 1.452194  118.4471 1.481382  -5.750710      2.074454  
1 1 1 4   1  20 o 83.50390 0.5853149 3572.879   50.08350 3911.200  109.5000 3287.700   92.30000 87.35571 1.223276  80.09303 1.124627  7.262688       1.661683  
1 1 1 4   1  21 o 128.6759 0.8137540 8484.734   107.2973 8492.000  218.1000 8477.700   211.2000 128.6960 1.653836  128.5904 1.602829  0.1056061      2.303092  
1 1 1 4   1  22 o 98.38439 0.6639753 4959.910   66.93858 4739.900  128.1000 5200.700   140.2000 96.16096 1.300026  100.7247 1.358357  -4.563705      1.880213  
1 1 1 4   1  23 o 123.7514 0.7842659 7847.791   99.45161 7891.400  202.0000 7805.500   195.9000 124.0599 1.588992  123.3851 1.549435  0.6748047      2.219380  
1 1 1 4   1  24 o 177.2582 1.059995  16104.13   192.5345 16496.50  393.6000 15728.40   376.9000 179.3051 2.142220  175.0860 2.100760  4.219177       3.000383  
1 1 1 4   1  25 o 135.4242 0.8391343 9398.818   116.4464 9708.800  236.6000 9098.400   229.3000 137.5859 1.678195  133.1904 1.680090  4.395416       2.374667  
1 1 1 4   1  26 o 40.65358 0.3951574 846.8287   16.46142 820.8000  31.00000 876.3000   35.10000 40.02030 0.7559323 41.35017 0.8283836 -1.329865      1.121451  
1 1 1 4   1  27 o 44.12058 0.9179277 997.8000   41.50000 997.8000  41.50000 ?          ?        44.12058 0.9179277 ?        ?         0.000000       0.9179277 
1 1 1 4   1  28 o 14.05262 0.5306106 101.3399   7.626948 75.30000  13.90000 133.0000   16.90000 12.06464 1.137788  16.07318 1.031538  -4.008534      1.535784  
1 1 1 4   1  29 o 63.44793 0.4952629 2062.966   32.19969 1908.200  61.00000 2236.000   68.20000 61.00359 0.9758342 66.03404 1.007902  -5.030449      1.402896  
1 1 1 4   1  30 o 119.9762 0.7653596 7379.556   94.09338 7684.800  191.7000 7085.300   184.8000 122.3181 1.529443  117.4489 1.535517  4.869118       2.167258  
1 1 1 4   1  31 o 41.20810 0.3786000 870.1917   15.98680 1018.300  34.90000 745.0000   29.50000 44.56435 0.7642571 38.11815 0.7552519 6.446205       1.074474  
1 1 1 4   2  0  o 101.6683 0.8505369 5296.349   88.60884 5607.900  195.3000 5037.600   162.2000 104.5997 1.822104  99.14302 1.596579  5.456718       2.422628  
1 1 1 4   2  1  o 108.7008 1.868276  6056.600   208.1000 6056.600  208.1000 ?          ?        108.7008 1.868276  ?        ?         0.000000       1.868276  
1 1 1 4   2  2  o 97.59995 1.557828  4882.200   155.8000 4882.200  155.8000 ?          ?        97.59995 1.557828  ?        ?         0.000000       1.557828  
1 1 1 4   2  3  o 122.8789 1.933852  7740.400   243.5000 7740.400  243.5000 ?          ?        122.8789 1.933852  ?        ?         0.000000       1.933852  
1 1 1 4   2  4  o 82.80959 0.6877851 3513.660   58.36222 3360.500  109.4000 3688.800   125.1000 80.97713 1.318428  84.83840 1.439019  -3.861267      1.951673  
1 1 1 4   2  5  o 186.5386 1.461661  17833.25   279.3918 18291.10  575.4000 17401.10   543.1000 188.8330 2.973676  184.1886 2.877522  4.644394       4.137981  
1 1 1 4   2  6  f 184.2438 1.214629  17395.08   229.3163 17378.50  396.0000 17417.90   544.8000 184.1255 2.098857  184.2933 2.884889  -0.1678314     3.567602  
1 1 1 4   2  7  o 59.37266 0.4680298 1806.134   28.47465 2020.300  55.30000 1578.800   58.70000 62.79272 0.8594437 55.50838 1.032004  7.284344       1.343010  
1 1 1 4   2  8  o 49.69399 0.4246995 1265.266   21.62639 1230.300  36.30000 1316.800   53.50000 49.00191 0.7229283 50.69426 1.029904  -1.692356      1.258303  
1 1 1 4   2  9  o 199.4530 1.342268  20384.52   274.3330 20388.40  474.4000 20379.20   650.5000 199.4488 2.321213  199.3730 3.184070  0.7579041E-01  3.940346  
1 1 1 4   2  10 o 292.9068 1.935720  43967.64   580.9922 43482.90  980.6000 44672.40   1425.700 291.2209 3.286026  295.0676 4.715289  -3.846680      5.747340  
1 1 1 4   2  11 o 42.84392 0.3872431 940.4839   17.00088 1045.900  36.40000 848.1000   31.90000 45.18056 0.7862332 40.68465 0.7651767 4.495911       1.097113  
1 1 1 4   2  12 o 315.3420 1.789028  50960.45   578.0923 49075.40  1108.800 53013.80   1207.800 309.3530 3.497845  321.5125 3.666054  -12.15948      5.067038  
1 1 1 4   2  13 o 268.5670 1.547244  36962.03   425.8042 36539.40  845.7000 37390.60   857.6000 266.9517 3.091615  270.0426 3.099232  -3.090973      4.377593  
1 1 1 4   2  14 o 58.86889 0.4505923 1775.611   27.18116 1579.600  48.40000 2026.700   62.00000 55.52332 0.8506904 62.89161 0.9620566 -7.368286      1.284222  
1 1 1 4   2  15 o 340.4398 1.918446  59404.57   669.2499 59547.60  1337.900 59261.40   1339.100 340.6492 3.832815  339.8279 3.845525  0.8213501      5.429414  
1 1 1 4   2  16 o 138.4099 0.8574454 9816.232   121.6107 9567.100  232.4000 10089.70   255.1000 136.6240 1.660010  140.3023 1.774383  -3.678284      2.429829  
1 1 1 4   2  17 o 16.34022 0.4954223 136.9306   8.285714 122.4000  14.00000 158.0000   20.30000 15.42975 0.8892301 17.52215 1.136738  -2.092402      1.443227  
1 1 1 4   2  18 o 117.2830 0.7640861 7048.385   91.82816 6828.200  176.6000 7286.900   191.3000 115.4175 1.493209  119.2286 1.565800  -3.811050      2.163655  
1 1 1 4   2  19 o 144.2036 0.8899704 10656.18   131.5073 10743.70  260.0000 10566.60   266.1000 144.7557 1.752828  143.5543 1.808965  1.201416       2.518881  
1 1 1 4   2  20 o 118.6409 0.7549081 7212.719   91.77549 7230.200  186.6000 7195.800   180.6000 118.7580 1.533382  118.4772 1.487595  0.2807922      2.136399  
1 1 1 4   2  21 o 54.01297 0.4512049 1494.818   24.97297 1507.800  49.50000 1481.600   50.40000 54.24271 0.8905647 53.76905 0.9147444 0.4736557      1.276661  
1 1 1 4   2  22 o 63.81086 0.4768032 2086.343   31.17684 2059.300  60.70000 2114.900   64.10000 63.39016 0.9344767 64.23952 0.9737721 -0.8493690     1.349622  
1 1 1 4   2  23 o 85.41718 0.5789305 3738.547   50.67223 3684.400  100.6000 3793.500   102.1000 84.78346 1.157946  86.02958 1.158189  -1.246117      1.637755  
1 1 1 4   2  24 o 125.9206 0.7886657 8125.516   101.7626 8274.400  201.3000 7973.300   205.8000 127.0320 1.546437  124.6951 1.610636  2.336876       2.232850  
1 1 1 4   2  25 o 118.1958 0.7389618 7159.197   89.49989 7155.200  178.8000 7163.200   179.2000 118.1255 1.477153  118.1914 1.479633  -0.6584930E-01 2.090764  
1 1 1 4   2  26 o 136.5442 0.8444949 9555.544   118.1595 9345.600  227.8000 9781.800   245.5000 134.9748 1.647035  138.0795 1.735098  -3.104706      2.392339  
1 1 1 4   2  27 o 105.8018 0.6878408 5736.779   74.57258 5714.000  150.0000 5759.300   148.3000 105.5490 1.386879  105.9683 1.365736  -0.4192734     1.946450  
1 1 1 4   2  28 o 20.65269 0.4018265 218.5595   8.503813 189.2000  16.20000 251.0000   17.90000 19.19440 0.8255793 22.11477 0.7911751 -2.920370      1.143477  
1 1 1 4   2  29 o 14.51808 0.5628975 108.1836   8.358209 131.9000  17.50000 86.50000   16.00000 16.00085 1.073537  12.92739 1.222361  3.073463       1.626852  
1 1 1 4   2  30 o 98.03437 0.6378266 4926.347   64.07364 5125.200  130.8000 4735.400   125.6000 99.92420 1.277435  96.04934 1.276136  3.874863       1.805647  
1 1 1 4   2  31 f 27.27205 0.3649839 381.1382   10.19975 393.8000  20.50000 368.6000   20.30000 27.70460 0.7227275 26.80197 0.7398550 0.9026318      1.034273  
1 1 1 4   3  0  o 189.1747 1.263395  18339.98   244.9067 18895.50  627.2000 17984.10   401.8000 191.8947 3.189663  187.2910 2.093604  4.603622       3.815380  
1 1 1 4   3  1  o 189.2122 1.564253  18349.62   303.2875 18299.00  602.7000 18400.90   610.5000 188.8476 3.114521  189.3699 3.146128  -0.5222321     4.427004  
1 1 1 4   3  2  o 104.7184 1.423973  0.000000   0.000000 ?         ?        5620.100   152.8000 ?        ?         104.7184 1.423973  0.000000       1.423973  
1 1 1 4   3  3  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 4   3  4  o 101.1429 1.570800  5242.900   162.8000 5242.900  162.8000 ?          ?        101.1429 1.570800  ?        ?         0.000000       1.570800  
1 1 1 4   3  5  o 229.7531 1.763228  27053.97   415.1147 27452.70  842.3000 26666.50   818.5000 231.3260 3.553399  227.9937 3.503462  3.332306       4.990079  
1 1 1 4   3  6  o 168.1469 1.125515  14487.49   193.9272 14333.00  334.9000 14700.00   460.7000 167.2298 1.954354  169.3338 2.655071  -2.104095      3.296801  
1 1 1 4   3  7  o 139.6400 0.9412416 9991.155   134.6819 9872.300  230.8000 10157.70   323.4000 138.7982 1.622758  140.7780 2.241852  -1.979828      2.767534  
1 1 1 4   3  8  o 107.7658 0.7577792 5950.410   83.68009 5604.300  136.6000 6497.700   216.0000 104.5811 1.274673  112.6019 1.872016  -8.020782      2.264782  
1 1 1 4   3  9  o 299.9130 1.954845  46096.50   600.7671 46844.20  1051.900 45100.80   1400.800 302.2592 3.396226  296.4868 4.610760  5.772400       5.726558  
1 1 1 4   3  10 o 28.95918 0.3580486 429.6795   10.62494 505.8000  21.20000 353.2000   21.30000 31.41946 0.6584743 26.24331 0.7929780 5.176149       1.030729  
1 1 1 4   3  11 o 55.10627 0.4632106 1555.884   26.15640 1458.900  42.20000 1714.000   68.80000 53.36042 0.7717824 57.83624 1.160887  -4.475819      1.394026  
1 1 1 4   3  12 o 209.9411 1.417191  22585.60   304.8767 22396.80  516.5000 22857.60   744.1000 209.0307 2.411359  211.1205 3.439558  -2.089752      4.200620  
1 1 1 4   3  13 o 216.4925 1.484122  24018.01   329.2387 25120.80  583.3000 22588.90   755.9000 221.3645 2.571494  209.8605 3.515080  11.50400       4.355269  
1 1 1 4   3  14 o 117.6934 0.7512598 7097.368   90.60260 7123.500  178.4000 7070.400   184.1000 117.9003 1.476664  117.4591 1.529568  0.4411926      2.126056  
1 1 1 4   3  15 o 225.2668 1.306185  26004.88   301.5091 27066.50  617.5000 24991.90   589.2000 229.7454 2.622960  220.7664 2.604542  8.978989       3.696425  
1 1 1 4   3  16 o 146.1045 0.8951008 10938.25   134.0090 10689.10  259.6000 11204.10   277.0000 144.4062 1.754368  147.8410 1.828464  -3.434860      2.533986  
1 1 1 4   3  17 o 201.0969 1.178335  20724.84   242.8133 20009.70  470.2000 21488.50   502.1000 197.5234 2.323089  204.6859 2.393889  -7.162491      3.335783  
1 1 1 4   3  18 f 113.1223 0.7352423 6557.186   85.22701 6520.400  167.7000 6595.200   173.3000 112.7849 1.451054  113.4285 1.491001  -0.6436005     2.080539  
1 1 1 4   3  19 o 119.0134 0.7780794 7258.129   94.88947 7428.000  191.8000 7091.800   187.8000 120.3711 1.554991  117.6154 1.558235  2.755753       2.201385  
1 1 1 4   3  20 o 167.7342 1.002358  14418.70   172.2832 13960.70  326.7000 14929.70   364.5000 164.9897 1.932386  170.6059 2.084996  -5.616135      2.842767  
1 1 1 4   3  21 o 78.79800 0.5516747 3181.525   44.54476 3499.400  97.10000 2912.100   82.30000 82.62920 1.146799  75.37905 1.065493  7.250145       1.565383  
1 1 1 4   3  22 o 85.27614 0.5905048 3726.215   51.59996 3711.300  103.3000 3741.100   103.1000 85.09211 1.184712  85.43327 1.177696  -0.3411560     1.670482  
1 1 1 4   3  23 o 129.7949 0.8281789 8633.320   110.1489 8530.300  219.6000 8737.000   221.0000 128.9758 1.661597  130.5297 1.652283  -1.553925      2.343277  
1 1 1 4   3  24 o 69.36074 0.5351364 2465.131   38.03440 2341.200  72.10000 2603.500   80.50000 67.58519 1.041083  71.26905 1.102292  -3.683861      1.516213  
1 1 1 4   3  25 o 109.8156 0.7300362 6180.081   82.14988 5836.700  164.1000 6524.300   164.5000 106.6826 1.501125  112.7970 1.423213  -6.114426      2.068553  
1 1 1 4   3  26 o 195.8512 1.163833  19665.69   233.5691 19857.60  469.5000 19475.70   464.8000 196.6085 2.330424  194.7089 2.329603  1.899567       3.295137  
1 1 1 4   3  27 o 15.15533 0.4735163 117.8099   7.344558 127.1000  14.30000 108.0000   15.10000 15.72132 0.8913157 14.47799 1.024434  1.243326       1.357906  
1 1 1 4   3  28 o 53.64052 0.4329805 1474.401   23.79906 1482.500  47.30000 1466.200   47.90000 53.77652 0.8583612 53.47952 0.8740770 0.2970009      1.225069  
1 1 1 4   3  29 o 32.80677 0.3635297 551.5079   12.22086 531.7000  24.90000 570.6000   24.00000 32.20531 0.7545246 33.36387 0.7019989 -1.158558      1.030587  
1 1 1 4   3  30 o 22.52475 0.3696206 259.9927   8.531287 246.6000  16.30000 274.7000   17.90000 21.91965 0.7267019 23.13458 0.7560956 -1.214926      1.048702  
1 1 1 4   3  31 o 67.70784 0.5923177 2349.976   41.09529 2313.500  67.90000 2405.900   104.1000 67.15052 0.9867839 68.41846 1.484838  -1.267937      1.782831  
1 1 1 4   4  0  o 328.9913 2.125212  55486.37   716.4485 55553.70  1741.300 55439.30   1217.300 328.7281 5.169380  328.6736 3.614385  0.5447388E-01  6.307636  
1 1 1 4   4  1  o 162.3168 2.774661  0.000000   0.000000 ?         ?        13511.20   461.5000 ?        ?         162.3168 2.774661  0.000000       2.774661  
1 1 1 4   4  2  o 146.8594 1.818756  0.000000   0.000000 ?         ?        11054.20   273.7000 ?        ?         146.8594 1.818756  0.000000       1.818756  
1 1 1 4   4  3  o 126.8678 1.539208  0.000000   0.000000 ?         ?        8248.400   200.1000 ?        ?         126.8678 1.539208  0.000000       1.539208  
1 1 1 4   4  4  o 138.7684 1.706089  0.000000   0.000000 ?         ?        9868.600   242.6000 ?        ?         138.7684 1.706089  0.000000       1.706089  
1 1 1 4   4  5  o 83.36298 0.5672867 3560.617   48.45897 3465.400  107.4000 3638.900   88.30000 82.23684 1.274499  84.27216 1.022535  -2.035316      1.633991  
1 1 1 4   4  6  o 216.7903 1.667597  24084.08   370.4499 24445.40  751.6000 23732.90   730.5000 218.3476 3.359232  215.1442 3.313540  3.203354       4.718472  
1 1 1 4   4  7  o 279.9164 1.813925  40153.14   520.2907 39521.50  886.1000 41051.50   1260.300 277.6474 3.114518  282.8848 4.347764  -5.237457      5.348203  
1 1 1 4   4  8  o 386.9438 2.475130  76743.91   981.3960 73130.10  1606.200 82420.20   2522.900 377.5818 4.151359  400.5701 6.146432  -22.98837      7.417035  
1 1 1 4   4  9  o 198.9575 1.331098  20283.54   271.3743 20455.20  471.1000 20050.30   640.1000 199.7724 2.301332  197.7523 3.158842  2.020126       3.908249  
1 1 1 4   4  10 o 434.4576 2.795461  96764.70   1244.512 94687.60  2084.300 99842.80   3088.800 429.5348 4.735475  440.6719 6.840314  -11.13712      8.319533  
1 1 1 4   4  11 o 238.2497 1.584249  29088.44   386.7714 28178.80  645.3000 30449.30   965.4000 234.4508 2.686034  243.6378 3.866911  -9.187057      4.708267  
1 1 1 4   4  12 o 121.3469 0.8593951 7544.916   106.8612 7070.200  172.1000 8322.500   281.9000 117.4607 1.429849  127.4246 2.158955  -9.963905      2.589508  
1 1 1 4   4  13 o 71.88896 0.5851574 2647.939   43.10556 2684.600  75.20000 2598.700   101.0000 72.38239 1.013880  71.21172 1.384113  1.170662       1.715728  
1 1 1 4   4  14 o 143.0234 0.9949178 10481.81   145.8118 10558.50  251.7000 10376.20   346.6000 143.5285 1.711381  142.2600 2.377647  1.268494       2.929511  
1 1 1 4   4  15 o 237.3807 1.614169  28882.03   392.6382 27912.50  635.7000 30448.20   1026.900 233.2847 2.659302  243.4718 4.116055  -10.18709      4.900386  
1 1 1 4   4  16 o 152.1779 1.071418  11867.59   167.0741 11201.80  269.5000 12953.60   439.6000 147.8205 1.779204  158.8997 2.699828  -11.07925      3.233363  
1 1 1 4   4  17 o 169.2632 1.010974  14682.19   175.3480 14511.30  343.5000 14860.40   358.2000 168.2209 1.992730  170.2278 2.053510  -2.006836      2.861446  
1 1 1 4   4  18 o 234.2866 1.363071  28136.02   327.2384 28487.30  658.4000 27788.90   650.6000 235.5824 2.727399  232.6765 2.728747  2.905914       3.858078  
1 1 1 4   4  19 o 77.27269 0.5441012 3059.524   43.08281 3054.500  81.90000 3065.100   90.90000 77.20143 1.035286  77.33281 1.147101  -0.1313782     1.545205  
1 1 1 4   4  20 o 78.50987 0.5337167 3158.285   42.93717 3223.200  83.40000 3089.400   88.50000 79.30415 1.026294  77.63871 1.112414  1.665443       1.513521  
1 1 1 4   4  21 o 145.7628 0.8871667 10888.34   132.5105 10508.40  253.2000 11305.50   278.0000 143.1513 1.726116  148.4736 1.827247  -5.322266      2.513624  
1 1 1 4   4  22 o 190.3077 1.138688  18563.38   222.0545 18187.10  434.0000 18957.60   454.7000 188.2584 2.249764  192.1968 2.308769  -3.938385      3.223640  
1 1 1 4   4  23 o 136.2078 0.8465639 9507.745   118.1572 9133.900  231.9000 9896.100   240.9000 133.4544 1.695780  138.9113 1.692391  -5.456924      2.395800  
1 1 1 4   4  24 o 58.43804 0.4410779 1749.818   26.41249 1743.900  51.70000 1756.000   54.00000 58.33274 0.8649277 58.53404 0.9002993 -0.2013016     1.248455  
1 1 1 4   4  25 o 54.07070 0.4283559 1498.060   23.73368 1417.900  44.70000 1588.800   50.60000 52.59805 0.8293532 55.67645 0.8869122 -3.078400      1.214265  
1 1 1 4   4  26 o 57.68951 0.4439719 1705.336   26.24525 1831.700  55.00000 1590.000   50.20000 59.77848 0.8978824 55.69551 0.8795999 4.082970       1.256936  
1 1 1 4   4  27 o 86.36931 0.5916412 3822.886   52.36200 3762.700  103.1000 3885.000   106.4000 85.65651 1.174627  87.03613 1.193009  -1.379623      1.674222  
1 1 1 4   4  28 o 67.81409 0.5077904 2356.714   35.28604 2626.600  78.20000 2134.800   64.30000 71.56412 1.066383  64.52284 0.9725213 7.041275       1.443250  
1 1 1 4   4  29 o 23.55447 0.4408435 284.3210   10.64036 286.8000  17.20000 280.3000   27.90000 23.64218 0.7107813 23.34290 1.170141  0.2992859      1.369102  
1 1 1 4   4  30 o 68.48972 0.5672666 2404.408   39.81173 2537.800  73.40000 2246.300   87.00000 70.32991 1.018492  66.14031 1.283674  4.189598       1.638641  
1 1 1 4   5  0  o 222.8917 1.291191  25457.36   294.9055 25426.20  824.9000 25474.70   459.0000 222.6549 3.615519  222.9467 2.009154  -0.2917938     4.136264  
1 1 1 4   5  1  o 198.6048 1.784178  0.000000   0.000000 ?         ?        20214.00   363.1000 ?        ?         198.6048 1.784178  0.000000       1.784178  
1 1 1 4   5  2  o 175.4827 1.408092  0.000000   0.000000 ?         ?        15779.70   253.2000 ?        ?         175.4827 1.408092  0.000000       1.408092  
1 1 1 4   5  3  o 100.2687 1.311977  0.000000   0.000000 ?         ?        5151.700   134.8000 ?        ?         100.2687 1.311977  0.000000       1.311977  
1 1 1 4   5  4  o 98.33355 0.8118078 0.000000   0.000000 ?         ?        4954.400   81.80000 ?        ?         98.33355 0.8118078 0.000000       0.8118078 
1 1 1 4   5  5  o 502.8930 4.515672  0.000000   0.000000 ?         ?        129753.0   2327.000 ?        ?         502.8930 4.515672  0.000000       4.515672  
1 1 1 4   5  6  o 240.3989 1.566068  29614.70   385.7816 30510.60  931.1000 28980.90   658.7000 243.9113 3.725341  237.7724 2.703509  6.138840       4.602948  
1 1 1 4   5  7  o 163.5478 1.079839  13705.49   180.9681 13587.00  418.4000 13795.80   318.9000 162.8090 2.507927  164.0712 1.896809  -1.262268      3.144453  
1 1 1 4   5  8  f 330.5833 1.828490  56006.65   619.4012 54953.90  1217.000 57097.80   1261.400 327.3407 3.628208  333.6592 3.689362  -6.318512      5.174484  
1 1 1 4   5  9  o 58.44064 0.4069136 1749.863   24.36776 1605.000  45.40000 1917.700   52.60000 55.96835 0.7916168 61.17781 0.8390608 -5.209461      1.153551  
1 1 1 4   5  10 o 245.5909 1.611576  30909.35   405.5659 31096.60  704.5000 30655.30   955.8000 246.2787 2.791617  244.4539 3.815678  1.824799       4.727846  
1 1 1 4   5  11 o 255.9567 1.675181  33575.02   439.3662 33870.60  762.0000 33172.50   1037.700 257.0136 2.893347  254.2616 3.982839  2.752029       4.922851  
1 1 1 4   5  12 o 182.1785 1.229927  17007.30   229.6016 17449.50  404.8000 16427.80   530.5000 184.5002 2.141141  178.9798 2.892564  5.520416       3.598807  
1 1 1 4   5  13 o 131.8443 0.9179296 8907.170   124.0136 9113.500  218.2000 8635.500   287.3000 133.3475 1.596877  129.7852 2.160290  3.562332       2.686423  
1 1 1 4   5  14 o 150.2444 1.038396  11567.47   159.8673 11024.30  258.8000 12445.20   418.2000 146.6526 1.722170  155.7693 2.620015  -9.116714      3.135339  
1 1 1 4   5  15 o 47.46541 0.4500614 1154.355   21.89008 1327.700  42.10000 966.6000   45.60000 50.90248 0.8071323 43.43061 1.024638  7.471870       1.304357  
1 1 1 4   5  16 o 134.7951 0.9609256 9311.233   132.7279 9212.700  226.1000 9451.300   321.4000 134.0530 1.645984  135.7376 2.310720  -1.684601      2.837021  
1 1 1 4   5  17 o 159.6501 1.104589  13062.92   180.7043 13184.40  311.9000 12895.60   429.6000 160.3427 1.898313  158.5092 2.644913  1.833435       3.255635  
1 1 1 4   5  18 o 72.40951 0.5993616 2686.586   44.47161 2670.200  76.00000 2709.700   107.2000 72.18170 1.027515  72.70389 1.438927  -0.5221863     1.768134  
1 1 1 4   5  19 o 166.3879 1.174981  14189.94   200.3322 14402.80  346.5000 13898.20   474.9000 167.5677 2.017969  164.5168 2.817044  3.050919       3.465246  
1 1 1 4   5  20 o 70.81482 0.5205533 2569.517   37.77354 2513.100  73.60000 2629.000   77.60000 70.02500 1.025714  71.62083 1.057363  -1.595825      1.473128  
1 1 1 4   5  21 o 112.8289 0.7237300 6523.497   83.67493 6471.000  167.5000 6575.900   167.2000 112.3460 1.454986  113.2537 1.440740  -0.9076767     2.047612  
1 1 1 4   5  22 o 152.3221 0.9234945 11891.03   144.1436 11489.40  279.1000 12320.00   298.1000 149.6653 1.819870  154.9752 1.877161  -5.309906      2.614509  
1 1 1 4   5  23 o 132.7717 0.8245648 9034.284   112.1834 8597.200  210.8000 9531.500   239.8000 129.4738 1.588877  136.3165 1.716732  -6.842712      2.339166  
1 1 1 4   5  24 o 129.1881 0.8116698 8553.499   107.4485 8553.300  214.1000 8553.700   215.7000 129.1291 1.618058  129.1310 1.630126  -0.1876831E-02 2.296829  
1 1 1 4   5  25 f 156.5632 0.9441751 12564.81   151.4749 12804.10  306.9000 12331.60   299.1000 157.9324 1.896389  154.9930 1.883241  2.939362       2.672618  
1 1 1 4   5  26 o 99.75748 0.6302963 5100.020   64.43007 4957.600  124.1000 5253.800   134.0000 98.31883 1.231790  101.2083 1.292082  -2.889488      1.785156  
1 1 1 4   5  27 o 19.02176 0.4133859 185.4090   8.057585 197.6000  16.90000 174.3000   15.40000 19.61478 0.8427901 18.42124 0.8178763 1.193539       1.174401  
1 1 1 4   5  28 o 40.05812 0.3565651 822.2567   14.63618 798.8000  28.40000 847.2000   30.20000 39.47502 0.7020978 40.65265 0.7249694 -1.177631      1.009219  
1 1 1 4   5  29 f 39.46329 0.6874690 798.4000   27.80000 798.4000  27.80000 ?          ?        39.46329 0.6874690 ?        ?         0.000000       0.6874690 
1 1 1 4   5  30 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 4   6  0  o 158.1410 1.465618  0.000000   0.000000 ?         ?        12815.10   237.5000 ?        ?         158.1410 1.465618  0.000000       1.465618  
1 1 1 4   6  1  o 247.7833 1.970032  0.000000   0.000000 ?         ?        31465.20   500.2000 ?        ?         247.7833 1.970032  0.000000       1.970032  
1 1 1 4   6  2  f 319.1149 2.494814  0.000000   0.000000 ?         ?        52198.10   815.8000 ?        ?         319.1149 2.494814  0.000000       2.494814  
1 1 1 4   6  3  o 111.9360 0.9293711 0.000000   0.000000 ?         ?        6420.000   106.6000 ?        ?         111.9360 0.9293711 0.000000       0.9293711 
1 1 1 4   6  4  o 431.4590 3.321513  0.000000   0.000000 ?         ?        95456.50   1468.500 ?        ?         431.4590 3.321513  0.000000       3.321513  
1 1 1 4   6  5  o 206.2312 1.627818  0.000000   0.000000 ?         ?        21795.40   344.0000 ?        ?         206.2312 1.627818  0.000000       1.627818  
1 1 1 4   6  6  f 27.10708 0.2815697 376.4754   7.821086 253.0000  15.30000 505.6000   16.00000 22.21104 0.6730161 31.41341 0.4970574 -9.202366      0.8366700 
1 1 1 4   6  7  o 89.79786 0.6216390 4131.563   57.20086 4031.700  130.4000 4209.600   101.9000 88.69981 1.434685  90.63887 1.097138  -1.939064      1.806110  
1 1 1 4   6  8  o 280.0391 1.815030  40191.46   520.8358 40422.20  1235.900 40023.40   900.2000 280.6513 4.297520  279.3706 3.144561  1.280762       5.325123  
1 1 1 4   6  9  o 227.5719 1.490738  26539.88   347.6310 25591.10  792.3000 27281.60   619.4000 223.3620 3.461640  230.6784 2.620390  -7.316376      4.341589  
1 1 1 4   6  10 o 195.3999 1.116485  19564.87   223.5504 18692.50  430.7000 20506.30   464.8000 190.9559 2.201119  200.0027 2.267942  -9.046814      3.160456  
1 1 1 4   6  11 o 204.6794 1.168504  21468.09   245.0770 21108.50  478.4000 21845.80   502.5000 202.9062 2.300898  206.4148 2.375729  -3.508560      3.307298  
1 1 1 4   6  12 o 65.71077 0.4576294 2212.357   30.81406 1922.600  54.80000 2584.600   70.40000 61.25411 0.8730657 71.02018 0.9673698 -9.766068      1.303092  
1 1 1 4   6  13 o 41.64218 0.3470133 888.4738   14.80737 794.8000  27.20000 1000.400   32.50000 39.38467 0.6739743 44.18580 0.7177980 -4.801132      0.9846194 
1 1 1 4   6  14 o 231.0031 1.555961  27354.28   368.3112 27474.00  645.5000 27195.20   857.7000 231.3867 2.722448  230.0689 3.638138  1.317764       4.543982  
1 1 1 4   6  15 o 200.2399 1.356423  20552.45   278.3199 19822.40  463.6000 21649.10   696.4000 196.5689 2.301602  205.2857 3.310562  -8.716766      4.032022  
1 1 1 4   6  16 o 230.0923 1.541305  27141.94   363.4033 26708.00  608.1000 27786.40   903.1000 228.1152 2.601491  232.4453 3.791549  -4.330093      4.598217  
1 1 1 4   6  17 o 224.0022 1.498273  25724.12   343.9074 25869.90  593.8000 25523.50   817.2000 224.5001 2.581222  222.8044 3.579367  1.695679       4.413000  
1 1 1 4   6  18 o 26.96420 0.4494435 372.5366   12.41827 327.2000  20.50000 442.2000   31.50000 25.25626 0.7930948 29.35481 1.048894  -4.098551      1.314982  
1 1 1 4   6  19 o 101.5238 0.7487482 5281.751   77.89364 5382.900  137.2000 5148.900   180.2000 102.4735 1.306605  100.2006 1.755037  2.272926       2.188006  
1 1 1 4   6  20 o 48.57293 0.4575278 1208.889   22.77247 1070.200  35.60000 1455.100   63.20000 45.69913 0.7602277 53.28054 1.157578  -7.581409      1.384894  
1 1 1 4   6  21 o 66.02254 0.5454938 2233.560   36.90459 2342.400  65.40000 2092.600   84.70000 67.60507 0.9440611 63.89002 1.293755  3.715054       1.601578  
1 1 1 4   6  22 o 96.66561 0.7136010 4788.503   70.68476 5033.500  125.4000 4472.000   162.0000 99.08775 1.235035  93.37290 1.693151  5.714851       2.095727  
1 1 1 4   6  23 o 162.2892 0.9676121 13500.05   160.9124 13313.70  315.6000 13693.90   328.3000 161.0643 1.912227  163.3407 1.961454  -2.276398      2.739328  
1 1 1 4   6  24 o 34.71606 0.3485213 617.5297   12.39819 677.8000  25.10000 558.7000   24.50000 36.36749 0.6735379 33.01746 0.7241426 3.350037       0.9889569 
1 1 1 4   6  25 o 92.56058 0.6149356 4390.635   58.32491 4519.500  116.8000 4262.100   116.5000 93.87564 1.214204  91.16078 1.247152  2.714859       1.740597  
1 1 1 4   6  26 o 61.74972 0.4653679 1953.952   29.44623 1873.200  56.00000 2043.500   62.10000 60.44569 0.9041163 63.13097 0.9599547 -2.685280      1.318689  
1 1 1 4   6  27 o 19.29326 0.5501357 190.9273   10.86501 198.3000  19.10000 181.2000   25.20000 19.64113 0.9518391 18.74286 1.320551  0.8982697      1.627837  
1 1 1 4   6  28 o 48.44005 0.7655625 1203.100   38.00000 1203.100  38.00000 ?          ?        48.44005 0.7655625 ?        ?         0.000000       0.7655625 
1 1 1 4   6  29 o 3.706858 1.649104  -4.900000  12.60000 -4.900000 12.60000 ?          ?        3.706858 1.649104  ?        ?         0.000000       1.649104  
1 1 1 4   7  0  o 229.6696 2.090563  0.000000   0.000000 ?         ?        27035.20   492.0000 ?        ?         229.6696 2.090563  0.000000       2.090563  
1 1 1 4   7  1  o 306.5923 2.398093  0.000000   0.000000 ?         ?        48183.30   753.4000 ?        ?         306.5923 2.398093  0.000000       2.398093  
1 1 1 4   7  2  f 166.8240 1.332006  0.000000   0.000000 ?         ?        14261.00   227.7000 ?        ?         166.8240 1.332006  0.000000       1.332006  
1 1 1 4   7  3  o 161.6496 1.301595  0.000000   0.000000 ?         ?        13390.00   215.6000 ?        ?         161.6496 1.301595  0.000000       1.301595  
1 1 1 4   7  4  o 121.4080 1.005569  0.000000   0.000000 ?         ?        7552.700   125.1000 ?        ?         121.4080 1.005569  0.000000       1.005569  
1 1 1 4   7  5  o 77.97879 0.7058367 0.000000   0.000000 ?         ?        3115.600   56.40000 ?        ?         77.97879 0.7058367 0.000000       0.7058367 
1 1 1 4   7  6  o 242.2989 2.239768  0.000000   0.000000 ?         ?        30094.50   556.1000 ?        ?         242.2989 2.239768  0.000000       2.239768  
1 1 1 4   7  7  o 227.8934 1.326531  26614.33   309.7759 27334.10  847.0000 26199.30   488.4000 230.8146 3.581145  226.0762 2.108251  4.738327       4.155637  
1 1 1 4   7  8  o 43.68001 0.3289976 977.5513   14.72563 859.3000  33.30000 1071.300   26.40000 40.95164 0.7935504 45.72596 0.5634335 -4.774319      0.9732315 
1 1 1 4   7  9  o 199.8843 1.316467  20475.35   269.6417 21087.80  653.2000 20044.80   459.2000 202.7356 3.144255  197.7243 2.266436  5.011337       3.875961  
1 1 1 4   7  10 o 213.6003 1.405795  23383.46   307.6963 23728.00  731.3000 23133.20   531.2000 215.0133 3.319188  212.3868 2.440800  2.626480       4.120014  
1 1 1 4   7  11 o 44.75721 0.3867309 1026.375   17.73660 1181.200  43.60000 920.2000   29.90000 48.01160 0.8862208 42.37776 0.6885490 5.633839       1.122269  
1 1 1 4   7  12 o 77.53796 0.5232893 3080.510   41.57714 2819.500  77.80000 3380.100   89.30000 74.17429 1.023594  81.21333 1.073064  -7.039040      1.482974  
1 1 1 4   7  13 o 134.2704 0.8008343 9238.387   110.1847 9424.000  223.0000 9057.100   217.8000 135.5807 1.605124  132.9156 1.599129  2.665161       2.265753  
1 1 1 4   7  14 o 84.98774 0.5488628 3700.969   47.79896 3578.800  91.40000 3834.900   100.2000 83.56400 1.067403  86.50069 1.130446  -2.936691      1.554753  
1 1 1 4   7  15 o 181.4399 1.063736  16872.10   197.7721 16822.10  390.9000 16923.30   400.3000 181.0885 2.106572  181.6277 2.150826  -0.5391846     3.010597  
1 1 1 4   7  16 o 41.35939 0.3686311 876.4636   15.62300 933.8000  32.60000 823.7000   30.00000 42.68818 0.7452666 40.09282 0.7302243 2.595352       1.043384  
1 1 1 4   7  17 f 123.9003 0.7627729 7866.640   96.84248 8134.000  197.3000 7608.900   190.2000 125.9547 1.528672  121.8216 1.523659  4.133118       2.158327  
1 1 1 4   7  18 o 94.53868 0.6932542 4579.876   67.15841 4731.400  119.7000 4386.200   153.0000 96.07462 1.215870  92.48690 1.614406  3.587715       2.021051  
1 1 1 4   7  19 o 49.49218 0.4517355 1255.080   22.90969 1379.900  43.50000 1116.200   48.40000 51.89082 0.8180887 46.66718 1.012128  5.223633       1.301412  
1 1 1 4   7  20 o 135.3878 0.9623705 9394.526   133.5120 9162.400  222.6000 9742.400   333.6000 133.6627 1.625236  137.7542 2.363322  -4.091461      2.868219  
1 1 1 4   7  21 o 196.6060 1.333745  19819.18   268.7003 19816.20  458.6000 19823.40   648.9000 196.4510 2.278146  196.2725 3.226412  0.1784363      3.949644  
1 1 1 4   7  22 o 90.81440 0.6865796 4226.459   63.89163 4280.300  109.6000 4151.200   153.2000 91.37118 1.170585  89.95248 1.662062  1.418701       2.032909  
1 1 1 4   7  23 o 53.11947 0.4834018 1445.884   26.31239 1641.100  49.40000 1223.400   56.30000 56.58405 0.8519902 48.84773 1.124775  7.736317       1.411030  
1 1 1 4   7  24 o 68.18565 0.5579002 2382.572   38.98055 2359.500  66.80000 2414.900   93.60000 67.84065 0.9609219 68.61275 1.331290  -0.7721024     1.641860  
1 1 1 4   7  25 f 49.27938 0.4927848 1244.476   24.88404 1170.300  37.70000 1388.500   73.20000 47.78123 0.7699910 51.99917 1.374984  -4.217945      1.575902  
1 1 1 4   7  26 o 70.25580 0.5975212 2529.864   43.01638 2579.600  70.60000 2452.300   110.1000 70.92100 0.9714746 69.09500 1.555043  1.825996       1.833554  
1 1 1 4   7  27 o 39.42517 0.6435782 796.8000   26.00000 796.8000  26.00000 ?          ?        39.42517 0.6435782 ?        ?         0.000000       0.6435782 
1 1 1 4   7  28 o 25.02777 0.5887846 321.1000   15.10000 321.1000  15.10000 ?          ?        25.02777 0.5887846 ?        ?         0.000000       0.5887846 
1 1 1 4   8  0  o 133.9651 1.107998  0.000000   0.000000 ?         ?        9196.200   152.1000 ?        ?         133.9651 1.107998  0.000000       1.107998  
1 1 1 4   8  1  o 135.8150 1.124523  0.000000   0.000000 ?         ?        9452.000   156.5000 ?        ?         135.8150 1.124523  0.000000       1.124523  
1 1 1 4   8  2  o 145.0517 1.184781  0.000000   0.000000 ?         ?        10781.60   176.1000 ?        ?         145.0517 1.184781  0.000000       1.184781  
1 1 1 4   8  3  o 69.78436 0.6306960 0.000000   0.000000 ?         ?        2495.200   45.10000 ?        ?         69.78436 0.6306960 0.000000       0.6306960 
1 1 1 4   8  4  o 224.1853 1.776048  0.000000   0.000000 ?         ?        25760.80   408.0000 ?        ?         224.1853 1.776048  0.000000       1.776048  
1 1 1 4   8  5  o 36.77436 0.4405189 0.000000   0.000000 ?         ?        692.9000   16.60000 ?        ?         36.77436 0.4405189 0.000000       0.4405189 
1 1 1 4   8  6  o 122.8363 1.029627  0.000000   0.000000 ?         ?        7732.000   129.6000 ?        ?         122.8363 1.029627  0.000000       1.029627  
1 1 1 4   8  7  o 63.30526 0.5935025 0.000000   0.000000 ?         ?        2053.400   38.50000 ?        ?         63.30526 0.5935025 0.000000       0.5935025 
1 1 1 4   8  8  o 106.3651 1.050529  0.000000   0.000000 ?         ?        5797.700   114.5000 ?        ?         106.3651 1.050529  0.000000       1.050529  
1 1 1 4   8  9  o 135.4585 0.8103662 9402.446   112.4828 10164.30  324.0000 8997.300   172.3000 140.7749 2.246060  132.4948 1.269078  8.280136       2.579796  
1 1 1 4   8  10 o 26.08686 0.3068469 348.6755   8.202417 354.8000  18.10000 343.6000   15.00000 26.30528 0.6720368 25.89561 0.5652841 0.4096737      0.8781683 
1 1 1 4   8  11 o 39.80021 0.3608168 811.6218   14.71535 826.5000  32.20000 799.1000   27.10000 40.16084 0.7824466 39.49036 0.6696992 0.6704750      1.029912  
1 1 1 4   8  12 o 198.9512 1.312676  20289.27   267.6101 19408.60  611.6000 20974.40   475.8000 194.3808 3.070547  202.1843 2.296565  -7.803497      3.834380  
1 1 1 4   8  13 o 77.77556 0.5838938 3099.536   46.53453 3036.600  104.8000 3149.800   83.70000 76.96632 1.328808  78.39536 1.041926  -1.429047      1.688591  
1 1 1 4   8  14 o 44.27817 0.3548917 1004.533   16.10215 897.2000  29.40000 1134.500   35.60000 41.84369 0.6856761 47.05250 0.7383612 -5.208813      1.007635  
1 1 1 4   8  15 o 62.87606 0.4497010 2025.659   28.97394 1990.900  58.30000 2060.000   57.60000 62.32821 0.9128209 63.40108 0.8865994 -1.072876      1.272517  
1 1 1 4   8  16 o 118.5409 0.7189108 7200.744   87.32561 7072.400  169.7000 7336.800   179.9000 117.4518 1.410015  119.6239 1.467624  -2.172104      2.035205  
1 1 1 4   8  17 o 200.5537 1.158586  20617.12   238.0989 20180.70  464.5000 21076.10   488.5000 198.2888 2.286068  202.6293 2.352685  -4.340576      3.280432  
1 1 1 4   8  18 o 13.99574 0.8952203 100.7994   12.77148 98.70000  22.70000 103.5000   29.20000 13.77584 1.640262  14.04926 2.092005  -0.2734146     2.658373  
1 1 1 4   8  19 o 100.3031 0.6212075 5155.427   63.84832 4976.700  122.8000 5349.000   133.0000 98.52750 1.216305  102.1436 1.270697  -3.616112      1.758997  
1 1 1 4   8  20 o 64.53059 0.4602433 2133.743   30.43347 2313.700  63.20000 1966.600   58.70000 67.18689 0.9179820 61.94236 0.9248088 5.244526       1.303059  
1 1 1 4   8  21 o 109.1315 0.6841222 6103.438   76.50362 5906.700  146.1000 6319.700   160.6000 107.3218 1.328507  111.0038 1.411917  -3.681984      1.938670  
1 1 1 4   8  22 o 91.75537 0.6764730 4314.744   63.60340 4511.000  112.7000 4060.500   146.0000 93.79215 1.172625  88.95270 1.601752  4.839455       1.985109  
1 1 1 4   8  23 o 53.03196 0.7912840 1441.600   43.00000 1441.600  43.00000 ?          ?        53.03196 0.7912840 ?        ?         0.000000       0.7912840 
1 1 1 4   8  24 o 45.02902 0.7628722 1039.400   35.20000 1039.400  35.20000 ?          ?        45.02902 0.7628722 ?        ?         0.000000       0.7628722 
1 1 1 4   8  25 o 101.2217 1.289984  5259.400   133.8000 5259.400  133.8000 ?          ?        101.2217 1.289984  ?        ?         0.000000       1.289984  
1 1 1 4   8  26 o 50.74391 0.7865766 1320.400   40.90000 1320.400  40.90000 ?          ?        50.74391 0.7865766 ?        ?         0.000000       0.7865766 
1 1 1 4   8  27 o 44.90091 0.7237535 1033.800   33.30000 1033.800  33.30000 ?          ?        44.90091 0.7237535 ?        ?         0.000000       0.7237535 
1 1 1 4   9  0  o 280.1030 2.206795  0.000000   0.000000 ?         ?        40231.40   633.4000 ?        ?         280.1030 2.206795  0.000000       2.206795  
1 1 1 4   9  1  o 127.5676 1.061055  0.000000   0.000000 ?         ?        8339.400   138.7000 ?        ?         127.5676 1.061055  0.000000       1.061055  
1 1 1 4   9  2  o 166.2410 1.334329  0.000000   0.000000 ?         ?        14164.00   227.3000 ?        ?         166.2410 1.334329  0.000000       1.334329  
1 1 1 4   9  3  o 68.16064 0.6242441 0.000000   0.000000 ?         ?        2380.500   43.60000 ?        ?         68.16064 0.6242441 0.000000       0.6242441 
1 1 1 4   9  4  o 88.95795 0.7712092 0.000000   0.000000 ?         ?        4055.000   70.30000 ?        ?         88.95795 0.7712092 0.000000       0.7712092 
1 1 1 4   9  5  f 83.83970 0.7356462 0.000000   0.000000 ?         ?        3601.800   63.20000 ?        ?         83.83970 0.7356462 0.000000       0.7356462 
1 1 1 4   9  6  o 60.70961 0.5722610 0.000000   0.000000 ?         ?        1888.500   35.60000 ?        ?         60.70961 0.5722610 0.000000       0.5722610 
1 1 1 4   9  7  o 38.64235 0.4545804 0.000000   0.000000 ?         ?        765.1000   18.00000 ?        ?         38.64235 0.4545804 0.000000       0.4545804 
1 1 1 4   9  8  o 113.7459 0.9489013 0.000000   0.000000 ?         ?        6630.500   110.6000 ?        ?         113.7459 0.9489013 0.000000       0.9489013 
1 1 1 4   9  9  o 87.44846 0.9139731 0.000000   0.000000 ?         ?        3919.000   81.90000 ?        ?         87.44846 0.9139731 0.000000       0.9139731 
1 1 1 4   9  10 o 86.48824 0.5522208 3832.843   48.94048 3996.500  130.8000 3735.000   78.20000 88.29243 1.445726  85.37104 0.8939182 2.921394       1.699768  
1 1 1 4   9  11 o 138.0299 0.8275852 9763.484   117.0535 10088.80  319.3000 9575.200   184.8000 140.2203 2.222234  136.6706 1.319558  3.549637       2.584483  
1 1 1 4   9  12 o 108.9266 0.7538565 6080.151   84.14363 6518.900  210.9000 5788.900   140.0000 112.7393 1.825589  106.2676 1.285668  6.471687       2.232872  
1 1 1 4   9  13 f 183.7993 1.214731  17316.65   228.7822 17930.70  559.6000 16892.00   387.0000 186.8157 2.923250  181.4477 2.081427  5.368011       3.588556  
1 1 1 4   9  14 o 100.2339 0.7083122 5148.380   72.75076 5047.700  164.4000 5228.300   130.5000 99.21365 1.617082  100.9903 1.261050  -1.776672      2.050659  
1 1 1 4   9  15 o 122.6836 0.8453541 7713.495   106.2731 7236.200  235.9000 8104.800   193.4000 118.7633 1.938417  125.7227 1.501220  -6.959389      2.451760  
1 1 1 4   9  16 o 138.9049 0.8241116 9888.129   117.3011 9724.400  231.3000 10056.60   238.0000 137.6983 1.639263  140.0289 1.658673  -2.330551      2.332033  
1 1 1 4   9  17 o 127.7953 0.7599086 8369.525   99.51180 8644.000  203.0000 8105.600   195.2000 129.8273 1.525920  125.7199 1.515226  4.107376       2.150428  
1 1 1 4   9  18 o 60.32912 0.4333030 1864.920   26.78657 1893.700  54.80000 1837.400   52.40000 60.78459 0.8798096 59.87482 0.8540605 0.9097672      1.226166  
1 1 1 4   9  19 o 56.03627 0.4186558 1608.965   24.03946 1525.500  46.30000 1699.100   50.00000 54.55620 0.8282062 57.57631 0.8474768 -3.020103      1.184965  
1 1 1 4   9  20 o 48.18940 0.4476929 1189.937   22.10701 1176.900  36.40000 1210.100   56.30000 47.91965 0.7412922 48.58016 1.130970  -0.6605110     1.352260  
1 1 1 4   9  21 o 137.7347 0.9735691 9726.252   137.4069 9859.600  238.0000 9544.100   325.1000 138.5847 1.675959  136.2239 2.328977  2.360779       2.869315  
1 1 1 4   9  22 o 71.50874 0.5724462 2620.636   41.94616 2513.500  67.50000 2796.500   110.8000 70.01530 0.9408328 73.81252 1.464912  -3.797218      1.741015  
1 1 1 4   9  23 o 36.56776 1.020449  0.000000   0.000000 ?         ?        686.4000   38.20000 ?        ?         36.56776 1.020449  0.000000       1.020449  
1 1 1 4   9  24 o 108.1008 1.306295  6000.200   144.7000 6000.200  144.7000 ?          ?        108.1008 1.306295  ?        ?         0.000000       1.306295  
1 1 1 4   9  25 o 52.78996 0.8060033 1429.200   43.60000 1429.200  43.60000 ?          ?        52.78996 0.8060033 ?        ?         0.000000       0.8060033 
1 1 1 4   9  26 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 4   10 0  o 141.8091 1.178152  0.000000   0.000000 ?         ?        10307.20   171.2000 ?        ?         141.8091 1.178152  0.000000       1.178152  
1 1 1 4   10 1  o 145.8669 1.180836  0.000000   0.000000 ?         ?        10905.60   176.5000 ?        ?         145.8669 1.180836  0.000000       1.180836  
1 1 1 4   10 2  o 53.58361 0.5664088 0.000000   0.000000 ?         ?        1471.200   31.10000 ?        ?         53.58361 0.5664088 0.000000       0.5664088 
1 1 1 4   10 3  o 113.0586 0.9745231 0.000000   0.000000 ?         ?        6550.800   112.9000 ?        ?         113.0586 0.9745231 0.000000       0.9745231 
1 1 1 4   10 4  o 39.05917 0.4497292 0.000000   0.000000 ?         ?        781.7000   18.00000 ?        ?         39.05917 0.4497292 0.000000       0.4497292 
1 1 1 4   10 5  o 159.8142 1.295781  0.000000   0.000000 ?         ?        13092.30   212.2000 ?        ?         159.8142 1.295781  0.000000       1.295781  
1 1 1 4   10 6  o 42.92731 0.4637652 0.000000   0.000000 ?         ?        944.2000   20.40000 ?        ?         42.92731 0.4637652 0.000000       0.4637652 
1 1 1 4   10 7  o 71.05382 0.6262951 0.000000   0.000000 ?         ?        2587.000   45.60000 ?        ?         71.05382 0.6262951 0.000000       0.6262951 
1 1 1 4   10 8  o 105.7891 0.8994255 0.000000   0.000000 ?         ?        5735.400   97.50000 ?        ?         105.7891 0.8994255 0.000000       0.8994255 
1 1 1 4   10 9  o 216.2723 1.733637  0.000000   0.000000 ?         ?        23988.30   384.2000 ?        ?         216.2723 1.733637  0.000000       1.733637  
1 1 1 4   10 10 o 22.19417 0.5408387 0.000000   0.000000 ?         ?        252.4000   12.30000 ?        ?         22.19417 0.5408387 0.000000       0.5408387 
1 1 1 4   10 11 o 93.60669 0.9674816 0.000000   0.000000 ?         ?        4490.800   92.80000 ?        ?         93.60669 0.9674816 0.000000       0.9674816 
1 1 1 4   10 12 o 17.37910 0.3523556 154.7542   6.274900 128.5000  12.60000 180.8000   12.50000 15.81586 0.7798673 18.77246 0.6508003 -2.956601      1.015743  
1 1 1 4   10 13 o 93.05424 0.5919706 4437.092   56.44619 4467.600  147.6000 4418.200   91.40000 93.33772 1.543231  92.84588 0.9606943 0.4918365      1.817827  
1 1 1 4   10 14 o 169.9857 1.122239  14811.92   195.4772 14002.80  440.7000 15456.90   351.3000 165.0956 2.605009  173.5557 1.975336  -8.460098      3.269254  
1 1 1 4   10 15 o 41.55325 0.3903834 884.7233   16.62243 905.4000  39.50000 869.7000   28.70000 42.02963 0.9171560 41.19612 0.6798722 0.8335114      1.141666  
1 1 1 4   10 16 o 46.02445 0.3824143 1085.368   18.03520 1335.000  47.70000 933.6000   29.00000 51.03490 0.9121217 42.68243 0.6630565 8.352470       1.127657  
1 1 1 4   10 17 o 78.68707 0.7001421 3173.155   56.45312 3160.600  104.2000 3188.000   123.2000 78.50580 1.295292  78.83141 1.525152  -0.3256073     2.000967  
1 1 1 4   10 18 o 91.96526 0.8249379 4335.116   77.73981 4579.600  150.5000 4073.900   160.8000 94.47170 1.554664  89.08409 1.761520  5.387611       2.349453  
1 1 1 4   10 19 o 41.57234 0.5004667 885.6373   21.31955 888.7000  35.40000 881.0000   53.60000 41.63758 0.8296968 41.42400 1.264221  0.2135849      1.512168  
1 1 1 4   10 20 o 52.33751 0.4654073 1403.700   24.96000 1370.700  41.60000 1453.200   62.40000 51.70988 0.7850936 53.22768 1.144060  -1.517799      1.387532  
1 1 1 4   10 21 o 26.05559 0.4012749 347.8903   10.71374 325.7000  16.40000 389.7000   30.90000 25.19976 0.6356176 27.54031 1.097138  -2.340549      1.267960  
1 1 1 4   10 22 o 28.48710 0.6508890 416.0000   19.00000 416.0000  19.00000 ?          ?        28.48710 0.6508890 ?        ?         0.000000       0.6508890 
1 1 1 4   10 23 o 104.1882 1.303833  5575.600   139.2000 5575.600  139.2000 ?          ?        104.1882 1.303833  ?        ?         0.000000       1.303833  
1 1 1 4   10 24 o 56.57296 1.560905  1647.700   90.40000 1647.700  90.40000 ?          ?        56.57296 1.560905  ?        ?         0.000000       1.560905  
1 1 1 4   11 0  o 41.90094 0.4797832 0.000000   0.000000 ?         ?        899.6000   20.60000 ?        ?         41.90094 0.4797832 0.000000       0.4797832 
1 1 1 4   11 1  o 188.3299 1.524492  0.000000   0.000000 ?         ?        18186.40   294.2000 ?        ?         188.3299 1.524492  0.000000       1.524492  
1 1 1 4   11 2  o 186.6490 1.491687  0.000000   0.000000 ?         ?        17862.70   285.3000 ?        ?         186.6490 1.491687  0.000000       1.491687  
1 1 1 4   11 3  o 161.3567 1.308796  0.000000   0.000000 ?         ?        13347.40   216.4000 ?        ?         161.3567 1.308796  0.000000       1.308796  
1 1 1 4   11 4  o 171.6329 1.380543  0.000000   0.000000 ?         ?        15102.70   242.8000 ?        ?         171.6329 1.380543  0.000000       1.380543  
1 1 1 4   11 5  o 114.5368 0.9483133 0.000000   0.000000 ?         ?        6723.500   111.3000 ?        ?         114.5368 0.9483133 0.000000       0.9483133 
1 1 1 4   11 6  f 128.9269 1.043055  0.000000   0.000000 ?         ?        8519.700   137.8000 ?        ?         128.9269 1.043055  0.000000       1.043055  
1 1 1 4   11 7  o 97.75788 0.8385503 0.000000   0.000000 ?         ?        4897.600   84.00000 ?        ?         97.75788 0.8385503 0.000000       0.8385503 
1 1 1 4   11 8  o 43.92895 0.4865136 0.000000   0.000000 ?         ?        988.8000   21.90000 ?        ?         43.92895 0.4865136 0.000000       0.4865136 
1 1 1 4   11 9  o 120.9016 1.007358  0.000000   0.000000 ?         ?        7492.100   124.8000 ?        ?         120.9016 1.007358  0.000000       1.007358  
1 1 1 4   11 10 f 93.38163 0.8266404 0.000000   0.000000 ?         ?        4469.000   79.10000 ?        ?         93.38163 0.8266404 0.000000       0.8266404 
1 1 1 4   11 11 o 47.84549 0.5078787 0.000000   0.000000 ?         ?        1173.000   24.90000 ?        ?         47.84549 0.5078787 0.000000       0.5078787 
1 1 1 4   11 12 o 47.40349 0.6134901 0.000000   0.000000 ?         ?        1151.500   29.80000 ?        ?         47.40349 0.6134901 0.000000       0.6134901 
1 1 1 4   11 13 o 112.2923 1.105449  0.000000   0.000000 ?         ?        6464.500   127.2000 ?        ?         112.2923 1.105449  0.000000       1.105449  
1 1 1 4   11 14 o 81.95280 0.6071554 3441.789   50.98730 3257.000  109.0000 3604.200   95.80000 79.69138 1.334802  83.84387 1.115054  -4.152496      1.739264  
1 1 1 4   11 15 o 84.09161 0.6236571 3623.898   53.73990 3788.700  127.3000 3503.500   93.00000 85.93823 1.445585  82.66248 1.097934  3.275749       1.815261  
1 1 1 4   11 16 o 46.03028 0.4281584 1085.702   20.19512 1210.800  46.00000 987.8000   36.00000 48.59858 0.9237105 43.89893 0.8002952 4.699650       1.222176  
1 1 1 4   11 17 o 72.44663 0.6579397 2690.001   48.84304 2631.300  88.50000 2762.300   109.0000 71.62309 1.205846  73.36565 1.449891  -1.742569      1.885802  
1 1 1 4   11 18 o 122.8926 0.9969787 7744.864   125.5480 7817.000  252.1000 7673.300   250.1000 123.2955 1.995387  122.1564 1.998017  1.139107       2.823764  
1 1 1 4   11 19 o 60.20842 0.5929191 1858.020   36.58062 1945.900  70.70000 1763.800   75.80000 61.58532 1.120324  58.62211 1.261855  2.963215       1.687425  
1 1 1 4   11 20 o 63.20508 1.100878  2050.000   71.30000 2050.000  71.30000 ?          ?        63.20508 1.100878  ?        ?         0.000000       1.100878  
1 1 1 4   11 21 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 4   11 22 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 4   12 0  o 40.87731 0.4965725 0.000000   0.000000 ?         ?        856.2000   20.80000 ?        ?         40.87731 0.4965725 0.000000       0.4965725 
1 1 1 4   12 1  o 45.63269 0.5025663 0.000000   0.000000 ?         ?        1067.000   23.50000 ?        ?         45.63269 0.5025663 0.000000       0.5025663 
1 1 1 4   12 2  o 37.86605 0.4870947 0.000000   0.000000 ?         ?        734.7000   18.90000 ?        ?         37.86605 0.4870947 0.000000       0.4870947 
1 1 1 4   12 3  o 114.2572 0.9557589 0.000000   0.000000 ?         ?        6691.100   111.9000 ?        ?         114.2572 0.9557589 0.000000       0.9557589 
1 1 1 4   12 4  o 67.67355 0.6215270 0.000000   0.000000 ?         ?        2346.800   43.10000 ?        ?         67.67355 0.6215270 0.000000       0.6215270 
1 1 1 4   12 5  o 128.3878 1.064917  0.000000   0.000000 ?         ?        8449.400   140.1000 ?        ?         128.3878 1.064917  0.000000       1.064917  
1 1 1 4   12 6  o 78.61488 1.007982  0.000000   0.000000 ?         ?        3167.900   81.20000 ?        ?         78.61488 1.007982  0.000000       1.007982  
1 1 1 4   12 7  o 25.28500 0.4978843 0.000000   0.000000 ?         ?        327.6000   12.90000 ?        ?         25.28500 0.4978843 0.000000       0.4978843 
1 1 1 4   12 8  o 24.95069 0.5202005 0.000000   0.000000 ?         ?        319.0000   13.30000 ?        ?         24.95069 0.5202005 0.000000       0.5202005 
1 1 1 4   12 9  o 111.7828 1.115726  0.000000   0.000000 ?         ?        6406.200   127.8000 ?        ?         111.7828 1.115726  0.000000       1.115726  
1 1 1 4   12 10 o 50.09035 0.9000975 0.000000   0.000000 ?         ?        1286.100   46.20000 ?        ?         50.09035 0.9000975 0.000000       0.9000975 
1 1 1 4   12 11 o 32.44086 0.7791283 0.000000   0.000000 ?         ?        539.4000   25.90000 ?        ?         32.44086 0.7791283 0.000000       0.7791283 
1 1 1 4   12 12 o 23.07793 0.8726802 0.000000   0.000000 ?         ?        273.4000   20.60000 ?        ?         23.07793 0.8726802 0.000000       0.8726802 
1 1 1 4   12 13 o 22.24672 0.9497072 0.000000   0.000000 ?         ?        254.2000   21.60000 ?        ?         22.24672 0.9497072 0.000000       0.9497072 
1 1 1 4   12 14 o 83.94147 1.090506  0.000000   0.000000 ?         ?        3613.600   93.80000 ?        ?         83.94147 1.090506  0.000000       1.090506  
1 1 1 4   12 15 o 94.71322 1.201405  0.000000   0.000000 ?         ?        4602.200   116.6000 ?        ?         94.71322 1.201405  0.000000       1.201405  
1 1 1 4   12 16 o 92.14817 1.210490  0.000000   0.000000 ?         ?        4357.300   114.3000 ?        ?         92.14817 1.210490  0.000000       1.210490  
1 1 1 4   12 17 o 105.9045 0.7453924 5750.430   80.89058 5972.400  193.3000 5590.700   139.1000 107.7598 1.750559  104.3490 1.300890  3.410805       2.181003  
1 1 1 4   12 18 o 43.82911 0.4934725 984.5693   22.16277 1077.100  40.00000 869.6000   49.70000 45.82648 0.8518147 41.13978 1.180171  4.686695       1.455470  
1 1 1 4   12 19 o 52.25892 1.075632  0.000000   0.000000 ?         ?        1401.900   57.60000 ?        ?         52.25892 1.075632  0.000000       1.075632  
1 1 1 4   12 20 o 27.16267 1.072755  0.000000   0.000000 ?         ?        379.4000   29.80000 ?        ?         27.16267 1.072755  0.000000       1.072755  
1 1 1 4   13 0  o 97.09271 0.8241928 0.000000   0.000000 ?         ?        4831.700   82.00000 ?        ?         97.09271 0.8241928 0.000000       0.8241928 
1 1 1 4   13 1  o 102.6178 0.8692109 0.000000   0.000000 ?         ?        5397.500   91.40000 ?        ?         102.6178 0.8692109 0.000000       0.8692109 
1 1 1 4   13 2  o 60.16840 0.5936278 0.000000   0.000000 ?         ?        1855.200   36.60000 ?        ?         60.16840 0.5936278 0.000000       0.5936278 
1 1 1 4   13 3  o 10.08646 1.030361  0.000000   0.000000 ?         ?        52.70000   10.50000 ?        ?         10.08646 1.030361  0.000000       1.030361  
1 1 1 4   13 4  o 97.43486 0.9765441 0.000000   0.000000 ?         ?        4866.800   97.50000 ?        ?         97.43486 0.9765441 0.000000       0.9765441 
1 1 1 4   13 5  o 111.3355 1.440143  0.000000   0.000000 ?         ?        6359.000   164.3000 ?        ?         111.3355 1.440143  0.000000       1.440143  
1 1 1 4   13 6  o 75.23020 1.014416  0.000000   0.000000 ?         ?        2901.600   78.20000 ?        ?         75.23020 1.014416  0.000000       1.014416  
1 1 1 4   13 7  o 101.1343 1.234166  0.000000   0.000000 ?         ?        5245.800   127.9000 ?        ?         101.1343 1.234166  0.000000       1.234166  
1 1 1 4   13 8  o 67.02856 0.9434454 0.000000   0.000000 ?         ?        2303.400   64.80000 ?        ?         67.02856 0.9434454 0.000000       0.9434454 
1 1 1 4   13 9  o 41.80838 0.7912942 0.000000   0.000000 ?         ?        896.0000   33.90000 ?        ?         41.80838 0.7912942 0.000000       0.7912942 
1 1 1 4   13 10 o 64.92896 0.9484022 0.000000   0.000000 ?         ?        2161.600   63.10000 ?        ?         64.92896 0.9484022 0.000000       0.9484022 
1 1 1 4   13 11 o 103.2315 1.270541  0.000000   0.000000 ?         ?        5468.200   134.4000 ?        ?         103.2315 1.270541  0.000000       1.270541  
1 1 1 4   13 12 o 87.62953 1.203862  0.000000   0.000000 ?         ?        3940.200   108.1000 ?        ?         87.62953 1.203862  0.000000       1.203862  
1 1 1 4   13 13 o 21.26942 0.8874797 0.000000   0.000000 ?         ?        232.4000   19.30000 ?        ?         21.26942 0.8874797 0.000000       0.8874797 
1 1 1 4   13 14 o 29.93227 0.7668096 0.000000   0.000000 ?         ?        459.7000   23.50000 ?        ?         29.93227 0.7668096 0.000000       0.7668096 
1 1 1 4   13 15 o 2.934638 1.444466  0.000000   0.000000 ?         ?        -32.50000  15.30000 ?        ?         2.934638 1.444466  0.000000       1.444466  
1 1 1 4   13 16 o 102.6385 1.933936  0.000000   0.000000 ?         ?        5431.800   203.4000 ?        ?         102.6385 1.933936  0.000000       1.933936  
1 1 1 4   13 17 o 37.44879 1.200281  0.000000   0.000000 ?         ?        721.2000   46.00000 ?        ?         37.44879 1.200281  0.000000       1.200281  
1 1 1 4   14 0  o 17.72255 0.9450281 0.000000   0.000000 ?         ?        161.5000   17.10000 ?        ?         17.72255 0.9450281 0.000000       0.9450281 
1 1 1 4   14 1  o 75.31886 1.020996  0.000000   0.000000 ?         ?        2909.100   78.80000 ?        ?         75.31886 1.020996  0.000000       1.020996  
1 1 1 4   14 2  o 66.79919 0.9846691 0.000000   0.000000 ?         ?        2288.100   67.40000 ?        ?         66.79919 0.9846691 0.000000       0.9846691 
1 1 1 4   14 3  o 34.80120 0.7094600 0.000000   0.000000 ?         ?        620.8000   25.30000 ?        ?         34.80120 0.7094600 0.000000       0.7094600 
1 1 1 4   14 4  o 46.88650 0.7409754 0.000000   0.000000 ?         ?        1126.900   35.60000 ?        ?         46.88650 0.7409754 0.000000       0.7409754 
1 1 1 4   14 5  o 91.12780 1.149081  0.000000   0.000000 ?         ?        4260.200   107.3000 ?        ?         91.12780 1.149081  0.000000       1.149081  
1 1 1 4   14 6  o 41.32864 0.7225567 0.000000   0.000000 ?         ?        875.6000   30.60000 ?        ?         41.32864 0.7225567 0.000000       0.7225567 
1 1 1 4   14 7  o 80.85262 1.023537  0.000000   0.000000 ?         ?        3353.200   84.80000 ?        ?         80.85262 1.023537  0.000000       1.023537  
1 1 1 4   14 8  o 68.13982 0.9208982 0.000000   0.000000 ?         ?        2381.300   64.30000 ?        ?         68.13982 0.9208982 0.000000       0.9208982 
1 1 1 4   14 9  o 95.19930 1.227049  0.000000   0.000000 ?         ?        4652.700   119.7000 ?        ?         95.19930 1.227049  0.000000       1.227049  
1 1 1 4   14 10 o 35.91611 0.7091740 0.000000   0.000000 ?         ?        661.4000   26.10000 ?        ?         35.91611 0.7091740 0.000000       0.7091740 
1 1 1 4   14 11 o 50.48254 0.8157796 0.000000   0.000000 ?         ?        1307.100   42.20000 ?        ?         50.48254 0.8157796 0.000000       0.8157796 
1 1 1 4   14 12 o 21.06715 0.8168309 0.000000   0.000000 ?         ?        228.0000   17.60000 ?        ?         21.06715 0.8168309 0.000000       0.8168309 
1 1 1 4   14 13 o 13.62987 1.674796  0.000000   0.000000 ?         ?        97.10000   22.90000 ?        ?         13.62987 1.674796  0.000000       1.674796  
1 1 1 4   14 14 o 22.68983 0.9916267 0.000000   0.000000 ?         ?        264.8000   23.00000 ?        ?         22.68983 0.9916267 0.000000       0.9916267 
1 1 1 4   15 0  o 39.32397 0.7246481 0.000000   0.000000 ?         ?        792.9000   29.20000 ?        ?         39.32397 0.7246481 0.000000       0.7246481 
1 1 1 4   15 1  o 7.469748 2.121849  0.000000   0.000000 ?         ?        29.50000   17.00000 ?        ?         7.469748 2.121849  0.000000       2.121849  
1 1 1 4   15 2  o 41.23231 0.7479129 0.000000   0.000000 ?         ?        871.8000   31.60000 ?        ?         41.23231 0.7479129 0.000000       0.7479129 
1 1 1 4   15 3  o 108.0039 1.328249  0.000000   0.000000 ?         ?        5993.200   147.0000 ?        ?         108.0039 1.328249  0.000000       1.328249  
1 1 1 4   15 4  o 65.06351 0.8669459 0.000000   0.000000 ?         ?        2171.600   57.80000 ?        ?         65.06351 0.8669459 0.000000       0.8669459 
1 1 1 4   15 5  o 20.43804 0.9431943 0.000000   0.000000 ?         ?        214.8000   19.70000 ?        ?         20.43804 0.9431943 0.000000       0.9431943 
1 1 1 4   15 6  o 66.17243 0.9792479 0.000000   0.000000 ?         ?        2247.400   66.40000 ?        ?         66.17243 0.9792479 0.000000       0.9792479 
1 1 1 4   15 7  o 38.11038 0.7297989 0.000000   0.000000 ?         ?        744.9000   28.50000 ?        ?         38.11038 0.7297989 0.000000       0.7297989 
1 1 1 4   15 8  o 19.84931 0.8327386 0.000000   0.000000 ?         ?        202.5000   16.90000 ?        ?         19.84931 0.8327386 0.000000       0.8327386 
1 1 1 4   15 9  o 25.82087 1.068117  0.000000   0.000000 ?         ?        343.0000   28.20000 ?        ?         25.82087 1.068117  0.000000       1.068117  
1 1 1 4   15 10 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 4   16 0  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 4   16 1  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 5   0  0  o 316.2354 5.054018  51368.60   1636.800 51368.60  1636.800 51368.60   1636.800 316.2354 5.054018  316.2354 5.054018  0.000000       0.000000  
1 1 1 5   0  1  o 105.2791 1.312103  5682.100   141.5000 5682.100  141.5000 5682.100   141.5000 105.2791 1.312103  105.2791 1.312103  0.000000       0.000000  
1 1 1 5   0  2  o 28.80456 0.5051588 425.5000   14.90000 425.5000  14.90000 425.5000   14.90000 28.80456 0.5051588 28.80456 0.5051588 0.000000       0.000000  
1 1 1 5   0  3  f 151.6591 1.818412  11792.20   282.5000 11792.20  282.5000 11792.20   282.5000 151.6591 1.818412  151.6591 1.818412  0.000000       0.000000  
1 1 1 5   0  4  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 5   0  5  o 287.0114 4.606866  42286.20   1354.100 42286.20  1354.100 42286.20   1354.100 287.0114 4.606866  287.0114 4.606866  0.000000       0.000000  
1 1 1 5   0  6  f 104.9858 1.285066  5650.100   138.2000 5650.100  138.2000 5650.100   138.2000 104.9858 1.285066  104.9858 1.285066  0.000000       0.000000  
1 1 1 5   0  7  o 20.48546 0.5630934 215.5000   11.80000 215.5000  11.80000 215.5000   11.80000 20.48546 0.5630934 20.48546 0.5630934 0.000000       0.000000  
1 1 1 5   0  8  o 248.6157 2.846684  31689.10   725.0000 31689.10  725.0000 31689.10   725.0000 248.6157 2.846684  248.6157 2.846684  0.000000       0.000000  
1 1 1 5   0  9  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 5   0  10 o 420.5907 4.670413  90734.10   2012.300 90734.10  2012.300 90734.10   2012.300 420.5907 4.670413  420.5907 4.670413  0.000000       0.000000  
1 1 1 5   0  11 o 33.65055 0.7315999 581.0000   25.20000 581.0000  25.20000 581.0000   25.20000 33.65055 0.7315999 33.65055 0.7315999 0.000000       0.000000  
1 1 1 5   0  12 o 105.1408 1.363079  5667.100   146.8000 5667.100  146.8000 5667.100   146.8000 105.1408 1.363079  105.1408 1.363079  0.000000       0.000000  
1 1 1 5   0  13 o 226.1872 2.592506  26230.20   600.7000 26230.20  600.7000 26230.20   600.7000 226.1872 2.592506  226.1872 2.592506  0.000000       0.000000  
1 1 1 5   0  14 o 166.5608 1.971028  14222.70   336.3000 14222.70  336.3000 14222.70   336.3000 166.5608 1.971028  166.5608 1.971028  0.000000       0.000000  
1 1 1 5   0  15 o 149.0763 1.815229  11393.80   277.2000 11393.80  277.2000 11393.80   277.2000 149.0763 1.815229  149.0763 1.815229  0.000000       0.000000  
1 1 1 5   0  16 f 86.36423 1.186976  3824.100   105.0000 3824.100  105.0000 3824.100   105.0000 86.36423 1.186976  86.36423 1.186976  0.000000       0.000000  
1 1 1 5   0  17 o 103.2347 1.314465  5463.900   139.0000 5463.900  139.0000 5463.900   139.0000 103.2347 1.314465  103.2347 1.314465  0.000000       0.000000  
1 1 1 5   0  18 o 99.11987 1.337577  5037.500   135.8000 5037.500  135.8000 5037.500   135.8000 99.11987 1.337577  99.11987 1.337577  0.000000       0.000000  
1 1 1 5   0  19 o 160.0474 1.962845  13136.10   321.8000 13136.10  321.8000 13136.10   321.8000 160.0474 1.962845  160.0474 1.962845  0.000000       0.000000  
1 1 1 5   0  20 o 15.61205 0.9585013 126.3000   15.20000 126.3000  15.20000 126.3000   15.20000 15.61205 0.9585013 15.61205 0.9585013 0.000000       0.000000  
1 1 1 5   0  21 o 80.24816 1.091290  3301.800   89.70000 3301.800  89.70000 3301.800   89.70000 80.24816 1.091290  80.24816 1.091290  0.000000       0.000000  
1 1 1 5   0  22 o 224.3106 2.614657  25815.50   600.8000 25815.50  600.8000 25815.50   600.8000 224.3106 2.614657  224.3106 2.614657  0.000000       0.000000  
1 1 1 5   0  23 o 102.8092 1.366480  5419.900   143.9000 5419.900  143.9000 5419.900   143.9000 102.8092 1.366480  102.8092 1.366480  0.000000       0.000000  
1 1 1 5   0  24 o 73.51984 1.118241  2771.900   84.20000 2771.900  84.20000 2771.900   84.20000 73.51984 1.118241  73.51984 1.118241  0.000000       0.000000  
1 1 1 5   0  25 o 59.38278 0.9356134 1808.400   56.90000 1808.400  56.90000 1808.400   56.90000 59.38278 0.9356134 59.38278 0.9356134 0.000000       0.000000  
1 1 1 5   0  26 o 114.7867 1.457735  6757.700   171.4000 6757.700  171.4000 6757.700   171.4000 114.7867 1.457735  114.7867 1.457735  -0.000000      0.000000  
1 1 1 5   0  27 o 37.04743 0.7118182 704.1000   27.00000 704.1000  27.00000 704.1000   27.00000 37.04743 0.7118182 37.04743 0.7118182 0.000000       0.000000  
1 1 1 5   0  28 o 54.53176 0.9186444 1525.400   51.30000 1525.400  51.30000 1525.400   51.30000 54.53176 0.9186444 54.53176 0.9186444 0.000000       0.000000  
1 1 1 5   0  29 o 94.99369 1.259997  4629.600   122.6000 4629.600  122.6000 4629.600   122.6000 94.99369 1.259997  94.99369 1.259997  0.000000       0.000000  
1 1 1 5   0  30 f 43.90625 0.7473057 988.9000   33.60000 988.9000  33.60000 988.9000   33.60000 43.90625 0.7473057 43.90625 0.7473057 0.000000       0.000000  
1 1 1 5   1  0  o 17.39531 0.2652307 155.0377   4.727749 159.0000  8.600000 150.2000   10.50000 17.60954 0.4770373 17.11090 0.5997774 0.4986362      0.7663534 
1 1 1 5   1  1  o 97.24510 0.6858538 4845.453   68.34357 4589.500  110.9000 5256.500   178.1000 94.63594 1.143608  101.2672 1.716315  -6.631218      2.062420  
1 1 1 5   1  2  o 71.77919 0.9285895 2640.100   68.30000 2640.100  68.30000 ?          ?        71.77919 0.9285895 ?        ?         0.000000       0.9285895 
1 1 1 5   1  3  f 194.9862 2.217182  19492.80   443.0000 19492.80  443.0000 ?          ?        194.9862 2.217182  ?        ?         0.000000       2.217182  
1 1 1 5   1  4  f 108.4157 0.7891226 6022.632   87.66681 5928.300  141.1000 6177.400   231.5000 107.5566 1.280241  109.7755 2.058009  -2.218903      2.423719  
1 1 1 5   1  5  o 261.3279 2.086975  35005.20   558.8577 36306.80  1142.700 33759.30   1093.800 265.9627 4.192886  256.4656 4.162080  9.497070       5.907894  
1 1 1 5   1  6  o 375.9773 2.431355  72461.09   936.7170 72811.90  2265.600 72213.80   1597.000 376.4396 5.873400  375.1584 4.154243  1.281219       7.194064  
1 1 1 5   1  7  f 163.6179 0.9714790 13716.98   162.8780 14169.30  333.9000 13286.20   318.0000 166.2768 1.959685  161.0126 1.927387  5.264236       2.748670  
1 1 1 5   1  8  o 63.87922 0.4452225 2090.707   29.14305 2110.300  57.40000 2070.500   59.20000 64.17668 0.8728433 63.56849 0.9088275 0.6081924      1.260088  
1 1 1 5   1  9  o 159.2655 0.9476696 12996.82   154.6596 13065.00  314.4000 12930.80   304.4000 159.6682 1.921613  158.8470 1.870110  0.8211517      2.681401  
1 1 1 5   1  10 o 144.6581 0.8716019 10722.02   129.1991 10748.60  257.7000 10695.30   259.1000 144.8260 1.736479  144.4662 1.750260  0.3597565      2.465516  
1 1 1 5   1  11 o 203.5186 1.197005  21223.75   249.6309 21579.40  516.2000 20890.70   483.4000 205.1825 2.455158  201.8859 2.336696  3.296585       3.389388  
1 1 1 5   1  12 o 210.1402 1.242065  22627.65   267.4557 22763.90  539.5000 22493.70   530.4000 210.7330 2.498392  209.4797 2.470946  1.253296       3.513906  
1 1 1 5   1  13 o 225.9540 1.311938  26162.19   303.7608 27296.30  630.8000 25108.80   585.9000 230.7448 2.667850  221.3102 2.583591  9.434586       3.713808  
1 1 1 5   1  14 o 135.4807 0.8467713 9404.938   117.5552 9415.400  232.1000 9394.200   238.2000 135.5413 1.671111  135.3875 1.716979  0.1537933      2.395961  
1 1 1 5   1  15 f 166.3502 0.9915621 14179.81   169.0214 13933.80  333.7000 14432.30   342.5000 164.8698 1.975226  167.7924 1.992003  -2.922592      2.805280  
1 1 1 5   1  16 o 56.27366 0.4313582 1622.525   24.87377 1654.700  50.10000 1590.800   49.40000 56.82639 0.8603780 55.71831 0.8652282 1.108074       1.220193  
1 1 1 5   1  17 o 69.71896 0.5023226 2490.529   35.88657 2609.600  74.20000 2379.000   69.50000 71.36072 1.014720  68.13512 0.9954407 3.225594       1.421464  
1 1 1 5   1  18 o 138.7977 0.8574855 9872.024   121.9572 10070.90  246.9000 9677.900   241.0000 140.1529 1.719177  137.3915 1.711823  2.761429       2.426089  
1 1 1 5   1  19 o 25.05474 0.4761505 321.6417   12.22454 429.6000  24.60000 215.0000   24.30000 28.94226 0.8303353 20.44843 1.164520  8.493828       1.430232  
1 1 1 5   1  20 o 159.1874 0.9619370 12986.50   156.9111 12596.40  300.4000 13413.10   328.5000 156.7248 1.870526  161.7165 1.982360  -4.991684      2.725550  
1 1 1 5   1  21 o 197.6435 1.196030  20021.96   242.2272 18916.20  464.5000 21227.00   506.2000 191.9973 2.360980  203.3774 2.428964  -11.38013      3.387343  
1 1 1 5   1  22 o 92.78205 0.6312442 4411.106   60.01499 4373.400  118.5000 4449.800   121.6000 92.36868 1.251974  93.17123 1.273660  -0.8025513     1.785958  
1 1 1 5   1  23 o 103.5597 0.6826221 5495.605   72.43855 5984.700  157.4000 5078.600   134.2000 108.0428 1.421708  99.53294 1.315792  8.509857       1.937154  
1 1 1 5   1  24 o 63.40610 0.4826885 2060.003   31.36147 1980.200  60.60000 2145.600   65.00000 62.15809 0.9514294 64.70130 0.9803969 -2.543209      1.366161  
1 1 1 5   1  25 o 169.9523 1.013056  14805.30   176.4245 14459.80  345.7000 15165.40   360.3000 167.8472 2.009957  171.8883 2.045595  -4.041061      2.867819  
1 1 1 5   1  26 f 70.46879 0.5328782 2544.642   38.47894 2498.800  73.30000 2595.300   81.00000 69.81711 1.024575  71.14901 1.111010  -1.331902      1.511323  
1 1 1 5   1  27 o 56.04204 0.4581934 1609.366   26.31244 1547.400  51.50000 1674.100   53.80000 54.94147 0.9147629 57.14637 0.9187455 -2.204899      1.296489  
1 1 1 5   1  28 o 42.06180 0.3734522 906.5542   16.09612 925.9000  32.70000 887.8000   31.70000 42.50082 0.7508481 41.61739 0.7433376 0.8834343      1.056562  
1 1 1 5   1  29 o 31.90895 0.3578742 521.7373   11.70149 589.7000  24.50000 459.6000   22.40000 33.91702 0.7049365 29.94221 0.7300721 3.974806       1.014860  
1 1 1 5   1  30 o 55.86123 0.4304647 1599.166   24.64033 1601.500  51.20000 1597.000   47.50000 55.87981 0.8941630 55.80520 0.8306548 0.7461166E-01  1.220457  
1 1 1 5   2  0  o 195.3688 1.282877  19560.71   256.8258 19960.70  450.1000 19029.20   598.1000 197.3080 2.226209  192.5889 3.030708  4.719040       3.760479  
1 1 1 5   2  1  o 146.7747 0.9897281 11039.06   148.8557 11110.50  258.2000 10941.80   351.5000 147.2281 1.711461  146.0789 2.348224  1.149246       2.905728  
1 1 1 5   2  2  o 154.9251 1.737297  12302.40   275.8000 12302.40  275.8000 ?          ?        154.9251 1.737297  ?        ?         0.000000       1.737297  
1 1 1 5   2  3  o 222.8597 2.450023  25465.40   559.5000 25465.40  559.5000 ?          ?        222.8597 2.450023  ?        ?         0.000000       2.450023  
1 1 1 5   2  4  o 107.8523 1.245966  5960.700   137.7000 5960.700  137.7000 ?          ?        107.8523 1.245966  ?        ?         0.000000       1.245966  
1 1 1 5   2  5  o 83.50385 1.423451  3573.200   121.8000 3573.200  121.8000 ?          ?        83.50385 1.423451  ?        ?         0.000000       1.423451  
1 1 1 5   2  6  o 370.1729 2.848162  70248.28   1080.358 69003.80  2116.700 71545.60   2206.600 366.5620 5.635253  373.2314 5.769619  -6.669342      8.065022  
1 1 1 5   2  7  o 229.9169 1.526990  27088.00   359.7538 26591.40  613.7000 27791.50   869.4000 227.7653 2.629482  232.7994 3.644512  -5.034149      4.494068  
1 1 1 5   2  8  o 236.6741 1.351735  28702.58   327.8238 28117.10  645.8000 29306.20   665.8000 234.2068 2.690916  239.1069 2.717399  -4.900040      3.824301  
1 1 1 5   2  9  o 175.0823 1.030787  15706.66   184.9308 15421.10  361.7000 16005.40   378.4000 173.4654 2.034873  176.7198 2.089622  -3.254379      2.916715  
1 1 1 5   2  10 o 492.9193 2.721227  124551.5   1374.482 125242.0  2759.000 123866.0   2739.000 493.8918 5.451570  491.1730 5.442008  2.718781       7.702926  
1 1 1 5   2  11 o 174.4997 1.020697  15602.43   182.5114 15456.50  361.9000 15750.90   368.2000 173.6613 2.033701  175.3069 2.049681  -1.645630      2.887409  
1 1 1 5   2  12 o 271.3726 1.556655  37738.79   432.8692 37955.10  873.1000 37526.10   858.5000 272.0656 3.131785  270.5261 3.096940  1.539490       4.404443  
1 1 1 5   2  13 o 358.3457 2.020621  65817.23   741.9686 64842.40  1459.600 66825.10   1509.100 355.4821 4.006985  360.8658 4.081068  -5.383728      5.719357  
1 1 1 5   2  14 o 306.3857 1.735258  48112.23   544.7922 48045.50  1081.200 48180.00   1098.100 306.0173 3.447956  306.4394 3.497027  -0.4220581     4.910967  
1 1 1 5   2  15 o 155.1610 0.9320920 12336.35   148.1971 12382.60  297.7000 12290.50   295.1000 155.4231 1.869240  154.8444 1.859839  0.5786896      2.636866  
1 1 1 5   2  16 o 197.2734 1.170965  19943.78   236.7068 20541.40  479.9000 19362.10   467.1000 200.1369 2.340051  194.3065 2.345980  5.830399       3.313526  
1 1 1 5   2  17 o 156.5419 0.9465070 12557.72   151.8283 12284.10  297.2000 12843.50   310.4000 154.7847 1.873797  158.2673 1.913957  -3.482574      2.678497  
1 1 1 5   2  18 o 148.6867 0.9357079 11329.32   142.5643 11972.20  294.2000 10724.90   276.6000 152.7985 1.878993  144.6210 1.866477  8.177551       2.648462  
1 1 1 5   2  19 o 93.81979 0.6224203 4510.243   59.83793 4528.600  121.4000 4492.400   118.0000 93.99623 1.260404  93.62070 1.230019  0.3755341      1.761126  
1 1 1 5   2  20 o 198.2091 1.165630  20136.10   236.7460 19051.90  444.6000 21371.00   506.4000 192.7023 2.251563  204.0721 2.421652  -11.36972      3.306650  
1 1 1 5   2  21 o 143.4901 0.8906049 10551.40   130.9499 10488.50  261.7000 10614.40   262.1000 143.0129 1.785789  143.8692 1.777873  -0.8563538     2.519896  
1 1 1 5   2  22 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 5   2  23 o 38.57026 0.8729075 0.000000   0.000000 ?         ?        762.4000   34.50000 ?        ?         38.57026 0.8729075 0.000000       0.8729075 
1 1 1 5   2  24 o 78.89397 0.5595006 3189.399   45.23168 3012.800  84.60000 3392.300   97.20000 76.66607 1.076884  81.34827 1.166056  -4.682205      1.587251  
1 1 1 5   2  25 o 81.94856 0.5647194 3441.232   47.42119 3387.000  95.70000 3494.500   94.00000 81.28181 1.149001  82.56324 1.111073  -1.281433      1.598339  
1 1 1 5   2  26 o 75.83369 0.5470932 2946.896   42.51301 2785.000  78.10000 3140.300   93.30000 73.70548 1.034077  78.25977 1.163442  -4.554291      1.556571  
1 1 1 5   2  27 o 129.1643 0.8011138 8551.511   106.0315 8727.200  214.9000 8380.400   209.3000 130.3982 1.608298  127.7824 1.598453  2.615768       2.267526  
1 1 1 5   2  28 o 81.77870 0.5534064 3427.412   46.37488 3465.600  92.60000 3389.100   92.90000 82.20028 1.099358  81.28671 1.115316  0.9135742      1.566052  
1 1 1 5   2  29 o 109.2204 0.7095664 6115.328   79.41363 6202.300  162.3000 6032.000   155.5000 109.8979 1.441222  108.3857 1.400103  1.512215       2.009331  
1 1 1 5   2  30 o 98.93990 0.6350797 5018.194   64.38698 5350.600  134.4000 4712.500   123.6000 102.0784 1.284893  95.80269 1.259048  6.275749       1.798931  
1 1 1 5   3  0  o 105.0778 0.8720193 5657.595   93.89348 5856.100  207.2000 5493.100   171.7000 106.8863 1.891774  103.5268 1.618524  3.359489       2.489664  
1 1 1 5   3  1  o 16.79371 0.3486633 144.5000   6.000000 144.5000  6.000000 ?          ?        16.79371 0.3486633 ?        ?         0.000000       0.3486633 
1 1 1 5   3  2  o 164.0142 2.484144  13791.50   417.5000 13791.50  417.5000 ?          ?        164.0142 2.484144  ?        ?         0.000000       2.484144  
1 1 1 5   3  3  o 242.8935 3.679882  30264.90   915.9000 30264.90  915.9000 ?          ?        242.8935 3.679882  ?        ?         0.000000       3.679882  
1 1 1 5   3  4  o 154.2917 2.373131  12202.50   375.2000 12202.50  375.2000 ?          ?        154.2917 2.373131  ?        ?         0.000000       2.373131  
1 1 1 5   3  5  o 121.0012 1.897727  7503.400   235.3000 7503.400  235.3000 ?          ?        121.0012 1.897727  ?        ?         0.000000       1.897727  
1 1 1 5   3  6  o 15.64412 0.3337797 125.3932   5.350685 135.5000  9.300000 111.7000   12.60000 16.25265 0.5592527 14.74119 0.8375879 1.511455       1.007133  
1 1 1 5   3  7  o 28.85378 0.4611910 426.5598   13.63584 719.9000  42.40000 287.5000   20.10000 37.46671 1.105598  23.67327 0.8298730 13.79344       1.382402  
1 1 1 5   3  8  o 248.8484 1.627704  31733.38   415.0577 31998.40  722.5000 31375.60   975.4000 249.8401 2.822132  247.3391 3.848501  2.501007       4.772357  
1 1 1 5   3  9  o 296.2480 1.925254  44977.43   584.4427 45508.80  1015.800 44257.50   1376.300 297.9142 3.327504  293.6865 4.573311  4.227722       5.655746  
1 1 1 5   3  10 o 440.3430 2.840866  99407.08   1281.859 99374.80  2197.300 99452.30   3076.800 440.0093 4.873367  439.7991 6.827261  0.2102051      8.388159  
1 1 1 5   3  11 o 81.34594 0.6441500 3390.431   53.69344 3245.700  122.0000 3504.200   95.90000 79.58479 1.495999  82.69655 1.131704  -3.111763      1.875838  
1 1 1 5   3  12 f 353.4471 1.990297  64028.57   720.8428 63122.10  1410.300 64976.30   1474.500 350.7539 3.923834  355.8528 4.043673  -5.098938      5.634515  
1 1 1 5   3  13 o 288.8042 1.643061  42746.74   486.2454 42987.20  969.5000 42504.80   975.5000 289.4895 3.268260  287.8566 3.307141  1.632904       4.649591  
1 1 1 5   3  14 o 95.53443 0.6442795 4676.404   63.07142 4823.100  127.1000 4531.900   125.2000 97.01346 1.278543  94.03888 1.299267  2.974579       1.822846  
1 1 1 5   3  15 o 237.0432 1.370580  28797.41   332.9126 28349.30  650.4000 29267.30   682.0000 235.0902 2.699900  238.8571 2.786428  -3.766937      3.879902  
1 1 1 5   3  16 o 37.26867 0.3638959 711.6514   13.89695 690.4000  26.60000 734.9000   29.10000 36.70667 0.7071935 37.87094 0.7498745 -1.164268      1.030745  
1 1 1 5   3  17 o 102.0776 0.6576927 5339.155   68.79420 5593.600  143.2000 5103.900   132.4000 104.4652 1.337743  99.78903 1.294812  4.676208       1.861745  
1 1 1 5   3  18 f 108.2975 0.6978312 6009.775   77.44035 6116.300  159.3000 5909.000   150.7000 109.2322 1.423202  107.3672 1.369757  1.865074       1.975282  
1 1 1 5   3  19 o 112.1914 0.7135246 6449.803   82.02892 6874.900  171.9000 6061.800   156.9000 115.8052 1.448603  108.7433 1.408063  7.061943       2.020171  
1 1 1 5   3  20 o 112.2243 0.7059510 6453.608   81.18203 6388.400  157.8000 6522.700   167.2000 111.6341 1.379469  112.7984 1.446555  -1.164337      1.998863  
1 1 1 5   3  21 o 92.65077 0.6103443 4398.599   57.94584 4085.300  106.5000 4772.500   127.1000 89.27720 1.164155  96.49003 1.285478  -7.212830      1.734275  
1 1 1 5   3  22 o 142.8020 0.8726791 10450.63   127.6989 10242.20  251.8000 10665.10   259.1000 141.3199 1.738817  144.2068 1.753410  -2.886856      2.469399  
1 1 1 5   3  23 o 136.9905 0.8475860 9617.468   118.9796 9271.900  228.7000 9992.200   248.0000 134.4581 1.659896  139.5769 1.733962  -5.118851      2.400392  
1 1 1 5   3  24 o 51.18224 0.4256702 1342.271   22.32497 1368.000  44.70000 1316.600   44.60000 51.66462 0.8443372 50.68446 0.8587398 0.9801559      1.204300  
1 1 1 5   3  25 o 121.8269 0.7870755 7606.538   98.25576 7803.100  199.3000 7415.400   193.8000 123.3345 1.576974  120.2318 1.573026  3.102631       2.227388  
1 1 1 5   3  26 o 48.48377 0.4276654 1204.506   21.24706 1209.200  42.00000 1199.700   43.00000 48.57042 0.8438769 48.37865 0.8673938 0.1917610      1.210165  
1 1 1 5   3  27 o 52.24125 0.4207276 1398.470   22.52231 1251.000  39.50000 1594.100   52.40000 49.40210 0.7802851 55.76180 0.9170566 -6.359699      1.204092  
1 1 1 5   3  28 o 41.45969 0.4717021 880.8756   20.03974 867.9000  31.90000 902.8000   53.90000 41.14618 0.7565939 41.92606 1.256019  -0.7798805     1.466294  
1 1 1 5   3  29 o 81.14797 0.5528268 3375.086   45.96901 3291.600  90.90000 3460.500   93.00000 80.09328 1.107565  82.12274 1.105150  -2.029457      1.564627  
1 1 1 5   3  30 f 53.17611 0.4431095 1449.180   24.14493 1461.400  47.60000 1436.600   49.00000 53.37863 0.8702442 52.92156 0.9035768 0.4570732      1.254502  
1 1 1 5   4  0  o 89.85065 0.6487859 4136.438   59.73392 4493.100  168.3000 3940.200   92.60000 93.63361 1.754099  87.69104 1.030522  5.942566       2.034414  
1 1 1 5   4  1  o 28.71777 0.8095831 0.000000   0.000000 ?         ?        422.9000   23.80000 ?        ?         28.71777 0.8095831 0.000000       0.8095831 
1 1 1 5   4  2  o 66.34542 1.013468  0.000000   0.000000 ?         ?        2255.400   68.90000 ?        ?         66.34542 1.013468  0.000000       1.013468  
1 1 1 5   4  3  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 5   4  4  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 5   4  5  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 5   4  6  o 323.9166 2.458467  53779.01   816.0109 54286.00  1643.400 53279.00   1620.800 325.2386 4.931089  322.2102 4.908986  3.028320       6.958002  
1 1 1 5   4  7  o 435.0273 3.303230  97037.22   1472.495 94712.60  2872.800 99481.70   3020.900 429.3010 6.530480  439.9415 6.701053  -10.64044      9.356884  
1 1 1 5   4  8  o 171.7222 1.335221  15110.49   234.9514 13959.70  433.7000 16470.90   512.7000 165.0245 2.564735  179.2461 2.791356  -14.22156      3.790717  
1 1 1 5   4  9  o 218.8161 1.438343  24535.65   322.5077 24554.40  557.3000 24509.90   765.5000 218.8645 2.484937  218.6189 3.417111  0.2455597      4.225111  
1 1 1 5   4  10 o 65.05275 0.5063268 2168.249   33.75164 2242.900  60.40000 2073.700   76.50000 66.16162 0.8909072 63.61556 1.173545  2.546059       1.473405  
1 1 1 5   4  11 o 17.33121 0.5561072 154.0584   9.863320 142.1000  12.90000 192.9000   41.90000 16.63604 0.7587280 19.27918 2.157912  -2.643139      2.287411  
1 1 1 5   4  12 o 205.7217 1.357462  21687.90   286.1583 21537.30  490.7000 21898.60   686.5000 204.9651 2.336349  206.6192 3.242437  -1.654099      3.996489  
1 1 1 5   4  13 o 123.2221 0.8832301 7780.202   111.5221 7672.700  186.5000 7940.100   277.4000 122.3562 1.487492  124.4491 2.175285  -2.092964      2.635241  
1 1 1 5   4  14 o 62.13600 0.4429332 1978.193   28.20200 1687.100  49.30000 2367.300   65.90000 57.38018 0.8384683 67.96909 0.9461840 -10.58892      1.264236  
1 1 1 5   4  15 o 150.2752 0.9047703 11572.08   139.3234 11844.80  277.7000 11297.50   279.6000 152.0010 1.782917  148.4449 1.838118  3.556076       2.560756  
1 1 1 5   4  16 o 138.9406 0.8460658 9892.308   120.4569 10193.50  243.9000 9598.400   238.0000 141.0058 1.688016  136.8274 1.697483  4.178360       2.393919  
1 1 1 5   4  17 o 95.98545 0.6223846 4720.861   61.21567 4537.800  119.6000 4912.800   125.4000 94.09251 1.240446  97.90293 1.249981  -3.810417      1.761011  
1 1 1 5   4  18 o 79.80078 0.5462976 3262.999   44.67194 3615.500  96.20000 2957.400   83.40000 83.99017 1.117759  75.96352 1.071427  8.026642       1.548335  
1 1 1 5   4  19 o 81.86732 0.5630187 3434.219   47.23150 3422.800  98.20000 3444.800   91.00000 81.71902 1.172708  81.98354 1.083219  -0.2645111     1.596436  
1 1 1 5   4  20 o 34.56257 0.3570740 612.0639   12.64627 495.7000  23.20000 751.5000   27.80000 31.10222 0.7279443 38.29555 0.7084320 -7.193325      1.015765  
1 1 1 5   4  21 o 116.5699 0.7592881 6963.376   90.69667 6869.200  180.3000 7058.700   182.5000 115.7473 1.520150  117.3332 1.517902  -1.585815      2.148227  
1 1 1 5   4  22 o 62.63691 0.4688686 2010.304   30.09400 1817.100  54.70000 2246.600   66.90000 59.54502 0.8964860 66.20737 0.9861010 -6.662354      1.332697  
1 1 1 5   4  23 o 64.58797 0.4683749 2137.518   30.99871 2134.800  62.40000 2140.200   61.60000 64.53828 0.9435585 64.62018 0.9302811 -0.8190155E-01 1.325038  
1 1 1 5   4  24 o 73.53462 0.5107853 2770.797   38.48829 2599.400  72.30000 2965.900   82.30000 71.21207 0.9908007 76.06448 1.055892  -4.852409      1.447962  
1 1 1 5   4  25 o 72.17638 0.5054283 2669.445   37.38118 2670.300  71.20000 2668.500   78.70000 72.17434 0.9627174 72.14584 1.064548  0.2850342E-01  1.435300  
1 1 1 5   4  26 o 52.47908 0.4021083 1411.201   21.62358 1386.200  43.60000 1435.800   42.90000 52.00311 0.8181987 52.92610 0.7910230 -0.9229889     1.138054  
1 1 1 5   4  27 o 38.48428 0.3828038 758.9105   15.09586 762.5000  29.70000 755.2000   30.70000 38.56814 0.7515007 38.38233 0.7805644 0.1858101      1.083529  
1 1 1 5   4  28 o 24.47979 0.3676790 307.0777   9.223056 387.6000  20.60000 241.8000   16.70000 27.48691 0.7320313 21.70445 0.7520139 5.782461       1.049474  
1 1 1 5   4  29 o 44.15002 0.4486449 998.9583   20.29701 996.8000  34.70000 1002.000   48.90000 44.09084 0.7680381 44.18866 1.079940  -0.9781647E-01 1.325199  
1 1 1 5   5  0  o 176.7232 1.046235  16002.49   189.4615 16382.60  557.1000 15806.60   287.1000 178.7605 3.041328  175.6296 1.595281  3.130905       3.434326  
1 1 1 5   5  1  o 221.4333 3.589190  0.000000   0.000000 ?         ?        25143.80   814.4000 ?        ?         221.4333 3.589190  0.000000       3.589190  
1 1 1 5   5  2  o 165.7579 1.992313  0.000000   0.000000 ?         ?        14081.00   338.4000 ?        ?         165.7579 1.992313  0.000000       1.992313  
1 1 1 5   5  3  o 372.4068 4.214811  0.000000   0.000000 ?         ?        71143.20   1608.400 ?        ?         372.4068 4.214811  0.000000       4.214811  
1 1 1 5   5  4  o 235.2626 2.712854  0.000000   0.000000 ?         ?        28372.70   654.0000 ?        ?         235.2626 2.712854  0.000000       2.712854  
1 1 1 5   5  5  o 265.8943 3.052892  0.000000   0.000000 ?         ?        36247.90   831.8000 ?        ?         265.8943 3.052892  0.000000       3.052892  
1 1 1 5   5  6  o 44.11569 1.140197  0.000000   0.000000 ?         ?        997.9000   51.50000 ?        ?         44.11569 1.140197  0.000000       1.140197  
1 1 1 5   5  7  o 411.2082 3.106121  86701.09   1308.816 82742.30  2499.900 91051.20   2747.000 401.2761 6.079684  420.8820 6.369421  -19.60590      8.805230  
1 1 1 5   5  8  o 455.7058 3.451547  106505.9   1611.746 103422.0  3128.000 109784.0   3325.000 448.4100 6.807586  461.9379 7.024407  -13.52795      9.781898  
1 1 1 5   5  9  o 229.1390 1.762001  26908.51   413.7171 25424.20  781.9000 28576.40   878.6000 222.6416 3.427256  236.0248 3.632747  -13.38319      4.994290  
1 1 1 5   5  10 o 61.00963 0.4768447 1907.109   29.81081 1886.900  52.90000 1933.200   68.30000 60.68398 0.8507134 61.42255 1.085162  -0.7385712     1.378873  
1 1 1 5   5  11 o 248.5667 1.614533  31665.91   411.2332 30343.40  679.0000 33697.00   1042.800 243.2495 2.724077  256.2094 3.971986  -12.95984      4.816354  
1 1 1 5   5  12 o 68.35524 0.5226631 2394.027   36.60935 2447.300  63.80000 2322.300   85.90000 69.10893 0.9009238 67.31731 1.245283  1.791618       1.537008  
1 1 1 5   5  13 o 107.7053 0.7685962 5944.099   84.82693 6178.800  154.1000 5656.700   188.7000 109.7991 1.369637  105.0472 1.753029  4.751938       2.224638  
1 1 1 5   5  14 o 88.23156 0.6656299 3988.919   60.18041 3997.900  103.7000 3976.500   143.4000 88.32306 1.145793  88.07556 1.588896  0.2474976      1.958936  
1 1 1 5   5  15 o 61.93165 0.5483867 1965.279   34.80149 1945.200  63.30000 1989.800   77.30000 61.60935 1.002672  62.30828 1.210697  -0.6989288     1.571985  
1 1 1 5   5  16 o 134.5108 0.9476470 9272.188   130.6178 9278.500  223.4000 9263.300   314.5000 134.5270 1.620597  134.3725 2.284082  0.1544952      2.800601  
1 1 1 5   5  17 o 127.8863 0.7811558 8380.833   102.3670 8876.300  213.1000 7922.800   197.0000 131.5789 1.580516  124.3128 1.546507  7.266098       2.211270  
1 1 1 5   5  18 o 158.0210 0.9535149 12797.06   154.3977 12872.10  310.0000 12722.60   307.6000 158.4221 1.909622  157.4998 1.905935  0.9223480      2.698008  
1 1 1 5   5  19 o 166.4825 0.9906873 14204.71   169.0065 15049.00  357.8000 13448.90   320.3000 171.2778 2.038641  161.9267 1.930368  9.351120       2.807557  
1 1 1 5   5  20 o 57.52426 0.4547375 1695.504   26.80465 1652.000  51.00000 1743.700   56.50000 56.77641 0.8766049 58.32975 0.9452788 -1.553345      1.289181  
1 1 1 5   5  21 o 96.94668 0.6298638 4816.072   62.57170 4417.200  113.4000 5307.100   139.6000 92.82911 1.192149  101.7447 1.338983  -8.915611      1.792790  
1 1 1 5   5  22 o 222.4622 1.301284  25372.84   296.6381 25112.90  580.8000 25644.20   606.3000 221.1086 2.563437  223.4160 2.648348  -2.307358      3.685777  
1 1 1 5   5  23 o 75.17584 0.5116445 2895.856   39.41350 3017.600  81.30000 2781.300   76.50000 76.72564 1.034074  73.66103 1.013504  3.064613       1.447929  
1 1 1 5   5  24 o 66.70080 0.4927933 2279.751   33.68171 2334.800  71.10000 2230.200   64.00000 67.48646 1.028146  65.96028 0.9468890 1.526176       1.397742  
1 1 1 5   5  25 o 99.79823 0.6452478 5104.252   65.98537 4818.600  125.7000 5419.900   138.9000 96.92796 1.265575  102.7933 1.318679  -5.865341      1.827729  
1 1 1 5   5  26 o 12.55409 0.5996619 80.95714   7.691883 76.70000  14.90000 85.50000   15.90000 12.16810 1.211053  12.85254 1.221969  -0.6844416     1.720424  
1 1 1 5   5  27 o 85.82713 0.6489797 3775.798   57.07607 3830.400  98.30000 3700.200   136.1000 86.40887 1.110189  84.87374 1.564899  1.535133       1.918705  
1 1 1 5   5  28 o 84.77697 0.6603180 3684.408   57.36267 3788.800  99.80000 3543.300   134.9000 85.92274 1.133507  83.02688 1.585604  2.895859       1.949097  
1 1 1 5   5  29 o 27.24275 0.6662904 380.5000   18.60000 380.5000  18.60000 ?          ?        27.24275 0.6662904 ?        ?         0.000000       0.6662904 
1 1 1 5   6  0  o 74.45815 0.7300366 0.000000   0.000000 ?         ?        2840.600   55.70000 ?        ?         74.45815 0.7300366 0.000000       0.7300366 
1 1 1 5   6  1  o 344.9355 3.060629  0.000000   0.000000 ?         ?        61003.00   1081.800 ?        ?         344.9355 3.060629  0.000000       3.060629  
1 1 1 5   6  2  o 259.3129 2.935808  0.000000   0.000000 ?         ?        34474.90   780.1000 ?        ?         259.3129 2.935808  0.000000       2.935808  
1 1 1 5   6  3  f 213.7792 2.524418  0.000000   0.000000 ?         ?        23427.00   553.0000 ?        ?         213.7792 2.524418  0.000000       2.524418  
1 1 1 5   6  4  o 214.1804 2.512855  0.000000   0.000000 ?         ?        23515.30   551.5000 ?        ?         214.1804 2.512855  0.000000       2.512855  
1 1 1 5   6  5  o 217.8020 2.526631  0.000000   0.000000 ?         ?        24317.90   563.9000 ?        ?         217.8020 2.526631  0.000000       2.526631  
1 1 1 5   6  6  o 167.2081 2.005967  0.000000   0.000000 ?         ?        14329.80   343.7000 ?        ?         167.2081 2.005967  0.000000       2.005967  
1 1 1 5   6  7  o 44.81037 1.071490  0.000000   0.000000 ?         ?        1028.900   49.20000 ?        ?         44.81037 1.071490  0.000000       1.071490  
1 1 1 5   6  8  o 80.76411 0.5124737 3342.084   42.41196 3873.900  122.4000 3060.100   64.90000 86.94530 1.373842  77.28016 0.8195555 9.665146       1.599723  
1 1 1 5   6  9  o 127.9679 0.8531269 8390.917   111.8699 8277.300  256.5000 8478.800   198.4000 127.0739 1.969847  128.6241 1.505292  -1.550201      2.479153  
1 1 1 5   6  10 o 120.2630 1.023367  7411.341   126.1135 6891.300  240.3000 7985.700   265.4000 115.9419 2.022623  124.8072 2.075213  -8.865318      2.897846  
1 1 1 5   6  11 o 99.26498 0.8105973 5049.021   82.45169 4951.200  158.2000 5155.500   172.2000 98.28410 1.570814  100.2885 1.675650  -2.004440      2.296794  
1 1 1 5   6  12 o 25.39636 0.3161648 330.4607   8.227795 366.7000  15.30000 288.3000   17.80000 26.75213 0.5581292 23.70872 0.7335613 3.043411       0.9217486 
1 1 1 5   6  13 o 53.87112 0.4583886 1486.965   25.30395 1447.100  43.60000 1542.100   60.30000 53.14152 0.8006711 54.85500 1.072760  -1.713478      1.338615  
1 1 1 5   6  14 o 102.1742 0.7358907 5349.455   77.04649 5441.600  135.5000 5228.000   178.6000 103.0361 1.283369  100.9767 1.726084  2.059380       2.150907  
1 1 1 5   6  15 f 109.1880 0.7843581 6109.265   87.75822 6083.300  150.3000 6145.700   210.9000 108.9385 1.346416  109.4710 1.880093  -0.5324249     2.312484  
1 1 1 5   6  16 f 269.4892 1.771590  37241.89   489.2188 35576.10  808.0000 39798.30   1240.000 263.1790 2.996138  277.9724 4.353330  -14.79343      5.284725  
1 1 1 5   6  17 o 146.1840 1.002452  10952.05   150.1626 10730.10  254.2000 11272.40   366.9000 144.6544 1.714927  148.2022 2.415987  -3.547867      2.962763  
1 1 1 5   6  18 o 69.14307 0.5578300 2449.668   39.52291 2339.900  66.70000 2609.300   97.00000 67.56981 0.9633293 71.34452 1.326822  -3.774712      1.639653  
1 1 1 5   6  19 o 236.2817 1.583953  28627.52   383.5047 28505.80  657.8000 28797.70   919.7000 235.5901 2.724823  236.5250 3.794642  -0.9348602     4.671613  
1 1 1 5   6  20 o 58.39648 0.4378249 1747.313   26.19905 1758.500  50.80000 1735.400   54.10000 58.57773 0.8463165 58.19062 0.9072894 0.3871040      1.240736  
1 1 1 5   6  21 o 123.8068 0.7765097 7855.293   98.51215 7885.100  194.8000 7824.800   199.3000 123.9980 1.533119  123.5198 1.574607  0.4782104      2.197690  
1 1 1 5   6  22 o 24.15301 0.3497125 298.9066   8.655272 236.2000  15.50000 378.2000   19.60000 21.45708 0.7059180 27.15690 0.7049281 -5.699818      0.9976190 
1 1 1 5   6  23 o 89.21831 0.6085359 4079.097   55.63378 4041.500  109.4000 4118.000   113.2000 88.78016 1.202550  89.61466 1.232733  -0.8345032     1.722137  
1 1 1 5   6  24 o 65.05927 0.4562587 2168.931   30.41716 2234.000  62.90000 2108.000   58.90000 66.01379 0.9298601 64.12643 0.8963546 1.887360       1.291546  
1 1 1 5   6  25 o 36.07263 0.4312461 666.7900   15.94048 678.9000  26.00000 647.6000   41.20000 36.39434 0.6971740 35.51604 1.133524  0.8782959      1.330762  
1 1 1 5   6  26 o 32.35921 0.6401358 536.7199   21.22601 496.6000  35.10000 598.1000   53.70000 31.09386 1.103375  34.09039 1.541234  -2.996525      1.895478  
1 1 1 5   6  27 o 42.08907 0.7651494 908.3000   33.00000 908.3000  33.00000 ?          ?        42.08907 0.7651494 ?        ?         0.000000       0.7651494 
1 1 1 5   6  28 o 20.55094 0.6132616 216.7000   12.90000 216.7000  12.90000 ?          ?        20.55094 0.6132616 ?        ?         0.000000       0.6132616 
1 1 1 5   7  0  o 102.8681 0.9894761 0.000000   0.000000 ?         ?        5422.100   104.3000 ?        ?         102.8681 0.9894761 0.000000       0.9894761 
1 1 1 5   7  1  o 56.31323 0.5181582 0.000000   0.000000 ?         ?        1624.800   29.90000 ?        ?         56.31323 0.5181582 0.000000       0.5181582 
1 1 1 5   7  2  o 200.3846 1.580345  0.000000   0.000000 ?         ?        20577.80   324.5000 ?        ?         200.3846 1.580345  0.000000       1.580345  
1 1 1 5   7  3  o 99.26101 0.8140541 0.000000   0.000000 ?         ?        5048.400   82.80000 ?        ?         99.26101 0.8140541 0.000000       0.8140541 
1 1 1 5   7  4  o 40.39760 0.8285909 0.000000   0.000000 ?         ?        836.2000   34.30000 ?        ?         40.39760 0.8285909 0.000000       0.8285909 
1 1 1 5   7  5  o 61.23740 0.8892401 0.000000   0.000000 ?         ?        1921.500   55.80000 ?        ?         61.23740 0.8892401 0.000000       0.8892401 
1 1 1 5   7  6  o 139.8089 1.750630  0.000000   0.000000 ?         ?        10018.50   250.8000 ?        ?         139.8089 1.750630  0.000000       1.750630  
1 1 1 5   7  7  o 172.8228 2.050344  0.000000   0.000000 ?         ?        15311.70   363.1000 ?        ?         172.8228 2.050344  0.000000       2.050344  
1 1 1 5   7  8  o 247.4689 2.276972  0.000000   0.000000 ?         ?        31402.10   577.4000 ?        ?         247.4689 2.276972  0.000000       2.276972  
1 1 1 5   7  9  o 275.1495 1.557011  38805.22   438.9943 39115.50  1190.600 38624.00   695.4000 275.8779 4.211633  274.4177 2.473001  1.460266       4.884014  
1 1 1 5   7  10 o 70.08910 0.5095995 2517.051   36.59973 2364.800  78.20000 2651.000   68.80000 67.92945 1.123441  71.92548 0.9334850 -3.996025      1.460655  
1 1 1 5   7  11 o 182.7246 1.197363  17112.17   224.1926 17618.40  547.2000 16760.80   379.8000 185.2622 2.882445  180.7817 2.050228  4.480438       3.537219  
1 1 1 5   7  12 o 54.55082 0.4338592 1524.725   24.25205 1487.000  52.60000 1557.000   45.00000 53.86680 0.9529414 55.12201 0.7966895 -1.255211      1.242100  
1 1 1 5   7  13 o 126.0338 0.8722553 8140.122   112.6494 8430.700  274.2000 7937.500   191.2000 128.2019 2.087251  124.4305 1.499556  3.771355       2.570075  
1 1 1 5   7  14 o 10.21484 0.5938132 53.64618   6.188755 76.60000  11.50000 26.90000   13.40000 12.19061 0.9275700 7.109015 1.829014  5.081594       2.050776  
1 1 1 5   7  15 o 23.09842 0.3687544 273.3698   8.728065 248.9000  14.30000 311.7000   22.40000 22.03042 0.6341136 24.64631 0.8884004 -2.615896      1.091492  
1 1 1 5   7  16 o 147.7230 1.015857  11184.14   153.7726 10616.80  252.0000 12072.30   394.5000 143.8857 1.709167  153.3524 2.510488  -9.466644      3.037071  
1 1 1 5   7  17 o 31.18787 0.3729987 498.3784   11.92041 427.9000  21.10000 589.9000   27.40000 28.89691 0.7125784 33.92826 0.7881168 -5.031347      1.062495  
1 1 1 5   7  18 o 89.73007 0.6544258 4125.800   60.17233 4140.100  105.7000 4106.900   139.7000 89.87178 1.147766  89.49534 1.523343  0.3764420      1.907338  
1 1 1 5   7  19 o 138.5638 0.9556090 9840.487   135.6840 9572.600  226.1000 10242.50   339.3000 136.6215 1.615040  141.2449 2.344298  -4.623398      2.846768  
1 1 1 5   7  20 o 19.99649 0.4391218 204.8858   8.997820 217.5000  15.80000 188.2000   20.90000 20.58758 0.7502053 19.13118 1.070388  1.456398       1.307111  
1 1 1 5   7  21 o 62.86391 0.5052810 2025.002   32.54863 2153.000  59.00000 1867.500   72.60000 64.81178 0.8883820 60.35311 1.173920  4.458668       1.472179  
1 1 1 5   7  22 o 54.70991 0.4004226 1533.700   22.44828 1535.100  43.40000 1532.200   46.50000 54.72797 0.7738950 54.67484 0.8299789 0.5313492E-01  1.134803  
1 1 1 5   7  23 o 78.31106 0.6269000 3142.905   50.30599 3308.700  84.60000 2899.700   124.1000 80.33183 1.027743  75.16351 1.611263  5.168320       1.911131  
1 1 1 5   7  24 o 25.82119 0.4268196 341.6546   11.29325 339.7000  17.70000 345.1000   31.20000 25.73557 0.6717576 25.91130 1.178161  -0.1757336     1.356216  
1 1 1 5   7  25 o 88.77254 0.6889892 4039.658   62.67429 4222.600  107.4000 3783.300   150.5000 90.71899 1.155334  85.79787 1.711834  4.921120       2.065229  
1 1 1 5   7  26 f 58.73892 0.7958133 1769.200   47.90000 1769.200  47.90000 ?          ?        58.73892 0.7958133 ?        ?         0.000000       0.7958133 
1 1 1 5   7  27 f 33.55132 0.6340864 577.1000   21.80000 577.1000  21.80000 ?          ?        33.55132 0.6340864 ?        ?         0.000000       0.6340864 
1 1 1 5   8  0  o 341.2356 2.654824  0.000000   0.000000 ?         ?        59712.90   928.3000 ?        ?         341.2356 2.654824  0.000000       2.654824  
1 1 1 5   8  1  o 48.52576 0.4967367 0.000000   0.000000 ?         ?        1206.500   24.70000 ?        ?         48.52576 0.4967367 0.000000       0.4967367 
1 1 1 5   8  2  o 94.80074 0.7895603 0.000000   0.000000 ?         ?        4605.000   76.70000 ?        ?         94.80074 0.7895603 0.000000       0.7895603 
1 1 1 5   8  3  o 199.2850 1.567029  0.000000   0.000000 ?         ?        20355.20   320.0000 ?        ?         199.2850 1.567029  0.000000       1.567029  
1 1 1 5   8  4  o 214.0359 1.687006  0.000000   0.000000 ?         ?        23482.10   370.0000 ?        ?         214.0359 1.687006  0.000000       1.687006  
1 1 1 5   8  5  o 120.8078 0.9944080 0.000000   0.000000 ?         ?        7478.800   123.1000 ?        ?         120.8078 0.9944080 0.000000       0.9944080 
1 1 1 5   8  6  o 145.6360 1.174667  0.000000   0.000000 ?         ?        10869.70   175.3000 ?        ?         145.6360 1.174667  0.000000       1.174667  
1 1 1 5   8  7  o 6.986434 0.8709314 0.000000   0.000000 ?         ?        25.40000   6.100000 ?        ?         6.986434 0.8709314 0.000000       0.8709314 
1 1 1 5   8  8  o 125.2486 1.047975  0.000000   0.000000 ?         ?        8039.400   134.5000 ?        ?         125.2486 1.047975  0.000000       1.047975  
1 1 1 5   8  9  o 11.43473 1.449221  0.000000   0.000000 ?         ?        68.10000   16.60000 ?        ?         11.43473 1.449221  0.000000       1.449221  
1 1 1 5   8  10 o 234.8390 1.357340  28269.93   326.6309 26963.10  830.9000 29116.40   538.2000 229.0170 3.540647  238.2321 2.204678  -9.215012      4.170945  
1 1 1 5   8  11 o 95.67432 0.6020771 4690.327   59.02634 4955.100  157.8000 4532.100   94.30000 98.30908 1.566445  94.03893 0.9786011 4.270157       1.847000  
1 1 1 5   8  12 o 67.74473 0.4892821 2351.525   33.96513 2171.200  71.50000 2514.700   64.70000 65.08684 1.072049  70.04992 0.9013600 -4.963081      1.400621  
1 1 1 5   8  13 o 82.00541 0.5815576 3445.863   48.86902 3410.700  111.5000 3473.300   87.00000 81.56806 1.334002  82.32216 1.031345  -0.7540970     1.686189  
1 1 1 5   8  14 o 57.09259 0.4383566 1670.145   25.64518 1538.300  53.10000 1793.300   49.60000 54.78671 0.9458470 59.15569 0.8182514 -4.368980      1.250665  
1 1 1 5   8  15 o 95.84151 0.6809352 4706.974   66.87408 4617.300  153.5000 4776.200   118.5000 94.89262 1.578620  96.52834 1.198023  -1.635719      1.981742  
1 1 1 5   8  16 o 109.4485 0.7479464 6138.644   83.88393 6471.100  205.8000 5909.900   141.6000 112.3219 1.788062  107.3696 1.287015  4.952316       2.203083  
1 1 1 5   8  17 o 105.6490 0.6465784 5719.599   69.99786 5490.800  135.5000 5964.100   144.8000 103.4912 1.277726  107.8577 1.310143  -4.366562      1.830043  
1 1 1 5   8  18 o 54.00613 0.4480365 1494.482   24.79447 1373.000  40.20000 1690.000   64.70000 51.76064 0.7579283 57.41837 1.099651  -5.657734      1.335548  
1 1 1 5   8  19 o 72.83749 0.5573462 2718.583   41.59857 2779.600  76.00000 2644.800   91.90000 73.63803 1.007194  71.82095 1.248723  1.817078       1.604290  
1 1 1 5   8  20 o 74.29581 1.027174  2829.700   78.20000 2829.700  78.20000 ?          ?        74.29581 1.027174  ?        ?         0.000000       1.027174  
1 1 1 5   8  21 o 98.34952 1.226444  4960.500   123.6000 4960.500  123.6000 ?          ?        98.34952 1.226444  ?        ?         0.000000       1.226444  
1 1 1 5   8  22 o 63.93652 0.8623847 2095.600   56.50000 2095.600  56.50000 ?          ?        63.93652 0.8623847 ?        ?         0.000000       0.8623847 
1 1 1 5   8  23 o 63.90358 0.8613022 2093.700   56.40000 2093.700  56.40000 ?          ?        63.90358 0.8613022 ?        ?         0.000000       0.8613022 
1 1 1 5   8  24 o 80.47160 1.036872  3321.900   85.50000 3321.900  85.50000 ?          ?        80.47160 1.036872  ?        ?         0.000000       1.036872  
1 1 1 5   8  25 o 62.13190 0.8418831 1979.800   53.60000 1979.800  53.60000 ?          ?        62.13190 0.8418831 ?        ?         0.000000       0.8418831 
1 1 1 5   8  26 o 70.32408 1.620841  2544.300   116.8000 2544.300  116.8000 ?          ?        70.32408 1.620841  ?        ?         0.000000       1.620841  
1 1 1 5   9  0  o 149.4671 1.233354  0.000000   0.000000 ?         ?        11449.70   188.9000 ?        ?         149.4671 1.233354  0.000000       1.233354  
1 1 1 5   9  1  o 131.3133 1.095445  0.000000   0.000000 ?         ?        8836.800   147.4000 ?        ?         131.3133 1.095445  0.000000       1.095445  
1 1 1 5   9  2  o 49.10098 0.4988675 0.000000   0.000000 ?         ?        1235.300   25.10000 ?        ?         49.10098 0.4988675 0.000000       0.4988675 
1 1 1 5   9  3  o 87.75272 0.7506627 0.000000   0.000000 ?         ?        3945.900   67.50000 ?        ?         87.75272 0.7506627 0.000000       0.7506627 
1 1 1 5   9  4  o 113.4880 0.9476179 0.000000   0.000000 ?         ?        6600.300   110.2000 ?        ?         113.4880 0.9476179 0.000000       0.9476179 
1 1 1 5   9  5  o 194.6490 1.545191  0.000000   0.000000 ?         ?        19424.10   308.2000 ?        ?         194.6490 1.545191  0.000000       1.545191  
1 1 1 5   9  6  o 79.48154 0.8312353 0.000000   0.000000 ?         ?        3237.300   67.70000 ?        ?         79.48154 0.8312353 0.000000       0.8312353 
1 1 1 5   9  7  o 219.3701 1.713604  0.000000   0.000000 ?         ?        24676.50   385.2000 ?        ?         219.3701 1.713604  0.000000       1.713604  
1 1 1 5   9  8  f 71.05143 0.6235692 0.000000   0.000000 ?         ?        2586.800   45.40000 ?        ?         71.05143 0.6235692 0.000000       0.6235692 
1 1 1 5   9  9  o 95.58087 0.8045571 0.000000   0.000000 ?         ?        4681.600   78.80000 ?        ?         95.58087 0.8045571 0.000000       0.8045571 
1 1 1 5   9  10 o 65.37227 0.6016073 0.000000   0.000000 ?         ?        2189.800   40.30000 ?        ?         65.37227 0.6016073 0.000000       0.6016073 
1 1 1 5   9  11 o 89.59246 0.9367607 0.000000   0.000000 ?         ?        4113.700   86.00000 ?        ?         89.59246 0.9367607 0.000000       0.9367607 
1 1 1 5   9  12 o 22.95499 0.2944918 269.9822   6.927055 350.9000  17.90000 218.9000   11.30000 26.15977 0.6683079 20.66204 0.5341598 5.497726       0.8555479 
1 1 1 5   9  13 o 84.90929 0.5367998 3694.211   46.70527 4041.100  130.3000 3500.400   72.80000 88.77953 1.432298  82.64557 0.8596337 6.133957       1.670463  
1 1 1 5   9  14 o 34.66835 0.3377923 615.8182   12.00000 615.6000  26.40000 616.0000   22.00000 34.65947 0.7433335 34.67178 0.6192245 -0.1231384E-01 0.9674625 
1 1 1 5   9  15 o 99.06885 0.6936647 5029.469   70.41823 4745.600  151.6000 5275.700   131.5000 96.19798 1.537924  101.4434 1.265039  -5.245384      1.991365  
1 1 1 5   9  16 o 129.9971 0.8716425 8661.130   116.1102 8807.400  277.2000 8555.700   199.8000 130.9935 2.065119  129.1621 1.509600  1.831390       2.558048  
1 1 1 5   9  17 o 96.51837 0.8328406 4774.547   82.37022 4390.400  146.3000 5269.500   188.5000 92.51688 1.543210  101.3349 1.815323  -8.818008      2.382624  
1 1 1 5   9  18 o 104.8648 0.8908837 5636.526   95.73027 5664.400  184.3000 5606.400   199.2000 105.0641 1.711878  104.5101 1.860085  0.5539856      2.527932  
1 1 1 5   9  19 o 70.55612 0.6863267 2551.317   49.62082 2416.900  81.40000 2761.200   127.1000 68.65387 1.157074  73.34663 1.691091  -4.692757      2.049051  
1 1 1 5   9  20 o 18.94903 0.4622070 183.9963   8.974739 179.9000  14.30000 190.9000   24.10000 18.71971 0.7469842 19.25330 1.227957  -0.5335846     1.437311  
1 1 1 5   9  21 o 36.07348 0.4321051 666.8286   15.97261 721.9000  25.70000 576.4000   42.20000 37.52935 0.6682882 33.49677 1.231548  4.032581       1.401185  
1 1 1 5   9  22 f 54.35953 0.7952976 1515.000   44.30000 1515.000  44.30000 ?          ?        54.35953 0.7952976 ?        ?         0.000000       0.7952976 
1 1 1 5   9  23 o 11.84100 1.049297  72.50000   12.60000 72.50000  12.60000 ?          ?        11.84100 1.049297  ?        ?         0.000000       1.049297  
1 1 1 5   9  24 o 26.27965 1.300043  355.6000   34.90000 355.6000  34.90000 ?          ?        26.27965 1.300043  ?        ?         0.000000       1.300043  
1 1 1 5   9  25 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 5   10 0  o 157.8161 1.286215  0.000000   0.000000 ?         ?        12766.80   208.0000 ?        ?         157.8161 1.286215  0.000000       1.286215  
1 1 1 5   10 1  o 191.2962 1.530441  0.000000   0.000000 ?         ?        18762.10   300.0000 ?        ?         191.2962 1.530441  0.000000       1.530441  
1 1 1 5   10 2  o 69.28091 0.6296448 0.000000   0.000000 ?         ?        2459.500   44.70000 ?        ?         69.28091 0.6296448 0.000000       0.6296448 
1 1 1 5   10 3  o 142.2613 1.141480  0.000000   0.000000 ?         ?        10373.20   166.4000 ?        ?         142.2613 1.141480  0.000000       1.141480  
1 1 1 5   10 4  o 95.23089 0.8034149 0.000000   0.000000 ?         ?        4647.400   78.40000 ?        ?         95.23089 0.8034149 0.000000       0.8034149 
1 1 1 5   10 5  o 78.91153 0.6838901 0.000000   0.000000 ?         ?        3190.900   55.30000 ?        ?         78.91153 0.6838901 0.000000       0.6838901 
1 1 1 5   10 6  o 40.79670 0.4521040 0.000000   0.000000 ?         ?        852.8000   18.90000 ?        ?         40.79670 0.4521040 0.000000       0.4521040 
1 1 1 5   10 7  o 155.1931 1.251989  0.000000   0.000000 ?         ?        12346.30   199.1000 ?        ?         155.1931 1.251989  0.000000       1.251989  
1 1 1 5   10 8  o 123.4902 1.019434  0.000000   0.000000 ?         ?        7816.000   129.0000 ?        ?         123.4902 1.019434  0.000000       1.019434  
1 1 1 5   10 9  o 3.186347 1.348565  0.000000   0.000000 ?         ?        0.2000000  7.600000 ?        ?         3.186347 1.348565  0.000000       1.348565  
1 1 1 5   10 10 o 82.40855 0.7140796 0.000000   0.000000 ?         ?        3480.100   60.30000 ?        ?         82.40855 0.7140796 0.000000       0.7140796 
1 1 1 5   10 11 o 228.2987 1.804320  0.000000   0.000000 ?         ?        26736.20   422.1000 ?        ?         228.2987 1.804320  0.000000       1.804320  
1 1 1 5   10 12 o 90.23006 0.9323041 0.000000   0.000000 ?         ?        4172.700   86.20000 ?        ?         90.23006 0.9323041 0.000000       0.9323041 
1 1 1 5   10 13 o 70.60844 0.7767501 0.000000   0.000000 ?         ?        2555.000   56.20000 ?        ?         70.60844 0.7767501 0.000000       0.7767501 
1 1 1 5   10 14 o 144.1984 0.9775727 10658.08   144.4468 10339.60  324.7000 10913.30   260.2000 141.8970 2.233113  145.8456 1.741068  -3.948532      2.831627  
1 1 1 5   10 15 o 61.60224 0.4917606 1944.534   31.04192 1975.900  67.60000 1917.900   57.40000 62.08292 1.062616  61.16952 0.9157532 0.9133949      1.402767  
1 1 1 5   10 16 o 32.23978 0.3676784 532.5809   12.14671 564.3000  23.90000 499.8000   24.70000 33.18262 0.7028925 31.22780 0.7718933 1.954821       1.043972  
1 1 1 5   10 17 o 38.29945 0.4519208 751.6418   17.73590 769.8000  30.70000 726.8000   42.00000 38.75438 0.7730708 37.63349 1.090271  1.120884       1.336536  
1 1 1 5   10 18 o 67.07222 0.6210436 2305.567   42.68381 2280.100  81.60000 2333.500   89.50000 66.67507 1.194341  67.44507 1.295014  -0.7699966     1.761679  
1 1 1 5   10 19 o 77.70818 0.6973503 3095.180   55.52852 3141.700  106.1000 3044.100   116.5000 78.24689 1.323274  77.00755 1.476367  1.239349       1.982603  
1 1 1 5   10 20 o 47.33316 0.5330794 1148.233   25.85567 1193.800  44.00000 1083.300   62.70000 48.25025 0.8899277 45.91976 1.333921  2.330494       1.603533  
1 1 1 5   10 21 o 33.90715 0.7799731 589.5000   27.10000 589.5000  27.10000 ?          ?        33.90715 0.7799731 ?        ?         0.000000       0.7799731 
1 1 1 5   10 22 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 5   10 23 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 5   11 0  o 42.22108 0.4761453 0.000000   0.000000 ?         ?        913.4000   20.60000 ?        ?         42.22108 0.4761453 0.000000       0.4761453 
1 1 1 5   11 1  o 43.90242 0.4868074 0.000000   0.000000 ?         ?        987.6000   21.90000 ?        ?         43.90242 0.4868074 0.000000       0.4868074 
1 1 1 5   11 2  f 35.64993 0.4325138 0.000000   0.000000 ?         ?        651.2000   15.80000 ?        ?         35.64993 0.4325138 0.000000       0.4325138 
1 1 1 5   11 3  o 191.3219 1.524114  0.000000   0.000000 ?         ?        18769.70   298.8000 ?        ?         191.3219 1.524114  0.000000       1.524114  
1 1 1 5   11 4  o 59.17004 0.5673594 0.000000   0.000000 ?         ?        1794.000   34.40000 ?        ?         59.17004 0.5673594 0.000000       0.5673594 
1 1 1 5   11 5  f 82.01184 0.7163439 0.000000   0.000000 ?         ?        3446.700   60.20000 ?        ?         82.01184 0.7163439 0.000000       0.7163439 
1 1 1 5   11 6  o 67.82241 0.6230405 0.000000   0.000000 ?         ?        2357.100   43.30000 ?        ?         67.82241 0.6230405 0.000000       0.6230405 
1 1 1 5   11 7  o 157.9773 1.272548  0.000000   0.000000 ?         ?        12794.70   206.0000 ?        ?         157.9773 1.272548  0.000000       1.272548  
1 1 1 5   11 8  o 68.18385 0.6125815 0.000000   0.000000 ?         ?        2382.300   42.80000 ?        ?         68.18385 0.6125815 0.000000       0.6125815 
1 1 1 5   11 9  o 36.06856 0.4680788 0.000000   0.000000 ?         ?        666.6000   17.30000 ?        ?         36.06856 0.4680788 0.000000       0.4680788 
1 1 1 5   11 10 o 107.7724 1.081181  0.000000   0.000000 ?         ?        5954.000   119.4000 ?        ?         107.7724 1.081181  0.000000       1.081181  
1 1 1 5   11 11 o 74.04935 1.025321  0.000000   0.000000 ?         ?        2810.800   77.80000 ?        ?         74.04935 1.025321  0.000000       1.025321  
1 1 1 5   11 12 o 21.90507 0.8435897 0.000000   0.000000 ?         ?        246.3000   18.90000 ?        ?         21.90507 0.8435897 0.000000       0.8435897 
1 1 1 5   11 13 o 91.31223 1.224778  0.000000   0.000000 ?         ?        4275.600   114.6000 ?        ?         91.31223 1.224778  0.000000       1.224778  
1 1 1 5   11 14 o 83.89796 1.089908  0.000000   0.000000 ?         ?        3609.100   93.70000 ?        ?         83.89796 1.089908  0.000000       1.089908  
1 1 1 5   11 15 o 57.89315 0.8512670 0.000000   0.000000 ?         ?        1718.100   50.50000 ?        ?         57.89315 0.8512670 0.000000       0.8512670 
1 1 1 5   11 16 o 77.95985 1.023962  0.000000   0.000000 ?         ?        3116.600   81.80000 ?        ?         77.95985 1.023962  0.000000       1.023962  
1 1 1 5   11 17 o 84.32641 0.6397893 3644.712   55.28394 3943.200  126.5000 3413.000   98.20000 87.64643 1.408503  81.56454 1.174929  6.081894       1.834214  
1 1 1 5   11 18 o 93.64237 0.6653416 4495.018   63.84332 4612.800  147.1000 4404.700   112.8000 94.76176 1.514890  92.64591 1.188186  2.115852       1.925274  
1 1 1 5   11 19 o 61.85559 1.191159  0.000000   0.000000 ?         ?        1964.000   75.50000 ?        ?         61.85559 1.191159  0.000000       1.191159  
1 1 1 5   11 20 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 5   11 21 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 5   12 0  o 126.5461 1.061137  0.000000   0.000000 ?         ?        8208.600   137.6000 ?        ?         126.5461 1.061137  0.000000       1.061137  
1 1 1 5   12 1  o 25.64859 0.5897525 0.000000   0.000000 ?         ?        337.1000   15.50000 ?        ?         25.64859 0.5897525 0.000000       0.5897525 
1 1 1 5   12 2  o 60.01414 0.5788926 0.000000   0.000000 ?         ?        1845.600   35.60000 ?        ?         60.01414 0.5788926 0.000000       0.5788926 
1 1 1 5   12 3  o 102.3614 0.8685281 0.000000   0.000000 ?         ?        5370.100   91.10000 ?        ?         102.3614 0.8685281 0.000000       0.8685281 
1 1 1 5   12 4  o 33.86348 0.5072040 0.000000   0.000000 ?         ?        587.6000   17.60000 ?        ?         33.86348 0.5072040 0.000000       0.5072040 
1 1 1 5   12 5  o 89.25455 0.7653663 0.000000   0.000000 ?         ?        4082.700   70.00000 ?        ?         89.25455 0.7653663 0.000000       0.7653663 
1 1 1 5   12 6  o 25.58783 0.5186890 0.000000   0.000000 ?         ?        335.5000   13.60000 ?        ?         25.58783 0.5186890 0.000000       0.5186890 
1 1 1 5   12 7  o 114.3120 1.438500  0.000000   0.000000 ?         ?        6702.200   168.5000 ?        ?         114.3120 1.438500  0.000000       1.438500  
1 1 1 5   12 8  o 87.51286 1.121832  0.000000   0.000000 ?         ?        3926.600   100.6000 ?        ?         87.51286 1.121832  0.000000       1.121832  
1 1 1 5   12 9  o 29.70706 0.7561762 0.000000   0.000000 ?         ?        452.6000   23.00000 ?        ?         29.70706 0.7561762 0.000000       0.7561762 
1 1 1 5   12 10 o 42.99309 0.7853785 0.000000   0.000000 ?         ?        947.4000   34.60000 ?        ?         42.99309 0.7853785 0.000000       0.7853785 
1 1 1 5   12 11 o 69.82510 1.020265  0.000000   0.000000 ?         ?        2499.800   73.00000 ?        ?         69.82510 1.020265  0.000000       1.020265  
1 1 1 5   12 12 o 87.03247 1.148207  0.000000   0.000000 ?         ?        3884.800   102.4000 ?        ?         87.03247 1.148207  0.000000       1.148207  
1 1 1 5   12 13 o 70.07045 0.9958014 0.000000   0.000000 ?         ?        2517.700   71.50000 ?        ?         70.07045 0.9958014 0.000000       0.9958014 
1 1 1 5   12 14 o 106.2929 1.322086  0.000000   0.000000 ?         ?        5798.400   144.0000 ?        ?         106.2929 1.322086  0.000000       1.322086  
1 1 1 5   12 15 o 88.98593 1.172352  0.000000   0.000000 ?         ?        4063.300   106.9000 ?        ?         88.98593 1.172352  0.000000       1.172352  
1 1 1 5   12 16 o 44.42362 0.7776622 0.000000   0.000000 ?         ?        1011.900   35.40000 ?        ?         44.42362 0.7776622 0.000000       0.7776622 
1 1 1 5   12 17 o 40.46094 1.100866  0.000000   0.000000 ?         ?        840.9000   45.60000 ?        ?         40.46094 1.100866  0.000000       1.100866  
1 1 1 5   12 18 o 52.83173 1.211743  0.000000   0.000000 ?         ?        1433.600   65.60000 ?        ?         52.83173 1.211743  0.000000       1.211743  
1 1 1 5   12 19 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 5   13 0  o 30.64654 0.5731823 0.000000   0.000000 ?         ?        481.3000   18.00000 ?        ?         30.64654 0.5731823 0.000000       0.5731823 
1 1 1 5   13 1  o 92.60860 0.9505103 0.000000   0.000000 ?         ?        4396.500   90.20000 ?        ?         92.60860 0.9505103 0.000000       0.9505103 
1 1 1 5   13 2  o 67.59137 1.012112  0.000000   0.000000 ?         ?        2342.200   70.10000 ?        ?         67.59137 1.012112  0.000000       1.012112  
1 1 1 5   13 3  o 46.40243 0.7697362 0.000000   0.000000 ?         ?        1103.600   36.60000 ?        ?         46.40243 0.7697362 0.000000       0.7697362 
1 1 1 5   13 4  o 44.15269 0.7758031 0.000000   0.000000 ?         ?        999.2000   35.10000 ?        ?         44.15269 0.7758031 0.000000       0.7758031 
1 1 1 5   13 5  o 78.85066 1.045811  0.000000   0.000000 ?         ?        3187.900   84.50000 ?        ?         78.85066 1.045811  0.000000       1.045811  
1 1 1 5   13 6  o 67.27957 0.9152669 0.000000   0.000000 ?         ?        2320.600   63.10000 ?        ?         67.27957 0.9152669 0.000000       0.9152669 
1 1 1 5   13 7  o 99.78252 1.303699  0.000000   0.000000 ?         ?        5108.000   133.3000 ?        ?         99.78252 1.303699  0.000000       1.303699  
1 1 1 5   13 8  o 66.75488 0.9326941 0.000000   0.000000 ?         ?        2284.800   63.80000 ?        ?         66.75488 0.9326941 0.000000       0.9326941 
1 1 1 5   13 9  o 35.96256 0.7896670 0.000000   0.000000 ?         ?        663.0000   29.10000 ?        ?         35.96256 0.7896670 0.000000       0.7896670 
1 1 1 5   13 10 o 7.655818 2.145285  0.000000   0.000000 ?         ?        31.00000   17.50000 ?        ?         7.655818 2.145285  0.000000       2.145285  
1 1 1 5   13 11 o 77.70139 1.066303  0.000000   0.000000 ?         ?        3097.200   84.90000 ?        ?         77.70139 1.066303  0.000000       1.066303  
1 1 1 5   13 12 f 47.14810 0.7803310 0.000000   0.000000 ?         ?        1139.800   37.70000 ?        ?         47.14810 0.7803310 0.000000       0.7803310 
1 1 1 5   13 13 o 95.93828 1.224718  0.000000   0.000000 ?         ?        4725.700   120.4000 ?        ?         95.93828 1.224718  0.000000       1.224718  
1 1 1 5   13 14 o 6.538700 2.559111  0.000000   0.000000 ?         ?        13.20000   24.90000 ?        ?         6.538700 2.559111  0.000000       2.559111  
1 1 1 5   13 15 o 29.82423 0.9862718 0.000000   0.000000 ?         ?        457.0000   30.10000 ?        ?         29.82423 0.9862718 0.000000       0.9862718 
1 1 1 5   13 16 o 40.38301 1.124810  0.000000   0.000000 ?         ?        838.2000   46.50000 ?        ?         40.38301 1.124810  0.000000       1.124810  
1 1 1 5   14 0  o 87.49107 1.138842  0.000000   0.000000 ?         ?        3926.600   102.1000 ?        ?         87.49107 1.138842  0.000000       1.138842  
1 1 1 5   14 1  o 66.58861 0.9174365 0.000000   0.000000 ?         ?        2273.600   62.60000 ?        ?         66.58861 0.9174365 0.000000       0.9174365 
1 1 1 5   14 2  o 50.86380 0.8250140 0.000000   0.000000 ?         ?        1326.400   43.00000 ?        ?         50.86380 0.8250140 0.000000       0.8250140 
1 1 1 5   14 3  f 51.25282 0.7787665 0.000000   0.000000 ?         ?        1346.700   40.90000 ?        ?         51.25282 0.7787665 0.000000       0.7787665 
1 1 1 5   14 4  o 32.95594 0.7551063 0.000000   0.000000 ?         ?        556.8000   25.50000 ?        ?         32.95594 0.7551063 0.000000       0.7551063 
1 1 1 5   14 5  o 29.05265 0.7395914 0.000000   0.000000 ?         ?        433.0000   22.00000 ?        ?         29.05265 0.7395914 0.000000       0.7395914 
1 1 1 5   14 6  o 45.25114 0.7289350 0.000000   0.000000 ?         ?        1049.800   33.80000 ?        ?         45.25114 0.7289350 0.000000       0.7289350 
1 1 1 5   14 7  o 44.89500 0.8238400 0.000000   0.000000 ?         ?        1033.600   37.90000 ?        ?         44.89500 0.8238400 0.000000       0.8238400 
1 1 1 5   14 8  o 26.28072 0.7881179 0.000000   0.000000 ?         ?        354.5000   21.20000 ?        ?         26.28072 0.7881179 0.000000       0.7881179 
1 1 1 5   14 9  o 10.27945 1.640548  0.000000   0.000000 ?         ?        55.70000   16.70000 ?        ?         10.27945 1.640548  0.000000       1.640548  
1 1 1 5   14 10 o 29.24163 0.8017174 0.000000   0.000000 ?         ?        438.9000   24.00000 ?        ?         29.24163 0.8017174 0.000000       0.8017174 
1 1 1 5   14 11 o 12.75476 1.943526  0.000000   0.000000 ?         ?        85.80000   24.60000 ?        ?         12.75476 1.943526  0.000000       1.943526  
1 1 1 5   14 12 o 49.15825 1.235777  0.000000   0.000000 ?         ?        1242.600   62.20000 ?        ?         49.15825 1.235777  0.000000       1.235777  
1 1 1 5   14 13 f 38.54222 0.9806834 0.000000   0.000000 ?         ?        763.1000   38.70000 ?        ?         38.54222 0.9806834 0.000000       0.9806834 
1 1 1 5   15 0  o 79.60748 1.048127  0.000000   0.000000 ?         ?        3252.800   85.50000 ?        ?         79.60748 1.048127  0.000000       1.048127  
1 1 1 5   15 1  o 30.76094 0.7747071 0.000000   0.000000 ?         ?        485.6000   24.40000 ?        ?         30.76094 0.7747071 0.000000       0.7747071 
1 1 1 5   15 2  o 22.45137 0.8185480 0.000000   0.000000 ?         ?        258.9000   18.80000 ?        ?         22.45137 0.8185480 0.000000       0.8185480 
1 1 1 5   15 3  o 7.374659 1.991525  0.000000   0.000000 ?         ?        29.00000   15.40000 ?        ?         7.374659 1.991525  0.000000       1.991525  
1 1 1 5   15 4  o 36.43758 0.7177727 0.000000   0.000000 ?         ?        680.9000   26.80000 ?        ?         36.43758 0.7177727 0.000000       0.7177727 
1 1 1 5   15 5  o 46.00280 0.7339955 0.000000   0.000000 ?         ?        1085.400   34.60000 ?        ?         46.00280 0.7339955 0.000000       0.7339955 
1 1 1 5   15 6  o 10.96115 1.460848  0.000000   0.000000 ?         ?        62.90000   16.00000 ?        ?         10.96115 1.460848  0.000000       1.460848  
1 1 1 5   15 7  o 3.242771 1.614275  0.000000   0.000000 ?         ?        -53.90000  21.20000 ?        ?         3.242771 1.614275  0.000000       1.614275  
1 1 1 5   15 8  o 15.14029 1.644231  0.000000   0.000000 ?         ?        119.5000   25.10000 ?        ?         15.14029 1.644231  0.000000       1.644231  
1 1 1 6   0  0  o 142.9850 1.745773  10481.60   255.7000 10481.60  255.7000 10481.60   255.7000 142.9850 1.745773  142.9850 1.745773  0.000000       0.000000  
1 1 1 6   0  1  o 46.37743 0.7495502 1102.900   35.60000 1102.900  35.60000 1102.900   35.60000 46.37743 0.7495502 46.37743 0.7495502 0.000000       0.000000  
1 1 1 6   0  2  o 92.38233 1.723222  4377.900   163.0000 4377.900  163.0000 4377.900   163.0000 92.38233 1.723222  92.38233 1.723222  0.000000       0.000000  
1 1 1 6   0  3  o 193.4255 2.252915  19181.00   446.4000 19181.00  446.4000 19181.00   446.4000 193.4255 2.252915  193.4255 2.252915  0.000000       0.000000  
1 1 1 6   0  4  o 4.711719 1.815051  15.50000   8.300000 15.50000  8.300000 15.50000   8.300000 4.711719 1.815051  4.711719 1.815051  0.000000       0.000000  
1 1 1 6   0  5  o 85.11137 1.082790  3713.400   94.40000 3713.400  94.40000 3713.400   94.40000 85.11137 1.082790  85.11137 1.082790  0.000000       0.000000  
1 1 1 6   0  6  o 223.6631 2.561968  25646.00   587.0000 25646.00  587.0000 25646.00   587.0000 223.6631 2.561968  223.6631 2.561968  0.000000       0.000000  
1 1 1 6   0  7  o 123.9894 2.167528  7885.000   275.2000 7885.000  275.2000 7885.000   275.2000 123.9894 2.167528  123.9894 2.167528  0.000000       0.000000  
1 1 1 6   0  8  o 55.94402 0.8220159 1604.600   47.10000 1604.600  47.10000 1604.600   47.10000 55.94402 0.8220159 55.94402 0.8220159 0.000000       0.000000  
1 1 1 6   0  9  o 136.5267 1.663894  9555.200   232.7000 9555.200  232.7000 9555.200   232.7000 136.5267 1.663894  136.5267 1.663894  0.000000       0.000000  
1 1 1 6   0  10 o 289.9520 3.293286  43109.00   978.2000 43109.00  978.2000 43109.00   978.2000 289.9520 3.293286  289.9520 3.293286  0.000000       0.000000  
1 1 1 6   0  11 o 210.8782 2.414548  22798.60   521.6000 22798.60  521.6000 22798.60   521.6000 210.8782 2.414548  210.8782 2.414548  0.000000       0.000000  
1 1 1 6   0  12 o 270.9606 3.109824  37648.70   863.2000 37648.70  863.2000 37648.70   863.2000 270.9606 3.109824  270.9606 3.109824  0.000000       0.000000  
1 1 1 6   0  13 o 72.14436 1.033936  2668.500   76.40000 2668.500  76.40000 2668.500   76.40000 72.14436 1.033936  72.14436 1.033936  0.000000       0.000000  
1 1 1 6   0  14 o 366.3411 4.109413  68867.00   1542.200 68867.00  1542.200 68867.00   1542.200 366.3411 4.109413  366.3411 4.109413  0.000000       0.000000  
1 1 1 6   0  15 o 207.2783 2.489994  22033.90   528.7000 22033.90  528.7000 22033.90   528.7000 207.2783 2.489994  207.2783 2.489994  0.000000       0.000000  
1 1 1 6   0  16 o 106.8913 1.449492  5858.500   158.7000 5858.500  158.7000 5858.500   158.7000 106.8913 1.449492  106.8913 1.449492  0.000000       0.000000  
1 1 1 6   0  17 f 20.71728 0.7987792 220.9000   16.90000 220.9000  16.90000 220.9000   16.90000 20.71728 0.7987792 20.71728 0.7987792 0.000000       0.000000  
1 1 1 6   0  18 o 54.86758 0.8292688 1543.600   46.60000 1543.600  46.60000 1543.600   46.60000 54.86758 0.8292688 54.86758 0.8292688 0.000000       0.000000  
1 1 1 6   0  19 o 19.04633 0.8544739 187.0000   16.60000 187.0000  16.60000 187.0000   16.60000 19.04633 0.8544739 19.04633 0.8544739 0.000000       0.000000  
1 1 1 6   0  20 o 269.2843 3.102364  37217.80   855.8000 37217.80  855.8000 37217.80   855.8000 269.2843 3.102364  269.2843 3.102364  0.000000       0.000000  
1 1 1 6   0  21 o 2.165901 1.551141  -25.60000  16.00000 -25.60000 16.00000 -25.60000  16.00000 2.165901 1.551141  2.165901 1.551141  0.000000       0.000000  
1 1 1 6   0  22 o 23.27503 0.7734252 278.5000   18.40000 278.5000  18.40000 278.5000   18.40000 23.27503 0.7734252 23.27503 0.7734252 0.000000       0.000000  
1 1 1 6   0  23 o 35.40724 1.608936  646.6000   58.10000 646.6000  58.10000 646.6000   58.10000 35.40724 1.608936  35.40724 1.608936  0.000000       0.000000  
1 1 1 6   0  24 o 155.7184 1.935932  12439.60   308.8000 12439.60  308.8000 12439.60   308.8000 155.7184 1.935932  155.7184 1.935932  0.000000       0.000000  
1 1 1 6   0  25 o 93.29839 1.271410  4464.200   121.5000 4464.200  121.5000 4464.200   121.5000 93.29839 1.271410  93.29839 1.271410  0.000000       0.000000  
1 1 1 6   0  26 o 53.84203 0.8941229 1486.900   49.30000 1486.900  49.30000 1486.900   49.30000 53.84203 0.8941229 53.84203 0.8941229 0.000000       0.000000  
1 1 1 6   0  27 o 25.37419 0.7824237 330.9000   20.30000 330.9000  20.30000 330.9000   20.30000 25.37419 0.7824237 25.37419 0.7824237 0.000000       0.000000  
1 1 1 6   0  28 o 62.58135 0.9454809 2008.900   60.60000 2008.900  60.60000 2008.900   60.60000 62.58135 0.9454809 62.58135 0.9454809 0.000000       0.000000  
1 1 1 6   0  29 o 119.2494 1.520255  7300.200   185.7000 7300.200  185.7000 7300.200   185.7000 119.2494 1.520255  119.2494 1.520255  0.000000       0.000000  
1 1 1 6   1  0  o 166.0008 1.132131  14120.72   192.5774 14441.90  338.0000 13695.40   447.6000 167.8517 1.965137  163.4232 2.672870  4.428421       3.317529  
1 1 1 6   1  1  f 65.09528 0.4338936 2171.083   28.94217 2514.600  64.20000 1889.100   52.70000 70.05370 0.8943460 60.71920 0.8470055 9.334496       1.231776  
1 1 1 6   1  2  o 453.2800 2.927025  105357.9   1359.538 105774.0  2317.000 104767.0   3290.000 453.8123 4.982547  451.0760 7.117832  2.736237       8.688458  
1 1 1 6   1  3  o 55.83936 0.4024055 1597.553   23.02516 1848.200  49.70000 1381.200   42.90000 60.05902 0.8075693 51.91969 0.8063560 8.139328       1.141218  
1 1 1 6   1  4  o 278.4804 1.572632  39740.89   448.7662 39363.70  874.6000 40138.40   921.7000 277.0833 3.080355  279.7878 3.214863  -2.704498      4.452407  
1 1 1 6   1  5  o 149.3953 0.8892620 11435.77   136.1335 10925.90  255.8000 12015.80   291.0000 146.0164 1.709623  153.1235 1.854610  -7.107086      2.522378  
1 1 1 6   1  6  o 117.7151 0.7351807 7099.829   88.67979 7036.500  167.7000 7170.900   188.2000 117.1836 1.396586  118.2957 1.552574  -1.112091      2.088286  
1 1 1 6   1  7  o 405.8732 3.194267  84457.67   1328.495 85808.60  2686.000 83135.60   2628.600 408.6930 6.413726  402.2833 6.376673  6.409698       9.044216  
1 1 1 6   1  8  o 222.4286 1.501178  25352.28   342.1536 25848.90  852.6000 25019.40   571.5000 224.5076 3.706089  220.9321 2.524405  3.575562       4.484163  
1 1 1 6   1  9  o 241.2094 1.374169  29813.71   339.6510 29290.40  667.9000 30355.20   691.1000 239.0353 2.726786  243.3392 2.771600  -4.303894      3.888075  
1 1 1 6   1  10 o 133.7446 0.8360106 9165.256   114.5741 8797.700  221.8000 9558.000   237.0000 131.0251 1.651994  136.5687 1.693553  -5.543579      2.365842  
1 1 1 6   1  11 o 156.6615 0.9420431 12575.51   151.2277 12570.50  297.2000 12580.70   307.9000 156.6133 1.851918  156.6752 1.917834  -0.6187439E-01 2.666025  
1 1 1 6   1  12 o 261.4433 1.491982  35028.14   399.7048 34994.90  791.0000 35062.10   808.0000 261.2368 2.954906  261.4829 3.015572  -0.2461243     4.221983  
1 1 1 6   1  13 o 58.17334 0.4271283 1733.907   25.46131 1777.900  53.60000 1694.100   48.50000 58.90461 0.8880085 57.50002 0.8231431 1.404587       1.210836  
1 1 1 6   1  14 o 207.8743 1.216823  22144.28   259.1949 21904.20  516.1000 22386.50   520.7000 206.6787 2.436912  208.9420 2.431999  -2.263336      3.442842  
1 1 1 6   1  15 o 270.5765 1.551863  37525.81   430.2708 35484.30  819.1000 39784.90   906.4000 262.9578 3.039852  278.4165 3.177068  -15.45871      4.397098  
1 1 1 6   1  16 o 291.7711 1.642478  43641.42   491.0663 42920.20  962.3000 44393.00   1002.800 289.1118 3.248226  294.0142 3.328493  -4.902313      4.650789  
1 1 1 6   1  17 o 150.8752 0.9215523 11665.21   142.4742 11836.10  285.6000 11495.10   284.3000 151.9307 1.834486  149.7249 1.853038  2.205780       2.607506  
1 1 1 6   1  18 o 175.6585 1.077230  15813.72   193.8992 15709.50  388.6000 15917.50   387.0000 175.0008 2.167027  176.1578 2.143931  -1.156921      3.048351  
1 1 1 6   1  19 o 192.1582 1.135809  18925.04   223.6468 18922.80  445.6000 18927.30   449.0000 192.0476 2.264321  192.0685 2.281350  -0.2084351E-01 3.214297  
1 1 1 6   1  20 o 70.03113 0.5326538 2512.960   38.22386 2435.100  74.50000 2595.000   78.50000 68.92960 1.054756  71.15627 1.076609  -2.226669      1.507182  
1 1 1 6   1  21 o 113.1726 0.7175542 6563.237   83.21358 6423.000  164.5000 6706.800   168.4000 111.9309 1.434225  114.3769 1.436830  -2.445969      2.030143  
1 1 1 6   1  22 o 76.56840 0.5505523 3004.073   43.19630 3132.400  87.20000 2878.100   85.60000 78.17545 1.088548  74.93430 1.114794  3.241150       1.558109  
1 1 1 6   1  23 o 21.71129 0.4326704 241.5297   9.625897 294.5000  21.70000 199.3000   17.30000 23.95508 0.8855476 19.70138 0.8590057 4.253700       1.233728  
1 1 1 6   1  24 o 64.47623 0.4600414 2130.143   30.39450 2014.500  58.30000 2256.100   63.50000 62.69309 0.9075081 66.34536 0.9340386 -3.652267      1.302305  
1 1 1 6   1  25 o 30.17113 0.4140126 466.4354   12.79981 495.9000  25.70000 437.2000   25.50000 31.09500 0.8072567 29.19346 0.8533410 1.901543       1.174672  
1 1 1 6   1  26 o 126.6374 0.7893429 8219.974   102.4298 8752.300  218.4000 7749.800   192.9000 130.5861 1.632139  122.8928 1.531819  7.693329       2.238380  
1 1 1 6   1  27 o 56.79990 0.4535843 1653.250   26.40000 1626.100  52.80000 1680.400   52.80000 56.31664 0.9149531 57.24986 0.9000387 -0.9332161     1.283436  
1 1 1 6   1  28 o 63.18786 0.4624934 2046.137   29.94591 2034.300  60.60000 2057.700   59.20000 62.98241 0.9389771 63.34529 0.9120298 -0.3628807     1.308998  
1 1 1 6   1  29 o 45.33638 0.3836322 1053.283   17.82216 1090.700  36.10000 1016.800   35.20000 46.12152 0.7638449 44.53131 0.7713986 1.590214       1.085594  
1 1 1 6   2  0  o 185.9982 1.236436  17727.76   235.6562 17410.90  399.5000 18183.50   574.6000 184.3007 2.115395  188.3031 2.977897  -4.002411      3.652776  
1 1 1 6   2  1  o 95.48947 1.553423  0.000000   0.000000 ?         ?        4672.800   152.0000 ?        ?         95.48947 1.553423  0.000000       1.553423  
1 1 1 6   2  2  o 327.0600 3.570451  54863.70   1196.600 54863.70  1196.600 ?          ?        327.0600 3.570451  ?        ?         0.000000       3.570451  
1 1 1 6   2  3  o 176.5314 1.986264  15971.30   359.3000 15971.30  359.3000 ?          ?        176.5314 1.986264  ?        ?         0.000000       1.986264  
1 1 1 6   2  4  o 218.4941 1.454313  24463.05   325.6086 24987.80  554.6000 23716.90   788.6000 220.7959 2.451267  215.0578 3.578517  5.738022       4.337568  
1 1 1 6   2  5  o 216.0371 1.237241  23914.88   273.8930 23764.20  532.3000 24074.60   564.2000 215.3254 2.412474  216.7227 2.540565  -1.397232      3.503499  
1 1 1 6   2  6  o 591.0526 3.784508  179153.9   2292.102 179487.0  5488.000 178915.0   3936.000 590.2948 9.072914  590.1190 6.509042  0.1757813      11.16626  
1 1 1 6   2  7  o 273.9385 2.164419  38460.31   607.5649 39942.30  1240.800 37038.40   1190.500 279.0323 4.339593  268.6989 4.323795  10.33331       6.125951  
1 1 1 6   2  8  o 218.0739 1.472086  24369.29   328.9540 23477.40  753.9000 25059.70   583.6000 213.9725 3.438408  221.1063 2.575821  -7.133789      4.296219  
1 1 1 6   2  9  o 111.6584 0.7074684 6388.035   80.94624 6856.000  167.9000 5952.400   156.3000 115.6694 1.416557  107.7777 1.415245  7.891624       2.002386  
1 1 1 6   2  10 o 84.53426 0.5490229 3661.378   47.55778 3961.500  101.1000 3394.800   89.80000 87.92723 1.122094  81.39589 1.076652  6.531342       1.555081  
1 1 1 6   2  11 o 264.6710 1.493270  35897.80   404.9888 37084.60  834.9000 34779.80   786.5000 268.9267 3.029717  260.4416 2.947067  8.485138       4.226629  
1 1 1 6   2  12 o 75.28859 0.5044996 2904.280   38.92139 2916.900  78.60000 2891.900   77.10000 75.44888 1.016650  75.12498 1.001548  0.3239059      1.427121  
1 1 1 6   2  13 o 248.9312 1.425366  31757.07   363.5835 32309.10  741.8000 31226.40   713.1000 250.9841 2.884311  246.7488 2.820311  4.235367       4.034031  
1 1 1 6   2  14 o 172.2795 1.019852  15209.17   180.0402 16096.70  372.8000 14380.20   348.2000 177.1916 2.053215  167.4790 2.028944  9.712555       2.886573  
1 1 1 6   2  15 o 207.6640 1.198418  22100.80   255.0164 23011.60  526.8000 21246.20   494.3000 211.8112 2.427161  203.5295 2.370091  8.281708       3.392409  
1 1 1 6   2  16 o 46.42775 0.3838582 1104.429   18.26194 1003.000  34.50000 1218.500   38.80000 44.24236 0.7609961 48.76401 0.7764866 -4.521648      1.087220  
1 1 1 6   2  17 o 86.76893 0.5901765 3857.748   52.47404 4022.300  105.4000 3694.600   104.5000 88.58934 1.161076  84.90298 1.201144  3.686363       1.670582  
1 1 1 6   2  18 o 87.62500 0.5830244 3934.257   52.34957 3914.400  105.0000 3954.000   104.4000 87.39188 1.172519  87.83315 1.159962  -0.4412689     1.649337  
1 1 1 6   2  19 f 66.59872 0.4794061 2272.624   32.71658 2188.200  64.40000 2359.800   66.50000 65.34379 0.9617965 67.85768 0.9563663 -2.513893      1.356351  
1 1 1 6   2  20 o 88.77312 0.5987702 4038.094   54.46783 3873.800  107.7000 4206.200   110.2000 86.93459 1.208996  90.58833 1.187165  -3.653748      1.694411  
1 1 1 6   2  21 f 150.5652 0.9181300 11617.99   141.6534 11526.10  276.1000 11714.80   290.9000 149.9131 1.797332  151.1283 1.878449  -1.215195      2.599803  
1 1 1 6   2  22 o 69.69196 0.5025403 2488.693   35.88823 2539.700  73.10000 2439.500   70.50000 70.39322 1.013417  68.99100 0.9972369 1.402222       1.421793  
1 1 1 6   2  23 o 75.30853 0.5409711 2906.079   41.74617 3008.400  84.30000 2805.700   82.70000 76.60969 1.073855  73.98325 1.090872  2.626442       1.530740  
1 1 1 6   2  24 o 77.15837 0.5210371 3050.627   41.19553 3297.800  88.20000 2834.000   77.30000 80.20696 1.073144  74.35534 1.014540  5.851624       1.476797  
1 1 1 6   2  25 o 76.66196 0.5240799 3011.589   41.16952 3003.800  83.30000 3019.200   81.40000 76.54428 1.062023  76.74147 1.035133  -0.1971893     1.483035  
1 1 1 6   2  26 o 47.92467 0.4082383 1176.893   20.04801 1081.900  39.70000 1273.800   40.50000 45.94117 0.8433155 49.85074 0.7928390 -3.909569      1.157486  
1 1 1 6   2  27 o 54.51432 0.4391754 1522.878   24.53279 1476.100  47.80000 1572.200   50.40000 53.65695 0.8693678 55.37523 0.8882120 -1.718281      1.242868  
1 1 1 6   2  28 o 48.59013 0.3849664 1209.866   19.16767 1188.100  37.60000 1232.500   39.10000 48.13929 0.7622365 49.02986 0.7782475 -0.8905640     1.089345  
1 1 1 6   2  29 o 54.45501 0.3962357 1519.626   22.11006 1587.700  45.40000 1455.000   43.10000 55.64337 0.7962402 53.26768 0.7896145 2.375690       1.121378  
1 1 1 6   3  0  o 31.22005 0.6157923 0.000000   0.000000 ?         ?        499.4000   19.70000 ?        ?         31.22005 0.6157923 0.000000       0.6157923 
1 1 1 6   3  1  o 356.8677 3.913218  65324.40   1431.000 65324.40  1431.000 ?          ?        356.8677 3.913218  ?        ?         0.000000       3.913218  
1 1 1 6   3  2  o 369.9414 5.623083  70272.90   2131.600 70272.90  2131.600 ?          ?        369.9414 5.623083  ?        ?         0.000000       5.623083  
1 1 1 6   3  3  o 213.0553 3.259914  23273.30   711.7000 23273.30  711.7000 ?          ?        213.0553 3.259914  ?        ?         0.000000       3.259914  
1 1 1 6   3  4  o 294.0084 4.489638  44346.50   1352.600 44346.50  1352.600 ?          ?        294.0084 4.489638  ?        ?         0.000000       4.489638  
1 1 1 6   3  5  o 301.4930 3.267291  46604.80   1009.400 46604.80  1009.400 ?          ?        301.4930 3.267291  ?        ?         0.000000       3.267291  
1 1 1 6   3  6  o 100.5623 1.174226  5181.800   121.0000 5181.800  121.0000 ?          ?        100.5623 1.174226  ?        ?         0.000000       1.174226  
1 1 1 6   3  7  o 166.4440 1.369228  14195.92   233.5298 15193.90  477.9000 13242.20   456.7000 172.1613 2.708963  160.7221 2.773046  11.43925       3.876630  
1 1 1 6   3  8  o 229.3342 1.513308  26951.42   355.6269 26328.20  826.7000 27421.90   624.1000 226.5776 3.560677  231.2864 2.633333  -4.708740      4.428641  
1 1 1 6   3  9  o 191.4290 1.275590  18777.64   250.2173 18882.00  601.0000 18703.20   428.7000 191.9001 3.056334  191.0246 2.190110  0.8755493      3.760021  
1 1 1 6   3  10 o 149.2042 0.8785324 11406.71   134.3189 10891.20  255.5000 11978.10   283.2000 145.7797 1.710391  152.8786 1.807791  -7.098846      2.488683  
1 1 1 6   3  11 o 192.3186 1.111359  18952.47   219.0150 18787.50  430.9000 19123.00   445.4000 191.4446 2.196519  193.1440 2.250456  -1.699432      3.144718  
1 1 1 6   3  12 o 99.58229 0.6278820 5081.051   64.07056 4749.800  121.3000 5451.900   135.8000 96.27489 1.229559  103.1444 1.284860  -6.869499      1.778393  
1 1 1 6   3  13 o 55.81215 0.4030851 1596.012   23.05281 1690.300  49.30000 1513.200   43.30000 57.43484 0.8376703 54.34314 0.7775794 3.091702       1.142944  
1 1 1 6   3  14 o 150.7525 0.9138421 11645.58   141.1673 11576.80  278.1000 11716.50   286.7000 150.2744 1.805999  151.1762 1.850742  -0.9017944     2.585900  
1 1 1 6   3  15 o 126.5631 0.7926502 8208.055   102.7986 7961.300  201.1000 8466.100   210.3000 124.6217 1.574780  128.5110 1.596984  -3.889252      2.242831  
1 1 1 6   3  16 o 159.9314 0.9542326 13107.84   156.3819 13581.30  321.6000 12659.70   304.4000 162.7392 1.928527  157.1233 1.890626  5.615829       2.700681  
1 1 1 6   3  17 o 165.0147 0.9872220 13954.72   166.9305 13419.40  328.5000 14507.80   339.4000 161.7580 1.981853  168.1910 1.969295  -6.432999      2.793898  
1 1 1 6   3  18 o 235.7452 1.354216  28488.54   327.1367 27598.50  633.9000 29437.70   676.0000 231.8672 2.667983  239.4533 2.755037  -7.586044      3.835148  
1 1 1 6   3  19 o 88.55270 0.5806091 4018.034   52.68463 4019.000  107.2000 4017.100   103.6000 88.55000 1.181430  88.53022 1.142010  0.1978302E-01  1.643156  
1 1 1 6   3  20 o 34.59890 0.3591693 613.3521   12.73386 536.1000  24.10000 699.9000   27.00000 32.34478 0.7271340 36.95734 0.7129593 -4.612556      1.018349  
1 1 1 6   3  21 f 67.81520 0.4990239 2356.446   34.67742 2128.500  64.50000 2621.500   75.00000 64.44445 0.9767329 71.51828 1.023401  -7.073830      1.414693  
1 1 1 6   3  22 f 95.46268 0.6464084 4669.840   63.23230 4894.100  134.8000 4471.700   119.1000 97.70303 1.346429  93.39615 1.244470  4.306885       1.833460  
1 1 1 6   3  23 o 58.24584 0.4435329 1738.342   26.47215 1680.400  52.40000 1797.500   53.50000 57.25944 0.8930706 59.22118 0.8816137 -1.961742      1.254918  
1 1 1 6   3  24 o 83.20320 0.5843378 3547.510   49.81984 3511.800  95.80000 3586.200   103.8000 82.76379 1.129605  83.63187 1.211232  -0.8680725     1.656228  
1 1 1 6   3  25 o 55.67103 0.4433452 1588.106   25.29121 1637.600  52.50000 1542.100   48.80000 56.52102 0.9064648 54.84934 0.8682605 1.671680       1.255211  
1 1 1 6   3  26 f 57.09637 0.4530042 1670.527   26.50386 1562.900  50.40000 1789.900   55.90000 55.21407 0.8908046 59.08656 0.9232615 -3.872498      1.282944  
1 1 1 6   3  27 o 42.60051 0.3690707 929.9434   16.11101 883.6000  31.30000 979.1000   33.20000 41.51713 0.7357304 43.70299 0.7413589 -2.185863      1.044467  
1 1 1 6   3  28 o 10.52163 0.6171771 56.94114   6.624906 85.90000  13.30000 28.20000   13.20000 12.90050 1.014264  7.261583 1.786432  5.638919       2.054281  
1 1 1 6   3  29 o 71.84573 0.5863146 2645.956   43.16483 2640.100  74.20000 2654.100   103.2000 71.73176 1.009472  71.87350 1.401240  -0.1417465     1.726993  
1 1 1 6   4  0  o 50.50484 0.4527346 1306.894   23.43015 1587.800  64.80000 1147.800   36.70000 55.66665 1.136009  47.33045 0.7567058 8.336193       1.364961  
1 1 1 6   4  1  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 6   4  2  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 6   4  3  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 6   4  4  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 6   4  5  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 6   4  6  o 257.8323 3.929951  34099.30   1038.300 34099.30  1038.300 ?          ?        257.8323 3.929951  ?        ?         0.000000       3.929951  
1 1 1 6   4  7  o 229.9941 3.523060  27128.60   830.3000 27128.60  830.3000 ?          ?        229.9941 3.523060  ?        ?         0.000000       3.523060  
1 1 1 6   4  8  o 210.2803 1.626504  22660.16   350.4711 21701.90  670.4000 23709.90   734.4000 205.7210 3.180218  215.0188 3.333173  -9.297760      4.606934  
1 1 1 6   4  9  f 350.4772 2.684099  62976.13   963.9547 61194.40  1874.100 64863.20   1984.900 345.1524 5.298872  355.3215 5.451534  -10.16910      7.602452  
1 1 1 6   4  10 o 160.8947 1.270997  13265.59   209.5486 12905.70  406.5000 13648.50   432.5000 158.6581 2.500345  163.1563 2.586926  -4.498154      3.597764  
1 1 1 6   4  11 o 142.7759 0.8355690 10445.19   122.2462 10624.90  248.3000 10270.90   240.8000 143.9795 1.682975  141.5613 1.660021  2.418182       2.363911  
1 1 1 6   4  12 o 135.1089 0.7895567 9353.546   109.3114 9128.100  211.8000 9594.000   225.9000 133.4531 1.548813  136.8145 1.611335  -3.361359      2.234999  
1 1 1 6   4  13 o 58.77085 0.4212606 1769.726   25.36946 1898.400  51.50000 1644.800   50.00000 60.86722 0.8257059 56.65574 0.8612471 4.211487       1.193121  
1 1 1 6   4  14 o 129.9728 0.7941195 8656.278   105.7637 8248.200  197.2000 9128.300   228.1000 126.8499 1.517114  133.4393 1.668182  -6.589333      2.254876  
1 1 1 6   4  15 o 130.2009 0.8010637 8686.874   106.8758 8513.200  204.4000 8877.200   224.0000 128.8656 1.547909  131.5860 1.661269  -2.720383      2.270646  
1 1 1 6   4  16 o 73.93451 0.5108401 2800.861   38.70174 2982.000  82.50000 2640.800   72.90000 76.27953 1.055474  71.78426 0.9910599 4.495270       1.447835  
1 1 1 6   4  17 o 81.79491 0.5575526 3428.131   46.73158 3327.300  90.70000 3535.300   96.40000 80.57324 1.098546  83.05266 1.132727  -2.479416      1.577933  
1 1 1 6   4  18 o 21.62012 0.3577656 239.4972   7.926019 310.4000  17.20000 178.9000   14.70000 24.60259 0.6829196 18.66877 0.7700816 5.933826       1.029274  
1 1 1 6   4  19 o 58.95706 0.4425880 1781.006   26.73830 1609.400  50.60000 1973.300   56.70000 56.03989 0.8811601 62.05270 0.8917108 -6.012802      1.253631  
1 1 1 6   4  20 o 83.05814 0.5564052 3534.889   47.35564 3456.900  91.90000 3617.800   97.70000 82.12517 1.092046  84.01339 1.134874  -1.888222      1.574961  
1 1 1 6   4  21 o 60.67009 0.4687958 1886.043   29.14451 1835.200  57.50000 1938.300   59.10000 59.83976 0.9377340 61.49767 0.9378437 -1.657909      1.326234  
1 1 1 6   4  22 o 113.5062 0.7084415 6602.322   82.39897 6947.400  171.5000 6283.200   158.6000 116.3973 1.437881  110.6960 1.398211  5.701233       2.005616  
1 1 1 6   4  23 o 86.45499 0.5828600 3830.173   51.63601 4029.500  105.0000 3637.300   101.6000 88.65512 1.155812  84.22921 1.177152  4.425911       1.649724  
1 1 1 6   4  24 o 51.94732 0.4173948 1382.732   22.21818 1307.200  42.30000 1466.300   46.80000 50.50140 0.8174075 53.48551 0.8539085 -2.984116      1.182081  
1 1 1 6   4  25 o 70.38436 0.4836954 2538.585   34.88562 2673.800  72.90000 2414.500   66.90000 72.21592 0.9851361 68.62653 0.9513399 3.589394       1.369504  
1 1 1 6   4  26 o 72.42910 0.5051481 2688.399   37.49127 2589.700  72.80000 2793.200   77.30000 71.06345 0.9997393 73.80126 1.022156  -2.737816      1.429784  
1 1 1 6   4  27 o 47.86771 0.4594378 1174.239   22.53553 1221.400  41.30000 1117.600   49.60000 48.80664 0.8257960 46.67641 1.037017  2.130226       1.325648  
1 1 1 6   4  28 o 93.32379 0.6988544 4465.188   66.83093 4599.700  116.2000 4283.100   157.3000 94.65850 1.197976  91.25692 1.682149  3.401581       2.065133  
1 1 1 6   5  0  o 108.3542 0.9739157 6015.739   108.1348 5727.800  210.2000 6320.800   222.7000 105.7186 1.940363  111.0561 1.956948  -5.337532      2.755840  
1 1 1 6   5  1  o 437.6089 6.903580  0.000000   0.000000 ?         ?        98455.50   3095.700 ?        ?         437.6089 6.903580  0.000000       6.903580  
1 1 1 6   5  2  o 202.3842 2.436545  0.000000   0.000000 ?         ?        20994.80   505.3000 ?        ?         202.3842 2.436545  0.000000       2.436545  
1 1 1 6   5  3  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 6   5  4  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 6   5  5  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 6   5  6  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 6   5  7  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 6   5  8  o 215.0088 3.267969  23711.40   720.0000 23711.40  720.0000 ?          ?        215.0088 3.267969  ?        ?         0.000000       3.267969  
1 1 1 6   5  9  o 233.2917 1.785917  27895.34   426.9322 26066.40  796.3000 30009.30   920.4000 225.3980 3.447690  241.8179 3.714411  -16.41985      5.067881  
1 1 1 6   5  10 o 144.0840 1.119726  10638.37   165.3202 10021.70  311.1000 11337.70   352.8000 139.8123 2.171483  148.7023 2.315328  -8.890045      3.174284  
1 1 1 6   5  11 o 220.0276 1.698453  24815.53   382.9385 24738.60  761.7000 24893.30   770.1000 219.5355 3.385953  220.2176 3.412689  -0.6821289     4.807403  
1 1 1 6   5  12 o 38.78947 0.3899069 770.9188   15.49791 844.6000  32.90000 705.3000   29.30000 40.59904 0.7908276 37.10039 0.7707096 3.498650       1.104265  
1 1 1 6   5  13 o 112.5080 0.7779821 6486.243   89.69152 6574.400  159.7000 6373.300   204.6000 113.2539 1.376111  111.4921 1.790866  1.761749       2.258513  
1 1 1 6   5  14 o 117.0467 0.7334127 7020.118   87.96420 7059.600  177.9000 6981.500   174.0000 117.3514 1.479413  116.7015 1.455038  0.6498947      2.075042  
1 1 1 6   5  15 o 4.550756 1.912052  1.200000   15.10000 1.200000  15.10000 ?          ?        4.550756 1.912052  ?        ?         0.000000       1.912052  
1 1 1 6   5  16 o 151.3807 0.9127284 11743.81   141.5828 11282.60  272.5000 12242.60   294.7000 148.3296 1.792835  154.5059 1.861387  -6.176300      2.584379  
1 1 1 6   5  17 o 31.19772 0.3235680 498.6860   10.34396 556.7000  20.20000 437.8000   21.20000 32.96128 0.5980657 29.22957 0.7078074 3.731716       0.9266466 
1 1 1 6   5  18 f 43.74569 0.3602500 980.5190   16.14870 852.3000  28.90000 1142.900   36.60000 40.78313 0.6915424 47.22613 0.7563109 -6.442993      1.024811  
1 1 1 6   5  19 o 34.00328 0.4195330 592.4269   14.61791 612.0000  24.90000 564.6000   35.40000 34.55865 0.7031438 33.17384 1.042674  1.384811       1.257609  
1 1 1 6   5  20 o 312.6232 1.760443  50128.60   563.9514 49089.30  1103.600 51214.70   1153.300 308.8728 3.486853  315.4569 3.567828  -6.584076      4.988741  
1 1 1 6   5  21 o 82.30270 0.5533414 3470.967   46.66654 3575.800  95.90000 3371.600   90.90000 83.52026 1.120543  81.10143 1.093798  2.418839       1.565889  
1 1 1 6   5  22 o 105.2287 0.6592950 5674.468   71.09061 5443.400  133.4000 5938.100   152.2000 103.0359 1.263482  107.6082 1.380291  -4.572388      1.871254  
1 1 1 6   5  23 o 43.73810 0.3764147 980.2178   16.87038 918.3000  30.60000 1056.300   37.60000 42.32994 0.7054649 45.39731 0.8082753 -3.067371      1.072842  
1 1 1 6   5  24 o 131.1420 0.7955179 8815.286   106.9031 8551.400  202.3000 9111.000   226.7000 129.0903 1.529339  133.2285 1.660565  -4.138199      2.257511  
1 1 1 6   5  25 o 65.56192 0.5744221 2202.885   38.59057 2230.200  64.00000 2161.400   97.20000 65.95149 0.9470153 64.89259 1.461749  1.058899       1.741708  
1 1 1 6   5  26 o 18.22314 0.4689654 170.2957   8.749865 207.1000  14.40000 113.3000   22.30000 20.08764 0.7006491 14.77850 1.493023  5.309142       1.649250  
1 1 1 6   5  27 o 33.97870 0.3873101 591.6525   13.48541 624.7000  23.10000 545.3000   32.40000 34.90871 0.6457729 32.58932 0.9713064 2.319393       1.166387  
1 1 1 6   5  28 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 6   6  0  o 140.5935 2.427347  0.000000   0.000000 ?         ?        10132.30   349.7000 ?        ?         140.5935 2.427347  0.000000       2.427347  
1 1 1 6   6  1  o 243.8844 3.969440  0.000000   0.000000 ?         ?        30514.40   992.0000 ?        ?         243.8844 3.969440  0.000000       3.969440  
1 1 1 6   6  2  o 185.1633 2.185124  0.000000   0.000000 ?         ?        17573.40   414.6000 ?        ?         185.1633 2.185124  0.000000       2.185124  
1 1 1 6   6  3  o 125.0380 1.599195  0.000000   0.000000 ?         ?        8012.200   204.9000 ?        ?         125.0380 1.599195  0.000000       1.599195  
1 1 1 6   6  4  o 155.5490 1.903488  0.000000   0.000000 ?         ?        12400.80   303.4000 ?        ?         155.5490 1.903488  0.000000       1.903488  
1 1 1 6   6  5  o 89.52322 1.213280  0.000000   0.000000 ?         ?        4106.800   111.3000 ?        ?         89.52322 1.213280  0.000000       1.213280  
1 1 1 6   6  6  o 142.3616 1.732263  0.000000   0.000000 ?         ?        10387.20   252.7000 ?        ?         142.3616 1.732263  0.000000       1.732263  
1 1 1 6   6  7  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 6   6  8  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 6   6  9  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 6   6  10 o 275.3359 2.092098  38872.77   590.2597 38154.90  1159.700 39616.90   1202.100 272.4576 4.153826  277.6131 4.225735  -5.155457      5.925463  
1 1 1 6   6  11 o 52.29350 0.4429260 1401.142   23.73435 1314.400  45.10000 1497.500   50.10000 50.64593 0.8690276 54.05816 0.9044364 -3.412231      1.254278  
1 1 1 6   6  12 o 78.15596 0.6478005 3129.945   51.88021 3038.900  100.8000 3226.500   106.9000 76.99955 1.277538  79.33973 1.314888  -2.340179      1.833312  
1 1 1 6   6  13 o 72.74250 0.6156458 2711.362   45.88995 2624.100  87.50000 2807.600   96.50000 71.55265 1.193394  74.01030 1.272438  -2.457649      1.744503  
1 1 1 6   6  14 o 115.2065 0.9254668 6801.788   109.2537 6995.200  221.6000 6613.700   215.5000 116.7924 1.851642  113.5629 1.851878  3.229431       2.618783  
1 1 1 6   6  15 o 25.54417 0.6883008 334.6000   18.00000 334.6000  18.00000 ?          ?        25.54417 0.6883008 ?        ?         0.000000       0.6883008 
1 1 1 6   6  16 o 235.8592 1.339354  28517.15   323.7028 27086.80  615.5000 30103.90   682.8000 229.6956 2.615032  242.1239 2.752057  -12.42833      3.796342  
1 1 1 6   6  17 o 44.42001 0.3593343 1010.982   16.35595 952.1000  31.10000 1076.300   34.50000 43.10457 0.7041070 45.82957 0.7346407 -2.724995      1.017577  
1 1 1 6   6  18 o 36.32895 0.3526258 676.2263   13.12700 620.7000  25.20000 736.6000   27.40000 34.80331 0.7066129 37.91366 0.7052718 -3.110344      0.9983537 
1 1 1 6   6  19 o 88.04742 0.5597013 3972.384   50.49767 4226.100  103.4000 3730.200   98.70000 90.80049 1.111307  85.30630 1.129114  5.494186       1.584266  
1 1 1 6   6  20 o 126.3967 0.7658014 8187.398   99.18597 7882.200  185.7000 8537.300   212.9000 123.9785 1.461730  129.0154 1.610407  -5.036926      2.174871  
1 1 1 6   6  21 o 58.09135 0.4274563 1729.137   25.44495 1737.200  49.20000 1720.500   52.70000 58.21971 0.8247014 57.93769 0.8876690 0.2820129      1.211647  
1 1 1 6   6  22 o 24.86571 0.3871393 316.8158   9.864305 330.5000  19.10000 302.2000   20.40000 25.38361 0.7350881 24.26787 0.8215361 1.115732       1.102396  
1 1 1 6   6  23 o 93.39365 0.6925587 4470.372   66.27845 4570.100  113.0000 4328.900   160.3000 94.40147 1.168157  91.82897 1.703552  2.572495       2.065595  
1 1 1 6   6  24 o 69.85861 0.5429066 2501.007   38.86364 2661.600  68.40000 2289.700   90.00000 72.04968 0.9264578 66.80252 1.314775  5.247162       1.608402  
1 1 1 6   6  25 o 71.99181 0.5907635 2656.406   43.58079 2644.300  70.10000 2676.300   115.2000 71.80641 0.9527004 72.18184 1.557493  -0.3754272     1.825767  
1 1 1 6   6  26 o 48.68307 0.4702092 1214.641   23.45673 1342.800  40.90000 1042.300   55.00000 51.17424 0.7799622 45.04677 1.192567  6.127476       1.424976  
1 1 1 6   6  27 o 57.87300 0.8819161 1718.000   52.30000 1718.000  52.30000 ?          ?        57.87300 0.8819161 ?        ?         0.000000       0.8819161 
1 1 1 6   7  0  o 74.64217 0.7216995 0.000000   0.000000 ?         ?        2854.700   55.20000 ?        ?         74.64217 0.7216995 0.000000       0.7216995 
1 1 1 6   7  1  o 90.87290 1.196334  0.000000   0.000000 ?         ?        4231.600   111.4000 ?        ?         90.87290 1.196334  0.000000       1.196334  
1 1 1 6   7  2  o 62.28755 0.9557189 0.000000   0.000000 ?         ?        1988.000   61.00000 ?        ?         62.28755 0.9557189 0.000000       0.9557189 
1 1 1 6   7  3  f 97.60229 1.245833  0.000000   0.000000 ?         ?        4881.700   124.6000 ?        ?         97.60229 1.245833  0.000000       1.245833  
1 1 1 6   7  4  o 236.9425 2.694856  0.000000   0.000000 ?         ?        28792.20   654.3000 ?        ?         236.9425 2.694856  0.000000       2.694856  
1 1 1 6   7  5  o 190.2574 2.266648  0.000000   0.000000 ?         ?        18559.90   441.9000 ?        ?         190.2574 2.266648  0.000000       2.266648  
1 1 1 6   7  6  o 100.1273 1.318703  0.000000   0.000000 ?         ?        5138.000   135.3000 ?        ?         100.1273 1.318703  0.000000       1.318703  
1 1 1 6   7  7  o 31.17506 0.7763295 0.000000   0.000000 ?         ?        498.0000   24.80000 ?        ?         31.17506 0.7763295 0.000000       0.7763295 
1 1 1 6   7  8  o 196.1177 2.312869  0.000000   0.000000 ?         ?        19727.20   464.8000 ?        ?         196.1177 2.312869  0.000000       2.312869  
1 1 1 6   7  9  o 51.19709 0.9149505 0.000000   0.000000 ?         ?        1343.200   48.00000 ?        ?         51.19709 0.9149505 0.000000       0.9149505 
1 1 1 6   7  10 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 6   7  11 o 175.1221 1.337417  15720.15   239.9973 16347.80  498.4000 15137.20   462.9000 178.4503 2.725601  171.7275 2.630565  6.722839       3.787977  
1 1 1 6   7  12 o 94.96178 0.7456953 4620.964   72.56190 4672.700  147.1000 4570.600   143.2000 95.46948 1.503660  94.42162 1.480039  1.047867       2.109860  
1 1 1 6   7  13 o 24.86341 0.3242502 316.7401   8.261128 266.7000  14.50000 383.0000   19.20000 22.80564 0.6210577 27.33058 0.6861159 -4.524944      0.9254554 
1 1 1 6   7  14 o 94.53992 0.7619833 4580.095   73.81747 4458.600  144.6000 4706.800   150.8000 93.25370 1.513226  95.81316 1.535952  -2.559464      2.156155  
1 1 1 6   7  15 o 18.07334 0.4063170 167.3661   7.524917 232.2000  15.00000 102.1000   15.10000 21.27586 0.6889356 14.07469 1.054653  7.201177       1.259732  
1 1 1 6   7  16 o 79.38054 0.6578519 3228.928   53.51070 3233.600  105.3000 3224.100   108.8000 79.42175 1.293870  79.30344 1.338870  0.1183014      1.861900  
1 1 1 6   7  17 o 40.05785 0.3815120 822.1779   15.66009 712.1000  25.30000 1001.000   41.10000 37.27803 0.6623221 44.19469 0.9075557 -6.916668      1.123534  
1 1 1 6   7  18 o 94.03013 0.6784434 4530.852   65.37008 4850.900  122.4000 4164.000   140.3000 97.27474 1.227956  90.11082 1.519436  7.163918       1.953602  
1 1 1 6   7  19 o 88.35814 0.5603024 4000.572   50.73030 4128.800  103.5000 3877.300   99.50000 89.74401 1.125477  86.96815 1.116515  2.775856       1.585340  
1 1 1 6   7  20 o 60.55836 0.5136188 1879.206   31.87230 1752.500  49.50000 2108.300   89.50000 58.47500 0.8261075 64.11790 1.362214  -5.642895      1.593136  
1 1 1 6   7  21 f 67.39938 0.5454843 2327.863   37.67355 2194.300  59.50000 2558.400   102.7000 65.42767 0.8874770 70.62174 1.419168  -5.194069      1.673814  
1 1 1 6   7  22 o 39.37527 0.4117392 794.4519   16.61285 777.4000  26.20000 824.0000   45.40000 38.94680 0.6564946 40.07061 1.106745  -1.123810      1.286806  
1 1 1 6   7  23 o 70.88640 0.5460056 2575.175   39.66052 2585.100  65.60000 2560.000   100.3000 71.00698 0.9015803 70.62743 1.385891  0.3795547      1.653343  
1 1 1 6   7  24 o 95.60350 0.7205983 4685.566   70.59361 5025.400  125.9000 4251.800   160.7000 98.95461 1.241628  90.94913 1.724324  8.005478       2.124837  
1 1 1 6   7  25 o 54.94392 0.7957195 1548.000   44.80000 1548.000  44.80000 ?          ?        54.94392 0.7957195 ?        ?         0.000000       0.7957195 
1 1 1 6   7  26 o 68.86504 1.517722  2438.300   107.1000 2438.300  107.1000 ?          ?        68.86504 1.517722  ?        ?         0.000000       1.517722  
1 1 1 6   8  0  o 185.6120 1.477413  0.000000   0.000000 ?         ?        17657.60   281.0000 ?        ?         185.6120 1.477413  0.000000       1.477413  
1 1 1 6   8  1  o 114.4817 0.9410975 0.000000   0.000000 ?         ?        6715.900   110.4000 ?        ?         114.4817 0.9410975 0.000000       0.9410975 
1 1 1 6   8  2  o 156.8498 1.882723  0.000000   0.000000 ?         ?        12612.60   302.6000 ?        ?         156.8498 1.882723  0.000000       1.882723  
1 1 1 6   8  3  o 90.83360 1.193628  0.000000   0.000000 ?         ?        4228.400   111.1000 ?        ?         90.83360 1.193628  0.000000       1.193628  
1 1 1 6   8  4  o 98.64599 1.263319  0.000000   0.000000 ?         ?        4987.300   127.7000 ?        ?         98.64599 1.263319  0.000000       1.263319  
1 1 1 6   8  5  o 86.31029 1.128417  0.000000   0.000000 ?         ?        3817.800   99.80000 ?        ?         86.31029 1.128417  0.000000       1.128417  
1 1 1 6   8  6  o 140.5011 1.714223  0.000000   0.000000 ?         ?        10121.10   246.8000 ?        ?         140.5011 1.714223  0.000000       1.714223  
1 1 1 6   8  7  o 64.22269 0.9421169 0.000000   0.000000 ?         ?        2113.700   62.00000 ?        ?         64.22269 0.9421169 0.000000       0.9421169 
1 1 1 6   8  8  o 124.5437 1.563229  0.000000   0.000000 ?         ?        7952.400   199.5000 ?        ?         124.5437 1.563229  0.000000       1.563229  
1 1 1 6   8  9  o 78.66388 1.099158  0.000000   0.000000 ?         ?        3171.500   88.60000 ?        ?         78.66388 1.099158  0.000000       1.099158  
1 1 1 6   8  10 o 162.9200 1.950346  0.000000   0.000000 ?         ?        13614.20   325.6000 ?        ?         162.9200 1.950346  0.000000       1.950346  
1 1 1 6   8  11 f 57.35823 0.9714981 0.000000   0.000000 ?         ?        1686.100   57.10000 ?        ?         57.35823 0.9714981 0.000000       0.9714981 
1 1 1 6   8  12 o 31.67694 0.2539928 514.1188   8.244474 662.0000  23.50000 434.2000   12.70000 35.94326 0.6380460 29.11042 0.4257521 6.832836       0.7670512 
1 1 1 6   8  13 o 92.57202 0.5733088 4391.105   54.38345 4788.700  151.3000 4168.000   84.90000 96.64104 1.527844  90.18217 0.9187316 6.458862       1.782800  
1 1 1 6   8  14 o 36.71880 0.3474886 690.8168   13.07457 705.4000  26.30000 676.4000   26.00000 37.10212 0.6917651 36.33139 0.6983818 0.7707214      0.9829935 
1 1 1 6   8  15 o 83.99027 0.6738359 3614.902   57.99379 3683.100  117.2000 3548.100   114.8000 84.75826 1.349420  83.19051 1.346697  1.567757       1.906443  
1 1 1 6   8  16 o 91.15498 0.7392944 4258.146   69.05518 4521.300  147.3000 4025.900   130.0000 93.89699 1.530921  88.60863 1.431756  5.288353       2.096102  
1 1 1 6   8  17 o 62.94073 0.5401226 2029.956   34.83553 2165.700  72.80000 1905.400   66.80000 64.99845 1.093025  60.96797 1.069243  4.030483       1.529047  
1 1 1 6   8  18 o 83.64682 1.386017  3588.200   118.8000 3588.200  118.8000 ?          ?        83.64682 1.386017  ?        ?         0.000000       1.386017  
1 1 1 6   8  19 o 90.49612 1.486007  4201.100   137.8000 4201.100  137.8000 ?          ?        90.49612 1.486007  ?        ?         0.000000       1.486007  
1 1 1 6   8  20 o 91.37061 1.496350  4283.700   140.1000 4283.700  140.1000 ?          ?        91.37061 1.496350  ?        ?         0.000000       1.496350  
1 1 1 6   8  21 f 93.12430 1.167411  4447.900   111.4000 4447.900  111.4000 ?          ?        93.12430 1.167411  ?        ?         0.000000       1.167411  
1 1 1 6   8  22 o 57.45621 0.5184094 1691.822   30.52167 1690.600  46.90000 1694.100   87.40000 57.42533 0.7970232 57.42217 1.486616  0.3162384E-02  1.686794  
1 1 1 6   8  23 o 68.41985 0.5572386 2399.336   39.06805 2364.300  64.20000 2453.800   99.80000 67.89692 0.9227554 69.12412 1.408973  -1.227203      1.684245  
1 1 1 6   8  24 o 28.37756 0.6018172 412.8000   17.50000 412.8000  17.50000 ?          ?        28.37756 0.6018172 ?        ?         0.000000       0.6018172 
1 1 1 6   8  25 o 60.16083 1.500478  1861.000   92.50000 1861.000  92.50000 ?          ?        60.16083 1.500478  ?        ?         0.000000       1.500478  
1 1 1 6   9  0  o 90.46524 0.7820921 0.000000   0.000000 ?         ?        4193.700   72.50000 ?        ?         90.46524 0.7820921 0.000000       0.7820921 
1 1 1 6   9  1  o 118.5037 0.9873908 0.000000   0.000000 ?         ?        7196.800   119.9000 ?        ?         118.5037 0.9873908 0.000000       0.9873908 
1 1 1 6   9  2  o 56.10193 0.5096728 0.000000   0.000000 ?         ?        1612.700   29.30000 ?        ?         56.10193 0.5096728 0.000000       0.5096728 
1 1 1 6   9  3  o 37.06531 0.7635403 0.000000   0.000000 ?         ?        704.0000   29.00000 ?        ?         37.06531 0.7635403 0.000000       0.7635403 
1 1 1 6   9  4  o 146.0101 1.759825  0.000000   0.000000 ?         ?        10932.30   263.3000 ?        ?         146.0101 1.759825  0.000000       1.759825  
1 1 1 6   9  5  f 152.6231 1.826163  0.000000   0.000000 ?         ?        11946.00   285.6000 ?        ?         152.6231 1.826163  0.000000       1.826163  
1 1 1 6   9  6  o 118.2315 1.498115  0.000000   0.000000 ?         ?        7166.700   181.5000 ?        ?         118.2315 1.498115  0.000000       1.498115  
1 1 1 6   9  7  o 171.5387 2.040661  0.000000   0.000000 ?         ?        15095.10   358.7000 ?        ?         171.5387 2.040661  0.000000       2.040661  
1 1 1 6   9  8  o 121.5778 1.532333  0.000000   0.000000 ?         ?        7578.700   190.9000 ?        ?         121.5778 1.532333  0.000000       1.532333  
1 1 1 6   9  9  o 127.6592 1.619107  0.000000   0.000000 ?         ?        8356.700   211.8000 ?        ?         127.6592 1.619107  0.000000       1.619107  
1 1 1 6   9  10 o 83.47189 1.075596  0.000000   0.000000 ?         ?        3571.200   92.00000 ?        ?         83.47189 1.075596  0.000000       1.075596  
1 1 1 6   9  11 o 31.19875 0.7538440 0.000000   0.000000 ?         ?        498.8000   24.10000 ?        ?         31.19875 0.7538440 0.000000       0.7538440 
1 1 1 6   9  12 o 54.52911 0.9234702 0.000000   0.000000 ?         ?        1523.900   51.60000 ?        ?         54.52911 0.9234702 0.000000       0.9234702 
1 1 1 6   9  13 o 58.46874 0.6526113 0.000000   0.000000 ?         ?        1751.800   39.10000 ?        ?         58.46874 0.6526113 0.000000       0.6526113 
1 1 1 6   9  14 o 85.08408 0.5279087 3709.485   46.02624 3631.700  114.2000 3762.000   77.10000 84.16236 1.324188  85.67576 0.8782094 -1.513397      1.588939  
1 1 1 6   9  15 o 36.02052 0.3820017 664.8083   14.09982 789.8000  28.30000 540.7000   28.10000 39.25786 0.7034957 32.46969 0.8452775 6.788170       1.099727  
1 1 1 6   9  16 o 79.69611 0.5876063 3254.752   47.98682 3487.400  111.4000 3078.700   84.30000 82.46648 1.318285  77.49555 1.061579  4.970932       1.692580  
1 1 1 6   9  17 f 53.33421 0.5349405 1457.636   29.23545 1435.800  48.90000 1490.100   72.70000 52.92548 0.9016660 53.90323 1.316198  -0.9777489     1.595424  
1 1 1 6   9  18 o 20.52471 0.7477400 216.2000   15.70000 216.2000  15.70000 ?          ?        20.52471 0.7477400 ?        ?         0.000000       0.7477400 
1 1 1 6   9  19 o 123.0075 1.943731  7774.400   245.0000 7774.400  245.0000 ?          ?        123.0075 1.943731  ?        ?         0.000000       1.943731  
1 1 1 6   9  20 o 24.05813 0.6740251 296.9000   16.60000 296.9000  16.60000 ?          ?        24.05813 0.6740251 ?        ?         0.000000       0.6740251 
1 1 1 6   9  21 o 52.89716 0.9316669 1435.000   50.50000 1435.000  50.50000 ?          ?        52.89716 0.9316669 ?        ?         0.000000       0.9316669 
1 1 1 6   9  22 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 6   9  23 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 6   10 0  o 157.1298 1.265127  0.000000   0.000000 ?         ?        12656.10   203.7000 ?        ?         157.1298 1.265127  0.000000       1.265127  
1 1 1 6   10 1  o 67.28765 0.6004359 0.000000   0.000000 ?         ?        2320.000   41.40000 ?        ?         67.28765 0.6004359 0.000000       0.6004359 
1 1 1 6   10 2  o 71.35386 0.6263970 0.000000   0.000000 ?         ?        2608.900   45.80000 ?        ?         71.35386 0.6263970 0.000000       0.6263970 
1 1 1 6   10 3  o 109.7508 0.8971917 0.000000   0.000000 ?         ?        6173.000   100.9000 ?        ?         109.7508 0.8971917 0.000000       0.8971917 
1 1 1 6   10 4  o 152.2243 1.775173  0.000000   0.000000 ?         ?        11884.60   276.9000 ?        ?         152.2243 1.775173  0.000000       1.775173  
1 1 1 6   10 5  o 74.87445 1.055730  0.000000   0.000000 ?         ?        2873.400   81.00000 ?        ?         74.87445 1.055730  0.000000       1.055730  
1 1 1 6   10 6  o 79.27285 1.126415  0.000000   0.000000 ?         ?        3221.100   91.50000 ?        ?         79.27285 1.126415  0.000000       1.126415  
1 1 1 6   10 7  o 124.6355 1.513532  0.000000   0.000000 ?         ?        7965.200   193.3000 ?        ?         124.6355 1.513532  0.000000       1.513532  
1 1 1 6   10 8  o 71.36372 0.9859603 0.000000   0.000000 ?         ?        2610.200   72.10000 ?        ?         71.36372 0.9859603 0.000000       0.9859603 
1 1 1 6   10 9  o 108.5809 1.382307  0.000000   0.000000 ?         ?        6044.800   153.8000 ?        ?         108.5809 1.382307  0.000000       1.382307  
1 1 1 6   10 10 o 26.11970 0.8379998 0.000000   0.000000 ?         ?        350.0000   22.40000 ?        ?         26.11970 0.8379998 0.000000       0.8379998 
1 1 1 6   10 11 o 75.42895 1.073845  0.000000   0.000000 ?         ?        2916.400   83.00000 ?        ?         75.42895 1.073845  0.000000       1.073845  
1 1 1 6   10 12 o 59.39620 0.8461554 0.000000   0.000000 ?         ?        1808.100   51.50000 ?        ?         59.39620 0.8461554 0.000000       0.8461554 
1 1 1 6   10 13 o 37.13351 0.7989308 0.000000   0.000000 ?         ?        706.7000   30.40000 ?        ?         37.13351 0.7989308 0.000000       0.7989308 
1 1 1 6   10 14 o 102.2510 1.388664  0.000000   0.000000 ?         ?        5362.300   145.5000 ?        ?         102.2510 1.388664  0.000000       1.388664  
1 1 1 6   10 15 o 65.76633 0.9422622 0.000000   0.000000 ?         ?        2217.200   63.50000 ?        ?         65.76633 0.9422622 0.000000       0.9422622 
1 1 1 6   10 16 o 105.6435 1.345917  0.000000   0.000000 ?         ?        5725.200   145.7000 ?        ?         105.6435 1.345917  0.000000       1.345917  
1 1 1 6   10 17 o 50.34437 0.4474234 1298.787   23.08171 1425.300  47.50000 1179.200   44.90000 52.72758 0.8791387 47.95876 0.9136504 4.768822       1.267928  
1 1 1 6   10 18 o 34.69135 0.3666690 616.6862   13.03448 728.1000  27.00000 512.7000   25.20000 37.68895 0.6991193 31.62475 0.7776336 6.064199       1.045697  
1 1 1 6   10 19 o 90.68102 0.6385127 4215.012   59.33137 4223.400  134.6000 4208.400   106.1000 90.68575 1.448464  90.56445 1.143297  0.1212921      1.845312  
1 1 1 6   10 20 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 6   10 21 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 6   10 22 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 6   11 0  o 107.2319 0.9009754 0.000000   0.000000 ?         ?        5893.100   99.00000 ?        ?         107.2319 0.9009754 0.000000       0.9009754 
1 1 1 6   11 1  o 134.3932 1.092124  0.000000   0.000000 ?         ?        9257.900   150.4000 ?        ?         134.3932 1.092124  0.000000       1.092124  
1 1 1 6   11 2  o 42.27428 0.4478443 0.000000   0.000000 ?         ?        915.7000   19.40000 ?        ?         42.27428 0.4478443 0.000000       0.4478443 
1 1 1 6   11 3  f 156.0580 1.243800  0.000000   0.000000 ?         ?        12485.10   198.9000 ?        ?         156.0580 1.243800  0.000000       1.243800  
1 1 1 6   11 4  o 63.18131 0.5684088 0.000000   0.000000 ?         ?        2045.500   36.80000 ?        ?         63.18131 0.5684088 0.000000       0.5684088 
1 1 1 6   11 5  o 165.0805 1.953197  0.000000   0.000000 ?         ?        13983.30   330.4000 ?        ?         165.0805 1.953197  0.000000       1.953197  
1 1 1 6   11 6  o 19.96886 1.158320  0.000000   0.000000 ?         ?        205.1000   23.60000 ?        ?         19.96886 1.158320  0.000000       1.158320  
1 1 1 6   11 7  o 49.95279 0.7970803 0.000000   0.000000 ?         ?        1278.800   40.80000 ?        ?         49.95279 0.7970803 0.000000       0.7970803 
1 1 1 6   11 8  o 22.28652 0.8202431 0.000000   0.000000 ?         ?        254.9000   18.70000 ?        ?         22.28652 0.8202431 0.000000       0.8202431 
1 1 1 6   11 9  o 27.18223 0.8807575 0.000000   0.000000 ?         ?        379.1000   24.50000 ?        ?         27.18223 0.8807575 0.000000       0.8807575 
1 1 1 6   11 10 o 122.5901 1.522068  0.000000   0.000000 ?         ?        7709.000   191.2000 ?        ?         122.5901 1.522068  0.000000       1.522068  
1 1 1 6   11 11 o 100.6945 1.284138  0.000000   0.000000 ?         ?        5199.700   132.5000 ?        ?         100.6945 1.284138  0.000000       1.284138  
1 1 1 6   11 12 o 27.11545 0.8179136 0.000000   0.000000 ?         ?        377.2000   22.70000 ?        ?         27.11545 0.8179136 0.000000       0.8179136 
1 1 1 6   11 13 o 26.95972 0.8917010 0.000000   0.000000 ?         ?        373.0000   24.60000 ?        ?         26.95972 0.8917010 0.000000       0.8917010 
1 1 1 6   11 14 o 44.83484 0.7901193 0.000000   0.000000 ?         ?        1030.400   36.30000 ?        ?         44.83484 0.7901193 0.000000       0.7901193 
1 1 1 6   11 15 o 29.53736 0.7103434 0.000000   0.000000 ?         ?        447.2000   21.50000 ?        ?         29.53736 0.7103434 0.000000       0.7103434 
1 1 1 6   11 16 o 74.28780 0.9891886 0.000000   0.000000 ?         ?        2830.300   75.30000 ?        ?         74.28780 0.9891886 0.000000       0.9891886 
1 1 1 6   11 17 o 78.38388 1.113044  0.000000   0.000000 ?         ?        3152.600   89.40000 ?        ?         78.38388 1.113044  0.000000       1.113044  
1 1 1 6   11 18 o 82.50452 1.603923  0.000000   0.000000 ?         ?        3500.100   135.6000 ?        ?         82.50452 1.603923  0.000000       1.603923  
1 1 1 6   11 19 o 38.74582 1.109371  0.000000   0.000000 ?         ?        771.3000   44.00000 ?        ?         38.74582 1.109371  0.000000       1.109371  
1 1 1 6   11 20 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 6   12 0  o 131.7593 1.082108  0.000000   0.000000 ?         ?        8899.400   146.1000 ?        ?         131.7593 1.082108  0.000000       1.082108  
1 1 1 6   12 1  o 97.91325 0.8352264 0.000000   0.000000 ?         ?        4913.500   83.80000 ?        ?         97.91325 0.8352264 0.000000       0.8352264 
1 1 1 6   12 2  o 105.8623 1.064737  0.000000   0.000000 ?         ?        5744.900   115.5000 ?        ?         105.8623 1.064737  0.000000       1.064737  
1 1 1 6   12 3  o 78.11304 1.089418  0.000000   0.000000 ?         ?        3128.000   87.20000 ?        ?         78.11304 1.089418  0.000000       1.089418  
1 1 1 6   12 4  o 8.187663 1.957463  0.000000   0.000000 ?         ?        35.80000   16.20000 ?        ?         8.187663 1.957463  0.000000       1.957463  
1 1 1 6   12 5  o 101.9414 1.259815  0.000000   0.000000 ?         ?        5328.900   131.6000 ?        ?         101.9414 1.259815  0.000000       1.259815  
1 1 1 6   12 6  f 60.92683 0.8681452 0.000000   0.000000 ?         ?        1902.700   54.20000 ?        ?         60.92683 0.8681452 0.000000       0.8681452 
1 1 1 6   12 7  o 124.9371 1.528625  0.000000   0.000000 ?         ?        8008.500   195.7000 ?        ?         124.9371 1.528625  0.000000       1.528625  
1 1 1 6   12 8  o 156.9319 1.863083  0.000000   0.000000 ?         ?        12645.40   299.6000 ?        ?         156.9319 1.863083  0.000000       1.863083  
1 1 1 6   12 9  o 103.0146 1.302583  0.000000   0.000000 ?         ?        5443.400   137.5000 ?        ?         103.0146 1.302583  0.000000       1.302583  
1 1 1 6   12 10 o 58.67657 0.8715016 0.000000   0.000000 ?         ?        1765.000   52.40000 ?        ?         58.67657 0.8715016 0.000000       0.8715016 
1 1 1 6   12 11 o 44.49328 0.7917980 0.000000   0.000000 ?         ?        1014.800   36.10000 ?        ?         44.49328 0.7917980 0.000000       0.7917980 
1 1 1 6   12 12 o 10.14271 1.777398  0.000000   0.000000 ?         ?        54.40000   17.80000 ?        ?         10.14271 1.777398  0.000000       1.777398  
1 1 1 6   12 13 o 38.66401 0.7774016 0.000000   0.000000 ?         ?        766.4000   30.80000 ?        ?         38.66401 0.7774016 0.000000       0.7774016 
1 1 1 6   12 14 o 60.96988 0.9587671 0.000000   0.000000 ?         ?        1906.700   59.90000 ?        ?         60.96988 0.9587671 0.000000       0.9587671 
1 1 1 6   12 15 o 6.774408 2.567588  0.000000   0.000000 ?         ?        16.90000   24.50000 ?        ?         6.774408 2.567588  0.000000       2.567588  
1 1 1 6   12 16 o 66.57743 1.446744  0.000000   0.000000 ?         ?        2278.500   98.70000 ?        ?         66.57743 1.446744  0.000000       1.446744  
1 1 1 6   12 17 o 52.79188 1.146110  0.000000   0.000000 ?         ?        1431.200   62.00000 ?        ?         52.79188 1.146110  0.000000       1.146110  
1 1 1 6   12 18 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 6   13 0  o 48.83780 0.8472497 0.000000   0.000000 ?         ?        1222.600   42.40000 ?        ?         48.83780 0.8472497 0.000000       0.8472497 
1 1 1 6   13 1  o 74.55518 0.9987305 0.000000   0.000000 ?         ?        2849.800   76.30000 ?        ?         74.55518 0.9987305 0.000000       0.9987305 
1 1 1 6   13 2  o 139.0781 1.646857  0.000000   0.000000 ?         ?        9929.000   234.7000 ?        ?         139.0781 1.646857  0.000000       1.646857  
1 1 1 6   13 3  o 60.59504 0.9244352 0.000000   0.000000 ?         ?        1882.400   57.40000 ?        ?         60.59504 0.9244352 0.000000       0.9244352 
1 1 1 6   13 4  o 70.09627 1.012141  0.000000   0.000000 ?         ?        2519.400   72.70000 ?        ?         70.09627 1.012141  0.000000       1.012141  
1 1 1 6   13 5  o 51.16951 0.8067347 0.000000   0.000000 ?         ?        1342.200   42.30000 ?        ?         51.16951 0.8067347 0.000000       0.8067347 
1 1 1 6   13 6  o 42.93123 0.7819640 0.000000   0.000000 ?         ?        944.8000   34.40000 ?        ?         42.93123 0.7819640 0.000000       0.7819640 
1 1 1 6   13 7  o 35.39354 0.6865577 0.000000   0.000000 ?         ?        642.1000   24.90000 ?        ?         35.39354 0.6865577 0.000000       0.6865577 
1 1 1 6   13 8  o 46.18725 0.8155804 0.000000   0.000000 ?         ?        1093.700   38.60000 ?        ?         46.18725 0.8155804 0.000000       0.8155804 
1 1 1 6   13 9  o 81.14156 1.045149  0.000000   0.000000 ?         ?        3377.300   86.90000 ?        ?         81.14156 1.045149  0.000000       1.045149  
1 1 1 6   13 10 o 51.57332 0.8288018 0.000000   0.000000 ?         ?        1363.900   43.80000 ?        ?         51.57332 0.8288018 0.000000       0.8288018 
1 1 1 6   13 11 o 48.87381 0.8026968 0.000000   0.000000 ?         ?        1224.900   40.20000 ?        ?         48.87381 0.8026968 0.000000       0.8026968 
1 1 1 6   13 12 o 23.05350 1.095288  0.000000   0.000000 ?         ?        273.4000   25.80000 ?        ?         23.05350 1.095288  0.000000       1.095288  
1 1 1 6   13 13 o 55.78922 1.259459  0.000000   0.000000 ?         ?        1598.900   72.00000 ?        ?         55.78922 1.259459  0.000000       1.259459  
1 1 1 6   13 14 o 3.978790 1.934160  0.000000   0.000000 ?         ?        -43.70000  25.00000 ?        ?         3.978790 1.934160  0.000000       1.934160  
1 1 1 6   13 15 o 26.97327 0.9566655 0.000000   0.000000 ?         ?        373.9000   26.40000 ?        ?         26.97327 0.9566655 0.000000       0.9566655 
1 1 1 6   14 0  o 87.66818 1.132089  0.000000   0.000000 ?         ?        3943.200   101.7000 ?        ?         87.66818 1.132089  0.000000       1.132089  
1 1 1 6   14 1  o 71.15335 1.002591  0.000000   0.000000 ?         ?        2596.800   73.10000 ?        ?         71.15335 1.002591  0.000000       1.002591  
1 1 1 6   14 2  o 37.95689 0.7224658 0.000000   0.000000 ?         ?        738.6000   28.10000 ?        ?         37.95689 0.7224658 0.000000       0.7224658 
1 1 1 6   14 3  o 22.98404 0.8762716 0.000000   0.000000 ?         ?        271.3000   20.60000 ?        ?         22.98404 0.8762716 0.000000       0.8762716 
1 1 1 6   14 4  o 47.13577 0.8550687 0.000000   0.000000 ?         ?        1139.400   41.30000 ?        ?         47.13577 0.8550687 0.000000       0.8550687 
1 1 1 6   14 5  o 33.83509 0.7527916 0.000000   0.000000 ?         ?        587.0000   26.10000 ?        ?         33.83509 0.7527916 0.000000       0.7527916 
1 1 1 6   14 6  o 18.84199 1.018943  0.000000   0.000000 ?         ?        182.7000   19.60000 ?        ?         18.84199 1.018943  0.000000       1.018943  
1 1 1 6   14 7  o 60.49029 0.9018365 0.000000   0.000000 ?         ?        1877.100   55.90000 ?        ?         60.49029 0.9018365 0.000000       0.9018365 
1 1 1 6   14 8  o 63.74458 0.8986621 0.000000   0.000000 ?         ?        2084.700   58.70000 ?        ?         63.74458 0.8986621 0.000000       0.8986621 
1 1 1 6   14 9  o 6.507808 2.506742  0.000000   0.000000 ?         ?        14.50000   23.60000 ?        ?         6.507808 2.506742  0.000000       2.506742  
1 1 1 6   14 10 o 36.91398 1.124881  0.000000   0.000000 ?         ?        700.5000   42.50000 ?        ?         36.91398 1.124881  0.000000       1.124881  
1 1 1 6   14 11 o 32.79898 1.027772  0.000000   0.000000 ?         ?        552.9000   34.50000 ?        ?         32.79898 1.027772  0.000000       1.027772  
1 1 1 6   15 0  o 37.90022 0.7827687 0.000000   0.000000 ?         ?        736.8000   30.40000 ?        ?         37.90022 0.7827687 0.000000       0.7827687 
1 1 1 6   15 1  o 59.05207 0.8808331 0.000000   0.000000 ?         ?        1789.300   53.30000 ?        ?         59.05207 0.8808331 0.000000       0.8808331 
1 1 1 6   15 2  o 48.34530 0.7993602 0.000000   0.000000 ?         ?        1199.000   39.60000 ?        ?         48.34530 0.7993602 0.000000       0.7993602 
1 1 1 6   15 3  o 22.95856 0.8387913 0.000000   0.000000 ?         ?        270.8000   19.70000 ?        ?         22.95856 0.8387913 0.000000       0.8387913 
1 1 1 6   15 4  o 90.85961 1.656209  0.000000   0.000000 ?         ?        4253.900   154.2000 ?        ?         90.85961 1.656209  0.000000       1.656209  
1 1 1 6   15 5  o 26.22884 1.133765  0.000000   0.000000 ?         ?        354.1000   30.40000 ?        ?         26.22884 1.133765  0.000000       1.133765  
1 1 1 6   15 6  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 7   0  0  o 241.4052 2.760659  29878.30   682.7000 29878.30  682.7000 29878.30   682.7000 241.4052 2.760659  241.4052 2.760659  0.000000       0.000000  
1 1 1 7   0  1  o 98.65537 1.241880  4989.300   125.5000 4989.300  125.5000 4989.300   125.5000 98.65537 1.241880  98.65537 1.241880  0.000000       0.000000  
1 1 1 7   0  2  o 238.1818 3.876680  29103.60   945.6000 29103.60  945.6000 29103.60   945.6000 238.1818 3.876680  238.1818 3.876680  0.000000       0.000000  
1 1 1 7   0  3  o 357.3676 4.004179  65491.80   1465.900 65491.80  1465.900 65491.80   1465.900 357.3676 4.004179  357.3676 4.004179  0.000000       0.000000  
1 1 1 7   0  4  o 14.05669 0.7052674 102.0000   10.10000 102.0000  10.10000 102.0000   10.10000 14.05669 0.7052674 14.05669 0.7052674 0.000000       0.000000  
1 1 1 7   0  5  f 296.1125 3.368837  44958.80   1021.900 44958.80  1021.900 44958.80   1021.900 296.1125 3.368837  296.1125 3.368837  0.000000       0.000000  
1 1 1 7   0  6  o 141.0684 1.680194  10201.30   242.8000 10201.30  242.8000 10201.30   242.8000 141.0684 1.680194  141.0684 1.680194  0.000000       0.000000  
1 1 1 7   0  7  o 51.44362 0.8655900 1357.100   45.60000 1357.100  45.60000 1357.100   45.60000 51.44362 0.8655900 51.44362 0.8655900 0.000000       0.000000  
1 1 1 7   0  8  f 96.87610 1.294980  4811.300   128.5000 4811.300  128.5000 4811.300   128.5000 96.87610 1.294980  96.87610 1.294980  0.000000       0.000000  
1 1 1 7   0  9  o 449.0089 7.039310  103586.0   3237.000 103586.0  3237.000 103586.0   3237.000 449.0089 7.039310  449.0089 7.039310  0.000000       0.000000  
1 1 1 7   0  10 o 158.4020 1.871023  12863.00   303.6000 12863.00  303.6000 12863.00   303.6000 158.4020 1.871023  158.4020 1.871023  0.000000       0.000000  
1 1 1 7   0  11 o 75.56352 1.071126  2927.400   82.90000 2927.400  82.90000 2927.400   82.90000 75.56352 1.071126  75.56352 1.071126  0.000000       0.000000  
1 1 1 7   0  12 o 348.6148 3.939245  62355.30   1406.800 62355.30  1406.800 62355.30   1406.800 348.6148 3.939245  348.6148 3.939245  0.000000       0.000000  
1 1 1 7   0  13 o 144.0168 1.738675  10633.80   256.5000 10633.80  256.5000 10633.80   256.5000 144.0168 1.738675  144.0168 1.738675  0.000000       0.000000  
1 1 1 7   0  14 o 152.9106 1.866754  11989.00   292.4000 11989.00  292.4000 11989.00   292.4000 152.9106 1.866754  152.9106 1.866754  0.000000       0.000000  
1 1 1 7   0  15 o 132.3639 1.644705  8983.400   223.0000 8983.400  223.0000 8983.400   223.0000 132.3639 1.644705  132.3639 1.644705  0.000000       0.000000  
1 1 1 7   0  16 o 50.46834 0.8455494 1306.200   43.70000 1306.200  43.70000 1306.200   43.70000 50.46834 0.8455494 50.46834 0.8455494 0.000000       0.000000  
1 1 1 7   0  17 o 139.0311 1.729440  9912.000   246.3000 9912.000  246.3000 9912.000   246.3000 139.0311 1.729440  139.0311 1.729440  0.000000       0.000000  
1 1 1 7   0  18 o 35.41815 0.8165618 643.8000   29.60000 643.8000  29.60000 643.8000   29.60000 35.41815 0.8165618 35.41815 0.8165618 0.000000       0.000000  
1 1 1 7   0  19 o 62.78326 0.9766845 2021.300   62.80000 2021.300  62.80000 2021.300   62.80000 62.78326 0.9766845 62.78326 0.9766845 0.000000       0.000000  
1 1 1 7   0  20 o 88.13641 1.227371  3983.200   110.8000 3983.200  110.8000 3983.200   110.8000 88.13641 1.227371  88.13641 1.227371  0.000000       0.000000  
1 1 1 7   0  21 o 79.06995 1.306602  3206.800   105.8000 3206.800  105.8000 3206.800   105.8000 79.06995 1.306602  79.06995 1.306602  0.000000       0.000000  
1 1 1 7   0  22 o 101.5846 1.338735  5291.800   139.3000 5291.800  139.3000 5291.800   139.3000 101.5846 1.338735  101.5846 1.338735  0.000000       0.000000  
1 1 1 7   0  23 o 1.810767 1.310001  -25.10000  12.80000 -25.10000 12.80000 -25.10000  12.80000 1.810767 1.310001  1.810767 1.310001  0.000000       0.000000  
1 1 1 7   0  24 o 152.9169 1.854540  11997.30   290.5000 11997.30  290.5000 11997.30   290.5000 152.9169 1.854540  152.9169 1.854540  0.000000       0.000000  
1 1 1 7   0  25 o 139.8641 1.745667  10037.60   250.1000 10037.60  250.1000 10037.60   250.1000 139.8641 1.745667  139.8641 1.745667  0.000000       0.000000  
1 1 1 7   0  26 o 73.76530 1.068140  2791.000   80.70000 2791.000  80.70000 2791.000   80.70000 73.76530 1.068140  73.76530 1.068140  0.000000       0.000000  
1 1 1 7   0  27 o 92.24494 1.189565  4365.200   112.4000 4365.200  112.4000 4365.200   112.4000 92.24494 1.189565  92.24494 1.189565  0.000000       0.000000  
1 1 1 7   0  28 o 16.37647 0.8575531 138.6000   14.30000 138.6000  14.30000 138.6000   14.30000 16.37647 0.8575531 16.37647 0.8575531 0.000000       0.000000  
1 1 1 7   1  0  o 225.2794 1.281691  26005.36   295.8716 26574.00  599.8000 25451.80   583.9000 227.6883 2.570794  222.8295 2.557216  4.858841       3.626063  
1 1 1 7   1  1  o 120.5646 0.7367411 7447.734   91.01923 7464.400  180.6000 7430.800   183.5000 120.6929 1.460286  120.4206 1.487089  0.2722778      2.084195  
1 1 1 7   1  2  o 513.1249 3.306823  134997.1   1738.731 133669.0  2920.000 136952.0   4298.000 510.2574 5.584640  515.8990 8.130239  -5.641602      9.863518  
1 1 1 7   1  3  o 19.55052 0.5646469 196.0000   11.30000 196.0000  11.30000 ?          ?        19.55052 0.5646469 ?        ?         0.000000       0.5646469 
1 1 1 7   1  4  o 221.3484 1.279811  25105.43   290.2823 24493.80  556.0000 25773.60   607.4000 218.6032 2.482104  224.2354 2.643457  -5.632202      3.626114  
1 1 1 7   1  5  o 126.6632 0.7733299 8220.288   100.3723 8427.200  199.7000 8011.200   201.8000 128.2400 1.519694  125.0340 1.575051  3.205994       2.188665  
1 1 1 7   1  6  o 336.1716 1.876351  57915.97   646.3586 57336.30  1275.600 58511.40   1310.300 334.3631 3.723041  337.7664 3.785784  -3.403351      5.309727  
1 1 1 7   1  7  o 236.3057 1.351809  28613.79   327.3317 29207.80  659.6000 28028.60   649.8000 238.6980 2.696706  233.8292 2.711956  4.868790       3.824517  
1 1 1 7   1  8  o 194.2918 1.326715  19343.58   264.1377 19078.40  629.3000 19535.40   455.2000 192.8922 3.183791  195.2266 2.275437  -2.334396      3.913329  
1 1 1 7   1  9  o 101.5744 0.9672584 5286.545   100.6758 4905.600  197.0000 5684.700   205.9000 97.83408 1.965069  105.3178 1.907902  -7.483765      2.738902  
1 1 1 7   1  10 o 84.71844 0.6470431 3677.407   56.17066 4121.100  146.5000 3401.500   91.10000 89.67461 1.594299  81.47535 1.091173  8.199257       1.931955  
1 1 1 7   1  11 o 125.9432 0.7574313 8127.300   97.74990 8126.800  195.3000 8127.800   195.7000 125.9270 1.513510  125.9346 1.516517  -0.7682800E-02 2.142553  
1 1 1 7   1  12 o 122.5649 0.7646810 7697.244   96.03837 8103.500  199.6000 7320.500   185.1000 125.7422 1.549106  119.5139 1.511435  6.228271       2.164293  
1 1 1 7   1  13 o 35.28923 0.3272285 638.0582   11.83291 643.3000  24.60000 633.2000   22.80000 35.43287 0.6775330 35.15378 0.6329427 0.2790871      0.9271825 
1 1 1 7   1  14 f 14.21182 0.4882412 103.6097   7.099653 73.80000  12.70000 141.4000   16.10000 11.95469 1.047301  16.58398 0.9514042 -4.629293      1.414924  
1 1 1 7   1  15 o 47.61529 0.4073133 1161.656   19.87346 1178.100  40.10000 1145.500   39.40000 47.94835 0.8161543 47.28032 0.8132377 0.6680336      1.152156  
1 1 1 7   1  16 o 108.0221 0.6867579 5979.215   76.01771 5795.000  144.5000 6183.700   160.4000 106.3283 1.326236  109.8327 1.425195  -3.504456      1.946813  
1 1 1 7   1  17 o 152.5353 0.9263916 11923.57   144.7983 12120.00  290.6000 11728.50   288.6000 153.7355 1.844688  151.2309 1.862334  2.504654       2.621290  
1 1 1 7   1  18 o 75.31409 0.5295053 2906.392   40.86438 3073.900  85.00000 2751.300   78.70000 77.44483 1.071095  73.26886 1.048231  4.175972       1.498677  
1 1 1 7   1  19 o 35.59176 0.3556972 649.0576   12.97264 642.3000  25.60000 656.0000   26.30000 35.40409 0.7056480 35.77959 0.7173349 -0.3754997     1.006235  
1 1 1 7   1  20 f 173.5545 1.049673  15437.92   186.6760 15583.80  379.5000 15296.70   367.4000 174.2802 2.125031  172.6728 2.076427  1.607361       2.971079  
1 1 1 7   1  21 o 83.53667 0.5593023 3575.769   47.87648 3466.800  92.80000 3691.900   98.90000 82.24127 1.101184  84.86808 1.137244  -2.626808      1.583013  
1 1 1 7   1  22 o 180.4793 1.087262  16696.60   201.0759 16176.90  397.8000 17227.80   406.6000 177.5210 2.186839  183.1997 2.165929  -5.678741      3.077907  
1 1 1 7   1  23 o 134.3588 0.8287717 9252.069   114.1037 9478.900  232.9000 9034.200   223.7000 135.9297 1.672079  132.7056 1.645048  3.224106       2.345641  
1 1 1 7   1  24 o 90.70791 0.5981368 4216.442   55.59606 4414.300  118.8000 4042.400   104.5000 92.78035 1.249574  88.79209 1.148533  3.988258       1.697223  
1 1 1 7   1  25 o 41.58644 0.3719546 886.1622   15.85039 883.2000  33.00000 888.9000   30.50000 41.51027 0.7758183 41.64530 0.7147192 -0.1350327     1.054854  
1 1 1 7   1  26 o 42.96216 0.3895994 945.7995   17.15153 854.2000  32.20000 1050.200   36.70000 40.82081 0.7697965 45.26175 0.7912912 -4.440941      1.103960  
1 1 1 7   1  27 o 25.97603 0.3820889 345.7676   10.17034 325.9000  19.30000 367.9000   21.50000 25.20184 0.7481830 26.77605 0.7844442 -1.574215      1.084034  
1 1 1 7   1  28 o 83.80659 0.5670900 3600.073   48.69995 3932.600  103.6000 3305.100   91.90000 87.53239 1.155028  80.25015 1.117561  7.282234       1.607182  
1 1 1 7   2  0  o 79.10822 0.5630024 3206.423   45.63838 3195.200  77.90000 3222.300   110.2000 78.96803 0.9626929 79.29978 1.356161  -0.3317490     1.663115  
1 1 1 7   2  1  o 30.07515 0.3384252 463.4333   10.42963 556.2000  17.60000 328.5000   25.60000 32.94788 0.5212989 25.30101 0.9893309 7.646862       1.118270  
1 1 1 7   2  2  f 257.9627 1.748727  34101.10   462.2504 34484.50  765.1000 33515.90   1167.800 259.3648 2.878782  255.6003 4.458706  3.764542       5.307301  
1 1 1 7   2  3  o 325.3885 1.810513  54258.30   603.6736 52952.10  1164.300 55664.80   1253.700 321.3507 3.535796  329.4653 3.713518  -8.114563      5.127580  
1 1 1 7   2  4  o 307.1372 1.720333  48341.49   541.4311 49151.30  1089.300 47541.20   1076.500 309.6066 3.433515  304.4922 3.450162  5.114441       4.867509  
1 1 1 7   2  5  o 101.2990 0.6418562 5257.642   66.62560 4985.000  122.2000 5584.500   146.5000 98.63387 1.209057  104.3949 1.369493  -5.761032      1.826836  
1 1 1 7   2  6  o 240.5783 1.366028  29657.89   336.7552 30480.00  685.0000 28862.90   662.4000 243.8397 2.741497  237.2840 2.724291  6.555710       3.864915  
1 1 1 7   2  7  f 200.7528 1.158816  20650.78   238.3826 21721.50  490.7000 19639.20   463.6000 205.8592 2.326202  195.7440 2.311301  10.11522       3.279227  
1 1 1 7   2  8  o 186.5186 1.080293  17826.04   206.4724 18172.80  414.4000 17481.70   411.5000 188.2973 2.147718  184.6813 2.174446  3.616013       3.056290  
1 1 1 7   2  9  o 178.3077 1.457411  16292.65   266.2874 15587.10  507.3000 17072.20   560.5000 174.3575 2.839395  182.4672 2.997730  -8.109634      4.128989  
1 1 1 7   2  10 o 229.9412 1.526071  27096.16   359.5753 26501.80  838.4000 27542.50   629.6000 227.2787 3.599931  231.7702 2.650994  -4.491516      4.470713  
1 1 1 7   2  11 o 120.4764 0.8711924 7437.273   107.5510 7143.300  255.0000 7651.700   186.0000 118.0442 2.108129  122.1898 1.485524  -4.145576      2.578951  
1 1 1 7   2  12 o 213.6816 1.244517  23399.23   272.4999 23786.70  545.3000 23012.20   544.7000 215.3711 2.470869  211.8328 2.509376  3.538269       3.521671  
1 1 1 7   2  13 o 296.5187 1.660708  45069.70   504.5958 44374.10  993.3000 45787.90   1025.600 294.0106 3.297002  298.6480 3.351351  -4.637451      4.701252  
1 1 1 7   2  14 o 120.5942 0.7564538 7452.012   93.47752 7506.900  189.9000 7398.800   184.1000 121.0149 1.531397  120.1418 1.495414  0.8731003      2.140429  
1 1 1 7   2  15 o 90.16510 0.5875823 4165.634   54.28821 3974.000  107.0000 4363.000   110.2000 88.05556 1.185847  92.26520 1.165588  -4.209633      1.662778  
1 1 1 7   2  16 o 60.16477 0.4639663 1854.712   28.60402 1874.900  55.70000 1833.400   58.80000 60.48682 0.8986614 59.81279 0.9593672 0.6740227      1.314526  
1 1 1 7   2  17 o 54.73199 0.4294920 1534.873   24.08767 1705.300  55.60000 1404.600   42.50000 57.68523 0.9406147 52.35469 0.7922002 5.330544       1.229771  
1 1 1 7   2  18 o 129.0454 0.8090370 8533.624   106.9817 8694.400  216.8000 8377.000   211.2000 130.2191 1.624749  127.8208 1.612479  2.398308       2.289082  
1 1 1 7   2  19 f 39.18055 0.3554694 786.5490   14.27155 893.4000  30.40000 692.0000   26.90000 41.75479 0.7105080 36.74819 0.7143613 5.006596       1.007538  
1 1 1 7   2  20 o 42.21273 0.8946830 913.2000   38.70000 913.2000  38.70000 ?          ?        42.21273 0.8946830 ?        ?         0.000000       0.8946830 
1 1 1 7   2  21 o 108.0876 0.7036552 5986.827   77.93528 6392.400  167.7000 5634.700   145.6000 111.6558 1.465728  104.8356 1.355358  6.820190       1.996335  
1 1 1 7   2  22 o 91.18797 0.5851276 4260.949   54.67471 4217.100  109.1000 4305.000   109.6000 90.69772 1.173897  91.63839 1.167172  -0.9406662     1.655392  
1 1 1 7   2  23 o 108.7374 0.7061056 6059.423   78.67685 6307.100  160.1000 5820.100   154.7000 110.8975 1.408871  106.5294 1.417171  4.368073       1.998322  
1 1 1 7   2  24 o 31.80155 0.3559684 518.2000   11.60000 550.6000  23.20000 485.8000   23.20000 32.77726 0.6907437 30.78755 0.7353846 1.989712       1.008919  
1 1 1 7   2  25 o 80.55865 0.5456014 3325.731   45.03872 3132.600  85.00000 3543.400   95.80000 78.16097 1.061281  83.12385 1.124713  -4.962875      1.546382  
1 1 1 7   2  26 o 25.39204 0.3603066 330.3821   9.374933 337.1000  18.80000 323.7000   18.70000 25.63428 0.7164145 25.11872 0.7272826 0.5155602      1.020877  
1 1 1 7   2  27 o 50.21305 0.3881666 1292.047   19.97253 1237.300  38.00000 1352.700   42.10000 49.12568 0.7548778 51.36343 0.7998890 -2.237751      1.099847  
1 1 1 7   2  28 o 29.78420 0.3784649 454.5966   11.55074 455.2000  20.30000 453.8000   26.80000 29.79781 0.6648341 29.73211 0.8806220 0.6569862E-01  1.103404  
1 1 1 7   3  0  o 69.78587 0.5045964 2495.230   36.08361 2356.100  59.00000 2714.300   92.90000 67.81136 0.8490851 72.78178 1.245646  -4.970428      1.507508  
1 1 1 7   3  1  o 244.2797 2.204029  30583.20   551.7000 30583.20  551.7000 ?          ?        244.2797 2.204029  ?        ?         0.000000       2.204029  
1 1 1 7   3  2  o 467.9558 5.030070  112388.0   2412.000 112388.0  2412.000 ?          ?        467.9558 5.030070  ?        ?         0.000000       5.030070  
1 1 1 7   3  3  o 258.4618 2.805017  34245.20   742.9000 34245.20  742.9000 ?          ?        258.4618 2.805017  ?        ?         0.000000       2.805017  
1 1 1 7   3  4  o 113.7640 0.6907524 6631.215   80.52406 7087.800  160.5000 6171.500   161.6000 117.6099 1.331781  109.7435 1.437024  7.866364       1.959255  
1 1 1 7   3  5  o 168.1717 0.9786600 14491.23   168.6488 14267.90  317.6000 14744.10   359.6000 166.8553 1.857556  169.6117 2.069024  -2.756363      2.780535  
1 1 1 7   3  6  o 429.8874 2.370164  94725.81   1044.074 93349.30  2019.700 96198.90   2161.400 426.4904 4.621460  432.9108 4.872348  -6.420441      6.715480  
1 1 1 7   3  7  o 46.42048 0.3593714 1104.059   17.09431 1203.800  32.80000 995.5000   35.70000 48.47135 0.6603746 44.07833 0.7903960 4.393021       1.029961  
1 1 1 7   3  8  o 241.2033 1.372315  29813.21   339.1841 30659.60  685.9000 28985.20   671.0000 244.5412 2.737225  237.7689 2.754032  6.772263       3.882923  
1 1 1 7   3  9  o 92.89975 0.6779822 4421.993   64.54033 4266.200  144.4000 4547.900   116.7000 91.23952 1.544492  94.20815 1.208882  -2.968628      1.961340  
1 1 1 7   3  10 o 211.6101 1.411273  22948.08   306.0170 23423.70  737.8000 22611.00   522.9000 213.6699 3.369745  210.0001 2.429969  3.669754       4.154507  
1 1 1 7   3  11 o 202.8192 1.362331  21081.52   283.1328 20446.20  648.9000 21573.30   502.3000 199.6228 3.172263  205.1148 2.389834  -5.492004      3.971720  
1 1 1 7   3  12 o 142.7399 0.9714465 10440.67   142.0897 10403.40  340.2000 10467.40   244.0000 142.4309 2.330943  142.9004 1.666319  -0.4694672     2.865294  
1 1 1 7   3  13 o 63.85659 0.4572022 2089.287   29.91661 2003.500  57.90000 2181.000   61.90000 62.52805 0.9036606 65.23885 0.9259468 -2.710800      1.293824  
1 1 1 7   3  14 o 170.5680 0.9887230 14909.46   172.8106 14840.40  342.5000 14979.80   348.8000 170.1154 1.964800  170.9104 1.991634  -0.7949829     2.797686  
1 1 1 7   3  15 o 82.90515 0.5526546 3521.798   46.94979 3617.000  94.10000 3427.000   93.70000 84.00895 1.093115  81.77213 1.118242  2.236816       1.563766  
1 1 1 7   3  16 o 63.68846 0.4435497 2078.320   28.94685 2302.700  66.10000 1903.500   51.50000 67.03191 0.9623243 60.94715 0.8246230 6.084763       1.267309  
1 1 1 7   3  17 o 34.59583 0.3408035 613.2392   12.08165 634.7000  25.70000 594.2000   22.80000 35.19407 0.7126318 34.05309 0.6534013 1.140987       0.9668388 
1 1 1 7   3  18 o 141.2906 0.8576110 10230.29   124.1658 9499.000  236.1000 11041.50   261.9000 136.1049 1.692871  146.7365 1.741802  -10.63162      2.428927  
1 1 1 7   3  19 o 81.18629 0.5422992 3377.330   45.11490 3379.300  88.90000 3375.300   91.60000 81.19930 1.068442  81.15032 1.101557  0.4897308E-01  1.534600  
1 1 1 7   3  20 o 73.77652 0.5025825 2788.954   37.99477 3056.600  83.10000 2563.500   70.00000 77.22449 1.050141  70.72366 0.9659062 6.500832       1.426804  
1 1 1 7   3  21 o 99.02998 0.6455089 5025.411   65.50393 4968.500  128.7000 5084.400   133.4000 98.44465 1.275816  99.58466 1.307269  -1.140015      1.826652  
1 1 1 7   3  22 o 49.62303 0.3933317 1261.726   20.00049 1461.500  47.40000 1115.900   34.60000 53.40008 0.8662397 46.66350 0.7236031 6.736584       1.128704  
1 1 1 7   3  23 o 75.16837 0.5110223 2895.338   39.36165 2825.400  77.30000 2967.900   80.20000 74.23963 1.016121  76.08823 1.028628  -1.848602      1.445883  
1 1 1 7   3  24 o 31.80267 0.3712734 518.2438   12.09917 500.7000  24.40000 535.5000   24.00000 31.25527 0.7618477 32.32377 0.7245876 -1.068497      1.051399  
1 1 1 7   3  25 o 71.46572 0.5121806 2617.314   37.50760 2826.700  82.90000 2444.300   68.50000 74.24163 1.089704  69.04444 0.9681965 5.197189       1.457690  
1 1 1 7   3  26 o 32.85565 0.3592456 553.1541   12.09483 614.7000  24.70000 494.1000   23.70000 34.62893 0.6960807 31.04553 0.7449908 3.583397       1.019578  
1 1 1 7   3  27 o 53.64211 0.4911850 1474.729   26.99910 1508.900  46.70000 1427.900   64.00000 54.24409 0.8401679 52.74489 1.184135  1.499207       1.451915  
1 1 1 7   3  28 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 7   4  0  o 277.9988 2.166424  39609.46   617.1414 40665.20  1304.300 38661.30   1171.400 281.5220 4.521336  274.5282 4.164088  6.993866       6.146715  
1 1 1 7   4  1  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 7   4  2  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 7   4  3  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 7   4  4  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 7   4  5  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 7   4  6  o 109.2940 1.700984  6121.700   190.5000 6121.700  190.5000 ?          ?        109.2940 1.700984  ?        ?         0.000000       1.700984  
1 1 1 7   4  7  o 309.2528 2.438908  49027.77   772.8718 49734.00  1512.300 48289.60   1580.700 311.2268 4.742012  306.6329 5.030744  4.593872       6.913397  
1 1 1 7   4  8  o 158.6691 0.9218391 12900.10   149.8807 12872.30  283.9000 12931.20   317.5000 158.4789 1.748218  158.8345 1.950745  -0.3556671     2.619480  
1 1 1 7   4  9  o 136.8147 0.8099570 9591.135   113.5515 9577.200  215.2000 9606.700   240.4000 136.7005 1.536292  136.9058 1.713619  -0.2053528     2.301452  
1 1 1 7   4  10 o 102.0610 0.7441723 5337.317   77.82722 5258.300  169.5000 5404.400   143.9000 101.2869 1.633120  102.6904 1.367517  -1.403488      2.130066  
1 1 1 7   4  11 o 141.5355 0.9574470 10265.20   138.8604 9487.000  301.8000 10928.40   257.2000 136.0207 2.165288  146.0104 1.719052  -9.989639      2.764709  
1 1 1 7   4  12 o 173.4633 1.163273  15420.65   206.7701 14948.90  473.1000 15786.90   367.3000 170.6864 2.704928  175.4611 2.042875  -4.774704      3.389686  
1 1 1 7   4  13 o 50.59967 0.4347459 1311.846   22.54144 1248.200  48.00000 1368.200   42.50000 49.35286 0.9491407 51.67232 0.8026618 -2.319466      1.243034  
1 1 1 7   4  14 o 223.3905 1.286359  25578.66   294.4593 24407.70  567.0000 26843.80   612.6000 218.0866 2.537206  228.6999 2.614043  -10.61334      3.642888  
1 1 1 7   4  15 o 67.45047 0.4797851 2331.120   33.16119 2191.600  62.30000 2489.900   70.90000 65.39538 0.9296995 69.70283 0.9926531 -4.307449      1.360037  
1 1 1 7   4  16 o 167.3831 0.9808570 14358.48   168.2348 14152.80  333.3000 14568.10   339.7000 166.1136 1.958087  168.5323 1.967044  -2.418777      2.775493  
1 1 1 7   4  17 o 164.6775 0.9816595 13898.21   165.6508 14396.40  342.4000 13431.30   320.9000 167.5293 1.994548  161.8221 1.935235  5.707291       2.779093  
1 1 1 7   4  18 o 34.44148 0.3563085 607.7835   12.57495 624.6000  25.10000 590.9000   25.20000 34.91274 0.7016029 33.95767 0.7242097 0.9550743      1.008329  
1 1 1 7   4  19 o 104.6882 0.6833940 5616.047   73.31068 5488.900  144.6000 5746.800   148.7000 103.4725 1.363782  105.8751 1.370625  -2.402634      1.933524  
1 1 1 7   4  20 o 107.3480 0.6692497 5905.111   73.61738 5668.400  144.2000 6152.000   150.4000 105.1483 1.338335  109.5418 1.339892  -4.393494      1.893792  
1 1 1 7   4  21 o 42.59585 0.3668097 929.6693   16.01056 1057.700  34.60000 819.4000   29.80000 45.43021 0.7432467 39.98652 0.7272843 5.443684       1.039884  
1 1 1 7   4  22 o 40.06524 0.3799429 822.4985   15.59856 858.4000  30.90000 785.9000   31.50000 40.92625 0.7368145 39.15911 0.7850175 1.767139       1.076638  
1 1 1 7   4  23 o 20.67890 0.3994579 219.1115   8.464412 172.3000  15.90000 272.4000   18.10000 18.31462 0.8495434 23.04101 0.7676893 -4.726391      1.145020  
1 1 1 7   4  24 o 22.02385 0.3629704 248.5404   8.191489 252.8000  15.40000 243.7000   17.50000 22.19875 0.6778020 21.79032 0.7850303 0.4084339      1.037154  
1 1 1 7   4  25 o 35.98531 0.4204313 663.5770   15.50311 605.4000  26.00000 749.5000   38.40000 34.36571 0.7383285 38.21744 0.9813654 -3.851730      1.228091  
1 1 1 7   4  26 o 31.06642 0.4043453 494.5769   12.87188 488.4000  21.40000 503.9000   32.30000 30.86650 0.6765938 31.32613 1.007541  -0.4596272     1.213638  
1 1 1 7   4  27 o 92.06925 0.7272161 4346.269   68.60826 4492.600  116.4000 4136.200   167.1000 93.54493 1.214323  89.64385 1.819104  3.901077       2.187172  
1 1 1 7   5  0  o 90.79446 1.691792  4224.600   157.4000 4224.600  157.4000 ?          ?        90.79446 1.691792  ?        ?         0.000000       1.691792  
1 1 1 7   5  1  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 7   5  2  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 7   5  3  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 7   5  4  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 7   5  5  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 7   5  6  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 7   5  7  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 7   5  8  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 7   5  9  o 299.3490 4.554937  46065.60   1397.200 46065.60  1397.200 ?          ?        299.3490 4.554937  ?        ?         0.000000       4.554937  
1 1 1 7   5  10 o 104.9786 0.9691617 5647.374   104.2547 5836.800  185.4000 5404.000   238.2000 106.7054 1.695606  102.6515 2.264530  4.053909       2.828988  
1 1 1 7   5  11 o 29.53867 0.2971568 447.0526   8.994460 417.9000  19.10000 473.0000   17.00000 28.55828 0.6526840 30.38312 0.5460320 -1.824846      0.8509685 
1 1 1 7   5  12 o 64.03593 0.4943396 2101.075   32.43750 2504.700  86.50000 1858.900   51.90000 69.90637 1.207538  60.22913 0.8409350 9.677246       1.471503  
1 1 1 7   5  13 o 172.2884 1.145342  15213.41   202.2038 15005.10  471.2000 15370.00   354.2000 170.9748 2.689520  173.1133 1.996732  -2.138504      3.349694  
1 1 1 7   5  14 o 54.15249 0.4350802 1502.545   24.14272 1667.500  60.90000 1394.200   40.00000 57.04074 1.041919  52.16095 0.7483695 4.879787       1.282829  
1 1 1 7   5  15 o 62.25642 0.4775709 1985.934   30.46634 1925.500  68.30000 2034.600   55.00000 61.29353 1.087446  63.01015 0.8518316 -1.716625      1.381360  
1 1 1 7   5  16 f 101.2726 0.6359950 5255.382   66.00000 4857.900  126.5000 5689.000   138.0000 97.35011 1.268106  105.3485 1.278357  -7.998413      1.800636  
1 1 1 7   5  17 o 104.2834 0.6388849 5572.547   68.27097 5539.900  135.5000 5605.700   137.6000 103.9579 1.271990  104.5729 1.284106  -0.6150589     1.807453  
1 1 1 7   5  18 o 95.66174 0.6056460 4689.191   59.36842 4747.600  120.0000 4632.000   117.5000 96.23780 1.216850  95.05933 1.206271  1.178467       1.713422  
1 1 1 7   5  19 o 104.9403 0.6535082 5643.146   70.27350 5556.300  139.9000 5730.800   141.2000 104.1047 1.311442  105.7272 1.303315  -1.622536      1.848921  
1 1 1 7   5  20 o 26.19979 0.3262363 351.7093   8.758473 311.6000  15.90000 400.9000   19.50000 24.65107 0.6299686 27.96988 0.6803707 -3.318810      0.9272349 
1 1 1 7   5  21 o 75.54253 0.5169569 2924.207   40.01698 2993.800  82.40000 2858.500   77.80000 76.42046 1.052251  74.67499 1.016731  1.745476       1.463207  
1 1 1 7   5  22 o 101.1578 0.6476968 5244.144   67.13818 5659.300  141.2000 4867.800   128.0000 105.0454 1.311775  97.42533 1.282153  7.620087       1.834303  
1 1 1 7   5  23 o 76.67231 0.6139385 3012.740   48.23494 3054.900  80.70000 2950.100   119.9000 77.18875 1.020284  75.81718 1.543310  1.371567       1.850077  
1 1 1 7   5  24 o 30.84540 0.4245182 487.5497   13.41792 589.5000  23.60000 353.2000   31.10000 33.91316 0.6791182 26.21450 1.160642  7.698660       1.344728  
1 1 1 7   5  25 o 38.91589 0.4074269 776.0723   16.24707 752.7000  26.70000 812.4000   41.50000 38.31911 0.6799821 39.78406 1.018821  -1.464951      1.224897  
1 1 1 7   5  26 o 74.03881 0.5742642 2809.822   43.56820 2978.100  75.40000 2579.500   103.2000 76.19294 0.9657356 70.85944 1.421293  5.333504       1.718348  
1 1 1 7   6  0  o 112.0602 1.957702  0.000000   0.000000 ?         ?        6436.200   224.8000 ?        ?         112.0602 1.957702  0.000000       1.957702  
1 1 1 7   6  1  o 43.80782 1.237595  0.000000   0.000000 ?         ?        984.2000   55.50000 ?        ?         43.80782 1.237595  0.000000       1.237595  
1 1 1 7   6  2  o 173.4706 2.022435  0.000000   0.000000 ?         ?        15424.30   359.5000 ?        ?         173.4706 2.022435  0.000000       2.022435  
1 1 1 7   6  3  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 7   6  4  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 7   6  5  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 7   6  6  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 7   6  7  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 7   6  8  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 7   6  9  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 7   6  10 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 7   6  11 o 165.7072 2.551225  14092.30   433.2000 14092.30  433.2000 ?          ?        165.7072 2.551225  ?        ?         0.000000       2.551225  
1 1 1 7   6  12 o 160.2491 1.241016  13162.53   203.7846 13376.70  415.0000 12955.90   400.4000 161.4447 2.508569  158.8902 2.459226  2.554413       3.512935  
1 1 1 7   6  13 o 203.9353 1.323976  21319.07   276.6756 21774.10  665.4000 20995.20   473.6000 205.8620 3.154339  202.2813 2.284850  3.580719       3.894919  
1 1 1 7   6  14 o 191.7410 1.258253  18845.15   247.2187 18346.20  566.9000 19231.00   438.4000 188.9924 2.927276  193.6004 2.209866  -4.608017      3.667758  
1 1 1 7   6  15 o 79.73129 0.5697559 3257.385   46.54960 2978.400  97.00000 3514.800   89.50000 76.22629 1.241848  82.81178 1.054709  -6.585495      1.629294  
1 1 1 7   6  16 o 90.75307 0.6481607 4220.365   60.27572 4240.100  138.2000 4205.100   106.9000 90.93891 1.483064  90.57557 1.151777  0.3633423      1.877783  
1 1 1 7   6  17 o 77.89005 0.5982639 3108.752   47.74998 2869.400  105.4000 3307.000   87.30000 74.81173 1.374905  80.32461 1.060638  -5.512878      1.736466  
1 1 1 7   6  18 o 57.12865 0.4674734 1672.294   27.36587 1846.100  66.10000 1549.500   46.70000 60.01328 1.074869  54.98630 0.8288273 5.026985       1.357313  
1 1 1 7   6  19 o 105.9991 0.6645440 5757.813   72.18120 5477.400  138.2000 6064.400   151.1000 103.3567 1.304881  108.7508 1.355919  -5.394035      1.881816  
1 1 1 7   6  20 o 95.17247 0.7249534 4642.000   70.70007 4634.600  116.6000 4653.400   179.6000 95.07503 1.196833  95.22115 1.840664  -0.1461182     2.195553  
1 1 1 7   6  21 o 64.71805 0.5397114 2146.323   35.79195 2163.100  59.60000 2121.100   89.60000 64.96057 0.8953606 64.30667 1.359733  0.6539001      1.628049  
1 1 1 7   6  22 o 61.23872 0.5164819 1921.779   32.41004 1955.600  55.40000 1874.100   78.10000 61.76419 0.8753358 60.44568 1.260920  1.318512       1.534969  
1 1 1 7   6  23 o 20.29467 0.4589565 211.0638   9.544473 277.4000  16.80000 123.8000   22.10000 23.25270 0.7058961 15.46707 1.409877  7.785627       1.576719  
1 1 1 7   6  24 o 86.15734 0.6665257 3805.100   58.84472 3924.100  99.70000 3633.700   143.6000 87.45590 1.112520  84.08625 1.666599  3.369652       2.003809  
1 1 1 7   6  25 o 17.23682 0.4268452 152.2608   7.539210 171.5000  11.70000 117.4000   21.20000 18.28020 0.6255283 15.05443 1.389960  3.225762       1.524229  
1 1 1 7   6  26 o 60.81487 1.445828  1900.900   90.10000 1900.900  90.10000 ?          ?        60.81487 1.445828  ?        ?         0.000000       1.445828  
1 1 1 7   7  0  o 228.2985 3.621894  0.000000   0.000000 ?         ?        26751.90   847.3000 ?        ?         228.2985 3.621894  0.000000       3.621894  
1 1 1 7   7  1  o 196.1900 2.273715  0.000000   0.000000 ?         ?        19735.30   457.1000 ?        ?         196.1900 2.273715  0.000000       2.273715  
1 1 1 7   7  2  o 249.0355 2.884153  0.000000   0.000000 ?         ?        31815.40   736.0000 ?        ?         249.0355 2.884153  0.000000       2.884153  
1 1 1 7   7  3  o 44.02569 0.8933066 0.000000   0.000000 ?         ?        993.2000   40.30000 ?        ?         44.02569 0.8933066 0.000000       0.8933066 
1 1 1 7   7  4  o 128.0396 1.592955  0.000000   0.000000 ?         ?        8403.300   209.0000 ?        ?         128.0396 1.592955  0.000000       1.592955  
1 1 1 7   7  5  o 138.3906 1.704401  0.000000   0.000000 ?         ?        9818.000   241.7000 ?        ?         138.3906 1.704401  0.000000       1.704401  
1 1 1 7   7  6  o 129.3481 1.607020  0.000000   0.000000 ?         ?        8576.800   213.0000 ?        ?         129.3481 1.607020  0.000000       1.607020  
1 1 1 7   7  7  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 7   7  8  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 7   7  9  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 7   7  10 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 7   7  11 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 7   7  12 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 7   7  13 o 157.4706 2.410128  12727.70   388.9000 12727.70  388.9000 ?          ?        157.4706 2.410128  ?        ?         0.000000       2.410128  
1 1 1 7   7  14 o 37.38998 0.3490740 716.3016   13.37430 656.0000  25.20000 784.5000   28.50000 35.77952 0.6873336 39.12702 0.7108364 -3.347500      0.9887952 
1 1 1 7   7  15 o 69.61833 0.5670984 2483.496   40.45576 2574.300  84.40000 2399.900   77.70000 70.86716 1.162248  68.42600 1.108157  2.441162       1.605875  
1 1 1 7   7  16 o 174.7060 1.146543  15645.65   205.2563 15399.00  474.9000 15833.40   361.5000 173.1378 2.676776  175.6636 2.008298  -2.525803      3.346399  
1 1 1 7   7  17 o ?        ?         -60.37796  7.619492 -59.50000 11.10000 -62.30000  24.30000 ?        ?         3.469626 1.727380  0.000000       1.727380  
1 1 1 7   7  18 o 26.05611 0.4153140 347.8748   11.08880 325.0000  16.60000 393.9000   33.40000 25.17520 0.6440113 27.69320 1.179699  -2.517996      1.344039  
1 1 1 7   7  19 o 97.73137 0.8234418 4895.463   82.46416 4874.100  157.0000 4919.100   173.7000 97.47118 1.571901  97.90632 1.731373  -0.4351425     2.338488  
1 1 1 7   7  20 o 107.5616 0.9077098 5930.746   100.0466 5804.300  187.5000 6075.400   214.5000 106.3368 1.720756  108.7662 1.924575  -2.429436      2.581664  
1 1 1 7   7  21 o 79.45327 0.7424415 3235.729   60.44667 3307.000  109.0000 3147.000   135.7000 80.28716 1.324897  78.28829 1.691549  1.998863       2.148649  
1 1 1 7   7  22 o 75.46605 0.5859551 2918.845   45.31212 2782.300  73.10000 3141.500   119.2000 73.65928 0.9684819 78.22327 1.487106  -4.563988      1.774667  
1 1 1 7   7  23 o 22.94188 0.3943201 269.7142   9.269927 258.5000  14.20000 290.8000   26.70000 22.44848 0.6178972 23.78223 1.098589  -1.333746      1.260434  
1 1 1 7   7  24 o 42.35234 0.6797453 919.6000   29.50000 919.6000  29.50000 ?          ?        42.35234 0.6797453 ?        ?         0.000000       0.6797453 
1 1 1 7   7  25 o 67.36528 1.442862  2332.600   99.60000 2332.600  99.60000 ?          ?        67.36528 1.442862  ?        ?         0.000000       1.442862  
1 1 1 7   8  0  o 54.70156 0.8188694 0.000000   0.000000 ?         ?        1533.300   45.90000 ?        ?         54.70156 0.8188694 0.000000       0.8188694 
1 1 1 7   8  1  f 117.5468 1.456198  0.000000   0.000000 ?         ?        7082.500   175.4000 ?        ?         117.5468 1.456198  0.000000       1.456198  
1 1 1 7   8  2  o 45.04403 0.8167812 0.000000   0.000000 ?         ?        1039.700   37.70000 ?        ?         45.04403 0.8167812 0.000000       0.8167812 
1 1 1 7   8  3  o 56.61624 0.8877033 0.000000   0.000000 ?         ?        1642.600   51.50000 ?        ?         56.61624 0.8877033 0.000000       0.8877033 
1 1 1 7   8  4  o 95.15210 1.277913  0.000000   0.000000 ?         ?        4640.700   124.6000 ?        ?         95.15210 1.277913  0.000000       1.277913  
1 1 1 7   8  5  o 110.7558 1.332254  0.000000   0.000000 ?         ?        6287.900   151.2000 ?        ?         110.7558 1.332254  0.000000       1.332254  
1 1 1 7   8  6  o 71.18021 0.9953572 0.000000   0.000000 ?         ?        2596.600   72.60000 ?        ?         71.18021 0.9953572 0.000000       0.9953572 
1 1 1 7   8  7  o 80.70890 1.119673  0.000000   0.000000 ?         ?        3338.600   92.60000 ?        ?         80.70890 1.119673  0.000000       1.119673  
1 1 1 7   8  8  f 114.2478 1.470058  0.000000   0.000000 ?         ?        6691.700   172.1000 ?        ?         114.2478 1.470058  0.000000       1.470058  
1 1 1 7   8  9  f 30.65646 0.7512624 0.000000   0.000000 ?         ?        481.6000   23.60000 ?        ?         30.65646 0.7512624 0.000000       0.7512624 
1 1 1 7   8  10 o 16.34125 1.522449  0.000000   0.000000 ?         ?        138.1000   25.20000 ?        ?         16.34125 1.522449  0.000000       1.522449  
1 1 1 7   8  11 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 7   8  12 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 7   8  13 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 7   8  14 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 7   8  15 o 71.70277 1.120123  2635.500   82.30000 2635.500  82.30000 ?          ?        71.70277 1.120123  ?        ?         0.000000       1.120123  
1 1 1 7   8  16 o 91.94808 1.454051  4335.900   137.0000 4335.900  137.0000 ?          ?        91.94808 1.454051  ?        ?         0.000000       1.454051  
1 1 1 7   8  17 o 83.54573 1.344475  3579.500   115.1000 3579.500  115.1000 ?          ?        83.54573 1.344475  ?        ?         0.000000       1.344475  
1 1 1 7   8  18 o 90.57627 0.7732169 4204.878   71.76524 4228.800  134.7000 4177.600   153.6000 90.79266 1.447833  90.22336 1.661399  0.5692978      2.203739  
1 1 1 7   8  19 o 92.55202 0.8033813 4390.723   76.19141 4611.900  147.5000 4154.400   157.6000 94.79958 1.518404  89.95537 1.709743  4.844208       2.286650  
1 1 1 7   8  20 o 52.30537 0.5406374 1402.061   28.97683 1327.800  49.80000 1505.400   69.30000 50.88819 0.9550233 54.17010 1.248462  -3.281910      1.571854  
1 1 1 7   8  21 o 93.71146 0.8144115 4502.481   78.20508 4349.700  140.3000 4694.900   176.7000 92.03408 1.487684  95.56493 1.804428  -3.530846      2.338624  
1 1 1 7   8  22 o 37.87337 0.7292124 735.4000   28.30000 735.4000  28.30000 ?          ?        37.87337 0.7292124 ?        ?         0.000000       0.7292124 
1 1 1 7   8  23 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 7   8  24 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 7   9  0  o 95.17307 1.221235  0.000000   0.000000 ?         ?        4642.800   119.1000 ?        ?         95.17307 1.221235  0.000000       1.221235  
1 1 1 7   9  1  o 109.3791 1.358837  0.000000   0.000000 ?         ?        6132.900   152.3000 ?        ?         109.3791 1.358837  0.000000       1.358837  
1 1 1 7   9  2  o 82.36905 1.078149  0.000000   0.000000 ?         ?        3477.300   91.00000 ?        ?         82.36905 1.078149  0.000000       1.078149  
1 1 1 7   9  3  o 109.9887 1.369938  0.000000   0.000000 ?         ?        6201.600   154.4000 ?        ?         109.9887 1.369938  0.000000       1.369938  
1 1 1 7   9  4  o 161.2645 1.935269  0.000000   0.000000 ?         ?        13339.30   319.8000 ?        ?         161.2645 1.935269  0.000000       1.935269  
1 1 1 7   9  5  o 123.6088 1.537946  0.000000   0.000000 ?         ?        7834.000   194.8000 ?        ?         123.6088 1.537946  0.000000       1.537946  
1 1 1 7   9  6  o 74.08237 1.067018  0.000000   0.000000 ?         ?        2812.900   81.00000 ?        ?         74.08237 1.067018  0.000000       1.067018  
1 1 1 7   9  7  o 42.22820 0.7464515 0.000000   0.000000 ?         ?        913.8000   32.30000 ?        ?         42.22820 0.7464515 0.000000       0.7464515 
1 1 1 7   9  8  o 64.26360 0.9126642 0.000000   0.000000 ?         ?        2116.500   60.10000 ?        ?         64.26360 0.9126642 0.000000       0.9126642 
1 1 1 7   9  9  o 56.91693 0.8590093 0.000000   0.000000 ?         ?        1660.200   50.10000 ?        ?         56.91693 0.8590093 0.000000       0.8590093 
1 1 1 7   9  10 o 75.08300 1.056697  0.000000   0.000000 ?         ?        2889.500   81.30000 ?        ?         75.08300 1.056697  0.000000       1.056697  
1 1 1 7   9  11 o 50.24345 0.8138347 0.000000   0.000000 ?         ?        1293.700   41.90000 ?        ?         50.24345 0.8138347 0.000000       0.8138347 
1 1 1 7   9  12 o 165.0665 1.984696  0.000000   0.000000 ?         ?        13981.60   335.7000 ?        ?         165.0665 1.984696  0.000000       1.984696  
1 1 1 7   9  13 o 68.26620 0.9863816 0.000000   0.000000 ?         ?        2388.700   69.00000 ?        ?         68.26620 0.9863816 0.000000       0.9863816 
1 1 1 7   9  14 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 7   9  15 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 7   9  16 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 7   9  17 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 7   9  18 o 51.34704 0.8400565 1351.600   44.20000 1351.600  44.20000 ?          ?        51.34704 0.8400565 ?        ?         0.000000       0.8400565 
1 1 1 7   9  19 o 124.0521 1.942311  7913.700   246.9000 7913.700  246.9000 ?          ?        124.0521 1.942311  ?        ?         0.000000       1.942311  
1 1 1 7   9  20 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 7   9  21 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 7   9  22 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 7   10 0  o 76.55048 0.6590893 0.000000   0.000000 ?         ?        3002.800   51.70000 ?        ?         76.55048 0.6590893 0.000000       0.6590893 
1 1 1 7   10 1  o 62.20247 0.9021150 0.000000   0.000000 ?         ?        1982.900   57.50000 ?        ?         62.20247 0.9021150 0.000000       0.9021150 
1 1 1 7   10 2  o 134.3538 1.634309  0.000000   0.000000 ?         ?        9256.700   225.0000 ?        ?         134.3538 1.634309  0.000000       1.634309  
1 1 1 7   10 3  o 87.74878 1.208899  0.000000   0.000000 ?         ?        3947.000   108.7000 ?        ?         87.74878 1.208899  0.000000       1.208899  
1 1 1 7   10 4  o 112.7691 1.411451  0.000000   0.000000 ?         ?        6520.000   163.1000 ?        ?         112.7691 1.411451  0.000000       1.411451  
1 1 1 7   10 5  o 110.0879 1.437848  0.000000   0.000000 ?         ?        6213.900   162.2000 ?        ?         110.0879 1.437848  0.000000       1.437848  
1 1 1 7   10 6  o 34.51252 0.7691196 0.000000   0.000000 ?         ?        610.4000   27.20000 ?        ?         34.51252 0.7691196 0.000000       0.7691196 
1 1 1 7   10 7  o 137.2026 1.673637  0.000000   0.000000 ?         ?        9654.900   235.3000 ?        ?         137.2026 1.673637  0.000000       1.673637  
1 1 1 7   10 8  o 146.9879 1.782642  0.000000   0.000000 ?         ?        11083.20   268.5000 ?        ?         146.9879 1.782642  0.000000       1.782642  
1 1 1 7   10 9  o 121.7478 1.583899  0.000000   0.000000 ?         ?        7602.100   197.6000 ?        ?         121.7478 1.583899  0.000000       1.583899  
1 1 1 7   10 10 o 33.99571 0.8123889 0.000000   0.000000 ?         ?        592.3000   28.30000 ?        ?         33.99571 0.8123889 0.000000       0.8123889 
1 1 1 7   10 11 o 60.54526 0.9171361 0.000000   0.000000 ?         ?        1878.900   56.90000 ?        ?         60.54526 0.9171361 0.000000       0.9171361 
1 1 1 7   10 12 f 120.5921 1.519771  0.000000   0.000000 ?         ?        7459.900   187.8000 ?        ?         120.5921 1.519771  0.000000       1.519771  
1 1 1 7   10 13 o 53.76943 0.8512146 0.000000   0.000000 ?         ?        1481.900   46.90000 ?        ?         53.76943 0.8512146 0.000000       0.8512146 
1 1 1 7   10 14 o 76.35426 1.039104  0.000000   0.000000 ?         ?        2989.100   81.30000 ?        ?         76.35426 1.039104  0.000000       1.039104  
1 1 1 7   10 15 o 95.04134 1.282483  0.000000   0.000000 ?         ?        4633.600   124.9000 ?        ?         95.04134 1.282483  0.000000       1.282483  
1 1 1 7   10 16 o 31.14699 0.8341773 0.000000   0.000000 ?         ?        497.7000   26.60000 ?        ?         31.14699 0.8341773 0.000000       0.8341773 
1 1 1 7   10 17 o 31.07836 0.8549194 0.000000   0.000000 ?         ?        495.6000   27.20000 ?        ?         31.07836 0.8549194 0.000000       0.8549194 
1 1 1 7   10 18 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 7   10 19 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 7   10 20 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 7   11 0  o 48.43383 0.4775305 0.000000   0.000000 ?         ?        1202.000   23.70000 ?        ?         48.43383 0.4775305 0.000000       0.4775305 
1 1 1 7   11 1  o 38.36744 0.7961285 0.000000   0.000000 ?         ?        754.4000   31.30000 ?        ?         38.36744 0.7961285 0.000000       0.7961285 
1 1 1 7   11 2  o 98.64074 1.253493  0.000000   0.000000 ?         ?        4988.300   126.7000 ?        ?         98.64074 1.253493  0.000000       1.253493  
1 1 1 7   11 3  o 103.1598 1.272370  0.000000   0.000000 ?         ?        5456.000   134.5000 ?        ?         103.1598 1.272370  0.000000       1.272370  
1 1 1 7   11 4  o 54.10581 0.8224746 0.000000   0.000000 ?         ?        1500.300   45.60000 ?        ?         54.10581 0.8224746 0.000000       0.8224746 
1 1 1 7   11 5  o 129.0954 1.532303  0.000000   0.000000 ?         ?        8547.400   202.7000 ?        ?         129.0954 1.532303  0.000000       1.532303  
1 1 1 7   11 6  o 46.07653 0.8429559 0.000000   0.000000 ?         ?        1088.100   39.80000 ?        ?         46.07653 0.8429559 0.000000       0.8429559 
1 1 1 7   11 7  o 121.2738 1.508814  0.000000   0.000000 ?         ?        7543.700   187.5000 ?        ?         121.2738 1.508814  0.000000       1.508814  
1 1 1 7   11 8  o 28.78352 0.8417365 0.000000   0.000000 ?         ?        425.0000   24.80000 ?        ?         28.78352 0.8417365 0.000000       0.8417365 
1 1 1 7   11 9  o 58.17411 0.8991593 0.000000   0.000000 ?         ?        1734.700   53.60000 ?        ?         58.17411 0.8991593 0.000000       0.8991593 
1 1 1 7   11 10 o 32.22945 0.7933230 0.000000   0.000000 ?         ?        532.4000   26.20000 ?        ?         32.22945 0.7933230 0.000000       0.7933230 
1 1 1 7   11 11 o 106.8965 1.347487  0.000000   0.000000 ?         ?        5861.700   147.6000 ?        ?         106.8965 1.347487  0.000000       1.347487  
1 1 1 7   11 12 o 85.51710 1.150295  0.000000   0.000000 ?         ?        3750.600   100.8000 ?        ?         85.51710 1.150295  0.000000       1.150295  
1 1 1 7   11 13 o 74.36232 1.011820  0.000000   0.000000 ?         ?        2835.600   77.10000 ?        ?         74.36232 1.011820  0.000000       1.011820  
1 1 1 7   11 14 o 6.834931 1.947575  0.000000   0.000000 ?         ?        24.60000   14.30000 ?        ?         6.834931 1.947575  0.000000       1.947575  
1 1 1 7   11 15 o 35.80936 0.7412658 0.000000   0.000000 ?         ?        657.4000   27.20000 ?        ?         35.80936 0.7412658 0.000000       0.7412658 
1 1 1 7   11 16 o 7.921347 2.555277  0.000000   0.000000 ?         ?        31.50000   23.60000 ?        ?         7.921347 2.555277  0.000000       2.555277  
1 1 1 7   11 17 f 24.65048 1.095397  0.000000   0.000000 ?         ?        312.5000   27.60000 ?        ?         24.65048 1.095397  0.000000       1.095397  
1 1 1 7   11 18 o 54.80692 1.379280  0.000000   0.000000 ?         ?        1544.900   77.40000 ?        ?         54.80692 1.379280  0.000000       1.379280  
1 1 1 7   12 0  o 82.16660 1.142566  0.000000   0.000000 ?         ?        3461.400   96.20000 ?        ?         82.16660 1.142566  0.000000       1.142566  
1 1 1 7   12 1  o 67.04592 1.031990  0.000000   0.000000 ?         ?        2304.400   70.90000 ?        ?         67.04592 1.031990  0.000000       1.031990  
1 1 1 7   12 2  o 109.0765 1.315188  0.000000   0.000000 ?         ?        6101.600   147.0000 ?        ?         109.0765 1.315188  0.000000       1.315188  
1 1 1 7   12 3  o 46.17540 0.7819747 0.000000   0.000000 ?         ?        1092.800   37.00000 ?        ?         46.17540 0.7819747 0.000000       0.7819747 
1 1 1 7   12 4  o 17.83968 0.9442620 0.000000   0.000000 ?         ?        163.6000   17.20000 ?        ?         17.83968 0.9442620 0.000000       0.9442620 
1 1 1 7   12 5  o 4.675887 2.002291  0.000000   0.000000 ?         ?        -1.000000  17.10000 ?        ?         4.675887 2.002291  0.000000       2.002291  
1 1 1 7   12 6  f 112.0577 1.458729  0.000000   0.000000 ?         ?        6442.500   167.5000 ?        ?         112.0577 1.458729  0.000000       1.458729  
1 1 1 7   12 7  o 53.15220 0.8427390 0.000000   0.000000 ?         ?        1448.200   45.90000 ?        ?         53.15220 0.8427390 0.000000       0.8427390 
1 1 1 7   12 8  o 86.91225 1.155410  0.000000   0.000000 ?         ?        3874.100   102.9000 ?        ?         86.91225 1.155410  0.000000       1.155410  
1 1 1 7   12 9  o 125.5204 1.501308  0.000000   0.000000 ?         ?        8087.300   193.1000 ?        ?         125.5204 1.501308  0.000000       1.501308  
1 1 1 7   12 10 o 39.29710 0.7400437 0.000000   0.000000 ?         ?        791.6000   29.80000 ?        ?         39.29710 0.7400437 0.000000       0.7400437 
1 1 1 7   12 11 f 52.69272 0.8482355 0.000000   0.000000 ?         ?        1423.600   45.80000 ?        ?         52.69272 0.8482355 0.000000       0.8482355 
1 1 1 7   12 12 o 72.38036 1.028740  0.000000   0.000000 ?         ?        2687.500   76.30000 ?        ?         72.38036 1.028740  0.000000       1.028740  
1 1 1 7   12 13 o 25.76334 0.8686733 0.000000   0.000000 ?         ?        340.8000   22.90000 ?        ?         25.76334 0.8686733 0.000000       0.8686733 
1 1 1 7   12 14 o 9.199199 2.323098  0.000000   0.000000 ?         ?        45.40000   21.90000 ?        ?         9.199199 2.323098  0.000000       2.323098  
1 1 1 7   12 15 o 29.15552 1.015751  0.000000   0.000000 ?         ?        436.8000   30.30000 ?        ?         29.15552 1.015751  0.000000       1.015751  
1 1 1 7   12 16 o 44.77481 1.091957  0.000000   0.000000 ?         ?        1029.400   50.10000 ?        ?         44.77481 1.091957  0.000000       1.091957  
1 1 1 7   13 0  o 83.83804 1.066242  0.000000   0.000000 ?         ?        3604.400   91.60000 ?        ?         83.83804 1.066242  0.000000       1.066242  
1 1 1 7   13 1  o 100.6768 1.255284  0.000000   0.000000 ?         ?        5199.600   129.5000 ?        ?         100.6768 1.255284  0.000000       1.255284  
1 1 1 7   13 2  o 159.5801 1.828496  0.000000   0.000000 ?         ?        13083.30   299.0000 ?        ?         159.5801 1.828496  0.000000       1.828496  
1 1 1 7   13 3  o 53.45443 0.8562307 0.000000   0.000000 ?         ?        1464.900   46.90000 ?        ?         53.45443 0.8562307 0.000000       0.8562307 
1 1 1 7   13 4  o 84.07008 1.080712  0.000000   0.000000 ?         ?        3625.000   93.10000 ?        ?         84.07008 1.080712  0.000000       1.080712  
1 1 1 7   13 5  o 57.62307 0.8501762 0.000000   0.000000 ?         ?        1702.400   50.20000 ?        ?         57.62307 0.8501762 0.000000       0.8501762 
1 1 1 7   13 6  o 16.10959 1.202058  0.000000   0.000000 ?         ?        133.9000   19.70000 ?        ?         16.10959 1.202058  0.000000       1.202058  
1 1 1 7   13 7  f 74.12132 1.000627  0.000000   0.000000 ?         ?        2818.000   76.00000 ?        ?         74.12132 1.000627  0.000000       1.000627  
1 1 1 7   13 8  o 104.6246 1.318916  0.000000   0.000000 ?         ?        5620.500   141.4000 ?        ?         104.6246 1.318916  0.000000       1.318916  
1 1 1 7   13 9  o 56.02291 0.8396204 0.000000   0.000000 ?         ?        1609.600   48.20000 ?        ?         56.02291 0.8396204 0.000000       0.8396204 
1 1 1 7   13 10 o 58.24660 1.280042  0.000000   0.000000 ?         ?        1742.500   76.40000 ?        ?         58.24660 1.280042  0.000000       1.280042  
1 1 1 7   13 11 o 29.31585 1.053642  0.000000   0.000000 ?         ?        441.7000   31.60000 ?        ?         29.31585 1.053642  0.000000       1.053642  
1 1 1 7   13 12 o 90.11821 1.604860  0.000000   0.000000 ?         ?        4180.200   148.2000 ?        ?         90.11821 1.604860  0.000000       1.604860  
1 1 1 7   13 13 o 41.68383 1.073151  0.000000   0.000000 ?         ?        892.8000   45.80000 ?        ?         41.68383 1.073151  0.000000       1.073151  
1 1 1 7   14 0  f 48.30128 0.7899866 0.000000   0.000000 ?         ?        1196.300   39.10000 ?        ?         48.30128 0.7899866 0.000000       0.7899866 
1 1 1 7   14 1  o 29.38597 0.8310708 0.000000   0.000000 ?         ?        443.2000   25.00000 ?        ?         29.38597 0.8310708 0.000000       0.8310708 
1 1 1 7   14 2  o 11.33325 1.687449  0.000000   0.000000 ?         ?        67.50000   19.00000 ?        ?         11.33325 1.687449  0.000000       1.687449  
1 1 1 7   14 3  o 12.31838 1.530191  0.000000   0.000000 ?         ?        79.20000   18.90000 ?        ?         12.31838 1.530191  0.000000       1.530191  
1 1 1 7   14 4  o 42.31849 0.7771438 0.000000   0.000000 ?         ?        918.4000   33.70000 ?        ?         42.31849 0.7771438 0.000000       0.7771438 
1 1 1 7   14 5  o 54.93629 0.8491222 0.000000   0.000000 ?         ?        1548.100   47.80000 ?        ?         54.93629 0.8491222 0.000000       0.8491222 
1 1 1 7   14 6  o 20.60321 1.347859  0.000000   0.000000 ?         ?        219.1000   28.30000 ?        ?         20.60321 1.347859  0.000000       1.347859  
1 1 1 7   14 7  o 15.29165 1.526495  0.000000   0.000000 ?         ?        121.5000   23.60000 ?        ?         15.29165 1.526495  0.000000       1.526495  
1 1 1 7   14 8  o 23.69525 1.115127  0.000000   0.000000 ?         ?        289.0000   27.00000 ?        ?         23.69525 1.115127  0.000000       1.115127  
1 1 1 7   14 9  o 30.51451 1.079468  0.000000   0.000000 ?         ?        478.8000   33.70000 ?        ?         30.51451 1.079468  0.000000       1.079468  
1 1 1 7   15 0  o 37.80756 1.043807  0.000000   0.000000 ?         ?        734.6000   40.40000 ?        ?         37.80756 1.043807  0.000000       1.043807  
1 1 1 7   15 1  o 28.68516 1.070129  0.000000   0.000000 ?         ?        423.2000   31.40000 ?        ?         28.68516 1.070129  0.000000       1.070129  
1 1 1 7   15 2  o 35.13743 1.012012  0.000000   0.000000 ?         ?        634.5000   36.40000 ?        ?         35.13743 1.012012  0.000000       1.012012  
1 1 1 7   15 3  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 8   0  0  o 19.33997 0.7035068 192.4000   13.90000 192.4000  13.90000 192.4000   13.90000 19.33997 0.7035068 19.33997 0.7035068 0.000000       0.000000  
1 1 1 8   0  1  o 38.75319 0.6904874 770.2000   27.40000 770.2000  27.40000 770.2000   27.40000 38.75319 0.6904874 38.75319 0.6904874 0.000000       0.000000  
1 1 1 8   0  2  o 140.8657 2.449961  10178.00   353.4000 10178.00  353.4000 10178.00   353.4000 140.8657 2.449961  140.8657 2.449961  0.000000       0.000000  
1 1 1 8   0  3  o 21.68214 0.6902233 241.6000   15.30000 241.6000  15.30000 241.6000   15.30000 21.68214 0.6902233 21.68214 0.6902233 0.000000       0.000000  
1 1 1 8   0  4  o 431.8145 4.820758  95651.80   2132.500 95651.80  2132.500 95651.80   2132.500 431.8145 4.820758  431.8145 4.820758  0.000000       0.000000  
1 1 1 8   0  5  o 405.2682 4.473874  84245.10   1857.400 84245.10  1857.400 84245.10   1857.400 405.2682 4.473874  405.2682 4.473874  0.000000       0.000000  
1 1 1 8   0  6  o 88.20039 1.177734  3988.100   106.4000 3988.100  106.4000 3988.100   106.4000 88.20039 1.177734  88.20039 1.177734  0.000000       0.000000  
1 1 1 8   0  7  o 92.30122 1.156027  4367.300   109.3000 4367.300  109.3000 4367.300   109.3000 92.30122 1.156027  92.30122 1.156027  0.000000       0.000000  
1 1 1 8   0  8  o 318.7842 3.569863  52119.20   1165.800 52119.20  1165.800 52119.20   1165.800 318.7842 3.569863  318.7842 3.569863  0.000000       0.000000  
1 1 1 8   0  9  o 13.53591 0.7331216 94.70000   10.10000 94.70000  10.10000 94.70000   10.10000 13.53591 0.7331216 13.53591 0.7331216 0.000000       0.000000  
1 1 1 8   0  10 o 198.2707 2.275139  20156.20   462.1000 20156.20  462.1000 20156.20   462.1000 198.2707 2.275139  198.2707 2.275139  0.000000       0.000000  
1 1 1 8   0  11 o 205.1824 3.370879  21606.80   708.3000 21606.80  708.3000 21606.80   708.3000 205.1824 3.370879  205.1824 3.370879  0.000000       0.000000  
1 1 1 8   0  12 o 15.53374 1.041215  125.3000   16.40000 125.3000  16.40000 125.3000   16.40000 15.53374 1.041215  15.53374 1.041215  0.000000       0.000000  
1 1 1 8   0  13 o 25.42855 0.9122202 332.6000   23.70000 332.6000  23.70000 332.6000   23.70000 25.42855 0.9122202 25.42855 0.9122202 0.000000       0.000000  
1 1 1 8   0  14 o 86.11255 1.123506  3801.800   99.10000 3801.800  99.10000 3801.800   99.10000 86.11255 1.123506  86.11255 1.123506  0.000000       0.000000  
1 1 1 8   0  15 o 20.33983 0.7314345 212.8000   15.20000 212.8000  15.20000 212.8000   15.20000 20.33983 0.7314345 20.33983 0.7314345 0.000000       0.000000  
1 1 1 8   0  16 o 51.20915 0.8428332 1344.800   44.20000 1344.800  44.20000 1344.800   44.20000 51.20915 0.8428332 51.20915 0.8428332 0.000000       0.000000  
1 1 1 8   0  17 o 161.4264 1.941215  13364.00   321.0000 13364.00  321.0000 13364.00   321.0000 161.4264 1.941215  161.4264 1.941215  0.000000       0.000000  
1 1 1 8   0  18 o 71.59109 0.9532205 2627.700   69.90000 2627.700  69.90000 2627.700   69.90000 71.59109 0.9532205 71.59109 0.9532205 0.000000       0.000000  
1 1 1 8   0  19 o 126.7957 1.592215  8244.400   206.8000 8244.400  206.8000 8244.400   206.8000 126.7957 1.592215  126.7957 1.592215  0.000000       0.000000  
1 1 1 8   0  20 o 213.6758 2.510436  23428.80   549.5000 23428.80  549.5000 23428.80   549.5000 213.6758 2.510436  213.6758 2.510436  0.000000       0.000000  
1 1 1 8   0  21 o 155.0897 1.873243  12338.10   297.6000 12338.10  297.6000 12338.10   297.6000 155.0897 1.873243  155.0897 1.873243  0.000000       0.000000  
1 1 1 8   0  22 o 26.16620 0.7885654 351.8000   21.10000 351.8000  21.10000 351.8000   21.10000 26.16620 0.7885654 26.16620 0.7885654 0.000000       0.000000  
1 1 1 8   0  23 o 131.6194 1.625075  8886.800   219.1000 8886.800  219.1000 8886.800   219.1000 131.6194 1.625075  131.6194 1.625075  0.000000       0.000000  
1 1 1 8   0  24 o 152.6025 1.825719  11951.00   285.4000 11951.00  285.4000 11951.00   285.4000 152.6025 1.825719  152.6025 1.825719  0.000000       0.000000  
1 1 1 8   0  25 f 3.786821 2.186347  9.100000   13.70000 9.100000  13.70000 9.100000   13.70000 3.786821 2.186347  3.786821 2.186347  0.000000       0.000000  
1 1 1 8   0  26 o 40.51108 0.6869962 841.8000   28.50000 841.8000  28.50000 841.8000   28.50000 40.51108 0.6869962 40.51108 0.6869962 0.000000       0.000000  
1 1 1 8   0  27 o 69.50432 1.026883  2478.500   73.10000 2478.500  73.10000 2478.500   73.10000 69.50432 1.026883  69.50432 1.026883  0.000000       0.000000  
1 1 1 8   1  0  o 287.6089 1.629040  42388.62   480.1006 41333.30  928.8000 43517.80   993.8000 283.9352 3.192307  291.3330 3.328977  -7.397888      4.612257  
1 1 1 8   1  1  o 127.9173 0.9382504 8384.036   122.9834 8725.100  210.0000 7902.000   296.8000 130.4862 1.570566  124.1664 2.332713  6.319801       2.812158  
1 1 1 8   1  2  o 121.7712 0.9050267 7597.704   112.9287 7563.600  181.1000 7654.200   300.0000 121.4921 1.454696  122.2021 2.395765  -0.7099991     2.802825  
1 1 1 8   1  3  o 372.0988 2.063572  70960.59   786.8218 69941.60  1547.300 72014.90   1600.900 369.2530 4.089330  374.6771 4.169737  -5.424103      5.840319  
1 1 1 8   1  4  o 411.0422 2.279413  86598.13   960.0806 87475.90  1933.300 85732.20   1907.200 412.8800 4.569588  408.7465 4.553484  4.133545       6.450996  
1 1 1 8   1  5  o 255.7042 1.442435  33505.35   377.9483 33793.90  762.3000 33221.60   749.6000 256.7400 2.897571  254.5582 2.873718  2.181839       4.080952  
1 1 1 8   1  6  o 134.7959 0.8065861 9309.901   111.4104 9198.200  215.9000 9429.000   230.2000 133.9747 1.572648  135.6436 1.656181  -1.668900      2.283890  
1 1 1 8   1  7  o 227.1826 1.301754  26447.47   303.0416 26225.20  602.9000 26672.10   609.3000 226.1746 2.601375  228.0933 2.606875  -1.918671      3.682791  
1 1 1 8   1  8  o 105.1266 0.6643017 5662.568   71.56102 5139.400  130.6000 6296.700   158.3000 100.1466 1.272648  110.8484 1.393648  -10.70179      1.887296  
1 1 1 8   1  9  o 172.1388 1.078178  15184.00   190.1812 17831.40  465.4000 13354.60   321.6000 186.4899 2.435413  161.4112 1.944393  25.07874       3.116393  
1 1 1 8   1  10 o 35.09599 0.3223192 631.0874   11.59156 804.1000  27.20000 502.6000   20.20000 39.61479 0.6700593 31.31952 0.6294162 8.295265       0.9193172 
1 1 1 8   1  11 o 149.6292 1.288355  11474.10   197.5378 11543.10  392.0000 11404.00   398.2000 150.0192 2.550004  149.1090 2.606148  0.9101715      3.646166  
1 1 1 8   1  12 o 57.61702 0.6257213 1700.995   36.94283 1562.200  67.30000 1869.900   81.90000 55.21086 1.189576  60.40199 1.323227  -5.191132      1.779331  
1 1 1 8   1  13 o 118.9029 0.8567027 7244.775   104.3809 7508.500  262.7000 7070.900   173.2000 120.9967 2.118790  117.4498 1.439121  3.546959       2.561316  
1 1 1 8   1  14 o 89.66441 0.5892433 4119.507   54.13935 3874.400  103.6000 4387.800   113.4000 86.94537 1.162827  92.52593 1.196055  -5.580566      1.668147  
1 1 1 8   1  15 o 147.2269 0.8928998 11107.89   134.7064 10860.00  260.9000 11372.50   278.5000 145.5327 1.749504  148.9219 1.825022  -3.389221      2.528136  
1 1 1 8   1  16 o 102.4963 0.6564837 5383.142   68.94942 5345.800  137.5000 5420.700   138.3000 102.1223 1.313965  102.8353 1.312447  -0.7129822     1.857154  
1 1 1 8   1  17 o 130.6733 0.8215181 8750.352   110.0025 8619.600  216.9000 8884.900   223.2000 129.6567 1.632549  131.6355 1.654713  -1.978851      2.324498  
1 1 1 8   1  18 o 60.81410 0.4655581 1894.983   29.01192 1644.900  52.40000 2205.200   65.00000 56.65425 0.9026106 65.59623 0.9670214 -8.941982      1.322814  
1 1 1 8   1  19 o 155.4394 0.9351530 12382.65   148.9505 12203.40  290.4000 12571.40   305.8000 154.2478 1.837297  156.5497 1.906281  -2.301880      2.647559  
1 1 1 8   1  20 o 25.64087 0.4001930 336.8676   10.51479 255.5000  18.90000 438.9000   23.70000 22.31301 0.8280554 29.25432 0.7913325 -6.941315      1.145375  
1 1 1 8   1  21 o 31.80194 0.3406206 518.2000   11.10000 542.8000  22.20000 493.6000   22.20000 32.54576 0.6656718 31.03544 0.6980663 1.510317       0.9645805 
1 1 1 8   1  22 o 70.36103 0.5109874 2536.818   36.84179 2419.200  72.60000 2658.000   74.80000 68.69681 1.031340  72.00822 1.013727  -3.311409      1.446134  
1 1 1 8   1  23 o 87.65046 0.5996983 3937.048   53.86237 3927.200  109.4000 3946.600   106.1000 87.51107 1.219989  87.72947 1.180243  -0.2183990     1.697453  
1 1 1 8   1  24 o 36.33621 0.3706112 676.5377   13.79928 576.0000  25.00000 800.4000   30.80000 33.52291 0.7277796 39.51629 0.7606347 -5.993378      1.052724  
1 1 1 8   1  25 o 95.59049 0.6349248 4683.438   62.19212 4647.200  123.0000 4720.500   125.8000 95.16608 1.261318  95.91151 1.280005  -0.7454224     1.797035  
1 1 1 8   1  26 o 18.35849 0.4146116 172.7151   7.799679 225.3000  15.70000 120.8000   15.50000 20.95050 0.7324456 15.31403 0.9930984 5.636476       1.233986  
1 1 1 8   1  27 o 7.902062 0.8249332 32.37046   6.581439 37.20000  12.50000 27.00000   13.90000 8.380710 1.511145  7.115463 1.878931  1.265246       2.411211  
1 1 1 8   2  0  o 328.0956 1.840107  55165.92   618.6454 55825.90  1245.900 54515.00   1228.800 329.9361 3.685148  326.0399 3.678003  3.896179       5.206536  
1 1 1 8   2  1  o 102.4464 0.7523358 5377.485   78.97813 5687.300  137.7000 4960.800   185.2000 105.3523 1.275533  98.38750 1.836973  6.964783       2.236393  
1 1 1 8   2  2  o 196.5488 1.316726  19795.35   265.1943 19763.00  447.2000 19842.50   651.6000 196.3654 2.222483  196.7210 3.232451  -0.3555756     3.922776  
1 1 1 8   2  3  o 130.3249 0.7870810 8702.484   105.1103 8462.000  195.9000 8980.900   226.8000 128.5040 1.487714  132.3825 1.671914  -3.878525      2.237988  
1 1 1 8   2  4  o 243.1525 1.377905  30296.29   343.3177 30673.70  683.5000 29915.40   689.8000 244.6099 2.726881  241.5644 2.786711  3.045547       3.898927  
1 1 1 8   2  5  o 275.2685 1.547390  38829.90   436.4703 37579.40  829.0000 40220.40   921.8000 270.7277 2.988296  280.0634 3.212047  -9.335754      4.387158  
1 1 1 8   2  6  o 146.1589 0.8636600 10945.79   129.3500 11174.40  258.6000 10717.00   258.8000 147.6633 1.709062  144.6087 1.746511  3.054535       2.443603  
1 1 1 8   2  7  o 130.9201 0.8036198 8782.298   107.8091 9324.300  219.9000 8261.000   211.5000 134.8873 1.590947  126.9630 1.625680  7.924362       2.274631  
1 1 1 8   2  8  o 165.4138 0.9659120 14020.28   163.7222 14256.30  328.8000 13786.20   326.1000 166.7747 1.923992  164.0013 1.940462  2.773315       2.732606  
1 1 1 8   2  9  o 95.67142 0.5946611 4689.782   58.29752 4850.100  120.2000 4538.800   113.2000 97.28599 1.205746  94.11256 1.173817  3.173424       1.682757  
1 1 1 8   2  10 f 176.9930 1.042390  16052.82   189.0535 15718.80  365.6000 16410.50   391.5000 175.1017 2.037594  178.9073 2.135528  -3.805664      2.951655  
1 1 1 8   2  11 o 131.6391 0.9313362 8879.841   125.6290 8163.800  279.2000 9465.600   228.4000 126.1777 2.159407  135.8896 1.640255  -9.711952      2.711729  
1 1 1 8   2  12 o 158.3062 1.348105  12844.83   218.6855 12823.00  425.7000 12867.90   449.7000 158.0880 2.627885  158.3518 2.771414  -0.2638092     3.819230  
1 1 1 8   2  13 o 65.25896 0.5155981 2182.106   34.47862 1948.400  75.30000 2379.500   63.60000 61.65697 1.191830  68.14221 0.9108408 -6.485241      1.500030  
1 1 1 8   2  14 o 87.17871 0.6551486 3894.356   58.52597 4038.000  144.0000 3796.000   98.60000 88.74902 1.583436  86.06199 1.118065  2.687027       1.938386  
1 1 1 8   2  15 o 123.5720 0.7679921 7824.853   97.24680 8238.100  203.8000 7447.700   186.0000 126.7618 1.568980  120.5305 1.505974  6.231285       2.174777  
1 1 1 8   2  16 f 78.50329 0.5321974 3157.752   42.81136 3263.500  89.70000 3061.200   81.90000 79.79682 1.097005  77.28543 1.034160  2.511391       1.507616  
1 1 1 8   2  17 o 29.83934 0.3343994 456.2061   10.22476 576.7000  23.50000 363.4000   18.10000 33.54759 0.6836096 26.63058 0.6632842 6.917017       0.9525062 
1 1 1 8   2  18 o 83.05777 0.5447333 3534.833   46.36205 3478.100  94.30000 3589.700   91.20000 82.37643 1.117147  83.68910 1.063476  -1.312668      1.542400  
1 1 1 8   2  19 o 99.60104 0.6466777 5083.427   66.00094 4936.300  128.5000 5238.800   135.7000 98.12925 1.277928  101.0899 1.310008  -2.960609      1.830087  
1 1 1 8   2  20 o 80.46530 0.5502993 3317.693   45.37389 3430.600  91.20000 3205.900   90.30000 81.80921 1.087913  79.08376 1.114300  2.725449       1.557312  
1 1 1 8   2  21 o 11.84678 0.7400360 72.20461   8.938753 121.1000  15.20000 2.400000   21.70000 15.34008 0.9719782 5.494455 2.299254  9.845628       2.496260  
1 1 1 8   2  22 o 74.58231 0.5135539 2850.365   39.24825 2946.100  80.60000 2759.500   76.50000 75.80820 1.037577  73.36897 1.017538  2.439240       1.453255  
1 1 1 8   2  23 o 86.29659 0.5768220 3816.343   51.00748 4066.800  107.7000 3591.000   96.90000 89.05334 1.180231  83.68498 1.129999  5.368362       1.633965  
1 1 1 8   2  24 o 18.65671 0.4136112 178.3600   7.907256 184.6000  15.10000 171.5000   16.60000 18.96104 0.7788285 18.26834 0.8894423 0.6926975      1.182236  
1 1 1 8   2  25 o 49.84228 0.3932438 1273.010   20.08437 1339.500  42.60000 1213.700   38.00000 51.11432 0.8133335 48.65691 0.7621505 2.457409       1.114623  
1 1 1 8   2  26 o 41.30263 0.4366027 874.2307   18.47832 878.3000  31.60000 868.5000   44.50000 41.38933 0.7450756 41.13000 1.056727  0.2593269      1.292985  
1 1 1 8   2  27 f 14.14217 0.5287260 102.6546   7.648563 74.10000  13.30000 141.3000   18.00000 11.96600 1.096877  16.55935 1.066463  -4.593352      1.529864  
1 1 1 8   3  0  o 267.7311 1.736192  36733.45   476.3157 36714.70  817.8000 36759.60   1140.700 267.6054 2.982317  267.6870 4.158586  -0.8160400E-01 5.117426  
1 1 1 8   3  1  o 287.1028 1.877744  42243.27   552.4238 42584.70  927.8000 41740.80   1365.400 288.1926 3.141761  285.1957 4.672168  2.996857       5.630260  
1 1 1 8   3  2  o 199.2504 1.303908  20343.42   266.2223 20140.20  442.8000 20649.80   667.6000 198.2295 2.179922  200.6770 3.246537  -2.447510      3.910507  
1 1 1 8   3  3  o 159.2920 0.9200670 13001.26   150.1798 13138.90  292.1000 12855.60   309.1000 160.1182 1.780297  158.3796 1.904589  1.738525       2.607090  
1 1 1 8   3  4  o 85.65458 0.5411620 3759.069   47.49810 3958.700  94.40000 3556.900   95.60000 87.89660 1.048097  83.31607 1.119775  4.580528       1.533755  
1 1 1 8   3  5  o 279.4158 1.560626  40009.64   446.8360 40454.10  885.4000 39556.80   902.1000 280.8753 3.076292  277.7356 3.169748  3.139709       4.417111  
1 1 1 8   3  6  o 248.5476 1.409072  31657.14   358.8732 32124.60  707.4000 31175.80   728.4000 250.3073 2.757993  246.5746 2.882857  3.732620       3.989661  
1 1 1 8   3  7  o 51.84581 0.3742814 1377.217   19.88430 1336.100  35.20000 1430.600   45.70000 51.06512 0.6726977 52.83938 0.8440343 -1.774258      1.079313  
1 1 1 8   3  8  o 41.71926 0.3136776 891.7581   13.40968 746.2000  21.70000 1127.200   35.10000 38.16233 0.5549151 46.90309 0.7303101 -8.740761      0.9172151 
1 1 1 8   3  9  o 126.5883 0.7647905 8210.948   99.20523 8190.400  190.0000 8233.400   207.6000 126.4153 1.466749  126.7429 1.598473  -0.3276291     2.169440  
1 1 1 8   3  10 o 178.0221 1.025790  16240.33   187.1245 17129.60  387.7000 15410.70   361.7000 182.7803 2.069989  173.3693 2.036001  9.411026       2.903473  
1 1 1 8   3  11 o 97.65071 0.7140802 4886.116   71.45306 4966.200  166.8000 4826.100   125.0000 98.42570 1.653823  97.03870 1.257091  1.387001       2.077356  
1 1 1 8   3  12 o 249.1174 2.016290  31826.08   514.7015 32107.30  1013.700 31536.00   1045.600 249.8822 3.958911  247.6119 4.120934  2.270309       5.714462  
1 1 1 8   3  13 o 35.10353 0.3844882 631.3729   13.83032 678.1000  32.10000 596.0000   24.30000 36.37666 0.8611599 34.10460 0.6953364 2.272060       1.106837  
1 1 1 8   3  14 o 89.95975 0.6771898 4146.833   62.42478 3788.600  137.4000 4445.100   114.4000 85.96432 1.559804  93.12701 1.198815  -7.162697      1.967268  
1 1 1 8   3  15 o 106.1863 0.7660304 5777.970   83.35139 5483.400  195.5000 5996.900   145.3000 103.4041 1.845060  108.1625 1.310963  -4.758385      2.263376  
1 1 1 8   3  16 o 68.01614 0.4596565 2370.384   32.03640 2645.300  70.10000 2139.000   59.00000 71.84502 0.9521885 64.60582 0.8912140 7.239204       1.304195  
1 1 1 8   3  17 o 40.92972 0.3549383 858.3460   14.88641 824.5000  28.90000 894.3000   30.70000 40.11241 0.7031058 41.77570 0.7171603 -1.663292      1.004329  
1 1 1 8   3  18 o 126.9290 0.7783915 8256.098   101.2412 7851.700  191.9000 8707.700   214.3000 123.7477 1.513350  130.3128 1.604858  -6.565086      2.205856  
1 1 1 8   3  19 o 47.82960 0.4004532 1172.160   19.62668 1224.900  41.30000 1124.400   37.40000 48.88923 0.8244010 46.84129 0.7791917 2.047935       1.134362  
1 1 1 8   3  20 o 136.2033 0.8260449 9507.527   115.2895 9349.400  228.4000 9668.700   232.8000 135.0083 1.650962  137.2940 1.654752  -2.285690      2.337495  
1 1 1 8   3  21 o 106.0957 0.6582214 5768.375   71.55964 5810.400  146.6000 5728.300   139.8000 106.4467 1.344013  105.6955 1.290780  0.7511826      1.863461  
1 1 1 8   3  22 o 5.269494 1.327268  14.79758   7.161938 4.100000  13.10000 27.70000   15.80000 4.497601 1.823955  7.248438 2.041022  -2.750837      2.737258  
1 1 1 8   3  23 o 12.68435 0.5703748 82.61892   7.394595 87.60000  15.20000 77.90000   14.40000 13.01913 1.151217  12.27042 1.158994  0.7487106      1.633575  
1 1 1 8   3  24 o 57.85094 0.5056444 1715.092   29.97464 1629.400  49.00000 1850.100   77.20000 56.37565 0.8482154 60.04977 1.254607  -3.674118      1.514433  
1 1 1 8   3  25 o 47.81652 0.4455482 1171.707   21.83087 1097.700  36.60000 1281.100   54.10000 46.27172 0.7719107 49.97369 1.056471  -3.701973      1.308425  
1 1 1 8   3  26 o 78.68710 0.6286283 3173.965   50.68691 3229.600  84.80000 3091.300   126.0000 79.33746 1.043084  77.54724 1.585644  1.790222       1.897971  
1 1 1 8   4  0  o 313.0425 4.966396  50307.60   1593.100 50307.60  1593.100 ?          ?        313.0425 4.966396  ?        ?         0.000000       4.966396  
1 1 1 8   4  1  o 58.03904 0.9449694 1726.000   56.20000 1726.000  56.20000 ?          ?        58.03904 0.9449694 ?        ?         0.000000       0.9449694 
1 1 1 8   4  2  o 111.6564 1.719183  6389.200   196.7000 6389.200  196.7000 ?          ?        111.6564 1.719183  ?        ?         0.000000       1.719183  
1 1 1 8   4  3  o 166.0414 1.345797  14127.73   228.9783 13895.10  421.3000 14404.70   501.6000 164.6359 2.497288  167.6104 2.920507  -2.974472      3.842631  
1 1 1 8   4  4  o 165.8643 1.127103  14097.01   191.5645 13861.00  421.3000 14293.80   351.3000 164.4306 2.500405  166.9943 2.052948  -2.563721      3.235216  
1 1 1 8   4  5  o 146.0302 0.9942906 10926.97   148.7834 11228.40  345.0000 10698.40   261.6000 147.9977 2.274918  144.4784 1.766999  3.519302       2.880545  
1 1 1 8   4  6  o 118.1334 0.8249426 7150.708   99.86071 6877.400  214.3000 7389.200   187.0000 115.8358 1.805432  120.0754 1.519809  -4.239639      2.359958  
1 1 1 8   4  7  o 106.5669 0.7546642 5818.977   82.40896 5507.000  173.7000 6100.600   156.8000 103.6560 1.635337  109.1048 1.402503  -5.448860      2.154377  
1 1 1 8   4  8  o 56.97684 0.3864976 1663.318   22.56543 1654.300  40.60000 1674.600   50.80000 56.82071 0.6973022 57.16710 0.8671998 -0.3463898     1.112774  
1 1 1 8   4  9  o 161.4802 0.9409022 13362.12   155.6905 12943.70  289.9000 13847.50   336.3000 158.8995 1.780440  164.3415 1.997014  -5.442032      2.675450  
1 1 1 8   4  10 o 165.4123 0.9522648 14021.20   161.4076 13896.10  310.2000 14156.90   336.5000 164.6309 1.838790  166.1596 1.976338  -1.528748      2.699456  
1 1 1 8   4  11 o 143.4875 0.8597983 10550.46   126.4180 10706.70  243.6000 10381.90   262.8000 144.5129 1.645025  142.2950 1.802342  2.217850       2.440193  
1 1 1 8   4  12 o 69.47546 0.5703589 2473.243   40.60486 2575.200  91.50000 2391.900   73.00000 70.88184 1.259760  68.31689 1.042789  2.564941       1.635360  
1 1 1 8   4  13 o 96.33282 0.9107808 4755.663   89.90556 4761.700  169.0000 4748.800   192.1000 96.36752 1.711424  96.22602 1.948213  0.1415024      2.593165  
1 1 1 8   4  14 f 81.05571 0.6263913 3366.532   52.02687 3347.200  120.6000 3381.200   91.50000 80.80331 1.456531  81.22293 1.099371  -0.4196167     1.824856  
1 1 1 8   4  15 o 183.2576 1.243374  17214.14   233.4868 18008.60  572.7000 16667.30   394.2000 187.2408 2.984891  180.2454 2.134293  6.995316       3.669438  
1 1 1 8   4  16 o 90.82951 0.6613907 4227.463   61.55785 4163.700  141.6000 4276.500   108.9000 90.11584 1.533429  91.34213 1.163478  -1.226288      1.924860  
1 1 1 8   4  17 o 130.9364 0.9054872 8786.248   121.4901 9031.400  294.1000 8613.700   207.0000 132.6682 2.163365  129.6108 1.558586  3.057419       2.666334  
1 1 1 8   4  18 o 97.32625 0.6164025 4853.849   61.47418 4936.400  123.4000 4771.900   122.5000 98.13103 1.227186  96.48164 1.239062  1.649391       1.743921  
1 1 1 8   4  19 o 71.11690 0.4880497 2591.526   35.56601 2485.700  69.00000 2704.100   73.40000 69.63999 0.9669232 72.63441 0.9861778 -2.994423      1.381118  
1 1 1 8   4  20 o 50.40400 0.3985256 1301.758   20.58352 1420.400  43.10000 1193.300   39.40000 52.64500 0.7989539 48.25330 0.7968394 4.391705       1.128397  
1 1 1 8   4  21 o 33.17268 0.3763967 563.8493   12.79454 602.6000  26.90000 528.7000   24.40000 34.28949 0.7655840 32.11852 0.7413717 2.170979       1.065716  
1 1 1 8   4  22 o 94.99597 0.7198800 4625.140   70.07509 4449.200  116.0000 4893.600   177.0000 93.14262 1.215377  97.63125 1.769237  -4.488632      2.146472  
1 1 1 8   4  23 o 70.30987 0.5808446 2533.484   41.84799 2365.200  66.60000 2818.000   112.6000 67.91889 0.9569411 74.09763 1.482981  -6.178741      1.764928  
1 1 1 8   4  24 o 111.8573 0.8210992 6414.963   94.11485 6195.700  154.5000 6756.700   240.8000 109.8616 1.372411  114.5928 2.050693  -4.731224      2.467561  
1 1 1 8   4  25 o 115.5501 0.8615001 6847.127   102.0056 6579.700  166.0000 7273.400   264.6000 113.1795 1.431337  118.7998 2.173580  -5.620331      2.602532  
1 1 1 8   4  26 f 30.25607 0.4165636 469.1390   12.91493 508.9000  22.40000 415.0000   30.50000 31.50518 0.6938533 28.41862 1.049167  3.086565       1.257849  
1 1 1 8   5  0  o 352.1106 5.598529  63709.70   2020.000 63709.70  2020.000 ?          ?        352.1106 5.598529  ?        ?         0.000000       5.598529  
1 1 1 8   5  1  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 8   5  2  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 8   5  3  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 8   5  4  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 8   5  5  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 8   5  6  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 8   5  7  o 128.1774 1.665856  0.000000   0.000000 ?         ?        8421.700   218.8000 ?        ?         128.1774 1.665856  0.000000       1.665856  
1 1 1 8   5  8  o 178.9410 2.208206  0.000000   0.000000 ?         ?        16421.20   404.9000 ?        ?         178.9410 2.208206  0.000000       2.208206  
1 1 1 8   5  9  o 120.9256 0.8294244 7493.274   102.7764 7354.700  225.0000 7609.800   189.2000 119.7667 1.833362  121.8404 1.515414  -2.073784      2.378591  
1 1 1 8   5  10 o 64.55710 0.5275466 2135.433   34.89821 2074.500  70.30000 2195.500   69.30000 63.62248 1.078317  65.45242 1.033259  -1.829937      1.493450  
1 1 1 8   5  11 o 136.9885 0.8130732 9616.355   114.1332 9850.700  220.5000 9364.900   236.6000 138.6164 1.552371  135.1463 1.708489  3.470093       2.308417  
1 1 1 8   5  12 o 138.0949 0.8182907 9772.420   115.7934 10119.80  225.6000 9406.100   237.9000 140.4942 1.567048  135.4407 1.714142  5.053543       2.322482  
1 1 1 8   5  13 o 164.7979 1.113002  13919.51   187.9515 13553.00  426.4000 14208.40   336.1000 162.4916 2.560871  166.4370 1.970698  -3.945389      3.231364  
1 1 1 8   5  14 o 70.07387 0.5611503 2516.059   40.29338 2836.400  94.40000 2277.500   70.30000 74.38779 1.238431  66.66186 1.029152  7.725929       1.610238  
1 1 1 8   5  15 o 82.26491 0.5901493 3467.721   49.74791 3269.000  108.6000 3635.700   91.80000 79.85561 1.327168  84.22366 1.063678  -4.368050      1.700819  
1 1 1 8   5  16 o 62.02567 0.4954593 1971.270   31.49037 1892.600  71.30000 2033.500   56.40000 60.76482 1.145088  62.99176 0.8737697 -2.226936      1.440382  
1 1 1 8   5  17 o 41.11028 0.8023576 866.1000   33.80000 866.1000  33.80000 ?          ?        41.11028 0.8023576 ?        ?         0.000000       0.8023576 
1 1 1 8   5  18 o 107.0568 0.7365094 5873.420   80.79618 5403.800  175.4000 6274.500   149.8000 102.6416 1.667661  110.6250 1.321478  -7.983421      2.127768  
1 1 1 8   5  19 o 74.83356 0.5548687 2869.609   42.54857 2992.300  102.0000 2781.800   73.00000 76.39216 1.303026  73.66910 0.9670282 2.723061       1.622658  
1 1 1 8   5  20 o 73.99715 0.7688072 2806.310   58.29493 2673.100  101.2000 2987.300   137.5000 72.19486 1.367968  76.29507 1.758765  -4.100204      2.228136  
1 1 1 8   5  21 o 98.91493 0.7692887 5014.818   77.97395 4967.600  125.8000 5091.800   205.1000 98.41808 1.247405  99.56241 2.010351  -1.144333      2.365910  
1 1 1 8   5  22 o 110.0488 0.7986713 6208.010   90.06409 6507.300  160.7000 5826.400   204.9000 112.6138 1.392598  106.4943 1.877662  6.119522       2.337722  
1 1 1 8   5  23 o 58.46066 0.5051934 1751.474   30.26354 1617.800  50.60000 1950.400   75.30000 56.17135 0.8790979 61.65631 1.191843  -5.484959      1.480980  
1 1 1 8   5  24 o 65.76430 0.5353366 2216.651   36.07576 2196.600  59.60000 2247.400   91.40000 65.44653 0.8887123 66.15845 1.348225  -0.7119141     1.614782  
1 1 1 8   5  25 o 61.85678 0.5066687 1961.101   32.11514 1917.300  53.30000 2027.500   80.80000 61.14201 0.8507249 62.83699 1.254867  -1.694981      1.516055  
1 1 1 8   6  0  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 8   6  1  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 8   6  2  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 8   6  3  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 8   6  4  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 8   6  5  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 8   6  6  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 8   6  7  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 8   6  8  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 8   6  9  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 8   6  10 o 46.41891 0.8724785 0.000000   0.000000 ?         ?        1104.200   41.50000 ?        ?         46.41891 0.8724785 0.000000       0.8724785 
1 1 1 8   6  11 o 118.0011 1.472094  0.000000   0.000000 ?         ?        7138.500   178.0000 ?        ?         118.0011 1.472094  0.000000       1.472094  
1 1 1 8   6  12 o 122.5579 0.7166958 7696.907   90.00663 7647.000  166.8000 7755.400   195.5000 122.1373 1.332752  122.9886 1.551256  -0.8512878     2.045147  
1 1 1 8   6  13 o 104.8474 0.7324695 5633.198   78.69473 5856.800  181.9000 5462.700   138.7000 106.8718 1.661006  103.2299 1.311211  3.641907       2.116179  
1 1 1 8   6  14 o 157.3826 1.055933  12695.09   170.2909 12822.90  396.3000 12598.80   298.6000 158.0502 2.446982  156.7261 1.859303  1.324081       3.073227  
1 1 1 8   6  15 o 55.88154 0.4646848 1600.062   26.60880 1763.300  60.50000 1471.900   47.50000 58.65491 1.006590  53.59200 0.8649585 5.062912       1.327169  
1 1 1 8   6  16 o 69.88976 0.5295243 2502.882   37.92257 2478.900  81.40000 2523.800   71.00000 69.54095 1.142314  70.17220 0.9874040 -0.6312485     1.509916  
1 1 1 8   6  17 o 63.96857 0.4672619 2096.724   30.62848 2062.400  69.60000 2123.700   54.70000 63.43053 1.070810  64.37245 0.8292565 -0.9419250     1.354364  
1 1 1 8   6  18 o 77.86369 0.6957598 3106.978   55.51274 3357.800  112.7000 2863.500   109.4000 80.91945 1.359166  74.72297 1.428778  6.196480       1.971989  
1 1 1 8   6  19 o 78.58466 0.6707278 3164.836   54.01103 3054.800  99.60000 3295.200   118.0000 77.18239 1.259339  80.15133 1.436723  -2.968941      1.910525  
1 1 1 8   6  20 o 40.40563 0.4406296 836.5787   18.24374 823.8000  30.50000 855.6000   45.40000 40.09122 0.7424243 40.83500 1.085952  -0.7437744     1.315479  
1 1 1 8   6  21 o 73.31586 0.6642140 2754.949   49.90044 2636.500  86.90000 2914.700   117.2000 71.69566 1.182847  75.35690 1.517771  -3.661232      1.924255  
1 1 1 8   6  22 o 39.12587 0.4931882 784.5125   19.77311 774.7000  31.40000 801.2000   53.40000 38.87322 0.7882804 39.48878 1.321543  -0.6155586     1.538786  
1 1 1 8   6  23 o 13.18788 0.5711260 89.30986   7.699710 72.70000  11.60000 122.1000   22.90000 11.86660 0.9622149 15.34747 1.474241  -3.480869      1.760467  
1 1 1 8   6  24 o 66.35434 1.472198  0.000000   0.000000 ?         ?        2262.700   100.1000 ?        ?         66.35434 1.472198  0.000000       1.472198  
1 1 1 8   7  0  o 44.27370 1.142743  0.000000   0.000000 ?         ?        1005.200   51.80000 ?        ?         44.27370 1.142743  0.000000       1.142743  
1 1 1 8   7  1  o 91.33537 1.250111  0.000000   0.000000 ?         ?        4275.400   117.0000 ?        ?         91.33537 1.250111  0.000000       1.250111  
1 1 1 8   7  2  o 338.7100 3.787051  0.000000   0.000000 ?         ?        58951.40   1314.400 ?        ?         338.7100 3.787051  0.000000       3.787051  
1 1 1 8   7  3  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 8   7  4  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 8   7  5  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 8   7  6  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 8   7  7  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 8   7  8  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 8   7  9  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 8   7  10 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 8   7  11 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 8   7  12 o 132.3287 2.488242  0.000000   0.000000 ?         ?        8989.700   337.4000 ?        ?         132.3287 2.488242  0.000000       2.488242  
1 1 1 8   7  13 o 104.6748 1.366764  0.000000   0.000000 ?         ?        5617.300   146.6000 ?        ?         104.6748 1.366764  0.000000       1.366764  
1 1 1 8   7  14 o 48.84186 0.7852392 0.000000   0.000000 ?         ?        1222.500   39.30000 ?        ?         48.84186 0.7852392 0.000000       0.7852392 
1 1 1 8   7  15 o 100.1104 0.7013171 5135.846   71.94360 5175.300  162.5000 5104.500   129.1000 100.4543 1.578652  99.78263 1.262621  0.6716995      2.021473  
1 1 1 8   7  16 o 149.7579 1.013672  11496.07   155.5556 11381.40  351.1000 11587.30   279.3000 148.8655 2.301646  150.2741 1.813796  -1.408600      2.930432  
1 1 1 8   7  17 o 148.8670 0.9971782 11360.13   152.1142 11151.90  344.0000 11525.20   272.7000 147.3405 2.278442  149.8631 1.775792  -2.522629      2.888726  
1 1 1 8   7  18 o 63.80177 0.5050171 2085.927   33.01696 2133.300  70.50000 2044.200   62.10000 64.50537 1.066584  63.14796 0.9596964 1.357407       1.434788  
1 1 1 8   7  19 o 89.85885 0.7857740 4138.803   72.35306 3948.000  125.8000 4397.100   170.3000 87.72263 1.399493  92.53736 1.795970  -4.814735      2.276860  
1 1 1 8   7  20 o 11.68058 0.5854244 70.09844   6.984688 53.20000  10.30000 105.7000   21.70000 10.13616 1.004880  14.27108 1.506613  -4.134923      1.810985  
1 1 1 8   7  21 o 16.97746 0.4922865 147.8381   8.555198 126.1000  12.30000 197.5000   28.10000 15.66464 0.7686247 19.56305 1.411238  -3.898404      1.606977  
1 1 1 8   7  22 f 85.49431 0.7602417 3747.609   66.60201 3642.100  119.6000 3880.200   150.3000 84.21214 1.385984  86.87122 1.688436  -2.659088      2.184438  
1 1 1 8   7  23 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 8   8  0  o 89.16906 1.162283  0.000000   0.000000 ?         ?        4075.200   106.2000 ?        ?         89.16906 1.162283  0.000000       1.162283  
1 1 1 8   8  1  o 125.5884 1.518367  0.000000   0.000000 ?         ?        8086.000   195.4000 ?        ?         125.5884 1.518367  0.000000       1.518367  
1 1 1 8   8  2  o 141.9298 1.773289  0.000000   0.000000 ?         ?        10329.70   257.9000 ?        ?         141.9298 1.773289  0.000000       1.773289  
1 1 1 8   8  3  o 163.6655 1.968294  0.000000   0.000000 ?         ?        13738.80   330.1000 ?        ?         163.6655 1.968294  0.000000       1.968294  
1 1 1 8   8  4  o 71.66547 0.9641063 0.000000   0.000000 ?         ?        2632.100   70.80000 ?        ?         71.66547 0.9641063 0.000000       0.9641063 
1 1 1 8   8  5  o 110.6952 1.414972  0.000000   0.000000 ?         ?        6281.700   160.5000 ?        ?         110.6952 1.414972  0.000000       1.414972  
1 1 1 8   8  6  o 88.18047 1.215155  0.000000   0.000000 ?         ?        3985.700   109.8000 ?        ?         88.18047 1.215155  0.000000       1.215155  
1 1 1 8   8  7  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 8   8  8  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 8   8  9  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 8   8  10 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 8   8  11 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 8   8  12 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 8   8  13 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 8   8  14 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 8   8  15 o 83.36063 1.545306  0.000000   0.000000 ?         ?        3564.600   132.0000 ?        ?         83.36063 1.545306  0.000000       1.545306  
1 1 1 8   8  16 o 8.846910 1.867782  0.000000   0.000000 ?         ?        41.70000   16.40000 ?        ?         8.846910 1.867782  0.000000       1.867782  
1 1 1 8   8  17 o 98.70470 1.264545  0.000000   0.000000 ?         ?        4996.900   127.9000 ?        ?         98.70470 1.264545  0.000000       1.264545  
1 1 1 8   8  18 o 137.0022 0.9451478 9623.241   132.6862 9827.000  301.3000 9462.900   237.1000 138.2525 2.126806  135.7512 1.704470  2.501251       2.725531  
1 1 1 8   8  19 o 77.31608 0.5857872 3063.697   46.40963 3047.200  97.10000 3078.800   88.90000 77.06604 1.229583  77.47382 1.119820  -0.4077835     1.663091  
1 1 1 8   8  20 o 28.79975 0.7393135 0.000000   0.000000 ?         ?        425.5000   21.80000 ?        ?         28.79975 0.7393135 0.000000       0.7393135 
1 1 1 8   8  21 o 20.92670 1.279214  0.000000   0.000000 ?         ?        225.7000   27.30000 ?        ?         20.92670 1.279214  0.000000       1.279214  
1 1 1 8   8  22 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 8   9  0  o 98.16840 1.275430  0.000000   0.000000 ?         ?        4940.000   128.3000 ?        ?         98.16840 1.275430  0.000000       1.275430  
1 1 1 8   9  1  o 39.07475 0.7117873 0.000000   0.000000 ?         ?        782.4000   28.50000 ?        ?         39.07475 0.7117873 0.000000       0.7117873 
1 1 1 8   9  2  o 118.2482 1.423627  0.000000   0.000000 ?         ?        7168.600   172.5000 ?        ?         118.2482 1.423627  0.000000       1.423627  
1 1 1 8   9  3  o 17.40581 1.013592  0.000000   0.000000 ?         ?        155.8000   18.00000 ?        ?         17.40581 1.013592  0.000000       1.013592  
1 1 1 8   9  4  o 80.35213 1.068776  0.000000   0.000000 ?         ?        3309.200   88.00000 ?        ?         80.35213 1.068776  0.000000       1.068776  
1 1 1 8   9  5  o 82.74411 1.151103  0.000000   0.000000 ?         ?        3509.400   97.60000 ?        ?         82.74411 1.151103  0.000000       1.151103  
1 1 1 8   9  6  o 13.46363 1.156432  0.000000   0.000000 ?         ?        93.60000   15.80000 ?        ?         13.46363 1.156432  0.000000       1.156432  
1 1 1 8   9  7  o 28.04692 0.7522506 0.000000   0.000000 ?         ?        403.4000   21.60000 ?        ?         28.04692 0.7522506 0.000000       0.7522506 
1 1 1 8   9  8  o 19.92470 1.012284  0.000000   0.000000 ?         ?        204.0000   20.60000 ?        ?         19.92470 1.012284  0.000000       1.012284  
1 1 1 8   9  9  o 93.39346 1.246596  0.000000   0.000000 ?         ?        4471.500   119.3000 ?        ?         93.39346 1.246596  0.000000       1.246596  
1 1 1 8   9  10 o 131.6540 2.377946  0.000000   0.000000 ?         ?        8900.400   320.8000 ?        ?         131.6540 2.377946  0.000000       2.377946  
1 1 1 8   9  11 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 8   9  12 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 8   9  13 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 8   9  14 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 8   9  15 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 8   9  16 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 8   9  17 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 8   9  18 o 36.86304 1.038795  0.000000   0.000000 ?         ?        697.6000   39.20000 ?        ?         36.86304 1.038795  0.000000       1.038795  
1 1 1 8   9  19 o 44.26664 1.049378  0.000000   0.000000 ?         ?        1005.400   47.60000 ?        ?         44.26664 1.049378  0.000000       1.049378  
1 1 1 8   9  20 o 8.647007 2.464806  0.000000   0.000000 ?         ?        39.60000   22.90000 ?        ?         8.647007 2.464806  0.000000       2.464806  
1 1 1 8   9  21 f 45.83775 1.199665  0.000000   0.000000 ?         ?        1079.800   56.30000 ?        ?         45.83775 1.199665  0.000000       1.199665  
1 1 1 8   10 0  o 131.4722 1.598129  0.000000   0.000000 ?         ?        8863.900   215.3000 ?        ?         131.4722 1.598129  0.000000       1.598129  
1 1 1 8   10 1  o 143.4926 1.708409  0.000000   0.000000 ?         ?        10560.30   251.2000 ?        ?         143.4926 1.708409  0.000000       1.708409  
1 1 1 8   10 2  o 123.2031 1.536673  0.000000   0.000000 ?         ?        7783.600   194.0000 ?        ?         123.2031 1.536673  0.000000       1.536673  
1 1 1 8   10 3  o 82.66731 1.062454  0.000000   0.000000 ?         ?        3502.800   90.00000 ?        ?         82.66731 1.062454  0.000000       1.062454  
1 1 1 8   10 4  o 70.00296 1.010702  0.000000   0.000000 ?         ?        2511.700   72.50000 ?        ?         70.00296 1.010702  0.000000       1.010702  
1 1 1 8   10 5  o 45.52402 0.8317499 0.000000   0.000000 ?         ?        1062.100   38.80000 ?        ?         45.52402 0.8317499 0.000000       0.8317499 
1 1 1 8   10 6  o 111.4760 1.356037  0.000000   0.000000 ?         ?        6371.600   154.9000 ?        ?         111.4760 1.356037  0.000000       1.356037  
1 1 1 8   10 7  o 154.3514 1.899289  0.000000   0.000000 ?         ?        12225.10   300.4000 ?        ?         154.3514 1.899289  0.000000       1.899289  
1 1 1 8   10 8  o 52.81147 0.8112186 0.000000   0.000000 ?         ?        1429.400   43.90000 ?        ?         52.81147 0.8112186 0.000000       0.8112186 
1 1 1 8   10 9  o 86.27311 1.119854  0.000000   0.000000 ?         ?        3815.800   99.00000 ?        ?         86.27311 1.119854  0.000000       1.119854  
1 1 1 8   10 10 o 157.3355 1.892418  0.000000   0.000000 ?         ?        12707.10   305.1000 ?        ?         157.3355 1.892418  0.000000       1.892418  
1 1 1 8   10 11 o 67.57950 0.9834080 0.000000   0.000000 ?         ?        2341.200   68.10000 ?        ?         67.57950 0.9834080 0.000000       0.9834080 
1 1 1 8   10 12 o 73.53174 1.072354  0.000000   0.000000 ?         ?        2772.300   80.80000 ?        ?         73.53174 1.072354  0.000000       1.072354  
1 1 1 8   10 13 o 91.24500 1.266322  0.000000   0.000000 ?         ?        4270.600   118.4000 ?        ?         91.24500 1.266322  0.000000       1.266322  
1 1 1 8   10 14 o 84.46271 1.612954  0.000000   0.000000 ?         ?        3662.900   139.6000 ?        ?         84.46271 1.612954  0.000000       1.612954  
1 1 1 8   10 15 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 8   10 16 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 8   10 17 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 8   10 18 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 8   10 19 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 8   11 0  o 153.9675 1.836205  0.000000   0.000000 ?         ?        12163.20   289.7000 ?        ?         153.9675 1.836205  0.000000       1.836205  
1 1 1 8   11 1  o 131.9591 1.594451  0.000000   0.000000 ?         ?        8931.600   215.6000 ?        ?         131.9591 1.594451  0.000000       1.594451  
1 1 1 8   11 2  o 74.27799 1.102309  0.000000   0.000000 ?         ?        2828.300   83.90000 ?        ?         74.27799 1.102309  0.000000       1.102309  
1 1 1 8   11 3  o 53.81932 0.9011973 0.000000   0.000000 ?         ?        1484.600   49.70000 ?        ?         53.81932 0.9011973 0.000000       0.9011973 
1 1 1 8   11 4  o 30.91231 0.8247054 0.000000   0.000000 ?         ?        490.1000   26.10000 ?        ?         30.91231 0.8247054 0.000000       0.8247054 
1 1 1 8   11 5  o 57.94329 0.8320040 0.000000   0.000000 ?         ?        1720.800   49.40000 ?        ?         57.94329 0.8320040 0.000000       0.8320040 
1 1 1 8   11 6  o 48.29088 0.7719690 0.000000   0.000000 ?         ?        1195.200   38.20000 ?        ?         48.29088 0.7719690 0.000000       0.7719690 
1 1 1 8   11 7  o 71.24854 1.038233  0.000000   0.000000 ?         ?        2602.500   75.80000 ?        ?         71.24854 1.038233  0.000000       1.038233  
1 1 1 8   11 8  o 127.3180 1.593552  0.000000   0.000000 ?         ?        8318.300   207.9000 ?        ?         127.3180 1.593552  0.000000       1.593552  
1 1 1 8   11 9  o 81.74381 1.117436  0.000000   0.000000 ?         ?        3426.500   93.60000 ?        ?         81.74381 1.117436  0.000000       1.117436  
1 1 1 8   11 10 o 49.92239 0.8503457 0.000000   0.000000 ?         ?        1277.600   43.50000 ?        ?         49.92239 0.8503457 0.000000       0.8503457 
1 1 1 8   11 11 o 37.96008 0.8226677 0.000000   0.000000 ?         ?        738.7000   32.00000 ?        ?         37.96008 0.8226677 0.000000       0.8226677 
1 1 1 8   11 12 o 36.79660 0.7638119 0.000000   0.000000 ?         ?        694.1000   28.80000 ?        ?         36.79660 0.7638119 0.000000       0.7638119 
1 1 1 8   11 13 o 45.46806 0.7147259 0.000000   0.000000 ?         ?        1059.800   33.30000 ?        ?         45.46806 0.7147259 0.000000       0.7147259 
1 1 1 8   11 14 f 16.32457 0.9849831 0.000000   0.000000 ?         ?        137.2000   16.40000 ?        ?         16.32457 0.9849831 0.000000       0.9849831 
1 1 1 8   11 15 o 41.79968 1.133369  0.000000   0.000000 ?         ?        897.5000   48.50000 ?        ?         41.79968 1.133369  0.000000       1.133369  
1 1 1 8   11 16 o 46.89828 1.023788  0.000000   0.000000 ?         ?        1128.800   49.20000 ?        ?         46.89828 1.023788  0.000000       1.023788  
1 1 1 8   11 17 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 8   12 0  o 55.49707 0.9161556 0.000000   0.000000 ?         ?        1578.800   52.10000 ?        ?         55.49707 0.9161556 0.000000       0.9161556 
1 1 1 8   12 1  o 145.0547 1.718940  0.000000   0.000000 ?         ?        10799.90   255.5000 ?        ?         145.0547 1.718940  0.000000       1.718940  
1 1 1 8   12 2  o 15.08317 1.266891  0.000000   0.000000 ?         ?        117.5000   19.40000 ?        ?         15.08317 1.266891  0.000000       1.266891  
1 1 1 8   12 3  o 232.0842 2.691559  0.000000   0.000000 ?         ?        27730.80   640.1000 ?        ?         232.0842 2.691559  0.000000       2.691559  
1 1 1 8   12 4  o 76.87275 1.056216  0.000000   0.000000 ?         ?        3030.100   83.20000 ?        ?         76.87275 1.056216  0.000000       1.056216  
1 1 1 8   12 5  o 89.92879 1.163316  0.000000   0.000000 ?         ?        4147.700   107.2000 ?        ?         89.92879 1.163316  0.000000       1.163316  
1 1 1 8   12 6  o 43.84014 0.7813342 0.000000   0.000000 ?         ?        985.2000   35.10000 ?        ?         43.84014 0.7813342 0.000000       0.7813342 
1 1 1 8   12 7  o 137.3207 1.658695  0.000000   0.000000 ?         ?        9684.400   233.4000 ?        ?         137.3207 1.658695  0.000000       1.658695  
1 1 1 8   12 8  o 100.6957 1.246326  0.000000   0.000000 ?         ?        5202.700   128.6000 ?        ?         100.6957 1.246326  0.000000       1.246326  
1 1 1 8   12 9  o 25.06912 1.033811  0.000000   0.000000 ?         ?        322.9000   26.50000 ?        ?         25.06912 1.033811  0.000000       1.033811  
1 1 1 8   12 10 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 8   12 11 o 19.48299 1.309938  0.000000   0.000000 ?         ?        195.8000   26.00000 ?        ?         19.48299 1.309938  0.000000       1.309938  
1 1 1 8   12 12 o 32.12506 1.159299  0.000000   0.000000 ?         ?        530.5000   38.10000 ?        ?         32.12506 1.159299  0.000000       1.159299  
1 1 1 8   12 13 o 31.53635 1.069148  0.000000   0.000000 ?         ?        511.1000   34.50000 ?        ?         31.53635 1.069148  0.000000       1.069148  
1 1 1 8   12 14 o 48.90614 1.193272  0.000000   0.000000 ?         ?        1228.600   59.80000 ?        ?         48.90614 1.193272  0.000000       1.193272  
1 1 1 8   13 0  f 38.07505 0.7971160 0.000000   0.000000 ?         ?        743.2000   31.10000 ?        ?         38.07505 0.7971160 0.000000       0.7971160 
1 1 1 8   13 1  o 43.73838 0.7630712 0.000000   0.000000 ?         ?        980.7000   34.20000 ?        ?         43.73838 0.7630712 0.000000       0.7630712 
1 1 1 8   13 2  o 108.5069 1.541541  0.000000   0.000000 ?         ?        6046.700   171.4000 ?        ?         108.5069 1.541541  0.000000       1.541541  
1 1 1 8   13 3  o 67.64881 0.9420081 0.000000   0.000000 ?         ?        2346.900   65.30000 ?        ?         67.64881 0.9420081 0.000000       0.9420081 
1 1 1 8   13 4  o 50.32524 0.8280253 0.000000   0.000000 ?         ?        1298.600   42.70000 ?        ?         50.32524 0.8280253 0.000000       0.8280253 
1 1 1 8   13 5  o 36.90062 0.9581736 0.000000   0.000000 ?         ?        698.9000   36.20000 ?        ?         36.90062 0.9581736 0.000000       0.9581736 
1 1 1 8   13 6  o 63.23817 0.9351795 0.000000   0.000000 ?         ?        2051.300   60.60000 ?        ?         63.23817 0.9351795 0.000000       0.9351795 
1 1 1 8   13 7  o 37.59324 0.7735853 0.000000   0.000000 ?         ?        724.7000   29.80000 ?        ?         37.59324 0.7735853 0.000000       0.7735853 
1 1 1 8   13 8  o 13.95673 1.826840  0.000000   0.000000 ?         ?        102.0000   25.50000 ?        ?         13.95673 1.826840  0.000000       1.826840  
1 1 1 8   13 9  o 80.48502 1.486541  0.000000   0.000000 ?         ?        3331.300   122.6000 ?        ?         80.48502 1.486541  0.000000       1.486541  
1 1 1 8   13 10 o 5.287883 2.296008  0.000000   0.000000 ?         ?        -3.600000  23.10000 ?        ?         5.287883 2.296008  0.000000       2.296008  
1 1 1 8   13 11 o 52.62535 1.157154  0.000000   0.000000 ?         ?        1422.600   62.40000 ?        ?         52.62535 1.157154  0.000000       1.157154  
1 1 1 8   14 0  o 67.20274 0.9366437 0.000000   0.000000 ?         ?        2317.100   64.50000 ?        ?         67.20274 0.9366437 0.000000       0.9366437 
1 1 1 8   14 1  o 12.20470 1.366782  0.000000   0.000000 ?         ?        77.50000   16.80000 ?        ?         12.20470 1.366782  0.000000       1.366782  
1 1 1 8   14 2  o 85.90429 1.627920  0.000000   0.000000 ?         ?        3798.000   143.3000 ?        ?         85.90429 1.627920  0.000000       1.627920  
1 1 1 8   14 3  o 43.53896 1.092435  0.000000   0.000000 ?         ?        973.9000   48.70000 ?        ?         43.53896 1.092435  0.000000       1.092435  
1 1 1 8   14 4  o 55.04792 1.139913  0.000000   0.000000 ?         ?        1556.300   64.30000 ?        ?         55.04792 1.139913  0.000000       1.139913  
1 1 1 8   14 5  o 69.81781 1.280356  0.000000   0.000000 ?         ?        2505.400   91.60000 ?        ?         69.81781 1.280356  0.000000       1.280356  
1 1 1 8   14 6  o 29.66348 1.084193  0.000000   0.000000 ?         ?        452.5000   32.90000 ?        ?         29.66348 1.084193  0.000000       1.084193  
1 1 1 8   14 7  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 9   0  0  o 242.1926 2.759336  30073.50   684.6000 30073.50  684.6000 30073.50   684.6000 242.1926 2.759336  242.1926 2.759336  0.000000       0.000000  
1 1 1 9   0  1  o 334.3465 5.286304  57379.40   1810.100 57379.40  1810.100 57379.40   1810.100 334.3465 5.286304  334.3465 5.286304  0.000000       0.000000  
1 1 1 9   0  2  o 230.4192 2.653353  27220.80   626.3000 27220.80  626.3000 27220.80   626.3000 230.4192 2.653353  230.4192 2.653353  0.000000       0.000000  
1 1 1 9   0  3  o 266.5043 3.098480  36419.10   845.9000 36419.10  845.9000 36419.10   845.9000 266.5043 3.098480  266.5043 3.098480  0.000000       0.000000  
1 1 1 9   0  4  o 38.28873 0.7039973 751.9000   27.60000 751.9000  27.60000 751.9000   27.60000 38.28873 0.7039973 38.28873 0.7039973 0.000000       0.000000  
1 1 1 9   0  5  o 592.8484 6.489056  180514.0   3941.000 180514.0  3941.000 180514.0   3941.000 592.8484 6.489056  592.8484 6.489056  0.000000       0.000000  
1 1 1 9   0  6  o 312.8505 3.491538  50199.50   1119.000 50199.50  1119.000 50199.50   1119.000 312.8505 3.491538  312.8505 3.491538  0.000000       0.000000  
1 1 1 9   0  7  o 20.23574 0.6720244 210.5000   13.90000 210.5000  13.90000 210.5000   13.90000 20.23574 0.6720244 20.23574 0.6720244 0.000000       0.000000  
1 1 1 9   0  8  f 82.56168 1.053562  3494.400   89.10000 3494.400  89.10000 3494.400   89.10000 82.56168 1.053562  82.56168 1.053562  0.000000       0.000000  
1 1 1 9   0  9  o 368.7470 4.114356  69792.50   1554.200 69792.50  1554.200 69792.50   1554.200 368.7470 4.114356  368.7470 4.114356  0.000000       0.000000  
1 1 1 9   0  10 o 49.94900 0.7486753 1279.200   38.30000 1279.200  38.30000 1279.200   38.30000 49.94900 0.7486753 49.94900 0.7486753 0.000000       0.000000  
1 1 1 9   0  11 o 165.3492 1.957723  14019.80   331.6000 14019.80  331.6000 14019.80   331.6000 165.3492 1.957723  165.3492 1.957723  0.000000       0.000000  
1 1 1 9   0  12 o 173.8166 2.053303  15493.70   365.6000 15493.70  365.6000 15493.70   365.6000 173.8166 2.053303  173.8166 2.053303  0.000000       0.000000  
1 1 1 9   0  13 o 205.0075 2.407065  21557.90   505.5000 21557.90  505.5000 21557.90   505.5000 205.0075 2.407065  205.0075 2.407065  0.000000       0.000000  
1 1 1 9   0  14 o 76.76835 1.419772  3023.400   111.6000 3023.400  111.6000 3023.400   111.6000 76.76835 1.419772  76.76835 1.419772  0.000000       0.000000  
1 1 1 9   0  15 o 11.46441 1.491151  70.70000   16.70000 70.70000  16.70000 70.70000   16.70000 11.46441 1.491151  11.46441 1.491151  0.000000       0.000000  
1 1 1 9   0  16 o 168.3594 2.915862  14553.80   502.7000 14553.80  502.7000 14553.80   502.7000 168.3594 2.915862  168.3594 2.915862  0.000000       0.000000  
1 1 1 9   0  17 o 18.94699 1.095230  185.8000   21.10000 185.8000  21.10000 185.8000   21.10000 18.94699 1.095230  18.94699 1.095230  0.000000       0.000000  
1 1 1 9   0  18 o 20.45320 1.119439  216.3000   23.30000 216.3000  23.30000 216.3000   23.30000 20.45320 1.119439  20.45320 1.119439  0.000000       0.000000  
1 1 1 9   0  19 o 49.28727 0.8123005 1245.800   41.00000 1245.800  41.00000 1245.800   41.00000 49.28727 0.8123005 49.28727 0.8123005 0.000000       0.000000  
1 1 1 9   0  20 o 232.2990 2.697451  27704.90   641.9000 27704.90  641.9000 27704.90   641.9000 232.2990 2.697451  232.2990 2.697451  0.000000       0.000000  
1 1 1 9   0  21 o 32.34090 0.7371385 536.8000   24.40000 536.8000  24.40000 536.8000   24.40000 32.34090 0.7371385 32.34090 0.7371385 0.000000       0.000000  
1 1 1 9   0  22 o 9.073827 1.847645  47.10000   15.20000 47.10000  15.20000 47.10000   15.20000 9.073827 1.847645  9.073827 1.847645  0.000000       0.000000  
1 1 1 9   0  23 o 23.76704 0.8110394 290.5000   19.70000 290.5000  19.70000 290.5000   19.70000 23.76704 0.8110394 23.76704 0.8110394 0.000000       0.000000  
1 1 1 9   0  24 o 43.89702 0.8053877 988.6000   36.20000 988.6000  36.20000 988.6000   36.20000 43.89702 0.8053877 43.89702 0.8053877 0.000000       0.000000  
1 1 1 9   0  25 o 23.37996 0.6564968 280.8000   15.70000 280.8000  15.70000 280.8000   15.70000 23.37996 0.6564968 23.37996 0.6564968 0.000000       0.000000  
1 1 1 9   0  26 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 9   1  0  o 278.4255 1.575453  39725.45   449.4825 38550.70  868.8000 40984.70   931.3000 274.2036 3.092063  282.7190 3.214669  -8.515411      4.460375  
1 1 1 9   1  1  o 105.3826 0.9604633 5690.337   103.7166 4680.000  167.0000 7346.200   273.7000 95.56287 1.705410  119.7188 2.231074  -24.15596      2.808223  
1 1 1 9   1  2  o 171.0122 0.9887879 14985.02   173.2721 15001.80  342.2000 14967.80   351.0000 171.0881 1.951919  170.8927 2.004404  0.1954346      2.797789  
1 1 1 9   1  3  o 128.5906 0.7911609 8472.476   104.2491 8829.600  209.1000 8117.400   207.9000 131.2626 1.554585  125.8565 1.612057  5.406120       2.239523  
1 1 1 9   1  4  o 96.32274 0.6250593 4753.806   61.69478 4843.400  118.5000 4656.500   128.7000 97.22164 1.189480  95.32597 1.317556  1.895676       1.775053  
1 1 1 9   1  5  o 190.2495 1.094578  18546.77   213.3874 19604.80  450.9000 17596.20   405.1000 195.5625 2.250072  185.2785 2.133727  10.28400       3.100905  
1 1 1 9   1  6  o 250.9921 1.445996  32284.41   371.8993 32161.70  744.8000 32406.80   742.8000 250.4234 2.902461  251.3773 2.883682  -0.9539490     4.091443  
1 1 1 9   1  7  o 154.0876 0.9041847 12166.07   142.7655 11796.30  276.3000 12561.40   295.4000 151.7046 1.777395  156.5446 1.841509  -4.840057      2.559353  
1 1 1 9   1  8  o 132.1339 0.8024423 8946.208   108.6492 9127.800  222.1000 8772.300   212.7000 133.4483 1.624191  130.8250 1.586640  2.623322       2.270556  
1 1 1 9   1  9  o 173.2775 1.006782  15386.11   178.7623 16115.00  377.2000 14729.50   339.8000 177.2835 2.076371  169.4984 1.956408  7.785187       2.852867  
1 1 1 9   1  10 f 74.02396 0.4972666 2807.596   37.71898 2632.400  72.10000 2999.800   79.10000 71.67200 0.9817193 76.50986 1.008929  -4.837860      1.407733  
1 1 1 9   1  11 o 37.26954 0.3381804 711.6851   12.91519 612.5000  23.90000 828.3000   28.10000 34.57373 0.6746109 40.20559 0.6820583 -5.631866      0.9593244 
1 1 1 9   1  12 o 212.1807 1.219798  23074.82   265.2114 22673.00  520.9000 23491.60   540.3000 210.2130 2.418224  213.9683 2.464263  -3.755310      3.452593  
1 1 1 9   1  13 o 74.07774 0.4977418 2811.716   37.78246 3084.100  80.50000 2570.800   71.20000 77.57522 1.012685  70.82661 0.9810365 6.748611       1.409952  
1 1 1 9   1  14 o 99.59982 0.9347957 5083.798   95.40556 4829.400  185.8000 5352.300   196.1000 97.04143 1.868487  102.1597 1.873266  -5.118317      2.645821  
1 1 1 9   1  15 o 126.5466 1.121329  8207.747   145.4059 7897.200  283.6000 8534.500   298.4000 124.0643 2.230802  128.9709 2.257921  -4.906631      3.174064  
1 1 1 9   1  16 o 113.6282 1.037452  6617.272   120.7959 6694.800  237.9000 6537.300   245.4000 114.2401 2.032251  112.8821 2.121538  1.357986       2.937851  
1 1 1 9   1  17 o 98.01538 0.7287501 4923.001   73.19328 4552.700  167.5000 5210.400   130.0000 94.22000 1.734896  100.8190 1.258354  -6.598976      2.143202  
1 1 1 9   1  18 o 124.6905 0.8945428 7968.143   114.2965 7704.200  278.2000 8152.200   194.0000 122.5197 2.215914  126.0903 1.501488  -3.570587      2.676703  
1 1 1 9   1  19 o 112.8029 0.7169080 6520.776   82.86711 6747.100  176.0000 6319.400   156.6000 114.7038 1.497395  111.0165 1.376593  3.687294       2.034011  
1 1 1 9   1  20 o 88.16649 0.5785598 3983.296   52.26973 3997.700  103.5000 3968.600   105.6000 88.30592 1.143805  87.98265 1.171301  0.3232727      1.637143  
1 1 1 9   1  21 o 43.52328 0.3859527 970.6162   17.21290 996.2000  36.10000 947.3000   32.90000 44.08717 0.7990915 42.99248 0.7468013 1.094696       1.093737  
1 1 1 9   1  22 o 114.8709 0.7154415 6762.952   84.21365 6743.200  172.0000 6781.900   165.0000 114.6408 1.464167  114.9763 1.400481  -0.3354568     2.026113  
1 1 1 9   1  23 o 80.14065 0.5643324 3291.463   46.34322 3118.100  87.60000 3486.200   98.40000 77.97298 1.096381  82.44179 1.164795  -4.468803      1.599624  
1 1 1 9   1  24 o 102.5299 0.6534311 5388.438   68.65132 5552.800  145.6000 5241.800   129.9000 104.0040 1.366196  101.0649 1.254326  2.939072       1.854676  
1 1 1 9   1  25 o 65.00227 0.5423889 2165.643   36.12748 2078.800  60.40000 2294.900   89.90000 63.66300 0.9258732 66.85374 1.312308  -3.190739      1.606049  
1 1 1 9   1  26 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 9   2  0  o 115.5422 0.7068576 6840.164   83.68946 6738.600  164.0000 6946.000   170.9000 114.6745 1.395656  116.4254 1.432504  -1.750870      1.999981  
1 1 1 9   2  1  o 302.9011 2.386023  47029.94   740.5830 48334.10  1505.400 45767.10   1457.700 306.8539 4.787645  298.5970 4.764138  8.256836       6.754151  
1 1 1 9   2  2  o 149.5565 0.8941345 11460.64   137.0271 11048.10  258.5000 11926.00   291.6000 146.8264 1.718138  152.5450 1.865483  -5.718552      2.536144  
1 1 1 9   2  3  o 172.6191 1.001025  15268.12   177.0648 14783.60  335.3000 15810.30   375.2000 169.8372 1.926648  175.6306 2.084800  -5.793442      2.838726  
1 1 1 9   2  4  o 344.7588 1.918322  60919.65   677.6963 62970.80  1388.200 58963.20   1324.100 350.3191 3.867140  338.9955 3.811786  11.32364       5.429962  
1 1 1 9   2  5  o 109.9441 0.6755525 6193.469   76.10783 6022.900  144.1000 6384.400   161.3000 108.4122 1.297142  111.6164 1.410289  -3.204201      1.916114  
1 1 1 9   2  6  o 244.7509 1.400193  30698.97   351.1643 30331.20  684.6000 31086.30   721.0000 243.1950 2.747159  246.1940 2.857982  -2.998962      3.964208  
1 1 1 9   2  7  o 272.9999 1.544431  38198.00   432.0455 38581.60  861.3000 37811.90   866.9000 274.2306 3.065068  271.4753 3.116308  2.755341       4.371043  
1 1 1 9   2  8  o 153.9251 0.9046526 12140.73   142.6887 12790.30  295.3000 11533.40   276.1000 157.9570 1.824426  149.9963 1.796335  7.960617       2.560342  
1 1 1 9   2  9  o 176.8832 1.042597  16033.57   188.9736 15664.10  370.5000 16418.20   385.7000 174.7808 2.068693  178.9360 2.103553  -4.155243      2.950327  
1 1 1 9   2  10 o 135.9174 0.8172238 9466.321   113.8189 10267.60  244.7000 8769.500   212.8000 141.5197 1.687403  130.7932 1.587772  10.72649       2.316969  
1 1 1 9   2  11 o 122.1452 0.7498796 7645.041   93.85696 7276.700  180.1000 8045.900   196.0000 119.1434 1.475181  125.2801 1.526777  -6.136681      2.123018  
1 1 1 9   2  12 o 97.52047 0.6203547 4873.061   61.99179 4642.400  117.6000 5130.200   131.1000 95.17175 1.205871  100.0447 1.278822  -4.872955      1.757701  
1 1 1 9   2  13 o 108.4154 0.6775813 6022.861   75.27499 6055.000  150.5000 5990.700   150.6000 108.6847 1.351356  108.1057 1.359496  0.5789261      1.916870  
1 1 1 9   2  14 o 200.4729 1.375625  20601.85   282.5883 21287.00  697.4000 20135.10   475.1000 203.5189 3.344098  198.0911 2.340570  5.427719       4.081820  
1 1 1 9   2  15 f 25.83230 0.4502627 341.9164   11.91866 378.9000  24.40000 306.6000   23.30000 27.17715 0.8773178 24.44175 0.9320125 2.735403       1.279974  
1 1 1 9   2  16 o 53.22658 0.5740390 1451.674   31.30894 1271.700  53.90000 1701.100   74.70000 49.81206 1.055981  57.60696 1.265457  -7.794903      1.648173  
1 1 1 9   2  17 o 126.5658 0.8990824 8209.482   116.6042 8024.100  277.9000 8343.500   200.9000 125.0492 2.168749  127.5624 1.536947  -2.513191      2.658135  
1 1 1 9   2  18 o 89.69071 0.6703435 4122.251   61.60888 4166.900  145.6000 4089.500   106.8000 90.14168 1.576294  89.31884 1.166890  0.8228378      1.961208  
1 1 1 9   2  19 o 101.1548 0.7556474 5243.813   78.32565 5500.000  192.2000 5067.600   132.2000 103.5364 1.811599  99.41704 1.297694  4.119331       2.228430  
1 1 1 9   2  20 o 45.03272 0.3791672 1039.094   17.49675 920.8000  31.80000 1183.800   38.90000 42.38793 0.7321271 48.06064 0.7898811 -5.672707      1.076997  
1 1 1 9   2  21 o 64.29359 0.4642743 2118.157   30.58727 2235.900  63.40000 2008.400   59.10000 66.04365 0.9368280 62.59413 0.9214154 3.449516       1.314022  
1 1 1 9   2  22 o 72.95327 0.5080695 2727.324   37.98099 2726.200  74.30000 2728.500   77.70000 72.91949 0.9943672 72.94790 1.039465  -0.2840424E-01 1.438490  
1 1 1 9   2  23 o 81.62900 0.5259144 3414.794   43.99040 3459.900  89.30000 3371.000   86.70000 82.13525 1.061020  81.07450 1.043606  1.060753       1.488246  
1 1 1 9   2  24 o 71.07106 0.5662109 2588.851   41.23533 2599.200  68.50000 2573.200   103.6000 71.19102 0.9390031 70.78902 1.428221  0.4019928      1.709252  
1 1 1 9   2  25 o 23.55461 0.3906163 284.3199   9.428109 227.0000  15.10000 379.6000   25.10000 21.03038 0.7016816 27.18995 0.9021290 -6.159575      1.142888  
1 1 1 9   3  0  o 166.9319 0.9655370 14278.49   165.1606 14217.30  325.3000 14341.60   335.5000 166.5541 1.906032  167.2792 1.957277  -0.7250519     2.732013  
1 1 1 9   3  1  o 246.3849 1.614897  31109.93   407.7156 32035.60  703.3000 29833.10   970.1000 249.9679 2.745732  241.1362 3.926049  8.831665       4.790918  
1 1 1 9   3  2  o 157.1844 0.9097705 12659.65   146.5344 12770.60  287.0000 12543.90   299.4000 157.8542 1.774301  156.4443 1.867642  1.409897       2.576088  
1 1 1 9   3  3  o 205.8758 1.153951  21718.96   243.4395 21848.50  483.7000 21587.70   490.1000 206.4470 2.286489  205.2090 2.330719  1.238037       3.265009  
1 1 1 9   3  4  o 126.8264 0.7586932 8241.688   98.59937 8551.400  196.7000 7930.400   197.7000 129.1753 1.486027  124.3951 1.550975  4.780144       2.147976  
1 1 1 9   3  5  o 45.81787 0.3504275 1075.586   16.45249 1147.200  30.30000 990.5000   36.00000 47.31779 0.6249133 43.96684 0.7990591 3.350956       1.014402  
1 1 1 9   3  6  o 141.7312 0.8317403 10293.01   120.7957 10028.90  228.4000 10589.50   256.4000 139.8824 1.593435  143.7338 1.740847  -3.851364      2.359997  
1 1 1 9   3  7  o 62.17422 0.4268844 1980.623   27.19688 2080.700  52.70000 1873.900   56.20000 63.72321 0.8070764 60.47279 0.9069387 3.250412       1.214047  
1 1 1 9   3  8  o 77.96422 0.5011550 3114.435   40.03738 3062.100  76.50000 3171.900   84.00000 77.30150 0.9657732 78.67410 1.041955  -1.372597      1.420700  
1 1 1 9   3  9  o 114.9878 0.6966506 6775.115   82.08526 7057.600  166.4000 6500.100   162.0000 117.3427 1.383881  112.6121 1.403885  4.730621       1.971300  
1 1 1 9   3  10 o 194.0678 1.105264  19301.92   219.7950 19550.10  441.7000 19056.10   437.5000 195.2272 2.207948  192.7441 2.215127  2.483047       3.127590  
1 1 1 9   3  11 o 118.2178 0.7138404 7161.260   86.47337 7312.800  172.2000 7008.400   173.7000 119.4402 1.406969  116.9261 1.449740  2.514099       2.020224  
1 1 1 9   3  12 o 129.6514 0.7930406 8613.790   105.3589 8494.600  204.7000 8740.200   217.1000 128.7215 1.551917  130.5652 1.622684  -1.843735      2.245340  
1 1 1 9   3  13 o 37.79454 0.3273565 731.8790   12.67793 624.5000  23.10000 862.5000   28.10000 34.91059 0.6457382 41.02690 0.6684043 -6.116310      0.9293773 
1 1 1 9   3  14 o 164.9322 1.153912  13942.64   195.0189 13521.00  448.6000 14266.90   345.0000 162.2813 2.697692  166.7737 2.018800  -4.492386      3.369436  
1 1 1 9   3  15 o 84.40666 0.6395196 3650.692   55.31322 3396.000  121.7000 3862.900   101.4000 81.38811 1.459255  86.81362 1.139861  -5.425514      1.851677  
1 1 1 9   3  16 o 101.1844 0.8915718 5246.929   92.44174 5161.100  175.2000 5342.800   195.7000 100.3197 1.704314  102.0606 1.871261  -1.740936      2.531068  
1 1 1 9   3  17 o 62.65178 0.6031295 2011.361   38.72062 1865.700  70.10000 2191.100   86.50000 60.33090 1.133913  65.37644 1.291209  -5.045540      1.718424  
1 1 1 9   3  18 o 58.58446 0.4816034 1758.624   28.91148 1942.700  73.40000 1639.000   47.70000 61.56051 1.163578  56.55188 0.8231387 5.008636       1.425297  
1 1 1 9   3  19 o 64.24474 0.5237938 2114.938   34.48230 2008.500  75.60000 2204.200   63.40000 62.59137 1.178715  65.57728 0.9434904 -2.985905      1.509816  
1 1 1 9   3  20 o 52.49443 0.4622210 1412.031   24.86344 1538.500  61.80000 1326.900   41.60000 54.78028 1.100946  50.88165 0.7978730 3.898628       1.359663  
1 1 1 9   3  21 o 124.9103 0.8764618 7997.907   112.1837 7812.800  261.8000 8136.700   196.3000 123.3188 2.071771  125.9279 1.521248  -2.609009      2.570298  
1 1 1 9   3  22 o 83.73479 0.7768291 3594.044   66.65455 3619.300  126.9000 3566.100   140.4000 83.97740 1.474690  83.34090 1.644033  0.6365051      2.208519  
1 1 1 9   3  23 o 22.46432 0.4607677 258.6103   10.60654 294.6000  19.40000 215.2000   23.40000 23.95864 0.7912931 20.45126 1.120885  3.507380       1.372052  
1 1 1 9   3  24 o 20.01290 0.4194157 205.2486   8.601081 205.8000  13.60000 204.3000   23.40000 20.02560 0.6636747 19.91976 1.151298  0.1058407      1.328891  
1 1 1 9   3  25 o 62.40540 0.5176850 1996.070   33.10443 1925.000  52.40000 2118.000   89.90000 61.26597 0.8346677 64.21130 1.366312  -2.945332      1.601087  
1 1 1 9   4  0  o 213.0826 1.424839  23267.74   311.1087 22831.30  510.8000 23947.70   795.8000 211.0364 2.362083  216.0535 3.594548  -5.017044      4.301187  
1 1 1 9   4  1  o 78.83647 0.7036366 3184.536   56.84261 3360.300  107.6000 2987.700   120.5000 80.97764 1.296728  76.35338 1.540141  4.624260       2.013340  
1 1 1 9   4  2  o 292.1171 1.903776  43738.77   569.8639 44989.30  1367.300 42845.10   977.1000 295.9744 4.508284  288.9946 3.299521  6.979828       5.586722  
1 1 1 9   4  3  f 129.6187 0.8970177 8608.912   119.1426 8506.900  264.2000 8692.700   217.0000 128.8221 2.001448  130.2326 1.626079  -1.410538      2.578745  
1 1 1 9   4  4  o 76.09970 0.5690330 2967.249   44.37300 2889.700  92.60000 3038.600   85.20000 75.09277 1.203412  77.00468 1.079752  -1.911911      1.616807  
1 1 1 9   4  5  o 160.9517 1.280361  13276.07   211.1671 13389.30  413.0000 13157.60   432.1000 161.5794 2.494397  160.1665 2.632778  1.412933       3.626781  
1 1 1 9   4  6  o 112.9777 0.9405332 6540.644   108.8843 6615.600  208.0000 6458.300   228.5000 113.6005 1.786836  112.2345 1.986833  1.366005       2.672132  
1 1 1 9   4  7  o 99.11790 0.7213906 5034.043   73.26912 5237.600  167.4000 4875.600   130.3000 101.0813 1.616167  97.53432 1.303733  3.546974       2.076467  
1 1 1 9   4  8  o 143.8325 0.8245725 10601.02   121.5302 11068.20  246.2000 10145.60   240.0000 146.9355 1.635171  140.6767 1.664909  6.258728       2.333604  
1 1 1 9   4  9  o 43.90227 0.3489056 987.5408   15.69615 982.2000  26.50000 995.3000   38.50000 43.78219 0.5906769 44.07118 0.8525260 -0.2889900     1.037159  
1 1 1 9   4  10 o 60.77014 0.4311945 1892.210   26.85109 1673.500  45.90000 2200.500   64.70000 57.14719 0.7838256 65.52777 0.9635638 -8.380581      1.242110  
1 1 1 9   4  11 o 121.1818 0.7346653 7524.979   91.22742 7353.300  169.1000 7726.100   198.1000 119.7700 1.377835  122.7592 1.574825  -2.989128      2.092487  
1 1 1 9   4  12 o 96.56876 0.5979688 4778.426   59.17163 4501.100  105.9000 5129.600   134.1000 93.71340 1.102798  100.0355 1.308206  -6.322128      1.711013  
1 1 1 9   4  13 o 61.54118 0.4197619 1940.537   26.47081 1905.700  50.20000 1979.400   56.00000 60.98215 0.8033459 62.14902 0.8793369 -1.166870      1.191049  
1 1 1 9   4  14 o 105.5537 0.6578534 5709.150   71.15424 5387.300  130.2000 6097.000   156.9000 102.5182 1.239400  109.0549 1.404039  -6.536690      1.872816  
1 1 1 9   4  15 o 70.14339 0.5498599 2521.063   39.52184 2606.200  91.80000 2456.700   69.40000 71.30344 1.256417  69.23500 0.9782175 2.068436       1.592323  
1 1 1 9   4  16 o 45.71853 0.4382792 1070.980   20.53248 995.5000  39.90000 1151.000   42.30000 44.07363 0.8834779 47.39117 0.8710530 -3.317539      1.240672  
1 1 1 9   4  17 o 33.91083 0.4824986 589.2291   16.76613 609.0000  29.70000 563.6000   38.50000 34.47191 0.8408000 33.13898 1.135442  1.332928       1.412860  
1 1 1 9   4  18 o 71.83956 0.5357749 2644.545   39.44068 2627.700  94.10000 2656.700   67.90000 71.58881 1.282762  71.99551 0.9203775 -0.4067001     1.578789  
1 1 1 9   4  19 o 56.79037 0.4701225 1652.594   27.35799 1573.500  59.70000 1719.500   50.50000 55.40232 1.051594  57.92120 0.8508549 -2.518875      1.352702  
1 1 1 9   4  20 o 35.75776 0.4565307 655.1842   16.72779 619.1000  27.80000 709.7000   42.00000 34.75494 0.7806023 37.18806 1.103387  -2.433125      1.351593  
1 1 1 9   4  21 o 79.69061 0.7056032 3254.910   57.61905 3208.100  110.0000 3306.400   121.0000 79.07710 1.357512  80.27016 1.471069  -1.193062      2.001719  
1 1 1 9   4  22 o 22.95797 0.4574738 270.0959   10.76213 235.5000  20.00000 310.4000   23.30000 21.41178 0.9136470 24.58669 0.9264778 -3.174917      1.301196  
1 1 1 9   4  23 o 65.22620 0.6403942 2180.774   42.80237 2143.900  77.70000 2226.000   95.30000 64.63772 1.173104  65.84111 1.412529  -1.203392      1.836141  
1 1 1 9   4  24 o 46.08204 0.5217385 1088.400   24.63672 1011.400  42.30000 1195.800   59.00000 44.40464 0.9296376 48.26532 1.192940  -3.860687      1.512392  
1 1 1 9   5  0  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 9   5  1  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 9   5  2  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 9   5  3  o 192.0609 3.368300  0.000000   0.000000 ?         ?        18934.20   662.9000 ?        ?         192.0609 3.368300  0.000000       3.368300  
1 1 1 9   5  4  o 185.2491 2.202550  0.000000   0.000000 ?         ?        17597.70   418.1000 ?        ?         185.2491 2.202550  0.000000       2.202550  
1 1 1 9   5  5  o 59.74585 0.9506416 0.000000   0.000000 ?         ?        1829.200   58.20000 ?        ?         59.74585 0.9506416 0.000000       0.9506416 
1 1 1 9   5  6  o 85.35401 1.142203  0.000000   0.000000 ?         ?        3733.700   99.90000 ?        ?         85.35401 1.142203  0.000000       1.142203  
1 1 1 9   5  7  o 94.69679 1.167606  0.000000   0.000000 ?         ?        4596.000   113.3000 ?        ?         94.69679 1.167606  0.000000       1.167606  
1 1 1 9   5  8  o 33.20848 0.7317320 0.000000   0.000000 ?         ?        565.1000   24.90000 ?        ?         33.20848 0.7317320 0.000000       0.7317320 
1 1 1 9   5  9  o 44.17557 0.7687740 0.000000   0.000000 ?         ?        1000.000   34.80000 ?        ?         44.17557 0.7687740 0.000000       0.7687740 
1 1 1 9   5  10 o 94.35912 0.7190022 4562.444   69.52044 7096.500  245.4000 3560.800   97.00000 117.6229 2.036030  83.35143 1.135691  34.27151       2.331354  
1 1 1 9   5  11 o 160.5293 1.088021  13207.59   178.9741 12800.80  396.1000 13542.90   326.5000 157.9296 2.447614  162.4926 1.960881  -4.563004      3.136219  
1 1 1 9   5  12 o 94.25871 0.5741328 4552.538   55.45391 4646.700  105.5000 4448.200   116.9000 95.21669 1.081287  93.15619 1.224629  2.060501       1.633676  
1 1 1 9   5  13 o 127.6218 0.7466537 8346.277   97.64331 8057.300  182.5000 8678.800   210.0000 125.3648 1.420656  130.1007 1.575221  -4.735916      2.121222  
1 1 1 9   5  14 o 101.5381 0.6168959 5282.997   64.18586 5277.300  122.2000 5289.300   135.2000 101.4669 1.175300  101.5771 1.298920  -0.1102524     1.751720  
1 1 1 9   5  15 o 114.4215 0.6776023 6708.922   79.44762 6850.200  156.0000 6562.300   161.9000 115.5945 1.317010  113.1351 1.396533  2.459396       1.919588  
1 1 1 9   5  16 o 140.8088 0.9734836 10162.21   140.4613 9828.300  321.9000 10420.70   249.2000 138.3631 2.270399  142.5341 1.706204  -4.170959      2.840043  
1 1 1 9   5  17 o 79.43791 0.5973920 3233.654   48.62791 3067.400  101.8000 3385.700   93.10000 77.34644 1.284426  81.26776 1.117977  -3.921326      1.702828  
1 1 1 9   5  18 o 69.59470 0.5521857 2481.916   39.37855 2571.300  85.50000 2405.600   73.00000 70.81761 1.178220  68.50305 1.039955  2.314560       1.571531  
1 1 1 9   5  19 o 45.21457 0.4829710 1047.576   22.37679 977.2000  36.20000 1161.500   58.60000 43.66394 0.8090723 47.57732 1.202950  -3.913383      1.449720  
1 1 1 9   5  20 o 133.6746 1.110324  9163.146   152.0887 9351.500  297.1000 8965.600   311.6000 134.8801 2.149594  132.0360 2.303068  2.844116       3.150377  
1 1 1 9   5  21 o 97.11407 0.8513379 4835.107   84.71932 4524.100  147.8000 5252.800   198.5000 93.87217 1.536524  101.0926 1.916209  -7.220428      2.456168  
1 1 1 9   5  22 o 114.5058 0.9518569 6724.296   111.6857 6651.000  213.5000 6804.700   234.2000 113.7304 1.831990  115.0004 1.987418  -1.270012      2.702964  
1 1 1 9   5  23 o 34.91733 0.4102676 624.8063   14.67935 552.7000  24.60000 731.5000   36.40000 32.83295 0.7311844 37.76363 0.9406527 -4.930679      1.191410  
1 1 1 9   5  24 o 58.40003 1.112917  0.000000   0.000000 ?         ?        1750.600   66.60000 ?        ?         58.40003 1.112917  0.000000       1.112917  
1 1 1 9   6  0  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 9   6  1  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 9   6  2  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 9   6  3  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 9   6  4  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 9   6  5  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 9   6  6  o 124.9240 2.248259  0.000000   0.000000 ?         ?        8006.300   287.8000 ?        ?         124.9240 2.248259  0.000000       2.248259  
1 1 1 9   6  7  f 16.83140 1.001796  0.000000   0.000000 ?         ?        145.7000   17.20000 ?        ?         16.83140 1.001796  0.000000       1.001796  
1 1 1 9   6  8  o 93.57841 1.229532  0.000000   0.000000 ?         ?        4488.500   117.9000 ?        ?         93.57841 1.229532  0.000000       1.229532  
1 1 1 9   6  9  f 124.1916 1.525228  0.000000   0.000000 ?         ?        7907.600   194.1000 ?        ?         124.1916 1.525228  0.000000       1.525228  
1 1 1 9   6  10 o 83.57667 1.104607  0.000000   0.000000 ?         ?        3580.100   94.60000 ?        ?         83.57667 1.104607  0.000000       1.104607  
1 1 1 9   6  11 o 143.7890 1.759183  0.000000   0.000000 ?         ?        10603.10   259.2000 ?        ?         143.7890 1.759183  0.000000       1.759183  
1 1 1 9   6  12 o 82.50048 1.104821  0.000000   0.000000 ?         ?        3488.600   93.40000 ?        ?         82.50048 1.104821  0.000000       1.104821  
1 1 1 9   6  13 o 88.51302 0.6237713 4014.578   56.57582 3816.200  117.4000 4199.100   109.2000 86.27832 1.327908  90.50905 1.177422  -4.230728      1.774729  
1 1 1 9   6  14 o 32.71427 0.3599716 548.3571   12.06713 414.0000  17.10000 870.5000   41.00000 28.42422 0.5870960 41.21217 0.9708676 -12.78794      1.134577  
1 1 1 9   6  15 o 21.94129 0.3674336 246.6701   8.261128 228.9000  14.50000 270.2000   19.20000 21.12420 0.6707183 22.94689 0.8178506 -1.822697      1.057706  
1 1 1 9   6  16 o 71.14418 0.4575166 2593.519   33.35375 2459.400  56.90000 2783.500   80.60000 69.27326 0.8015826 73.68797 1.067432  -4.414711      1.334895  
1 1 1 9   6  17 f 32.43023 0.2978752 538.8755   9.898804 539.8000  16.10000 537.4000   25.70000 32.45681 0.4840851 32.38149 0.7745295 0.7531738E-01  0.9133643 
1 1 1 9   6  18 o 25.03459 0.3337411 321.1286   8.561473 286.8000  14.60000 369.8000   20.70000 23.64917 0.6029661 26.85055 0.7530919 -3.201376      0.9647359 
1 1 1 9   6  19 o 13.10394 0.4623433 88.10077   6.198462 101.4000  10.20000 67.50000   15.80000 14.04755 0.7109112 11.38699 1.382378  2.660557       1.554465  
1 1 1 9   6  20 o 110.1413 0.7700958 6218.639   86.91470 6167.100  194.7000 6260.200   157.0000 109.5675 1.734146  110.4440 1.387264  -0.8764801     2.220758  
1 1 1 9   6  21 o 75.98711 0.6880798 2959.864   53.57685 2787.100  90.70000 3209.200   130.9000 73.69734 1.201039  79.03114 1.616378  -5.333801      2.013746  
1 1 1 9   6  22 o 12.51053 1.571283  0.000000   0.000000 ?         ?        81.70000   19.70000 ?        ?         12.51053 1.571283  0.000000       1.571283  
1 1 1 9   6  23 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 9   7  0  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 9   7  1  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 9   7  2  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 9   7  3  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 9   7  4  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 9   7  5  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 9   7  6  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 9   7  7  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 9   7  8  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 9   7  9  o 74.24908 1.398467  0.000000   0.000000 ?         ?        2826.300   106.4000 ?        ?         74.24908 1.398467  0.000000       1.398467  
1 1 1 9   7  10 o 29.36222 0.7617548 0.000000   0.000000 ?         ?        442.1000   22.90000 ?        ?         29.36222 0.7617548 0.000000       0.7617548 
1 1 1 9   7  11 o 94.03566 1.222515  0.000000   0.000000 ?         ?        4532.900   117.8000 ?        ?         94.03566 1.222515  0.000000       1.222515  
1 1 1 9   7  12 o 55.14870 0.8883213 0.000000   0.000000 ?         ?        1558.700   50.20000 ?        ?         55.14870 0.8883213 0.000000       0.8883213 
1 1 1 9   7  13 o 126.0883 1.472100  0.000000   0.000000 ?         ?        8152.500   190.2000 ?        ?         126.0883 1.472100  0.000000       1.472100  
1 1 1 9   7  14 o 62.48614 0.9542433 0.000000   0.000000 ?         ?        2001.300   61.10000 ?        ?         62.48614 0.9542433 0.000000       0.9542433 
1 1 1 9   7  15 o 125.7337 1.499537  0.000000   0.000000 ?         ?        8108.800   193.2000 ?        ?         125.7337 1.499537  0.000000       1.499537  
1 1 1 9   7  16 o 87.44656 1.179597  0.000000   0.000000 ?         ?        3921.000   105.7000 ?        ?         87.44656 1.179597  0.000000       1.179597  
1 1 1 9   7  17 o 10.21929 0.5058447 53.64694   5.280612 32.90000  6.900000 121.3000   22.50000 7.965307 0.8589369 15.30772 1.451763  -7.342416      1.686828  
1 1 1 9   7  18 o 26.83063 0.3254589 368.8635   8.947989 371.5000  14.90000 364.9000   22.40000 26.92440 0.5400597 26.66761 0.8206969 0.2567959      0.9824500 
1 1 1 9   7  19 o 41.88576 0.3185740 898.9655   13.67336 862.9000  22.20000 956.8000   35.60000 41.03350 0.5279782 43.20094 0.8041896 -2.167435      0.9620196 
1 1 1 9   7  20 o 23.12222 0.8370559 0.000000   0.000000 ?         ?        274.5000   19.80000 ?        ?         23.12222 0.8370559 0.000000       0.8370559 
1 1 1 9   7  21 o 12.21986 1.272435  0.000000   0.000000 ?         ?        77.50000   15.70000 ?        ?         12.21986 1.272435  0.000000       1.272435  
1 1 1 9   7  22 o 28.20097 1.081678  0.000000   0.000000 ?         ?        408.8000   31.20000 ?        ?         28.20097 1.081678  0.000000       1.081678  
1 1 1 9   8  0  o 75.16596 1.176274  0.000000   0.000000 ?         ?        2895.900   90.60000 ?        ?         75.16596 1.176274  0.000000       1.176274  
1 1 1 9   8  1  o 102.2811 1.282347  0.000000   0.000000 ?         ?        5362.500   134.4000 ?        ?         102.2811 1.282347  0.000000       1.282347  
1 1 1 9   8  2  o 83.50064 1.187423  0.000000   0.000000 ?         ?        3573.800   101.6000 ?        ?         83.50064 1.187423  0.000000       1.187423  
1 1 1 9   8  3  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 9   8  4  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 9   8  5  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 9   8  6  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 9   8  7  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 9   8  8  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 9   8  9  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 9   8  10 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 9   8  11 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 9   8  12 o 105.4949 1.941702  0.000000   0.000000 ?         ?        5711.800   209.9000 ?        ?         105.4949 1.941702  0.000000       1.941702  
1 1 1 9   8  13 o 67.49170 1.000593  0.000000   0.000000 ?         ?        2335.000   69.20000 ?        ?         67.49170 1.000593  0.000000       1.000593  
1 1 1 9   8  14 o 31.17069 0.7895969 0.000000   0.000000 ?         ?        498.3000   25.20000 ?        ?         31.17069 0.7895969 0.000000       0.7895969 
1 1 1 9   8  15 f 69.26052 0.9200874 0.000000   0.000000 ?         ?        2459.100   65.30000 ?        ?         69.26052 0.9200874 0.000000       0.9200874 
1 1 1 9   8  16 o 129.1304 1.590835  0.000000   0.000000 ?         ?        8559.300   210.5000 ?        ?         129.1304 1.590835  0.000000       1.590835  
1 1 1 9   8  17 o 20.60839 0.9257683 0.000000   0.000000 ?         ?        218.2000   19.50000 ?        ?         20.60839 0.9257683 0.000000       0.9257683 
1 1 1 9   8  18 o 84.75663 1.166373  0.000000   0.000000 ?         ?        3685.900   101.3000 ?        ?         84.75663 1.166373  0.000000       1.166373  
1 1 1 9   8  19 o 8.086040 1.892320  0.000000   0.000000 ?         ?        35.00000   15.40000 ?        ?         8.086040 1.892320  0.000000       1.892320  
1 1 1 9   8  20 o 77.22957 1.334387  0.000000   0.000000 ?         ?        3063.800   105.6000 ?        ?         77.22957 1.334387  0.000000       1.334387  
1 1 1 9   8  21 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 9   9  0  f 102.9766 1.345710  0.000000   0.000000 ?         ?        5436.300   142.0000 ?        ?         102.9766 1.345710  0.000000       1.345710  
1 1 1 9   9  1  o 73.50189 0.9904713 0.000000   0.000000 ?         ?        2768.900   74.60000 ?        ?         73.50189 0.9904713 0.000000       0.9904713 
1 1 1 9   9  2  o 63.90023 0.9560343 0.000000   0.000000 ?         ?        2092.700   62.60000 ?        ?         63.90023 0.9560343 0.000000       0.9560343 
1 1 1 9   9  3  o 63.24238 0.9968411 0.000000   0.000000 ?         ?        2049.900   64.60000 ?        ?         63.24238 0.9968411 0.000000       0.9968411 
1 1 1 9   9  4  o 145.8608 1.783036  0.000000   0.000000 ?         ?        10912.60   266.5000 ?        ?         145.8608 1.783036  0.000000       1.783036  
1 1 1 9   9  5  o 33.93086 0.7736757 0.000000   0.000000 ?         ?        590.0000   26.90000 ?        ?         33.93086 0.7736757 0.000000       0.7736757 
1 1 1 9   9  6  o 48.46908 0.8919501 0.000000   0.000000 ?         ?        1204.000   44.30000 ?        ?         48.46908 0.8919501 0.000000       0.8919501 
1 1 1 9   9  7  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 9   9  8  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 9   9  9  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 9   9  10 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 9   9  11 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 9   9  12 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 9   9  13 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 9   9  14 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 9   9  15 o 41.38303 0.6933088 0.000000   0.000000 ?         ?        877.8000   29.40000 ?        ?         41.38303 0.6933088 0.000000       0.6933088 
1 1 1 9   9  16 o 54.86966 0.9195174 0.000000   0.000000 ?         ?        1543.900   51.70000 ?        ?         54.86966 0.9195174 0.000000       0.9195174 
1 1 1 9   9  17 o 67.82403 0.9712294 0.000000   0.000000 ?         ?        2359.600   67.50000 ?        ?         67.82403 0.9712294 0.000000       0.9712294 
1 1 1 9   9  18 o 49.31875 1.054670  0.000000   0.000000 ?         ?        1248.200   53.30000 ?        ?         49.31875 1.054670  0.000000       1.054670  
1 1 1 9   9  19 o 67.04099 1.377058  0.000000   0.000000 ?         ?        2309.800   94.60000 ?        ?         67.04099 1.377058  0.000000       1.377058  
1 1 1 9   10 0  o 106.1344 1.295557  0.000000   0.000000 ?         ?        5775.100   140.9000 ?        ?         106.1344 1.295557  0.000000       1.295557  
1 1 1 9   10 1  o 80.74605 1.076857  0.000000   0.000000 ?         ?        3342.000   89.10000 ?        ?         80.74605 1.076857  0.000000       1.076857  
1 1 1 9   10 2  o 89.50488 1.184090  0.000000   0.000000 ?         ?        4106.800   108.6000 ?        ?         89.50488 1.184090  0.000000       1.184090  
1 1 1 9   10 3  o 91.71564 1.240671  0.000000   0.000000 ?         ?        4312.500   116.6000 ?        ?         91.71564 1.240671  0.000000       1.240671  
1 1 1 9   10 4  o 94.99501 1.231743  0.000000   0.000000 ?         ?        4626.500   119.9000 ?        ?         94.99501 1.231743  0.000000       1.231743  
1 1 1 9   10 5  o 116.9209 1.497379  0.000000   0.000000 ?         ?        7011.200   179.4000 ?        ?         116.9209 1.497379  0.000000       1.497379  
1 1 1 9   10 6  o 141.9075 1.682791  0.000000   0.000000 ?         ?        10331.70   244.7000 ?        ?         141.9075 1.682791  0.000000       1.682791  
1 1 1 9   10 7  f 129.8593 1.624742  0.000000   0.000000 ?         ?        8651.900   216.2000 ?        ?         129.8593 1.624742  0.000000       1.624742  
1 1 1 9   10 8  o 43.69367 0.8062882 0.000000   0.000000 ?         ?        978.5000   36.10000 ?        ?         43.69367 0.8062882 0.000000       0.8062882 
1 1 1 9   10 9  o 64.58566 0.9791304 0.000000   0.000000 ?         ?        2138.400   64.80000 ?        ?         64.58566 0.9791304 0.000000       0.9791304 
1 1 1 9   10 10 f 39.68571 0.8287002 0.000000   0.000000 ?         ?        807.3000   33.70000 ?        ?         39.68571 0.8287002 0.000000       0.8287002 
1 1 1 9   10 11 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 9   10 12 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 9   10 13 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 9   10 14 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 9   10 15 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 9   10 16 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 9   10 17 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 9   11 0  o 71.71793 1.072260  0.000000   0.000000 ?         ?        2636.800   78.80000 ?        ?         71.71793 1.072260  0.000000       1.072260  
1 1 1 9   11 1  o 19.63512 1.042494  0.000000   0.000000 ?         ?        198.2000   20.90000 ?        ?         19.63512 1.042494  0.000000       1.042494  
1 1 1 9   11 2  o 73.20672 0.9638046 0.000000   0.000000 ?         ?        2747.200   72.30000 ?        ?         73.20672 0.9638046 0.000000       0.9638046 
1 1 1 9   11 3  o 47.52961 0.8438771 0.000000   0.000000 ?         ?        1157.900   41.10000 ?        ?         47.52961 0.8438771 0.000000       0.8438771 
1 1 1 9   11 4  o 39.56442 0.7893084 0.000000   0.000000 ?         ?        802.3000   32.00000 ?        ?         39.56442 0.7893084 0.000000       0.7893084 
1 1 1 9   11 5  o 65.66689 0.9585502 0.000000   0.000000 ?         ?        2210.600   64.50000 ?        ?         65.66689 0.9585502 0.000000       0.9585502 
1 1 1 9   11 6  o 46.50367 0.8897752 0.000000   0.000000 ?         ?        1108.600   42.40000 ?        ?         46.50367 0.8897752 0.000000       0.8897752 
1 1 1 9   11 7  o 127.4671 1.513596  0.000000   0.000000 ?         ?        8338.500   197.7000 ?        ?         127.4671 1.513596  0.000000       1.513596  
1 1 1 9   11 8  o 78.67730 1.127499  0.000000   0.000000 ?         ?        3174.700   90.90000 ?        ?         78.67730 1.127499  0.000000       1.127499  
1 1 1 9   11 9  o 29.82501 0.7761374 0.000000   0.000000 ?         ?        456.3000   23.70000 ?        ?         29.82501 0.7761374 0.000000       0.7761374 
1 1 1 9   11 10 o 30.47183 0.7558142 0.000000   0.000000 ?         ?        476.0000   23.60000 ?        ?         30.47183 0.7558142 0.000000       0.7558142 
1 1 1 9   11 11 f 36.73772 0.8022252 0.000000   0.000000 ?         ?        692.0000   30.20000 ?        ?         36.73772 0.8022252 0.000000       0.8022252 
1 1 1 9   11 12 o 55.69731 0.8865800 0.000000   0.000000 ?         ?        1591.000   50.60000 ?        ?         55.69731 0.8865800 0.000000       0.8865800 
1 1 1 9   11 13 o 37.13810 1.099605  0.000000   0.000000 ?         ?        708.5000   41.80000 ?        ?         37.13810 1.099605  0.000000       1.099605  
1 1 1 9   11 14 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 9   11 15 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 9   12 0  o 77.23174 1.043724  0.000000   0.000000 ?         ?        3058.500   82.60000 ?        ?         77.23174 1.043724  0.000000       1.043724  
1 1 1 9   12 1  o 45.79972 0.7692119 0.000000   0.000000 ?         ?        1075.200   36.10000 ?        ?         45.79972 0.7692119 0.000000       0.7692119 
1 1 1 9   12 2  o 80.02595 1.023135  0.000000   0.000000 ?         ?        3283.900   83.90000 ?        ?         80.02595 1.023135  0.000000       1.023135  
1 1 1 9   12 3  o 111.2189 1.349520  0.000000   0.000000 ?         ?        6347.200   153.8000 ?        ?         111.2189 1.349520  0.000000       1.349520  
1 1 1 9   12 4  o 54.76908 0.8677511 0.000000   0.000000 ?         ?        1537.900   48.70000 ?        ?         54.76908 0.8677511 0.000000       0.8677511 
1 1 1 9   12 5  o 81.48618 1.111388  0.000000   0.000000 ?         ?        3406.000   92.80000 ?        ?         81.48618 1.111388  0.000000       1.111388  
1 1 1 9   12 6  o 25.76452 0.8990709 0.000000   0.000000 ?         ?        340.8000   23.70000 ?        ?         25.76452 0.8990709 0.000000       0.8990709 
1 1 1 9   12 7  o 18.00543 1.133102  0.000000   0.000000 ?         ?        167.0000   20.80000 ?        ?         18.00543 1.133102  0.000000       1.133102  
1 1 1 9   12 8  f 82.36885 1.108956  0.000000   0.000000 ?         ?        3481.500   93.60000 ?        ?         82.36885 1.108956  0.000000       1.108956  
1 1 1 9   12 9  o 66.96645 1.346531  0.000000   0.000000 ?         ?        2303.400   92.40000 ?        ?         66.96645 1.346531  0.000000       1.346531  
1 1 1 9   12 10 o 79.40739 1.566935  0.000000   0.000000 ?         ?        3242.800   127.5000 ?        ?         79.40739 1.566935  0.000000       1.566935  
1 1 1 9   12 11 o 36.56513 1.007140  0.000000   0.000000 ?         ?        686.7000   37.70000 ?        ?         36.56513 1.007140  0.000000       1.007140  
1 1 1 9   12 12 f 56.70818 1.431213  0.000000   0.000000 ?         ?        1654.800   83.10000 ?        ?         56.70818 1.431213  0.000000       1.431213  
1 1 1 9   13 0  o 95.15358 1.180461  0.000000   0.000000 ?         ?        4646.600   115.1000 ?        ?         95.15358 1.180461  0.000000       1.180461  
1 1 1 9   13 1  o 91.04134 1.156603  0.000000   0.000000 ?         ?        4253.700   107.9000 ?        ?         91.04134 1.156603  0.000000       1.156603  
1 1 1 9   13 2  o 19.53648 1.113552  0.000000   0.000000 ?         ?        196.5000   22.20000 ?        ?         19.53648 1.113552  0.000000       1.113552  
1 1 1 9   13 3  o 91.36087 1.215580  0.000000   0.000000 ?         ?        4285.200   113.8000 ?        ?         91.36087 1.215580  0.000000       1.215580  
1 1 1 9   13 4  o 42.12093 0.7275006 0.000000   0.000000 ?         ?        909.7000   31.40000 ?        ?         42.12093 0.7275006 0.000000       0.7275006 
1 1 1 9   13 5  o 48.24736 1.171134  0.000000   0.000000 ?         ?        1195.200   57.90000 ?        ?         48.24736 1.171134  0.000000       1.171134  
1 1 1 9   13 6  o 40.69115 1.154745  0.000000   0.000000 ?         ?        850.9000   48.10000 ?        ?         40.69115 1.154745  0.000000       1.154745  
1 1 1 9   13 7  o 58.38670 1.231842  0.000000   0.000000 ?         ?        1751.300   73.70000 ?        ?         58.38670 1.231842  0.000000       1.231842  
1 1 1 9   13 8  o 48.09743 1.166669  0.000000   0.000000 ?         ?        1188.300   57.50000 ?        ?         48.09743 1.166669  0.000000       1.166669  
1 1 1 9   13 9  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 9   14 0  o 19.55855 1.350491  0.000000   0.000000 ?         ?        197.6000   26.90000 ?        ?         19.55855 1.350491  0.000000       1.350491  
1 1 1 9   14 1  o 55.45583 1.172003  0.000000   0.000000 ?         ?        1579.900   66.60000 ?        ?         55.45583 1.172003  0.000000       1.172003  
1 1 1 9   14 2  o 30.28235 1.100752  0.000000   0.000000 ?         ?        471.6000   34.10000 ?        ?         30.28235 1.100752  0.000000       1.100752  
1 1 1 9   14 3  o 89.39714 1.605797  0.000000   0.000000 ?         ?        4116.400   147.1000 ?        ?         89.39714 1.605797  0.000000       1.605797  
1 1 1 9   14 4  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 10  0  0  o 11.60947 1.100034  70.90000   12.80000 70.90000  12.80000 70.90000   12.80000 11.60947 1.100034  11.60947 1.100034  0.000000       0.000000  
1 1 1 10  0  1  o 239.1633 3.845609  29350.90   941.9000 29350.90  941.9000 29350.90   941.9000 239.1633 3.845609  239.1633 3.845609  0.000000       0.000000  
1 1 1 10  0  2  o 13.37062 0.9908271 93.10000   13.40000 93.10000  13.40000 93.10000   13.40000 13.37062 0.9908271 13.37062 0.9908271 0.000000       0.000000  
1 1 1 10  0  3  o 83.90095 1.084462  3608.700   93.20000 3608.700  93.20000 3608.700   93.20000 83.90095 1.084462  83.90095 1.084462  0.000000       0.000000  
1 1 1 10  0  4  f 57.70462 0.8731017 1707.300   51.60000 1707.300  51.60000 1707.300   51.60000 57.70462 0.8731017 57.70462 0.8731017 0.000000       0.000000  
1 1 1 10  0  5  o 7.716829 1.722905  34.70000   11.90000 34.70000  11.90000 34.70000   11.90000 7.716829 1.722905  7.716829 1.722905  0.000000       0.000000  
1 1 1 10  0  6  o 79.01774 1.019281  3200.900   82.50000 3200.900  82.50000 3200.900   82.50000 79.01774 1.019281  79.01774 1.019281  0.000000       0.000000  
1 1 1 10  0  7  o 281.2285 3.181613  40576.40   916.6000 40576.40  916.6000 40576.40   916.6000 281.2285 3.181613  281.2285 3.181613  0.000000       0.000000  
1 1 1 10  0  8  o 189.0773 2.175119  18333.30   421.3000 18333.30  421.3000 18333.30   421.3000 189.0773 2.175119  189.0773 2.175119  0.000000       0.000000  
1 1 1 10  0  9  o 10.57194 1.320216  59.90000   13.70000 59.90000  13.70000 59.90000   13.70000 10.57194 1.320216  10.57194 1.320216  0.000000       0.000000  
1 1 1 10  0  10 o 335.4198 3.773195  57766.20   1296.500 57766.20  1296.500 57766.20   1296.500 335.4198 3.773195  335.4198 3.773195  0.000000       0.000000  
1 1 1 10  0  11 o 252.3183 2.887317  32666.60   746.3000 32666.60  746.3000 32666.60   746.3000 252.3183 2.887317  252.3183 2.887317  0.000000       0.000000  
1 1 1 10  0  12 f 189.8889 2.218280  18494.20   431.5000 18494.20  431.5000 18494.20   431.5000 189.8889 2.218280  189.8889 2.218280  0.000000       0.000000  
1 1 1 10  0  13 o 77.26316 1.048788  3060.700   83.00000 3060.700  83.00000 3060.700   83.00000 77.26316 1.048788  77.26316 1.048788  0.000000       0.000000  
1 1 1 10  0  14 o 100.2460 1.241638  5152.300   127.5000 5152.300  127.5000 5152.300   127.5000 100.2460 1.241638  100.2460 1.241638  0.000000       0.000000  
1 1 1 10  0  15 o 4.359013 2.202541  14.30000   12.20000 14.30000  12.20000 14.30000   12.20000 4.359013 2.202541  4.359013 2.202541  0.000000       0.000000  
1 1 1 10  0  16 o 22.09113 0.7396154 250.9000   16.70000 250.9000  16.70000 250.9000   16.70000 22.09113 0.7396154 22.09113 0.7396154 0.000000       0.000000  
1 1 1 10  0  17 o 120.4176 1.554975  7436.500   191.8000 7436.500  191.8000 7436.500   191.8000 120.4176 1.554975  120.4176 1.554975  0.000000       0.000000  
1 1 1 10  0  18 o 63.90796 1.311435  2096.000   85.80000 2096.000  85.80000 2096.000   85.80000 63.90796 1.311435  63.90796 1.311435  0.000000       0.000000  
1 1 1 10  0  19 f 103.4867 1.847746  5497.100   195.8000 5497.100  195.8000 5497.100   195.8000 103.4867 1.847746  103.4867 1.847746  0.000000       0.000000  
1 1 1 10  0  20 o 98.54427 1.814642  4985.500   183.1000 4985.500  183.1000 4985.500   183.1000 98.54427 1.814642  98.54427 1.814642  0.000000       0.000000  
1 1 1 10  0  21 o 2.628596 1.818376  -13.70000  16.70000 -13.70000 16.70000 -13.70000  16.70000 2.628596 1.818376  2.628596 1.818376  0.000000       0.000000  
1 1 1 10  0  22 o 13.16138 1.512483  92.30000   19.70000 92.30000  19.70000 92.30000   19.70000 13.16138 1.512483  13.16138 1.512483  0.000000       0.000000  
1 1 1 10  0  23 o 27.15925 0.8535034 379.2000   23.70000 379.2000  23.70000 379.2000   23.70000 27.15925 0.8535034 27.15925 0.8535034 0.000000       0.000000  
1 1 1 10  0  24 o 60.06028 1.446390  1854.000   88.90000 1854.000  88.90000 1854.000   88.90000 60.06028 1.446390  60.06028 1.446390  0.000000       0.000000  
1 1 1 10  1  0  o 244.2068 1.387047  30560.89   347.0941 30680.30  687.7000 30439.20   700.8000 244.6160 2.743568  243.6487 2.806930  0.9672546      3.925050  
1 1 1 10  1  1  o 146.3959 1.265015  10982.45   189.7680 10397.40  350.8000 11671.90   413.4000 142.4118 2.403893  150.8770 2.673923  -8.465195      3.595632  
1 1 1 10  1  2  o 166.6171 0.9772472 14225.08   166.8485 14214.10  334.7000 14236.00   332.7000 166.5253 1.961450  166.6540 1.948223  -0.1287384     2.764572  
1 1 1 10  1  3  o 383.2293 2.124680  75289.04   834.3546 75880.90  1677.000 74703.00   1660.500 384.4048 4.257415  381.4113 4.248611  2.993500       6.014672  
1 1 1 10  1  4  o 190.4594 1.107528  18588.59   216.1500 18592.30  427.7000 18584.80   437.0000 190.4314 2.191807  190.3902 2.239951  0.4121399E-01  3.133911  
1 1 1 10  1  5  o 175.7096 1.024055  15820.83   184.3814 15720.30  365.1000 15923.40   372.5000 175.1090 2.034722  176.2350 2.062699  -1.125992      2.897381  
1 1 1 10  1  6  o 261.8337 1.493572  35138.78   400.7283 35323.50  810.2000 34958.00   792.9000 262.3661 3.013604  261.0117 2.964558  1.354309       4.227342  
1 1 1 10  1  7  o 308.0793 1.723180  48657.08   543.9907 48919.00  1101.700 48401.60   1074.600 308.6306 3.483582  307.0081 3.415848  1.622437       4.878869  
1 1 1 10  1  8  o 62.55599 0.4270491 2005.042   27.37443 2050.800  55.00000 1959.700   54.50000 63.26203 0.8484401 61.84084 0.8600482 1.421196       1.208112  
1 1 1 10  1  9  o 190.8945 1.115082  18676.03   218.1215 18696.10  434.5000 18655.80   438.0000 190.9127 2.221041  190.7048 2.241373  0.2079315      3.155436  
1 1 1 10  1  10 o 77.99159 0.5084714 3116.678   40.63616 3104.100  82.80000 3128.800   79.80000 77.82612 1.038261  78.13596 0.9966750 -0.3098450     1.439218  
1 1 1 10  1  11 o 95.40796 0.6038423 4664.219   59.03458 4413.100  111.0000 4949.500   126.1000 92.79198 1.167385  98.26697 1.252302  -5.474991      1.712031  
1 1 1 10  1  12 o 101.1132 0.6366987 5238.809   65.96907 5182.300  130.7000 5296.400   133.2000 100.5499 1.268515  101.6504 1.278783  -1.100525      1.801226  
1 1 1 10  1  13 o 163.1549 0.9655146 13642.19   161.4200 13959.10  327.3000 13333.80   318.5000 164.9729 1.936132  161.2364 1.927738  3.736572       2.732175  
1 1 1 10  1  14 o 96.68864 0.6237411 4790.376   61.79854 4765.000  123.0000 4816.000   124.2000 96.41556 1.244972  96.92995 1.250447  -0.5143967     1.764532  
1 1 1 10  1  15 o 99.82406 0.6303726 5106.148   64.48088 4740.100  121.5000 5520.100   137.4000 96.16234 1.233028  103.7706 1.292153  -7.608292      1.786062  
1 1 1 10  1  16 o 68.36871 0.4638640 2395.055   32.49723 2449.200  65.60000 2341.900   64.40000 69.12951 0.9260661 67.59818 0.9297206 1.531326       1.312242  
1 1 1 10  1  17 o 100.5218 0.6308394 5177.939   64.97966 5440.300  132.3000 4924.700   127.7000 103.0132 1.253339  98.00935 1.271525  5.003876       1.785395  
1 1 1 10  1  18 o 113.7053 1.026606  6627.286   119.6143 6473.900  229.6000 6794.100   249.7000 112.3078 1.995095  115.0386 2.118247  -2.730766      2.909875  
1 1 1 10  1  19 o 61.81840 0.6378322 1958.380   40.40384 2120.200  82.70000 1803.800   79.00000 64.30196 1.255113  59.30850 1.299906  4.993458       1.806949  
1 1 1 10  1  20 o 12.82231 0.6552933 84.47906   8.581394 73.80000  16.40000 96.20000   18.00000 11.91687 1.367788  13.63334 1.304349  -1.716475      1.890018  
1 1 1 10  1  21 o 48.22529 0.5579480 1191.847   27.57192 1071.500  50.80000 1334.700   60.30000 45.71075 1.084543  51.01392 1.153533  -5.303169      1.583311  
1 1 1 10  1  22 f 50.23057 0.6298368 1293.213   32.41862 1427.600  75.00000 1190.900   57.10000 52.71896 1.389552  48.18087 1.156546  4.538090       1.807887  
1 1 1 10  1  23 o 70.61008 0.7129336 2555.996   51.58390 2434.300  98.50000 2689.800   108.3000 68.85062 1.396143  72.36594 1.460481  -3.515312      2.020451  
1 1 1 10  1  24 o 25.96107 0.4255452 345.3993   11.32053 363.4000  23.10000 328.1000   22.20000 26.60568 0.8483884 25.27846 0.8582905 1.327221       1.206825  
1 1 1 10  2  0  o 87.23849 0.5665599 3899.417   50.64684 4031.200  102.1000 3769.700   100.5000 88.69589 1.123373  85.77064 1.143481  2.925255       1.602971  
1 1 1 10  2  1  o 190.1119 1.274082  18521.16   248.2019 18223.30  412.0000 18972.50   624.3000 188.5453 2.132471  192.3214 3.167871  -3.776031      3.818748  
1 1 1 10  2  2  o 238.2955 1.366363  29100.55   333.6417 28660.50  650.1000 29564.50   685.4000 236.4081 2.683610  240.0992 2.785833  -3.691040      3.868156  
1 1 1 10  2  3  o 186.4760 1.074899  17818.97   205.3946 17988.60  408.7000 17647.60   412.9000 187.3185 2.129244  185.5323 2.171836  1.786240       3.041472  
1 1 1 10  2  4  o 97.55635 0.6033176 4876.441   60.31147 4482.300  110.7000 5348.200   132.5000 93.52399 1.155118  102.1569 1.265755  -8.632919      1.713602  
1 1 1 10  2  5  o 100.6514 0.6234891 5190.818   64.30533 5189.000  126.4000 5192.700   130.9000 100.6244 1.225872  100.6594 1.269074  -0.3497314E-01 1.764458  
1 1 1 10  2  6  o 174.9296 1.015360  15681.18   182.0044 14998.90  342.5000 16454.90   388.4000 171.0372 1.954212  179.1355 2.115920  -8.098343      2.880288  
1 1 1 10  2  7  o 57.10255 0.4024442 1670.683   23.54830 1726.100  47.50000 1616.200   46.70000 58.03897 0.7986851 56.16081 0.8114937 1.878159       1.138604  
1 1 1 10  2  8  o 170.0343 0.9913562 14816.34   172.7288 15517.70  359.7000 14168.40   332.3000 173.9498 2.017986  166.2203 1.950958  7.729477       2.806867  
1 1 1 10  2  9  o 158.7851 0.9488407 12920.65   154.3837 12740.20  303.8000 13107.10   313.9000 157.6212 1.880939  159.8721 1.916109  -2.250870      2.685033  
1 1 1 10  2  10 o 170.2420 0.9914676 14852.89   172.9592 14656.20  339.3000 15057.40   352.8000 169.0494 1.958718  171.3432 2.009386  -2.293762      2.806102  
1 1 1 10  2  11 o 92.63038 0.5881266 4396.586   55.82422 4382.300  109.3000 4411.500   114.1000 92.46751 1.153540  92.77370 1.200224  -0.3061829     1.664690  
1 1 1 10  2  12 o 123.4952 0.7475165 7815.128   94.59523 8197.900  195.7000 7457.000   183.1000 126.4531 1.510299  120.6050 1.481578  5.848068       2.115674  
1 1 1 10  2  13 o 55.39399 0.4411548 1572.238   25.04102 1467.900  44.30000 1707.900   57.60000 53.52084 0.8077602 57.72810 0.9737262 -4.207260      1.265156  
1 1 1 10  2  14 o 120.2575 0.7402722 7410.808   91.22252 7536.600  181.5000 7283.700   183.4000 121.2445 1.460885  119.1907 1.501615  2.053810       2.095002  
1 1 1 10  2  15 o 25.73005 0.3214378 339.2064   8.474925 324.5000  16.90000 354.0000   17.00000 25.15620 0.6561667 26.28387 0.6311917 -1.127665      0.9104712 
1 1 1 10  2  16 o 71.59849 0.4798197 2626.709   35.20304 2609.700  66.90000 2645.600   74.30000 71.35850 0.9149178 71.84529 1.009235  -0.4867935     1.362215  
1 1 1 10  2  17 o 23.52416 0.3280298 283.5410   7.907256 319.6000  15.10000 243.9000   16.60000 24.97399 0.5900525 21.80316 0.7440928 3.170830       0.9496505 
1 1 1 10  2  18 o 37.84357 0.3919321 733.8101   15.19852 589.5000  30.70000 875.3000   30.10000 33.90242 0.8844644 41.32787 0.7107635 -7.425442      1.134664  
1 1 1 10  2  19 o 28.20765 0.5356908 407.7290   15.48387 437.2000  32.00000 380.1000   30.00000 29.18267 1.071927  27.20724 1.078200  1.975437       1.520376  
1 1 1 10  2  20 f 77.48692 0.7160042 3077.314   56.85155 2828.800  100.5000 3401.000   130.9000 74.26215 1.320688  81.40800 1.569185  -7.145851      2.050989  
1 1 1 10  2  21 o 75.22868 0.7182656 2900.792   55.36903 2945.400  111.9000 2857.100   109.6000 75.75710 1.441479  74.61359 1.433488  1.143509       2.032917  
1 1 1 10  2  22 o 25.02782 0.4712909 321.0054   12.08678 378.2000  23.40000 259.9000   25.00000 27.14639 0.8422307 22.48289 1.088382  4.663498       1.376201  
1 1 1 10  2  23 o 22.42569 0.4164848 257.7226   9.570693 249.9000  17.00000 267.8000   21.90000 22.06458 0.7529942 22.83084 0.9381019 -0.7662506     1.202928  
1 1 1 10  2  24 o 70.88653 0.7131670 2576.364   51.80281 2459.000  92.90000 2724.300   117.1000 69.19424 1.310230  72.79303 1.569888  -3.598785      2.044811  
1 1 1 10  3  0  o 338.7039 2.215394  58813.22   768.8996 59232.70  1306.800 58213.60   1868.000 339.7150 3.754015  336.4600 5.418075  3.255005       6.591522  
1 1 1 10  3  1  o 161.1832 1.093336  13313.02   180.5808 13974.60  314.6000 12421.60   423.9000 165.1147 1.859408  155.6326 2.658057  9.482056       3.243866  
1 1 1 10  3  2  o 172.9187 0.9917660 15321.92   175.7314 15261.30  341.7000 15386.10   361.8000 172.5424 1.932639  173.2413 2.038069  -0.6988831     2.808704  
1 1 1 10  3  3  o 88.11857 0.5548426 3978.542   50.09975 4336.500  102.5000 3636.300   98.00000 91.99107 1.087376  84.23688 1.135339  7.754189       1.572063  
1 1 1 10  3  4  o 55.00604 0.3869467 1550.245   21.81021 1572.100  39.70000 1523.600   48.40000 55.39082 0.6994463 54.52849 0.8662107 0.8623238      1.113349  
1 1 1 10  3  5  o 199.3292 1.133263  20361.80   231.4729 20479.90  456.1000 20240.10   470.0000 199.8366 2.227341  198.6563 2.308858  1.180344       3.208095  
1 1 1 10  3  6  o 88.86487 0.5624314 4046.295   51.21510 4069.900  97.90000 4020.400   107.4000 89.11585 1.072085  88.56992 1.183367  0.5459290      1.596786  
1 1 1 10  3  7  o 125.8403 0.7547855 8114.568   97.32887 7732.800  180.3000 8562.400   211.5000 122.8233 1.432573  129.2364 1.597082  -6.413139      2.145445  
1 1 1 10  3  8  o 137.9153 0.8075371 9746.825   114.1230 9789.200  229.2000 9704.800   227.3000 138.1811 1.618704  137.5845 1.612247  0.5966187      2.284632  
1 1 1 10  3  9  o 98.23905 0.6116596 4945.136   61.57328 4989.600  122.5000 4900.200   123.8000 98.66592 1.211631  97.77728 1.235618  0.8886414      1.730550  
1 1 1 10  3  10 o 124.8883 0.7706419 7992.464   98.62175 7797.600  188.2000 8207.000   207.2000 123.3297 1.489202  126.5201 1.598202  -3.190491      2.184485  
1 1 1 10  3  11 o 152.4325 0.9049734 11907.55   141.3552 11986.70  279.4000 11826.50   286.1000 152.8880 1.783424  151.8587 1.838569  1.029312       2.561433  
1 1 1 10  3  12 o 202.0951 1.169247  20933.97   242.1366 20877.00  480.7000 20991.80   487.9000 201.7019 2.325765  202.2518 2.354182  -0.5499268     3.309283  
1 1 1 10  3  13 o 77.59760 0.5021615 3085.304   39.92915 3356.000  84.50000 2842.800   75.70000 80.92052 1.019060  74.47739 0.9919117 6.443130       1.422101  
1 1 1 10  3  14 o 82.65707 0.5352957 3500.807   45.33902 3411.900  84.90000 3602.700   97.30000 81.59102 1.015470  83.83797 1.132593  -2.246956      1.521165  
1 1 1 10  3  15 o 80.33137 0.5355862 3306.601   44.08724 3240.200  86.70000 3375.300   89.70000 79.50908 1.064153  81.14928 1.078722  -1.640205      1.515276  
1 1 1 10  3  16 o 138.6664 0.8162814 9854.252   115.9871 9605.000  223.6000 10122.90   241.0000 136.8516 1.594497  140.4855 1.674122  -3.633972      2.311948  
1 1 1 10  3  17 o 90.42834 0.5618795 4190.237   52.06503 4398.600  106.9000 3992.400   101.5000 92.62970 1.126235  88.24922 1.122424  4.380478       1.590044  
1 1 1 10  3  18 o 14.32253 0.5274545 105.2587   7.727885 132.6000  14.10000 72.10000   17.10000 16.06146 0.8598477 11.76795 1.448602  4.293505       1.684573  
1 1 1 10  3  19 o 24.53811 0.3668581 308.5220   9.224390 281.0000  18.60000 335.6000   18.30000 23.40190 0.7767221 25.58002 0.6988096 -2.178123      1.044812  
1 1 1 10  3  20 o 48.34752 0.4405721 1197.782   21.82677 1177.600  50.40000 1213.200   38.50000 47.92352 1.026321  48.65058 0.7722792 -0.7270546     1.284426  
1 1 1 10  3  21 o 110.1454 0.9518818 6220.965   107.4355 6409.200  212.4000 6028.300   217.4000 111.6709 1.856163  108.2825 1.959309  3.388412       2.698932  
1 1 1 10  3  22 o 61.20399 0.5945166 1919.984   37.28568 1932.300  71.60000 1906.600   77.80000 61.36803 1.138603  60.94997 1.245684  0.4180565      1.687645  
1 1 1 10  3  23 o 37.69467 0.4875548 728.2223   18.83223 680.7000  35.20000 782.9000   40.50000 36.41616 0.9440967 39.05090 1.012960  -2.634731      1.384705  
1 1 1 10  4  0  o 62.37838 0.4776705 1993.661   30.53239 1853.900  44.60000 2297.000   96.80000 60.15086 0.7235934 66.94702 1.411061  -6.796158      1.585774  
1 1 1 10  4  1  o 94.33798 0.6646360 4560.078   64.24937 4665.800  105.1000 4393.800   165.3000 95.41986 1.074894  92.58286 1.742384  2.837006       2.047266  
1 1 1 10  4  2  o 193.7942 1.543067  19249.87   306.4247 20047.10  620.8000 18472.80   605.1000 197.6473 3.065226  189.7232 3.112492  7.924057       4.368434  
1 1 1 10  4  3  o 59.21908 0.4667463 1796.840   28.32311 1797.000  60.70000 1796.700   53.10000 59.21738 1.000325  59.21374 0.8751321 0.3639221E-02  1.329100  
1 1 1 10  4  4  o 118.1445 0.8393335 7152.502   101.6123 7478.800  235.9000 6905.600   178.5000 120.7731 1.906160  116.0690 1.500802  4.704071       2.426078  
1 1 1 10  4  5  f 135.1131 0.9108760 9354.996   126.1116 9318.600  290.6000 9382.900   222.8000 134.7957 2.103881  135.2879 1.607156  -0.4921265     2.647502  
1 1 1 10  4  6  o 117.3933 0.8377430 7062.014   100.7749 7314.600  231.1000 6866.700   178.7000 119.4330 1.888327  115.7367 1.506799  3.696350       2.415827  
1 1 1 10  4  7  o 48.23962 0.8658477 0.000000   0.000000 ?         ?        1192.500   42.80000 ?        ?         48.23962 0.8658477 0.000000       0.8658477 
1 1 1 10  4  8  o 207.2534 1.159829  22015.28   246.3168 21253.20  465.6000 22871.30   523.0000 203.5382 2.232382  211.1206 2.417535  -7.582367      3.290593  
1 1 1 10  4  9  o 112.7365 0.6885832 6512.583   79.54617 6471.500  149.5000 6559.300   170.0000 112.3618 1.298447  113.1143 1.466672  -0.7524872     1.958849  
1 1 1 10  4  10 o 113.1343 0.6755571 6558.625   78.31675 6156.700  141.3000 7058.400   175.7000 109.5955 1.258204  117.3378 1.461287  -7.742317      1.928325  
1 1 1 10  4  11 o 94.51141 0.5818727 4576.991   56.35217 4599.800  108.2000 4552.200   117.6000 94.73406 1.114609  94.23930 1.217803  0.4947586      1.650878  
1 1 1 10  4  12 o 148.4791 0.8646674 11297.91   131.5566 10951.00  248.7000 11687.50   279.3000 146.1370 1.660800  150.9596 1.805559  -4.822647      2.453223  
1 1 1 10  4  13 o 25.98306 0.3047995 345.9089   8.115269 353.4000  13.90000 335.4000   19.50000 26.26216 0.5165186 25.57258 0.7449460 0.6895809      0.9064966 
1 1 1 10  4  14 o 23.43445 0.4223662 281.3873   10.14244 474.7000  22.60000 124.0000   18.40000 30.43593 0.7246420 15.50970 1.166297  14.92623       1.373082  
1 1 1 10  4  15 o 95.94951 0.5989355 4717.518   58.88724 4624.500  113.4000 4818.000   122.5000 94.98072 1.165143  96.94444 1.233147  -1.963722      1.696529  
1 1 1 10  4  16 o 124.9075 0.7417270 7995.587   94.93599 8436.700  193.8000 7572.000   186.1000 128.2609 1.474555  121.5088 1.494653  6.752136       2.099595  
1 1 1 10  4  17 o 56.91911 0.3956337 1660.037   23.07543 1625.100  43.00000 1700.500   49.80000 56.31146 0.7452008 57.60080 0.8437280 -1.289337      1.125700  
1 1 1 10  4  18 o 81.48868 0.5189722 3402.756   43.33510 3358.300  81.30000 3453.500   92.80000 80.93839 0.9802518 82.07146 1.103462  -1.133072      1.475982  
1 1 1 10  4  19 o 24.83545 0.3094004 316.0393   7.873927 303.8000  13.30000 333.8000   19.30000 24.34823 0.5330720 25.50913 0.7391309 -1.160904      0.9113069 
1 1 1 10  4  20 o 41.15471 0.4092849 867.8969   17.26011 1018.600  41.80000 761.9000   29.40000 44.57240 0.9151914 38.55356 0.7441911 6.018837       1.179574  
1 1 1 10  4  21 o 71.81525 0.5507291 2643.251   40.52781 2554.500  90.80000 2714.800   73.20000 70.55270 1.255954  72.75580 0.9818498 -2.203094      1.594193  
1 1 1 10  4  22 o 42.93376 0.4111196 944.6218   18.08696 988.2000  41.60000 911.1000   32.00000 43.89414 0.9248865 42.15510 0.7408009 1.739037       1.184990  
1 1 1 10  4  23 o 19.12019 1.071014  0.000000   0.000000 ?         ?        188.2000   20.90000 ?        ?         19.12019 1.071014  0.000000       1.071014  
1 1 1 10  5  0  o 107.7601 0.9047485 5950.481   99.90428 6315.300  193.1000 5559.400   207.0000 110.9924 1.697817  104.1294 1.939985  6.862938       2.578008  
1 1 1 10  5  1  o 66.90530 1.267538  0.000000   0.000000 ?         ?        2294.200   86.90000 ?        ?         66.90530 1.267538  0.000000       1.267538  
1 1 1 10  5  2  o 152.3436 1.820545  0.000000   0.000000 ?         ?        11899.50   284.2000 ?        ?         152.3436 1.820545  0.000000       1.820545  
1 1 1 10  5  3  o 327.9005 3.694633  0.000000   0.000000 ?         ?        55261.20   1241.400 ?        ?         327.9005 3.694633  0.000000       3.694633  
1 1 1 10  5  4  o 88.05151 1.154868  0.000000   0.000000 ?         ?        3973.600   104.2000 ?        ?         88.05151 1.154868  0.000000       1.154868  
1 1 1 10  5  5  o 156.7485 1.926276  0.000000   0.000000 ?         ?        12600.50   309.4000 ?        ?         156.7485 1.926276  0.000000       1.926276  
1 1 1 10  5  6  o 34.03795 0.8636855 0.000000   0.000000 ?         ?        594.1000   30.10000 ?        ?         34.03795 0.8636855 0.000000       0.8636855 
1 1 1 10  5  7  o 177.7379 2.097966  0.000000   0.000000 ?         ?        16204.90   382.1000 ?        ?         177.7379 2.097966  0.000000       2.097966  
1 1 1 10  5  8  o 146.6761 1.783771  0.000000   0.000000 ?         ?        11032.60   268.1000 ?        ?         146.6761 1.783771  0.000000       1.783771  
1 1 1 10  5  9  o 69.55710 0.9470305 0.000000   0.000000 ?         ?        2479.500   67.50000 ?        ?         69.55710 0.9470305 0.000000       0.9470305 
1 1 1 10  5  10 o 87.13714 0.5263006 3890.551   46.99325 3910.000  85.80000 3867.000   103.9000 87.34624 0.9586161 86.85882 1.167356  0.4874191      1.510518  
1 1 1 10  5  11 o 256.5006 1.673933  33738.47   439.9718 33081.80  1006.100 34248.80   781.9000 253.5097 3.873006  258.1942 2.955333  -4.684448      4.871772  
1 1 1 10  5  12 o 112.1366 0.7864941 6443.945   90.37355 6342.500  198.8000 6528.500   165.7000 111.2061 1.744575  112.8433 1.433007  -1.637215      2.257665  
1 1 1 10  5  13 o 84.11876 0.5242171 3625.733   45.18584 3857.900  88.80000 3385.200   92.00000 86.75922 0.9988471 81.26722 1.104776  5.491997       1.489370  
1 1 1 10  5  14 o 121.9918 0.7240071 7626.375   90.50481 7606.200  170.5000 7649.200   192.9000 121.7984 1.366106  122.1301 1.541385  -0.3316727     2.059639  
1 1 1 10  5  15 o 38.95989 0.3137550 777.7193   12.52584 823.9000  22.60000 720.3000   28.10000 40.09809 0.5500299 37.49046 0.7314544 2.607639       0.9151822 
1 1 1 10  5  16 o 75.07620 0.4743502 2888.159   36.49218 2837.800  67.10000 2948.200   80.00000 74.40872 0.8800358 75.83695 1.029463  -1.428230      1.354347  
1 1 1 10  5  17 o 104.5892 0.6288202 5605.854   67.39252 5231.200  121.2000 6075.100   151.8000 101.0052 1.171010  108.8326 1.361176  -7.827431      1.795568  
1 1 1 10  5  18 o 54.24980 0.3667971 1508.010   20.39024 1537.900  38.00000 1473.400   44.00000 54.77879 0.6769752 53.61445 0.8008892 1.164345       1.048675  
1 1 1 10  5  19 o 15.44680 0.5791261 122.4542   9.150405 93.50000  16.40000 159.0000   20.70000 13.44753 1.202842  17.56883 1.156245  -4.121304      1.668452  
1 1 1 10  5  20 o 2.085614 0.9887825 -6.965992  5.664777 7.000000  8.800000 -32.20000  15.90000 4.191379 1.548866  3.039961 1.491531  1.151418       2.150268  
1 1 1 10  5  21 o 12.65080 0.4078359 82.10000   5.280000 111.1000  8.800000 38.60000   13.20000 14.71092 0.5849398 8.533875 1.567223  6.177046       1.672825  
1 1 1 10  5  22 o 47.92648 0.8674325 0.000000   0.000000 ?         ?        1178.100   42.60000 ?        ?         47.92648 0.8674325 0.000000       0.8674325 
1 1 1 10  6  0  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 10  6  1  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 10  6  2  o 238.9975 4.143297  0.000000   0.000000 ?         ?        29396.50   1014.700 ?        ?         238.9975 4.143297  0.000000       4.143297  
1 1 1 10  6  3  o 235.0648 2.687736  0.000000   0.000000 ?         ?        28364.50   647.4000 ?        ?         235.0648 2.687736  0.000000       2.687736  
1 1 1 10  6  4  o 155.0350 1.917352  0.000000   0.000000 ?         ?        12327.10   304.6000 ?        ?         155.0350 1.917352  0.000000       1.917352  
1 1 1 10  6  5  o 74.15570 1.034379  0.000000   0.000000 ?         ?        2818.300   78.60000 ?        ?         74.15570 1.034379  0.000000       1.034379  
1 1 1 10  6  6  o 184.0885 2.186749  0.000000   0.000000 ?         ?        17386.90   412.5000 ?        ?         184.0885 2.186749  0.000000       2.186749  
1 1 1 10  6  7  o 109.6916 1.336282  0.000000   0.000000 ?         ?        6168.000   150.2000 ?        ?         109.6916 1.336282  0.000000       1.336282  
1 1 1 10  6  8  o 192.7370 2.232930  0.000000   0.000000 ?         ?        19061.60   441.0000 ?        ?         192.7370 2.232930  0.000000       2.232930  
1 1 1 10  6  9  o 72.54014 1.010330  0.000000   0.000000 ?         ?        2696.900   75.10000 ?        ?         72.54014 1.010330  0.000000       1.010330  
1 1 1 10  6  10 o 144.7207 1.761343  0.000000   0.000000 ?         ?        10741.70   261.2000 ?        ?         144.7207 1.761343  0.000000       1.761343  
1 1 1 10  6  11 f 44.10604 0.7633483 0.000000   0.000000 ?         ?        996.9000   34.50000 ?        ?         44.10604 0.7633483 0.000000       0.7633483 
1 1 1 10  6  12 o 75.13432 1.048182  0.000000   0.000000 ?         ?        2893.500   80.70000 ?        ?         75.13432 1.048182  0.000000       1.048182  
1 1 1 10  6  13 o 76.46207 1.047849  0.000000   0.000000 ?         ?        2996.800   82.10000 ?        ?         76.46207 1.047849  0.000000       1.047849  
1 1 1 10  6  14 o 73.15277 1.023213  0.000000   0.000000 ?         ?        2743.100   76.70000 ?        ?         73.15277 1.023213  0.000000       1.023213  
1 1 1 10  6  15 o 72.67540 0.5205751 2706.475   38.76763 2647.500  82.80000 2758.400   72.90000 71.86079 1.124449  73.35656 0.9698180 -1.495766      1.484902  
1 1 1 10  6  16 o 95.12898 0.6731896 4637.810   65.62187 4823.700  151.1000 4495.100   116.0000 96.96229 1.520769  93.62543 1.209110  3.336861       1.942855  
1 1 1 10  6  17 o 44.00113 0.3203196 992.0357   14.44261 1065.300  26.60000 905.0000   31.60000 45.59344 0.5693520 42.02019 0.7338895 3.573254       0.9288464 
1 1 1 10  6  18 o 99.10426 0.5945648 5033.637   60.37955 5063.500  113.2000 4999.500   129.4000 99.36103 1.111813  98.71453 1.279248  0.6464996      1.694876  
1 1 1 10  6  19 o 42.38504 0.3317647 920.5406   14.40924 891.8000  23.60000 965.6000   37.00000 41.71393 0.5521188 43.39694 0.8320401 -1.683006      0.9985619 
1 1 1 10  6  20 o 46.31161 0.7312085 0.000000   0.000000 ?         ?        1099.600   34.70000 ?        ?         46.31161 0.7312085 0.000000       0.7312085 
1 1 1 10  6  21 o 50.79157 0.8108163 0.000000   0.000000 ?         ?        1323.000   42.20000 ?        ?         50.79157 0.8108163 0.000000       0.8108163 
1 1 1 10  7  0  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 10  7  1  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 10  7  2  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 10  7  3  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 10  7  4  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 10  7  5  o 74.06399 1.523184  0.000000   0.000000 ?         ?        2812.500   115.6000 ?        ?         74.06399 1.523184  0.000000       1.523184  
1 1 1 10  7  6  f 107.8915 1.369432  0.000000   0.000000 ?         ?        5967.600   151.4000 ?        ?         107.8915 1.369432  0.000000       1.369432  
1 1 1 10  7  7  o 128.0636 1.514167  0.000000   0.000000 ?         ?        8409.000   198.7000 ?        ?         128.0636 1.514167  0.000000       1.514167  
1 1 1 10  7  8  o 130.6165 1.606357  0.000000   0.000000 ?         ?        8748.700   215.0000 ?        ?         130.6165 1.606357  0.000000       1.606357  
1 1 1 10  7  9  o 160.5864 1.942833  0.000000   0.000000 ?         ?        13230.10   319.7000 ?        ?         160.5864 1.942833  0.000000       1.942833  
1 1 1 10  7  10 o 113.7655 1.478865  0.000000   0.000000 ?         ?        6636.600   172.4000 ?        ?         113.7655 1.478865  0.000000       1.478865  
1 1 1 10  7  11 o 137.7327 1.641688  0.000000   0.000000 ?         ?        9730.200   231.7000 ?        ?         137.7327 1.641688  0.000000       1.641688  
1 1 1 10  7  12 o 145.2777 1.772728  0.000000   0.000000 ?         ?        10829.10   263.9000 ?        ?         145.2777 1.772728  0.000000       1.772728  
1 1 1 10  7  13 o 100.5842 1.306891  0.000000   0.000000 ?         ?        5188.000   134.7000 ?        ?         100.5842 1.306891  0.000000       1.306891  
1 1 1 10  7  14 f 81.05129 1.118555  0.000000   0.000000 ?         ?        3368.200   92.90000 ?        ?         81.05129 1.118555  0.000000       1.118555  
1 1 1 10  7  15 o 68.44127 0.9567668 0.000000   0.000000 ?         ?        2401.400   67.10000 ?        ?         68.44127 0.9567668 0.000000       0.9567668 
1 1 1 10  7  16 o 13.24469 1.191635  0.000000   0.000000 ?         ?        90.70000   16.00000 ?        ?         13.24469 1.191635  0.000000       1.191635  
1 1 1 10  7  17 o 40.99331 0.7308480 0.000000   0.000000 ?         ?        861.4000   30.70000 ?        ?         40.99331 0.7308480 0.000000       0.7308480 
1 1 1 10  7  18 o 106.0247 1.348442  0.000000   0.000000 ?         ?        5771.000   146.5000 ?        ?         106.0247 1.348442  0.000000       1.348442  
1 1 1 10  7  19 o 38.09253 0.7583218 0.000000   0.000000 ?         ?        744.0000   29.60000 ?        ?         38.09253 0.7583218 0.000000       0.7583218 
1 1 1 10  7  20 o 38.59624 0.9742370 0.000000   0.000000 ?         ?        764.8000   38.50000 ?        ?         38.59624 0.9742370 0.000000       0.9742370 
1 1 1 10  8  0  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 10  8  1  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 10  8  2  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 10  8  3  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 10  8  4  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 10  8  5  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 10  8  6  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 10  8  7  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 10  8  8  o 48.40875 1.329765  0.000000   0.000000 ?         ?        1202.400   65.90000 ?        ?         48.40875 1.329765  0.000000       1.329765  
1 1 1 10  8  9  o 103.2397 1.293127  0.000000   0.000000 ?         ?        5464.800   136.8000 ?        ?         103.2397 1.293127  0.000000       1.293127  
1 1 1 10  8  10 o 109.7904 1.432855  0.000000   0.000000 ?         ?        6181.900   161.2000 ?        ?         109.7904 1.432855  0.000000       1.432855  
1 1 1 10  8  11 o 92.39834 1.195594  0.000000   0.000000 ?         ?        4377.400   113.2000 ?        ?         92.39834 1.195594  0.000000       1.195594  
1 1 1 10  8  12 o 37.89546 1.049124  0.000000   0.000000 ?         ?        736.8000   40.70000 ?        ?         37.89546 1.049124  0.000000       1.049124  
1 1 1 10  8  13 o 118.4682 1.459699  0.000000   0.000000 ?         ?        7200.700   177.2000 ?        ?         118.4682 1.459699  0.000000       1.459699  
1 1 1 10  8  14 o 42.34939 0.7765767 0.000000   0.000000 ?         ?        919.3000   33.70000 ?        ?         42.34939 0.7765767 0.000000       0.7765767 
1 1 1 10  8  15 o 73.30773 1.006407  0.000000   0.000000 ?         ?        2755.800   75.60000 ?        ?         73.30773 1.006407  0.000000       1.006407  
1 1 1 10  8  16 o 70.02570 1.002012  0.000000   0.000000 ?         ?        2515.000   71.90000 ?        ?         70.02570 1.002012  0.000000       1.002012  
1 1 1 10  8  17 o 4.504850 1.906904  0.000000   0.000000 ?         ?        0.5000000  15.20000 ?        ?         4.504850 1.906904  0.000000       1.906904  
1 1 1 10  8  18 o 23.04949 1.249437  0.000000   0.000000 ?         ?        273.6000   29.40000 ?        ?         23.04949 1.249437  0.000000       1.249437  
1 1 1 10  8  19 o 28.66438 0.9340928 0.000000   0.000000 ?         ?        422.0000   27.40000 ?        ?         28.66438 0.9340928 0.000000       0.9340928 
1 1 1 10  9  0  f 36.48593 0.7703156 0.000000   0.000000 ?         ?        682.2000   28.80000 ?        ?         36.48593 0.7703156 0.000000       0.7703156 
1 1 1 10  9  1  o 66.04504 0.9574948 0.000000   0.000000 ?         ?        2235.600   64.80000 ?        ?         66.04504 0.9574948 0.000000       0.9574948 
1 1 1 10  9  2  o 66.05293 0.9884067 0.000000   0.000000 ?         ?        2236.200   66.90000 ?        ?         66.05293 0.9884067 0.000000       0.9884067 
1 1 1 10  9  3  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 10  9  4  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 10  9  5  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 10  9  6  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 10  9  7  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 10  9  8  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 10  9  9  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 10  9  10 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 10  9  11 o 56.85846 1.228909  0.000000   0.000000 ?         ?        1658.100   71.60000 ?        ?         56.85846 1.228909  0.000000       1.228909  
1 1 1 10  9  12 o 94.05263 1.177678  0.000000   0.000000 ?         ?        4537.100   113.5000 ?        ?         94.05263 1.177678  0.000000       1.177678  
1 1 1 10  9  13 o 50.11789 0.8217151 0.000000   0.000000 ?         ?        1287.700   42.20000 ?        ?         50.11789 0.8217151 0.000000       0.8217151 
1 1 1 10  9  14 o 62.03157 0.9329181 0.000000   0.000000 ?         ?        1973.300   59.30000 ?        ?         62.03157 0.9329181 0.000000       0.9329181 
1 1 1 10  9  15 o 81.82953 1.119843  0.000000   0.000000 ?         ?        3436.000   93.90000 ?        ?         81.82953 1.119843  0.000000       1.119843  
1 1 1 10  9  16 o 65.08080 1.566986  0.000000   0.000000 ?         ?        2177.600   104.5000 ?        ?         65.08080 1.566986  0.000000       1.566986  
1 1 1 10  9  17 o 92.88064 1.697922  0.000000   0.000000 ?         ?        4440.200   161.6000 ?        ?         92.88064 1.697922  0.000000       1.697922  
1 1 1 10  10 0  o 98.79063 1.280239  0.000000   0.000000 ?         ?        5004.000   129.6000 ?        ?         98.79063 1.280239  0.000000       1.280239  
1 1 1 10  10 1  o 108.4854 1.391620  0.000000   0.000000 ?         ?        6035.300   154.7000 ?        ?         108.4854 1.391620  0.000000       1.391620  
1 1 1 10  10 2  o 86.77848 1.143696  0.000000   0.000000 ?         ?        3860.700   101.7000 ?        ?         86.77848 1.143696  0.000000       1.143696  
1 1 1 10  10 3  o 113.5768 1.414301  0.000000   0.000000 ?         ?        6615.900   164.6000 ?        ?         113.5768 1.414301  0.000000       1.414301  
1 1 1 10  10 4  o 81.90433 1.141459  0.000000   0.000000 ?         ?        3439.400   95.80000 ?        ?         81.90433 1.141459  0.000000       1.141459  
1 1 1 10  10 5  o 105.1204 1.464017  0.000000   0.000000 ?         ?        5668.400   157.7000 ?        ?         105.1204 1.464017  0.000000       1.464017  
1 1 1 10  10 6  o 128.1426 1.563497  0.000000   0.000000 ?         ?        8425.300   205.3000 ?        ?         128.1426 1.563497  0.000000       1.563497  
1 1 1 10  10 7  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 10  10 8  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 10  10 9  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 10  10 10 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 10  10 11 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 10  10 12 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 10  10 13 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 10  10 14 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 10  10 15 o 48.16093 1.154999  0.000000   0.000000 ?         ?        1191.000   57.00000 ?        ?         48.16093 1.154999  0.000000       1.154999  
1 1 1 10  11 0  o 70.39497 0.9371447 0.000000   0.000000 ?         ?        2540.300   67.60000 ?        ?         70.39497 0.9371447 0.000000       0.9371447 
1 1 1 10  11 1  o 109.0539 1.341411  0.000000   0.000000 ?         ?        6100.300   149.9000 ?        ?         109.0539 1.341411  0.000000       1.341411  
1 1 1 10  11 2  o 126.3180 1.506506  0.000000   0.000000 ?         ?        8187.700   195.0000 ?        ?         126.3180 1.506506  0.000000       1.506506  
1 1 1 10  11 3  o 74.10219 1.002202  0.000000   0.000000 ?         ?        2815.400   76.10000 ?        ?         74.10219 1.002202  0.000000       1.002202  
1 1 1 10  11 4  o 88.43105 1.121219  0.000000   0.000000 ?         ?        4010.400   101.6000 ?        ?         88.43105 1.121219  0.000000       1.121219  
1 1 1 10  11 5  o 27.09549 0.7426455 0.000000   0.000000 ?         ?        376.6000   20.60000 ?        ?         27.09549 0.7426455 0.000000       0.7426455 
1 1 1 10  11 6  o 39.85241 0.8203361 0.000000   0.000000 ?         ?        814.2000   33.50000 ?        ?         39.85241 0.8203361 0.000000       0.8203361 
1 1 1 10  11 7  o 80.42500 1.129693  0.000000   0.000000 ?         ?        3318.000   93.10000 ?        ?         80.42500 1.129693  0.000000       1.129693  
1 1 1 10  11 8  o 58.32623 0.9018338 0.000000   0.000000 ?         ?        1744.500   53.90000 ?        ?         58.32623 0.9018338 0.000000       0.9018338 
1 1 1 10  11 9  o 30.44737 0.8759234 0.000000   0.000000 ?         ?        475.8000   27.30000 ?        ?         30.44737 0.8759234 0.000000       0.8759234 
1 1 1 10  11 10 o 19.11572 1.398281  0.000000   0.000000 ?         ?        188.7000   27.20000 ?        ?         19.11572 1.398281  0.000000       1.398281  
1 1 1 10  11 11 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 10  11 12 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 10  11 13 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 10  12 0  o 75.68773 0.9992586 0.000000   0.000000 ?         ?        2937.800   77.50000 ?        ?         75.68773 0.9992586 0.000000       0.9992586 
1 1 1 10  12 1  o 85.38363 1.072087  0.000000   0.000000 ?         ?        3739.400   93.80000 ?        ?         85.38363 1.072087  0.000000       1.072087  
1 1 1 10  12 2  o 61.69204 0.8779412 0.000000   0.000000 ?         ?        1951.500   55.50000 ?        ?         61.69204 0.8779412 0.000000       0.8779412 
1 1 1 10  12 3  o 55.08526 0.8149371 0.000000   0.000000 ?         ?        1555.800   46.00000 ?        ?         55.08526 0.8149371 0.000000       0.8149371 
1 1 1 10  12 4  o 39.08202 0.7566015 0.000000   0.000000 ?         ?        783.1000   30.30000 ?        ?         39.08202 0.7566015 0.000000       0.7566015 
1 1 1 10  12 5  o 94.04071 1.191318  0.000000   0.000000 ?         ?        4539.300   114.8000 ?        ?         94.04071 1.191318  0.000000       1.191318  
1 1 1 10  12 6  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 10  12 7  f 64.15662 1.367476  0.000000   0.000000 ?         ?        2114.800   89.90000 ?        ?         64.15662 1.367476  0.000000       1.367476  
1 1 1 10  12 8  o 13.80642 1.795449  0.000000   0.000000 ?         ?        99.80000   24.80000 ?        ?         13.80642 1.795449  0.000000       1.795449  
1 1 1 10  12 9  o 44.12678 1.126607  0.000000   0.000000 ?         ?        1000.500   50.90000 ?        ?         44.12678 1.126607  0.000000       1.126607  
1 1 1 10  12 10 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 10  13 0  o 76.43697 1.488664  0.000000   0.000000 ?         ?        3003.600   116.6000 ?        ?         76.43697 1.488664  0.000000       1.488664  
1 1 1 10  13 1  o 17.94407 1.740402  0.000000   0.000000 ?         ?        167.3000   31.60000 ?        ?         17.94407 1.740402  0.000000       1.740402  
1 1 1 10  13 2  o 55.15523 1.141234  0.000000   0.000000 ?         ?        1562.000   64.50000 ?        ?         55.15523 1.141234  0.000000       1.141234  
1 1 1 10  13 3  o 21.69948 1.160023  0.000000   0.000000 ?         ?        242.5000   25.70000 ?        ?         21.69948 1.160023  0.000000       1.160023  
1 1 1 10  13 4  o 51.90474 1.193901  0.000000   0.000000 ?         ?        1383.900   63.50000 ?        ?         51.90474 1.193901  0.000000       1.193901  
1 1 1 10  13 5  o 47.20428 1.083307  0.000000   0.000000 ?         ?        1144.200   52.40000 ?        ?         47.20428 1.083307  0.000000       1.083307  
1 1 1 10  13 6  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 11  0  0  o 185.1272 2.180432  17572.80   413.5000 17572.80  413.5000 17572.80   413.5000 185.1272 2.180432  185.1272 2.180432  0.000000       0.000000  
1 1 1 11  0  1  o 47.70005 1.036326  1167.500   50.60000 1167.500  50.60000 1167.500   50.60000 47.70005 1.036326  47.70005 1.036326  0.000000       0.000000  
1 1 1 11  0  2  o 69.00197 0.9437327 2441.000   66.70000 2441.000  66.70000 2441.000   66.70000 69.00197 0.9437327 69.00197 0.9437327 0.000000       0.000000  
1 1 1 11  0  3  o 68.30661 0.8832649 2391.900   61.80000 2391.900  61.80000 2391.900   61.80000 68.30661 0.8832649 68.30661 0.8832649 0.000000       0.000000  
1 1 1 11  0  4  o 313.1850 3.523045  50336.50   1130.300 50336.50  1130.300 50336.50   1130.300 313.1850 3.523045  313.1850 3.523045  0.000000       0.000000  
1 1 1 11  0  5  o 132.1462 1.577930  8953.300   213.6000 8953.300  213.6000 8953.300   213.6000 132.1462 1.577930  132.1462 1.577930  0.000000       0.000000  
1 1 1 11  0  6  o 113.3432 1.404787  6586.600   163.1000 6586.600  163.1000 6586.600   163.1000 113.3432 1.404787  113.3432 1.404787  0.000000       0.000000  
1 1 1 11  0  7  o 56.22240 0.8231528 1620.700   47.40000 1620.700  47.40000 1620.700   47.40000 56.22240 0.8231528 56.22240 0.8231528 0.000000       0.000000  
1 1 1 11  0  8  o 210.8766 2.385385  22809.10   515.3000 22809.10  515.3000 22809.10   515.3000 210.8766 2.385385  210.8766 2.385385  0.000000       0.000000  
1 1 1 11  0  9  o 122.9396 1.518263  7749.700   191.2000 7749.700  191.2000 7749.700   191.2000 122.9396 1.518263  122.9396 1.518263  0.000000       0.000000  
1 1 1 11  0  10 o 58.16350 0.8611584 1734.600   51.30000 1734.600  51.30000 1734.600   51.30000 58.16350 0.8611584 58.16350 0.8611584 0.000000       0.000000  
1 1 1 11  0  11 o 197.2663 2.282281  19960.60   461.2000 19960.60  461.2000 19960.60   461.2000 197.2663 2.282281  197.2663 2.282281  0.000000       0.000000  
1 1 1 11  0  12 o 133.0333 1.626137  9075.200   221.6000 9075.200  221.6000 9075.200   221.6000 133.0333 1.626137  133.0333 1.626137  0.000000       0.000000  
1 1 1 11  0  13 o 2.021236 1.480032  -50.20000  19.50000 -50.20000 19.50000 -50.20000  19.50000 2.021236 1.480032  2.021236 1.480032  0.000000       0.000000  
1 1 1 11  0  14 o 102.5904 1.335114  5396.800   140.3000 5396.800  140.3000 5396.800   140.3000 102.5904 1.335114  102.5904 1.335114  0.000000       0.000000  
1 1 1 11  0  15 o 114.2816 1.394945  6697.000   163.3000 6697.000  163.3000 6697.000   163.3000 114.2816 1.394945  114.2816 1.394945  0.000000       0.000000  
1 1 1 11  0  16 o 13.14964 1.196535  90.80000   15.80000 90.80000  15.80000 90.80000   15.80000 13.14964 1.196535  13.14964 1.196535  0.000000       0.000000  
1 1 1 11  0  17 o 121.2541 1.503947  7540.700   186.8000 7540.700  186.8000 7540.700   186.8000 121.2541 1.503947  121.2541 1.503947  0.000000       0.000000  
1 1 1 11  0  18 o 58.02990 0.8463032 1726.800   50.30000 1726.800  50.30000 1726.800   50.30000 58.02990 0.8463032 58.02990 0.8463032 0.000000       0.000000  
1 1 1 11  0  19 o 103.8821 1.266765  5534.700   134.8000 5534.700  134.8000 5534.700   134.8000 103.8821 1.266765  103.8821 1.266765  0.000000       0.000000  
1 1 1 11  0  20 o 113.9768 1.378968  6664.400   161.0000 6664.400  161.0000 6664.400   161.0000 113.9768 1.378968  113.9768 1.378968  0.000000       0.000000  
1 1 1 11  0  21 o 81.37183 1.064188  3396.300   88.70000 3396.300  88.70000 3396.300   88.70000 81.37183 1.064188  81.37183 1.064188  0.000000       0.000000  
1 1 1 11  0  22 o 27.46129 0.6368857 387.1000   17.90000 387.1000  17.90000 387.1000   17.90000 27.46129 0.6368857 27.46129 0.6368857 0.000000       0.000000  
1 1 1 11  0  23 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 11  1  0  o 201.1893 1.376667  20744.45   283.8130 20912.80  485.8000 20507.90   682.6000 201.9491 2.347564  199.9004 3.332378  2.048676       4.076248  
1 1 1 11  1  1  o 273.6375 2.182881  38393.06   612.0742 37156.10  1184.800 39715.00   1266.200 268.8968 4.299927  277.9736 4.445292  -9.076813      6.184658  
1 1 1 11  1  2  o 219.7376 1.262498  24745.59   284.2715 24887.50  562.9000 24600.80   574.3000 220.2779 2.493802  218.9992 2.559163  1.278748       3.573284  
1 1 1 11  1  3  o 135.0964 0.8176155 9352.147   113.1856 9012.200  221.1000 9708.700   231.9000 132.5933 1.627305  137.6209 1.644440  -5.027588      2.313504  
1 1 1 11  1  4  f 159.5002 0.9418846 13036.80   153.9420 13590.10  315.2000 12508.60   300.9000 162.8042 1.889393  156.1925 1.880025  6.611664       2.665389  
1 1 1 11  1  5  f 123.8718 0.7615618 7862.678   96.66650 8063.700  197.0000 7669.000   189.8000 125.4202 1.532853  122.3129 1.514347  3.107246       2.154736  
1 1 1 11  1  6  o 107.5736 0.6632259 5929.613   73.10814 6250.100  149.8000 5624.100   142.8000 110.4250 1.323873  104.7489 1.330395  5.676086       1.876856  
1 1 1 11  1  7  o 130.9188 0.7856061 8782.930   105.3914 9070.700  212.7000 8500.300   208.9000 133.0162 1.560503  128.7648 1.583225  4.251312       2.223010  
1 1 1 11  1  8  o 97.39967 0.6249409 4861.019   62.37275 4941.600  125.5000 4781.400   124.0000 98.18887 1.247335  96.58401 1.252905  1.604866       1.767941  
1 1 1 11  1  9  o 90.02077 0.5910636 4152.359   54.52244 4588.700  117.4000 3774.000   101.8000 94.61813 1.210864  85.80998 1.157742  8.808144       1.675278  
1 1 1 11  1  10 o 27.49100 0.3093738 387.2228   8.715100 368.6000  16.10000 409.2000   19.00000 26.82086 0.5858073 28.25905 0.6561417 -1.438189      0.8795977 
1 1 1 11  1  11 o 64.55388 0.4648317 2135.208   30.74797 2140.400  62.00000 2130.100   61.00000 64.62611 0.9362358 64.47066 0.9233564 0.1554565      1.314962  
1 1 1 11  1  12 o 37.48573 0.3554491 719.9740   13.65343 661.0000  24.40000 794.9000   31.00000 35.91597 0.6629852 39.38522 0.7681218 -3.469246      1.014673  
1 1 1 11  1  13 o 27.10686 0.3644468 376.4831   10.12306 293.5000  17.90000 484.5000   23.30000 23.92103 0.7311136 30.74854 0.7394912 -6.827511      1.039891  
1 1 1 11  1  14 o 89.36684 0.5723197 4092.337   52.40992 4161.600  107.8000 4026.800   102.0000 90.10349 1.167559  88.63378 1.123059  1.469711       1.620017  
1 1 1 11  1  15 o 122.4481 0.7419952 7683.647   93.10037 7575.600  182.0000 7796.800   190.6000 121.5458 1.461278  123.3041 1.508505  -1.758308      2.100220  
1 1 1 11  1  16 o 73.12454 0.5009964 2739.957   37.54016 2693.200  72.20000 2790.600   78.20000 72.48660 0.9720333 73.78362 1.034304  -1.297020      1.419378  
1 1 1 11  1  17 o 18.17994 0.6613610 169.6000   12.30000 169.6000  12.30000 ?          ?        18.17994 0.6613610 ?        ?         0.000000       0.6613610 
1 1 1 11  1  18 o 33.36307 0.3451330 570.3373   11.79915 613.5000  23.80000 527.9000   23.40000 34.59899 0.6712977 32.09406 0.7115294 2.504932       0.9782201 
1 1 1 11  1  19 o 23.46543 0.3135196 282.1346   7.538614 287.3000  14.10000 276.2000   16.20000 23.67718 0.5811535 23.20419 0.6820588 0.4729843      0.8960712 
1 1 1 11  1  20 o 15.31811 0.4829381 120.3656   7.570978 185.9000  19.20000 77.70000   12.50000 19.01414 0.9888284 12.26830 1.003071  6.745837       1.408522  
1 1 1 11  1  21 o 70.01624 0.4744334 2512.315   34.03865 2756.400  72.20000 2294.600   64.40000 73.31027 0.9611120 66.88937 0.9395728 6.420906       1.344073  
1 1 1 11  1  22 o 39.37825 0.3342203 794.5930   13.48614 876.3000  28.50000 721.2000   25.60000 41.34412 0.6727175 37.50747 0.6660761 3.836655       0.9466817 
1 1 1 11  2  0  o 215.4271 1.436620  23785.67   317.1326 23733.60  537.8000 23860.50   772.9000 215.1230 2.439696  215.5868 3.498668  -0.4638519     4.265301  
1 1 1 11  2  1  o 137.8158 0.9664062 9732.787   136.4762 9531.300  223.3000 10049.50   351.0000 136.3625 1.598068  139.9784 2.447078  -3.615860      2.922672  
1 1 1 11  2  2  o 86.86198 0.5671642 3865.932   50.48204 3674.100  93.30000 4092.100   110.0000 84.67278 1.075324  89.35723 1.201336  -4.684448      1.612306  
1 1 1 11  2  3  o 145.8059 0.8564198 10893.91   127.9559 10802.00  250.1000 10990.20   262.0000 145.1584 1.681409  146.4141 1.746304  -1.255737      2.424193  
1 1 1 11  2  4  o 95.40583 0.6050789 4663.946   59.15417 4346.100  108.2000 5047.300   130.5000 92.08784 1.146639  99.23525 1.283353  -7.147415      1.720981  
1 1 1 11  2  5  o 106.4607 0.6679650 5807.550   72.86875 5861.000  144.4000 5753.100   147.1000 106.9330 1.317822  105.9429 1.355010  0.9901428      1.890161  
1 1 1 11  2  6  o 27.40546 0.3246405 384.8167   9.116713 469.7000  18.80000 304.9000   17.70000 30.27655 0.6059728 24.38282 0.7091738 5.893726       0.9328079 
1 1 1 11  2  7  o 96.31235 0.6206716 4753.080   61.25510 4466.600  114.9000 5080.200   131.2000 93.35213 1.201150  99.55531 1.286089  -6.203178      1.759769  
1 1 1 11  2  8  o 84.83913 0.5495051 3688.041   47.77122 3681.500  94.70000 3694.700   96.40000 84.75385 1.090416  84.90522 1.108011  -0.1513672     1.554573  
1 1 1 11  2  9  o 53.77157 0.4132796 1481.475   22.77168 1454.900  45.00000 1508.700   46.10000 53.28336 0.8241808 54.25953 0.8291374 -0.9761658     1.169078  
1 1 1 11  2  10 o 42.37945 0.3494353 920.2253   15.17471 1045.800  32.20000 808.3000   28.70000 45.17624 0.6955805 39.71652 0.7052001 5.459717       0.9905248 
1 1 1 11  2  11 o 112.7437 0.6924459 6513.504   79.99750 6741.600  164.2000 6296.800   156.0000 114.6757 1.397345  110.8291 1.373638  3.846519       1.959452  
1 1 1 11  2  12 o 58.69105 0.4235623 1764.967   25.47344 1679.900  47.60000 1862.900   54.80000 57.25492 0.8113267 60.29165 0.8870029 -3.036724      1.202092  
1 1 1 11  2  13 o 300.8658 1.695269  46422.34   522.6486 46733.70  1047.000 46112.00   1043.600 301.4440 3.389547  299.4283 3.401283  2.015686       4.801849  
1 1 1 11  2  14 o 90.66152 0.5906782 4211.820   54.87471 4312.900  110.0000 4111.200   109.5000 91.72584 1.170315  89.55442 1.193243  2.171417       1.671366  
1 1 1 11  2  15 o 178.2377 1.032080  16283.98   188.4999 16222.60  372.7000 16346.80   381.4000 177.7856 2.045806  178.4587 2.085665  -0.6731110     2.921528  
1 1 1 11  2  16 o 98.98596 0.6093743 5021.010   61.80962 5126.700  125.6000 4918.600   121.7000 99.99591 1.225770  97.94614 1.212565  2.049774       1.724188  
1 1 1 11  2  17 o 58.44696 0.4100645 1750.381   24.55910 1882.200  50.40000 1625.100   47.90000 60.59963 0.8116377 56.30844 0.8301636 4.291191       1.161003  
1 1 1 11  2  18 o 56.57278 0.4242918 1639.962   24.59634 1763.500  49.80000 1519.400   48.60000 58.65536 0.8285587 54.44348 0.8711481 4.211876       1.202251  
1 1 1 11  2  19 o 64.62177 0.4425513 2139.893   29.30494 2096.800  56.40000 2186.500   61.00000 63.95428 0.8606194 65.30563 0.9115506 -1.351353      1.253631  
1 1 1 11  2  20 o 36.44678 0.3381847 680.6674   12.63024 722.4000  24.30000 635.5000   26.30000 37.54228 0.6316656 35.20965 0.7289465 2.332630       0.9645540 
1 1 1 11  2  21 o 37.53580 0.3137119 721.9541   12.06633 632.4000  21.50000 836.5000   27.50000 35.12539 0.5973364 40.39584 0.6643510 -5.270454      0.8934053 
1 1 1 11  2  22 o 46.60123 0.3590949 1112.858   17.14767 1172.900  34.70000 1054.200   33.90000 47.82971 0.7080002 45.34397 0.7295949 2.485741       1.016648  
1 1 1 11  3  0  f 161.7777 1.323683  13413.67   219.4325 13114.40  414.4000 13750.50   466.4000 159.8936 2.529242  163.7051 2.780340  -3.811493      3.758637  
1 1 1 11  3  1  o 197.3515 1.335073  19961.98   269.9877 20271.50  453.5000 19506.60   667.2000 198.8128 2.226048  194.9055 3.340671  3.907333       4.014396  
1 1 1 11  3  2  o 137.9260 0.8056603 9748.122   113.8667 10022.70  225.8000 9468.800   229.7000 139.8277 1.575913  135.9056 1.649397  3.922104       2.281231  
1 1 1 11  3  3  o 121.1626 0.7236745 7522.415   89.84838 7576.100  174.6000 7465.500   185.1000 121.5743 1.401536  120.6798 1.496833  0.8944473      2.050564  
1 1 1 11  3  4  o 139.0259 0.8121302 9904.418   115.6964 10066.80  230.1000 9740.200   232.7000 140.1286 1.602476  137.8343 1.647558  2.294296       2.298342  
1 1 1 11  3  5  o 84.51562 0.5295663 3659.930   45.86229 3449.000  84.50000 3910.300   100.3000 82.03656 1.005196  87.34792 1.120598  -5.311356      1.505377  
1 1 1 11  3  6  o 39.55933 0.3398153 801.8242   13.77495 842.6000  27.50000 760.9000   27.60000 40.55104 0.6618084 38.53473 0.6989699 2.016319       0.9625742 
1 1 1 11  3  7  o 142.2411 0.8550586 10368.20   124.6291 10216.10  236.8000 10537.20   263.1000 141.1572 1.637120  143.3483 1.791142  -2.191086      2.426593  
1 1 1 11  3  8  o 101.3553 0.6210822 5263.901   64.50507 5452.200  133.4000 5087.600   124.9000 103.1349 1.262269  99.62817 1.223438  3.506744       1.757874  
1 1 1 11  3  9  o 124.8489 0.7363372 7987.385   94.20191 8299.800  191.4000 7684.600   185.5000 127.2378 1.468004  122.4309 1.478613  4.806900       2.083586  
1 1 1 11  3  10 o 120.5597 0.7277094 7448.016   89.89975 7517.400  179.5000 7378.400   180.1000 121.0919 1.446608  119.9662 1.465063  1.125702       2.058904  
1 1 1 11  3  11 o 72.47117 0.4773400 2691.098   35.44798 2489.400  64.50000 2937.200   78.70000 69.69609 0.9031355 75.70307 1.014525  -6.006981      1.358276  
1 1 1 11  3  12 o 82.15385 0.5398592 3458.323   45.44717 3612.700  93.20000 3311.400   88.70000 83.95539 1.083350  80.37841 1.076926  3.576981       1.527553  
1 1 1 11  3  13 o 172.7053 0.9879969 15287.29   174.8476 15425.20  351.0000 15150.40   348.4000 173.3924 1.975508  171.8406 1.978582  1.551804       2.795965  
1 1 1 11  3  14 o 36.06258 0.3253119 666.3466   12.02140 620.1000  21.80000 723.2000   26.80000 34.78679 0.6115665 37.56671 0.6961988 -2.779915      0.9266641 
1 1 1 11  3  15 o 37.87673 0.3226017 735.0784   12.52096 807.7000  24.60000 659.8000   25.50000 39.70134 0.6046882 35.88187 0.6935324 3.819473       0.9201277 
1 1 1 11  3  16 o 60.39381 0.4233222 1868.929   26.19762 1960.200  51.90000 1775.900   52.90000 61.84316 0.8189875 58.86266 0.8770362 2.980507       1.199972  
1 1 1 11  3  17 o 79.60641 0.5099021 3247.371   41.59425 3209.100  79.20000 3289.700   87.60000 79.11951 0.9768844 80.10252 1.067234  -0.9830017     1.446821  
1 1 1 11  3  18 o 72.25240 0.4771293 2675.116   35.32537 2712.800  68.10000 2634.500   73.40000 72.74393 0.9135913 71.68230 0.9992768 1.061638       1.353958  
1 1 1 11  3  19 o 76.31341 0.4959137 2984.439   38.77978 3028.000  75.00000 2937.800   80.30000 76.84630 0.9524450 75.68767 1.035362  1.158630       1.406814  
1 1 1 11  3  20 o 51.80033 0.3858787 1374.997   20.48244 1482.700  39.80000 1260.800   42.20000 53.78022 0.7222077 49.58844 0.8304886 4.191784       1.100589  
1 1 1 11  3  21 o 102.0632 0.6177575 5339.699   64.60789 5305.300  126.0000 5375.900   132.6000 101.6643 1.209494  102.3297 1.264572  -0.6653824     1.749862  
1 1 1 11  3  22 o 29.72579 0.3039101 452.7857   9.257142 416.1000  16.20000 501.7000   21.60000 28.49173 0.5548785 31.28214 0.6738434 -2.790409      0.8729004 
1 1 1 11  4  0  o 21.82070 0.3211620 243.9583   7.181103 207.7000  9.600000 351.6000   28.50000 20.13370 0.4653173 26.17139 1.064946  -6.037687      1.162166  
1 1 1 11  4  1  o 123.5997 0.8369299 7828.416   105.9998 7591.600  170.5000 8217.600   280.2000 121.6994 1.367217  126.5766 2.160311  -4.877251      2.556604  
1 1 1 11  4  2  o 134.4969 0.7899820 9269.558   108.8749 9861.700  217.6000 8676.600   217.9000 138.6973 1.531061  130.0917 1.634592  8.605591       2.239652  
1 1 1 11  4  3  o 131.1325 0.7692826 8811.575   103.3700 8664.800  195.7000 8975.900   219.1000 130.0101 1.468979  132.3159 1.615965  -2.305801      2.183860  
1 1 1 11  4  4  o 75.93912 0.4696448 2954.773   36.54546 2862.500  67.00000 3065.500   80.40000 74.73875 0.8748440 77.34087 1.014492  -2.602119      1.339607  
1 1 1 11  4  5  o 12.77096 1.174656  0.000000   0.000000 ?         ?        84.30000   15.20000 ?        ?         12.77096 1.174656  0.000000       1.174656  
1 1 1 11  4  6  o 167.2294 0.9594930 14331.87   164.4193 14284.80  315.8000 14383.00   343.0000 166.8976 1.846561  167.4568 1.998909  -0.5592346     2.721291  
1 1 1 11  4  7  o 80.77459 0.5059710 3343.100   41.87924 3419.800  79.10000 3256.800   89.00000 81.68858 0.9449673 79.71471 1.089565  1.973869       1.442260  
1 1 1 11  4  8  o 80.03651 0.4960979 3282.281   40.68683 3663.700  86.40000 2942.800   76.90000 84.54990 0.9972460 75.77647 0.9903612 8.773430       1.405459  
1 1 1 11  4  9  f 85.57172 0.5329035 3752.027   46.72800 3774.400  88.50000 3727.000   99.00000 85.81706 1.006401  85.27303 1.132987  0.5440292      1.515422  
1 1 1 11  4  10 o 33.78239 0.2929747 584.7373   10.14189 581.4000  17.90000 589.1000   23.40000 33.68489 0.5185845 33.90623 0.6735005 -0.2213440     0.8500193 
1 1 1 11  4  11 o 157.4128 0.9035656 12698.88   145.7465 12460.50  280.4000 12956.90   303.5000 155.8702 1.755564  158.9344 1.863556  -3.064224      2.560243  
1 1 1 11  4  12 o 104.2221 0.6214358 5566.057   66.36736 5473.200  127.6000 5666.700   138.3000 103.3296 1.205112  105.1366 1.283718  -1.807053      1.760747  
1 1 1 11  4  13 o 54.56833 0.3792008 1525.718   21.20354 1576.500  41.10000 1471.600   43.80000 55.46489 0.7231448 53.58662 0.7976629 1.878269       1.076664  
1 1 1 11  4  14 o 36.75169 0.3261960 692.0599   12.28441 748.8000  22.90000 626.4000   26.50000 38.22659 0.5846171 34.96139 0.7397054 3.265202       0.9428368 
1 1 1 11  4  15 o 27.66224 0.5009596 392.1000   14.20000 392.1000  14.20000 ?          ?        27.66224 0.5009596 ?        ?         0.000000       0.5009596 
1 1 1 11  4  16 o 124.0575 0.7424963 7887.757   94.38777 8026.300  185.1000 7743.600   192.6000 125.0866 1.444100  122.8549 1.529909  2.231728       2.103817  
1 1 1 11  4  17 o 61.10167 0.4220493 1913.052   26.42498 2017.000  52.90000 1809.300   52.80000 62.72914 0.8229776 59.41016 0.8673109 3.318981       1.195626  
1 1 1 11  4  18 o 42.76995 0.3268558 937.3106   14.32496 1017.300  28.70000 857.6000   28.60000 44.55235 0.6286558 40.90497 0.6823255 3.647381       0.9277803 
1 1 1 11  4  19 o 16.09352 0.3676551 132.7179   6.063035 143.7000  9.800000 114.9000   15.90000 16.73475 0.5723320 14.93066 1.045864  1.804093       1.192223  
1 1 1 11  4  20 o 43.52217 0.3282501 970.6119   14.63908 1012.000  28.50000 926.9000   30.10000 44.43282 0.6259543 42.52142 0.6908128 1.911396       0.9322237 
1 1 1 11  4  21 o 31.54350 0.3700154 509.8837   11.95992 484.1000  24.80000 533.9000   23.10000 30.71514 0.7886062 32.26993 0.6985790 -1.554792      1.053524  
1 1 1 11  5  0  o 151.8912 1.314260  11825.67   204.5560 12114.90  374.0000 11476.50   451.5000 153.6606 2.375258  149.4991 2.947277  4.161530       3.785273  
1 1 1 11  5  1  o 89.37657 1.281876  0.000000   0.000000 ?         ?        4094.500   117.4000 ?        ?         89.37657 1.281876  0.000000       1.281876  
1 1 1 11  5  2  o 136.2396 1.659680  0.000000   0.000000 ?         ?        9516.800   231.7000 ?        ?         136.2396 1.659680  0.000000       1.659680  
1 1 1 11  5  3  o 119.0191 1.474262  0.000000   0.000000 ?         ?        7262.000   179.8000 ?        ?         119.0191 1.474262  0.000000       1.474262  
1 1 1 11  5  4  o 106.8195 1.347544  0.000000   0.000000 ?         ?        5849.100   147.5000 ?        ?         106.8195 1.347544  0.000000       1.347544  
1 1 1 11  5  5  o 63.68709 0.9852835 0.000000   0.000000 ?         ?        2078.700   64.30000 ?        ?         63.68709 0.9852835 0.000000       0.9852835 
1 1 1 11  5  6  o 36.84931 0.6726760 0.000000   0.000000 ?         ?        695.8000   25.40000 ?        ?         36.84931 0.6726760 0.000000       0.6726760 
1 1 1 11  5  7  o 91.19838 1.182434  0.000000   0.000000 ?         ?        4263.100   110.5000 ?        ?         91.19838 1.182434  0.000000       1.182434  
1 1 1 11  5  8  o 90.08017 1.129944  0.000000   0.000000 ?         ?        4159.100   104.3000 ?        ?         90.08017 1.129944  0.000000       1.129944  
1 1 1 11  5  9  f 121.3612 1.430533  0.000000   0.000000 ?         ?        7551.200   177.9000 ?        ?         121.3612 1.430533  0.000000       1.430533  
1 1 1 11  5  10 o 132.1800 1.613935  0.000000   0.000000 ?         ?        8959.500   218.6000 ?        ?         132.1800 1.613935  0.000000       1.613935  
1 1 1 11  5  11 o 67.22289 0.4880971 2315.479   33.62186 2113.500  66.60000 2521.400   67.90000 64.21480 1.012140  70.13994 0.9447264 -5.925140      1.384535  
1 1 1 11  5  12 o 36.45537 0.3587062 680.9483   13.39981 760.6000  26.70000 600.7000   26.90000 38.52598 0.6763309 34.23678 0.7667628 4.289200       1.022423  
1 1 1 11  5  13 o 128.4078 0.8634832 8450.823   113.6171 8558.800  264.1000 8369.300   199.4000 129.1303 1.995914  127.7411 1.523337  1.389198       2.510822  
1 1 1 11  5  14 o 91.31215 0.5518897 4272.598   51.63916 4174.800  94.40000 4390.700   114.0000 90.24434 1.020831  92.53905 1.202213  -2.294708      1.577153  
1 1 1 11  5  15 o 114.0480 0.6743026 6665.916   78.80270 6352.000  142.3000 7055.500   176.6000 111.2943 1.247767  117.2749 1.469560  -5.980560      1.927830  
1 1 1 11  5  16 o 49.15726 0.3455145 1238.166   17.40413 1277.200  31.90000 1191.300   38.30000 49.92155 0.6235973 48.21010 0.7752867 1.711452       0.9949588 
1 1 1 11  5  17 o 60.26924 0.4094890 1861.308   25.28927 1745.200  43.00000 2027.100   61.40000 58.35100 0.7191539 62.87749 0.9529603 -4.526489      1.193866  
1 1 1 11  5  18 o 43.41733 0.3310312 965.9208   14.72755 986.4000  26.10000 939.4000   33.80000 43.87025 0.5805933 42.80690 0.7705565 1.063343       0.9648036 
1 1 1 11  5  19 o 69.27461 0.5298058 2459.576   37.60877 2565.900  90.80000 2384.400   64.20000 70.70237 1.253296  68.18508 0.9188556 2.517288       1.554042  
1 1 1 11  5  20 o 27.99678 0.7570980 0.000000   0.000000 ?         ?        402.2000   21.70000 ?        ?         27.99678 0.7570980 0.000000       0.7570980 
1 1 1 11  5  21 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 11  6  0  o 69.19021 1.338515  0.000000   0.000000 ?         ?        2454.000   94.90000 ?        ?         69.19021 1.338515  0.000000       1.338515  
1 1 1 11  6  1  o 95.74511 1.254709  0.000000   0.000000 ?         ?        4698.900   123.1000 ?        ?         95.74511 1.254709  0.000000       1.254709  
1 1 1 11  6  2  o 159.2244 1.974162  0.000000   0.000000 ?         ?        13004.10   322.1000 ?        ?         159.2244 1.974162  0.000000       1.974162  
1 1 1 11  6  3  o 131.9469 1.624182  0.000000   0.000000 ?         ?        8927.000   219.6000 ?        ?         131.9469 1.624182  0.000000       1.624182  
1 1 1 11  6  4  o 53.33834 0.7849093 0.000000   0.000000 ?         ?        1457.900   42.90000 ?        ?         53.33834 0.7849093 0.000000       0.7849093 
1 1 1 11  6  5  o 124.3876 1.491443  0.000000   0.000000 ?         ?        7932.700   190.1000 ?        ?         124.3876 1.491443  0.000000       1.491443  
1 1 1 11  6  6  o 135.0212 1.658033  0.000000   0.000000 ?         ?        9348.700   229.4000 ?        ?         135.0212 1.658033  0.000000       1.658033  
1 1 1 11  6  7  o 68.66711 0.9877287 0.000000   0.000000 ?         ?        2416.600   69.50000 ?        ?         68.66711 0.9877287 0.000000       0.9877287 
1 1 1 11  6  8  o 213.4855 2.474408  0.000000   0.000000 ?         ?        23399.90   541.3000 ?        ?         213.4855 2.474408  0.000000       2.474408  
1 1 1 11  6  9  o 50.02391 0.7998486 0.000000   0.000000 ?         ?        1282.400   41.00000 ?        ?         50.02391 0.7998486 0.000000       0.7998486 
1 1 1 11  6  10 o 30.02874 0.7409678 0.000000   0.000000 ?         ?        462.1000   22.80000 ?        ?         30.02874 0.7409678 0.000000       0.7409678 
1 1 1 11  6  11 o 21.18355 0.8911100 0.000000   0.000000 ?         ?        230.4000   19.30000 ?        ?         21.18355 0.8911100 0.000000       0.8911100 
1 1 1 11  6  12 o 21.48183 0.7644208 0.000000   0.000000 ?         ?        236.8000   16.80000 ?        ?         21.48183 0.7644208 0.000000       0.7644208 
1 1 1 11  6  13 o 83.05177 1.149189  0.000000   0.000000 ?         ?        3536.500   97.80000 ?        ?         83.05177 1.149189  0.000000       1.149189  
1 1 1 11  6  14 o 69.85532 0.9681337 0.000000   0.000000 ?         ?        2501.600   69.30000 ?        ?         69.85532 0.9681337 0.000000       0.9681337 
1 1 1 11  6  15 o 33.27766 0.7390084 0.000000   0.000000 ?         ?        567.6000   25.20000 ?        ?         33.27766 0.7390084 0.000000       0.7390084 
1 1 1 11  6  16 o 85.26193 1.104521  0.000000   0.000000 ?         ?        3728.400   96.50000 ?        ?         85.26193 1.104521  0.000000       1.104521  
1 1 1 11  6  17 f 32.14292 0.3408933 529.4078   11.22799 518.1000  18.70000 546.4000   28.10000 31.79433 0.5739759 32.63403 0.8410063 -0.8397064     1.018204  
1 1 1 11  6  18 o 37.85406 0.7012261 0.000000   0.000000 ?         ?        734.6000   27.20000 ?        ?         37.85406 0.7012261 0.000000       0.7012261 
1 1 1 11  6  19 f 7.818324 1.764546  0.000000   0.000000 ?         ?        32.70000   13.80000 ?        ?         7.818324 1.764546  0.000000       1.764546  
1 1 1 11  6  20 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 11  7  0  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 11  7  1  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 11  7  2  o 116.6155 1.447743  0.000000   0.000000 ?         ?        6972.200   173.0000 ?        ?         116.6155 1.447743  0.000000       1.447743  
1 1 1 11  7  3  o 148.4877 1.783039  0.000000   0.000000 ?         ?        11308.30   271.3000 ?        ?         148.4877 1.783039  0.000000       1.783039  
1 1 1 11  7  4  o 117.6197 1.517523  0.000000   0.000000 ?         ?        7093.500   182.9000 ?        ?         117.6197 1.517523  0.000000       1.517523  
1 1 1 11  7  5  o 72.56046 1.016772  0.000000   0.000000 ?         ?        2698.500   75.60000 ?        ?         72.56046 1.016772  0.000000       1.016772  
1 1 1 11  7  6  o 99.23330 1.304030  0.000000   0.000000 ?         ?        5048.300   132.6000 ?        ?         99.23330 1.304030  0.000000       1.304030  
1 1 1 11  7  7  o 132.9246 1.621046  0.000000   0.000000 ?         ?        9061.600   220.8000 ?        ?         132.9246 1.621046  0.000000       1.621046  
1 1 1 11  7  8  o 147.8272 1.799588  0.000000   0.000000 ?         ?        11210.90   272.6000 ?        ?         147.8272 1.799588  0.000000       1.799588  
1 1 1 11  7  9  o 68.99686 1.019783  0.000000   0.000000 ?         ?        2440.200   72.10000 ?        ?         68.99686 1.019783  0.000000       1.019783  
1 1 1 11  7  10 o 117.3714 1.425947  0.000000   0.000000 ?         ?        7065.100   171.5000 ?        ?         117.3714 1.425947  0.000000       1.425947  
1 1 1 11  7  11 o 96.09883 1.177990  0.000000   0.000000 ?         ?        4735.000   116.0000 ?        ?         96.09883 1.177990  0.000000       1.177990  
1 1 1 11  7  12 o 95.68795 1.254439  0.000000   0.000000 ?         ?        4695.600   123.0000 ?        ?         95.68795 1.254439  0.000000       1.254439  
1 1 1 11  7  13 o 61.74978 0.9071479 0.000000   0.000000 ?         ?        1954.700   57.40000 ?        ?         61.74978 0.9071479 0.000000       0.9071479 
1 1 1 11  7  14 o 54.42112 0.8679197 0.000000   0.000000 ?         ?        1518.300   48.40000 ?        ?         54.42112 0.8679197 0.000000       0.8679197 
1 1 1 11  7  15 f 76.74434 1.056711  0.000000   0.000000 ?         ?        3020.700   83.10000 ?        ?         76.74434 1.056711  0.000000       1.056711  
1 1 1 11  7  16 o 67.82785 0.9136235 0.000000   0.000000 ?         ?        2359.300   63.50000 ?        ?         67.82785 0.9136235 0.000000       0.9136235 
1 1 1 11  7  17 o 54.99644 0.8180275 0.000000   0.000000 ?         ?        1551.000   46.10000 ?        ?         54.99644 0.8180275 0.000000       0.8180275 
1 1 1 11  7  18 o 74.55105 0.9804596 0.000000   0.000000 ?         ?        2851.600   74.90000 ?        ?         74.55105 0.9804596 0.000000       0.9804596 
1 1 1 11  8  0  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 11  8  1  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 11  8  2  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 11  8  3  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 11  8  4  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 11  8  5  o 85.16373 1.702808  0.000000   0.000000 ?         ?        3720.400   148.6000 ?        ?         85.16373 1.702808  0.000000       1.702808  
1 1 1 11  8  6  o 60.70127 0.9003096 0.000000   0.000000 ?         ?        1888.500   56.00000 ?        ?         60.70127 0.9003096 0.000000       0.9003096 
1 1 1 11  8  7  o 118.4600 1.424377  0.000000   0.000000 ?         ?        7196.600   172.9000 ?        ?         118.4600 1.424377  0.000000       1.424377  
1 1 1 11  8  8  o 132.9700 1.589668  0.000000   0.000000 ?         ?        9070.500   216.6000 ?        ?         132.9700 1.589668  0.000000       1.589668  
1 1 1 11  8  9  o 88.35593 1.148681  0.000000   0.000000 ?         ?        4002.700   104.0000 ?        ?         88.35593 1.148681  0.000000       1.148681  
1 1 1 11  8  10 o 45.00660 0.7740940 0.000000   0.000000 ?         ?        1038.200   35.70000 ?        ?         45.00660 0.7740940 0.000000       0.7740940 
1 1 1 11  8  11 o 114.8663 1.393327  0.000000   0.000000 ?         ?        6769.100   164.0000 ?        ?         114.8663 1.393327  0.000000       1.393327  
1 1 1 11  8  12 o 30.72012 0.6925245 0.000000   0.000000 ?         ?        483.7000   21.80000 ?        ?         30.72012 0.6925245 0.000000       0.6925245 
1 1 1 11  8  13 o 31.60461 0.7163730 0.000000   0.000000 ?         ?        512.0000   23.20000 ?        ?         31.60461 0.7163730 0.000000       0.7163730 
1 1 1 11  8  14 o 94.83406 1.224572  0.000000   0.000000 ?         ?        4615.200   119.0000 ?        ?         94.83406 1.224572  0.000000       1.224572  
1 1 1 11  8  15 o 65.24146 0.9049684 0.000000   0.000000 ?         ?        2183.000   60.50000 ?        ?         65.24146 0.9049684 0.000000       0.9049684 
1 1 1 11  8  16 o 43.94317 1.014907  0.000000   0.000000 ?         ?        990.8000   45.70000 ?        ?         43.94317 1.014907  0.000000       1.014907  
1 1 1 11  8  17 o 34.37416 0.9092873 0.000000   0.000000 ?         ?        606.6000   32.00000 ?        ?         34.37416 0.9092873 0.000000       0.9092873 
1 1 1 11  9  0  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 11  9  1  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 11  9  2  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 11  9  3  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 11  9  4  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 11  9  5  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 11  9  6  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 11  9  7  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 11  9  8  o 16.46887 1.596221  0.000000   0.000000 ?         ?        140.5000   26.60000 ?        ?         16.46887 1.596221  0.000000       1.596221  
1 1 1 11  9  9  o 86.18810 1.120958  0.000000   0.000000 ?         ?        3809.500   99.00000 ?        ?         86.18810 1.120958  0.000000       1.120958  
1 1 1 11  9  10 o 45.31875 0.8527445 0.000000   0.000000 ?         ?        1052.900   39.60000 ?        ?         45.31875 0.8527445 0.000000       0.8527445 
1 1 1 11  9  11 o 76.54404 1.014853  0.000000   0.000000 ?         ?        3004.800   79.60000 ?        ?         76.54404 1.014853  0.000000       1.014853  
1 1 1 11  9  12 o 96.71423 1.176548  0.000000   0.000000 ?         ?        4799.700   116.6000 ?        ?         96.71423 1.176548  0.000000       1.176548  
1 1 1 11  9  13 o 64.85976 1.005085  0.000000   0.000000 ?         ?        2158.100   66.80000 ?        ?         64.85976 1.005085  0.000000       1.005085  
1 1 1 11  9  14 o 43.31158 1.098189  0.000000   0.000000 ?         ?        963.4000   48.70000 ?        ?         43.31158 1.098189  0.000000       1.098189  
1 1 1 11  9  15 o 19.07436 1.161782  0.000000   0.000000 ?         ?        187.5000   22.60000 ?        ?         19.07436 1.161782  0.000000       1.161782  
1 1 1 11  10 0  o 90.59305 1.272204  0.000000   0.000000 ?         ?        4208.700   118.1000 ?        ?         90.59305 1.272204  0.000000       1.272204  
1 1 1 11  10 1  o 79.01648 1.163416  0.000000   0.000000 ?         ?        3201.400   94.20000 ?        ?         79.01648 1.163416  0.000000       1.163416  
1 1 1 11  10 2  o 80.16621 1.033518  0.000000   0.000000 ?         ?        3294.800   84.90000 ?        ?         80.16621 1.033518  0.000000       1.033518  
1 1 1 11  10 3  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 11  10 4  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 11  10 5  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 11  10 6  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 11  10 7  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 11  10 8  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 11  10 9  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 11  10 10 o 73.78072 1.523741  0.000000   0.000000 ?         ?        2797.000   115.2000 ?        ?         73.78072 1.523741  0.000000       1.523741  
1 1 1 11  10 11 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 11  10 12 o 90.56424 1.532302  0.000000   0.000000 ?         ?        4217.400   142.2000 ?        ?         90.56424 1.532302  0.000000       1.532302  
1 1 1 11  10 13 o 35.75574 0.8897610 0.000000   0.000000 ?         ?        655.9000   32.60000 ?        ?         35.75574 0.8897610 0.000000       0.8897610 
1 1 1 11  11 0  o 36.82791 0.7366638 0.000000   0.000000 ?         ?        695.2000   27.80000 ?        ?         36.82791 0.7366638 0.000000       0.7366638 
1 1 1 11  11 1  o 128.5491 1.579809  0.000000   0.000000 ?         ?        8484.100   208.1000 ?        ?         128.5491 1.579809  0.000000       1.579809  
1 1 1 11  11 2  o 78.56569 1.070720  0.000000   0.000000 ?         ?        3165.700   86.20000 ?        ?         78.56569 1.070720  0.000000       1.070720  
1 1 1 11  11 3  o 62.91435 0.9198280 0.000000   0.000000 ?         ?        2029.600   59.30000 ?        ?         62.91435 0.9198280 0.000000       0.9198280 
1 1 1 11  11 4  o 35.14536 0.7358333 0.000000   0.000000 ?         ?        633.2000   26.50000 ?        ?         35.14536 0.7358333 0.000000       0.7358333 
1 1 1 11  11 5  o 21.68424 0.8703581 0.000000   0.000000 ?         ?        241.5000   19.30000 ?        ?         21.68424 0.8703581 0.000000       0.8703581 
1 1 1 11  11 6  o 48.72898 0.8291147 0.000000   0.000000 ?         ?        1217.600   41.40000 ?        ?         48.72898 0.8291147 0.000000       0.8291147 
1 1 1 11  11 7  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 11  11 8  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 11  11 9  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 11  11 10 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 11  11 11 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 11  12 0  o 33.06451 0.8418559 0.000000   0.000000 ?         ?        561.0000   28.50000 ?        ?         33.06451 0.8418559 0.000000       0.8418559 
1 1 1 11  12 1  o 2.722910 1.370101  0.000000   0.000000 ?         ?        -53.70000  17.30000 ?        ?         2.722910 1.370101  0.000000       1.370101  
1 1 1 11  12 2  f 25.60255 1.134894  0.000000   0.000000 ?         ?        337.1000   29.70000 ?        ?         25.60255 1.134894  0.000000       1.134894  
1 1 1 11  12 3  o 28.80515 1.062234  0.000000   0.000000 ?         ?        426.4000   31.30000 ?        ?         28.80515 1.062234  0.000000       1.062234  
1 1 1 11  12 4  o 67.64079 1.323008  0.000000   0.000000 ?         ?        2350.600   91.70000 ?        ?         67.64079 1.323008  0.000000       1.323008  
1 1 1 11  12 5  o 39.83185 0.9065105 0.000000   0.000000 ?         ?        814.0000   37.00000 ?        ?         39.83185 0.9065105 0.000000       0.9065105 
1 1 1 11  12 6  o 68.18802 1.366775  0.000000   0.000000 ?         ?        2390.100   95.50000 ?        ?         68.18802 1.366775  0.000000       1.366775  
1 1 1 11  12 7  o 61.06370 1.260943  0.000000   0.000000 ?         ?        1916.100   78.90000 ?        ?         61.06370 1.260943  0.000000       1.260943  
1 1 1 11  13 0  o 30.07838 1.062620  0.000000   0.000000 ?         ?        465.1000   32.70000 ?        ?         30.07838 1.062620  0.000000       1.062620  
1 1 1 11  13 1  o 38.60660 1.014521  0.000000   0.000000 ?         ?        765.7000   40.10000 ?        ?         38.60660 1.014521  0.000000       1.014521  
1 1 1 11  13 2  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 12  0  0  o 45.82813 1.085270  1078.000   50.90000 1078.000  50.90000 1078.000   50.90000 45.82813 1.085270  45.82813 1.085270  0.000000       0.000000  
1 1 1 12  0  1  o 112.4659 1.381884  6484.900   159.2000 6484.900  159.2000 6484.900   159.2000 112.4659 1.381884  112.4659 1.381884  0.000000       0.000000  
1 1 1 12  0  2  o 109.7527 1.368917  6175.900   153.9000 6175.900  153.9000 6175.900   153.9000 109.7527 1.368917  109.7527 1.368917  0.000000       0.000000  
1 1 1 12  0  3  o 18.12604 0.7458584 169.2000   13.80000 169.2000  13.80000 169.2000   13.80000 18.12604 0.7458584 18.12604 0.7458584 0.000000       0.000000  
1 1 1 12  0  4  o 61.78986 0.8358324 1957.400   52.90000 1957.400  52.90000 1957.400   52.90000 61.78986 0.8358324 61.78986 0.8358324 0.000000       0.000000  
1 1 1 12  0  5  o 2.310065 1.578245  -7.400000  11.70000 -7.400000 11.70000 -7.400000  11.70000 2.310065 1.578245  2.310065 1.578245  0.000000       0.000000  
1 1 1 12  0  6  o 102.1131 1.288741  5346.100   134.8000 5346.100  134.8000 5346.100   134.8000 102.1131 1.288741  102.1131 1.288741  0.000000       0.000000  
1 1 1 12  0  7  o 112.1464 1.425026  6448.700   163.7000 6448.700  163.7000 6448.700   163.7000 112.1464 1.425026  112.1464 1.425026  0.000000       0.000000  
1 1 1 12  0  8  o 53.96384 0.8214507 1493.200   45.40000 1493.200  45.40000 1493.200   45.40000 53.96384 0.8214507 53.96384 0.8214507 0.000000       0.000000  
1 1 1 12  0  9  o 226.6707 2.564131  26360.40   595.4000 26360.40  595.4000 26360.40   595.4000 226.6707 2.564131  226.6707 2.564131  0.000000       0.000000  
1 1 1 12  0  10 o 115.8397 1.454585  6880.700   172.6000 6880.700  172.6000 6880.700   172.6000 115.8397 1.454585  115.8397 1.454585  0.000000       0.000000  
1 1 1 12  0  11 o 24.94151 0.7843019 319.7000   20.00000 319.7000  20.00000 319.7000   20.00000 24.94151 0.7843019 24.94151 0.7843019 0.000000       0.000000  
1 1 1 12  0  12 o 164.8186 1.926103  13933.20   325.2000 13933.20  325.2000 13933.20   325.2000 164.8186 1.926103  164.8186 1.926103  0.000000       0.000000  
1 1 1 12  0  13 o 121.8391 1.510346  7612.800   188.5000 7612.800  188.5000 7612.800   188.5000 121.8391 1.510346  121.8391 1.510346  0.000000       0.000000  
1 1 1 12  0  14 o 29.29427 0.6169152 440.3000   18.50000 440.3000  18.50000 440.3000   18.50000 29.29427 0.6169152 29.29427 0.6169152 0.000000       0.000000  
1 1 1 12  0  15 o 88.19569 1.177797  3988.900   106.4000 3988.900  106.4000 3988.900   106.4000 88.19569 1.177797  88.19569 1.177797  0.000000       0.000000  
1 1 1 12  0  16 o 25.66068 0.6207196 338.0000   16.30000 338.0000  16.30000 338.0000   16.30000 25.66068 0.6207196 25.66068 0.6207196 0.000000       0.000000  
1 1 1 12  0  17 o 31.05758 0.6826020 495.0000   21.70000 495.0000  21.70000 495.0000   21.70000 31.05758 0.6826020 31.05758 0.6826020 0.000000       0.000000  
1 1 1 12  0  18 o 70.58685 0.9875695 2555.400   71.40000 2555.400  71.40000 2555.400   71.40000 70.58685 0.9875695 70.58685 0.9875695 0.000000       0.000000  
1 1 1 12  0  19 o 16.66895 0.7647694 143.3000   13.00000 143.3000  13.00000 143.3000   13.00000 16.66895 0.7647694 16.66895 0.7647694 0.000000       0.000000  
1 1 1 12  0  20 o 4.304576 2.145760  14.00000   11.50000 14.00000  11.50000 14.00000   11.50000 4.304576 2.145760  4.304576 2.145760  0.000000       0.000000  
1 1 1 12  0  21 o 21.02808 0.7072315 227.4000   15.20000 227.4000  15.20000 227.4000   15.20000 21.02808 0.7072315 21.02808 0.7072315 0.000000       0.000000  
1 1 1 12  1  0  o 206.3553 1.666430  21830.90   352.3719 21814.30  698.5000 21847.80   711.1000 206.0872 3.307631  206.2365 3.364857  -0.1493225     4.718335  
1 1 1 12  1  1  o 82.84310 0.5290970 3516.493   44.91486 3483.300  88.50000 3550.700   91.20000 82.44322 1.047587  83.23656 1.069257  -0.7933350     1.496913  
1 1 1 12  1  2  f 244.7242 1.401334  30699.49   351.4122 31691.40  725.3000 29767.20   681.7000 248.4593 2.848813  240.8126 2.762585  7.646713       3.968326  
1 1 1 12  1  3  o 38.99312 0.3402977 779.0348   13.59707 726.1000  25.60000 839.0000   29.00000 37.64351 0.6636689 40.46413 0.6994060 -2.820625      0.9641707 
1 1 1 12  1  4  f 83.45834 0.5425495 3568.951   46.39888 3875.000  100.9000 3308.400   85.90000 86.95214 1.132433  80.34599 1.043351  6.606148       1.539801  
1 1 1 12  1  5  o 129.5117 0.7844087 8595.228   104.0998 8680.700  208.5000 8510.000   207.9000 130.1225 1.563706  128.8362 1.574774  1.286316       2.219254  
1 1 1 12  1  6  o 146.7819 0.8865096 11040.96   133.3381 11555.40  278.4000 10568.10   255.9000 150.1113 1.809912  143.5603 1.739553  6.551071       2.510343  
1 1 1 12  1  7  o 99.46174 0.6313094 5069.078   64.34231 4846.600  123.1000 5312.700   134.8000 97.23925 1.235430  101.8057 1.292170  -4.566422      1.787733  
1 1 1 12  1  8  f 81.32533 0.5407436 3388.885   45.06253 3176.100  87.60000 3614.300   92.80000 78.72065 1.085968  83.97591 1.078437  -5.255257      1.530475  
1 1 1 12  1  9  o 23.05145 0.3173336 272.2564   7.495709 249.5000  13.60000 300.2000   16.70000 22.05797 0.6022566 24.19485 0.6742467 -2.136879      0.9040584 
1 1 1 12  1  10 o 76.65357 0.4967450 3010.697   39.01793 2933.500  77.00000 3090.000   79.10000 75.65561 0.9932332 77.64745 0.9941478 -1.991837      1.405291  
1 1 1 12  1  11 o 47.76934 0.3990157 1169.203   19.53159 1229.300  37.90000 1105.300   40.30000 48.97827 0.7551573 46.44126 0.8468426 2.537014       1.134639  
1 1 1 12  1  12 o 162.6277 0.9567114 13555.15   159.4314 13296.30  310.4000 13828.50   327.8000 160.9895 1.881593  164.1721 1.948549  -3.182526      2.708733  
1 1 1 12  1  13 o 19.29821 0.3258566 190.8190   6.443799 196.1000  12.50000 185.2000   13.30000 19.55230 0.6246999 18.99821 0.6843065 0.5540943      0.9265665 
1 1 1 12  1  14 o 70.72520 0.4832868 2563.089   35.02494 2599.100  72.80000 2529.700   67.50000 71.20776 0.9977131 70.25253 0.9376557 0.9552307      1.369171  
1 1 1 12  1  15 o 114.3045 0.6864398 6695.833   80.40150 6628.700  158.1000 6765.300   163.6000 113.6884 1.357118  114.8510 1.390113  -1.162643      1.942726  
1 1 1 12  1  16 o 53.93380 0.4165372 1490.517   23.02041 1564.700  46.70000 1418.400   45.40000 55.25096 0.8248571 52.60412 0.8422437 2.646839       1.178882  
1 1 1 12  1  17 o 94.81536 0.6019382 4607.249   58.48291 4638.800  115.0000 4574.600   119.0000 95.10340 1.180058  94.43885 1.229696  0.6645508      1.704315  
1 1 1 12  1  18 o 103.9087 0.6325229 5533.886   67.34830 5341.700  128.6000 5745.200   141.4000 102.0369 1.229944  105.8115 1.304121  -3.774643      1.792623  
1 1 1 12  1  19 f 100.5061 0.6195961 5177.677   63.81160 5210.800  129.5000 5145.500   125.8000 100.7620 1.254223  100.1324 1.226048  0.6295471      1.753930  
1 1 1 12  1  20 f 24.67655 0.3091472 312.0257   7.817143 357.3000  17.10000 273.9000   14.40000 26.40103 0.6320869 23.10778 0.6086732 3.293255       0.8775061 
1 1 1 12  1  21 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 12  2  0  o 33.49106 0.4270727 574.7051   14.65646 571.7000  31.00000 577.4000   27.80000 33.38853 0.9069186 33.56762 0.8082132 -0.1790810     1.214788  
1 1 1 12  2  1  o 79.73959 0.5117175 3257.949   41.81216 3437.400  88.20000 3096.200   79.50000 81.89774 1.050989  77.72794 0.9981403 4.169792       1.449435  
1 1 1 12  2  2  o 78.09063 0.5146924 3124.604   41.18557 3041.700  79.90000 3212.800   85.00000 77.04036 1.012115  79.17681 1.047665  -2.136452      1.456702  
1 1 1 12  2  3  o 47.23322 0.3551253 1143.082   17.18809 1018.300  29.70000 1314.500   40.80000 44.57899 0.6501714 50.64794 0.7861402 -6.068951      1.020166  
1 1 1 12  2  4  o 241.7807 1.378176  29965.98   341.4481 29797.20  672.8000 30139.90   693.3000 240.9239 2.725259  242.2936 2.792421  -1.369690      3.901878  
1 1 1 12  2  5  o 47.25494 0.3721082 1144.140   18.01834 974.1000  31.50000 1371.400   42.10000 43.60017 0.7050566 51.73216 0.7941876 -8.131989      1.061998  
1 1 1 12  2  6  o 126.3266 0.7743151 8177.688   100.2330 8008.500  193.2000 8360.100   208.3000 124.9837 1.508534  127.6933 1.591926  -2.709534      2.193149  
1 1 1 12  2  7  o 138.9411 0.8191503 9892.667   116.6252 9704.400  229.9000 10086.50   236.7000 137.5733 1.630822  140.2545 1.646961  -2.681183      2.317770  
1 1 1 12  2  8  o 146.2423 0.8731645 10960.05   130.8481 11102.80  260.7000 10816.20   262.7000 147.1431 1.729032  145.2288 1.765261  1.914276       2.470971  
1 1 1 12  2  9  o 110.9047 0.6715635 6302.727   76.31947 6909.200  167.5000 5795.100   140.2000 116.0905 1.408055  106.3250 1.286810  9.765564       1.907485  
1 1 1 12  2  10 o 109.6300 0.6926691 6158.776   77.81322 6224.700  150.6000 6088.300   161.0000 110.1919 1.333757  108.9726 1.441817  1.219299       1.964114  
1 1 1 12  2  11 o 134.6414 0.8043216 9290.169   110.9703 9402.900  223.4000 9178.900   220.5000 135.4098 1.610033  133.7873 1.608405  1.622498       2.275780  
1 1 1 12  2  12 o 59.87684 0.4257744 1837.031   26.12383 1886.200  51.90000 1787.200   52.60000 60.66681 0.8348681 59.05259 0.8692574 1.614220       1.205244  
1 1 1 12  2  13 o 98.50510 0.6164632 4972.308   62.22490 4858.000  122.0000 5091.300   127.0000 97.34251 1.223091  99.65137 1.243719  -2.308853      1.744359  
1 1 1 12  2  14 o 54.62140 0.4018830 1528.720   22.49370 1480.100  42.10000 1584.500   48.30000 53.74030 0.7645108 55.60151 0.8477390 -1.861214      1.141551  
1 1 1 12  2  15 o 87.44610 0.5814936 3918.611   52.10551 3624.400  95.00000 4276.000   115.4000 84.07847 1.102657  91.31628 1.233273  -7.237808      1.654332  
1 1 1 12  2  16 o 26.31423 0.3090396 354.7946   8.333035 352.7000  15.30000 357.3000   18.30000 26.23448 0.5691419 26.39517 0.6771534 -0.1606827     0.8845673 
1 1 1 12  2  17 o 90.64681 0.5609105 4210.951   52.10081 4490.900  111.5000 3965.400   97.80000 93.57359 1.162849  87.93456 1.085378  5.639030       1.590680  
1 1 1 12  2  18 o 21.59142 0.3212543 238.8769   7.107693 244.0000  13.20000 232.9000   15.40000 21.81114 0.5911502 21.30384 0.7064240 0.5072994      0.9211370 
1 1 1 12  2  19 o 60.88175 0.4335688 1899.489   27.04852 2003.200  54.50000 1797.300   53.70000 62.50241 0.8509448 59.20113 0.8852092 3.301281       1.227885  
1 1 1 12  2  20 o 29.41030 0.3044648 443.2219   9.175609 416.9000  17.10000 473.7000   19.80000 28.51886 0.5851477 30.39836 0.6356481 -1.879492      0.8639713 
1 1 1 12  3  0  o 135.2482 0.9632652 9374.167   133.4983 8989.800  205.1000 10090.80   382.4000 132.4238 1.511476  140.2142 2.661506  -7.790405      3.060747  
1 1 1 12  3  1  o 150.2052 0.8814881 11561.76   135.6750 11899.60  271.5000 11224.30   271.2000 152.3403 1.739229  147.9512 1.788846  4.389084       2.494972  
1 1 1 12  3  2  o 75.32835 0.4970706 2907.456   38.36851 3226.100  81.50000 2624.000   72.50000 79.34104 1.002447  71.55540 0.9887743 7.785637       1.408039  
1 1 1 12  3  3  o 123.2354 0.7528154 7782.248   95.06538 7770.300  179.5000 7795.700   202.1000 123.1168 1.422816  123.3091 1.599458  -0.1922684     2.140718  
1 1 1 12  3  4  o 25.92417 0.2879649 344.3405   7.649673 434.1000  15.20000 253.4000   15.40000 29.10685 0.5096242 22.22749 0.6769214 6.879354       0.8473130 
1 1 1 12  3  5  o 155.0516 0.8993151 12320.25   142.8849 12164.50  279.8000 12482.80   292.0000 154.0177 1.772877  156.0155 1.826487  -1.997787      2.545417  
1 1 1 12  3  6  o 111.6329 0.6790070 6385.737   77.67209 6521.800  154.4000 6248.000   156.3000 112.7944 1.335861  110.3993 1.381638  2.395050       1.921835  
1 1 1 12  3  7  o 73.24004 0.5107453 2748.522   38.33110 2844.700  71.90000 2638.700   82.10000 74.50350 0.9417895 71.75137 1.116644  2.752136       1.460774  
1 1 1 12  3  8  o 8.181513 0.5718288 34.46633   4.763819 43.20000  7.900000 21.20000   12.00000 9.141706 0.8531908 6.342623 1.776161  2.799083       1.970453  
1 1 1 12  3  9  o 100.0890 0.6266965 5133.297   64.27499 5252.900  128.5000 5013.600   128.6000 101.2296 1.238788  98.89574 1.269010  2.333885       1.773410  
1 1 1 12  3  10 o 105.5182 0.6355259 5705.357   68.71618 6152.200  148.5000 5320.500   127.9000 109.5473 1.322898  101.8782 1.225155  7.669144       1.803071  
1 1 1 12  3  11 o 118.4281 0.7057019 7187.195   85.63960 6908.700  163.2000 7494.700   180.2000 116.0808 1.372023  120.8984 1.454574  -4.817551      1.999558  
1 1 1 12  3  12 o 144.4359 0.8450833 10691.75   125.0757 10552.10  243.3000 10839.50   257.4000 143.4285 1.655420  145.3611 1.728072  -1.932632      2.393042  
1 1 1 12  3  13 o 60.99844 0.4099459 1906.513   25.62380 1966.600  50.90000 1845.600   51.60000 61.94537 0.8018823 60.00859 0.8391467 1.936779       1.160682  
1 1 1 12  3  14 o 46.74874 0.3543605 1119.792   16.97515 1249.000  35.30000 1000.100   32.70000 49.36747 0.6978072 44.17508 0.7223905 5.192390       1.004382  
1 1 1 12  3  15 o 96.15129 0.5909920 4737.745   58.22844 4605.900  110.9000 4883.500   122.6000 94.77621 1.141915  97.58457 1.226058  -2.808365      1.675467  
1 1 1 12  3  16 o 49.80958 0.3664599 1271.265   18.70414 1383.800  38.70000 1166.000   36.20000 51.96009 0.7268465 47.69572 0.7406803 4.264374       1.037744  
1 1 1 12  3  17 o 16.13879 0.3734775 133.4638   6.176378 140.6000  10.60000 123.5000   14.80000 16.55099 0.6261342 15.49147 0.9367090 1.059520       1.126707  
1 1 1 12  3  18 o 97.47169 0.6008678 4869.571   60.01445 4651.400  111.7000 5122.900   129.7000 95.21556 1.144845  99.90950 1.266878  -4.693939      1.707528  
1 1 1 12  3  19 o 24.88812 0.2899526 317.3936   7.394649 319.5000  13.40000 314.8000   16.50000 24.96760 0.5237567 24.77244 0.6505681 0.1951561      0.8352005 
1 1 1 12  3  20 o 63.33128 0.5097914 2055.727   33.08332 1911.900  68.60000 2189.700   63.90000 61.03474 1.096854  65.33213 0.9544994 -4.297394      1.454014  
1 1 1 12  4  0  o 115.0977 0.8118905 6788.563   95.75526 6823.200  156.1000 6733.600   247.7000 115.3744 1.320368  114.5733 2.109815  0.8011398      2.488913  
1 1 1 12  4  1  o 140.5748 0.8206176 10126.57   118.2079 10315.50  230.0000 9926.800   243.2000 141.8450 1.582397  139.1392 1.705751  2.705734       2.326707  
1 1 1 12  4  2  o 24.53564 0.2779533 308.4412   6.988235 301.1000  10.80000 321.9000   19.80000 24.24152 0.4347760 25.05153 0.7722386 -0.8100147     0.8862181 
1 1 1 12  4  3  o 87.65093 0.5373229 3936.561   48.26033 3989.600  91.60000 3877.500   102.0000 88.23021 1.013164  86.97833 1.144434  1.251877       1.528473  
1 1 1 12  4  4  o 130.2904 0.7724255 8698.972   103.1258 8853.900  198.7000 8531.800   214.4000 131.4156 1.475545  128.9946 1.622015  2.420990       2.192753  
1 1 1 12  4  5  o 138.0872 0.7950146 9771.404   112.4934 9758.600  216.9000 9785.200   233.7000 137.9615 1.534275  138.1418 1.650954  -0.1802979     2.253808  
1 1 1 12  4  6  o 134.9166 0.7752506 9327.783   107.1780 9382.100  208.1000 9270.100   221.0000 135.2749 1.501262  134.4585 1.604005  0.8163757      2.196957  
1 1 1 12  4  7  o 160.9391 0.9240351 13274.19   152.3871 13645.00  302.0000 12896.50   307.6000 163.1096 1.806878  158.5649 1.893132  4.544754       2.617013  
1 1 1 12  4  8  o 36.36587 0.3346416 677.5983   12.47017 682.9000  19.90000 668.7000   33.40000 36.50683 0.5319619 36.12212 0.9023495 0.3847084      1.047482  
1 1 1 12  4  9  o 156.4835 0.8903361 12549.45   142.7648 12341.20  274.4000 12775.30   297.6000 155.1212 1.726293  157.8147 1.840293  -2.693527      2.523245  
1 1 1 12  4  10 o 77.17985 0.4946744 3052.223   39.12206 2951.100  73.00000 3169.000   84.30000 75.88145 0.9388341 78.62982 1.046265  -2.748375      1.405731  
1 1 1 12  4  11 o 63.69989 0.4212973 2079.113   27.49956 1888.700  46.50000 2354.700   67.30000 60.70805 0.7474949 67.77943 0.9689888 -7.071381      1.223801  
1 1 1 12  4  12 o 118.2534 0.6940035 7166.271   84.09570 7031.500  160.3000 7315.000   176.9000 117.1006 1.335906  119.4295 1.445499  -2.328873      1.968276  
1 1 1 12  4  13 o 74.93639 0.4780948 2877.437   36.71176 2930.300  70.50000 2820.000   76.60000 75.60976 0.9099402 74.16945 1.007872  1.440315       1.357865  
1 1 1 12  4  14 o 136.8857 0.8077368 9604.065   113.2991 9298.900  212.5000 9952.600   242.7000 134.6238 1.540419  139.2536 1.700846  -4.629807      2.294725  
1 1 1 12  4  15 o 68.82975 0.9768878 0.000000   0.000000 ?         ?        2428.900   68.90000 ?        ?         68.82975 0.9768878 0.000000       0.9768878 
1 1 1 12  4  16 o 44.93879 0.3389250 1034.791   15.60714 1049.900  28.50000 1016.500   34.50000 45.26076 0.6145039 44.53143 0.7560561 0.7293243      0.9742873 
1 1 1 12  4  17 o 48.43631 0.3549995 1202.170   17.61964 1098.300  29.90000 1351.200   42.90000 46.29022 0.6303527 51.33693 0.8155096 -5.046711      1.030728  
1 1 1 12  4  18 o 12.06241 0.4078642 74.64812   5.034112 76.20000  8.100000 72.10000   13.30000 12.17483 0.6516418 11.80184 1.112915  0.3729925      1.289658  
1 1 1 12  4  19 o 49.24973 0.7133460 0.000000   0.000000 ?         ?        1243.600   36.00000 ?        ?         49.24973 0.7133460 0.000000       0.7133460 
1 1 1 12  5  0  o 162.3074 1.291883  13503.72   214.8622 14324.40  439.8000 12719.80   420.1000 167.0484 2.569298  157.4103 2.604481  9.638184       3.658499  
1 1 1 12  5  1  o 58.83773 0.4414556 1773.801   26.61591 1934.900  60.70000 1648.000   47.40000 61.44497 0.9640598 56.70906 0.8156946 4.735916       1.262842  
1 1 1 12  5  2  o 30.91700 0.6597061 0.000000   0.000000 ?         ?        489.8000   20.90000 ?        ?         30.91700 0.6597061 0.000000       0.6597061 
1 1 1 12  5  3  o 82.66989 1.120264  0.000000   0.000000 ?         ?        3502.900   94.90000 ?        ?         82.66989 1.120264  0.000000       1.120264  
1 1 1 12  5  4  o 37.37490 0.6867162 0.000000   0.000000 ?         ?        715.8000   26.30000 ?        ?         37.37490 0.6867162 0.000000       0.6867162 
1 1 1 12  5  5  o 179.3117 2.058872  0.000000   0.000000 ?         ?        16495.60   378.3000 ?        ?         179.3117 2.058872  0.000000       2.058872  
1 1 1 12  5  6  f 103.7489 1.291482  0.000000   0.000000 ?         ?        5517.900   137.3000 ?        ?         103.7489 1.291482  0.000000       1.291482  
1 1 1 12  5  7  o 64.15562 0.9035525 0.000000   0.000000 ?         ?        2109.400   59.40000 ?        ?         64.15562 0.9035525 0.000000       0.9035525 
1 1 1 12  5  8  o 112.9603 1.401286  0.000000   0.000000 ?         ?        6542.300   162.2000 ?        ?         112.9603 1.401286  0.000000       1.401286  
1 1 1 12  5  9  o 88.26256 1.135522  0.000000   0.000000 ?         ?        3993.400   102.7000 ?        ?         88.26256 1.135522  0.000000       1.135522  
1 1 1 12  5  10 f 27.05171 0.7329990 0.000000   0.000000 ?         ?        375.3000   20.30000 ?        ?         27.05171 0.7329990 0.000000       0.7329990 
1 1 1 12  5  11 o 147.5068 1.779018  0.000000   0.000000 ?         ?        11164.80   268.9000 ?        ?         147.5068 1.779018  0.000000       1.779018  
1 1 1 12  5  12 o 27.43392 0.3107049 385.6263   8.734426 392.0000  14.40000 375.8000   22.20000 27.65850 0.5080839 27.06632 0.8013161 0.5921860      0.9488186 
1 1 1 12  5  13 o 42.08565 0.3471703 907.5458   14.97183 955.8000  31.30000 863.3000   28.70000 43.18497 0.7073157 41.04258 0.6824155 2.142395       0.9828461 
1 1 1 12  5  14 o 2.312168 1.007184  -0.9048779 4.475122 -6.700000 6.600000 11.30000   13.90000 2.347940 1.098810  5.292152 1.948196  -2.944212      2.236706  
1 1 1 12  5  15 o 41.80114 0.3072744 895.3210   13.16173 969.0000  23.70000 803.3000   29.60000 43.48371 0.5318919 39.58754 0.7296839 3.896164       0.9029660 
1 1 1 12  5  16 f 31.86768 0.2917168 520.3630   9.525991 468.0000  13.60000 642.8000   31.80000 30.22015 0.4391814 35.40673 0.8764819 -5.186584      0.9803575 
1 1 1 12  5  17 o 56.80455 0.8641447 0.000000   0.000000 ?         ?        1654.700   50.30000 ?        ?         56.80455 0.8641447 0.000000       0.8641447 
1 1 1 12  5  18 o 120.1123 1.466531  0.000000   0.000000 ?         ?        7413.400   180.5000 ?        ?         120.1123 1.466531  0.000000       1.466531  
1 1 1 12  5  19 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 12  6  0  o 55.49384 0.8792793 0.000000   0.000000 ?         ?        1578.200   50.00000 ?        ?         55.49384 0.8792793 0.000000       0.8792793 
1 1 1 12  6  1  f 162.4279 1.965267  0.000000   0.000000 ?         ?        13533.70   327.1000 ?        ?         162.4279 1.965267  0.000000       1.965267  
1 1 1 12  6  2  o 66.76461 0.9661771 0.000000   0.000000 ?         ?        2284.500   66.10000 ?        ?         66.76461 0.9661771 0.000000       0.9661771 
1 1 1 12  6  3  o 134.0416 1.657773  0.000000   0.000000 ?         ?        9213.800   227.7000 ?        ?         134.0416 1.657773  0.000000       1.657773  
1 1 1 12  6  4  o 180.9386 2.099149  0.000000   0.000000 ?         ?        16798.80   389.2000 ?        ?         180.9386 2.099149  0.000000       2.099149  
1 1 1 12  6  5  o 128.6079 1.503206  0.000000   0.000000 ?         ?        8481.000   198.1000 ?        ?         128.6079 1.503206  0.000000       1.503206  
1 1 1 12  6  6  o 75.86598 1.128117  0.000000   0.000000 ?         ?        2950.300   87.70000 ?        ?         75.86598 1.128117  0.000000       1.128117  
1 1 1 12  6  7  o 130.7052 1.574655  0.000000   0.000000 ?         ?        8761.500   210.9000 ?        ?         130.7052 1.574655  0.000000       1.574655  
1 1 1 12  6  8  o 39.99347 0.7613199 0.000000   0.000000 ?         ?        819.7000   31.20000 ?        ?         39.99347 0.7613199 0.000000       0.7613199 
1 1 1 12  6  9  o 25.22913 0.7590137 0.000000   0.000000 ?         ?        326.5000   19.60000 ?        ?         25.22913 0.7590137 0.000000       0.7590137 
1 1 1 12  6  10 o 15.98692 1.062068  0.000000   0.000000 ?         ?        131.6000   17.30000 ?        ?         15.98692 1.062068  0.000000       1.062068  
1 1 1 12  6  11 o 47.97644 0.7648239 0.000000   0.000000 ?         ?        1179.700   37.60000 ?        ?         47.97644 0.7648239 0.000000       0.7648239 
1 1 1 12  6  12 o 69.56443 1.001642  0.000000   0.000000 ?         ?        2481.000   71.40000 ?        ?         69.56443 1.001642  0.000000       1.001642  
1 1 1 12  6  13 o 49.32510 0.7795247 0.000000   0.000000 ?         ?        1247.100   39.40000 ?        ?         49.32510 0.7795247 0.000000       0.7795247 
1 1 1 12  6  14 o 51.37979 0.7958356 0.000000   0.000000 ?         ?        1353.300   41.90000 ?        ?         51.37979 0.7958356 0.000000       0.7958356 
1 1 1 12  6  15 o 42.71424 0.7882209 0.000000   0.000000 ?         ?        935.4000   34.50000 ?        ?         42.71424 0.7882209 0.000000       0.7882209 
1 1 1 12  6  16 o 68.40227 0.9344853 0.000000   0.000000 ?         ?        2399.800   65.50000 ?        ?         68.40227 0.9344853 0.000000       0.9344853 
1 1 1 12  6  17 o 31.14757 0.6892872 0.000000   0.000000 ?         ?        497.4000   22.00000 ?        ?         31.14757 0.6892872 0.000000       0.6892872 
1 1 1 12  6  18 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 12  7  0  o 118.5862 1.522436  0.000000   0.000000 ?         ?        7210.800   185.0000 ?        ?         118.5862 1.522436  0.000000       1.522436  
1 1 1 12  7  1  o 103.0051 1.278070  0.000000   0.000000 ?         ?        5439.200   134.9000 ?        ?         103.0051 1.278070  0.000000       1.278070  
1 1 1 12  7  2  o 65.91508 0.9579022 0.000000   0.000000 ?         ?        2226.800   64.70000 ?        ?         65.91508 0.9579022 0.000000       0.9579022 
1 1 1 12  7  3  o 146.7533 1.742934  0.000000   0.000000 ?         ?        11046.70   262.1000 ?        ?         146.7533 1.742934  0.000000       1.742934  
1 1 1 12  7  4  o 234.5842 2.657467  0.000000   0.000000 ?         ?        28272.80   638.8000 ?        ?         234.5842 2.657467  0.000000       2.657467  
1 1 1 12  7  5  o 128.4305 1.530358  0.000000   0.000000 ?         ?        8459.200   201.4000 ?        ?         128.4305 1.530358  0.000000       1.530358  
1 1 1 12  7  6  o 92.72704 1.176622  0.000000   0.000000 ?         ?        4408.100   111.8000 ?        ?         92.72704 1.176622  0.000000       1.176622  
1 1 1 12  7  7  o 52.52765 0.8025967 0.000000   0.000000 ?         ?        1414.100   43.20000 ?        ?         52.52765 0.8025967 0.000000       0.8025967 
1 1 1 12  7  8  o 155.0125 1.852786  0.000000   0.000000 ?         ?        12333.20   294.3000 ?        ?         155.0125 1.852786  0.000000       1.852786  
1 1 1 12  7  9  o 19.39482 1.040340  0.000000   0.000000 ?         ?        193.4000   20.60000 ?        ?         19.39482 1.040340  0.000000       1.040340  
1 1 1 12  7  10 o 44.74345 0.7611980 0.000000   0.000000 ?         ?        1026.100   34.90000 ?        ?         44.74345 0.7611980 0.000000       0.7611980 
1 1 1 12  7  11 o 66.62478 0.9345155 0.000000   0.000000 ?         ?        2275.700   63.80000 ?        ?         66.62478 0.9345155 0.000000       0.9345155 
1 1 1 12  7  12 o 50.94711 0.7585378 0.000000   0.000000 ?         ?        1330.500   39.60000 ?        ?         50.94711 0.7585378 0.000000       0.7585378 
1 1 1 12  7  13 o 31.03699 0.7231859 0.000000   0.000000 ?         ?        493.8000   23.00000 ?        ?         31.03699 0.7231859 0.000000       0.7231859 
1 1 1 12  7  14 o 6.373510 2.127356  0.000000   0.000000 ?         ?        19.70000   16.30000 ?        ?         6.373510 2.127356  0.000000       2.127356  
1 1 1 12  7  15 o 41.31310 0.7393638 0.000000   0.000000 ?         ?        875.1000   31.30000 ?        ?         41.31310 0.7393638 0.000000       0.7393638 
1 1 1 12  7  16 o 27.61279 0.6538273 0.000000   0.000000 ?         ?        390.9000   18.50000 ?        ?         27.61279 0.6538273 0.000000       0.6538273 
1 1 1 12  8  0  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 12  8  1  o 156.7040 2.858474  0.000000   0.000000 ?         ?        12624.90   459.0000 ?        ?         156.7040 2.858474  0.000000       2.858474  
1 1 1 12  8  2  o 199.6819 2.438240  0.000000   0.000000 ?         ?        20482.80   498.9000 ?        ?         199.6819 2.438240  0.000000       2.438240  
1 1 1 12  8  3  o 44.84637 0.7333382 0.000000   0.000000 ?         ?        1030.700   33.70000 ?        ?         44.84637 0.7333382 0.000000       0.7333382 
1 1 1 12  8  4  o 29.51899 0.7842116 0.000000   0.000000 ?         ?        446.9000   23.70000 ?        ?         29.51899 0.7842116 0.000000       0.7842116 
1 1 1 12  8  5  o 59.34655 0.8550853 0.000000   0.000000 ?         ?        1805.200   52.00000 ?        ?         59.34655 0.8550853 0.000000       0.8550853 
1 1 1 12  8  6  o 28.19954 0.7967516 0.000000   0.000000 ?         ?        407.9000   23.00000 ?        ?         28.19954 0.7967516 0.000000       0.7967516 
1 1 1 12  8  7  o 83.97252 1.078481  0.000000   0.000000 ?         ?        3615.400   92.80000 ?        ?         83.97252 1.078481  0.000000       1.078481  
1 1 1 12  8  8  o 61.09637 0.8817090 0.000000   0.000000 ?         ?        1913.500   55.20000 ?        ?         61.09637 0.8817090 0.000000       0.8817090 
1 1 1 12  8  9  o 41.08421 0.6722225 0.000000   0.000000 ?         ?        865.1000   28.30000 ?        ?         41.08421 0.6722225 0.000000       0.6722225 
1 1 1 12  8  10 o 44.81313 0.8188120 0.000000   0.000000 ?         ?        1029.500   37.60000 ?        ?         44.81313 0.8188120 0.000000       0.8188120 
1 1 1 12  8  11 o 92.13869 1.292169  0.000000   0.000000 ?         ?        4356.800   122.0000 ?        ?         92.13869 1.292169  0.000000       1.292169  
1 1 1 12  8  12 o 25.53885 0.7689378 0.000000   0.000000 ?         ?        334.7000   20.10000 ?        ?         25.53885 0.7689378 0.000000       0.7689378 
1 1 1 12  8  13 o 84.64157 1.112616  0.000000   0.000000 ?         ?        3676.500   96.50000 ?        ?         84.64157 1.112616  0.000000       1.112616  
1 1 1 12  8  14 o 90.89445 1.606186  0.000000   0.000000 ?         ?        4248.900   149.6000 ?        ?         90.89445 1.606186  0.000000       1.606186  
1 1 1 12  8  15 o 13.63634 1.666265  0.000000   0.000000 ?         ?        97.10000   22.80000 ?        ?         13.63634 1.666265  0.000000       1.666265  
1 1 1 12  9  0  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 12  9  1  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 12  9  2  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 12  9  3  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 12  9  4  o 40.91376 1.081462  0.000000   0.000000 ?         ?        858.9000   45.30000 ?        ?         40.91376 1.081462  0.000000       1.081462  
1 1 1 12  9  5  o 47.59194 0.8038117 0.000000   0.000000 ?         ?        1161.000   39.20000 ?        ?         47.59194 0.8038117 0.000000       0.8038117 
1 1 1 12  9  6  o 41.49270 0.7832026 0.000000   0.000000 ?         ?        882.5000   33.30000 ?        ?         41.49270 0.7832026 0.000000       0.7832026 
1 1 1 12  9  7  o 41.48813 0.7409490 0.000000   0.000000 ?         ?        882.3000   31.50000 ?        ?         41.48813 0.7409490 0.000000       0.7409490 
1 1 1 12  9  8  f 53.35361 0.8267539 0.000000   0.000000 ?         ?        1459.400   45.20000 ?        ?         53.35361 0.8267539 0.000000       0.8267539 
1 1 1 12  9  9  o 40.50090 0.7276858 0.000000   0.000000 ?         ?        840.9000   30.20000 ?        ?         40.50090 0.7276858 0.000000       0.7276858 
1 1 1 12  9  10 o 25.96510 0.7901993 0.000000   0.000000 ?         ?        346.0000   21.00000 ?        ?         25.96510 0.7901993 0.000000       0.7901993 
1 1 1 12  9  11 o 41.17751 0.7489082 0.000000   0.000000 ?         ?        869.4000   31.60000 ?        ?         41.17751 0.7489082 0.000000       0.7489082 
1 1 1 12  9  12 o 19.66539 1.030834  0.000000   0.000000 ?         ?        199.0000   20.70000 ?        ?         19.66539 1.030834  0.000000       1.030834  
1 1 1 12  9  13 o 10.54217 1.951016  0.000000   0.000000 ?         ?        59.10000   20.30000 ?        ?         10.54217 1.951016  0.000000       1.951016  
1 1 1 12  10 0  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 12  10 1  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 12  10 2  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 12  10 3  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 12  10 4  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 12  10 5  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 12  10 6  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 12  10 7  f 4.408966 2.116480  0.000000   0.000000 ?         ?        -40.40000  27.70000 ?        ?         4.408966 2.116480  0.000000       2.116480  
1 1 1 12  10 8  o 65.41749 1.200891  0.000000   0.000000 ?         ?        2196.900   80.50000 ?        ?         65.41749 1.200891  0.000000       1.200891  
1 1 1 12  10 9  o 6.750719 2.540982  0.000000   0.000000 ?         ?        17.30000   23.90000 ?        ?         6.750719 2.540982  0.000000       2.540982  
1 1 1 12  10 10 o 20.42310 1.228949  0.000000   0.000000 ?         ?        215.0000   25.60000 ?        ?         20.42310 1.228949  0.000000       1.228949  
1 1 1 12  10 11 o 33.81890 1.089307  0.000000   0.000000 ?         ?        587.8000   37.70000 ?        ?         33.81890 1.089307  0.000000       1.089307  
1 1 1 12  11 0  o 43.15807 0.7461970 0.000000   0.000000 ?         ?        954.9000   33.00000 ?        ?         43.15807 0.7461970 0.000000       0.7461970 
1 1 1 12  11 1  o 61.59868 0.9236315 0.000000   0.000000 ?         ?        1946.000   58.30000 ?        ?         61.59868 0.9236315 0.000000       0.9236315 
1 1 1 12  11 2  o 41.60823 0.7951006 0.000000   0.000000 ?         ?        887.7000   33.90000 ?        ?         41.60823 0.7951006 0.000000       0.7951006 
1 1 1 12  11 3  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 12  11 4  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 12  11 5  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 12  11 6  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 12  11 7  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 12  11 8  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 12  12 0  o 36.66183 0.9671048 0.000000   0.000000 ?         ?        690.2000   36.30000 ?        ?         36.66183 0.9671048 0.000000       0.9671048 
1 1 1 12  12 1  f 89.84461 1.635817  0.000000   0.000000 ?         ?        4154.800   150.6000 ?        ?         89.84461 1.635817  0.000000       1.635817  
1 1 1 12  12 2  o 36.91006 1.140922  0.000000   0.000000 ?         ?        700.3000   43.10000 ?        ?         36.91006 1.140922  0.000000       1.140922  
1 1 1 12  12 3  o 71.25856 1.307880  0.000000   0.000000 ?         ?        2609.900   95.50000 ?        ?         71.25856 1.307880  0.000000       1.307880  
1 1 1 12  12 4  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 13  0  0  o 20.79277 0.9431149 222.9000   20.00000 222.9000  20.00000 222.9000   20.00000 20.79277 0.9431149 20.79277 0.9431149 0.000000       0.000000  
1 1 1 13  0  1  o 234.5103 2.676150  28215.10   642.9000 28215.10  642.9000 28215.10   642.9000 234.5103 2.676150  234.5103 2.676150  0.000000       0.000000  
1 1 1 13  0  2  o 52.43322 0.8044689 1409.700   43.20000 1409.700  43.20000 1409.700   43.20000 52.43322 0.8044689 52.43322 0.8044689 0.000000       0.000000  
1 1 1 13  0  3  f 31.37371 0.6538542 505.0000   21.00000 505.0000  21.00000 505.0000   21.00000 31.37371 0.6538542 31.37371 0.6538542 0.000000       0.000000  
1 1 1 13  0  4  o 48.75503 0.7690544 1218.900   38.40000 1218.900  38.40000 1218.900   38.40000 48.75503 0.7690544 48.75503 0.7690544 0.000000       0.000000  
1 1 1 13  0  5  o 142.6878 1.722029  10440.50   251.7000 10440.50  251.7000 10440.50   251.7000 142.6878 1.722029  142.6878 1.722029  0.000000       0.000000  
1 1 1 13  0  6  o 37.80984 0.7181167 733.3000   27.80000 733.3000  27.80000 733.3000   27.80000 37.80984 0.7181167 37.80984 0.7181167 0.000000       0.000000  
1 1 1 13  0  7  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 13  0  8  o 37.02343 0.6964270 703.1000   26.40000 703.1000  26.40000 703.1000   26.40000 37.02343 0.6964270 37.02343 0.6964270 0.000000       0.000000  
1 1 1 13  0  9  o 6.837645 2.225674  30.50000   13.80000 30.50000  13.80000 30.50000   13.80000 6.837645 2.225674  6.837645 2.225674  0.000000       0.000000  
1 1 1 13  0  10 o 125.0047 1.527532  8013.400   195.6000 8013.400  195.6000 8013.400   195.6000 125.0047 1.527532  125.0047 1.527532  0.000000       0.000000  
1 1 1 13  0  11 o 37.34282 0.7009298 715.3000   26.80000 715.3000  26.80000 715.3000   26.80000 37.34282 0.7009298 37.34282 0.7009298 0.000000       0.000000  
1 1 1 13  0  12 o 100.5988 1.287775  5189.700   132.7000 5189.700  132.7000 5189.700   132.7000 100.5988 1.287775  100.5988 1.287775  0.000000       0.000000  
1 1 1 13  0  13 o 48.47922 0.7492433 1205.200   37.20000 1205.200  37.20000 1205.200   37.20000 48.47922 0.7492433 48.47922 0.7492433 0.000000       0.000000  
1 1 1 13  0  14 o 74.74169 1.035857  2864.800   79.30000 2864.800  79.30000 2864.800   79.30000 74.74169 1.035857  74.74169 1.035857  0.000000       0.000000  
1 1 1 13  0  15 o 71.91647 0.9570524 2652.200   70.50000 2652.200  70.50000 2652.200   70.50000 71.91647 0.9570524 71.91647 0.9570524 0.000000       0.000000  
1 1 1 13  0  16 o 14.19648 1.246694  105.7000   17.80000 105.7000  17.80000 105.7000   17.80000 14.19648 1.246694  14.19648 1.246694  0.000000       0.000000  
1 1 1 13  0  17 o 76.81755 0.9925572 3026.500   78.10000 3026.500  78.10000 3026.500   78.10000 76.81755 0.9925572 76.81755 0.9925572 0.000000       0.000000  
1 1 1 13  0  18 o 38.36847 0.6846859 755.2000   26.90000 755.2000  26.90000 755.2000   26.90000 38.36847 0.6846859 38.36847 0.6846859 0.000000       0.000000  
1 1 1 13  0  19 o 31.67103 0.6415123 514.7000   20.80000 514.7000  20.80000 514.7000   20.80000 31.67103 0.6415123 31.67103 0.6415123 0.000000       0.000000  
1 1 1 13  1  0  o 93.50093 0.8435043 4480.047   80.81680 4113.400  151.9000 4896.900   172.7000 89.56901 1.655014  97.72469 1.724605  -8.155685      2.390258  
1 1 1 13  1  1  o 27.05595 0.3141241 375.0642   8.708883 368.7000  16.70000 382.0000   18.20000 26.82443 0.6075578 27.30376 0.6505049 -0.4793262     0.8901029 
1 1 1 13  1  2  o 143.6445 0.8487076 10573.85   124.9239 10608.10  249.1000 10539.40   250.6000 143.8343 1.690102  143.3667 1.705824  0.4675751      2.401308  
1 1 1 13  1  3  o 92.25827 0.5937371 4361.362   56.13036 4320.000  110.2000 4404.300   114.4000 91.80658 1.171411  92.69698 1.204376  -0.8903961     1.680097  
1 1 1 13  1  4  o 183.7574 1.062581  17306.14   200.0807 16803.70  389.7000 17836.30   411.2000 180.9841 2.101317  186.4562 2.152177  -5.472092      3.007889  
1 1 1 13  1  5  o 15.27446 0.3529875 119.5407   5.524887 106.5000  11.00000 132.7000   11.10000 14.39691 0.7482003 16.07827 0.6752321 -1.681367      1.007840  
1 1 1 13  1  6  o 42.97568 0.3482286 946.3026   15.33506 1079.100  32.80000 829.7000   28.80000 45.88960 0.6975272 40.23870 0.6984740 5.650906       0.9871222 
1 1 1 13  1  7  o 67.76469 0.4775310 2352.920   33.15915 2335.900  64.90000 2370.700   67.80000 67.51212 0.9381333 68.01244 0.9728435 -0.5003204     1.351488  
1 1 1 13  1  8  o 211.5648 1.218301  22944.10   264.1169 23748.50  544.4000 22186.10   513.0000 215.0752 2.470184  207.8906 2.408154  7.184677       3.449785  
1 1 1 13  1  9  o 21.95825 0.3899907 247.0517   8.775066 280.7000  23.80000 227.4000   13.90000 23.38114 0.9956536 21.05594 0.6449919 2.325201       1.186314  
1 1 1 13  1  10 o 99.97900 0.6304989 5122.190   64.59390 4898.100  122.7000 5371.300   136.4000 97.74577 1.225034  102.3546 1.300495  -4.608780      1.786616  
1 1 1 13  1  11 o 115.1502 0.7065650 6795.081   83.37103 6900.100  167.9000 6691.500   165.6000 115.9978 1.412545  114.2308 1.414746  1.767006       1.999198  
1 1 1 13  1  12 o 92.77277 0.5873720 4410.458   55.83829 4673.300  116.9000 4170.100   106.9000 95.47157 1.194929  90.18725 1.156736  5.284317       1.663098  
1 1 1 13  1  13 o 62.59222 0.4373807 2007.505   28.05294 2110.400  58.50000 1912.700   53.90000 64.16525 0.8897287 61.08677 0.8610795 3.078484       1.238174  
1 1 1 13  1  14 o 10.77370 0.6067227 59.67290   6.671063 41.50000  15.70000 73.10000   11.60000 8.831594 1.796086  11.90257 0.9592010 -3.070975      2.036171  
1 1 1 13  1  15 o 26.50127 0.3124761 359.8609   8.485588 350.8000  16.30000 369.7000   17.70000 26.16276 0.6080029 26.85784 0.6431374 -0.6950836     0.8850386 
1 1 1 13  1  16 o 24.70251 0.7514834 0.000000   0.000000 ?         ?        313.1000   19.00000 ?        ?         24.70251 0.7514834 0.000000       0.7514834 
1 1 1 13  1  17 o 43.44591 0.3519559 967.2222   15.66879 937.7000  30.00000 999.5000   32.80000 42.76950 0.6845241 44.15499 0.7249293 -1.385490      0.9970435 
1 1 1 13  1  18 o 19.06778 0.3536419 186.3112   6.909747 239.6000  14.50000 137.8000   13.20000 21.60920 0.6555917 16.37430 0.7890286 5.234900       1.025849  
1 1 1 13  1  19 o 54.75808 0.3940722 1536.604   22.11171 1624.200  47.20000 1459.400   41.60000 56.27636 0.8184980 53.34846 0.7609797 2.927902       1.117600  
1 1 1 13  2  0  o 26.39866 0.3770681 357.0667   10.20000 357.2000  15.30000 356.8000   30.60000 26.40295 0.5655104 26.36024 1.135516  0.4270744E-01  1.268542  
1 1 1 13  2  1  o 56.91255 0.4179524 1659.608   24.37436 1661.200  48.50000 1658.000   49.00000 56.93573 0.8313012 56.88074 0.8406833 0.5498886E-01  1.182290  
1 1 1 13  2  2  o 145.2494 0.8499596 10811.49   126.5060 10473.90  246.3000 11168.00   260.1000 142.9213 1.681780  147.5783 1.719965  -4.656998      2.405549  
1 1 1 13  2  3  o 106.9555 0.6616170 5861.779   72.51170 5672.100  138.0000 6071.800   152.8000 105.1925 1.280253  108.8320 1.370151  -3.639496      1.875196  
1 1 1 13  2  4  o 138.0894 0.8451537 9771.938   119.5899 9959.200  237.0000 9581.200   241.4000 139.3642 1.659582  136.6895 1.723469  2.674713       2.392605  
1 1 1 13  2  5  o 77.50980 0.5109110 3078.337   40.57890 3036.800  77.90000 3123.500   84.70000 76.97674 0.9875966 78.06612 1.058821  -1.089378      1.447912  
1 1 1 13  2  6  o 173.4869 1.009843  15425.59   179.5225 15594.40  357.7000 15255.50   360.4000 174.3513 2.002145  172.4422 2.039590  1.909042       2.858061  
1 1 1 13  2  7  o 173.3728 1.007816  15405.49   179.0444 15641.50  360.1000 15172.10   356.1000 174.6088 2.012605  171.9679 2.020813  2.640900       2.852063  
1 1 1 13  2  8  o 73.51153 0.4895177 2768.955   36.87417 2884.400  74.10000 2654.600   73.40000 75.01925 0.9639335 71.96808 0.9953087 3.051170       1.385571  
1 1 1 13  2  9  f 69.56281 0.4725991 2479.475   33.68747 2602.600  69.70000 2364.300   65.20000 71.25967 0.9545321 67.91946 0.9368174 3.340210       1.337445  
1 1 1 13  2  10 o 115.5708 0.7070097 6844.747   83.72824 6850.600  164.8000 6838.700   170.2000 115.5849 1.391419  115.4812 1.438302  0.1036987      2.001189  
1 1 1 13  2  11 o 103.0998 0.6345476 5447.103   67.03792 5384.800  132.3000 5511.100   135.9000 102.4803 1.259856  103.6740 1.279237  -1.193687      1.795462  
1 1 1 13  2  12 o 93.11295 0.5925514 4442.923   56.53722 4408.400  111.4000 4478.500   114.8000 92.72556 1.172431  93.45834 1.198741  -0.7327881     1.676775  
1 1 1 13  2  13 o 88.64487 0.5671667 4026.795   51.51844 3866.800  94.90000 4216.800   112.7000 86.84470 1.066411  90.68081 1.212858  -3.836113      1.615010  
1 1 1 13  2  14 o 35.86319 0.3244617 659.0190   11.92369 703.3000  23.60000 613.8000   24.10000 37.04485 0.6217072 34.60665 0.6796090 2.438198       0.9210799 
1 1 1 13  2  15 o 62.14692 0.4198339 1979.113   26.73594 1945.600  50.20000 2017.300   57.20000 61.60690 0.7951993 62.72770 0.8898941 -1.120792      1.193421  
1 1 1 13  2  16 o 52.38151 0.3756151 1406.001   20.16134 1323.700  39.30000 1492.700   41.40000 50.81442 0.7547570 53.96105 0.7487237 -3.146633      1.063130  
1 1 1 13  2  17 o 18.70412 0.3082503 179.2634   5.907983 191.4000  10.90000 164.9000   12.90000 19.31668 0.5512391 17.92113 0.7038358 1.395552       0.8940075 
1 1 1 13  2  18 o 88.86349 0.5616345 4047.628   51.14174 3976.000  101.0000 4121.100   103.6000 88.01781 1.119831  89.60833 1.128270  -1.590523      1.589658  
1 1 1 13  3  0  o 72.50527 0.5462554 2693.669   40.58483 2450.500  65.20000 3094.600   107.5000 69.14982 0.9201490 77.69728 1.350219  -8.547462      1.633942  
1 1 1 13  3  1  o 79.53284 0.5133870 3241.113   41.83981 3127.500  79.60000 3367.000   88.20000 78.11833 0.9944015 81.05265 1.061947  -2.934319      1.454842  
1 1 1 13  3  2  o 139.8080 0.8228096 10016.56   117.8772 10051.20  231.1000 9980.500   240.6000 140.0101 1.610803  139.5119 1.683007  0.4981537      2.329635  
1 1 1 13  3  3  o 29.92060 0.3098441 458.6924   9.499746 412.2000  15.90000 527.7000   23.60000 28.36288 0.5470769 32.09046 0.7176914 -3.727577      0.9024268 
1 1 1 13  3  4  o 187.1130 1.073346  17944.45   205.7984 17622.60  397.7000 18289.60   426.5000 185.3354 2.094107  188.7965 2.204584  -3.461060      3.040637  
1 1 1 13  3  5  o 90.46432 0.6051939 4193.471   56.10095 4841.600  134.2000 3727.900   96.40000 97.18176 1.347626  85.28326 1.103100  11.89849       1.741529  
1 1 1 13  3  6  o 44.57093 0.3623119 1017.866   16.54751 1105.400  31.80000 922.9000   34.50000 46.44549 0.6681672 42.43733 0.7933643 4.008163       1.037244  
1 1 1 13  3  7  o 116.3244 0.6952104 6933.991   82.86775 7064.500  167.3000 6805.900   164.2000 117.3844 1.390872  115.2159 1.390792  2.168488       1.966933  
1 1 1 13  3  8  o 77.74649 0.4990082 3097.210   39.75455 3347.200  83.00000 2867.400   76.30000 80.81175 1.002317  74.79610 0.9955136 6.015648       1.412688  
1 1 1 13  3  9  o 102.4747 0.6189501 5381.100   64.99364 5157.800  124.4000 5625.400   136.1000 100.3036 1.210335  104.7485 1.267978  -4.444977      1.752906  
1 1 1 13  3  10 o 131.0614 0.7823058 8803.163   105.0630 8910.600  207.9000 8693.400   212.4000 131.8059 1.539292  130.1847 1.592194  1.621231       2.214612  
1 1 1 13  3  11 o 120.0390 0.7170070 7384.573   88.19507 7337.800  173.2000 7433.100   179.7000 119.6138 1.413085  120.3842 1.456733  -0.7704544     2.029503  
1 1 1 13  3  12 o 88.29505 0.5495552 3994.999   49.72171 3761.100  90.60000 4279.500   110.2000 85.65249 1.032262  91.35641 1.177184  -5.703918      1.565671  
1 1 1 13  3  13 o 57.98917 0.3925485 1723.083   23.32591 1686.400  45.20000 1762.200   48.20000 57.36037 0.7690032 58.63431 0.8022262 -1.273941      1.111275  
1 1 1 13  3  14 o 67.56581 0.4665173 2339.347   32.29930 2512.900  64.90000 2167.400   64.30000 70.01118 0.9046465 65.01754 0.9651216 4.993645       1.322817  
1 1 1 13  3  15 o 31.52446 0.3095358 509.2162   9.999007 519.9000  18.40000 496.5000   21.90000 31.85017 0.5637774 31.12294 0.6866969 0.7272301      0.8884805 
1 1 1 13  3  16 o 15.08280 0.3549382 116.5714   5.485714 152.1000  9.600000 69.20000   12.80000 17.21842 0.5447867 11.56280 1.093294  5.655622       1.221509  
1 1 1 13  3  17 o 11.72417 0.4372502 70.54109   5.243835 76.50000  8.700000 61.50000   13.20000 12.19551 0.6991081 10.87993 1.204124  1.315583       1.392360  
1 1 1 13  3  18 o 81.84357 0.6306487 3433.881   52.88962 3212.500  114.9000 3622.700   98.00000 79.07001 1.418110  84.00954 1.138411  -4.939537      1.818520  
1 1 1 13  4  0  o 141.0704 0.9508974 10198.99   137.4573 10133.00  227.8000 10299.40   346.6000 140.5798 1.581367  141.6618 2.387688  -1.081985      2.863874  
1 1 1 13  4  1  o 143.9876 0.8438215 10624.59   124.5013 10495.00  235.3000 10770.20   264.4000 143.0665 1.605039  144.9171 1.780506  -1.850601      2.397155  
1 1 1 13  4  2  o 128.6049 0.7472008 8475.365   98.46758 8507.800  191.4000 8441.000   202.8000 128.8200 1.449974  128.3078 1.542470  0.5122070      2.116988  
1 1 1 13  4  3  o 171.8954 0.9833311 15143.61   173.2058 15799.30  350.1000 14501.60   342.8000 175.4990 1.946790  168.1327 1.989712  7.366333       2.783693  
1 1 1 13  4  4  o 110.6215 0.6581107 6270.599   74.59966 6438.400  146.5000 6096.500   152.0000 112.0700 1.275704  109.0498 1.360256  3.020210       1.864864  
1 1 1 13  4  5  o 72.77309 0.4646238 2713.575   34.64740 2905.400  68.70000 2518.400   69.90000 75.29401 0.8904263 70.09845 0.9731290 5.195557       1.319030  
1 1 1 13  4  6  o 110.3923 0.6465525 6244.686   73.13761 6177.600  139.7000 6318.400   153.5000 109.7756 1.241916  111.0140 1.349374  -1.238419      1.833893  
1 1 1 13  4  7  o 101.6205 0.5946961 5291.637   61.92624 5232.400  119.1000 5355.800   129.0000 101.0312 1.150424  102.2118 1.231659  -1.180580      1.685366  
1 1 1 13  4  8  o 118.6683 0.7124555 7216.573   86.63451 7291.100  163.8000 7132.900   183.9000 119.2471 1.340502  117.9334 1.521761  1.313683       2.027980  
1 1 1 13  4  9  o 140.2158 0.8023487 10076.07   115.2812 9537.400  212.7000 10713.50   251.7000 136.3638 1.522194  144.5082 1.699778  -8.144424      2.281736  
1 1 1 13  4  10 o 53.53068 0.3764316 1468.266   20.64844 1473.000  37.60000 1462.500   45.80000 53.61250 0.6844211 53.41797 0.8367192 0.1945305      1.080986  
1 1 1 13  4  11 o 19.06171 0.3417362 186.1750   6.675000 171.5000  8.900000 230.2000   26.70000 18.28829 0.4753207 21.15135 1.237301  -2.863058      1.325460  
1 1 1 13  4  12 o 73.28053 0.4580234 2751.723   34.39337 2641.400  63.10000 2883.900   75.60000 71.78429 0.8578306 75.00149 0.9836792 -3.217194      1.305181  
1 1 1 13  4  13 o 127.0098 0.7410582 8268.411   96.44686 8592.700  194.0000 7947.800   191.8000 129.3994 1.463091  124.4432 1.504109  4.956215       2.098327  
1 1 1 13  4  14 o 62.98811 0.4063993 2033.056   26.23070 2060.900  49.90000 2002.200   55.30000 63.40598 0.7680190 62.49213 0.8635778 0.9138489      1.155690  
1 1 1 13  4  15 o 46.48351 0.3445212 1107.186   16.41018 1060.300  29.00000 1168.300   37.80000 45.48218 0.6222405 47.73709 0.7727472 -2.254910      0.9921297 
1 1 1 13  4  16 o 35.19740 0.3350235 634.8190   12.08326 581.3000  25.10000 684.5000   23.30000 33.67239 0.7274472 36.54253 0.6222414 -2.870144      0.9572688 
1 1 1 13  4  17 o 36.23489 0.6490703 0.000000   0.000000 ?         ?        673.1000   24.10000 ?        ?         36.23489 0.6490703 0.000000       0.6490703 
1 1 1 13  5  0  o 137.4632 0.9246656 9684.112   130.2476 10464.10  324.9000 9162.200   217.4000 142.7993 2.220370  133.6723 1.587156  9.126938       2.729306  
1 1 1 13  5  1  o 104.5992 0.7222662 5606.590   77.41479 5611.200  174.1000 5602.900   139.4000 104.6060 1.624215  104.5448 1.301254  0.6128693E-01  2.081187  
1 1 1 13  5  2  o 153.7897 1.800254  0.000000   0.000000 ?         ?        12130.90   283.7000 ?        ?         153.7897 1.800254  0.000000       1.800254  
1 1 1 13  5  3  o 92.59488 1.148791  0.000000   0.000000 ?         ?        4394.800   109.0000 ?        ?         92.59488 1.148791  0.000000       1.148791  
1 1 1 13  5  4  o 218.5509 2.492967  0.000000   0.000000 ?         ?        24526.60   558.3000 ?        ?         218.5509 2.492967  0.000000       2.492967  
1 1 1 13  5  5  o 69.52753 0.9502403 0.000000   0.000000 ?         ?        2477.600   67.70000 ?        ?         69.52753 0.9502403 0.000000       0.9502403 
1 1 1 13  5  6  o 68.02477 0.9396710 0.000000   0.000000 ?         ?        2371.700   65.50000 ?        ?         68.02477 0.9396710 0.000000       0.9396710 
1 1 1 13  5  7  o 107.0072 1.291374  0.000000   0.000000 ?         ?        5871.100   141.6000 ?        ?         107.0072 1.291374  0.000000       1.291374  
1 1 1 13  5  8  o 116.9315 1.401266  0.000000   0.000000 ?         ?        7012.000   167.9000 ?        ?         116.9315 1.401266  0.000000       1.401266  
1 1 1 13  5  9  o 45.90717 0.7652857 0.000000   0.000000 ?         ?        1080.100   36.00000 ?        ?         45.90717 0.7652857 0.000000       0.7652857 
1 1 1 13  5  10 o 21.00388 0.8520315 0.000000   0.000000 ?         ?        226.5000   18.30000 ?        ?         21.00388 0.8520315 0.000000       0.8520315 
1 1 1 13  5  11 o 27.78786 0.6994311 0.000000   0.000000 ?         ?        396.0000   19.90000 ?        ?         27.78786 0.6994311 0.000000       0.6994311 
1 1 1 13  5  12 o 57.65604 0.8869274 0.000000   0.000000 ?         ?        1704.200   52.40000 ?        ?         57.65604 0.8869274 0.000000       0.8869274 
1 1 1 13  5  13 o 116.2281 0.7923602 6925.287   94.36964 6685.400  203.2000 7133.300   176.2000 114.0739 1.738358  117.8808 1.458695  -3.806938      2.269290  
1 1 1 13  5  14 o 82.09502 1.099579  0.000000   0.000000 ?         ?        3457.500   92.50000 ?        ?         82.09502 1.099579  0.000000       1.099579  
1 1 1 13  5  15 o 54.02082 0.7804125 0.000000   0.000000 ?         ?        1496.300   43.20000 ?        ?         54.02082 0.7804125 0.000000       0.7804125 
1 1 1 13  5  16 o 88.36881 1.140783  0.000000   0.000000 ?         ?        4008.300   103.3000 ?        ?         88.36881 1.140783  0.000000       1.140783  
1 1 1 13  5  17 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 13  6  0  o 81.29219 1.069622  0.000000   0.000000 ?         ?        3387.200   89.10000 ?        ?         81.29219 1.069622  0.000000       1.069622  
1 1 1 13  6  1  o 107.9171 1.311231  0.000000   0.000000 ?         ?        5970.600   145.0000 ?        ?         107.9171 1.311231  0.000000       1.311231  
1 1 1 13  6  2  o 115.5581 1.391741  0.000000   0.000000 ?         ?        6846.800   164.8000 ?        ?         115.5581 1.391741  0.000000       1.391741  
1 1 1 13  6  3  o 84.71710 1.066698  0.000000   0.000000 ?         ?        3678.800   92.60000 ?        ?         84.71710 1.066698  0.000000       1.066698  
1 1 1 13  6  4  o 156.9643 1.814203  0.000000   0.000000 ?         ?        12640.80   291.8000 ?        ?         156.9643 1.814203  0.000000       1.814203  
1 1 1 13  6  5  o 106.3419 1.320559  0.000000   0.000000 ?         ?        5798.600   143.9000 ?        ?         106.3419 1.320559  0.000000       1.320559  
1 1 1 13  6  6  o 25.79416 0.7802739 0.000000   0.000000 ?         ?        341.3000   20.60000 ?        ?         25.79416 0.7802739 0.000000       0.7802739 
1 1 1 13  6  7  o 133.7986 1.621397  0.000000   0.000000 ?         ?        9184.700   222.3000 ?        ?         133.7986 1.621397  0.000000       1.621397  
1 1 1 13  6  8  o 30.80010 0.7509273 0.000000   0.000000 ?         ?        486.2000   23.70000 ?        ?         30.80010 0.7509273 0.000000       0.7509273 
1 1 1 13  6  9  o 79.57456 1.010543  0.000000   0.000000 ?         ?        3246.400   82.40000 ?        ?         79.57456 1.010543  0.000000       1.010543  
1 1 1 13  6  10 o 56.41043 0.8373124 0.000000   0.000000 ?         ?        1631.200   48.40000 ?        ?         56.41043 0.8373124 0.000000       0.8373124 
1 1 1 13  6  11 o 47.33976 0.7916018 0.000000   0.000000 ?         ?        1148.800   38.40000 ?        ?         47.33976 0.7916018 0.000000       0.7916018 
1 1 1 13  6  12 o 94.37801 1.217047  0.000000   0.000000 ?         ?        4570.200   117.7000 ?        ?         94.37801 1.217047  0.000000       1.217047  
1 1 1 13  6  13 o 19.37565 0.8735945 0.000000   0.000000 ?         ?        192.9000   17.30000 ?        ?         19.37565 0.8735945 0.000000       0.8735945 
1 1 1 13  6  14 o 56.24922 0.7963386 0.000000   0.000000 ?         ?        1622.400   45.90000 ?        ?         56.24922 0.7963386 0.000000       0.7963386 
1 1 1 13  6  15 o 28.62694 0.7472093 0.000000   0.000000 ?         ?        420.5000   21.90000 ?        ?         28.62694 0.7472093 0.000000       0.7472093 
1 1 1 13  7  0  o 208.6386 2.376133  0.000000   0.000000 ?         ?        22355.60   508.0000 ?        ?         208.6386 2.376133  0.000000       2.376133  
1 1 1 13  7  1  o 16.19330 1.220309  0.000000   0.000000 ?         ?        135.2000   20.10000 ?        ?         16.19330 1.220309  0.000000       1.220309  
1 1 1 13  7  2  o 128.1574 1.653932  0.000000   0.000000 ?         ?        8425.700   217.2000 ?        ?         128.1574 1.653932  0.000000       1.653932  
1 1 1 13  7  3  o 93.53601 1.198789  0.000000   0.000000 ?         ?        4485.700   114.9000 ?        ?         93.53601 1.198789  0.000000       1.198789  
1 1 1 13  7  4  o 186.4348 2.129915  0.000000   0.000000 ?         ?        17849.70   406.9000 ?        ?         186.4348 2.129915  0.000000       2.129915  
1 1 1 13  7  5  o 131.2236 1.565459  0.000000   0.000000 ?         ?        8834.400   210.5000 ?        ?         131.2236 1.565459  0.000000       1.565459  
1 1 1 13  7  6  o 78.48349 1.095467  0.000000   0.000000 ?         ?        3158.200   88.10000 ?        ?         78.48349 1.095467  0.000000       1.095467  
1 1 1 13  7  7  o 79.29648 1.010394  0.000000   0.000000 ?         ?        3223.800   82.10000 ?        ?         79.29648 1.010394  0.000000       1.010394  
1 1 1 13  7  8  o 36.83253 0.6676835 0.000000   0.000000 ?         ?        695.3000   25.20000 ?        ?         36.83253 0.6676835 0.000000       0.6676835 
1 1 1 13  7  9  o 63.78506 0.8659624 0.000000   0.000000 ?         ?        2085.800   56.60000 ?        ?         63.78506 0.8659624 0.000000       0.8659624 
1 1 1 13  7  10 o 55.33925 0.8464662 0.000000   0.000000 ?         ?        1570.100   48.00000 ?        ?         55.33925 0.8464662 0.000000       0.8464662 
1 1 1 13  7  11 o 78.15545 1.045124  0.000000   0.000000 ?         ?        3133.300   83.70000 ?        ?         78.15545 1.045124  0.000000       1.045124  
1 1 1 13  7  12 o 40.66675 0.6767235 0.000000   0.000000 ?         ?        847.8000   28.20000 ?        ?         40.66675 0.6767235 0.000000       0.6767235 
1 1 1 13  7  13 o 34.63805 0.6677235 0.000000   0.000000 ?         ?        615.1000   23.70000 ?        ?         34.63805 0.6677235 0.000000       0.6677235 
1 1 1 13  7  14 o 44.14972 0.7316472 0.000000   0.000000 ?         ?        999.5000   33.10000 ?        ?         44.14972 0.7316472 0.000000       0.7316472 
1 1 1 13  8  0  o 76.07371 1.017279  0.000000   0.000000 ?         ?        2966.700   79.30000 ?        ?         76.07371 1.017279  0.000000       1.017279  
1 1 1 13  8  1  o 28.33000 0.8172548 0.000000   0.000000 ?         ?        411.7000   23.70000 ?        ?         28.33000 0.8172548 0.000000       0.8172548 
1 1 1 13  8  2  o 88.33524 1.127959  0.000000   0.000000 ?         ?        4000.900   102.1000 ?        ?         88.33524 1.127959  0.000000       1.127959  
1 1 1 13  8  3  o 120.8594 1.568896  0.000000   0.000000 ?         ?        7495.400   194.3000 ?        ?         120.8594 1.568896  0.000000       1.568896  
1 1 1 13  8  4  o 124.5566 1.541913  0.000000   0.000000 ?         ?        7961.400   196.8000 ?        ?         124.5566 1.541913  0.000000       1.541913  
1 1 1 13  8  5  o 96.18564 1.246933  0.000000   0.000000 ?         ?        4745.400   122.9000 ?        ?         96.18564 1.246933  0.000000       1.246933  
1 1 1 13  8  6  o 22.01034 0.7415013 0.000000   0.000000 ?         ?        248.6000   16.70000 ?        ?         22.01034 0.7415013 0.000000       0.7415013 
1 1 1 13  8  7  o 58.46644 0.9297157 0.000000   0.000000 ?         ?        1752.700   55.70000 ?        ?         58.46644 0.9297157 0.000000       0.9297157 
1 1 1 13  8  8  o 48.64571 0.7462770 0.000000   0.000000 ?         ?        1213.100   37.20000 ?        ?         48.64571 0.7462770 0.000000       0.7462770 
1 1 1 13  8  9  o 89.91728 1.105943  0.000000   0.000000 ?         ?        4148.100   101.9000 ?        ?         89.91728 1.105943  0.000000       1.105943  
1 1 1 13  8  10 o 17.29600 0.9458638 0.000000   0.000000 ?         ?        153.9000   16.70000 ?        ?         17.29600 0.9458638 0.000000       0.9458638 
1 1 1 13  8  11 o 57.89893 0.9202879 0.000000   0.000000 ?         ?        1719.600   54.60000 ?        ?         57.89893 0.9202879 0.000000       0.9202879 
1 1 1 13  8  12 o 71.70114 1.422302  0.000000   0.000000 ?         ?        2642.300   104.5000 ?        ?         71.70114 1.422302  0.000000       1.422302  
1 1 1 13  8  13 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 13  9  0  o 64.93903 1.272856  0.000000   0.000000 ?         ?        2163.100   84.70000 ?        ?         64.93903 1.272856  0.000000       1.272856  
1 1 1 13  9  1  o 12.86009 1.363941  0.000000   0.000000 ?         ?        85.80000   17.70000 ?        ?         12.86009 1.363941  0.000000       1.363941  
1 1 1 13  9  2  o 98.82825 1.289626  0.000000   0.000000 ?         ?        5010.700   130.6000 ?        ?         98.82825 1.289626  0.000000       1.289626  
1 1 1 13  9  3  o 74.85618 0.9881962 0.000000   0.000000 ?         ?        2873.300   75.80000 ?        ?         74.85618 0.9881962 0.000000       0.9881962 
1 1 1 13  9  4  f 33.87265 0.6828114 0.000000   0.000000 ?         ?        588.1000   23.70000 ?        ?         33.87265 0.6828114 0.000000       0.6828114 
1 1 1 13  9  5  o 120.9061 1.469010  0.000000   0.000000 ?         ?        7506.000   182.0000 ?        ?         120.9061 1.469010  0.000000       1.469010  
1 1 1 13  9  6  o 50.11198 0.8646553 0.000000   0.000000 ?         ?        1287.700   44.40000 ?        ?         50.11198 0.8646553 0.000000       0.8646553 
1 1 1 13  9  7  o 100.8646 1.273264  0.000000   0.000000 ?         ?        5222.900   131.6000 ?        ?         100.8646 1.273264  0.000000       1.273264  
1 1 1 13  9  8  o 43.57871 0.7210795 0.000000   0.000000 ?         ?        973.7000   32.20000 ?        ?         43.57871 0.7210795 0.000000       0.7210795 
1 1 1 13  9  9  o 34.42088 0.9819737 0.000000   0.000000 ?         ?        608.4000   34.60000 ?        ?         34.42088 0.9819737 0.000000       0.9819737 
1 1 1 13  9  10 o 63.42867 1.283164  0.000000   0.000000 ?         ?        2066.800   83.40000 ?        ?         63.42867 1.283164  0.000000       1.283164  
1 1 1 13  9  11 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 13  10 0  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 13  10 1  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 13  10 2  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 13  10 3  o 52.57182 1.182464  0.000000   0.000000 ?         ?        1418.500   63.70000 ?        ?         52.57182 1.182464  0.000000       1.182464  
1 1 1 13  10 4  o 37.23389 0.9784723 0.000000   0.000000 ?         ?        711.7000   37.30000 ?        ?         37.23389 0.9784723 0.000000       0.9784723 
1 1 1 13  10 5  o 87.32544 1.496378  0.000000   0.000000 ?         ?        3919.700   133.9000 ?        ?         87.32544 1.496378  0.000000       1.496378  
1 1 1 13  10 6  o 19.29434 1.395295  0.000000   0.000000 ?         ?        192.3000   27.40000 ?        ?         19.29434 1.395295  0.000000       1.395295  
1 1 1 13  10 7  o 28.58562 0.9709640 0.000000   0.000000 ?         ?        419.8000   28.40000 ?        ?         28.58562 0.9709640 0.000000       0.9709640 
1 1 1 13  10 8  o 31.08240 1.012331  0.000000   0.000000 ?         ?        496.4000   32.20000 ?        ?         31.08240 1.012331  0.000000       1.012331  
1 1 1 13  11 0  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 13  11 1  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 13  11 2  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 13  11 3  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 13  11 4  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 14  0  0  o 37.88809 0.7037195 736.3000   27.30000 736.3000  27.30000 736.3000   27.30000 37.88809 0.7037195 37.88809 0.7037195 0.000000       0.000000  
1 1 1 14  0  1  o 155.3466 1.831156  12375.80   291.4000 12375.80  291.4000 12375.80   291.4000 155.3466 1.831156  155.3466 1.831156  0.000000       0.000000  
1 1 1 14  0  2  o 79.95520 1.064743  3277.700   87.20000 3277.700  87.20000 3277.700   87.20000 79.95520 1.064743  79.95520 1.064743  0.000000       0.000000  
1 1 1 14  0  3  o 37.99150 0.7352725 740.4000   28.60000 740.4000  28.60000 740.4000   28.60000 37.99150 0.7352725 37.99150 0.7352725 0.000000       0.000000  
1 1 1 14  0  4  o 13.71239 1.128412  98.30000   15.60000 98.30000  15.60000 98.30000   15.60000 13.71239 1.128412  13.71239 1.128412  0.000000       0.000000  
1 1 1 14  0  5  o 33.28913 0.8308014 568.9000   28.30000 568.9000  28.30000 568.9000   28.30000 33.28913 0.8308014 33.28913 0.8308014 0.000000       0.000000  
1 1 1 14  0  6  o 95.79824 1.217784  4705.600   119.5000 4705.600  119.5000 4705.600   119.5000 95.79824 1.217784  95.79824 1.217784  0.000000       0.000000  
1 1 1 14  0  7  o 140.5928 1.695613  10137.70   244.2000 10137.70  244.2000 10137.70   244.2000 140.5928 1.695613  140.5928 1.695613  0.000000       0.000000  
1 1 1 14  0  8  o 53.26188 0.7845874 1454.600   42.80000 1454.600  42.80000 1454.600   42.80000 53.26188 0.7845874 53.26188 0.7845874 0.000000       0.000000  
1 1 1 14  0  9  o 54.04613 0.8039213 1497.800   44.50000 1497.800  44.50000 1497.800   44.50000 54.04613 0.8039213 54.04613 0.8039213 0.000000       0.000000  
1 1 1 14  0  10 o 68.39067 0.9736155 2398.500   68.20000 2398.500  68.20000 2398.500   68.20000 68.39067 0.9736155 68.39067 0.9736155 0.000000       0.000000  
1 1 1 14  0  11 o 88.82707 1.122117  4046.100   102.1000 4046.100  102.1000 4046.100   102.1000 88.82707 1.122117  88.82707 1.122117  0.000000       0.000000  
1 1 1 14  0  12 o 2.037562 1.420171  -10.20000  10.70000 -10.20000 10.70000 -10.20000  10.70000 2.037562 1.420171  2.037562 1.420171  0.000000       0.000000  
1 1 1 14  0  13 o 85.22231 1.103160  3724.900   96.30000 3724.900  96.30000 3724.900   96.30000 85.22231 1.103160  85.22231 1.103160  0.000000       0.000000  
1 1 1 14  0  14 o 91.81174 1.183481  4324.000   111.3000 4324.000  111.3000 4324.000   111.3000 91.81174 1.183481  91.81174 1.183481  0.000000       0.000000  
1 1 1 14  0  15 o 1.655485 1.190970  -17.30000  9.900000 -17.30000 9.900000 -17.30000  9.900000 1.655485 1.190970  1.655485 1.190970  0.000000       0.000000  
1 1 1 14  0  16 o 3.302263 1.915899  6.800000   10.60000 6.800000  10.60000 6.800000   10.60000 3.302263 1.915899  3.302263 1.915899  0.000000       0.000000  
1 1 1 14  0  17 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 14  1  0  o 87.29545 0.5643100 3904.748   50.47865 3682.100  94.70000 4158.900   108.1000 84.75908 1.090348  90.07738 1.171147  -5.318306      1.600139  
1 1 1 14  1  1  o 199.9410 1.147629  20490.22   235.1265 20417.30  475.0000 20561.70   465.6000 199.4605 2.324011  200.1722 2.269922  -0.7116699     3.248626  
1 1 1 14  1  2  o 25.54658 0.3619269 334.3889   9.474405 389.4000  18.80000 278.5000   19.10000 27.56662 0.6655427 23.29851 0.8012235 4.268114       1.041588  
1 1 1 14  1  3  o 69.99670 0.4824713 2510.477   34.60569 2912.500  79.30000 2199.200   61.40000 75.38322 1.026597  65.50726 0.9147040 9.875969       1.374986  
1 1 1 14  1  4  o 97.62775 0.6085952 4883.923   60.88358 4864.300  119.8000 4904.200   123.8000 97.41400 1.200154  97.81132 1.235188  -0.3973160     1.722225  
1 1 1 14  1  5  o 66.80523 0.9290697 2287.300   63.60000 2287.300  63.60000 ?          ?        66.80523 0.9290697 ?        ?         0.000000       0.9290697 
1 1 1 14  1  6  o 176.1368 1.036114  15901.82   187.0062 16176.40  377.8000 15632.70   370.3000 177.5411 2.076657  174.5328 2.070515  3.008301       2.932496  
1 1 1 14  1  7  o 137.1486 0.8099946 9639.848   113.8340 9738.200  230.4000 9543.800   225.0000 137.7889 1.631811  136.4086 1.609690  1.380219       2.292141  
1 1 1 14  1  8  o 132.6545 0.7965816 9018.559   108.2806 8875.500  213.7000 9165.500   219.5000 131.5422 1.585408  133.6723 1.602488  -2.130112      2.254215  
1 1 1 14  1  9  o 54.01814 0.4033154 1495.143   22.32455 1395.200  42.20000 1607.400   47.40000 52.17556 0.7893088 56.00212 0.8259913 -3.826569      1.142484  
1 1 1 14  1  10 o 74.43002 0.5063971 2838.751   38.62226 2927.300  76.60000 2748.700   77.90000 75.56660 0.9892374 73.22305 1.038224  2.343544       1.434050  
1 1 1 14  1  11 o 72.12150 0.4889143 2665.407   36.13232 2477.200  68.00000 2878.800   77.10000 69.51384 0.9546392 74.93475 1.004090  -5.420906      1.385472  
1 1 1 14  1  12 o 72.81074 0.5041946 2716.688   37.61768 2673.400  74.20000 2761.200   76.30000 72.20853 1.002806  73.38406 1.014669  -1.175522      1.426595  
1 1 1 14  1  13 o 3.552899 1.365402  4.251007   6.990604 9.400000  11.20000 -4.300000  18.60000 4.784630 1.750857  4.674383 2.044416  0.1102476      2.691679  
1 1 1 14  1  14 o 94.73231 0.5865981 4599.569   56.94258 4575.200  112.6000 4624.500   115.2000 94.43237 1.163641  94.93745 1.184177  -0.5050812     1.660222  
1 1 1 14  1  15 o 26.12827 0.3049770 349.8144   8.165374 317.7000  14.10000 394.0000   19.40000 24.89691 0.5526819 27.72320 0.6829045 -2.826290      0.8785305 
1 1 1 14  1  16 o 20.64844 0.3234704 218.4763   6.844161 252.6000  13.30000 182.3000   14.10000 22.19121 0.5853986 18.84194 0.7316804 3.349272       0.9370421 
1 1 1 14  2  0  o 70.77207 0.4705448 2566.385   34.12410 2602.200  67.90000 2530.200   68.60000 71.25716 0.9299141 70.26398 0.9527808 0.9931870      1.331365  
1 1 1 14  2  1  o 167.5002 0.9644231 14378.91   165.5318 14382.80  325.8000 14374.90   336.5000 167.4525 1.898721  167.4001 1.961693  0.5238342E-01  2.730088  
1 1 1 14  2  2  o 61.09547 0.4120101 1912.539   25.79380 2041.000  52.40000 1788.000   50.80000 63.10900 0.8102921 59.06772 0.8392959 4.041283       1.166615  
1 1 1 14  2  3  o 137.0354 0.8168522 9623.443   114.7030 9488.900  223.8000 9764.900   235.3000 136.0309 1.605551  137.9907 1.664079  -1.959778      2.312348  
1 1 1 14  2  4  o 99.91487 0.6603367 5115.578   67.60736 4560.900  111.1000 5977.800   172.7000 94.32812 1.149409  107.9698 1.560960  -13.64166      1.938488  
1 1 1 14  2  5  o 62.88276 0.4642294 2026.125   29.91319 2173.000  62.00000 1889.200   57.80000 65.11428 0.9292168 60.71352 0.9290606 4.400764       1.314001  
1 1 1 14  2  6  o 69.00558 0.4773123 2439.925   33.75089 2393.200  62.70000 2494.400   73.10000 68.33377 0.8954344 69.76020 1.022613  -1.426430      1.359242  
1 1 1 14  2  7  o 171.5676 1.003989  15088.00   176.5072 15110.20  347.6000 15065.10   358.6000 171.5840 1.976990  171.3178 2.042722  0.2662048      2.842746  
1 1 1 14  2  8  o 58.57372 0.4203056 1757.965   25.22705 1712.200  47.50000 1809.800   53.80000 57.79991 0.8019884 59.42253 0.8835533 -1.622623      1.193253  
1 1 1 14  2  9  o 98.30387 0.6303361 4952.223   63.49524 5014.300  124.3000 4887.400   129.8000 98.88930 1.226658  97.62539 1.297518  1.263908       1.785565  
1 1 1 14  2  10 o 31.64139 0.3104482 512.9844   10.06568 476.0000  18.70000 556.1000   21.80000 30.47708 0.5987837 32.94115 0.6458317 -2.464075      0.8807046 
1 1 1 14  2  11 f 49.15427 0.3693578 1238.028   18.60403 1292.600  38.50000 1187.000   36.00000 50.21885 0.7481620 48.12424 0.7300292 2.094604       1.045318  
1 1 1 14  2  12 o 59.12597 0.4137886 1791.357   25.07005 1695.700  47.90000 1896.400   52.60000 57.51483 0.8127506 60.82214 0.8439675 -3.307308      1.171685  
1 1 1 14  2  13 o 55.18504 0.3973882 1560.538   22.47164 1575.700  44.40000 1545.000   45.50000 55.44090 0.7815456 54.89706 0.8088424 0.5438385      1.124740  
1 1 1 14  2  14 f 60.34690 0.4191728 1866.209   25.92069 1770.200  46.80000 1985.400   58.10000 58.76060 0.7772510 62.22234 0.9112371 -3.461746      1.197695  
1 1 1 14  2  15 o 10.31674 0.5013692 54.67798   5.284404 45.10000  9.000000 68.30000   12.80000 9.328298 0.9550119 11.48476 1.101124  -2.156458      1.457574  
1 1 1 14  2  16 o 41.25840 0.3291003 872.2865   13.91358 823.2000  24.50000 936.8000   32.20000 40.07375 0.5966337 42.74393 0.7351620 -2.670185      0.9468024 
1 1 1 14  3  0  o 148.1476 0.8630427 11247.65   131.0163 11075.60  254.7000 11429.90   269.8000 146.9602 1.691339  149.2863 1.763695  -2.326096      2.443614  
1 1 1 14  3  1  o 53.76272 0.3975332 1480.995   21.90045 1433.800  40.00000 1538.100   48.40000 52.89581 0.7379728 54.78417 0.8621681 -1.888355      1.134873  
1 1 1 14  3  2  o 162.7128 0.9485248 13568.87   158.1498 13095.90  302.1000 14088.50   331.9000 159.7841 1.845095  165.7173 1.954524  -5.933167      2.687850  
1 1 1 14  3  3  o 108.4696 0.6645601 6029.100   73.86536 6309.900  151.0000 5760.200   144.6000 110.9409 1.328271  105.9983 1.331285  4.942673       1.880592  
1 1 1 14  3  4  o 78.30853 0.5104571 3142.163   40.96064 3174.000  78.80000 3107.700   85.30000 78.69405 0.9772056 77.86508 1.069074  0.8289719      1.448396  
1 1 1 14  3  5  o 169.7061 0.9774184 14761.49   169.9716 15149.90  347.4000 14389.40   332.8000 171.8230 1.973104  167.4593 1.939437  4.363724       2.766687  
1 1 1 14  3  6  o 72.68344 0.4790251 2706.967   35.67731 2728.900  69.60000 2683.900   73.20000 72.96710 0.9308587 72.36127 0.9872031 0.6058350      1.356860  
1 1 1 14  3  7  o 48.34275 0.3588163 1197.450   17.77468 1268.200  35.40000 1126.100   35.70000 49.74628 0.6944553 46.87573 0.7432275 2.870548       1.017180  
1 1 1 14  3  8  o 56.52668 0.4003934 1637.235   23.19203 1645.800  44.70000 1628.000   48.20000 56.66808 0.7697871 56.35929 0.8346091 0.3087845      1.135405  
1 1 1 14  3  9  o 63.75697 0.4304849 2082.907   28.12444 2250.700  56.50000 1916.600   56.00000 66.26558 0.8320742 61.14791 0.8937334 5.117664       1.221109  
1 1 1 14  3  10 f 19.69195 0.3283835 198.6899   6.626259 197.2000  10.90000 201.0000   16.90000 19.60929 0.5429809 19.78473 0.8354815 -0.1754436     0.9964225 
1 1 1 14  3  11 o 80.56706 0.5117589 3326.344   42.24947 3535.000  84.20000 3116.200   84.80000 83.03365 0.9895997 77.95581 1.061571  5.077843       1.451289  
1 1 1 14  3  12 o 65.47913 0.4277084 2197.061   28.69782 2272.300  56.90000 2120.500   57.90000 66.57623 0.8340549 64.31190 0.8785952 2.264328       1.211436  
1 1 1 14  3  13 o 18.22216 0.3217959 170.1430   6.008677 201.7000  11.10000 132.9000   13.10000 19.83070 0.5467657 16.08073 0.7974880 3.749966       0.9669229 
1 1 1 14  3  14 o 58.69809 0.3936109 1765.614   23.67497 1847.600  47.40000 1683.800   47.30000 60.02993 0.7705700 57.30534 0.8055040 2.724598       1.114726  
1 1 1 14  3  15 o 83.09998 0.6115116 3539.869   52.07197 3443.100  118.0000 3616.300   93.20000 81.86857 1.406587  83.94747 1.083453  -2.078903      1.775487  
1 1 1 14  3  16 o 14.18134 0.9202106 0.000000   0.000000 ?         ?        103.6000   13.30000 ?        ?         14.18134 0.9202106 0.000000       0.9202106 
1 1 1 14  4  0  o 43.38333 0.4125063 964.3607   18.33800 878.6000  24.10000 1237.300   76.70000 41.40830 0.5679777 49.09882 1.526349  -7.690514      1.628600  
1 1 1 14  4  1  o 66.07690 0.4215934 2237.148   28.54577 2267.000  53.50000 2203.000   61.20000 66.51117 0.7849840 65.56314 0.9109473 0.9480286      1.202508  
1 1 1 14  4  2  o 166.9107 0.9459540 14278.44   161.7903 14716.50  326.1000 13847.10   321.1000 169.3691 1.878963  164.2868 1.907389  5.082306       2.677431  
1 1 1 14  4  3  o 56.91470 0.3847495 1659.749   22.43887 1793.600  43.90000 1519.800   45.90000 59.16081 0.7241558 54.45674 0.8225508 4.704075       1.095898  
1 1 1 14  4  4  o 57.82201 0.3848836 1713.096   22.80452 1639.100  40.20000 1810.100   52.70000 56.55550 0.6936699 59.42910 0.8653924 -2.873596      1.109091  
1 1 1 14  4  5  o 65.70118 0.4130121 2211.812   27.80573 2203.400  52.20000 2221.400   59.50000 65.56970 0.7769068 65.83439 0.8819944 -0.2646866     1.175372  
1 1 1 14  4  6  o 48.21880 0.3367271 1191.310   16.63768 1141.600  28.00000 1264.100   41.00000 47.19956 0.5789242 49.66370 0.8056501 -2.464138      0.9920813 
1 1 1 14  4  7  o 58.39975 0.3922275 1747.532   23.47185 1612.800  39.20000 1948.600   58.50000 56.09875 0.6819217 61.65662 0.9259292 -5.557869      1.149940  
1 1 1 14  4  8  o 66.52926 0.4257999 2267.983   29.02797 2415.700  56.50000 2111.900   59.70000 68.65237 0.8031461 64.18713 0.9076700 4.465240       1.211985  
1 1 1 14  4  9  o 37.11026 0.2887340 705.6345   10.97970 669.1000  17.90000 763.6000   28.40000 36.13504 0.4834217 38.59903 0.7180317 -2.463989      0.8656015 
1 1 1 14  4  10 o 68.17844 0.4282789 2381.886   29.92073 2247.800  54.00000 2548.500   67.10000 66.22072 0.7957956 70.50515 0.9287595 -4.284431      1.223064  
1 1 1 14  4  11 o 63.62892 0.4183795 2074.635   27.27868 2179.100  52.40000 1961.200   56.90000 65.19908 0.7843168 61.84843 0.8978116 3.350647       1.192149  
1 1 1 14  4  12 o 83.16660 0.5098436 3544.696   43.44946 3488.500  80.00000 3611.500   95.10000 82.47853 0.9465655 83.90627 1.106083  -1.427742      1.455818  
1 1 1 14  4  13 o 50.22693 0.3983473 1292.769   20.50203 1336.000  47.80000 1260.300   35.90000 51.04001 0.9139422 49.58248 0.7065905 1.457531       1.155232  
1 1 1 14  4  14 o 45.51472 0.8104786 0.000000   0.000000 ?         ?        1062.300   37.80000 ?        ?         45.51472 0.8104786 0.000000       0.8104786 
1 1 1 14  4  15 o 40.01167 0.7414614 0.000000   0.000000 ?         ?        820.9000   30.40000 ?        ?         40.01167 0.7414614 0.000000       0.7414614 
1 1 1 14  5  0  o 94.72503 0.6516086 4597.998   63.24845 4600.100  146.5000 4596.400   111.3000 94.71295 1.509489  94.69236 1.147049  0.2059174E-01  1.895858  
1 1 1 14  5  1  o 244.5779 1.580521  30678.91   396.1100 30244.50  917.4000 31009.00   697.1000 242.2964 3.694991  245.6344 2.769539  -3.337982      4.617716  
1 1 1 14  5  2  o 88.63107 1.142913  0.000000   0.000000 ?         ?        4027.000   103.8000 ?        ?         88.63107 1.142913  0.000000       1.142913  
1 1 1 14  5  3  o 70.90820 0.9716500 0.000000   0.000000 ?         ?        2577.200   70.60000 ?        ?         70.90820 0.9716500 0.000000       0.9716500 
1 1 1 14  5  4  o 79.17874 1.089545  0.000000   0.000000 ?         ?        3213.900   88.40000 ?        ?         79.17874 1.089545  0.000000       1.089545  
1 1 1 14  5  5  o 77.34837 0.9866365 0.000000   0.000000 ?         ?        3066.800   78.20000 ?        ?         77.34837 0.9866365 0.000000       0.9866365 
1 1 1 14  5  6  o 101.0300 1.252827  0.000000   0.000000 ?         ?        5234.200   129.7000 ?        ?         101.0300 1.252827  0.000000       1.252827  
1 1 1 14  5  7  o 80.60676 1.108985  0.000000   0.000000 ?         ?        3331.500   91.60000 ?        ?         80.60676 1.108985  0.000000       1.108985  
1 1 1 14  5  8  o 54.03192 0.8380486 0.000000   0.000000 ?         ?        1496.500   46.40000 ?        ?         54.03192 0.8380486 0.000000       0.8380486 
1 1 1 14  5  9  o 66.42516 0.9446698 0.000000   0.000000 ?         ?        2262.200   64.30000 ?        ?         66.42516 0.9446698 0.000000       0.9446698 
1 1 1 14  5  10 o 93.18655 1.225277  0.000000   0.000000 ?         ?        4455.000   117.0000 ?        ?         93.18655 1.225277  0.000000       1.225277  
1 1 1 14  5  11 o 72.31009 1.101268  0.000000   0.000000 ?         ?        2682.300   81.60000 ?        ?         72.31009 1.101268  0.000000       1.101268  
1 1 1 14  5  12 f 41.62324 0.7291656 0.000000   0.000000 ?         ?        888.2000   31.10000 ?        ?         41.62324 0.7291656 0.000000       0.7291656 
1 1 1 14  5  13 o 34.56041 0.6409861 0.000000   0.000000 ?         ?        612.3000   22.70000 ?        ?         34.56041 0.6409861 0.000000       0.6409861 
1 1 1 14  5  14 o 68.48966 0.9988370 0.000000   0.000000 ?         ?        2406.900   70.10000 ?        ?         68.48966 0.9988370 0.000000       0.9988370 
1 1 1 14  6  0  o 91.11134 1.155715  0.000000   0.000000 ?         ?        4255.800   107.9000 ?        ?         91.11134 1.155715  0.000000       1.155715  
1 1 1 14  6  1  o 96.37101 1.183776  0.000000   0.000000 ?         ?        4761.600   116.9000 ?        ?         96.37101 1.183776  0.000000       1.183776  
1 1 1 14  6  2  o 109.6138 1.337230  0.000000   0.000000 ?         ?        6161.500   150.2000 ?        ?         109.6138 1.337230  0.000000       1.337230  
1 1 1 14  6  3  o 73.37634 0.9988160 0.000000   0.000000 ?         ?        2760.000   75.10000 ?        ?         73.37634 0.9988160 0.000000       0.9988160 
1 1 1 14  6  4  o 68.38541 0.9546942 0.000000   0.000000 ?         ?        2397.300   66.90000 ?        ?         68.38541 0.9546942 0.000000       0.9546942 
1 1 1 14  6  5  o 25.62041 0.8238236 0.000000   0.000000 ?         ?        336.8000   21.60000 ?        ?         25.62041 0.8238236 0.000000       0.8238236 
1 1 1 14  6  6  o 28.96251 0.6570526 0.000000   0.000000 ?         ?        429.9000   19.50000 ?        ?         28.96251 0.6570526 0.000000       0.6570526 
1 1 1 14  6  7  o 63.44822 0.8951694 0.000000   0.000000 ?         ?        2063.800   58.20000 ?        ?         63.44822 0.8951694 0.000000       0.8951694 
1 1 1 14  6  8  o 21.98163 0.7781538 0.000000   0.000000 ?         ?        248.0000   17.50000 ?        ?         21.98163 0.7781538 0.000000       0.7781538 
1 1 1 14  6  9  o 59.17913 0.8822401 0.000000   0.000000 ?         ?        1795.700   53.50000 ?        ?         59.17913 0.8822401 0.000000       0.8822401 
1 1 1 14  6  10 o 52.10968 0.7865613 0.000000   0.000000 ?         ?        1392.200   42.00000 ?        ?         52.10968 0.7865613 0.000000       0.7865613 
1 1 1 14  6  11 o 14.55658 0.9914241 0.000000   0.000000 ?         ?        109.2000   14.70000 ?        ?         14.55658 0.9914241 0.000000       0.9914241 
1 1 1 14  6  12 o 59.60794 0.8316894 0.000000   0.000000 ?         ?        1822.200   50.80000 ?        ?         59.60794 0.8316894 0.000000       0.8316894 
1 1 1 14  6  13 o 10.94038 1.272534  0.000000   0.000000 ?         ?        62.30000   14.00000 ?        ?         10.94038 1.272534  0.000000       1.272534  
1 1 1 14  7  0  o 104.3339 1.337556  0.000000   0.000000 ?         ?        5582.800   143.0000 ?        ?         104.3339 1.337556  0.000000       1.337556  
1 1 1 14  7  1  o 196.1272 2.217718  0.000000   0.000000 ?         ?        19765.30   445.7000 ?        ?         196.1272 2.217718  0.000000       2.217718  
1 1 1 14  7  2  o 119.2338 1.467515  0.000000   0.000000 ?         ?        7293.800   179.3000 ?        ?         119.2338 1.467515  0.000000       1.467515  
1 1 1 14  7  3  o 101.6944 1.363636  0.000000   0.000000 ?         ?        5305.200   142.1000 ?        ?         101.6944 1.363636  0.000000       1.363636  
1 1 1 14  7  4  o 48.82572 0.8114822 0.000000   0.000000 ?         ?        1222.000   40.60000 ?        ?         48.82572 0.8114822 0.000000       0.8114822 
1 1 1 14  7  5  f 8.468870 1.881128  0.000000   0.000000 ?         ?        38.30000   15.90000 ?        ?         8.468870 1.881128  0.000000       1.881128  
1 1 1 14  7  6  o 25.70861 0.7638376 0.000000   0.000000 ?         ?        339.1000   20.10000 ?        ?         25.70861 0.7638376 0.000000       0.7638376 
1 1 1 14  7  7  o 28.57640 0.7416877 0.000000   0.000000 ?         ?        418.9000   21.70000 ?        ?         28.57640 0.7416877 0.000000       0.7416877 
1 1 1 14  7  8  o 61.10019 0.8049884 0.000000   0.000000 ?         ?        1914.100   50.40000 ?        ?         61.10019 0.8049884 0.000000       0.8049884 
1 1 1 14  7  9  o 25.75302 0.7321023 0.000000   0.000000 ?         ?        340.3000   19.30000 ?        ?         25.75302 0.7321023 0.000000       0.7321023 
1 1 1 14  7  10 f 41.53799 0.7494571 0.000000   0.000000 ?         ?        884.7000   31.90000 ?        ?         41.53799 0.7494571 0.000000       0.7494571 
1 1 1 14  7  11 o 55.47341 0.8285862 0.000000   0.000000 ?         ?        1578.300   47.10000 ?        ?         55.47341 0.8285862 0.000000       0.8285862 
1 1 1 14  7  12 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 14  8  0  o 10.41238 1.383860  0.000000   0.000000 ?         ?        56.60000   14.40000 ?        ?         10.41238 1.383860  0.000000       1.383860  
1 1 1 14  8  1  o 77.97434 1.001244  0.000000   0.000000 ?         ?        3117.500   80.00000 ?        ?         77.97434 1.001244  0.000000       1.001244  
1 1 1 14  8  2  o 35.68820 0.6754201 0.000000   0.000000 ?         ?        652.8000   24.70000 ?        ?         35.68820 0.6754201 0.000000       0.6754201 
1 1 1 14  8  3  o 48.89230 0.7724531 0.000000   0.000000 ?         ?        1225.400   38.70000 ?        ?         48.89230 0.7724531 0.000000       0.7724531 
1 1 1 14  8  4  o 13.71257 1.193254  0.000000   0.000000 ?         ?        97.20000   16.60000 ?        ?         13.71257 1.193254  0.000000       1.193254  
1 1 1 14  8  5  o 41.14011 0.8278689 0.000000   0.000000 ?         ?        867.8000   34.90000 ?        ?         41.14011 0.8278689 0.000000       0.8278689 
1 1 1 14  8  6  o 58.68668 0.8181391 0.000000   0.000000 ?         ?        1766.000   49.20000 ?        ?         58.68668 0.8181391 0.000000       0.8181391 
1 1 1 14  8  7  o 78.05477 1.105235  0.000000   0.000000 ?         ?        3126.500   88.40000 ?        ?         78.05477 1.105235  0.000000       1.105235  
1 1 1 14  8  8  o 83.32983 1.048152  0.000000   0.000000 ?         ?        3563.300   89.50000 ?        ?         83.32983 1.048152  0.000000       1.048152  
1 1 1 14  8  9  o 19.09812 1.015407  0.000000   0.000000 ?         ?        187.7000   19.80000 ?        ?         19.09812 1.015407  0.000000       1.015407  
1 1 1 14  8  10 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 14  9  0  o 55.55846 0.8624480 0.000000   0.000000 ?         ?        1582.700   49.10000 ?        ?         55.55846 0.8624480 0.000000       0.8624480 
1 1 1 14  9  1  o 64.07957 0.9046248 0.000000   0.000000 ?         ?        2105.700   59.40000 ?        ?         64.07957 0.9046248 0.000000       0.9046248 
1 1 1 14  9  2  o 26.97527 0.7822554 0.000000   0.000000 ?         ?        373.4000   21.60000 ?        ?         26.97527 0.7822554 0.000000       0.7822554 
1 1 1 14  9  3  o 19.66482 0.9406640 0.000000   0.000000 ?         ?        198.8000   18.90000 ?        ?         19.66482 0.9406640 0.000000       0.9406640 
1 1 1 14  9  4  o 108.6647 1.315681  0.000000   0.000000 ?         ?        6064.000   146.5000 ?        ?         108.6647 1.315681  0.000000       1.315681  
1 1 1 14  9  5  o 23.86158 1.123763  0.000000   0.000000 ?         ?        292.9000   27.40000 ?        ?         23.86158 1.123763  0.000000       1.123763  
1 1 1 14  9  6  o 26.86558 0.9130839 0.000000   0.000000 ?         ?        370.7000   25.10000 ?        ?         26.86558 0.9130839 0.000000       0.9130839 
1 1 1 14  9  7  o 39.47634 1.158192  0.000000   0.000000 ?         ?        800.9000   46.80000 ?        ?         39.47634 1.158192  0.000000       1.158192  
1 1 1 14  10 0  o 36.27632 1.115051  0.000000   0.000000 ?         ?        676.1000   41.40000 ?        ?         36.27632 1.115051  0.000000       1.115051  
1 1 1 14  10 1  o 72.37991 1.365819  0.000000   0.000000 ?         ?        2691.800   101.3000 ?        ?         72.37991 1.365819  0.000000       1.365819  
1 1 1 14  10 2  f 78.57347 1.352551  0.000000   0.000000 ?         ?        3172.400   108.9000 ?        ?         78.57347 1.352551  0.000000       1.352551  
1 1 1 14  10 3  o 74.65768 1.418263  0.000000   0.000000 ?         ?        2865.400   108.5000 ?        ?         74.65768 1.418263  0.000000       1.418263  
1 1 1 14  10 4  f 35.32853 1.031455  0.000000   0.000000 ?         ?        641.2000   37.30000 ?        ?         35.32853 1.031455  0.000000       1.031455  
1 1 1 15  0  0  o 95.95299 1.193418  4720.600   117.3000 4720.600  117.3000 4720.600   117.3000 95.95299 1.193418  95.95299 1.193418  0.000000       0.000000  
1 1 1 15  0  1  o 378.7047 4.208508  73748.80   1632.700 73748.80  1632.700 73748.80   1632.700 378.7047 4.208508  378.7047 4.208508  0.000000       0.000000  
1 1 1 15  0  2  o 95.29703 1.205745  4656.500   117.7000 4656.500  117.7000 4656.500   117.7000 95.29703 1.205745  95.29703 1.205745  0.000000       0.000000  
1 1 1 15  0  3  o 88.42729 1.145980  4009.400   103.8000 4009.400  103.8000 4009.400   103.8000 88.42729 1.145980  88.42729 1.145980  0.000000       0.000000  
1 1 1 15  0  4  o 71.66776 0.9753761 2633.600   71.60000 2633.600  71.60000 2633.600   71.60000 71.66776 0.9753761 71.66776 0.9753761 0.000000       0.000000  
1 1 1 15  0  5  o 4.597588 2.183017  15.90000   11.70000 15.90000  11.70000 15.90000   11.70000 4.597588 2.183017  4.597588 2.183017  0.000000       0.000000  
1 1 1 15  0  6  o 49.21542 0.7697890 1242.100   38.80000 1242.100  38.80000 1242.100   38.80000 49.21542 0.7697890 49.21542 0.7697890 0.000000       0.000000  
1 1 1 15  0  7  o 75.68602 1.055187  2937.600   81.80000 2937.600  81.80000 2937.600   81.80000 75.68602 1.055187  75.68602 1.055187  0.000000       0.000000  
1 1 1 15  0  8  o 50.14437 0.7554980 1289.400   38.80000 1289.400  38.80000 1289.400   38.80000 50.14437 0.7554980 50.14437 0.7554980 0.000000       0.000000  
1 1 1 15  0  9  o 122.6502 1.493973  7717.000   187.7000 7717.000  187.7000 7717.000   187.7000 122.6502 1.493973  122.6502 1.493973  0.000000       0.000000  
1 1 1 15  0  10 f 118.0585 1.461964  7150.700   176.8000 7150.700  176.8000 7150.700   176.8000 118.0585 1.461964  118.0585 1.461964  0.000000       0.000000  
1 1 1 15  0  11 o 10.13089 1.256020  55.00000   12.50000 55.00000  12.50000 55.00000   12.50000 10.13089 1.256020  10.13089 1.256020  0.000000       0.000000  
1 1 1 15  0  12 o 30.00472 0.6413963 462.0000   19.70000 462.0000  19.70000 462.0000   19.70000 30.00472 0.6413963 30.00472 0.6413963 0.000000       0.000000  
1 1 1 15  0  13 o 113.8341 1.431332  6651.000   166.9000 6651.000  166.9000 6651.000   166.9000 113.8341 1.431332  113.8341 1.431332  0.000000       0.000000  
1 1 1 15  0  14 o 59.30060 0.8808709 1803.900   53.50000 1803.900  53.50000 1803.900   53.50000 59.30060 0.8808709 59.30060 0.8808709 0.000000       0.000000  
1 1 1 15  1  0  o 96.66380 0.6071891 4787.999   60.14315 4811.600  116.7000 4762.900   124.1000 96.88396 1.175494  96.38898 1.256452  0.4949799      1.720599  
1 1 1 15  1  1  o 44.97970 0.3550371 1036.626   16.36397 1062.000  31.90000 1009.900   33.60000 45.52392 0.6838371 44.39256 0.7386364 1.131363       1.006587  
1 1 1 15  1  2  o 119.3117 0.7349411 7295.048   89.85326 7136.400  175.7000 7461.100   183.9000 117.9700 1.453455  120.6215 1.487848  -2.651466      2.079958  
1 1 1 15  1  3  o 116.7709 0.7048426 6987.638   84.33837 6807.000  159.4000 7190.600   179.1000 115.2189 1.350101  118.4119 1.476053  -3.192978      2.000376  
1 1 1 15  1  4  o 60.95710 0.4308006 1903.942   26.90909 1909.900  51.80000 1897.500   56.00000 61.04548 0.8280905 60.84532 0.8981782 0.2001648      1.221662  
1 1 1 15  1  5  o 70.79427 0.4841972 2568.111   35.12519 2476.700  66.70000 2669.800   74.20000 69.51213 0.9364117 72.16883 1.003358  -2.656700      1.372441  
1 1 1 15  1  6  o 170.2241 1.000226  14853.95   174.4687 15339.40  359.7000 14396.70   338.8000 172.8397 2.030946  167.4546 1.974458  5.385162       2.832530  
1 1 1 15  1  7  o 92.07779 0.5699372 4344.713   53.77499 4373.100  107.5000 4316.300   107.6000 92.35189 1.135963  91.74965 1.144483  0.6022415      1.612531  
1 1 1 15  1  8  o 91.06635 0.5847116 4249.924   54.56297 4116.500  104.4000 4396.000   114.3000 89.59765 1.137118  92.58464 1.204783  -2.986992      1.656665  
1 1 1 15  1  9  o 81.16655 0.5293360 3376.079   44.02576 3129.200  82.20000 3660.800   94.80000 78.12018 1.026857  84.49118 1.094961  -6.371002      1.501125  
1 1 1 15  1  10 o 56.27122 0.4045056 1622.563   23.32433 1624.900  46.40000 1620.200   46.90000 56.30014 0.8042853 56.21827 0.8141360 0.8187103E-01  1.144418  
1 1 1 15  1  11 o 131.1502 0.7940432 8818.185   106.7115 8367.900  203.8000 9313.100   224.0000 127.6436 1.558141  134.6459 1.623516  -7.002266      2.250247  
1 1 1 15  1  12 f 92.53889 0.5803116 4389.188   55.02802 4356.700  107.9000 4423.000   112.3000 92.14474 1.142753  92.83858 1.180464  -0.6938400     1.642979  
1 1 1 15  1  13 o 36.23001 0.3151282 672.6068   11.69915 667.6000  23.20000 677.7000   23.60000 36.08803 0.6273739 36.35981 0.6334203 -0.2717819     0.8915263 
1 1 1 15  1  14 o 77.35910 0.5037961 3067.248   39.93600 3192.100  83.20000 2952.000   76.80000 78.87237 1.029438  75.85265 0.9880801 3.019722       1.426900  
1 1 1 15  2  0  o 113.0937 0.6779203 6554.205   78.56250 6423.300  151.4000 6695.400   163.3000 111.9315 1.320003  114.2734 1.394578  -2.341843      1.920223  
1 1 1 15  2  1  o 115.0366 0.6898867 6781.447   81.32278 6830.200  163.5000 6733.200   161.8000 115.4166 1.382456  114.5944 1.377897  0.8221893      1.951867  
1 1 1 15  2  2  o 82.10278 0.5250527 3454.096   44.17323 3333.100  83.10000 3591.400   94.30000 80.63947 1.005669  83.70229 1.099451  -3.062820      1.490021  
1 1 1 15  2  3  o 80.09055 0.5285685 3286.891   43.37914 3272.000  80.70000 3304.200   93.80000 79.89653 0.9857056 80.28279 1.140203  -0.3862610     1.507208  
1 1 1 15  2  4  o 89.18051 0.5545313 4075.410   50.67508 4290.000  105.4000 3876.700   97.60000 91.47763 1.124417  86.96089 1.095286  4.516739       1.569702  
1 1 1 15  2  5  o 34.59796 0.3264902 613.3283   11.57495 603.3000  23.10000 623.4000   23.20000 34.31110 0.6570206 34.87808 0.6491381 -0.5669785     0.9236104 
1 1 1 15  2  6  o 113.6296 0.6961672 6617.134   81.05939 6505.800  159.9000 6731.600   164.4000 112.6240 1.385540  114.5604 1.400454  -1.936432      1.970023  
1 1 1 15  2  7  o 37.10515 0.3369611 705.4519   12.81187 715.9000  24.30000 693.8000   27.10000 37.37558 0.6344830 36.79285 0.7187990 0.5827217      0.9587704 
1 1 1 15  2  8  o 16.42215 0.3604014 138.1871   6.064777 118.0000  10.70000 164.6000   14.00000 15.15777 0.6907054 17.90390 0.7648636 -2.746125      1.030578  
1 1 1 15  2  9  o 71.60300 0.4727124 2627.281   34.68379 2640.000  67.90000 2614.000   70.90000 71.75847 0.9234178 71.40183 0.9690329 0.3566360      1.338553  
1 1 1 15  2  10 o 77.45194 0.5115787 3074.235   40.60160 3237.000  83.20000 2919.100   79.30000 79.44736 1.021987  75.44511 1.025755  4.002251       1.447975  
1 1 1 15  2  11 o 30.83136 0.3120096 487.0775   9.857324 520.2000  18.50000 449.3000   21.10000 31.85867 0.5666901 29.60558 0.6955214 2.253092       0.8971554 
1 1 1 15  2  12 f 17.75595 0.3308495 161.5524   6.019672 195.9000  10.80000 118.3000   13.60000 19.54300 0.5398216 15.16281 0.8790770 4.380193       1.031593  
1 1 1 15  2  13 o 22.24420 0.2995724 253.5447   6.828369 245.4000  11.60000 265.2000   16.60000 21.88138 0.5173507 22.73213 0.7135227 -0.8507519     0.8813435 
1 1 1 15  2  14 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 15  3  0  o 52.93570 0.3622361 1435.784   19.64892 1437.800  37.00000 1433.500   41.90000 52.96925 0.6816785 52.88854 0.7731327 0.8070374E-01  1.030738  
1 1 1 15  3  1  o 117.7580 0.6859152 7106.194   82.76736 6892.500  156.8000 7345.100   175.3000 115.9421 1.319795  119.6806 1.429420  -3.738419      1.945533  
1 1 1 15  3  2  o 179.1781 1.019558  16456.71   187.1953 16402.60  368.1000 16512.70   380.9000 178.7615 2.009525  179.3500 2.072580  -0.5884705     2.886828  
1 1 1 15  3  3  o 47.41877 0.3468890 1152.110   16.85541 1202.000  32.60000 1098.700   34.90000 48.43099 0.6568949 46.30196 0.7355763 2.129032       0.9861965 
1 1 1 15  3  4  o 21.43701 0.3119000 235.4607   6.851379 233.7000  11.10000 238.3000   17.90000 21.35584 0.5072336 21.54749 0.8121494 -0.1916561     0.9575347 
1 1 1 15  3  5  o 150.5501 0.8844402 11617.73   136.4419 12153.80  277.2000 11098.10   268.7000 153.8845 1.757923  147.0457 1.783270  6.838852       2.504066  
1 1 1 15  3  6  o 72.83534 0.4678382 2718.385   34.91694 2714.500  67.10000 2722.600   72.80000 72.77010 0.8998521 72.87546 0.9748813 -0.1053543     1.326698  
1 1 1 15  3  7  o 41.88670 0.3431214 898.9910   14.72727 894.4000  27.00000 904.5000   32.40000 41.77566 0.6307279 42.00848 0.7526789 -0.2328186     0.9820098 
1 1 1 15  3  8  o 52.38327 0.3716652 1406.045   19.95000 1405.000  38.00000 1407.200   42.00000 52.35657 0.7082948 52.39535 0.7822728 -0.3877640E-01 1.055288  
1 1 1 15  3  9  f 74.39096 0.4676500 2835.905   35.64835 2868.100  69.40000 2801.900   73.30000 74.79243 0.9055313 73.92048 0.9677002 0.8719559      1.325304  
1 1 1 15  3  10 o 70.36106 0.4618914 2537.036   33.30202 2586.600  64.90000 2484.800   68.40000 71.02415 0.8917443 69.60811 0.9589543 1.416039       1.309504  
1 1 1 15  3  11 o 69.31037 0.4517712 2461.879   32.08597 2337.900  59.90000 2604.900   69.10000 67.52145 0.8657384 71.26692 0.9462190 -3.745468      1.282511  
1 1 1 15  3  12 o 50.49313 0.4125269 1306.560   21.34435 1254.600  46.30000 1351.000   39.60000 49.45756 0.9135870 51.33142 0.7528587 -1.873863      1.183823  
1 1 1 15  3  13 o 29.85398 0.6308945 0.000000   0.000000 ?         ?        456.9000   19.30000 ?        ?         29.85398 0.6308945 0.000000       0.6308945 
1 1 1 15  4  0  o 116.0949 0.6822950 6906.967   81.16779 6919.400  155.0000 6893.300   170.4000 116.1666 1.302123  115.9377 1.434321  0.2288971      1.937215  
1 1 1 15  4  1  o 129.4186 0.7415106 8583.727   98.33601 8519.200  190.2000 8652.800   203.6000 128.8845 1.440163  129.8829 1.529775  -0.9984131     2.101019  
1 1 1 15  4  2  o 140.0421 0.8007925 10051.35   114.9151 10564.50  235.2000 9561.100   224.7000 143.5039 1.599467  136.5183 1.606253  6.985626       2.266791  
1 1 1 15  4  3  o 90.44700 0.5478688 4192.054   50.77725 4163.500  95.60000 4224.400   108.3000 90.11974 1.035237  90.76952 1.164368  -0.6497803     1.558033  
1 1 1 15  4  4  o 32.31623 0.2970417 535.0965   9.836409 583.2000  17.30000 471.7000   22.80000 33.73594 0.5004433 30.33755 0.7334253 3.398384       0.8878943 
1 1 1 15  4  5  o 83.59451 0.5026327 3580.909   43.05532 3560.700  81.40000 3603.600   91.40000 83.34103 0.9531630 83.83567 1.063945  -0.4946442     1.428460  
1 1 1 15  4  6  o 19.35954 0.2586792 192.0342   5.131624 160.4000  7.600000 257.8000   15.80000 17.69259 0.4192024 22.41719 0.6886410 -4.724596      0.8061991 
1 1 1 15  4  7  o 62.35662 0.3987238 1992.448   25.47728 1970.200  46.20000 2019.800   56.80000 61.99864 0.7272127 62.76811 0.8831021 -0.7694702     1.143988  
1 1 1 15  4  8  o 89.02984 0.5369990 4062.091   48.99000 4271.900  96.60000 3846.200   99.40000 91.26890 1.032894  86.59490 1.120200  4.673996       1.523719  
1 1 1 15  4  9  o 57.88314 0.3921396 1716.881   23.25901 1695.600  40.80000 1745.100   54.10000 57.51380 0.6922926 58.33724 0.9050093 -0.8234367     1.139434  
1 1 1 15  4  10 o 13.93075 1.181005  0.000000   0.000000 ?         ?        100.3000   16.70000 ?        ?         13.93075 1.181005  0.000000       1.181005  
1 1 1 15  4  11 f 37.08912 0.6683266 0.000000   0.000000 ?         ?        705.2000   25.40000 ?        ?         37.08912 0.6683266 0.000000       0.6683266 
1 1 1 15  4  12 f 90.54728 1.197403  0.000000   0.000000 ?         ?        4209.300   111.1000 ?        ?         90.54728 1.197403  0.000000       1.197403  
1 1 1 15  5  0  o 66.59196 0.4960638 2272.309   33.84993 2372.000  77.50000 2195.000   60.10000 68.01965 1.111908  65.43994 0.8962582 2.579704       1.428152  
1 1 1 15  5  1  o 138.3797 0.9251209 9815.630   131.1805 10248.00  314.6000 9506.400   225.0000 141.2440 2.173653  136.1170 1.613139  5.127060       2.706840  
1 1 1 15  5  2  o 29.56335 0.8095114 0.000000   0.000000 ?         ?        448.3000   24.50000 ?        ?         29.56335 0.8095114 0.000000       0.8095114 
1 1 1 15  5  3  o 54.10717 0.8260613 0.000000   0.000000 ?         ?        1500.600   45.80000 ?        ?         54.10717 0.8260613 0.000000       0.8260613 
1 1 1 15  5  4  o 74.12173 0.9756055 0.000000   0.000000 ?         ?        2816.700   74.10000 ?        ?         74.12173 0.9756055 0.000000       0.9756055 
1 1 1 15  5  5  o 123.1523 1.495309  0.000000   0.000000 ?         ?        7783.500   188.7000 ?        ?         123.1523 1.495309  0.000000       1.495309  
1 1 1 15  5  6  o 12.42106 1.415899  0.000000   0.000000 ?         ?        80.20000   17.70000 ?        ?         12.42106 1.415899  0.000000       1.415899  
1 1 1 15  5  7  o 54.95049 0.7974004 0.000000   0.000000 ?         ?        1548.000   44.90000 ?        ?         54.95049 0.7974004 0.000000       0.7974004 
1 1 1 15  5  8  o 29.35746 0.6914271 0.000000   0.000000 ?         ?        441.8000   20.80000 ?        ?         29.35746 0.6914271 0.000000       0.6914271 
1 1 1 15  5  9  o 54.54013 0.7944534 0.000000   0.000000 ?         ?        1525.200   44.40000 ?        ?         54.54013 0.7944534 0.000000       0.7944534 
1 1 1 15  5  10 x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 15  5  11 f 99.97723 1.195740  0.000000   0.000000 ?         ?        5131.900   122.5000 ?        ?         99.97723 1.195740  0.000000       1.195740  
1 1 1 15  6  0  o 62.12856 0.9126126 0.000000   0.000000 ?         ?        1978.700   58.10000 ?        ?         62.12856 0.9126126 0.000000       0.9126126 
1 1 1 15  6  1  o 19.38615 0.9238738 0.000000   0.000000 ?         ?        193.1000   18.30000 ?        ?         19.38615 0.9238738 0.000000       0.9238738 
1 1 1 15  6  2  o 36.33631 0.6875445 0.000000   0.000000 ?         ?        676.7000   25.60000 ?        ?         36.33631 0.6875445 0.000000       0.6875445 
1 1 1 15  6  3  o 66.08015 0.9244957 0.000000   0.000000 ?         ?        2238.700   62.60000 ?        ?         66.08015 0.9244957 0.000000       0.9244957 
1 1 1 15  6  4  o 142.6822 1.729739  0.000000   0.000000 ?         ?        10456.70   252.9000 ?        ?         142.6822 1.729739  0.000000       1.729739  
1 1 1 15  6  5  o 26.18473 0.7798012 0.000000   0.000000 ?         ?        351.8000   20.90000 ?        ?         26.18473 0.7798012 0.000000       0.7798012 
1 1 1 15  6  6  o 99.57373 1.200585  0.000000   0.000000 ?         ?        5087.600   122.5000 ?        ?         99.57373 1.200585  0.000000       1.200585  
1 1 1 15  6  7  o 26.03662 0.7203370 0.000000   0.000000 ?         ?        347.8000   19.20000 ?        ?         26.03662 0.7203370 0.000000       0.7203370 
1 1 1 15  6  8  o 22.97094 0.7999153 0.000000   0.000000 ?         ?        270.9000   18.80000 ?        ?         22.97094 0.7999153 0.000000       0.7999153 
1 1 1 15  6  9  f 28.17925 0.6683893 0.000000   0.000000 ?         ?        407.1000   19.30000 ?        ?         28.17925 0.6683893 0.000000       0.6683893 
1 1 1 15  6  10 o 40.74403 0.6538834 0.000000   0.000000 ?         ?        851.1000   27.30000 ?        ?         40.74403 0.6538834 0.000000       0.6538834 
1 1 1 15  7  0  o 62.95676 0.8463537 0.000000   0.000000 ?         ?        2031.900   54.60000 ?        ?         62.95676 0.8463537 0.000000       0.8463537 
1 1 1 15  7  1  o 25.41556 0.7495683 0.000000   0.000000 ?         ?        331.4000   19.50000 ?        ?         25.41556 0.7495683 0.000000       0.7495683 
1 1 1 15  7  2  o 76.11325 1.052651  0.000000   0.000000 ?         ?        2971.200   82.10000 ?        ?         76.11325 1.052651  0.000000       1.052651  
1 1 1 15  7  3  o 84.96144 1.072819  0.000000   0.000000 ?         ?        3702.700   93.40000 ?        ?         84.96144 1.072819  0.000000       1.072819  
1 1 1 15  7  4  o 74.27737 0.9446566 0.000000   0.000000 ?         ?        2829.500   71.90000 ?        ?         74.27737 0.9446566 0.000000       0.9446566 
1 1 1 15  7  5  o 55.46493 0.8357508 0.000000   0.000000 ?         ?        1577.500   47.50000 ?        ?         55.46493 0.8357508 0.000000       0.8357508 
1 1 1 15  7  6  o 57.14631 0.8538537 0.000000   0.000000 ?         ?        1674.800   50.00000 ?        ?         57.14631 0.8538537 0.000000       0.8538537 
1 1 1 15  7  7  o 28.78734 0.7119006 0.000000   0.000000 ?         ?        424.9000   21.00000 ?        ?         28.78734 0.7119006 0.000000       0.7119006 
1 1 1 15  7  8  o 31.64959 0.6906874 0.000000   0.000000 ?         ?        513.6000   22.40000 ?        ?         31.64959 0.6906874 0.000000       0.6906874 
1 1 1 15  7  9  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 15  8  0  o 42.69059 0.8526646 0.000000   0.000000 ?         ?        934.5000   37.30000 ?        ?         42.69059 0.8526646 0.000000       0.8526646 
1 1 1 15  8  1  o 15.16340 1.108180  0.000000   0.000000 ?         ?        118.6000   17.10000 ?        ?         15.16340 1.108180  0.000000       1.108180  
1 1 1 15  8  2  o 55.63254 0.8384953 0.000000   0.000000 ?         ?        1587.100   47.80000 ?        ?         55.63254 0.8384953 0.000000       0.8384953 
1 1 1 15  8  3  o 21.33414 0.7835398 0.000000   0.000000 ?         ?        233.7000   17.10000 ?        ?         21.33414 0.7835398 0.000000       0.7835398 
1 1 1 15  8  4  o 47.41397 0.6915674 0.000000   0.000000 ?         ?        1152.600   33.60000 ?        ?         47.41397 0.6915674 0.000000       0.6915674 
1 1 1 15  8  5  o 42.03988 1.039964  0.000000   0.000000 ?         ?        907.0000   44.80000 ?        ?         42.03988 1.039964  0.000000       1.039964  
1 1 1 15  8  6  o 52.67557 1.035629  0.000000   0.000000 ?         ?        1424.100   55.90000 ?        ?         52.67557 1.035629  0.000000       1.035629  
1 1 1 15  9  0  o 39.81917 0.9705202 0.000000   0.000000 ?         ?        813.5000   39.60000 ?        ?         39.81917 0.9705202 0.000000       0.9705202 
1 1 1 15  9  1  o 71.47609 1.267036  0.000000   0.000000 ?         ?        2624.000   92.80000 ?        ?         71.47609 1.267036  0.000000       1.267036  
1 1 1 15  9  2  o 64.90646 1.163737  0.000000   0.000000 ?         ?        2163.200   77.40000 ?        ?         64.90646 1.163737  0.000000       1.163737  
1 1 1 15  9  3  o 69.35125 1.343850  0.000000   0.000000 ?         ?        2471.700   95.50000 ?        ?         69.35125 1.343850  0.000000       1.343850  
1 1 1 16  0  0  o 6.009660 2.200396  24.70000   12.50000 24.70000  12.50000 24.70000   12.50000 6.009660 2.200396  6.009660 2.200396  0.000000       0.000000  
1 1 1 16  0  1  o 28.00590 0.6279395 402.5000   18.00000 402.5000  18.00000 402.5000   18.00000 28.00590 0.6279395 28.00590 0.6279395 0.000000       0.000000  
1 1 1 16  0  2  o 11.06250 1.330031  65.40000   14.50000 65.40000  14.50000 65.40000   14.50000 11.06250 1.330031  11.06250 1.330031  0.000000       0.000000  
1 1 1 16  0  3  o 40.19769 0.6753388 828.7000   27.80000 828.7000  27.80000 828.7000   27.80000 40.19769 0.6753388 40.19769 0.6753388 0.000000       0.000000  
1 1 1 16  0  4  o 127.6206 1.529859  8354.600   200.0000 8354.600  200.0000 8354.600   200.0000 127.6206 1.529859  127.6206 1.529859  0.000000       0.000000  
1 1 1 16  0  5  o 136.7376 1.657753  9593.100   232.2000 9593.100  232.2000 9593.100   232.2000 136.7376 1.657753  136.7376 1.657753  0.000000       0.000000  
1 1 1 16  0  6  o 98.66929 1.255566  4993.600   126.9000 4993.600  126.9000 4993.600   126.9000 98.66929 1.255566  98.66929 1.255566  0.000000       0.000000  
1 1 1 16  0  7  o 68.18922 0.9936954 2384.900   69.40000 2384.900  69.40000 2384.900   69.40000 68.18922 0.9936954 68.18922 0.9936954 0.000000       0.000000  
1 1 1 16  0  8  o 30.09461 0.6589907 464.8000   20.30000 464.8000  20.30000 464.8000   20.30000 30.09461 0.6589907 30.09461 0.6589907 0.000000       0.000000  
1 1 1 16  0  9  o 48.63113 0.7609677 1213.000   37.90000 1213.000  37.90000 1213.000   37.90000 48.63113 0.7609677 48.63113 0.7609677 0.000000       0.000000  
1 1 1 16  0  10 o 15.11772 0.7071634 117.9000   10.90000 117.9000  10.90000 117.9000   10.90000 15.11772 0.7071634 15.11772 0.7071634 0.000000       0.000000  
1 1 1 16  0  11 o 28.90217 0.5779086 428.6000   17.10000 428.6000  17.10000 428.6000   17.10000 28.90217 0.5779086 28.90217 0.5779086 0.000000       0.000000  
1 1 1 16  1  0  o 188.0217 1.073090  18123.06   206.7486 17983.60  405.7000 18268.00   421.6000 187.1432 2.115595  188.6040 2.181480  -1.460831      3.038848  
1 1 1 16  1  1  f 99.07170 0.6026555 5029.804   61.18108 5327.200  128.0000 4757.500   117.2000 101.9278 1.225515  96.32594 1.187370  5.601898       1.706381  
1 1 1 16  1  2  o 92.49175 0.5816796 4383.873   55.12965 4739.600  121.1000 4086.600   101.2000 96.13913 1.229265  89.27829 1.106207  6.860840       1.653719  
1 1 1 16  1  3  o 65.79745 0.4303115 2218.378   29.01286 2110.100  54.00000 2344.100   62.70000 64.16204 0.8213291 67.62319 0.9048435 -3.461151      1.222016  
1 1 1 16  1  4  o 55.83243 0.4017884 1597.304   22.98700 1529.000  43.30000 1674.600   49.00000 54.61776 0.7736698 57.15723 0.8366167 -2.539474      1.139514  
1 1 1 16  1  5  o 77.42475 0.5101609 3071.921   40.47486 3056.200  80.80000 3087.700   81.10000 77.20448 1.021340  77.60141 1.019889  -0.3969345     1.443367  
1 1 1 16  1  6  o 72.58166 0.4821579 2699.627   35.86035 2604.000  70.30000 2799.200   73.20000 71.26453 0.9626834 73.88708 0.9668168 -2.622551      1.364366  
1 1 1 16  1  7  o 92.53361 0.5882130 4388.403   55.77409 4524.600  112.0000 4253.300   111.1000 93.91472 1.163821  91.05291 1.190753  2.861809       1.665044  
1 1 1 16  1  8  o 40.08507 0.3328938 823.3489   13.67372 919.9000  28.60000 734.9000   26.20000 42.36310 0.6588399 37.86401 0.6752682 4.499092       0.9434285 
1 1 1 16  1  9  o 23.72490 0.3119323 288.4211   7.583386 239.5000  12.90000 358.2000   18.40000 21.60846 0.5831290 26.42512 0.6800855 -4.816662      0.8958548 
1 1 1 16  1  10 o 13.02030 0.3926122 86.95451   5.232227 77.40000  9.600000 98.40000   11.50000 12.26229 0.7678686 13.82846 0.8151855 -1.566175      1.119888  
1 1 1 16  1  11 o 25.93252 0.2975387 344.5981   7.906542 301.2000  14.10000 400.0000   18.00000 24.24059 0.5676460 27.93335 0.6288560 -3.692757      0.8471611 
1 1 1 16  2  0  o 70.89412 0.4673356 2575.364   33.94982 2502.600  66.10000 2652.200   69.80000 69.87381 0.9231848 71.93111 0.9469789 -2.057297      1.322513  
1 1 1 16  2  1  o 142.7356 0.8353763 10442.46   122.1836 10375.80  238.8000 10512.30   250.2000 142.2001 1.638838  143.1234 1.705997  -0.9233093     2.365632  
1 1 1 16  2  2  o 169.0140 0.9587154 14643.72   166.0392 15032.00  339.8000 14272.70   324.7000 171.0954 1.938147  166.7253 1.900563  4.370026       2.714508  
1 1 1 16  2  3  o 79.48420 0.5187258 3237.463   42.24905 3355.700  84.10000 3118.100   84.90000 80.90295 1.014456  77.98373 1.062442  2.919220       1.468981  
1 1 1 16  2  4  o 85.35068 0.5432122 3733.119   47.50889 3867.600  96.80000 3603.500   93.30000 86.84748 1.087727  83.82996 1.086136  3.017525       1.537153  
1 1 1 16  2  5  o 111.3880 0.6634151 6359.051   75.72202 6295.700  150.5000 6423.200   152.4000 110.7757 1.325848  111.8914 1.329199  -1.115715      1.877403  
1 1 1 16  2  6  o 49.25220 0.3679943 1242.998   18.57227 1336.600  36.70000 1147.100   37.60000 51.06512 0.7013637 47.30463 0.7756857 3.760487       1.045753  
1 1 1 16  2  7  o 53.71700 0.3941789 1478.625   21.69719 1323.700  37.60000 1690.000   51.30000 50.81586 0.7220880 57.41124 0.8720111 -6.595379      1.132172  
1 1 1 16  2  8  o 50.60150 0.3688408 1312.079   19.12497 1290.000  38.30000 1334.100   38.20000 50.16242 0.7451126 51.01324 0.7307723 -0.8508186     1.043658  
1 1 1 16  2  9  o 32.74432 0.3093186 549.4040   10.37864 482.3000  17.90000 642.0000   24.70000 30.67520 0.5694653 35.38823 0.6811453 -4.713030      0.8878343 
1 1 1 16  2  10 o 31.76308 0.3552804 516.9971   11.56358 529.3000  24.50000 506.0000   21.90000 32.12943 0.7441571 31.41624 0.6802859 0.7131901      1.008245  
1 1 1 16  2  11 o 61.48226 0.8745877 0.000000   0.000000 ?         ?        1938.900   55.10000 ?        ?         61.48226 0.8745877 0.000000       0.8745877 
1 1 1 16  3  0  o 4.008608 1.222356  8.253688   5.476639 8.900000  8.300000 7.000000   16.10000 4.391108 1.517348  5.146608 2.044260  -0.7555003     2.545848  
1 1 1 16  3  1  o 25.87165 0.2879853 342.9561   7.634713 325.1000  13.10000 367.9000   18.30000 25.18780 0.5075546 26.79304 0.6665470 -1.605238      0.8377926 
1 1 1 16  3  2  o 25.30581 0.2960371 328.1206   7.676528 368.5000  13.80000 277.5000   17.30000 26.81631 0.5022058 23.25740 0.7268085 3.558910       0.8834372 
1 1 1 16  3  3  o 53.59866 0.3818865 1472.044   20.97426 1633.500  42.20000 1312.500   41.70000 56.45393 0.7294909 50.60189 0.8042127 5.852036       1.085778  
1 1 1 16  3  4  o 50.09458 0.3564062 1285.856   18.29508 1361.200  36.00000 1208.000   37.20000 51.53464 0.6817182 48.54629 0.7478053 2.988354       1.011905  
1 1 1 16  3  5  o 68.00350 0.4568041 2369.781   31.83169 2475.100  61.40000 2256.400   66.10000 69.48238 0.8623735 66.33595 0.9724205 3.146423       1.299727  
1 1 1 16  3  6  o 57.80426 0.3817795 1712.179   22.61366 1668.500  42.60000 1761.600   48.20000 57.05155 0.7286915 58.61845 0.8024433 -1.566898      1.083931  
1 1 1 16  3  7  o 27.26210 0.2952899 380.8271   8.249096 398.8000  15.30000 359.8000   17.90000 27.89501 0.5352622 26.49384 0.6593406 1.401171       0.8492559 
1 1 1 16  3  8  o 40.72403 0.3846946 849.8600   16.05334 880.1000  34.40000 823.4000   30.10000 41.42953 0.8103079 40.07566 0.7329721 1.353870       1.092633  
1 1 1 16  3  9  o 9.363286 1.172086  0.000000   0.000000 ?         ?        45.70000   11.00000 ?        ?         9.363286 1.172086  0.000000       1.172086  
1 1 1 16  3  10 o 43.43988 0.6964255 0.000000   0.000000 ?         ?        967.5000   31.00000 ?        ?         43.43988 0.6964255 0.000000       0.6964255 
1 1 1 16  4  0  o 32.44681 0.2874269 539.4306   9.556478 611.6000  17.40000 451.5000   21.20000 34.54742 0.4915133 29.68085 0.6970455 4.866564       0.8529114 
1 1 1 16  4  1  o 56.94603 0.3742539 1661.641   21.83877 1702.600  41.10000 1615.200   46.60000 57.63679 0.6958949 56.13464 0.8101336 1.502151       1.067982  
1 1 1 16  4  2  o 54.69621 0.3669590 1532.943   20.56710 1457.000  36.10000 1633.500   47.80000 53.31820 0.6607441 56.45023 0.8263495 -3.132030      1.058034  
1 1 1 16  4  3  o 54.16205 0.3676544 1503.162   20.40484 1528.200  36.80000 1472.000   45.80000 54.60477 0.6576864 53.58566 0.8341007 1.019112       1.062203  
1 1 1 16  4  4  o 44.61747 0.3276451 1020.046   14.97983 1142.100  28.90000 888.7000   31.10000 47.20618 0.5974486 41.63809 0.7289056 5.568096       0.9424691 
1 1 1 16  4  5  o 68.49493 0.4367629 2404.184   30.65509 2265.500  52.90000 2595.300   72.90000 66.47643 0.7765861 71.13672 1.000081  -4.660286      1.266195  
1 1 1 16  4  6  o 61.19406 0.4572888 1919.051   28.67465 1874.600  61.40000 1958.000   53.80000 60.45553 0.9911377 61.79454 0.8496377 -1.339016      1.305465  
1 1 1 16  4  7  o 56.68528 0.8039855 0.000000   0.000000 ?         ?        1647.600   46.70000 ?        ?         56.68528 0.8039855 0.000000       0.8039855 
1 1 1 16  4  8  o 64.76367 0.8784939 0.000000   0.000000 ?         ?        2151.200   58.30000 ?        ?         64.76367 0.8784939 0.000000       0.8784939 
1 1 1 16  4  9  o 31.82533 0.6930062 0.000000   0.000000 ?         ?        519.3000   22.60000 ?        ?         31.82533 0.6930062 0.000000       0.6930062 
1 1 1 16  5  0  f 92.75281 0.6647552 4409.297   63.18110 4287.700  136.0000 4514.800   118.0000 91.40669 1.451986  93.81772 1.227436  -2.411026      1.901279  
1 1 1 16  5  1  o 51.25845 0.4133546 1346.356   21.71134 1395.300  46.80000 1304.000   40.50000 52.16915 0.8754547 50.43660 0.7836297 1.732555       1.174945  
1 1 1 16  5  2  o 18.62053 0.8248758 0.000000   0.000000 ?         ?        178.1000   15.70000 ?        ?         18.62053 0.8248758 0.000000       0.8248758 
1 1 1 16  5  3  o 51.58852 0.8380160 0.000000   0.000000 ?         ?        1364.500   44.30000 ?        ?         51.58852 0.8380160 0.000000       0.8380160 
1 1 1 16  5  4  o 67.46020 0.9692344 0.000000   0.000000 ?         ?        2334.000   67.00000 ?        ?         67.46020 0.9692344 0.000000       0.9692344 
1 1 1 16  5  5  o 50.00087 0.7650859 0.000000   0.000000 ?         ?        1281.800   39.20000 ?        ?         50.00087 0.7650859 0.000000       0.7650859 
1 1 1 16  5  6  o 54.62892 0.7735118 0.000000   0.000000 ?         ?        1530.200   43.30000 ?        ?         54.62892 0.7735118 0.000000       0.7735118 
1 1 1 16  5  7  o 41.78429 0.7333617 0.000000   0.000000 ?         ?        895.2000   31.40000 ?        ?         41.78429 0.7333617 0.000000       0.7333617 
1 1 1 16  5  8  o 56.89446 0.8319043 0.000000   0.000000 ?         ?        1660.200   48.50000 ?        ?         56.89446 0.8319043 0.000000       0.8319043 
1 1 1 16  6  0  o 56.83079 0.8431395 0.000000   0.000000 ?         ?        1655.900   49.10000 ?        ?         56.83079 0.8431395 0.000000       0.8431395 
1 1 1 16  6  1  o 113.2790 1.382698  0.000000   0.000000 ?         ?        6587.600   160.5000 ?        ?         113.2790 1.382698  0.000000       1.382698  
1 1 1 16  6  2  o 41.10157 0.6933078 0.000000   0.000000 ?         ?        866.0000   29.20000 ?        ?         41.10157 0.6933078 0.000000       0.6933078 
1 1 1 16  6  3  f 35.91968 0.7552904 0.000000   0.000000 ?         ?        661.5000   27.80000 ?        ?         35.91968 0.7552904 0.000000       0.7552904 
1 1 1 16  6  4  o 40.99281 0.6927666 0.000000   0.000000 ?         ?        861.5000   29.10000 ?        ?         40.99281 0.6927666 0.000000       0.6927666 
1 1 1 16  6  5  o 6.422932 2.126879  0.000000   0.000000 ?         ?        20.20000   16.30000 ?        ?         6.422932 2.126879  0.000000       2.126879  
1 1 1 16  6  6  o 44.68603 0.6813723 0.000000   0.000000 ?         ?        1023.800   31.20000 ?        ?         44.68603 0.6813723 0.000000       0.6813723 
1 1 1 16  6  7  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 16  7  0  o 50.40102 0.7454577 0.000000   0.000000 ?         ?        1302.400   38.50000 ?        ?         50.40102 0.7454577 0.000000       0.7454577 
1 1 1 16  7  1  o 38.56981 0.7135152 0.000000   0.000000 ?         ?        762.7000   28.20000 ?        ?         38.56981 0.7135152 0.000000       0.7135152 
1 1 1 16  7  2  o 29.69510 0.6999974 0.000000   0.000000 ?         ?        452.1000   21.30000 ?        ?         29.69510 0.6999974 0.000000       0.6999974 
1 1 1 16  7  3  o 31.64389 0.6938958 0.000000   0.000000 ?         ?        513.4000   22.50000 ?        ?         31.64389 0.6938958 0.000000       0.6938958 
1 1 1 16  7  4  o 38.31989 0.6876084 0.000000   0.000000 ?         ?        752.9000   27.00000 ?        ?         38.31989 0.6876084 0.000000       0.6876084 
1 1 1 16  7  5  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 16  8  0  o 64.00483 1.170982  0.000000   0.000000 ?         ?        2103.400   76.80000 ?        ?         64.00483 1.170982  0.000000       1.170982  
1 1 1 16  8  1  o 35.30890 0.8962179 0.000000   0.000000 ?         ?        640.0000   32.40000 ?        ?         35.30890 0.8962179 0.000000       0.8962179 
1 1 1 16  8  2  o 62.96052 1.156304  0.000000   0.000000 ?         ?        2035.500   74.60000 ?        ?         62.96052 1.156304  0.000000       1.156304  
1 1 1 17  0  0  o 9.708244 1.414433  51.30000   13.20000 51.30000  13.20000 51.30000   13.20000 9.708244 1.414433  9.708244 1.414433  0.000000       0.000000  
1 1 1 17  0  1  o 109.2927 1.350553  6127.200   151.2000 6127.200  151.2000 6127.200   151.2000 109.2927 1.350553  109.2927 1.350553  0.000000       0.000000  
1 1 1 17  0  2  o 21.00086 0.6707063 226.7000   14.40000 226.7000  14.40000 226.7000   14.40000 21.00086 0.6707063 21.00086 0.6707063 0.000000       0.000000  
1 1 1 17  0  3  o 63.90608 0.9441948 2094.700   61.80000 2094.700  61.80000 2094.700   61.80000 63.90608 0.9441948 63.90608 0.9441948 0.000000       0.000000  
1 1 1 17  0  4  o 89.15263 1.123492  4076.900   102.6000 4076.900  102.6000 4076.900   102.6000 89.15263 1.123492  89.15263 1.123492  0.000000       0.000000  
1 1 1 17  0  5  f 26.33359 0.5899035 355.9000   15.90000 355.9000  15.90000 355.9000   15.90000 26.33359 0.5899035 26.33359 0.5899035 0.000000       0.000000  
1 1 1 17  0  6  o 29.29895 0.5667155 440.4000   17.00000 440.4000  17.00000 440.4000   17.00000 29.29895 0.5667155 29.29895 0.5667155 0.000000       0.000000  
1 1 1 17  0  7  o 62.90530 0.8644789 2029.600   55.70000 2029.600  55.70000 2029.600   55.70000 62.90530 0.8644789 62.90530 0.8644789 0.000000       0.000000  
1 1 1 17  0  8  o 2.122698 1.428942  -3.900000  8.900000 -3.900000 8.900000 -3.900000  8.900000 2.122698 1.428942  2.122698 1.428942  0.000000       0.000000  
1 1 1 17  1  0  o 120.3088 0.7188886 7418.778   88.62527 6954.100  165.8000 7952.400   190.4000 116.4182 1.389842  124.4804 1.492682  -8.062248      2.039549  
1 1 1 17  1  1  o 43.95631 0.3466383 990.0408   15.61335 964.4000  28.80000 1020.400   34.10000 43.37813 0.6479229 44.61732 0.7458517 -1.239193      0.9879771 
1 1 1 17  1  2  o 141.7473 0.8281927 10300.57   120.2941 9853.100  230.5000 10789.00   251.6000 138.5148 1.623964  144.9291 1.694169  -6.414322      2.346800  
1 1 1 17  1  3  f 43.18111 0.3438159 955.4459   15.21311 922.5000  29.00000 991.8000   32.00000 42.42335 0.6671057 43.98670 0.7099540 -1.563347      0.9741995 
1 1 1 17  1  4  o 17.64132 0.3470373 159.4727   6.273438 137.0000  11.00000 189.3000   14.60000 16.33518 0.6585087 19.20166 0.7434247 -2.866484      0.9931333 
1 1 1 17  1  5  o 56.38762 0.4044137 1629.367   23.36727 1627.600  45.90000 1631.200   47.60000 56.34159 0.7950331 56.40234 0.8235907 -0.6074905E-01 1.144718  
1 1 1 17  1  6  o 44.04987 0.3458402 994.3157   15.61056 1053.100  32.20000 939.0000   30.30000 45.32281 0.6933311 42.79724 0.6909212 2.525570       0.9788157 
1 1 1 17  1  7  o 28.48371 0.3006413 415.7345   8.774929 410.3000  17.50000 421.2000   17.60000 28.29155 0.6036469 28.66499 0.5991872 -0.3734398     0.8505380 
1 1 1 17  1  8  o 27.24635 0.3393874 380.4159   9.475505 449.4000  23.90000 335.1000   15.70000 29.59237 0.7888736 25.56750 0.5992569 4.024866       0.9906716 
1 1 1 17  2  0  o 36.04955 0.3134384 665.8893   11.57845 671.2000  22.20000 660.1000   24.20000 36.18928 0.5986524 35.88772 0.6580685 0.3015556      0.8896285 
1 1 1 17  2  1  o 47.00642 0.3542166 1132.217   17.06178 1264.600  35.10000 1007.000   33.20000 49.67107 0.6896126 44.32316 0.7309859 5.347912       1.004941  
1 1 1 17  2  2  o 73.27850 0.4719657 2751.776   35.43932 2719.000  68.70000 2786.700   73.20000 72.81923 0.9206875 73.71702 0.9690471 -0.8977890     1.336682  
1 1 1 17  2  3  o 45.50721 0.3487164 1061.166   16.26114 1075.000  31.60000 1046.500   33.50000 45.79505 0.6733955 45.18228 0.7235662 0.6127663      0.9884379 
1 1 1 17  2  4  o 36.66669 0.3144871 688.9058   11.81607 724.5000  23.00000 651.3000   24.30000 37.59658 0.5970094 35.64501 0.6652872 1.951572       0.8938832 
1 1 1 17  2  5  o 126.1291 0.7423557 8156.313   95.94576 7875.100  184.5000 8461.000   199.9000 123.8165 1.454184  128.3244 1.520216  -4.507813      2.103737  
1 1 1 17  2  6  o 16.69806 0.3327513 142.8777   5.693562 143.6000  9.900000 141.9000   13.40000 16.72773 0.5784339 16.61647 0.7892432 0.1112633      0.9785145 
1 1 1 17  2  7  o 39.43428 0.3823574 796.9070   15.45047 812.3000  36.30000 785.5000   26.90000 39.79482 0.8901879 39.14249 0.6706648 0.6523361      1.114552  
1 1 1 17  3  0  o 63.22050 0.4314416 2048.123   27.94978 2126.000  52.40000 1959.100   59.90000 64.39851 0.7940668 61.81184 0.9457074 2.586670       1.234870  
1 1 1 17  3  1  o 83.17297 0.5138261 3545.223   43.79220 3387.400  79.70000 3737.700   97.20000 81.27500 0.9569802 85.36092 1.111242  -4.085922      1.466516  
1 1 1 17  3  2  o 54.92576 0.3760445 1545.911   21.16477 1415.000  37.20000 1718.700   49.10000 52.53951 0.6909690 57.89764 0.8276034 -5.358131      1.078131  
1 1 1 17  3  3  o 44.68892 0.3538875 1023.362   16.20554 996.4000  30.80000 1053.300   34.20000 44.08789 0.6817625 45.32727 0.7363226 -1.239388      1.003479  
1 1 1 17  3  4  o 40.33625 0.3748195 833.7473   15.49231 959.2000  37.10000 743.8000   26.60000 43.24974 0.8371283 38.09079 0.6814959 5.158951       1.079454  
1 1 1 17  3  5  o 21.24743 0.3495473 231.3405   7.610457 205.4000  14.20000 261.3000   16.40000 20.00399 0.6937950 22.56449 0.7101678 -2.560497      0.9928191 
1 1 1 17  3  6  o 40.91919 0.7154773 0.000000   0.000000 ?         ?        858.5000   30.00000 ?        ?         40.91919 0.7154773 0.000000       0.7154773 
1 1 1 17  3  7  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 17  4  0  o 34.75016 0.6824189 0.000000   0.000000 ?         ?        619.0000   24.30000 ?        ?         34.75016 0.6824189 0.000000       0.6824189 
1 1 1 17  4  1  o 78.78430 0.4988080 3181.021   40.26906 3258.400  76.20000 3094.300   85.40000 79.70956 0.9329237 77.66448 1.073092  2.045082       1.421926  
1 1 1 17  4  2  o 77.85191 0.5536684 3106.446   44.16898 3172.500  102.7000 3056.600   77.50000 78.61414 1.274886  77.19504 0.9797470 1.419106       1.607868  
1 1 1 17  4  3  o 50.46867 0.7734633 0.000000   0.000000 ?         ?        1306.000   40.00000 ?        ?         50.46867 0.7734633 0.000000       0.7734633 
1 1 1 17  4  4  o 88.02862 1.158495  0.000000   0.000000 ?         ?        3977.500   104.5000 ?        ?         88.02862 1.158495  0.000000       1.158495  
1 1 1 17  4  5  o 24.08166 0.6286638 0.000000   0.000000 ?         ?        297.5000   15.50000 ?        ?         24.08166 0.6286638 0.000000       0.6286638 
1 1 1 17  4  6  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 17  5  0  o 92.14428 1.172414  0.000000   0.000000 ?         ?        4357.400   110.7000 ?        ?         92.14428 1.172414  0.000000       1.172414  
1 1 1 17  5  1  o 42.47186 0.7031075 0.000000   0.000000 ?         ?        924.8000   30.60000 ?        ?         42.47186 0.7031075 0.000000       0.7031075 
1 1 1 17  5  2  o 5.468467 1.938448  0.000000   0.000000 ?         ?        13.30000   13.60000 ?        ?         5.468467 1.938448  0.000000       1.938448  
1 1 1 17  5  3  o 39.73616 0.7244989 0.000000   0.000000 ?         ?        809.6000   29.50000 ?        ?         39.73616 0.7244989 0.000000       0.7244989 
1 1 1 17  5  4  o 38.12126 0.6860711 0.000000   0.000000 ?         ?        745.1000   26.80000 ?        ?         38.12126 0.6860711 0.000000       0.6860711 
1 1 1 17  6  0  o 65.34213 0.9035739 0.000000   0.000000 ?         ?        2190.100   60.50000 ?        ?         65.34213 0.9035739 0.000000       0.9035739 
1 1 1 17  6  1  o 86.62730 1.063454  0.000000   0.000000 ?         ?        3851.400   94.40000 ?        ?         86.62730 1.063454  0.000000       1.063454  
1 1 1 17  6  2  o 72.55631 0.9441990 0.000000   0.000000 ?         ?        2701.000   70.20000 ?        ?         72.55631 0.9441990 0.000000       0.9441990 
1 1 1 17  7  0  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 18  0  0  o 59.68741 0.8047516 1827.000   49.20000 1827.000  49.20000 1827.000   49.20000 59.68741 0.8047516 59.68741 0.8047516 0.000000       0.000000  
1 1 1 18  0  1  o 16.31517 0.6664799 137.1000   11.10000 137.1000  11.10000 137.1000   11.10000 16.31517 0.6664799 16.31517 0.6664799 0.000000       0.000000  
1 1 1 18  0  2  f 16.16682 0.7399809 134.8000   12.20000 134.8000  12.20000 134.8000   12.20000 16.16682 0.7399809 16.16682 0.7399809 0.000000       0.000000  
1 1 1 18  0  3  o 50.28807 0.7319567 1297.000   37.70000 1297.000  37.70000 1297.000   37.70000 50.28807 0.7319567 50.28807 0.7319567 0.000000       0.000000  
1 1 1 18  0  4  o 65.18250 0.9151763 2179.500   61.10000 2179.500  61.10000 2179.500   61.10000 65.18250 0.9151763 65.18250 0.9151763 0.000000       0.000000  
1 1 1 18  1  0  f 98.81306 0.6056514 5004.847   61.32471 5239.900  127.1000 4785.700   118.5000 101.0368 1.227630  96.56285 1.197595  4.473953       1.715025  
1 1 1 18  1  1  o 39.10208 0.3216012 783.4766   12.88593 740.6000  23.80000 834.1000   28.10000 38.01045 0.6110483 40.33623 0.6798493 -2.325779      0.9140980 
1 1 1 18  1  2  o 40.55618 0.3353081 842.8476   13.93476 945.9000  30.30000 755.1000   25.80000 42.95346 0.6884082 38.37874 0.6560404 4.574726       0.9509442 
1 1 1 18  1  3  o 28.51337 0.3001336 416.6026   8.769232 424.3000  17.10000 408.5000   18.00000 28.77047 0.5800305 28.22868 0.6222768 0.5417881      0.8506843 
1 1 1 18  1  4  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
1 1 1 18  2  0  f 67.07771 0.4399242 2305.856   30.23810 2266.600  59.30000 2346.700   61.70000 66.48035 0.8704885 67.64333 0.8901471 -1.162987      1.245035  
1 1 1 18  2  1  o 63.40508 0.4363692 2060.287   28.35154 1984.200  53.20000 2147.100   60.70000 62.20213 0.8346570 64.69898 0.9155728 -2.496853      1.238921  
1 1 1 18  2  2  o 78.62791 0.5818973 3169.065   46.88365 3136.800  109.3000 3193.300   82.10000 78.14191 1.365016  78.88911 1.015612  -0.7472000     1.701392  
1 1 1 18  2  3  o 35.09493 0.3692900 631.1682   13.28037 629.0000  29.00000 633.0000   24.50000 35.02118 0.8081069 35.13731 0.6804547 -0.1161270     1.056435  
1 1 1 18  3  0  o 32.41733 0.3396527 538.5070   11.28264 572.9000  24.80000 509.8000   20.70000 33.42716 0.7240254 31.53507 0.6405872 1.892094       0.9667289 
1 1 1 18  3  1  o 19.63235 0.8119989 0.000000   0.000000 ?         ?        198.0000   16.30000 ?        ?         19.63235 0.8119989 0.000000       0.8119989 
1 1 1 18  3  2  o 105.8732 1.251743  0.000000   0.000000 ?         ?        5756.500   135.8000 ?        ?         105.8732 1.251743  0.000000       1.251743  
1 1 1 18  4  0  o 30.83639 0.6551012 0.000000   0.000000 ?         ?        487.5000   20.70000 ?        ?         30.83639 0.6551012 0.000000       0.6551012 
1 1 1 18  4  1  x ?        ?         ?          ?        ?         ?        ?          ?        ?        ?         ?        ?         ?              ?         
# 
#END OF REFLECTIONS
