data_r4uf6sf
# 
_audit.revision_id     1_0 
_audit.creation_date   ? 
_audit.update_record   'Initial release' 
# 
_cell.entry_id      4uf6 
_cell.length_a      152.0840 
_cell.length_b      137.7880 
_cell.length_c      98.9160 
_cell.angle_alpha   90.0000 
_cell.angle_beta    102.5430 
_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   0.87260 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   3.689 
_diffrn_reflns.pdbx_d_res_low    100.991 
_diffrn_reflns.limit_h_max       40 
_diffrn_reflns.limit_h_min       -41 
_diffrn_reflns.limit_k_max       37 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       26 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            21537 
_diffrn_reflns.pdbx_number_obs   21089 
# 
_entry.id   4uf6 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               4uf6 
_symmetry.space_group_name_H-M   'C 1 2 1' 
_symmetry.Int_Tables_number      5 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 'X,  Y,  Z'           
2 '-X,  Y,  -Z'         
3 'X+1/2,  Y+1/2,  Z'   
4 '-X+1/2,  Y+1/2,  -Z' 
# 
#
loop_
_refln.crystal_id
_refln.wavelength_id
_refln.scale_group_code
_refln.index_h
_refln.index_k
_refln.index_l
_refln.status
_refln.F_meas_au
_refln.F_meas_sigma_au
_refln.intensity_meas
_refln.intensity_sigma
_refln.pdbx_I_plus
_refln.pdbx_I_plus_sigma
_refln.pdbx_I_minus
_refln.pdbx_I_minus_sigma
_refln.pdbx_F_plus
_refln.pdbx_F_plus_sigma
_refln.pdbx_F_minus
_refln.pdbx_F_minus_sigma
_refln.pdbx_anom_difference
_refln.pdbx_anom_difference_sigma
1 1 1  -41    1    5 o  302.001  141.453  -0.5131   0.9860  -0.8127   1.4404  -0.2490   1.3526  345.777  164.633  364.369  168.988 -18.59174 235.9261 
1 1 1  -41    1    6 o  490.308  184.406   1.4163   1.1300   2.7152   1.6820   0.3476   1.5256  613.833  226.115  419.990  188.818 193.8433 294.5842 
1 1 1  -41    1    7 o  1299.79  117.652   8.7054   1.3919   8.5624   1.9512   8.8535   1.9861  1207.26  181.242  1227.71  181.263 -20.44714 256.3298 
1 1 1  -41    1    8 o  435.933  171.506   0.9141   1.0089   2.6194   1.4995  -0.4967   1.3639  630.903  215.294  362.070  168.518 268.8329 273.4045 
1 1 1  -41    3    5 o  274.004  131.972  -1.0156   0.9861  -1.9576   1.4197  -0.1373   1.3708  298.762  147.008  371.745  171.600 -72.98257 225.9594 
1 1 1  -41    3    7 o  494.006  198.994   1.3636   1.3903   0.0000   0.0000   1.3636   1.3903  ?   ?   494.006  198.994 0.000000 198.9943 
1 1 1  -40    0    1 o  400.251  248.028   2.1508   1.8182   2.1508   1.8182   2.1508   1.8182  400.251  248.028  400.251  248.028 -0.000000 0.000000 
1 1 1  -40    0    2 o  298.972  186.146   0.7742   1.0364   0.7742   1.0364   0.7742   1.0364  298.972  186.146  298.972  186.146 -0.000000 0.000000 
1 1 1  -40    0    3 o  294.334  182.471   0.7290   0.9851   0.7290   0.9851   0.7290   0.9851  294.334  182.471  294.334  182.471 0.000000 0.000000 
1 1 1  -40    0    4 o  207.168  144.413  -0.4896   0.9948  -0.4896   0.9948  -0.4896   0.9948  207.168  144.413  207.168  144.413 0.000000 0.000000 
1 1 1  -40    0    5 o  1252.43  115.115   8.1854   1.3009   8.1854   1.3009   8.1854   1.3009  1252.43  115.115  1252.43  115.115 -0.000000 0.000000 
1 1 1  -40    0    6 o  1760.00   99.148   15.568   1.5941   15.568   1.5941   15.568   1.5941  1760.00   99.148  1760.00   99.148 0.000000 0.000000 
1 1 1  -40    0    7 o  206.818  143.722  -0.4343   0.9647  -0.4343   0.9647  -0.4343   0.9647  206.818  143.722  206.818  143.722 -0.000000 0.000000 
1 1 1  -40    0    8 o  418.091  206.860   1.6172   0.9572   1.6172   0.9572   1.6172   0.9572  418.091  206.860  418.091  206.860 0.000000 0.000000 
1 1 1  -40    0    9 o  258.131  168.753   0.3373   0.9880   0.3373   0.9880   0.3373   0.9880  258.131  168.753  258.131  168.753 0.000000 0.000000 
1 1 1  -40    0   10 o  184.822  130.905  -0.7733   0.9228  -0.7733   0.9228  -0.7733   0.9228  184.822  130.905  184.822  130.905 0.000000 0.000000 
1 1 1  -40    2    1 o  786.045  173.609   3.9867   1.2222   4.1462   1.6810   3.8077   1.7801  702.812  227.645  649.692  233.596 53.12061 326.1744 
1 1 1  -40    2    2 o  518.516  144.296   1.5918   0.7137   2.1798   1.0283   1.0453   0.9914  575.035  176.993  426.503  169.301 148.5322 244.9273 
1 1 1  -40    2    3 o  571.197  139.522   1.8633   0.7270   1.1563   0.9845   2.7111   1.0782  445.789  171.069  655.810  175.298 -210.0204 244.9365 
1 1 1  -40    2    4 o  427.707  150.532   1.0169   0.7355   1.2065   1.0398   0.8271   1.0404  458.621  175.848  416.607  170.536 42.01456 244.9595 
1 1 1  -40    2    5 o  926.642  100.171   4.3380   0.8405   4.4357   1.2183   4.2493   1.1612  886.135  155.057  871.991  150.132 14.14465 215.8291 
1 1 1  -40    2    6 o  1296.95   81.054   8.1850   0.9625   8.5122   1.3614   7.8580   1.3609  1286.78  116.229  1229.80  121.863 56.98755 168.4038 
1 1 1  -40    2    7 o  713.568  118.478   2.6423   0.7506   2.0764   1.0700   3.1907   1.0533  589.019  180.423  755.542  156.652 -166.5231 238.9400 
1 1 1  -40    2    8 o  466.290  143.431   1.1784   0.6754   1.2376   0.9580   1.1199   0.9524  476.948  171.379  461.062  170.095 15.88629 241.4603 
1 1 1  -40    2    9 o  209.878  102.919  -1.1933   0.6771  -2.5955   0.8997   0.6372   1.0281  204.484  103.066  412.317  169.236 -207.8325 198.1503 
1 1 1  -40    2   10 o  462.724  174.261   1.0758   1.0098   1.1097   1.3299   1.0296   1.5516  484.395  194.799  490.539  205.208 -6.143982 282.9434 
1 1 1  -40    4    1 o  769.975  180.546   3.9544   1.2570   3.5799   1.6699   4.4441   1.9094  638.655  226.604  685.590  242.416 -46.93542 331.8362 
1 1 1  -40    4    2 o  437.500  174.262   1.1500   1.0536   0.3332   1.3656   2.3513   1.6562  386.264  175.644  540.090  217.319 -153.8260 279.4251 
1 1 1  -40    4    3 o  865.002  104.694   3.8841   0.8163   4.2542   1.1650   3.5271   1.1443  853.822  153.942  759.427  168.185 94.39496 228.0004 
1 1 1  -40    4    4 o  582.099  137.842   1.9066   0.7269   4.0710   1.0579  -0.0292   1.0005  857.295  138.859  335.477  151.668 521.8176 205.6333 
1 1 1  -40    4    5 o  1157.73   85.292   6.6049   0.9022   7.1535   1.2965   6.0899   1.2563  1165.37  122.754  1065.83  130.844 99.54236 179.4123 
1 1 1  -40    4    6 o  299.826  130.871   0.0631   0.6816   0.4223   1.0367  -0.2104   0.9047  383.484  164.359  313.264  142.646 70.22018 217.6273 
1 1 1  -40    4    7 o  691.249  142.956   2.6145   0.8793   3.3470   1.5963   2.2954   1.0535  703.591  221.181  620.621  176.239 82.96979 282.8097 
1 1 1  -40    4    8 o  927.331  114.568   4.3897   0.9568   5.0052   1.6387   4.0714   1.1786  904.200  202.040  859.762  154.666 44.43793 254.4440 
1 1 1  -40    4    9 o  408.143  152.241   0.8004   0.7671  -0.8610   1.2359   1.8413   0.9783  328.831  155.365  565.258  172.407 -236.4269 232.0828 
1 1 1  -40    4   10 o  499.026  165.735   1.3714   0.8888   0.2607   1.0381   4.4220   1.7204  378.360  163.340  836.660  220.397 -458.3000 274.3267 
1 1 1  -40    4   11 o  771.137  222.386   3.7617   1.6650   3.7617   1.6650   0.0000   0.0000  771.137  222.386  ?   ?  0.000000 222.3856 
1 1 1  -40    6    2 o  496.552  181.322   1.6854   1.0782   2.9697   1.4039  -0.1616   1.6836  620.496  208.339  380.302  180.175 240.1935 275.4414 
1 1 1  -40    6    3 o  489.598  210.210   1.6252   1.7011   0.0000   0.0000   1.6252   1.7011  ?   ?   489.598  210.210 0.000000 210.2102 
1 1 1  -40    6    4 o  445.077  176.493   1.1233   1.0764   0.0000   0.0000   1.1233   1.0764  ?   ?   445.077  176.493 0.000000 176.4934 
1 1 1  -40    6    5 o  821.029  122.481   3.5880   0.8970   2.6120   1.2886   4.5055   1.2494  623.955  199.023  882.473  159.748 -258.5182 255.2052 
1 1 1  -40    6    6 o  900.767  123.544   4.2832   0.9970   2.9283   1.2058   7.2118   1.7728  684.651  186.390  1097.87  181.848 -413.2226 260.4034 
1 1 1  -40    6    7 o  298.384  132.907  -0.0571   0.7373  -0.7411   0.9117   1.2355   1.2534  279.652  132.519  477.888  190.156 -198.2355 231.7773 
1 1 1  -40    6    8 o  778.725  132.094   3.2217   0.9127   4.9504   1.1672   0.5008   1.4643  965.401  135.089  433.481  190.443 531.9204 233.4900 
1 1 1  -40    6    9 o  292.812  142.582  -1.6298   1.2343  -1.6298   1.2343   0.0000   0.0000  292.812  142.582  ?   ?  0.000000 142.5824 
1 1 1  -40    6   10 o  1277.63  182.110   9.3086   2.0803   9.3086   2.0803   0.0000   0.0000  1277.63  182.110  ?   ?  0.000000 182.1098 
1 1 1  -40    8    4 o  663.727  211.103   3.2311   1.4506   0.0000   0.0000   3.2311   1.4506  ?   ?   663.727  211.103 0.000000 211.1033 
1 1 1  -40    8    5 o  448.952  162.006   1.1697   0.8571   2.1332   1.6393   0.8073   1.0054  543.939  217.141  409.650  167.662 134.2889 274.3365 
1 1 1  -40    8    6 o  1148.77  119.310   6.9252   1.2428   7.1757   1.9853   6.7638   1.5936  1040.40  214.510  1077.62  166.048 -37.22388 271.2679 
1 1 1  -40    8    7 o  650.520  180.946   2.6036   1.1226   1.5615   1.6754   3.4525   1.5122  513.091  213.817  713.445  213.623 -200.3546 302.2458 
1 1 1  -40    8    8 o  783.567  213.072   4.0289   1.5768   0.0000   0.0000   4.0289   1.5768  ?   ?   783.567  213.072 0.000000 213.0720 
1 1 1  -39    1    1 o  732.698  117.590   2.8949   0.7660   3.0035   1.0579   2.7752   1.1105  694.977  167.417  651.635  179.487 43.34210 245.4468 
1 1 1  -39    1    2 o  904.442   92.704   4.1248   0.7606   3.9440   1.0848   4.2997   1.0668  833.293  146.835  882.487  135.724 -49.19397 199.9542 
1 1 1  -39    1    3 o  318.116  131.502   0.3157   0.6264  -0.0251   0.8845   0.6587   0.8873  322.102  144.367  389.154  158.186 -67.05167 214.1602 
1 1 1  -39    1    4 o  328.911  135.352   0.3436   0.6597   0.3300   0.9000   0.3595   0.9699  359.424  153.569  370.534  158.897 -11.11035 220.9792 
1 1 1  -39    1    5 o  389.554  142.268   0.7462   0.6638   0.0201   0.9202   1.5342   0.9586  336.574  149.273  514.931  172.155 -178.3570 227.8592 
1 1 1  -39    1    6 o  425.502  144.695   0.9470   0.6773   0.6622   0.9234   1.2785   0.9964  402.958  162.227  483.306  174.636 -80.34778 238.3595 
1 1 1  -39    1    7 o  297.160  126.339   0.1303   0.6037  -0.0848   0.8393   0.3609   0.8689  318.124  141.744  365.585  153.292 -47.46088 208.7818 
1 1 1  -39    1    8 o  274.621  122.268  -0.1152   0.6232  -0.0833   0.8489  -0.1524   0.9178  320.994  142.823  326.825  146.732 -5.830353 204.7644 
1 1 1  -39    1    9 o  634.379  127.543   2.0938   0.7187   2.3800   0.9749   1.7531   1.0637  655.760  162.411  556.259  181.145 99.50116 243.2918 
1 1 1  -39    1   10 o  1414.23   72.248   9.5139   0.9370   10.018   1.3963   9.1010   1.2639  1423.68  107.379  1361.58  101.611 62.09778 147.8343 
1 1 1  -39    1   11 o  574.745  131.516   1.7286   0.6805   0.8288   0.9068   2.8882   1.0295  429.330  164.315  730.483  157.774 -301.1531 227.7983 
1 1 1  -39    1   12 o  323.772  140.471   0.0542   0.7754   2.1816   1.4501  -0.7978   0.9177  609.960  211.562  284.410  134.223 325.5500 250.5478 
1 1 1  -39    3    1 o  435.233  143.683   1.1098   0.6684   1.2480   0.9403   0.9686   0.9503  450.147  168.424  416.045  165.566 34.10202 236.1753 
1 1 1  -39    3    2 o  576.599  137.099   1.8838   0.7167   3.9387   1.0331  -0.0235   0.9953  839.875  138.502  332.955  150.832 506.9193 204.7758 
1 1 1  -39    3    3 o  793.387  112.466   3.2826   0.7981   3.7506   1.1269   2.8117   1.1304  806.331  157.530  672.377  179.386 133.9537 238.7364 
1 1 1  -39    3    4 o  627.831  122.414   2.0959   0.6818   3.3325   0.9666   0.8717   0.9618  780.939  139.642  422.252  167.027 358.6869 217.7109 
1 1 1  -39    3    5 o  792.143  103.801   3.1739   0.7384   3.4626   1.0601   2.9019   1.0291  790.689  151.217  714.234  160.497 76.45544 220.5125 
1 1 1  -39    3    6 o  1001.86   88.101   4.9160   0.8039   4.0919   1.1185   5.7967   1.1563  871.024  144.625  1061.81  120.479 -190.7897 188.2329 
1 1 1  -39    3    7 o  706.785  115.693   2.5603   0.7264   1.5737   0.9993   3.6656   1.0577  525.660  175.773  826.896  144.257 -301.2357 227.3897 
1 1 1  -39    3    8 o  348.875  145.178   0.3259   0.7708  -0.2533   1.2213   0.7093   0.9938  363.965  165.734  418.186  168.315 -54.22052 236.2156 
1 1 1  -39    3    9 o  897.487  112.905   4.0536   0.9118   6.6871   1.6577   2.9113   1.0917  1103.49  168.609  722.251  167.522 381.2404 237.6818 
1 1 1  -39    3   10 o  774.719  123.365   3.0724   0.8499   0.7392   1.3095   4.7710   1.1173  452.685  188.871  964.031  129.202 -511.3465 228.8348 
1 1 1  -39    3   11 o  300.277  132.712  -0.0730   0.7212  -0.1333   1.3016  -0.0463   0.8663  386.276  173.963  329.150  145.464 57.12534 226.7659 
1 1 1  -39    3   12 o  307.844  132.165   0.0859   0.6724   0.6141   1.1337  -0.2006   0.8351  427.473  176.825  310.869  139.733 116.6041 225.3719 
1 1 1  -39    3   13 o  376.505  155.468   0.4051   0.8742   0.3818   1.3262   0.4229   1.1625  428.803  184.872  414.077  175.655 14.72549 255.0145 
1 1 1  -39    5    1 o  843.394  103.055   3.7253   0.7831   5.1231   1.1490   2.5125   1.0703  952.116  134.922  612.866  178.750 339.2501 223.9545 
1 1 1  -39    5    2 o  413.272  140.971   0.9648   0.6429   0.8387   0.8899   1.1025   0.9298  402.033  160.144  435.715  166.473 -33.68152 230.9965 
1 1 1  -39    5    3 o  944.823  105.960   4.6012   0.9053   5.2578   1.5289   4.2466   1.1235  915.239  187.833  868.495  145.748 46.74341 237.7475 
1 1 1  -39    5    4 o  929.389  105.984   4.4174   0.8902   3.6741   1.4461   4.8709   1.1295  746.036  204.547  950.826  132.714 -204.7895 243.8291 
1 1 1  -39    5    5 o  615.236  135.109   2.0627   0.7439   2.8611   1.0446   1.2410   1.0597  702.582  164.486  471.965  178.342 230.6170 242.6139 
1 1 1  -39    5    6 o  232.223  111.525  -0.8242   0.6924  -0.2273   1.1938  -1.1267   0.8500  356.115  162.818  248.310  120.310 107.8043 202.4460 
1 1 1  -39    5    7 o  443.980  147.829   1.0541   0.7070   0.3230   1.1585   1.4878   0.8924  394.392  171.405  512.705  165.840 -118.3128 238.5010 
1 1 1  -39    5    8 o  385.695  149.439   0.6431   0.7567   1.1093   1.2886   0.3977   0.9348  478.506  191.992  377.230  158.627 101.2761 249.0452 
1 1 1  -39    5    9 o  931.101  103.619   4.3147   0.8727   5.2952   1.5014   3.8144   1.0725  971.670  174.326  847.662  142.564 124.0073 225.1978 
1 1 1  -39    5   10 o  263.345  120.269  -0.2976   0.6491   0.7514   0.9584  -1.1868   0.8823  421.176  166.690  254.486  123.127 166.6896 207.2331 
1 1 1  -39    5   11 o  493.434  141.528   1.2994   0.6760   1.2787   0.9904   1.3174   0.9249  490.870  174.479  494.795  169.086 -3.925232 242.9673 
1 1 1  -39    5   12 o  487.808  156.766   1.2716   0.7984   2.1009   1.3753   0.8501   0.9805  597.877  206.113  437.200  169.912 160.6770 267.1188 
1 1 1  -39    7    1 o  606.136  187.210   2.6027   1.1493   2.4752   1.4248   2.8401   1.9444  555.792  207.453  548.852  229.668 6.939331 309.4905 
1 1 1  -39    7    2 o  364.099  147.982   0.6102   0.7764   1.6948   1.2891  -0.0072   0.9726  495.105  194.152  326.859  148.476 168.2462 244.4181 
1 1 1  -39    7    3 o  599.223  144.900   2.0779   0.7902   2.0649   1.2477   2.0867   1.0210  547.992  195.725  570.157  176.514 -22.16473 263.5631 
1 1 1  -39    7    4 o  541.328  155.686   1.7296   0.8170   0.2157   1.2852   2.7562   1.0584  385.090  173.199  673.027  170.655 -287.9367 243.1479 
1 1 1  -39    7    5 o  498.286  153.616   1.4305   0.7742   1.5772   1.2511   1.3394   0.9856  507.745  193.318  479.312  173.613 28.43265 259.8334 
1 1 1  -39    7    6 o  489.046  143.055   1.3319   0.6846   0.8919   1.0088   1.7075   0.9320  429.393  170.678  537.855  168.999 -108.4615 240.1911 
1 1 1  -39    7    7 o  795.671  102.327   3.1899   0.7318   3.7396   1.0760   2.7168   0.9982  827.456  146.695  691.813  160.001 135.6423 217.0711 
1 1 1  -39    7    8 o  253.820  116.813  -0.3316   0.6285  -0.0277   0.9056  -0.6139   0.8729  331.705  147.554  282.750  132.644 48.95425 198.4106 
1 1 1  -39    7    9 o  316.241  130.851   0.2616   0.6211  -0.0079   0.8904   0.5170   0.8668  332.356  147.148  381.410  155.840 -49.05472 214.3329 
1 1 1  -39    7   10 o  615.518  130.352   1.9989   0.7153   1.6069   0.9933   2.4212   1.0310  532.323  175.129  652.004  170.066 -119.6805 244.1162 
1 1 1  -39    7   11 o  250.364  117.068  -0.5139   0.6705   0.1421   0.9514  -1.1612   0.9450  357.062  155.256  267.472  128.918 89.58948 201.8026 
1 1 1  -39    9    1 o  477.911  205.977   1.8232   1.6452   0.0000   0.0000   1.8232   1.6452  ?   ?   477.911  205.977 0.000000 205.9774 
1 1 1  -39    9    2 f  614.511  234.055   3.4726   1.8344   0.0000   0.0000   3.4726   1.8344  ?   ?   614.511  234.055 0.000000 234.0548 
1 1 1  -39    9    3 f  226.950  109.932  -0.8794   0.7085  -0.4514   1.2881  -1.0651   0.8484  337.218  159.108  244.117  118.721 93.10098 198.5196 
1 1 1  -39    9    4 o  236.760  112.070  -0.5410   0.6485  -0.7541   0.8842  -0.2928   0.9541  268.593  128.188  308.204  142.581 -39.61072 191.7326 
1 1 1  -39    9    5 o  587.939  134.989   1.9246   0.7149   1.3972   0.9988   2.4786   1.0237  481.576  174.715  636.132  171.136 -154.5560 244.5666 
1 1 1  -39    9    6 o  513.786  142.834   1.4908   0.6997   2.4004   1.0226   0.6901   0.9594  630.089  171.696  399.676  163.702 230.4132 237.2297 
1 1 1  -39    9    7 o  317.176  131.652   0.2856   0.6316   0.1452   0.8747   0.4384   0.9129  338.364  147.959  371.625  156.539 -33.26120 215.3983 
1 1 1  -39    9    8 o  252.276  121.551  -0.9983   0.8383  -1.5159   1.4040  -0.7114   1.0451  318.814  154.508  304.519  143.569 14.29514 210.9137 
1 1 1  -39    9    9 o  380.322  175.695  -0.3383   1.4411  -0.3383   1.4411   0.0000   0.0000  380.322  175.695  ?   ?  0.000000 175.6949 
1 1 1  -39    9   10 o  313.876  142.366  -0.2245   0.8899  -0.2245   0.8899   0.0000   0.0000  313.876  142.366  ?   ?  0.000000 142.3659 
1 1 1  -39    9   11 o  405.642  186.140  -0.2351   1.5800  -0.2351   1.5800   0.0000   0.0000  405.642  186.140  ?   ?  0.000000 186.1402 
1 1 1  -39   11    4 o  569.685  202.131   2.3754   1.3286   0.0000   0.0000   2.3754   1.3286  ?   ?   569.685  202.131 0.000000 202.1313 
1 1 1  -39   11    5 o  1004.63  132.482   5.5452   1.1948   7.4418   2.0853   4.6181   1.4579  1016.26  228.537  842.374  192.314 173.8834 298.6866 
1 1 1  -39   11    6 o  473.776  172.320   1.3431   0.9724  -0.3430   1.6034   2.3241   1.2231  381.952  179.372  589.799  194.347 -207.8470 264.4714 
1 1 1  -39   11    7 o  376.098  159.747   0.4646   0.9635   0.0022   1.6065   0.7243   1.2040  403.804  186.176  420.294  178.551 -16.49048 257.9576 
1 1 1  -39   11    8 o  432.240  195.458   0.3583   1.6627   0.3583   1.6627   0.0000   0.0000  432.240  195.458  ?   ?  0.000000 195.4578 
1 1 1  -39   11    9 o  496.349  206.853   1.3079   1.5682   1.3079   1.5682   0.0000   0.0000  496.349  206.853  ?   ?  0.000000 206.8530 
1 1 1  -38    0    1 o  164.497  118.155  -1.1803   0.8597  -1.1803   0.8597  -1.1803   0.8597  164.497  118.155  164.497  118.155 -0.000000 0.000000 
1 1 1  -38    0    2 o  420.557  203.721   1.5012   0.9202   1.5012   0.9202   1.5012   0.9202  420.557  203.721  420.557  203.721 -0.000000 0.000000 
1 1 1  -38    0    3 o  1140.82  115.315   6.6577   1.1822   6.6577   1.1822   6.6577   1.1822  1140.82  115.315  1140.82  115.315 0.000000 0.000000 
1 1 1  -38    0    4 o  437.742  205.130   1.5831   0.9252   1.5831   0.9252   1.5831   0.9252  437.742  205.130  437.742  205.130 -0.000000 0.000000 
1 1 1  -38    0    5 o  944.391  123.130   4.6607   1.0197   4.6607   1.0197   4.6607   1.0197  944.391  123.130  944.391  123.130 -0.000000 0.000000 
1 1 1  -38    0    6 f  207.695  142.062  -0.3087   0.8571  -0.3087   0.8571  -0.3087   0.8571  207.695  142.062  207.695  142.062 0.000000 0.000000 
1 1 1  -38    0    7 f  1357.60  102.218   9.1695   1.2603   9.1695   1.2603   9.1695   1.2603  1357.60  102.218  1357.60  102.218 -0.000000 0.000000 
1 1 1  -38    0    8 o  208.189  141.136  -0.1986   0.8071  -0.1986   0.8071  -0.1986   0.8071  208.189  141.136  208.189  141.136 -0.000000 0.000000 
1 1 1  -38    0    9 o  979.867  129.360   5.0905   1.1098   5.0905   1.1098   5.0905   1.1098  979.867  129.360  979.867  129.360 0.000000 0.000000 
1 1 1  -38    0   10 o  429.267  200.957   1.5402   0.8877   1.5402   0.8877   1.5402   0.8877  429.267  200.957  429.267  200.957 0.000000 0.000000 
1 1 1  -38    0   11 f  1329.48  104.598   8.9235   1.2614   8.9235   1.2614   8.9235   1.2614  1329.48  104.598  1329.48  104.598 0.000000 0.000000 
1 1 1  -38    0   12 o  961.193  222.860   6.1355   1.7147   6.1355   1.7147   6.1355   1.7147  961.193  222.860  961.193  222.860 -0.000000 0.000000 
1 1 1  -38    0   13 o  403.737  234.270   1.8315   1.4244   1.8315   1.4244   1.8315   1.4244  403.737  234.270  403.737  234.270 -0.000000 0.000000 
1 1 1  -38    0   14 f  204.812  147.590  -1.5806   1.3917  -1.5806   1.3917  -1.5806   1.3917  204.812  147.590  204.812  147.590 -0.000000 0.000000 
1 1 1  -38    0   15 o  384.632  205.271   1.4741   0.9891   1.4741   0.9891   1.4741   0.9891  384.632  205.271  384.632  205.271 0.000000 0.000000 
1 1 1  -38    2    1 o  1133.19   79.891   6.3065   0.8277   5.7605   1.1535   6.8861   1.1884  1039.77  122.941  1148.17  113.990 -108.4067 167.6548 
1 1 1  -38    2    2 o  269.591  120.668  -0.1010   0.6157   0.0048   0.8748  -0.2049   0.8668  324.617  144.668  306.405  139.564 18.21201 201.0143 
1 1 1  -38    2    3 o  805.788  100.222   3.2646   0.7270   3.2049   1.0102   3.3288   1.0472  761.148  149.567  773.476  152.558 -12.32880 213.6454 
1 1 1  -38    2    4 o  828.704   96.454   3.4111   0.7217   3.0198   0.9937   3.8481   1.0500  741.811  150.720  849.399  139.166 -107.5886 205.1432 
1 1 1  -38    2    5 o  467.256  136.057   1.1654   0.6205   0.9267   0.8849   1.3963   0.8704  435.009  163.267  502.495  163.871 -67.48648 231.3217 
1 1 1  -38    2    6 f  700.143  114.157   2.4888   0.7101   2.4081   0.9971   2.5719   1.0115  656.942  165.133  680.585  163.554 -23.64313 232.4194 
1 1 1  -38    2    7 o  511.239  134.763   1.3811   0.6429   0.8350   0.9314   1.8783   0.8886  431.199  166.154  584.354  160.395 -153.1541 230.9406 
1 1 1  -38    2    8 o  818.437  106.079   3.3237   0.7801   2.6509   1.2839   3.7175   0.9822  674.786  195.485  852.015  129.342 -177.2290 234.4011 
1 1 1  -38    2    9 o  432.439  147.654   0.9364   0.7053   0.8045   1.1609   1.0136   0.8880  450.801  181.749  454.428  164.760 -3.627258 245.3135 
1 1 1  -38    2   10 f  1106.57   78.542   5.8486   0.7945   6.8575   1.1828   5.0190   1.0726  1178.33  110.378  1001.47  118.700 176.8607 162.0897 
1 1 1  -38    2   11 o  1046.48   84.067   5.2585   0.8027   6.4939   1.1762   4.1817   1.0981  1145.06  113.111  902.326  136.524 242.7316 177.2929 
1 1 1  -38    2   12 o  1255.81   89.510   7.5969   1.0276   8.3370   1.8670   7.2753   1.2307  1251.46  166.247  1214.08  111.409 37.37756 200.1251 
1 1 1  -38    2   13 o  929.065  110.956   4.2751   0.9298   3.0322   1.5357   4.9943   1.1683  713.980  215.613  991.727  131.245 -277.7474 252.4173 
1 1 1  -38    2   14 o  457.075  146.275   1.0735   0.6956   2.0980   1.0053   0.1321   0.9636  618.395  170.952  363.990  157.255 254.4057 232.2789 
1 1 1  -38    2   15 o  623.848  212.359   2.2353   1.4588   2.2353   1.4588   0.0000   0.0000  623.848  212.359  ?   ?  0.000000 212.3588 
1 1 1  -38    4    1 o  509.867  137.773   1.4817   0.6617   2.2995   0.9609   0.7441   0.9126  612.268  166.267  395.480  160.547 216.7883 231.1281 
1 1 1  -38    4    2 o  739.378  102.803   2.7960   0.6805   2.5044   0.9640   3.0856   0.9607  652.722  161.411  742.109  145.890 -89.38660 217.5722 
1 1 1  -38    4    3 o  702.575  128.641   2.6339   0.8010   2.1535   1.2955   2.9312   1.0192  579.685  200.031  717.177  158.642 -137.4926 255.3030 
1 1 1  -38    4    4 o  312.430  134.452   0.1312   0.6989  -0.1491   1.1128   0.3137   0.8981  351.523  159.344  361.109  153.824 -9.586487 221.4779 
1 1 1  -38    4    5 o  952.288   89.013   4.4376   0.7709   3.6642   1.0786   5.2452   1.1023  823.609  147.758  1011.84  120.778 -188.2271 190.8392 
1 1 1  -38    4    6 o  1172.58   74.491   6.5816   0.7996   6.1699   1.1341   6.9885   1.1275  1108.01  112.805  1186.86  104.296 -78.85718 153.6312 
1 1 1  -38    4    7 o  420.380  136.576   0.9077   0.6048   1.3181   0.8920   0.5584   0.8228  494.211  166.068  385.067  153.796 109.1440 226.3448 
1 1 1  -38    4    8 f  809.138   97.227   3.2189   0.7094   3.2059   0.9793   3.2333   1.0290  781.161  141.454  779.523  148.884 1.637573 205.3675 
1 1 1  -38    4    9 o  1246.53   74.098   7.3989   0.8461   6.2328   1.1594   8.7274   1.2375  1118.01  114.308  1334.96  101.502 -216.9553 152.8693 
1 1 1  -38    4   10 o  1522.82   78.040   11.062   1.0899   12.525   1.9228   10.369   1.3229  1567.67  134.603  1458.48   99.160 109.1871 167.1843 
1 1 1  -38    4   11 o  236.384  112.340  -0.7154   0.6645  -1.4735   1.1632  -0.3480   0.8097  293.982  142.027  294.823  134.520 -0.8414307 195.6201 
1 1 1  -38    4   12 o  437.906  141.476   0.9793   0.6496   1.3215   0.9439   0.6714   0.8953  500.793  170.811  410.765  161.574 90.02823 235.1227 
1 1 1  -38    4   13 o  840.037   99.647   3.4604   0.7552   4.7263   1.1136   2.3824   1.0276  965.073  128.608  658.542  168.801 306.5303 212.2115 
1 1 1  -38    4   14 o  592.205  150.426   1.8719   0.8213   1.3938   1.0272   2.7191   1.3674  513.941  178.077  683.558  202.790 -169.6171 269.8799 
1 1 1  -38    6    1 o  1470.60   68.273   10.461   0.9239   9.3850   1.2701   11.669   1.3463  1348.89  103.109  1513.67   97.174 -164.7832 141.6836 
1 1 1  -38    6    2 f  451.501  142.175   1.1569   0.6592   0.7258   0.8886   1.6847   0.9832  394.085  158.967  520.469  174.352 -126.3848 235.9428 
1 1 1  -38    6    3 o  294.735  125.817   0.1523   0.6031   0.2258   0.8238   0.0673   0.8854  337.315  145.568  331.277  146.699 6.037872 206.6652 
1 1 1  -38    6    4 o  1042.79   81.473   5.3004   0.7756   4.1959   1.0661   6.5421   1.1303  885.625  135.095  1134.32  109.664 -248.6929 174.0023 
1 1 1  -38    6    5 o  442.500  140.526   1.0520   0.6430   0.9070   0.9037   1.2007   0.9151  429.495  164.111  469.259  167.613 -39.76474 234.5775 
1 1 1  -38    6    6 o  589.154  138.833   1.8720   0.7403   3.1911   1.2688   1.1911   0.9116  733.867  187.267  470.930  167.390 262.9369 251.1742 
1 1 1  -38    6    7 f  558.400  137.676   1.6711   0.7029   1.3224   1.0991   1.9124   0.9144  496.108  182.781  583.518  163.661 -87.41037 245.3443 
1 1 1  -38    6    8 o  829.246  105.856   3.4319   0.7893   3.5782   1.3463   3.3553   0.9743  784.789  188.743  799.596  137.371 -14.80713 233.4410 
1 1 1  -38    6    9 o  623.037  135.361   2.0463   0.7538   0.0829   1.2321   3.2210   0.9530  391.556  173.240  784.764  136.960 -393.2080 220.8392 
1 1 1  -38    6   10 o  402.614  138.152   0.8019   0.6175  -0.3528   0.8654   2.0000   0.8815  303.719  138.769  604.863  157.007 -301.1441 209.5424 
1 1 1  -38    6   11 f  517.089  138.058   1.4159   0.6692   1.8367   0.9857   1.0561   0.9115  573.933  172.610  459.623  166.885 114.3100 240.0935 
1 1 1  -38    6   12 o  533.016  137.759   1.5017   0.6805   0.9338   0.9460   2.1109   0.9797  446.238  168.532  617.266  167.998 -171.0276 237.9628 
1 1 1  -38    6   13 o  1019.52  100.687   5.0972   0.9322   4.7691   1.1180   5.8460   1.6889  967.548  128.770  1022.96  186.290 -55.41449 226.4631 
1 1 1  -38    6   14 o  422.374  175.403   0.5560   1.1219   0.5560   1.1219   0.0000   0.0000  422.374  175.403  ?   ?  0.000000 175.4029 
1 1 1  -38    8    1 o  1035.80  121.478   5.8397   1.1358   0.0000   0.0000   5.8397   1.1358  ?   ?   1035.80  121.478 0.000000 121.4779 
1 1 1  -38    8    2 o  524.238  172.121   1.7450   0.9596   0.0000   0.0000   1.7450   0.9596  ?   ?   524.238  172.121 0.000000 172.1208 
1 1 1  -38    8    3 o  401.244  152.274   0.8350   0.7747   0.0618   1.2683   1.2951   0.9784  372.949  169.465  467.982  172.446 -95.03281 241.7769 
1 1 1  -38    8    4 o  784.331  115.534   3.2098   0.8089   3.0903   1.2724   3.2908   1.0478  696.913  192.197  760.195  155.044 -63.28192 246.9380 
1 1 1  -38    8    5 o  298.520  130.309   0.0552   0.6759   0.4141   0.9757  -0.2758   0.9371  377.226  160.505  314.287  143.900 62.93820 215.5666 
1 1 1  -38    8    6 o  924.880   86.380   4.1924   0.7266   5.6054   1.1004   3.1001   0.9676  1045.89  116.313  754.205  144.681 291.6890 185.6373 
1 1 1  -38    8    7 o  362.864  136.523   0.5913   0.6195  -0.2921   0.8353   1.6709   0.9234  298.949  136.492  540.188  167.967 -241.2394 216.4330 
1 1 1  -38    8    8 o  926.516   87.806   4.1929   0.7397   3.8020   1.0448   4.5857   1.0473  846.963  138.876  943.856  123.547 -96.89319 185.8777 
1 1 1  -38    8    9 o  295.412  127.091   0.0794   0.6241  -1.0579   0.8631   1.3257   0.9034  256.703  123.595  492.437  167.117 -235.7339 207.8553 
1 1 1  -38    8   10 o  651.294  121.696   2.1896   0.7025   3.8562   1.1035   1.0538   0.9110  850.916  146.202  455.457  166.611 395.4597 221.6623 
1 1 1  -38    8   11 o  358.072  145.514   0.4164   0.7506   0.0362   0.9422   1.0768   1.2418  347.237  152.653  478.241  189.596 -131.0041 243.4126 
1 1 1  -38    8   12 o  1813.04   75.421   15.655   1.2582   15.208   1.5430   16.543   2.1738  1767.07   95.248  1798.14  132.307 -31.06799 163.0261 
1 1 1  -38    8   13 o  714.109  192.883   2.9744   1.2973   2.9744   1.2973   0.0000   0.0000  714.109  192.883  ?   ?  0.000000 192.8831 
1 1 1  -38   10    1 o  312.880  130.019   0.3647   0.6170   0.0318   0.8610   0.7162   0.8847  310.696  140.561  377.320  156.149 -66.62393 210.0949 
1 1 1  -38   10    2 o  740.938  107.467   2.9050   0.7113   2.7113   1.0149   3.0919   0.9973  654.645  167.722  715.949  155.804 -61.30402 228.9224 
1 1 1  -38   10    3 o  735.444  108.026   2.8377   0.7093   2.5973   0.9819   3.1001   1.0257  651.626  163.903  720.283  159.007 -68.65704 228.3580 
1 1 1  -38   10    4 o  312.006  135.980   0.1377   0.7334  -0.2703   1.3014   0.3276   0.8877  355.547  165.193  351.472  151.393 4.075562 224.0732 
1 1 1  -38   10    5 o  505.223  157.629   1.4933   0.8125   0.1500   1.4924   2.0591   0.9686  402.649  183.295  582.664  170.077 -180.0150 250.0463 
1 1 1  -38   10    6 o  1176.58   93.098   6.8770   0.9997   7.5981   1.9643   6.6250   1.1613  1104.79  200.613  1135.76  112.607 -30.97192 230.0563 
1 1 1  -38   10    7 o  474.651  139.616   1.2390   0.6505   1.8309   0.9192   0.6454   0.9206  559.645  166.323  396.356  161.121 163.2888 231.5668 
1 1 1  -38   10    8 o  371.828  143.352   0.6104   0.6936   1.4464   0.9095  -0.5514   1.0721  503.613  167.674  319.213  148.852 184.4006 224.2136 
1 1 1  -38   10    9 o  237.680  113.754  -0.7979   0.7067  -0.9616   0.8960  -0.5284   1.1497  266.642  127.739  333.432  155.033 -66.78928 200.8799 
1 1 1  -38   10   10 o  728.868  118.368   2.7349   0.7666   3.0341   0.9896   2.2859   1.2124  746.374  149.303  614.710  192.683 131.6639 243.7583 
1 1 1  -38   10   11 o  469.239  146.007   1.1863   0.6976   0.3133   0.9248   2.3391   1.0626  367.974  156.406  636.015  175.736 -268.0419 235.2579 
1 1 1  -38   10   12 o  820.311  227.134   4.3227   1.7730   4.3227   1.7730   0.0000   0.0000  820.311  227.134  ?   ?  0.000000 227.1341 
1 1 1  -38   12    2 o  313.818  151.876  -0.9403   1.3449  -0.9403   1.3449   0.0000   0.0000  313.818  151.876  ?   ?  0.000000 151.8761 
1 1 1  -38   12    3 o  457.052  148.730   1.2617   0.7171   1.4373   0.9378   1.0144   1.1129  472.630  169.589  423.367  175.163 49.26309 243.8082 
1 1 1  -38   12    4 o  404.584  149.530   0.9100   0.7367   0.7138   0.9516   1.2034   1.1637  390.792  161.854  449.894  181.764 -59.10162 243.3819 
1 1 1  -38   12    5 o  720.071  121.549   2.7900   0.7767   2.2375   1.0011   3.6256   1.2311  597.356  172.488  761.395  178.774 -164.0390 248.4197 
1 1 1  -38   12    6 o  323.561  137.606   0.2610   0.7166  -0.7719   0.9050   1.9970   1.1732  273.256  130.211  553.481  190.391 -280.2253 230.6590 
1 1 1  -38   12    7 o  302.594  135.672  -0.0722   0.7819  -2.4027   1.6103   0.6469   0.8945  310.496  153.494  389.426  158.619 -78.93036 220.7270 
1 1 1  -38   12    8 o  261.077  117.996  -0.1705   0.6050   0.0652   0.9078  -0.3588   0.8116  335.582  148.576  286.049  132.040 49.53250 198.7699 
1 1 1  -38   12    9 o  594.447  133.992   1.9185   0.7154   1.9482   0.9289   1.8751   1.1216  576.988  166.021  553.963  186.212 23.02515 249.4756 
1 1 1  -38   12   10 o  471.174  172.086   1.2182   0.9713  -0.3914   1.5686   2.2190   1.2369  389.984  181.249  596.981  195.379 -206.9970 266.5038 
1 1 1  -38   14    4 o  381.854  182.824  -0.3536   1.8293   0.0000   0.0000  -0.3536   1.8293  ?   ?   381.854  182.824 0.000000 182.8238 
1 1 1  -38   14    5 o  338.024  154.510  -0.0270   1.0743   0.0000   0.0000  -0.0270   1.0743  ?   ?   338.024  154.510 0.000000 154.5099 
1 1 1  -38   14    6 o  407.068  156.491   0.8944   0.8248   1.7850   1.7166   0.6271   0.9405  507.153  214.200  382.942  159.942 124.2113 267.3261 
1 1 1  -38   14    7 o  483.219  217.996   1.1920   2.0542   1.1920   2.0542   0.0000   0.0000  483.219  217.996  ?   ?  0.000000 217.9956 
1 1 1  -37    1    1 o  660.416  111.447   2.2574   0.6531   1.7141   0.9447   2.7548   0.9040  537.775  170.287  706.526  143.943 -168.7511 222.9738 
1 1 1  -37    1    2 o  382.802  135.031   0.7296   0.5921   0.0955   0.8316   1.3815   0.8433  330.757  144.458  495.846  161.278 -165.0891 216.5143 
1 1 1  -37    1    3 o  289.924  122.690   0.1336   0.5649   0.4302   0.8090  -0.1487   0.7893  365.336  150.060  303.603  136.203 61.73294 202.6554 
1 1 1  -37    1    4 o  700.354  103.990   2.4515   0.6498   1.4831   0.8469   3.8372   1.0131  519.742  160.741  860.176  132.236 -340.4347 208.1438 
1 1 1  -37    1    5 o  1054.45   76.112   5.3142   0.7335   5.4760   1.0706   5.1710   1.0070  1047.77  112.823  1020.58  108.917 27.19025 156.8177 
1 1 1  -37    1    6 o  1129.02   74.688   6.0688   0.7715   4.3546   1.0413   8.1555   1.1489  927.435  125.219  1295.04   97.116 -367.6022 158.4656 
1 1 1  -37    1    7 o  2274.85   65.624   24.345   1.3737   26.857   2.4520   23.196   1.6583  2338.00  113.974  2207.23   81.651 130.7629 140.2034 
1 1 1  -37    1    8 o  556.897  139.602   1.6217   0.7140   1.9071   1.2593   1.4865   0.8668  586.786  197.314  528.513  162.474 58.27203 255.5989 
1 1 1  -37    1    9 o  854.782   92.984   3.5379   0.7196   3.7160   1.0501   3.3803   0.9879  851.865  138.745  812.772  136.967 39.09357 194.9621 
1 1 1  -37    1   10 o  791.318   94.111   3.0382   0.6718   4.8909   1.0278   1.6561   0.8877  995.376  114.289  557.239  162.872 438.1369 198.9706 
1 1 1  -37    1   11 o  749.984   99.124   2.7467   0.6673   2.3319   0.9145   3.2192   0.9759  665.297  152.625  792.690  138.857 -127.3933 206.3388 
1 1 1  -37    1   12 o  304.310  131.425   0.0259   0.6726  -0.0199   0.8214   0.1190   1.1716  328.273  143.466  395.458  172.120 -67.18463 224.0709 
1 1 1  -37    1   13 o  446.557  170.691   0.8640   0.9778   0.9232   1.3252   0.7933   1.4487  483.068  194.387  481.979  199.667 1.089447 278.6635 
1 1 1  -37    1   14 o  286.682  129.641  -0.2773   0.7315  -0.6137   1.2753  -0.1124   0.8930  359.050  165.660  332.293  147.231 26.75650 221.6313 
1 1 1  -37    1   15 o  424.528  154.058   0.8349   0.7766   1.5071   0.9582  -0.4523   1.3259  532.636  171.800  375.872  171.749 156.7647 242.9264 
1 1 1  -37    1   16 o  610.865  128.726   1.9119   0.7007   1.0633   0.9508   2.9207   1.0367  469.376  170.444  743.021  156.574 -273.6455 231.4440 
1 1 1  -37    3    1 o  306.219  125.975   0.2785   0.5713  -0.2187   0.8036   0.7864   0.8122  295.299  134.457  402.137  155.101 -106.8377 205.2678 
1 1 1  -37    3    2 o  1257.67   71.858   7.5909   0.8281   6.8761   1.1508   8.3586   1.1926  1166.68  108.440  1294.58  100.915 -127.9047 148.1318 
1 1 1  -37    3    3 o  804.913  109.313   3.2747   0.7887   2.9383   1.3464   3.4504   0.9731  691.298  200.160  808.081  135.683 -116.7828 241.8138 
1 1 1  -37    3    4 o  270.797  122.090  -0.1998   0.6432  -1.4449   1.0626   0.5200   0.8080  275.409  133.692  377.595  151.842 -102.1858 202.3100 
1 1 1  -37    3    5 o  1410.11   66.821   9.3946   0.8670   9.6083   1.2513   9.1973   1.2025  1402.63   97.559  1373.65   95.731 28.97974 136.6830 
1 1 1  -37    3    6 o  411.927  135.128   0.8532   0.5915   1.0333   0.8340   0.6709   0.8390  453.626  160.231  403.894  157.121 49.73212 224.4124 
1 1 1  -37    3    7 o  913.969   86.117   4.0267   0.7157   4.9904   1.0520   3.1963   0.9766  1000.49  116.447  784.563  140.427 215.9277 182.4273 
1 1 1  -37    3    8 o  916.775   83.741   4.0355   0.6986   4.1571   0.9926   3.9161   0.9835  910.498  121.503  881.459  124.742 29.03937 174.1362 
1 1 1  -37    3    9 o  991.955   78.615   4.6924   0.7117   4.3997   1.0117   4.9791   1.0013  939.047  119.819  1005.60  110.007 -66.55438 162.6592 
1 1 1  -37    3   10 o  2132.71   59.537   21.288   1.1684   19.333   1.6032   23.502   1.7063  2013.52   86.532  2222.79   83.423 -209.2684 120.1961 
1 1 1  -37    3   11 o  553.420  122.802   1.5620   0.6090   0.9569   0.8742   2.1326   0.8489  449.932  163.420  637.296  147.660 -187.3637 220.2491 
1 1 1  -37    3   12 o  1101.72   92.703   5.8510   0.9311   7.3384   1.7922   5.3011   1.0896  1176.18  170.570  1034.94  116.441 141.2380 206.5249 
1 1 1  -37    3   13 o  880.711  107.205   3.8134   0.8509   2.9957   1.4080   4.2838   1.0679  723.155  203.186  921.242  129.559 -198.0873 240.9775 
1 1 1  -37    3   14 o  520.510  138.357   1.4118   0.6740   0.4844   0.9245   2.4642   0.9848  395.395  161.180  678.649  160.264 -283.2541 227.2963 
1 1 1  -37    3   15 o  468.458  144.253   1.1321   0.6829   0.1765   0.9091   2.3700   1.0347  360.961  154.288  660.181  169.471 -299.2205 229.1836 
1 1 1  -37    3   16 o  409.744  179.051   0.1419   1.2791   0.1419   1.2791   0.0000   0.0000  409.744  179.051  ?   ?  0.000000 179.0506 
1 1 1  -37    5    1 o  585.653  123.109   1.8420   0.6424   1.3304   0.9257   2.3171   0.8921  477.483  168.796  633.964  154.368 -156.4801 228.7390 
1 1 1  -37    5    2 o  310.310  125.960   0.3108   0.5617  -0.3963   0.7560   1.1820   0.8391  273.841  126.767  461.585  160.892 -187.7441 204.8313 
1 1 1  -37    5    3 o  172.304   85.691  -1.2265   0.5312  -1.9996   0.6914  -0.1118   0.8301  180.384   90.845  312.359  139.939 -131.9754 166.8409 
1 1 1  -37    5    4 f  916.937   83.100   4.0788   0.6935   2.7687   0.9287   5.7306   1.0428  716.478  145.824  1070.62  107.295 -354.1377 181.0436 
1 1 1  -37    5    5 o  966.922   81.325   4.5093   0.7169   5.7576   1.0763   3.5141   0.9610  1073.46  110.547  823.171  131.286 250.2899 171.6289 
1 1 1  -37    5    6 o  1192.29   72.621   6.7682   0.7929   5.9540   1.1056   7.6308   1.1379  1093.47  111.434  1247.97   99.930 -154.5051 149.6783 
1 1 1  -37    5    7 o  309.503  126.295   0.2526   0.5684  -0.0622   0.7781   0.6128   0.8322  313.143  138.153  395.788  155.743 -82.64502 208.1880 
1 1 1  -37    5    8 o  592.065  119.223   1.7866   0.6271   4.0351   0.9616   0.1230   0.8271  896.507  119.545  340.618  146.421 555.8887 189.0236 
1 1 1  -37    5    9 o  488.407  136.583   1.2437   0.6378   1.4466   0.9873   1.0984   0.8355  521.303  174.714  465.812  160.649 55.49084 237.3456 
1 1 1  -37    5   10 o  492.139  143.038   1.2663   0.6864   0.2996   1.1063   1.8714   0.8752  399.490  170.464  590.248  158.011 -190.7577 232.4342 
1 1 1  -37    5   11 o  533.299  141.823   1.4924   0.7080   1.7504   1.2556   1.3721   0.8573  566.671  196.850  509.910  162.303 56.76120 255.1313 
1 1 1  -37    5   12 o  700.780  104.991   2.4287   0.6562   2.1920   0.9142   2.6802   0.9424  640.141  156.510  714.228  148.245 -74.08704 215.5734 
1 1 1  -37    5   13 o  753.959  110.424   2.8246   0.7434   3.5350   1.0662   2.1525   1.0370  824.220  145.918  625.749  173.868 198.4708 226.9846 
1 1 1  -37    5   14 o  962.525   89.455   4.4707   0.7832   4.9469   1.1072   3.9938   1.1081  992.664  123.910  879.662  141.714 113.0022 188.2462 
1 1 1  -37    5   15 f  350.813  141.857   0.3717   0.7095   1.0498   0.9395  -0.5279   1.0822  465.045  169.342  332.482  153.115 132.5631 228.3004 
1 1 1  -37    7    1 o  848.699  139.676   3.9934   1.0528   3.3277   1.3558   5.0045   1.6710  705.337  199.807  857.088  212.843 -151.7509 291.9331 
1 1 1  -37    7    2 o  442.454  147.623   1.0853   0.7049   0.4905   1.1477   1.4455   0.8931  398.336  171.859  496.474  166.173 -98.13770 239.0581 
1 1 1  -37    7    3 o  424.459  136.568   0.9648   0.6058   1.1178   0.8346   0.7945   0.8805  452.817  160.256  411.082  160.668 41.73575 226.9277 
1 1 1  -37    7    4 o  1274.33   73.184   7.7889   0.8546   7.1433   1.1715   8.5231   1.2493  1192.19  107.957  1305.93  104.851 -113.7349 150.4942 
1 1 1  -37    7    5 o  1151.06   82.571   6.4083   0.8688   5.1136   1.3379   7.3522   1.1424  971.089  154.929  1217.29  102.952 -246.2037 186.0166 
1 1 1  -37    7    6 o  671.878  118.364   2.3123   0.7050   1.0112   1.0564   3.3572   0.9467  458.830  176.911  802.782  132.806 -343.9520 221.2128 
1 1 1  -37    7    7 o  353.464  139.875   0.4543   0.6748  -1.0637   1.1098   1.3446   0.8499  302.690  144.226  499.065  161.891 -196.3748 216.8169 
1 1 1  -37    7    8 o  1051.34   86.735   5.3397   0.8316   5.3707   1.4147   5.3233   1.0279  1002.19  158.696  1035.41  109.555 -33.21692 192.8390 
1 1 1  -37    7    9 o  764.544  110.860   2.9217   0.7572   1.8676   1.2298   3.5652   0.9609  575.024  194.981  834.714  129.279 -259.6906 233.9458 
1 1 1  -37    7   10 o  694.367  113.047   2.4220   0.6974   2.2758   1.0151   2.5528   0.9599  642.258  169.350  689.690  155.021 -47.43201 229.5889 
1 1 1  -37    7   11 o  764.921  102.191   2.8868   0.7013   3.2016   1.0234   2.6082   0.9629  779.465  148.107  698.181  154.012 81.28381 213.6715 
1 1 1  -37    7   12 o  351.243  131.403   0.5176   0.5723   0.8784   0.7745   0.0837   0.8494  427.808  154.055  340.190  147.304 87.61856 213.1468 
1 1 1  -37    7   13 o  781.360  115.984   3.0646   0.8086   2.7451   1.0324   3.5716   1.3005  712.369  161.257  800.878  180.759 -88.50922 242.2349 
1 1 1  -37    7   14 o  233.836  114.532  -1.4420   0.8310  -2.1826   1.2196  -0.8002   1.1353  275.846  135.832  323.454  151.592 -47.60812 203.5446 
1 1 1  -37    7   15 o  553.330  168.498   1.6681   0.9350   0.0000   0.0000   1.6681   0.9350  ?   ?   553.330  168.498 0.000000 168.4984 
1 1 1  -37    9    1 o  1056.46   80.337   5.5218   0.7751   6.0184   1.1392   5.0938   1.0577  1061.31  118.685  973.701  120.631 87.60901 169.2276 
1 1 1  -37    9    2 o  362.660  141.469   0.6071   0.6817   1.8532   1.1088  -0.1499   0.8642  537.176  185.079  307.306  139.735 229.8703 231.9051 
1 1 1  -37    9    3 o  318.311  141.438   0.0119   0.8298   0.0000   0.0000   0.0119   0.8298  ?   ?   318.311  141.438 0.000000 141.4377 
1 1 1  -37    9    4 o  1358.90  102.931   9.2698   1.2775   0.0000   0.0000   9.2698   1.2775  ?   ?   1358.90  102.931 0.000000 102.9308 
1 1 1  -37    9    5 o  1603.01   77.359   12.360   1.1411   16.315   2.5345   11.354   1.2779  1715.73  162.473  1520.84   91.746 194.8873 186.5870 
1 1 1  -37    9    6 o  669.911  135.343   2.3909   0.8056   3.2530   1.6130   2.1044   0.9299  704.609  222.446  609.702  162.713 94.90778 275.6048 
1 1 1  -37    9    7 o  534.083  131.661   1.5163   0.6429   0.6376   0.9052   2.4107   0.9133  401.144  160.928  663.144  152.809 -262.0002 221.9204 
1 1 1  -37    9    8 o  770.570   93.054   2.9186   0.6464   1.9175   0.9133   3.9237   0.9151  585.937  163.293  880.596  115.740 -294.6588 200.1508 
1 1 1  -37    9    9 o  1235.03   73.225   7.2770   0.8284   9.3301   1.2606   5.7161   1.0991  1378.33  100.075  1067.57  113.635 310.7679 151.4199 
1 1 1  -37    9   10 o  732.790  100.837   2.6637   0.6619   3.2613   1.0002   2.1979   0.8829  785.281  143.712  636.170  152.757 149.1111 209.7326 
1 1 1  -37    9   11 o  1001.56   97.629   4.9191   0.8883   4.1158   1.0970   6.4490   1.5139  888.524  138.708  1101.87  153.484 -213.3478 206.8754 
1 1 1  -37    9   12 o  438.183  149.053   0.9795   0.7187   1.6816   0.9244  -0.0933   1.1427  551.421  167.459  367.858  164.538 183.5636 234.7659 
1 1 1  -37    9   13 o  372.277  139.253   0.6051   0.6427   0.1551   0.8432   1.2289   0.9927  344.476  147.953  486.294  174.486 -141.8179 228.7691 
1 1 1  -37    9   14 o  648.879  139.557   2.2197   0.8085   3.2416   1.4100   1.7192   0.9869  741.294  201.454  556.481  173.744 184.8134 266.0273 
1 1 1  -37   11    1 o  906.734   86.657   4.1593   0.7142   3.4312   0.9636   5.0470   1.0640  769.210  141.343  957.454  123.659 -188.2440 187.8012 
1 1 1  -37   11    2 o  781.049   94.083   3.1136   0.6626   4.0566   0.9646   2.2712   0.9117  862.254  125.232  608.877  160.464 253.3772 203.5481 
1 1 1  -37   11    3 o  1522.06   64.326   11.107   0.9009   11.955   1.2888   10.296   1.2599  1546.23   90.984  1427.63   96.472 118.6072 132.6083 
1 1 1  -37   11    4 o  506.593  130.475   1.4153   0.6119   0.8389   0.8298   2.1025   0.9060  406.864  156.814  595.681  161.312 -188.8167 224.9716 
1 1 1  -37   11    5 o  678.703  105.904   2.3629   0.6398   3.0448   0.9299   1.7498   0.8817  744.901  140.822  545.795  163.046 199.1055 215.4409 
1 1 1  -37   11    6 o  704.322  131.036   2.6518   0.8180   4.0753   1.6780   2.2081   0.9368  776.141  223.088  617.951  162.568 158.1900 276.0373 
1 1 1  -37   11    7 o  453.693  155.149   1.1179   0.7787  -0.7838   1.4421   1.9007   0.9252  357.006  168.414  573.325  165.909 -216.3184 236.4086 
1 1 1  -37   11    8 f  221.178  107.185  -0.9598   0.6755  -0.5459   0.9034  -1.4847   1.0172  292.896  136.598  263.556  128.578 29.33987 187.5936 
1 1 1  -37   11    9 o  311.575  131.188   0.1980   0.6407   0.4776   0.8115  -0.2646   1.0439  370.259  150.980  336.010  153.090 34.24915 215.0148 
1 1 1  -37   11   10 o  687.731  127.329   2.4723   0.7761   3.2509   1.0279   1.4397   1.1837  774.454  149.651  510.315  189.360 264.1382 241.3562 
1 1 1  -37   11   11 o  509.233  139.267   1.3962   0.6714   2.2603   0.9783   0.6270   0.9230  632.711  165.976  401.692  162.023 231.0186 231.9474 
1 1 1  -37   11   12 o  342.213  136.683   0.4109   0.6499   0.2894   0.8986   0.5442   0.9410  363.282  154.289  395.177  162.021 -31.89572 223.7313 
1 1 1  -37   11   13 o  339.016  145.115   0.1782   0.8063   0.4613   1.1288  -0.1166   1.1520  408.556  173.191  365.023  164.095 43.53348 238.5838 
1 1 1  -37   13    1 o  437.989  163.979   1.2547   0.8915   1.2547   0.8915   0.0000   0.0000  437.989  163.979  ?   ?  0.000000 163.9785 
1 1 1  -37   13    2 o  936.308  121.405   4.8219   1.0213   4.8219   1.0213   0.0000   0.0000  936.308  121.405  ?   ?  0.000000 121.4046 
1 1 1  -37   13    3 o  813.768  137.439   3.7544   0.9925   3.7544   0.9925   0.0000   0.0000  813.768  137.439  ?   ?  0.000000 137.4394 
1 1 1  -37   13    4 o  595.353  160.330   2.1559   0.8979   2.1559   0.8979   0.0000   0.0000  595.353  160.330  ?   ?  0.000000 160.3301 
1 1 1  -37   13    5 o  540.751  135.336   1.6429   0.6718   1.2663   0.8629   2.2224   1.0704  463.549  163.069  589.940  180.413 -126.3906 243.1875 
1 1 1  -37   13    6 o  276.973  124.036  -0.0879   0.6515   0.3420   0.8509  -0.6967   1.0127  350.951  149.620  295.962  140.080 54.98911 204.9597 
1 1 1  -37   13    7 o  241.986  111.730  -0.3172   0.5817  -0.5265   0.8457  -0.1293   0.8014  279.832  131.047  301.659  136.117 -21.82797 188.9474 
1 1 1  -37   13    8 o  864.835  112.016   3.8460   0.8705   1.6606   1.6649   4.6682   1.0212  524.887  215.394  946.807  119.898 -421.9197 246.5158 
1 1 1  -37   13    9 o  329.715  132.545   0.3882   0.6155   1.2322   0.9117  -0.3184   0.8342  470.218  167.375  294.545  135.195 175.6727 215.1561 
1 1 1  -37   13   10 o  335.763  133.509   0.4229   0.6175  -0.5624   0.8203   1.7109   0.9379  275.398  129.002  542.239  169.390 -266.8408 212.9192 
1 1 1  -37   13   11 o  504.155  139.114   1.3863   0.6664   2.4123   0.9546   0.4109   0.9308  652.857  160.120  375.490  158.112 277.3673 225.0287 
1 1 1  -37   13   12 o  529.972  212.215   1.5777   1.5709   1.5777   1.5709   0.0000   0.0000  529.972  212.215  ?   ?  0.000000 212.2147 
1 1 1  -37   15    1 o  704.822  260.657   6.0285   2.2391   0.0000   0.0000   6.0285   2.2391  ?   ?   704.822  260.657 0.000000 260.6567 
1 1 1  -37   15    2 o  387.034  185.666   0.0539   1.9073   0.0000   0.0000   0.0539   1.9073  ?   ?   387.034  185.666 0.000000 185.6664 
1 1 1  -37   15    3 o  292.888  126.791   0.1891   0.6290   0.0783   0.9496   0.2756   0.8395  324.381  147.105  328.500  144.261 -4.118988 206.0366 
1 1 1  -37   15    4 o  1134.11   96.008   6.6173   0.9925   5.3703   2.0828   6.9836   1.1289  758.109  253.761  1149.52  107.994 -391.4113 275.7849 
1 1 1  -37   15    5 o  627.264  146.618   2.3127   0.8311   2.2552   0.9218   2.5622   1.9208  602.700  162.509  550.363  229.112 52.33667 280.8941 
1 1 1  -37   15    6 o  620.362  143.771   2.2191   0.8047   1.9802   0.8865   3.3364   1.9170  568.463  161.755  624.106  238.897 -55.64343 288.5072 
1 1 1  -37   15    7 o  247.523  117.571  -0.6310   0.7260  -0.6081   0.8341  -0.7026   1.4745  269.427  127.400  351.536  167.146 -82.10898 210.1632 
1 1 1  -37   15    8 f  440.616  165.437   1.0813   0.9088  -0.5745   1.7559   1.6870   1.0621  386.961  183.524  519.434  181.008 -132.4735 257.7694 
1 1 1  -37   15    9 o  557.168  227.505   2.1762   1.8458   2.1762   1.8458   0.0000   0.0000  557.168  227.505  ?   ?  0.000000 227.5050 
1 1 1  -37   15   10 o  476.988  207.097   1.0477   1.6879   1.0477   1.6879   0.0000   0.0000  476.988  207.097  ?   ?  0.000000 207.0968 
1 1 1  -36    0    1 o  494.640  199.251   1.7746   0.8840   1.7746   0.8840   1.7746   0.8840  494.640  199.251  494.640  199.251 -0.000000 0.000000 
1 1 1  -36    0    2 o  189.076  129.910  -0.3855   0.7350  -0.3855   0.7350  -0.3855   0.7350  189.076  129.910  189.076  129.910 0.000000 0.000000 
1 1 1  -36    0    3 o  890.198  121.320   4.0700   0.9415   4.0700   0.9415   4.0700   0.9415  890.198  121.320  890.198  121.320 -0.000000 0.000000 
1 1 1  -36    0    4 f  430.625  186.948   1.3676   0.7660   1.3676   0.7660   1.3676   0.7660  430.625  186.948  430.625  186.948 -0.000000 0.000000 
1 1 1  -36    0    5 o  1596.77   87.945   12.249   1.2832   12.249   1.2832   12.249   1.2832  1596.77   87.945  1596.77   87.945 -0.000000 0.000000 
1 1 1  -36    0    6 o  335.199  182.150   0.8834   0.7921   0.8834   0.7921   0.8834   0.7921  335.199  182.150  335.199  182.150 -0.000000 0.000000 
1 1 1  -36    0    7 o  185.820  133.219  -1.4605   1.0716  -1.4605   1.0716  -1.4605   1.0716  185.820  133.219  185.820  133.219 -0.000000 0.000000 
1 1 1  -36    0    8 f  977.805  181.172   5.3851   1.4655   5.3851   1.4655   5.3851   1.4655  977.805  181.172  977.805  181.172 0.000000 0.000000 
1 1 1  -36    0    9 o  1224.80   98.664   7.3581   1.0954   7.3581   1.0954   7.3581   1.0954  1224.80   98.664  1224.80   98.664 0.000000 0.000000 
1 1 1  -36    0   10 o  607.252  179.638   2.3008   0.8729   2.3008   0.8729   2.3008   0.8729  607.252  179.638  607.252  179.638 0.000000 0.000000 
1 1 1  -36    0   11 o  640.904  172.174   2.4832   0.8775   2.4832   0.8775   2.4832   0.8775  640.904  172.174  640.904  172.174 -0.000000 0.000000 
1 1 1  -36    0   12 o  767.453  153.629   3.3083   0.9625   3.3083   0.9625   3.3083   0.9625  767.453  153.629  767.453  153.629 0.000000 0.000000 
1 1 1  -36    0   13 o  1486.82  101.095   10.956   1.3684   10.956   1.3684   10.956   1.3684  1486.82  101.095  1486.82  101.095 -0.000000 0.000000 
1 1 1  -36    0   14 o  1202.40  111.406   7.3720   1.2083   7.3720   1.2083   7.3720   1.2083  1202.40  111.406  1202.40  111.406 0.000000 0.000000 
1 1 1  -36    0   15 o  314.900  204.035   0.7378   1.3997   0.7378   1.3997   0.7378   1.3997  314.900  204.035  314.900  204.035 0.000000 0.000000 
1 1 1  -36    0   16 o  388.854  202.714   1.4212   0.9470   1.4212   0.9470   1.4212   0.9470  388.854  202.714  388.854  202.714 -0.000000 0.000000 
1 1 1  -36    0   17 o  1037.75  133.300   5.9293   1.2153   5.9293   1.2153   5.9293   1.2153  1037.75  133.300  1037.75  133.300 -0.000000 0.000000 
1 1 1  -36    2    1 o  767.593   91.127   2.9088   0.6311   2.4403   0.8612   3.4522   0.9274  669.608  144.045  811.867  128.414 -142.2590 192.9742 
1 1 1  -36    2    2 o  240.662  110.622  -0.3159   0.5613   0.1926   0.8269  -0.7502   0.7643  342.879  146.871  254.380  120.771 88.49852 190.1491 
1 1 1  -36    2    3 o  279.991  122.910  -0.0432   0.6088  -2.0828   0.9758   1.2571   0.7791  235.706  117.039  484.884  154.765 -249.1780 194.0369 
1 1 1  -36    2    4 o  372.550  136.952   0.6183   0.6166  -0.0187   0.9584   1.0680   0.8053  347.980  153.434  457.668  157.727 -109.6882 220.0451 
1 1 1  -36    2    5 o  1636.98   69.206   12.639   1.0424   13.074   1.8122   12.424   1.2744  1619.52  122.514  1610.03   86.336 9.490234 149.8784 
1 1 1  -36    2    6 o  364.844  131.404   0.5939   0.5635   0.4308   0.7949   0.7588   0.7990  371.611  150.193  415.167  155.275 -43.55603 216.0283 
1 1 1  -36    2    7 o  238.861  107.671  -0.2040   0.4999   0.3227   0.7219  -0.6896   0.6931  348.162  142.230  246.325  116.371 101.8372 183.7706 
1 1 1  -36    2    8 o  1263.03   66.567   7.5053   0.7709   7.8330   1.1150   7.2052   1.0670  1275.63   95.688  1223.26   95.557 52.36816 135.2302 
1 1 1  -36    2    9 o  1105.00   74.093   5.7759   0.7490   5.6525   1.0660   5.8962   1.0526  1076.17  109.163  1101.56  105.122 -25.39331 151.5493 
1 1 1  -36    2   10 o  1115.39   73.117   5.8775   0.7463   6.0025   1.0747   5.7611   1.0371  1111.36  106.389  1089.50  104.740 21.86096 149.2953 
1 1 1  -36    2   11 o  620.029  111.100   1.9083   0.6106   2.6784   0.9245   1.3126   0.8131  721.709  144.259  504.982  157.717 216.7268 213.7413 
1 1 1  -36    2   12 o  583.350  139.064   1.7536   0.7359   1.9138   0.9166   1.4631   1.2344  601.484  161.997  539.760  194.474 61.72479 253.1070 
1 1 1  -36    2   13 o  418.276  160.604   0.7047   0.8681   1.1618   1.2161   0.2299   1.2395  503.463  190.855  416.004  179.042 87.45847 261.6895 
1 1 1  -36    2   14 o  697.157  132.250   2.4706   0.8173   3.5684   1.3429   1.8245   1.0301  809.612  184.382  583.090  176.705 226.5213 255.3849 
1 1 1  -36    2   15 o  555.458  130.620   1.5836   0.6564   2.6497   0.9597   0.6466   0.8998  712.023  151.157  413.139  162.145 298.8835 221.6741 
1 1 1  -36    2   16 o  1150.78   92.993   6.3745   0.9763   6.2977   1.2194   6.5117   1.6294  1128.08  119.284  1114.58  163.760 13.50037 202.5984 
1 1 1  -36    2   17 o  605.440  144.723   1.9172   0.7953   1.3712   0.9684   3.0484   1.3939  513.923  173.028  732.967  200.759 -219.0439 265.0337 
1 1 1  -36    4    1 o  931.203   78.563   4.2030   0.6669   4.7202   0.9570   3.7147   0.9299  964.930  109.730  845.073  123.205 119.8565 164.9859 
1 1 1  -36    4    2 o  251.152  111.604  -0.0997   0.5168  -0.0429   0.7227  -0.1592   0.7392  300.918  132.932  293.202  131.657 7.716125 187.0943 
1 1 1  -36    4    3 o  787.300   86.118   3.0154   0.6137   3.0080   0.8521   3.0233   0.8846  764.296  125.523  763.004  130.699 1.292053 181.2137 
1 1 1  -36    4    4 o  449.451  129.740   1.0503   0.5664   1.1194   0.7706   0.9690   0.8354  463.535  154.343  443.276  159.946 20.25922 222.2712 
1 1 1  -36    4    5 o  1441.41   62.238   9.7605   0.8255   10.454   1.2026   9.1424   1.1352  1473.54   89.112  1377.01   90.085 96.52417 126.7133 
1 1 1  -36    4    6 o  1061.82   71.018   5.3429   0.6899   4.6409   0.9520   6.1194   1.0012  970.633  108.439  1122.42   97.915 -151.7877 146.1041 
1 1 1  -36    4    7 o  733.636   93.324   2.6165   0.6157   2.3745   0.8595   2.8717   0.8825  675.479  142.752  750.053  132.727 -74.57379 194.9216 
1 1 1  -36    4    8 o  1704.63   60.606   13.598   0.9506   12.438   1.3303   14.809   1.3590  1611.75   90.057  1765.49   83.652 -153.7340 122.9144 
1 1 1  -36    4    9 o  1644.05   60.767   12.643   0.9193   13.728   1.3562   11.721   1.2503  1696.45   87.177  1567.32   87.037 129.1331 123.1877 
1 1 1  -36    4   10 f  320.026  126.319   0.3273   0.5490   0.3959   0.7876   0.2624   0.7656  368.410  149.295  349.075  144.928 19.33484 208.0697 
1 1 1  -36    4   11 o  474.386  126.092   1.1466   0.5598   2.4198   0.8750   0.2641   0.7285  684.476  143.511  343.101  141.818 341.3754 201.7612 
1 1 1  -36    4   12 o  395.887  142.951   0.7017   0.6675   1.2424   1.2383   0.4803   0.7924  512.900  193.014  379.680  151.159 133.2201 245.1600 
1 1 1  -36    4   13 o  564.060  137.303   1.6434   0.7059   4.7751   1.4638   0.6943   0.8058  946.813  174.439  409.256  155.308 537.5563 233.5583 
1 1 1  -36    4   14 o  378.565  135.323   0.6455   0.5966   1.1186   0.8845   0.2508   0.8080  475.059  165.208  354.100  148.104 120.9586 221.8745 
1 1 1  -36    4   15 o  191.559   94.420  -1.2071   0.5941  -2.1595   0.8029  -0.0542   0.8834  201.340  100.920  336.085  147.780 -134.7457 178.9516 
1 1 1  -36    4   16 o  788.692  154.574   3.2676   1.0817   3.2676   1.0817   0.0000   0.0000  788.692  154.574  ?   ?  0.000000 154.5743 
1 1 1  -36    6    1 o  815.054   87.596   3.2766   0.6466   3.9041   0.9363   2.7043   0.8941  865.904  120.802  702.055  143.262 163.8495 187.3958 
1 1 1  -36    6    2 o  462.642  126.858   1.1390   0.5562   1.2784   0.7822   0.9965   0.7911  481.520  155.214  437.143  155.877 44.37683 219.9745 
1 1 1  -36    6    3 o  878.744   81.795   3.7396   0.6538   3.4399   0.8969   4.0793   0.9550  817.844  122.993  894.499  118.979 -76.65521 171.1233 
1 1 1  -36    6    4 o  908.239   81.192   3.9775   0.6714   5.0811   0.9516   2.8837   0.9474  1013.56  103.483  736.177  145.016 277.3791 178.1533 
1 1 1  -36    6    5 o  765.549   88.650   2.8505   0.6129   2.8228   0.8600   2.8791   0.8738  739.373  131.207  746.348  132.069 -6.974060 186.1652 
1 1 1  -36    6    6 o  1052.27   71.059   5.2559   0.6840   4.5446   0.9588   5.9931   0.9761  957.289  110.900  1109.98   96.529 -152.6943 147.0261 
1 1 1  -36    6    7 o  1071.95   85.439   5.5164   0.8357   4.4907   0.9627   8.6550   1.6840  952.360  111.991  1299.10  143.254 -346.7389 181.8345 
1 1 1  -36    6    8 o  808.370   84.075   3.1413   0.6162   3.1986   0.8972   3.0902   0.8479  795.161  126.884  784.247  121.416 10.91492 175.6173 
1 1 1  -36    6    9 o  1184.35   80.893   6.6842   0.8763   6.4346   1.5037   6.8126   1.0783  1117.01  150.100  1185.21   99.803 -68.20044 180.2522 
1 1 1  -36    6   10 o  427.118  144.334   0.8937   0.6739   0.0601   1.1139   1.3749   0.8463  382.424  167.101  512.435  161.042 -130.0106 232.0720 
1 1 1  -36    6   11 o  498.260  144.491   1.2892   0.7011   0.6082   1.2692   1.5883   0.8411  449.197  186.553  547.690  158.097 -98.49301 244.5340 
1 1 1  -36    6   12 o  388.580  132.299   0.7191   0.5662   0.6001   0.8344   0.8208   0.7709  398.953  156.271  422.751  153.475 -23.79813 219.0327 
1 1 1  -36    6   13 o  292.634  124.421   0.0831   0.5855  -0.5827   0.8424   0.7055   0.8145  286.136  132.930  410.266  156.031 -124.1302 204.9787 
1 1 1  -36    6   14 o  688.187  111.678   2.3590   0.6830   2.9514   1.0015   1.8441   0.9337  750.599  150.251  584.834  165.862 165.7646 223.7980 
1 1 1  -36    6   15 o  751.494  118.505   2.8317   0.7923   2.5482   0.9276   3.5968   1.5237  696.111  149.288  789.079  207.203 -92.96844 255.3825 
1 1 1  -36    6   16 o  453.399  171.609   0.9312   0.9823   0.9312   0.9823   0.0000   0.0000  453.399  171.609  ?   ?  0.000000 171.6092 
1 1 1  -36    8    1 o  300.903  124.352   0.2578   0.5599   0.2008   0.8070   0.3108   0.7776  332.669  143.815  340.062  143.927 -7.393158 203.4646 
1 1 1  -36    8    2 o  714.472   93.589   2.5461   0.6005   1.9821   0.8169   3.2092   0.8857  594.703  149.461  779.201  127.970 -184.4979 196.7609 
1 1 1  -36    8    3 o  649.028  132.720   2.2429   0.7659   1.9921   1.3606   2.3592   0.9266  569.993  204.303  649.215  156.864 -79.22229 257.5773 
1 1 1  -36    8    4 o  718.908  124.262   2.6766   0.7923   2.4032   1.4071   2.8035   0.9587  623.578  208.574  718.771  149.809 -95.19244 256.7996 
1 1 1  -36    8    5 o  348.696  145.293   0.3084   0.7735   0.0000   0.0000   0.3084   0.7735  ?   ?   348.696  145.293 0.000000 145.2926 
1 1 1  -36    8    6 o  488.516  136.954   1.2598   0.6404   1.1163   1.0217   1.3527   0.8220  473.128  175.853  501.506  158.846 -28.37823 236.9736 
1 1 1  -36    8    7 o  530.015  133.386   1.4723   0.6500   0.4093   1.0377   2.1588   0.8339  398.082  167.249  637.677  145.351 -239.5951 221.5835 
1 1 1  -36    8    8 o  528.753  134.570   1.4626   0.6564   2.8730   1.2059   0.8688   0.7825  715.444  182.569  427.326  154.703 288.1180 239.3003 
1 1 1  -36    8    9 o  1481.18   66.659   10.329   0.9085   9.7389   1.3380   10.835   1.2376  1412.43  103.671  1500.60   90.044 -88.16541 137.3154 
1 1 1  -36    8   10 o  467.329  129.824   1.1277   0.5782   1.0448   0.8820   1.1902   0.7658  460.786  164.558  478.700  153.504 -17.91415 225.0395 
1 1 1  -36    8   11 o  478.830  132.531   1.1876   0.6038   0.7770   0.8668   1.5745   0.8415  423.193  160.958  542.586  158.575 -119.3927 225.9503 
1 1 1  -36    8   12 o  810.712   91.821   3.1892   0.6729   3.3254   0.9595   3.0573   0.9439  805.879  134.109  769.596  138.377 36.28339 192.7010 
1 1 1  -36    8   13 o  1227.70   82.002   7.2063   0.9210   6.6367   1.1338   8.3113   1.5793  1162.64  107.189  1278.32  136.368 -115.6715 173.4523 
1 1 1  -36    8   14 o  1156.23   90.231   6.4487   0.9524   6.9463   1.1966   5.5887   1.5732  1186.63  110.873  1015.28  174.693 171.3443 206.9072 
1 1 1  -36    8   15 o  1035.21   89.413   5.1737   0.8434   3.9302   1.1379   6.6891   1.2562  866.836  147.973  1157.59  119.662 -290.7590 190.3024 
1 1 1  -36    8   16 o  372.573  155.384   0.3407   0.8858   0.3407   0.8858   0.0000   0.0000  372.573  155.384  ?   ?  0.000000 155.3841 
1 1 1  -36   10    1 o  1012.06   76.770   5.0130   0.7096   4.9011   1.0134   5.1206   0.9940  964.646  116.526  992.035  110.783 -27.38873 160.7829 
1 1 1  -36   10    2 o  504.014  122.751   1.3716   0.5640   2.0331   0.8127   0.7569   0.7834  597.830  148.418  394.506  152.278 203.3240 212.6418 
1 1 1  -36   10    3 o  1301.33   69.678   8.1222   0.8313   7.3042   1.1441   9.0371   1.2100  1204.02  104.297  1346.27   98.359 -142.2505 143.3604 
1 1 1  -36   10    4 o  444.160  134.721   1.0585   0.5986   1.6782   0.8472   0.4408   0.8458  543.740  159.170  368.250  152.561 175.4900 220.4765 
1 1 1  -36   10    5 o  566.116  118.612   1.6672   0.5981   0.9667   0.8344   2.4076   0.8578  436.362  159.482  666.911  143.992 -230.5489 214.8675 
1 1 1  -36   10    6 o  559.405  141.669   1.6880   0.7300   2.1315   1.4983   1.5499   0.8359  591.606  214.089  529.100  158.921 62.50543 266.6271 
1 1 1  -36   10    7 o  418.001  144.615   0.8784   0.6773  -1.2080   1.3817   1.5384   0.7771  336.340  160.443  531.616  151.506 -195.2764 220.6722 
1 1 1  -36   10    8 o  464.671  133.190   1.1340   0.5989   1.0402   0.8636   1.2208   0.8311  453.753  162.755  479.642  160.301 -25.88907 228.4418 
1 1 1  -36   10    9 o  1045.81   77.570   5.2360   0.7412   5.4665   1.1090   5.0500   0.9963  1043.34  117.562  1008.20  109.139 35.14288 160.4131 
1 1 1  -36   10   10 o  617.734  111.182   1.9261   0.6087   1.4606   0.8674   2.3781   0.8546  519.300  163.006  670.619  142.859 -151.3187 216.7473 
1 1 1  -36   10   11 o  729.399  113.540   2.6766   0.7373   3.2324   0.9722   1.9243   1.1310  787.152  139.322  582.917  186.509 204.2354 232.8013 
1 1 1  -36   10   12 o  838.279  103.483   3.4740   0.7813   3.3365   0.9936   3.6967   1.2645  799.332  140.207  817.770  173.418 -18.43726 223.0061 
1 1 1  -36   10   13 o  996.238   89.196   4.8088   0.8090   6.4310   1.1931   3.4284   1.1007  1134.45  115.927  800.196  155.082 334.2574 193.6219 
1 1 1  -36   10   14 o  627.974  127.624   2.0406   0.7123   1.9159   0.9874   2.1758   1.0286  586.559  171.873  623.772  173.099 -37.21320 243.9338 
1 1 1  -36   10   15 o  461.821  169.760   1.0526   0.9473   0.8347   1.1982   1.4161   1.5473  455.338  184.272  532.470  211.463 -77.13138 280.4865 
1 1 1  -36   12    1 o  449.505  147.557   1.1995   0.7053   1.7143   0.7867  -0.9074   1.5916  531.163  152.780  346.879  167.221 184.2840 226.5049 
1 1 1  -36   12    2 o  287.767  127.573   0.0093   0.6714   0.1355   0.7406  -0.5726   1.5901  311.614  136.207  367.061  174.249 -55.44650 221.1677 
1 1 1  -36   12    3 o  492.986  152.264   1.4099   0.7603   1.4985   0.8600   1.0927   1.6266  502.016  162.846  469.689  203.614 32.32666 260.7252 
1 1 1  -36   12    4 f  362.049  142.709   0.5620   0.6998   0.9873   0.7817  -1.1544   1.5705  428.562  154.709  350.123  168.097 78.43839 228.4544 
1 1 1  -36   12    5 o  599.121  116.599   1.8780   0.6197   1.2106   0.8712   2.5613   0.8816  466.470  163.862  681.445  145.042 -214.9754 218.8334 
1 1 1  -36   12    6 o  354.191  131.539   0.5742   0.5714   0.6642   0.8133   0.4866   0.8030  391.042  153.941  368.097  150.150 22.94528 215.0416 
1 1 1  -36   12    7 o  543.081  133.464   1.5843   0.6622   0.5221   0.8382   3.3485   1.0802  377.958  153.702  778.395  156.240 -400.4377 219.1695 
1 1 1  -36   12    8 o  414.789  159.025   0.7991   0.8503  -0.2747   1.5188   1.2893   1.0262  396.593  182.177  487.529  177.064 -90.93665 254.0469 
1 1 1  -36   12    9 o  1231.79   80.786   7.3181   0.9106   7.3336   1.1771   7.2950   1.4370  1212.86  106.550  1183.71  134.311 29.14661 171.4416 
1 1 1  -36   12   10 o  1010.80   87.936   4.9748   0.8097   3.9355   0.9937   7.0285   1.3969  872.481  127.546  1164.40  132.751 -291.9234 184.0940 
1 1 1  -36   12   11 o  644.453  121.307   2.1460   0.6930   2.9848   0.9848   1.3235   0.9752  743.837  149.076  493.839  173.374 249.9977 228.6534 
1 1 1  -36   12   12 o  624.517  126.744   2.0356   0.7035   1.5197   0.9624   2.6275   1.0308  522.136  172.416  685.636  165.310 -163.5002 238.8617 
1 1 1  -36   12   13 o  758.444  120.907   2.9464   0.8155   2.8622   0.9911   3.1228   1.4348  725.947  153.186  714.910  206.521 11.03760 257.1322 
1 1 1  -36   12   14 o  717.569  126.659   2.6644   0.8057   1.6541   1.1948   3.5071   1.0912  541.208  191.717  806.882  152.559 -265.6742 245.0093 
1 1 1  -36   14    1 o  745.463   99.149   2.9235   0.6632   2.2808   0.8889   3.7306   0.9961  597.998  158.855  796.352  141.107 -198.3544 212.4758 
1 1 1  -36   14    2 o  366.975  134.522   0.7255   0.5943   0.6713   0.7970   0.7935   0.8919  370.567  150.174  390.403  158.634 -19.83667 218.4418 
1 1 1  -36   14    3 o  226.689  106.656  -0.4313   0.5714  -0.9048   0.7558   0.2002   0.8728  235.401  113.909  332.968  146.640 -97.56696 185.6838 
1 1 1  -36   14    4 o  414.698  139.183   0.9592   0.6266   1.4821   0.8218   0.2330   0.9684  496.227  159.009  350.567  154.420 145.6599 221.6511 
1 1 1  -36   14    5 o  411.125  157.230   0.8818   0.8299   0.8818   0.8299   0.0000   0.0000  411.125  157.230  ?   ?  0.000000 157.2297 
1 1 1  -36   14    6 o  975.214  119.167   4.9809   1.0471   4.9809   1.0471   0.0000   0.0000  975.214  119.167  ?   ?  0.000000 119.1668 
1 1 1  -36   14    7 o  353.960  132.986   0.5810   0.5874   0.4915   0.8034   0.6837   0.8610  364.756  149.646  393.153  157.221 -28.39691 217.0542 
1 1 1  -36   14    8 o  252.415  117.808  -0.4553   0.6739   0.2956   0.8857  -1.4880   1.0386  355.217  152.073  264.973  129.413 90.24396 199.6843 
1 1 1  -36   14    9 o  1094.88  112.363   6.1120   1.1160   7.8159   2.0758   5.4194   1.3235  1119.30  209.241  995.607  149.051 123.6897 256.9011 
1 1 1  -36   14   10 o  234.359  110.931  -0.5953   0.6354  -0.7441   0.8186  -0.3699   1.0076  263.564  125.091  320.770  147.729 -57.20581 193.5757 
1 1 1  -36   14   11 o  799.510   99.419   3.1965   0.7156   3.0277   0.9638   3.4039   1.0683  745.602  145.704  785.275  153.346 -39.67273 211.5295 
1 1 1  -36   14   12 o  780.362   91.308   3.0058   0.6433   3.1292   0.9648   2.9071   0.8631  761.634  142.909  741.994  131.215 19.64050 194.0108 
1 1 1  -36   14   13 o  527.334  137.777   1.5046   0.6759   2.6844   1.2007   0.9573   0.8178  669.990  187.417  433.505  157.971 236.4858 245.1121 
1 1 1  -36   16    1 o  319.366  141.377   0.2816   0.8216   0.1268   0.9060   0.9982   1.9496  315.235  143.238  416.154  196.166 -100.9185 242.8951 
1 1 1  -36   16    2 o  572.762  118.969   1.8505   0.6065   2.5680   0.8761   1.1900   0.8405  642.161  150.828  429.300  159.514 212.8613 219.5309 
1 1 1  -36   16    3 o  569.797  119.978   1.8149   0.6092   1.1125   0.8075   2.7425   0.9280  424.976  156.655  666.911  154.280 -241.9349 219.8709 
1 1 1  -36   16    4 o  591.521  119.187   1.9270   0.6263   1.6814   0.7991   2.3183   1.0085  520.550  155.158  593.359  173.650 -72.80902 232.8698 
1 1 1  -36   16    5 o  363.661  135.193   0.6854   0.6039   0.5189   0.7747   0.9434   0.9642  354.169  146.308  415.295  166.270 -61.12592 221.4763 
1 1 1  -36   16    6 o  263.906  117.039  -0.0232   0.5656   0.1978   0.7416  -0.3305   0.8745  317.248  137.507  293.062  135.903 24.18616 193.3337 
1 1 1  -36   16    7 o  357.445  144.887   0.5332   0.7420   0.4962   0.8432   0.6600   1.5621  363.325  151.572  432.020  192.868 -68.69449 245.3000 
1 1 1  -36   16    8 o  468.062  133.607   1.2221   0.6039   1.3139   0.8067   1.1050   0.9106  474.151  157.919  443.508  165.786 30.64291 228.9618 
1 1 1  -36   16    9 o  267.721  111.524   0.1658   0.4556   1.7423   0.8498  -0.4699   0.5396  543.561  159.495  218.665  103.114 324.8966 189.9244 
1 1 1  -36   16   10 o  463.652  167.293   1.2193   0.9139   1.0737   1.6994   1.2786   1.0839  477.656  207.595  473.672  180.036 3.984467 274.7886 
1 1 1  -36   16   11 o  591.763  138.755   1.9314   0.7424   3.5145   1.8048   1.6089   0.8146  691.219  236.196  528.523  156.452 162.6964 283.3125 
1 1 1  -36   18    5 o  390.204  187.355  -0.1865   1.9518   0.0000   0.0000  -0.1865   1.9518  ?   ?   390.204  187.355 0.000000 187.3545 
1 1 1  -36   18    6 o  307.338  151.190  -1.6774   1.4986  -1.6774   1.4986   0.0000   0.0000  307.338  151.190  ?   ?  0.000000 151.1902 
1 1 1  -36   18    7 o  193.267   94.643  -0.9175   0.5666   0.0000   0.0000  -0.9175   0.5666  ?   ?   193.267   94.643 0.000000 94.64252 
1 1 1  -35    1    1 o  1057.37   74.959   5.3543   0.7246   5.3449   1.0361   5.3633   1.0137  1033.19  110.704  1037.10  107.804 -3.915649 154.5220 
1 1 1  -35    1    2 o  441.998  143.634   1.0095   0.6689   1.2693   1.1999   0.8923   0.8057  500.197  189.586  429.931  156.780 70.26602 246.0139 
1 1 1  -35    1    3 o  1098.73   84.163   5.7981   0.8444   5.4792   1.4496   5.9620   1.0389  1014.96  160.562  1102.52  103.619 -87.56055 191.0945 
1 1 1  -35    1    4 o  821.120   85.647   3.2479   0.6376   4.2699   0.9358   2.3624   0.8711  929.054  111.704  671.178  145.258 257.8759 183.2425 
1 1 1  -35    1    5 o  748.672   87.246   2.7036   0.5898   3.9049   0.8694   1.6797   0.8027  891.421  108.212  564.041  151.460 327.3808 186.1448 
1 1 1  -35    1    6 o  914.846   78.006   3.9815   0.6504   3.5059   0.9025   4.4954   0.9381  839.384  120.288  958.568  108.252 -119.1848 161.8263 
1 1 1  -35    1    7 o  951.869   86.328   4.3320   0.7479   4.2871   0.9100   4.4253   1.3128  937.419  107.441  922.313  160.513 15.10553 193.1525 
1 1 1  -35    1    8 o  636.506  117.923   2.0216   0.6652   2.0997   0.8080   1.8573   1.1721  639.460  141.096  590.100  189.980 49.36066 236.6446 
1 1 1  -35    1    9 o  986.556   73.767   4.5971   0.6648   5.0803   0.9593   4.1506   0.9222  1025.18  103.090  922.226  110.893 102.9557 151.4089 
1 1 1  -35    1   10 o  982.902   74.752   4.5641   0.6710   4.1254   0.9145   5.0760   0.9877  920.192  110.191  1023.66  106.411 -103.4706 153.1839 
1 1 1  -35    1   11 o  564.034  113.025   1.5821   0.5662   1.1075   0.8040   2.0489   0.7974  474.012  157.641  633.290  140.512 -159.2788 211.1735 
1 1 1  -35    1   12 f  569.492  117.099   1.6196   0.5931   2.0014   0.8955   1.3213   0.7917  619.872  156.863  508.702  155.081 111.1693 220.5812 
1 1 1  -35    1   13 f  1281.81   68.163   7.7143   0.8011   8.6057   1.1738   6.9373   1.0960  1341.24   95.738  1201.44  100.047 139.8048 138.4742 
1 1 1  -35    1   14 o  1540.90   65.961   11.111   0.9352   9.9800   1.2867   12.378   1.3618  1443.17   97.462  1611.12   92.242 -167.9558 134.1921 
1 1 1  -35    1   15 o  535.374  149.149   1.4850   0.7621   1.5274   1.2689   1.4611   0.9531  550.438  197.297  531.503  171.335 18.93518 261.3080 
1 1 1  -35    1   16 o  729.695  118.077   2.6496   0.7657   3.4947   0.9489   1.0721   1.2965  835.312  127.498  499.660  195.050 335.6524 233.0240 
1 1 1  -35    1   17 o  883.232   92.968   3.7639   0.7442   4.4008   1.0816   3.1913   1.0256  937.019  128.856  785.930  147.227 151.0895 195.6515 
1 1 1  -35    1   18 o  567.563  179.680   1.7312   1.0518   1.7312   1.0518   0.0000   0.0000  567.563  179.680  ?   ?  0.000000 179.6796 
1 1 1  -35    3    1 o  1467.67   63.085   10.171   0.8520   11.410   1.2267   9.0156   1.1842  1534.64   87.227  1356.89   95.450 177.7496 129.3033 
1 1 1  -35    3    2 o  690.345   97.677   2.3556   0.6032   0.9429   0.7856   4.3844   0.9414  435.512  155.330  936.669  111.410 -501.1577 191.1532 
1 1 1  -35    3    3 o  1401.29   64.048   9.2403   0.8258   8.6617   1.1266   9.9125   1.2142  1338.21   92.049  1431.47   92.677 -93.26160 130.6216 
1 1 1  -35    3    4 o  317.036  124.067   0.3461   0.5256   0.4720   0.7099   0.1936   0.7818  364.058  143.658  341.336  144.382 22.72183 203.6758 
1 1 1  -35    3    5 o  1627.93   60.130   12.406   0.9007   12.801   1.2817   12.020   1.2661  1637.47   85.361  1585.41   87.120 52.05811 121.9688 
1 1 1  -35    3    6 o  434.107  127.316   0.9535   0.5416   1.2354   0.7826   0.6943   0.7503  489.813  154.980  402.803  150.505 87.00961 216.0342 
1 1 1  -35    3    7 o  911.166   82.024   3.9596   0.6803   5.2026   0.9869   2.8338   0.9392  1034.38  105.146  743.075  142.543 291.3067 177.1277 
1 1 1  -35    3    8 o  950.696   75.187   4.2802   0.6524   4.5920   0.9570   4.0096   0.8916  970.222  109.088  905.908  109.161 64.31396 154.3249 
1 1 1  -35    3    9 o  849.443   83.051   3.4408   0.6408   3.2962   0.8956   3.5924   0.9174  814.564  123.346  852.448  120.298 -37.88428 172.2958 
1 1 1  -35    3   10 o  402.510  127.643   0.7906   0.5306  -0.3536   0.7040   2.2959   0.8074  276.259  125.811  672.740  135.128 -396.4819 184.6292 
1 1 1  -35    3   11 o  370.939  128.401   0.6273   0.5340   0.7075   0.7923   0.5605   0.7229  412.415  154.546  383.152  146.689 29.26273 213.0778 
1 1 1  -35    3   12 o  238.245  111.982  -0.5988   0.6272  -0.6588   0.7572  -0.4676   1.1195  264.779  124.000  348.266  158.623 -83.48715 201.3386 
1 1 1  -35    3   13 o  1294.53  103.465   8.0784   1.2222   8.9198   1.7029   7.1846   1.7551  1335.80  140.652  1179.45  166.338 156.3545 217.8329 
1 1 1  -35    3   14 o  852.113  104.832   3.5333   0.8046   3.2879   1.3020   3.6850   1.0235  780.446  184.256  856.270  134.317 -75.82385 228.0160 
1 1 1  -35    3   15 o  531.396  130.537   1.4426   0.6337   1.9025   0.8955   0.9812   0.8969  600.880  159.351  458.682  165.693 142.1986 229.8846 
1 1 1  -35    3   16 o  509.560  149.550   1.3473   0.7471   1.8674   0.8903   0.1093   1.3734  593.809  159.536  422.848  185.137 170.9610 244.3920 
1 1 1  -35    3   17 f  679.481  164.965   2.4691   1.0211   2.4691   1.0211   0.0000   0.0000  679.481  164.965  ?   ?  0.000000 164.9647 
1 1 1  -35    3   18 o  288.524  134.315  -0.6240   0.8671  -0.6240   0.8671   0.0000   0.0000  288.524  134.315  ?   ?  0.000000 134.3151 
1 1 1  -35    5    1 o  1010.64   73.885   4.8991   0.6823   5.1945   0.9732   4.6135   0.9569  1020.16  105.184  956.981  110.714 63.17462 152.7130 
1 1 1  -35    5    2 o  843.929   83.150   3.4473   0.6373   3.9776   0.8959   2.9039   0.9068  890.208  111.838  743.240  137.663 146.9683 177.3658 
1 1 1  -35    5    3 o  1617.87   59.127   12.286   0.8802   12.234   1.2120   12.345   1.2805  1597.42   82.739  1601.11   87.243 -3.692627 120.2377 
1 1 1  -35    5    4 o  746.097   89.211   2.7030   0.6003   2.4445   0.8190   3.0031   0.8825  687.242  134.332  766.134  129.811 -78.89221 186.8047 
1 1 1  -35    5    5 o  1978.60   57.137   18.307   1.0403   17.905   1.4295   18.760   1.5167  1941.73   80.006  1985.18   83.029 -43.44775 115.3032 
1 1 1  -35    5    6 o  958.718   73.817   4.3615   0.6462   4.9565   0.9213   3.7855   0.9066  1009.77  100.492  873.722  115.600 136.0497 153.1726 
1 1 1  -35    5    7 o  373.403  125.908   0.6599   0.5128   0.3648   0.7062   0.9891   0.7458  351.662  141.764  448.163  151.842 -96.50137 207.7331 
1 1 1  -35    5    8 o  377.572  127.618   0.6723   0.5268   0.5500   0.7419   0.7966   0.7482  382.404  148.028  418.872  151.335 -36.46796 211.6945 
1 1 1  -35    5    9 f  868.421   80.861   3.5927   0.6387   4.5185   0.9492   2.8266   0.8635  962.092  109.154  749.167  129.967 212.9252 169.7235 
1 1 1  -35    5   10 o  399.521  129.962   0.7735   0.5476   1.2094   0.8010   0.3911   0.7503  488.519  157.023  363.455  146.263 125.0640 214.5903 
1 1 1  -35    5   11 o  335.168  127.396   0.4224   0.5428   0.2887   0.7984   0.5373   0.7401  358.893  148.417  381.442  147.792 -22.54910 209.4521 
1 1 1  -35    5   12 o  360.371  138.754   0.4798   0.6491   1.0554   1.1949   0.2388   0.7732  492.041  188.543  348.954  145.322 143.0870 238.0484 
1 1 1  -35    5   13 o  950.198   94.124   4.3430   0.8121   2.5375   1.2335   5.7244   1.0790  681.201  189.750  1084.12  109.671 -402.9197 219.1640 
1 1 1  -35    5   14 o  1153.98   73.798   6.2923   0.7795   6.4613   1.0994   6.1214   1.1055  1154.44  104.631  1121.31  108.499 33.12305 150.7302 
1 1 1  -35    5   15 o  280.096  120.544   0.0179   0.5618   0.3691   0.7549  -0.4181   0.8411  360.119  146.083  298.824  136.639 61.29465 200.0260 
1 1 1  -35    5   16 o  840.107  125.724   3.5419   0.9420   3.4671   1.1885   3.6683   1.5449  807.769  165.470  801.919  207.703 5.849670 265.5580 
1 1 1  -35    5   17 o  759.762  155.894   3.0409   1.0533   3.0409   1.0533   0.0000   0.0000  759.762  155.894  ?   ?  0.000000 155.8938 
1 1 1  -35    5   18 o  913.256  219.804   4.8639   1.8248   0.0000   0.0000   4.8639   1.8248  ?   ?   913.256  219.804 0.000000 219.8043 
1 1 1  -35    7    1 o  750.848  106.329   2.8509   0.7141   3.7053   1.3840   2.5408   0.8336  783.137  193.242  688.974  136.321 94.16229 236.4867 
1 1 1  -35    7    2 o  1067.21   84.290   5.5190   0.8210   6.0077   1.4725   5.2985   0.9890  1053.21  156.718  1030.93  105.751 22.28821 189.0603 
1 1 1  -35    7    3 o  1139.48   83.174   6.2574   0.8661   5.9046   1.5177   6.4277   1.0546  1043.58  163.416  1142.65  101.357 -99.07532 192.2968 
1 1 1  -35    7    4 o  565.360  131.888   1.6711   0.6735  -0.4489   1.1135   2.8942   0.8458  340.227  156.176  751.739  126.787 -411.5127 201.1614 
1 1 1  -35    7    5 o  981.101   86.269   4.6356   0.7709   1.7498   1.2793   6.2811   0.9660  563.825  198.523  1139.12   92.970 -575.2950 219.2143 
1 1 1  -35    7    6 o  445.560  125.150   1.0162   0.5343   1.5123   0.7689   0.5532   0.7429  534.565  150.135  379.945  147.833 154.6197 210.7012 
1 1 1  -35    7    7 o  321.200  122.401   0.3899   0.5018   1.2280   0.7193  -0.4050   0.7005  486.544  147.701  269.175  123.676 217.3690 192.6430 
1 1 1  -35    7    8 o  728.039   93.195   2.5720   0.6100   2.3822   0.8732   2.7529   0.8525  677.156  144.544  736.496  130.570 -59.34009 194.7862 
1 1 1  -35    7    9 o  1129.44   79.427   6.0621   0.8202   5.5998   1.3602   6.3262   1.0281  1047.89  144.952  1144.22   98.615 -96.32605 175.3166 
1 1 1  -35    7   10 o  634.785  120.370   2.0256   0.6774   2.1517   1.2175   1.9690   0.8152  625.838  192.585  614.891  146.213 10.94690 241.7997 
1 1 1  -35    7   11 o  973.860   90.663   4.5546   0.8031   3.2360   1.2968   5.3750   1.0229  769.799  185.301  1050.09  107.371 -280.2892 214.1611 
1 1 1  -35    7   12 o  588.628  113.344   1.7319   0.5916   2.2845   0.8891   1.2928   0.7926  661.812  149.523  500.459  155.617 161.3524 215.8091 
1 1 1  -35    7   13 o  786.683   92.332   2.9909   0.6557   3.0876   0.9518   2.9035   0.9045  777.891  138.027  755.348  135.094 22.54352 193.1370 
1 1 1  -35    7   14 o  1680.02   64.249   13.232   0.9932   13.748   1.4182   12.735   1.3914  1694.31   91.303  1629.21   93.203 65.09961 130.4720 
1 1 1  -35    7   15 o  431.149  147.941   0.9069   0.7081   1.5067   0.9005  -0.0651   1.1464  533.061  165.888  376.938  166.923 156.1230 235.3340 
1 1 1  -35    7   16 o  883.408  105.128   3.8296   0.8378   3.8445   1.1243   3.8109   1.2563  860.835  147.226  843.265  167.807 17.56934 223.2367 
1 1 1  -35    7   17 o  717.805  115.217   2.5780   0.7353   2.8544   1.0556   2.3175   1.0247  730.210  161.396  652.321  169.262 77.88861 233.8767 
1 1 1  -35    9    1 o  1589.41   65.683   12.032   0.9606   12.707   1.5525   11.612   1.2229  1586.95  106.937  1540.28   86.632 46.67847 137.6252 
1 1 1  -35    9    2 o  1043.32   71.149   5.2169   0.6790   4.4265   0.9358   6.0954   0.9866  934.435  111.012  1109.12   97.667 -174.6891 147.8596 
1 1 1  -35    9    3 o  1233.86   82.031   7.3514   0.9260   8.3507   1.0962   4.8616   1.7304  1307.81   91.674  886.093  214.518 421.7141 233.2856 
1 1 1  -35    9    4 o  628.901  119.204   2.0311   0.6646   2.3114   1.0463   1.8415   0.8605  638.685  173.517  578.406  157.448 60.27838 234.3033 
1 1 1  -35    9    5 o  203.719   97.664  -0.6734   0.5258  -1.0553   0.8006  -0.3836   0.6974  245.804  118.522  267.896  123.201 -22.09258 170.9561 
1 1 1  -35    9    6 o  490.470  151.618   1.2721   0.7536   0.0000   0.0000   1.2721   0.7536  ?   ?   490.470  151.618 0.000000 151.6181 
1 1 1  -35    9    7 o  721.842  129.183   2.6664   0.8265   0.0000   0.0000   2.6664   0.8265  ?   ?   721.842  129.183 0.000000 129.1826 
1 1 1  -35    9    8 o  1049.01   82.071   5.2647   0.7859   5.1143   1.3125   5.3487   0.9813  993.140  148.150  1045.95  103.304 -52.80878 180.6104 
1 1 1  -35    9    9 o  808.539   90.992   3.1648   0.6652   3.7081   1.0089   2.7469   0.8848  853.913  132.704  730.667  136.623 123.2462 190.4632 
1 1 1  -35    9   10 o  798.228   87.865   3.0736   0.6347   3.3504   0.9349   2.8370   0.8644  813.366  129.239  746.534  130.587 66.83215 183.7274 
1 1 1  -35    9   11 o  1226.37   71.932   7.1151   0.8082   6.9175   1.1591   7.3021   1.1274  1189.66  107.028  1226.51  100.790 -36.84998 147.0157 
1 1 1  -35    9   12 o  837.247   89.073   3.3825   0.6757   3.3441   1.0019   3.4146   0.9151  806.345  140.122  823.794  124.612 -17.44904 187.5163 
1 1 1  -35    9   13 o  901.661   97.204   3.9534   0.7937   4.6918   1.0489   2.9638   1.2142  970.098  120.068  732.598  181.133 237.5001 217.3145 
1 1 1  -35    9   14 o  964.017   96.345   4.5156   0.8432   4.2931   1.0231   4.9867   1.4887  924.572  123.334  959.858  175.004 -35.28595 214.0979 
1 1 1  -35    9   15 o  713.761  111.182   2.5418   0.7064   3.6943   1.0001   1.3940   0.9980  850.867  132.010  514.112  175.644 336.7546 219.7211 
1 1 1  -35    9   16 o  996.830   87.572   4.7902   0.7951   5.7221   1.1452   3.9228   1.1048  1071.04  118.169  869.358  143.086 201.6856 185.5735 
1 1 1  -35    9   17 o  583.433  135.896   1.7783   0.7160   1.3104   1.2560   2.0035   0.8715  512.619  194.045  610.789  154.846 -98.17084 248.2554 
1 1 1  -35   11    1 o  1047.97   87.355   5.4380   0.8347   5.9224   0.9533   3.8462   1.7280  1085.68   96.428  722.596  230.465 363.0806 249.8250 
1 1 1  -35   11    2 o  344.225  136.937   0.4657   0.6499   0.4233   0.7313   0.6250   1.4172  348.889  142.913  434.180  189.133 -85.29147 237.0563 
1 1 1  -35   11    3 f  661.799  123.315   2.2984   0.7233   1.8412   0.8123   4.0490   1.5894  573.339  151.642  793.686  213.125 -220.3464 261.5675 
1 1 1  -35   11    4 o  695.964  121.154   2.5090   0.7477   3.1173   0.8667   0.7396   1.4782  773.974  126.038  458.151  196.310 315.8232 233.2876 
1 1 1  -35   11    5 o  713.038   95.178   2.5144   0.6089   2.0493   0.8377   3.0352   0.8865  612.699  149.836  762.624  131.057 -149.9255 199.0642 
1 1 1  -35   11    6 o  393.168  132.198   0.7712   0.5653   0.9076   0.8400   0.6584   0.7642  432.562  159.713  391.625  150.616 40.93747 219.5298 
1 1 1  -35   11    7 o  414.045  133.285   0.8732   0.5769   0.7188   0.8470   1.0069   0.7880  409.279  158.239  445.692  155.880 -36.41315 222.1220 
1 1 1  -35   11    8 o  1237.99   81.720   7.3502   0.9257   7.1879   1.8225   7.4066   1.0746  1142.28  179.295  1233.77   95.399 -91.49207 203.0948 
1 1 1  -35   11    9 f  746.517   90.299   2.7140   0.6077   2.6667   0.8593   2.7614   0.8594  716.725  135.259  731.175  132.622 -14.44989 189.4292 
1 1 1  -35   11   10 o  1107.84   73.647   5.8390   0.7465   5.2348   1.0408   6.4789   1.0712  1026.90  111.965  1150.14  102.284 -123.2365 151.6514 
1 1 1  -35   11   11 o  591.522  123.834   1.7979   0.6524   1.6228   0.8236   2.0929   1.0690  548.840  155.815  611.739  178.706 -62.89941 237.0950 
1 1 1  -35   11   12 o  341.763  135.569   0.3988   0.6353   0.5032   0.8130   0.2352   1.0180  380.323  152.531  379.653  162.799 0.6703796 223.0908 
1 1 1  -35   11   13 o  940.741   97.437   4.3274   0.8312   5.9110   1.1052   2.2651   1.2612  1091.27  111.635  625.836  196.582 465.4375 226.0686 
1 1 1  -35   11   14 o  469.052  123.720   1.1399   0.5417   1.4144   0.8665   0.9638   0.6940  512.384  163.181  435.734  146.473 76.65042 219.2771 
1 1 1  -35   11   15 o  377.328  124.459   0.7017   0.5015   0.1226   0.8349   1.0286   0.6273  340.430  146.727  445.286  138.444 -104.8568 201.7312 
1 1 1  -35   11   16 o  261.363  115.713  -0.0986   0.5506   0.6353   1.0740  -0.3603   0.6412  423.674  173.329  257.409  118.290 166.2659 209.8461 
1 1 1  -35   13    1 o  1104.71   67.746   5.9113   0.6853   5.5858   0.9384   6.2833   1.0033  1045.05   98.752  1107.93   99.472 -62.87598 140.1661 
1 1 1  -35   13    2 o  1042.41   67.942   5.2438   0.6481   4.6527   0.8993   5.8824   0.9349  952.366  104.333  1081.03   94.945 -128.6682 141.0670 
1 1 1  -35   13    3 o  550.240  113.511   1.5947   0.5556   0.3466   0.7198   3.4353   0.8741  336.167  140.124  807.083  121.466 -470.9159 185.4416 
1 1 1  -35   13    4 o  852.729   80.917   3.5524   0.6273   4.2237   0.8998   2.9175   0.8751  909.369  109.748  736.459  134.068 172.9108 173.2593 
1 1 1  -35   13    5 o  763.451  115.322   3.0007   0.7849   3.8453   0.9107   0.5606   1.5478  863.907  117.615  444.892  195.618 419.0159 228.2535 
1 1 1  -35   13    6 f  622.057  132.469   2.0628   0.7350   1.5249   0.8280   4.0617   1.5961  521.217  158.531  800.520  212.965 -279.3033 265.4926 
1 1 1  -35   13    7 o  242.510  110.811  -0.2663   0.5519  -0.5346   0.7410   0.0680   0.8272  263.361  123.122  329.635  144.021 -66.27341 189.4756 
1 1 1  -35   13    8 o  421.843  135.409   0.9255   0.5958   0.1197   0.7593   2.2159   0.9609  324.376  139.870  627.660  164.416 -303.2838 215.8610 
1 1 1  -35   13    9 o  207.336  102.476  -1.4506   0.7164  -0.5661   1.3210  -1.8191   0.8527  359.156  166.723  221.036  109.696 138.1206 199.5746 
1 1 1  -35   13   10 o  994.916   88.597   4.8161   0.8026   3.5323   0.9990   7.1535   1.3480  820.633  137.136  1183.45  125.707 -362.8187 186.0338 
1 1 1  -35   13   11 o  527.885  128.506   1.4675   0.6183   1.0873   0.8496   1.8957   0.9017  457.814  161.717  583.394  162.138 -125.5799 229.0001 
1 1 1  -35   13   12 o  344.026  122.952   0.5450   0.4924   0.3086   0.8554   0.6622   0.6022  360.006  151.585  375.741  135.771 -15.73492 203.4987 
1 1 1  -35   13   13 o  760.543   81.948   2.8040   0.5644   2.2896   0.8973   3.1409   0.7261  647.503  153.020  795.070  101.569 -147.5672 183.6612 
1 1 1  -35   13   14 o  644.123   99.483   2.0680   0.5706   1.5869   0.9667   2.3252   0.7069  532.565  172.648  673.701  118.356 -141.1360 209.3219 
1 1 1  -35   13   15 o  377.524  160.861   0.3091   0.9826   0.0000   0.0000   0.3091   0.9826  ?   ?   377.524  160.861 0.000000 160.8611 
1 1 1  -35   15    1 o  540.412  112.917   1.6022   0.5434   1.3749   0.7216   1.8999   0.8259  471.888  148.767  548.896  156.101 -77.00754 215.6367 
1 1 1  -35   15    2 o  868.164   81.469   3.7620   0.6432   3.3882   0.8429   4.2833   0.9953  789.822  119.726  881.965  126.242 -92.14240 173.9863 
1 1 1  -35   15    3 o  663.416  105.163   2.2997   0.6206   1.9778   0.8226   2.7248   0.9454  576.420  152.666  678.509  154.836 -102.0892 217.4422 
1 1 1  -35   15    4 o  397.801  132.591   0.8593   0.5687   0.3580   0.7337   1.6135   0.8999  336.004  140.876  514.513  166.554 -178.5084 218.1424 
1 1 1  -35   15    5 o  485.796  129.053   1.2973   0.5867   2.3561   0.8232   0.2044   0.8363  649.172  141.774  335.760  145.778 313.4115 203.3496 
1 1 1  -35   15    6 o  551.758  144.016   1.7123   0.7390   1.7558   0.8291   1.5442   1.6296  550.514  156.356  510.981  211.734 39.53290 263.2085 
1 1 1  -35   15    7 o  341.378  140.017   0.3919   0.7031   0.4155   0.8026   0.3143   1.4579  356.882  148.292  416.129  186.010 -59.24762 237.8874 
1 1 1  -35   15    8 o  412.987  130.965   0.9061   0.5586   0.7711   0.7959   1.0372   0.7843  401.676  153.886  439.425  155.363 -37.74936 218.6746 
1 1 1  -35   15    9 o  309.024  125.676   0.2975   0.5604   0.3496   0.8329   0.2543   0.7576  355.513  149.625  334.675  141.877 20.83844 206.1959 
1 1 1  -35   15   10 o  297.246  131.714  -0.0443   0.7149  -1.4525   1.5672   0.3257   0.8033  343.439  165.656  349.643  147.040 -6.204193 221.5010 
1 1 1  -35   15   11 o  323.901  121.114   0.4550   0.4861  -0.4036   0.8094   0.9391   0.6079  285.087  131.691  421.438  136.921 -136.3508 189.9731 
1 1 1  -35   15   12 o  274.347  112.385   0.1940   0.4522   0.2430   0.8252   0.1729   0.5407  344.823  147.181  289.052  121.047 55.77060 190.5641 
1 1 1  -35   15   13 o  468.385  170.772   1.1761   0.9559   0.0000   0.0000   1.1761   0.9559  ?   ?   468.385  170.772 0.000000 170.7718 
1 1 1  -35   17    1 o  751.721   82.591   2.8950   0.5619   2.1507   0.7830   3.6853   0.8068  585.317  145.893  819.018  109.817 -233.7012 182.6048 
1 1 1  -35   17    2 o  336.603  123.450   0.6040   0.5006   0.2537   0.6831   1.0102   0.7356  305.358  132.164  406.587  149.570 -101.2292 199.5965 
1 1 1  -35   17    3 o  285.214  118.189   0.2686   0.5078  -0.0316   0.7078   0.5868   0.7289  283.753  127.993  352.454  143.333 -68.70078 192.1623 
1 1 1  -35   17    4 o  550.353  113.426   1.6466   0.5553   2.0159   0.7622   1.2286   0.8107  584.806  142.863  447.670  157.994 137.1357 213.0065 
1 1 1  -35   17    5 o  565.749  111.160   1.7143   0.5580   0.6449   0.7491   3.0480   0.8365  367.870  146.805  744.374  126.669 -376.5040 193.8984 
1 1 1  -35   17    6 o  305.180  122.840   0.3481   0.5294  -0.3319   0.7128   1.1846   0.7905  265.027  122.829  448.981  156.182 -183.9538 198.6952 
1 1 1  -35   17    7 o  447.669  144.693   1.1449   0.6794   1.3647   0.7594   0.2635   1.5207  481.978  152.682  405.290  184.701 76.68884 239.6376 
1 1 1  -35   17    8 o  286.564  115.778   0.2732   0.4721   0.3842   0.7386   0.1964   0.6140  340.599  141.955  300.175  127.512 40.42426 190.8150 
1 1 1  -35   17    9 o  192.677   90.639  -0.3674   0.4124  -0.3003   0.7608  -0.3953   0.4907  279.414  128.568  212.110   99.488 67.30447 162.5657 
1 1 1  -35   17   10 o  240.380  119.967  -2.3224   1.0799  -1.6169   1.5218  -3.0380   1.5327  325.561  158.484  284.302  142.046 41.25851 212.8243 
1 1 1  -35   17   11 o  962.156  125.531   4.8900   1.0849   3.2848   1.8047   5.7984   1.3576  663.939  235.573  1023.88  148.426 -359.9420 278.4335 
1 1 1  -35   19    2 o  635.472  246.339   4.9231   2.0569   0.0000   0.0000   4.9231   2.0569  ?   ?   635.472  246.339 0.000000 246.3395 
1 1 1  -35   19    3 f  290.124  130.756   0.0557   0.7369   0.0000   0.0000   0.0557   0.7369  ?   ?   290.124  130.756 0.000000 130.7564 
1 1 1  -35   19    4 o  319.158  125.423   0.4872   0.5390   1.1688   0.7619  -0.1957   0.7627  429.405  152.991  275.987  127.608 153.4178 199.2233 
1 1 1  -35   19    5 o  282.896  111.738   0.3312   0.4298   0.2796   0.6874   0.3643   0.5508  310.891  133.557  304.200  124.255 6.691559 182.4189 
1 1 1  -35   19    6 o  358.157  145.353   0.6078   0.7478   0.3961   1.7368   0.6559   0.8285  407.307  189.772  369.695  151.855 37.61160 243.0498 
1 1 1  -35   19    7 o  318.788  151.507  -0.6047   1.2089   0.8473   1.6834  -2.1508   1.7371  434.045  196.436  319.229  158.101 114.8152 252.1561 
1 1 1  -35   19    8 o  319.559  157.112  -1.7938   1.6106  -1.7938   1.6106   0.0000   0.0000  319.559  157.112  ?   ?  0.000000 157.1123 
1 1 1  -34    0    1 o  984.541  108.159   4.8117   0.9497   4.8117   0.9497   4.8117   0.9497  984.541  108.159  984.541  108.159 0.000000 0.000000 
1 1 1  -34    0    2 o  2216.25  110.315   23.815   2.2370   23.815   2.2370   23.815   2.2370  2216.25  110.315  2216.25  110.315 -0.000000 0.000000 
1 1 1  -34    0    3 o  1338.34  126.620   8.9435   1.5273   8.9435   1.5273   8.9435   1.5273  1338.34  126.620  1338.34  126.620 -0.000000 0.000000 
1 1 1  -34    0    4 o  1094.69   99.377   5.8471   0.9821   5.8471   0.9821   5.8471   0.9821  1094.69   99.377  1094.69   99.377 -0.000000 0.000000 
1 1 1  -34    0    5 o  747.145  129.362   2.9229   0.8094   2.9229   0.8094   2.9229   0.8094  747.145  129.362  747.145  129.362 0.000000 0.000000 
1 1 1  -34    0    6 o  1445.83   84.844   9.9755   1.1199   9.9755   1.1199   9.9755   1.1199  1445.83   84.844  1445.83   84.844 0.000000 0.000000 
1 1 1  -34    0    7 o  873.082  110.854   3.8241   0.8515   3.8241   0.8515   3.8241   0.8515  873.082  110.854  873.082  110.854 -0.000000 0.000000 
1 1 1  -34    0    8 o  202.326  134.784  -0.1227   0.6788  -0.1227   0.6788  -0.1227   0.6788  202.326  134.784  202.326  134.784 0.000000 0.000000 
1 1 1  -34    0    9 o  798.274  119.114   3.2654   0.8176   3.2654   0.8176   3.2654   0.8176  798.274  119.114  798.274  119.114 -0.000000 0.000000 
1 1 1  -34    0   10 o  1804.84   80.399   15.469   1.3292   15.469   1.3292   15.469   1.3292  1804.84   80.399  1804.84   80.399 -0.000000 0.000000 
1 1 1  -34    0   11 o  516.961  182.067   1.7573   0.7862   1.7573   0.7862   1.7573   0.7862  516.961  182.067  516.961  182.067 0.000000 0.000000 
1 1 1  -34    0   12 o  811.927  125.027   3.4254   0.8682   3.4254   0.8682   3.4254   0.8682  811.927  125.027  811.927  125.027 -0.000000 0.000000 
1 1 1  -34    0   13 o  1217.13  106.285   7.3305   1.1695   7.3305   1.1695   7.3305   1.1695  1217.13  106.285  1217.13  106.285 -0.000000 0.000000 
1 1 1  -34    0   14 o  645.931  174.405   2.5238   0.8959   2.5238   0.8959   2.5238   0.8959  645.931  174.405  645.931  174.405 -0.000000 0.000000 
1 1 1  -34    0   15 o  444.382  206.074   1.6020   0.9324   1.6020   0.9324   1.6020   0.9324  444.382  206.074  444.382  206.074 0.000000 0.000000 
1 1 1  -34    0   16 o  1495.17  141.657   11.857   1.9087   11.857   1.9087   11.857   1.9087  1495.17  141.657  1495.17  141.657 0.000000 0.000000 
1 1 1  -34    0   17 o  1199.57  113.533   7.4070   1.2274   7.4070   1.2274   7.4070   1.2274  1199.57  113.533  1199.57  113.533 -0.000000 0.000000 
1 1 1  -34    0   18 o  482.860  197.048   1.8356   0.8613   1.8356   0.8613   1.8356   0.8613  482.860  197.048  482.860  197.048 0.000000 0.000000 
1 1 1  -34    2    1 o  839.332   80.319   3.3928   0.6128   3.4517   0.8614   3.3325   0.8718  827.275  116.378  810.099  120.635 17.17633 167.6205 
1 1 1  -34    2    2 o  1881.50   56.331   16.572   0.9753   17.121   1.3881   16.038   1.3705  1896.22   79.557  1833.97   81.212 62.25293 113.6863 
1 1 1  -34    2    3 o  625.807   95.579   1.9225   0.5329   1.7781   0.7618   2.0610   0.7458  581.245  143.340  631.807  132.510 -50.56165 195.2057 
1 1 1  -34    2    4 o  1248.20   62.866   7.3212   0.7197   7.1419   0.9902   7.5220   1.0480  1220.21   88.800  1250.74   91.696 -30.53088 127.6462 
1 1 1  -34    2    5 o  377.321  125.960   0.6796   0.5132   1.2382   0.7207   0.1054   0.7308  489.905  147.658  324.931  138.596 164.9737 202.5138 
1 1 1  -34    2    6 o  934.722   71.090   4.1281   0.6069   3.8972   0.8398   4.3804   0.8779  894.906  103.919  950.273  101.997 -55.36639 145.6113 
1 1 1  -34    2    7 o  854.420   92.908   3.5116   0.7187   2.8281   0.8423   5.3413   1.3781  751.976  126.198  1023.72  150.816 -271.7449 196.6501 
1 1 1  -34    2    8 o  910.597   88.735   3.9638   0.7341   4.4100   0.9128   3.1467   1.2351  953.669  105.797  768.661  178.114 185.0085 207.1658 
1 1 1  -34    2    9 o  1345.48   61.407   8.4450   0.7603   8.0095   1.0419   8.9409   1.1119  1298.40   87.721  1371.70   88.562 -73.30383 124.6523 
1 1 1  -34    2   10 o  653.152   97.314   2.0685   0.5670   2.1370   0.7905   1.9960   0.8138  649.657  136.571  624.572  144.469 25.08569 198.8035 
1 1 1  -34    2   11 o  435.071  123.310   0.9434   0.5163   0.8312   0.7470   1.0460   0.7142  427.882  151.593  460.938  148.293 -33.05603 212.0642 
1 1 1  -34    2   12 o  603.589  109.529   1.7935   0.5859   1.7447   0.8506   1.8376   0.8083  581.265  155.841  598.511  147.673 -17.24670 214.6943 
1 1 1  -34    2   13 o  1174.69   70.105   6.4804   0.7543   5.8042   1.0546   7.1886   1.0793  1097.30  105.760  1226.63   96.402 -129.3329 143.1031 
1 1 1  -34    2   14 o  664.541  110.739   2.1704   0.6533   1.2368   0.9186   3.1261   0.9294  500.407  168.519  790.936  132.377 -290.5284 214.2952 
1 1 1  -34    2   15 o  1346.91   81.906   8.5860   1.0103   7.4242   1.6458   9.2885   1.2799  1212.76  150.730  1391.43  100.641 -178.6786 181.2408 
1 1 1  -34    2   16 f  1157.83   89.313   6.3960   0.9442   6.1805   1.1444   6.8555   1.6708  1126.78  111.856  1154.81  161.668 -28.03345 196.5920 
1 1 1  -34    2   17 o  807.253  111.124   3.2029   0.8036   3.2039   0.9696   3.2007   1.4359  794.516  137.611  756.993  202.277 37.52289 244.6482 
1 1 1  -34    2   18 o  700.802  129.006   2.4868   0.8012   1.9602   0.9301   4.0020   1.5777  606.730  163.088  842.892  205.320 -236.1614 262.2100 
1 1 1  -34    2   19 o  977.373  125.989   4.7734   1.1067   4.7734   1.1067   0.0000   0.0000  977.373  125.989  ?   ?  0.000000 125.9889 
1 1 1  -34    4    1 o  864.216   78.717   3.5923   0.6191   4.9300   0.8994   2.3877   0.8535  1001.61   98.876  670.083  142.793 331.5262 173.6845 
1 1 1  -34    4    2 o  1407.13   61.631   9.3052   0.7980   9.9421   1.1298   8.6711   1.1273  1438.20   85.762  1338.44   92.090 99.75964 125.8399 
1 1 1  -34    4    3 o  378.690  124.430   0.7009   0.5015   0.6761   0.6617   0.7345   0.7687  387.972  141.984  407.354  152.313 -19.38214 208.2274 
1 1 1  -34    4    4 o  1543.04   58.135   11.136   0.8254   10.700   1.1346   11.626   1.2031  1498.10   82.626  1560.81   84.078 -62.71423 117.8822 
1 1 1  -34    4    5 o  898.580   73.191   3.8296   0.5999   4.7474   0.8907   3.0674   0.8117  989.400   99.164  785.885  115.703 203.5148 152.3834 
1 1 1  -34    4    6 o  802.701   79.312   3.0723   0.5781   2.3060   0.7822   3.9951   0.8583  673.925  130.854  905.266  104.993 -231.3407 167.7683 
1 1 1  -34    4    7 o  1140.11   65.453   6.1049   0.6838   5.7333   0.9404   6.5216   0.9960  1092.77   94.455  1166.36   93.588 -73.58838 132.9683 
1 1 1  -34    4    8 f  687.614   90.386   2.2796   0.5580   1.9616   0.7811   2.6110   0.7975  618.564  140.445  723.205  124.319 -104.6412 187.5636 
1 1 1  -34    4    9 o  956.675   74.700   4.3241   0.6524   5.7593   0.9565   3.0760   0.8920  1096.20   95.791  785.468  127.814 310.7354 159.7256 
1 1 1  -34    4   10 o  936.907   76.620   4.1513   0.6548   4.3387   0.8999   3.9406   0.9545  946.978  105.044  895.998  118.688 50.97913 158.4961 
1 1 1  -34    4   11 o  469.950  124.437   1.1110   0.5466   0.8504   0.7518   1.4031   0.7961  430.770  152.134  523.538  154.586 -92.76828 216.8909 
1 1 1  -34    4   12 o  518.800  137.804   1.3697   0.6690   1.2022   0.8134   1.7201   1.1761  490.587  158.292  576.362  190.616 -85.77496 247.7713 
1 1 1  -34    4   13 o  392.032  154.423   0.5226   0.8189  -0.0893   1.0721   1.3796   1.2688  369.471  162.624  537.538  196.630 -168.0668 255.1666 
1 1 1  -34    4   14 o  1038.50   91.676   5.1539   0.8670   4.4633   1.4625   5.5282   1.0767  919.793  179.236  1066.67  111.337 -146.8797 211.0009 
1 1 1  -34    4   15 o  703.432  114.734   2.4449   0.7170   1.6819   0.8493   4.3379   1.3378  568.079  157.173  913.459  165.242 -345.3798 228.0532 
1 1 1  -34    4   16 o  476.823  136.010   1.1582   0.6260   0.9027   0.8372   1.4822   0.9428  443.329  160.095  534.309  170.215 -90.98047 233.6739 
1 1 1  -34    4   17 o  683.596  167.075   2.4947   1.0421   2.4947   1.0421   0.0000   0.0000  683.596  167.075  ?   ?  0.000000 167.0750 
1 1 1  -34    4   18 o  567.191  140.773   1.6721   0.7313   1.4060   0.9817   2.0037   1.0960  520.314  174.217  606.256  181.943 -85.94196 251.9025 
1 1 1  -34    4   19 o  677.229  173.944   2.4932   1.0897   0.0000   0.0000   2.4932   1.0897  ?   ?   677.229  173.944 0.000000 173.9444 
1 1 1  -34    6    1 o  1432.81   70.916   9.7496   0.9350   8.3209   1.5717   10.532   1.1632  1266.02  137.105  1476.28   86.000 -210.2551 161.8453 
1 1 1  -34    6    2 o  1010.02   88.159   4.9400   0.8111   4.2424   1.3917   5.2988   0.9982  871.279  179.564  1034.91  106.330 -163.6324 208.6848 
1 1 1  -34    6    3 o  1378.60   74.252   9.0310   0.9384   9.3774   1.6991   8.8790   1.1257  1353.77  138.345  1356.41   90.716 -2.633179 165.4352 
1 1 1  -34    6    4 o  272.888  119.808  -0.0658   0.5787   0.1228   1.0239  -0.1543   0.7014  372.683  161.554  290.786  129.569 81.89676 207.0938 
1 1 1  -34    6    5 o  246.306  112.254  -0.2892   0.5618  -1.8556   1.1621   0.1886   0.6418  280.222  136.867  317.034  132.245 -36.81180 190.3185 
1 1 1  -34    6    6 o  335.905  123.367   0.4705   0.5002   0.5393   0.6880   0.3934   0.7284  372.948  143.033  358.773  144.204 14.17468 203.1087 
1 1 1  -34    6    7 o  1029.91   68.427   4.9988   0.6448   6.0878   0.9439   4.0460   0.8829  1126.73   91.838  910.096  107.507 216.6352 141.3926 
1 1 1  -34    6    8 o  1533.77   59.231   10.979   0.8359   11.084   1.2012   10.881   1.1640  1526.99   85.840  1513.99   83.883 13.00745 120.0205 
1 1 1  -34    6    9 o  417.489  126.183   0.8656   0.5258   0.9450   0.7398   0.7846   0.7474  443.235  151.228  418.581  151.249 24.65356 213.8835 
1 1 1  -34    6   10 o  492.345  122.236   1.2234   0.5512   1.7518   0.7890   0.7194   0.7705  582.329  147.171  411.738  152.773 170.5906 212.1293 
1 1 1  -34    6   11 o  224.198  104.171  -0.4162   0.5176   1.0862   1.0326  -0.9204   0.5982  485.226  177.403  209.194  101.254 276.0314 204.2653 
1 1 1  -34    6   12 o  415.444  137.559   0.8299   0.6125   0.9858   1.0435   0.7480   0.7564  473.478  177.377  414.635  151.803 58.84317 233.4670 
1 1 1  -34    6   13 o  530.653  126.112   1.4257   0.6067   1.6992   0.9031   1.2007   0.8191  569.881  163.618  488.937  158.948 80.94366 228.1126 
1 1 1  -34    6   14 o  777.384   89.460   2.9029   0.6283   3.2543   0.8784   2.5350   0.8989  810.108  121.595  703.336  143.748 106.7722 188.2791 
1 1 1  -34    6   15 o  1222.62   74.619   7.0610   0.8355   7.4522   1.1615   6.6415   1.2026  1242.11  102.537  1165.96  113.536 76.14758 152.9843 
1 1 1  -34    6   16 o  324.227  139.339   0.0650   0.7487  -0.7708   0.8905   2.0807   1.3829  284.337  133.576  615.252  206.771 -330.9156 246.1640 
1 1 1  -34    6   17 o  644.274  157.910   2.2034   0.9289   2.2034   0.9289   0.0000   0.0000  644.274  157.910  ?   ?  0.000000 157.9103 
1 1 1  -34    6   18 o  605.142  152.876   1.9398   0.8515   3.8111   1.1221  -0.6017   1.3077  857.865  147.461  364.593  168.054 493.2721 223.5773 
1 1 1  -34    8    1 o  1191.48   64.350   6.7350   0.7029   6.1306   0.9669   7.4122   1.0236  1116.97   94.980  1231.98   90.933 -115.0145 131.4910 
1 1 1  -34    8    2 o  745.842   85.728   2.7073   0.5777   3.3664   0.8289   2.0849   0.8055  817.204  113.272  623.880  143.325 193.3234 182.6818 
1 1 1  -34    8    3 f  506.225  119.414   1.3214   0.5472   2.1999   0.7710   0.4294   0.7769  649.392  133.482  365.315  148.191 284.0773 199.4441 
1 1 1  -34    8    4 f  1514.53   59.478   10.756   0.8289   11.082   1.1523   10.406   1.1932  1522.10   82.581  1470.64   88.591 51.46863 121.1113 
1 1 1  -34    8    5 o  690.087   95.049   2.3279   0.5875   3.5196   0.8859   1.3920   0.7850  839.009  118.011  513.219  153.974 325.7899 193.9961 
1 1 1  -34    8    6 o  335.617  131.992   0.3826   0.5974   0.1879   1.1355   0.4571   0.7025  395.543  170.795  362.301  142.925 33.24194 222.7072 
1 1 1  -34    8    7 o  664.253  116.536   2.2072   0.6863   2.8401   1.3087   1.9671   0.8061  712.987  194.213  614.116  144.969 98.87036 242.3521 
1 1 1  -34    8    8 o  606.080  100.069   1.8043   0.5386   2.0209   0.7777   1.6047   0.7467  626.334  138.602  555.340  144.671 70.99432 200.3499 
1 1 1  -34    8    9 o  484.048  130.258   1.1957   0.5929   0.8764   0.9722   1.3848   0.7482  450.755  170.700  516.993  149.074 -66.23779 226.6311 
1 1 1  -34    8   10 o  553.627  124.940   1.5543   0.6214   1.9922   1.0877   1.3421   0.7571  608.594  180.935  509.867  150.806 98.72751 235.5418 
1 1 1  -34    8   11 o  986.620   85.717   4.6462   0.7705   4.5086   1.2647   4.7275   0.9715  937.555  151.788  984.555  109.072 -46.99988 186.9128 
1 1 1  -34    8   12 o  541.205  114.693   1.4684   0.5534   1.6014   0.7894   1.3399   0.7761  554.482  150.754  509.584  153.141 44.89828 214.8925 
1 1 1  -34    8   13 o  283.518  120.894   0.0534   0.5557   0.1930   0.7643  -0.1033   0.8095  341.572  143.522  319.720  140.992 21.85257 201.1894 
1 1 1  -34    8   14 o  648.630  110.160   2.0853   0.6340   2.1631   0.8491   1.9873   0.9530  645.143  146.390  610.576  165.488 34.56683 220.9443 
1 1 1  -34    8   15 o  511.829  144.230   1.3611   0.7084   1.0987   0.8539   1.9405   1.2688  470.708  162.398  595.946  198.027 -125.2375 256.1013 
1 1 1  -34    8   16 o  655.271  120.334   2.1656   0.6988   3.4527   1.0306   1.0704   0.9508  819.047  141.892  470.722  170.513 348.3247 221.8288 
1 1 1  -34    8   17 o  1251.14   68.560   7.3912   0.7863   9.5355   1.3583   6.3103   0.9643  1397.33  106.438  1143.78   92.414 253.5509 140.9586 
1 1 1  -34    8   18 o  532.258  144.929   1.4923   0.7289   2.7253   1.0048   0.1224   1.0591  715.198  156.985  377.776  164.035 337.4220 227.0504 
1 1 1  -34   10    1 o  927.193  107.248   4.3414   0.8981   4.8661   1.0897   3.2299   1.5860  967.138  125.396  696.670  220.650 270.4678 253.7921 
1 1 1  -34   10    2 o  888.664  105.453   3.9539   0.8455   3.7773   1.0210   4.3393   1.5082  847.125  135.552  852.991  196.236 -5.865723 238.5019 
1 1 1  -34   10    3 o  363.495  144.035   0.4950   0.7164  -0.0037   0.8288   1.9685   1.4247  325.191  143.061  577.760  208.812 -252.5682 253.1185 
1 1 1  -34   10    4 o  1239.44   72.572   7.3110   0.8241   7.7015   1.2851   7.0383   1.0740  1243.11  113.599  1199.72   98.144 43.38403 150.1228 
1 1 1  -34   10    5 o  1182.52   72.315   6.6432   0.7831   5.5986   1.2232   7.3686   1.0194  1049.67  129.380  1234.95   90.332 -185.2837 157.7944 
1 1 1  -34   10    6 o  186.328   90.837  -0.8604   0.5051   0.2415   0.8171  -1.5422   0.6427  351.906  148.160  187.913   93.583 163.9933 175.2401 
1 1 1  -34   10    7 o  541.524  125.101   1.5056   0.6108   1.1035   1.0213   1.7295   0.7622  477.821  176.166  573.213  144.532 -95.39218 227.8686 
1 1 1  -34   10    8 o  1043.60  102.656   5.3087   0.9730   0.0000   0.0000   5.3087   0.9730  ?   ?   1043.60  102.656 0.000000 102.6561 
1 1 1  -34   10    9 o  742.390   90.283   2.6670   0.6040   1.4811   0.8292   4.0077   0.8817  529.797  158.090  903.310  108.230 -373.5128 191.5889 
1 1 1  -34   10   10 o  273.119  116.305   0.0554   0.5131  -0.7476   0.7108   0.9291   0.7414  246.611  116.905  437.474  151.304 -190.8639 191.2057 
1 1 1  -34   10   11 o  990.492   77.310   4.6642   0.6990   4.5137   0.9947   4.8111   0.9825  955.830  115.437  990.377  109.657 -34.54663 159.2177 
1 1 1  -34   10   12 o  675.311  108.077   2.2577   0.6489   2.2489   0.8933   2.2676   0.9443  653.874  151.445  653.112  158.693 0.7628174 219.3605 
1 1 1  -34   10   13 o  685.480  116.798   2.3531   0.7103   3.0485   0.9467   1.4574   1.0744  770.682  138.589  528.468  182.178 242.2139 228.9009 
1 1 1  -34   10   14 o  259.839  118.356  -0.3043   0.6234  -0.3345   0.7752  -0.2489   1.0490  290.760  132.261  347.422  156.345 -56.66162 204.7849 
1 1 1  -34   10   15 o  317.378  122.622   0.3656   0.5083   0.0070   0.8189   0.5903   0.6484  328.836  143.491  373.447  139.836 -44.61133 200.3586 
1 1 1  -34   10   16 o  291.784  119.781   0.1962   0.5151   0.4339   0.8394   0.0526   0.6524  376.581  153.552  301.538  129.833 75.04355 201.0845 
1 1 1  -34   10   17 o  1200.74   75.576   6.8629   0.8308   6.7847   1.2486   6.9249   1.1128  1166.61  117.937  1189.69  102.658 -23.07947 156.3579 
1 1 1  -34   12    1 o  842.609   75.975   3.4534   0.5827   3.6441   0.8130   3.2520   0.8357  844.281  107.053  788.166  118.927 56.11530 160.0125 
1 1 1  -34   12    2 o  732.193   82.348   2.6254   0.5452   2.4047   0.7482   2.8752   0.7961  675.124  125.038  742.660  120.633 -67.53656 173.7442 
1 1 1  -34   12    3 o  754.837   85.008   2.7875   0.5802   2.3660   0.8179   3.2143   0.8230  663.574  138.437  791.893  116.425 -128.3190 180.8858 
1 1 1  -34   12    4 o  395.121  137.109   0.7771   0.6091   1.1877   0.7070  -0.4041   1.1992  470.030  147.113  351.037  161.483 118.9924 218.4469 
1 1 1  -34   12    5 f  218.553  104.621  -0.7254   0.5985  -0.6836   0.6793  -0.8705   1.2652  240.712  114.159  336.003  158.275 -95.29132 195.1499 
1 1 1  -34   12    6 o  234.278  110.495  -0.5842   0.6202  -0.7680   0.7206  -0.0591   1.2177  245.066  116.617  380.509  170.049 -135.4429 206.1945 
1 1 1  -34   12    7 o  278.052  115.695   0.1450   0.4895   0.0941   0.6876   0.1972   0.6969  311.875  133.769  325.313  136.887 -13.43887 191.3955 
1 1 1  -34   12    8 o  319.072  127.145   0.3257   0.5611   0.0056   0.7100   0.8584   0.9159  307.189  133.839  435.767  165.524 -128.5780 212.8640 
1 1 1  -34   12    9 o  341.505  141.343   0.2845   0.7250   0.6150   1.2572   0.1198   0.8874  442.965  184.958  350.173  151.098 92.79160 238.8304 
1 1 1  -34   12   10 o  1006.38   80.025   4.8458   0.7349   4.7332   1.0583   4.9506   1.0214  971.375  121.027  998.749  113.138 -27.37457 165.6734 
1 1 1  -34   12   11 o  540.647  130.879   1.5191   0.6441   1.4353   0.8256   1.6494   1.0296  518.570  158.430  549.810  178.168 -31.23950 238.4198 
1 1 1  -34   12   12 o  513.037  132.249   1.3720   0.6283   1.6600   0.7850   0.8589   1.0480  557.768  149.786  447.977  175.226 109.7906 230.5213 
1 1 1  -34   12   13 o  392.710  121.504   0.7754   0.4839   0.0498   0.7524   1.2873   0.6319  319.879  138.574  495.938  134.898 -176.0589 193.3913 
1 1 1  -34   12   14 o  587.622  100.062   1.7170   0.5217   2.2849   0.9351   1.4605   0.6285  648.985  158.061  528.981  130.046 120.0040 204.6831 
1 1 1  -34   12   15 o  327.132  124.219   0.4259   0.5157   0.6587   0.9205   0.3194   0.6226  410.178  163.037  327.859  132.779 82.31879 210.2654 
1 1 1  -34   12   16 o  500.437  157.262   1.3444   0.8070   2.1449   1.5856   1.0645   0.9376  602.629  219.910  462.133  169.032 140.4960 277.3669 
1 1 1  -34   14    1 o  277.313  113.121   0.2396   0.4558   0.7412   0.6682  -0.1968   0.6233  379.931  142.017  259.357  118.215 120.5741 184.7799 
1 1 1  -34   14    2 o  307.424  119.827   0.3804   0.4887  -0.6275   0.6731   1.5048   0.7109  238.125  113.135  514.276  144.329 -276.1516 183.3866 
1 1 1  -34   14    3 o  1085.03   65.273   5.6314   0.6487   7.4984   0.9778   4.1639   0.8669  1235.26   86.571  904.426  106.185 330.8348 137.0031 
1 1 1  -34   14    4 o  378.368  128.973   0.7280   0.5381   0.1363   0.6975   1.5979   0.8458  311.999  134.293  528.464  160.107 -216.4656 208.9710 
1 1 1  -34   14    5 o  969.974   76.950   4.5431   0.6812   4.9757   0.9075   3.9850   1.0309  999.625  100.004  869.158  133.139 130.4665 166.5133 
1 1 1  -34   14    6 o  438.969  147.391   1.0159   0.7027   1.3365   0.7745  -0.4753   1.6704  493.107  153.916  401.829  186.849 91.27832 242.0795 
1 1 1  -34   14    7 o  504.903  150.887   1.3926   0.7550   1.3926   0.7550   0.0000   0.0000  504.903  150.887  ?   ?  0.000000 150.8868 
1 1 1  -34   14    8 o  522.101  129.284   1.4392   0.6178   1.8878   0.8461   0.9267   0.9043  585.619  154.702  437.998  164.920 147.6204 226.1223 
1 1 1  -34   14    9 o  771.777   98.848   2.9483   0.6859   2.5137   0.8792   3.6238   1.0961  685.837  143.910  822.099  150.445 -136.2622 208.1920 
1 1 1  -34   14   10 o  375.371  151.132   0.5013   0.8015   0.8273   1.4527   0.3587   0.9610  470.451  197.782  379.981  160.367 90.47034 254.6279 
1 1 1  -34   14   11 o  397.732  116.686   0.8101   0.4549   1.2328   0.8098   0.6152   0.5498  480.011  158.136  363.181  129.905 116.8299 204.6514 
1 1 1  -34   14   12 o  288.719  115.526   0.2554   0.4652   0.5777   0.8222   0.1037   0.5641  386.892  153.992  287.091  122.096 99.80157 196.5223 
1 1 1  -34   14   13 o  183.432   88.222  -0.5956   0.4369  -0.1409   0.8505  -0.7587   0.5093  316.616  141.759  192.839   93.359 123.7774 169.7396 
1 1 1  -34   14   14 o  1151.80   66.546   6.2988   0.7023   6.4872   1.1968   6.1998   0.8673  1134.09  116.329  1132.51   83.823 1.585205 143.3829 
1 1 1  -34   14   15 o  368.824  156.357   0.3123   0.9201   0.0000   0.0000   0.3123   0.9201  ?   ?   368.824  156.357 0.000000 156.3566 
1 1 1  -34   16    1 o  900.638   68.831   3.9707   0.5661   3.7983   0.7886   4.1540   0.8132  850.595  102.842  891.859  100.861 -41.26410 144.0467 
1 1 1  -34   16    2 o  820.269   80.103   3.3433   0.5969   3.1094   0.7839   3.6660   0.9207  762.166  115.387  817.458  126.493 -55.29181 171.2153 
1 1 1  -34   16    3 o  300.253  121.930   0.3141   0.5266   0.1326   0.7056   0.5422   0.7910  306.070  133.388  362.412  148.563 -56.34189 199.6579 
1 1 1  -34   16    4 o  190.516   92.150  -0.6855   0.4934  -0.0144   0.6325  -1.7279   0.7883  280.119  124.021  207.550  103.409 72.56845 161.4769 
1 1 1  -34   16    5 o  563.207  112.797   1.6674   0.5642   1.3817   0.7350   2.0771   0.8803  491.999  149.297  597.005  157.835 -105.0065 217.2592 
1 1 1  -34   16    6 o  518.043  114.268   1.4136   0.5301   1.3677   0.7537   1.4585   0.7456  491.093  151.598  507.304  149.549 -16.21112 212.9477 
1 1 1  -34   16    7 o  783.809  108.527   3.1376   0.7617   3.1172   0.8529   3.2179   1.6930  769.581  124.715  676.523  228.777 93.05817 260.5620 
1 1 1  -34   16    8 o  676.400   92.392   2.2789   0.5600   3.2047   0.8677   1.6180   0.7331  781.630  124.847  539.911  144.651 241.7191 191.0773 
1 1 1  -34   16    9 o  357.893  115.046   0.6502   0.4299  -0.0165   0.7590   0.9653   0.5217  307.628  136.045  426.488  124.922 -118.8604 184.6993 
1 1 1  -34   16   10 o  356.086  144.109   0.4586   0.7328   0.8059   1.5080   0.3512   0.8385  460.072  197.735  357.215  150.225 102.8572 248.3273 
1 1 1  -34   16   11 o  821.867   74.322   3.2607   0.5560   3.8896   0.9894   2.9705   0.6721  860.908  128.854  771.847   96.765 89.06055 161.1425 
1 1 1  -34   16   12 o  648.695   95.119   2.1019   0.5509   2.6577   0.9289   1.8004   0.6842  694.234  149.804  579.722  131.313 114.5128 199.2093 
1 1 1  -34   16   13 o  330.948  121.277   0.4948   0.4830   0.1290   0.8487   0.6700   0.5874  336.784  146.536  372.319  134.149 -35.53549 198.6676 
1 1 1  -34   18    1 o  907.338   66.022   4.0556   0.5474   4.5940   0.7976   3.5761   0.7527  935.604   93.918  815.428  102.587 120.1758 139.0851 
1 1 1  -34   18    2 o  542.446   99.847   1.5711   0.4800   2.0455   0.6818   1.1048   0.6759  595.389  128.243  424.334  144.543 171.0544 193.2332 
1 1 1  -34   18    3 o  908.409   68.760   4.0452   0.5705   4.4152   0.7711   3.5979   0.8479  928.002   91.496  812.102  116.834 115.9003 148.3968 
1 1 1  -34   18    4 o  587.364   99.510   1.8057   0.5186   1.8533   0.6840   1.7414   0.7954  569.056  133.021  532.551  153.742 36.50543 203.3001 
1 1 1  -34   18    5 o  422.835  123.565   0.9952   0.5110   0.5049   0.6754   1.6517   0.7815  343.318  138.554  523.112  152.790 -179.7935 206.2569 
1 1 1  -34   18    6 o  185.516   86.571  -0.2786   0.3637   0.4661   0.6637  -0.5982   0.4348  338.840  137.141  179.495   86.744 159.3454 162.2718 
1 1 1  -34   18    7 o  406.091  106.412   0.8754   0.4024  -0.3261   0.7079   1.4490   0.4891  265.604  122.854  525.854  104.768 -260.2501 161.4606 
1 1 1  -34   18    8 o  414.247  121.370   0.9305   0.4924   0.7084   0.7732   1.0821   0.6387  384.162  150.446  439.186  140.118 -55.02377 205.5894 
1 1 1  -34   18    9 o  289.371  113.780   0.3165   0.4438   0.6209   0.7930   0.1776   0.5356  375.833  150.674  284.564  119.886 91.26828 192.5501 
1 1 1  -34   18   10 o  594.868   94.102   1.7921   0.4980   2.5271   0.9382   1.5038   0.5876  660.342  156.746  527.358  123.289 132.9846 199.4223 
1 1 1  -34   18   11 o  439.508  165.511   1.0459   0.9109  -0.0850   1.5896   1.5988   1.1114  399.711  184.607  511.491  184.501 -111.7794 260.9983 
1 1 1  -34   18   12 o  362.513  171.904  -0.7778   1.5394  -0.7778   1.5394   0.0000   0.0000  362.513  171.904  ?   ?  0.000000 171.9039 
1 1 1  -34   20    1 o  358.840  173.341   0.1357   1.7314   0.0000   0.0000   0.1357   1.7314  ?   ?   358.840  173.341 0.000000 173.3410 
1 1 1  -34   20    2 o  705.803  106.313   2.7483   0.6690   2.9958   0.7159   1.0423   1.8797  733.819  109.365  407.689  192.310 326.1300 221.2329 
1 1 1  -34   20    3 f  670.143   75.807   2.2699   0.4592   0.0000   0.0000   2.2699   0.4592  ?   ?   670.143   75.807 0.000000 75.80724 
1 1 1  -34   20    4 o  245.758  114.955  -0.3256   0.6475  -2.2322   1.4713   0.1323   0.7211  280.899  140.163  297.042  131.922 -16.14313 192.4811 
1 1 1  -34   20    5 o  306.415  106.326   0.4844   0.3663   0.9790   0.6445   0.2484   0.4451  405.561  141.027  271.103  111.328 134.4580 179.6735 
1 1 1  -34   20    6 o  406.804  103.115   0.8948   0.3865   0.0413   0.7060   1.2601   0.4619  290.538  129.685  482.124  106.910 -191.5865 168.0717 
1 1 1  -34   20    7 o  422.984  150.125   1.0605   0.7330   2.2350   1.7486   0.8102   0.8073  522.821  218.203  388.725  153.261 134.0965 266.6485 
1 1 1  -34   20    8 o  643.138  234.917   3.5878   1.8100   3.5878   1.8100   0.0000   0.0000  643.138  234.917  ?   ?  0.000000 234.9173 
1 1 1  -34   20    9 o  755.233  257.171   5.1709   2.1395   5.1709   2.1395   0.0000   0.0000  755.233  257.171  ?   ?  0.000000 257.1712 
1 1 1  -33    1    1 o  1026.87   67.355   4.9950   0.6329   4.7537   0.8835   5.2493   0.9071  985.634   98.747  1037.74   96.080 -52.10663 137.7764 
1 1 1  -33    1    2 o  1036.78   80.097   5.1398   0.7582   4.8614   0.9025   5.8077   1.3979  997.984   99.610  1057.79  147.639 -59.80194 178.0994 
1 1 1  -33    1    3 o  793.498   93.630   3.0582   0.6705   2.8008   0.8181   3.5849   1.1701  744.797  123.710  821.973  160.468 -77.17560 202.6181 
1 1 1  -33    1    4 o  1501.57   57.723   10.535   0.7976   10.639   1.1147   10.425   1.1416  1495.83   81.294  1478.84   84.239 16.98914 117.0676 
1 1 1  -33    1    5 o  420.545  122.483   0.8886   0.5028   1.3873   0.7097   0.3860   0.7125  517.409  143.859  355.834  142.767 161.5749 202.6762 
1 1 1  -33    1    6 o  1353.80   58.621   8.5522   0.7303   7.7959   0.9975   9.4259   1.0720  1280.06   85.169  1409.13   83.046 -129.0686 118.9555 
1 1 1  -33    1    7 o  961.297   70.580   4.3562   0.6200   3.9290   0.8512   4.8389   0.9048  899.731  104.773  1002.01   99.444 -102.2784 144.4519 
1 1 1  -33    1    8 o  404.042  121.622   0.8044   0.4892   0.3607   0.7008   1.2261   0.6832  353.053  141.609  491.415  142.676 -138.3617 201.0209 
1 1 1  -33    1    9 o  201.196   94.364  -0.4273   0.4413  -0.3890   0.6074  -0.4700   0.6423  250.857  115.224  252.689  116.929 -1.831467 164.1614 
1 1 1  -33    1   10 o  892.739   72.660   3.7559   0.5917   3.6929   0.8397   3.8180   0.8339  873.451  106.692  889.441  103.850 -15.99017 148.8889 
1 1 1  -33    1   11 o  498.579  115.157   1.2379   0.5177   1.5858   0.7376   0.9003   0.7267  558.151  142.982  438.155  149.872 119.9965 207.1366 
1 1 1  -33    1   12 o  361.823  123.609   0.5933   0.4943   0.6493   0.7314   0.5462   0.6706  399.752  148.744  376.339  141.954 23.41385 205.6108 
1 1 1  -33    1   13 o  511.343  121.566   1.3076   0.5636   0.2249   0.7629   2.6084   0.8362  348.634  144.700  723.917  130.332 -375.2835 194.7425 
1 1 1  -33    1   14 o  1046.70   75.527   5.1602   0.7225   4.5290   1.0040   5.8382   1.0406  965.338  115.316  1102.74  103.771 -137.4052 155.1331 
1 1 1  -33    1   15 o  721.104   98.678   2.5125   0.6376   2.6114   0.9174   2.4202   0.8867  717.716  143.920  690.186  144.270 27.52997 203.7818 
1 1 1  -33    1   16 o  546.894  165.639   1.5420   0.9053   1.7328   1.3023   1.3636   1.2595  581.470  200.560  535.791  195.921 45.67896 280.3733 
1 1 1  -33    1   17 o  1518.02   78.254   10.878   1.0894   10.849   1.3407   10.934   1.8689  1505.68   97.286  1482.90  138.568 22.78308 169.3093 
1 1 1  -33    1   18 o  650.071  117.845   2.1089   0.6790   2.9705   0.9788   1.3097   0.9426  761.057  145.061  508.356  170.713 252.7006 224.0215 
1 1 1  -33    1   19 f  721.880  135.246   2.6559   0.8654   2.1509   1.0593   3.6693   1.5005  630.645  175.895  808.831  202.167 -178.1854 267.9752 
1 1 1  -33    1   20 o  356.147  167.540  -1.0561   1.4090   0.0000   0.0000  -1.0561   1.4090  ?   ?   356.147  167.540 0.000000 167.5400 
1 1 1  -33    3    1 o  707.656   85.439   2.4297   0.5451   2.4244   0.7638   2.4353   0.7781  687.573  125.350  687.929  127.617 -0.3555908 178.8819 
1 1 1  -33    3    2 o  291.552  116.733   0.2479   0.4753   0.4599   0.6739   0.0382   0.6704  356.762  140.228  303.521  131.148 53.24100 191.9995 
1 1 1  -33    3    3 o  1627.13   56.172   12.373   0.8410   12.241   1.1659   12.516   1.2143  1606.36   78.880  1620.74   81.686 -14.38086 113.5549 
1 1 1  -33    3    4 o  1066.47   67.372   5.3640   0.6577   4.3771   0.8919   6.5406   0.9739  946.802  104.091  1166.47   91.465 -219.6715 138.5669 
1 1 1  -33    3    5 o  534.096  107.550   1.4224   0.5103   0.1395   0.6862   3.0099   0.7633  320.609  135.419  782.263  109.000 -461.6538 173.8371 
1 1 1  -33    3    6 o  539.905  106.784   1.4478   0.5117   1.4007   0.7033   1.5009   0.7460  521.076  142.548  538.088  146.652 -17.01208 204.5154 
1 1 1  -33    3    7 o  949.306   80.695   4.2807   0.6982   3.9984   0.8330   4.9470   1.2800  909.101  101.307  988.973  144.960 -79.87213 176.8515 
1 1 1  -33    3    8 o  362.927  130.476   0.5682   0.5553   0.7693   0.6728   0.1383   0.9838  410.064  144.001  374.663  160.332 35.40063 215.5058 
1 1 1  -33    3    9 o  968.672   69.732   4.4137   0.6174   4.7734   0.8556   4.0229   0.8918  998.818   94.203  910.451  108.593 88.36694 143.7587 
1 1 1  -33    3   10 o  976.821   71.489   4.4900   0.6381   4.7721   0.9107   4.2178   0.8944  996.624  100.687  934.287  105.904 62.33710 146.1285 
1 1 1  -33    3   11 o  590.609  101.736   1.7026   0.5329   1.6338   0.7240   1.7839   0.7874  566.995  139.675  590.938  145.724 -23.94330 201.8532 
1 1 1  -33    3   12 o  884.828   82.229   3.7119   0.6618   4.0373   0.9430   3.3960   0.9291  910.802  115.084  829.945  125.592 80.85754 170.3461 
1 1 1  -33    3   13 o  546.243  113.053   1.4782   0.5495   0.9048   0.7494   2.1450   0.8082  440.675  152.135  651.468  139.049 -210.7932 206.1063 
1 1 1  -33    3   14 o  544.016  130.279   1.4926   0.6435   2.0496   1.1427   1.2338   0.7788  623.708  185.459  496.029  154.258 127.6782 241.2275 
1 1 1  -33    3   15 o  286.376  125.586  -0.0909   0.6342   1.3030   1.2075  -0.6219   0.7453  526.442  191.936  265.514  123.910 260.9278 228.4585 
1 1 1  -33    3   16 o  1125.74   75.836   5.9793   0.7810   5.6508   1.0662   6.3596   1.1472  1080.21  108.748  1145.78  110.167 -65.56384 154.7998 
1 1 1  -33    3   17 o  1862.63   73.411   16.300   1.2582   16.620   1.5342   15.643   2.1988  1871.67   89.083  1776.82  135.505 94.84863 162.1648 
1 1 1  -33    3   18 o  1314.07   89.424   8.2489   1.0749   9.6137   1.3211   5.5762   1.8487  1411.12  102.441  1001.34  207.462 409.7777 231.3752 
1 1 1  -33    3   19 o  1435.85   72.796   9.7349   0.9587   9.6617   1.3370   9.8123   1.3752  1412.12  103.621  1421.55  105.895 -9.437378 148.1594 
1 1 1  -33    3   20 o  308.860  148.090  -1.3868   1.2100   0.0000   0.0000  -1.3868   1.2100  ?   ?   308.860  148.090 0.000000 148.0903 
1 1 1  -33    5    1 o  521.839  125.673   1.4165   0.5963   1.6034   1.0745   1.3334   0.7167  538.907  182.255  500.157  146.395 38.74924 233.7702 
1 1 1  -33    5    2 o  1297.49   72.291   7.9883   0.8597   8.7342   1.5512   7.6576   1.0328  1314.03  129.995  1260.06   89.657 53.97473 157.9144 
1 1 1  -33    5    3 o  1389.47   68.910   9.0973   0.8810   7.7026   1.4912   9.8452   1.0920  1233.93  133.461  1435.71   83.016 -201.7798 157.1735 
1 1 1  -33    5    4 o  650.224  109.107   2.1014   0.6297   3.6674   1.1649   1.4549   0.7485  835.155  157.352  526.567  148.206 308.5873 216.1586 
1 1 1  -33    5    5 o  787.471   96.376   3.0102   0.6838   1.5232   1.1364   3.8541   0.8561  541.143  187.308  887.292  107.016 -346.1486 215.7238 
1 1 1  -33    5    6 o  922.810   70.901   4.0236   0.5974   4.3091   0.8366   3.7265   0.8535  944.384   97.686  872.678  108.636 71.70673 146.0971 
1 1 1  -33    5    7 o  1313.14   59.697   8.0474   0.7213   8.5010   1.0417   7.6296   0.9997  1337.44   85.091  1266.18   86.322 71.25854 121.2105 
1 1 1  -33    5    8 o  1265.80   62.216   7.4813   0.7247   7.4427   1.0289   7.5193   1.0208  1249.61   90.082  1256.64   88.855 -7.030151 126.5302 
1 1 1  -33    5    9 o  391.344  121.707   0.7458   0.4848   0.1255   0.6570   1.4870   0.7182  315.385  132.826  538.904  142.615 -223.5193 194.8891 
1 1 1  -33    5   10 o  597.015   98.120   1.7355   0.5203   1.3613   0.7014   2.1934   0.7758  516.889  142.758  660.126  132.330 -143.2374 194.6561 
1 1 1  -33    5   11 o  1112.53   69.945   5.8129   0.7124   5.8292   0.9967   5.7958   1.0186  1102.88   99.276  1098.52  101.931 4.357544 142.2874 
1 1 1  -33    5   12 o  973.166   88.500   4.5080   0.7838   4.7793   0.9527   3.9394   1.3791  995.378  105.626  866.690  178.861 128.6877 207.7213 
1 1 1  -33    5   13 o  737.982  128.507   2.7115   0.8409   2.2655   1.0909   3.3647   1.3202  655.380  176.813  796.632  183.837 -141.2520 255.0660 
1 1 1  -33    5   14 o  641.036  123.911   2.0508   0.7045   1.6014   1.0693   2.3954   0.9364  558.507  181.608  682.231  152.942 -123.7241 237.4294 
1 1 1  -33    5   15 o  429.046  131.956   0.9100   0.5717   0.9578   0.7656   0.8499   0.8594  448.445  153.833  440.224  161.708 8.220673 223.1912 
1 1 1  -33    5   16 o  775.349   98.262   2.9093   0.6853   3.0733   0.9492   2.7307   0.9905  780.141  137.237  726.968  152.917 53.17310 205.4686 
1 1 1  -33    5   17 o  1305.03   85.105   8.1021   1.0164   7.3226   1.2194   9.8760   1.8395  1227.49  109.100  1399.84  144.907 -172.3560 181.3859 
1 1 1  -33    5   18 o  744.799  123.172   2.7809   0.8146   2.6747   0.9716   3.0323   1.4948  715.570  152.240  728.675  210.879 -13.10461 260.0906 
1 1 1  -33    5   19 o  245.440  109.487  -0.1498   0.5023   0.0934   0.8437  -0.2834   0.6253  343.209  147.713  262.608  119.197 80.60049 189.8074 
1 1 1  -33    7    1 o  231.618  104.016  -0.1574   0.4616  -0.0619   0.6827  -0.2379   0.6265  293.378  129.419  264.274  119.697 29.10403 176.2859 
1 1 1  -33    7    2 o  1631.59   55.410   12.461   0.8319   14.018   1.2114   11.072   1.1444  1717.13   76.670  1520.52   82.095 196.6151 112.3290 
1 1 1  -33    7    3 o  725.602   85.424   2.5459   0.5594   2.8000   0.7752   2.2697   0.8081  746.759  116.630  660.422  137.454 86.33673 180.2664 
1 1 1  -33    7    4 o  836.844   75.618   3.3378   0.5760   2.7806   0.7970   3.9470   0.8334  743.596  120.607  898.146  102.690 -154.5500 158.4029 
1 1 1  -33    7    5 o  675.906   90.185   2.2151   0.5469   2.0128   0.7836   2.4073   0.7637  622.999  140.092  690.132  124.852 -67.13318 187.6529 
1 1 1  -33    7    6 f  1002.36   81.645   4.7870   0.7465   5.1654   1.4281   4.6448   0.8756  995.396  161.454  979.733   98.463 15.66339 189.1092 
1 1 1  -33    7    7 o  1705.35   65.536   13.621   1.0284   12.705   1.8480   14.032   1.2378  1605.10  126.138  1724.54   78.001 -119.4362 148.3071 
1 1 1  -33    7    8 o  343.837  125.654   0.4932   0.5179  -0.3108   0.7138   1.3871   0.7527  281.910  127.719  518.695  149.510 -236.7854 196.6357 
1 1 1  -33    7    9 o  720.108   86.522   2.4864   0.5618   2.1127   0.7887   2.8714   0.8005  644.145  137.267  762.347  117.923 -118.2019 180.9639 
1 1 1  -33    7   10 o  856.028   79.150   3.4776   0.6164   3.0970   0.8600   3.8795   0.8839  791.020  122.089  892.516  109.951 -101.4959 164.3009 
1 1 1  -33    7   11 o  615.674  108.238   1.8653   0.5908   1.5543   0.9212   2.0827   0.7701  548.312  167.305  641.368  134.766 -93.05615 214.8323 
1 1 1  -33    7   12 o  1224.55   76.813   7.0735   0.8611   7.0390   1.4628   7.0918   1.0653  1191.26  135.877  1217.88   95.835 -26.61487 166.2738 
1 1 1  -33    7   13 o  513.704  125.001   1.3319   0.5853   1.2218   0.8690   1.4233   0.7918  495.309  163.844  526.479  153.801 -31.16980 224.7213 
1 1 1  -33    7   14 o  692.702   98.077   2.3281   0.6077   0.9778   0.7967   4.2058   0.9396  453.112  156.841  928.355  112.271 -475.2431 192.8827 
1 1 1  -33    7   15 o  266.277  117.680  -0.1208   0.5670  -0.0500   0.7760  -0.2018   0.8305  319.199  139.474  315.849  140.843 3.349609 198.2165 
1 1 1  -33    7   16 o  1025.71   96.772   5.0692   0.9026   6.0812   1.1477   3.4290   1.4611  1115.19  113.425  784.914  201.327 330.2704 231.0801 
1 1 1  -33    7   17 o  412.884  158.655   0.6886   0.8475   0.6886   0.8475   0.0000   0.0000  412.884  158.655  ?   ?  0.000000 158.6554 
1 1 1  -33    7   18 o  489.473  168.054   1.2160   0.9138   1.2160   0.9138   0.0000   0.0000  489.473  168.054  ?   ?  0.000000 168.0537 
1 1 1  -33    7   19 o  1260.17   78.563   7.5544   0.9065   8.2120   1.3487   7.0127   1.2242  1290.71  114.752  1193.46  112.813 97.25500 160.9181 
1 1 1  -33    9    1 o  470.187  132.828   1.1711   0.6000   1.2449   0.6737   0.8881   1.3194  481.937  142.187  463.595  191.169 18.34106 238.2488 
1 1 1  -33    9    2 o  1769.94   65.231   14.783   1.0624   16.040   1.2560   11.625   1.9915  1836.77   74.314  1490.68  147.109 346.0886 164.8136 
1 1 1  -33    9    3 o  405.717  134.818   0.8202   0.5881   1.1680   0.6910  -0.0943   1.1203  471.931  145.059  366.519  163.501 105.4114 218.5735 
1 1 1  -33    9    4 o  1075.51   67.545   5.4693   0.6651   6.1307   0.9317   4.7823   0.9496  1127.12   90.603  985.953  106.353 141.1626 139.7133 
1 1 1  -33    9    5 o  201.262   94.985  -0.4739   0.4596   0.5934   0.6872  -1.3381   0.6183  379.180  143.530  191.158   94.610 188.0223 171.9071 
1 1 1  -33    9    6 f  551.720  106.371   1.5172   0.5204   1.6591   0.7959   1.4113   0.6879  561.143  150.880  520.996  140.339 40.14746 206.0582 
1 1 1  -33    9    7 o  874.275   76.646   3.6341   0.6104   3.4975   0.8912   3.7548   0.8377  839.223  118.716  876.276  106.051 -37.05292 159.1864 
1 1 1  -33    9    8 o  739.351  103.068   2.6720   0.6821   2.3341   1.2932   2.8022   0.8029  649.799  198.227  749.844  120.443 -100.0444 231.9496 
1 1 1  -33    9    9 o  851.589   87.985   3.4760   0.6795   5.1940   1.1620   2.5831   0.8377  1023.27  126.073  714.682  132.251 308.5861 182.7150 
1 1 1  -33    9   10 o  537.776  119.080   1.4555   0.5737   3.1042   1.0045   0.6574   0.6989  778.939  145.495  393.765  145.626 385.1737 205.8540 
1 1 1  -33    9   11 o  374.989  133.983   0.6211   0.5847   0.9597   0.9361   0.4045   0.7488  460.061  168.803  365.334  146.436 94.72693 223.4683 
1 1 1  -33    9   12 o  1750.92   60.961   14.315   0.9822   14.343   1.3796   14.287   1.3986  1739.92   86.169  1733.43   87.974 6.492432 123.1445 
1 1 1  -33    9   13 o  571.222  134.313   1.6688   0.6941   1.7108   0.8688   1.5946   1.1541  571.202  159.295  554.805  188.878 16.39679 247.0823 
1 1 1  -33    9   14 o  1557.02   73.899   11.410   1.0588   12.036   1.3336   10.342   1.7413  1587.24   91.700  1442.06  132.718 145.1732 161.3165 
1 1 1  -33    9   15 o  707.727   90.106   2.4205   0.5735   2.0089   0.8942   2.7081   0.7475  616.773  157.115  739.472  113.476 -122.6985 193.8089 
1 1 1  -33    9   16 o  640.701   96.847   2.0089   0.5531   2.2209   0.9121   1.8855   0.6957  648.002  155.038  607.518  128.466 40.48346 201.3459 
1 1 1  -33    9   17 o  285.428  117.443   0.1744   0.4966   1.1695   0.8815  -0.2883   0.6011  480.205  165.042  255.885  116.423 224.3206 201.9726 
1 1 1  -33    9   18 o  711.856   99.690   2.4897   0.6351   4.3218   1.1604   1.7061   0.7588  915.229  142.414  568.673  144.670 346.5563 203.0054 
1 1 1  -33   11    1 o  962.049   72.460   4.4411   0.6367   4.3724   0.9935   4.4890   0.8295  923.059  119.798  952.875   95.905 -29.81665 153.4578 
1 1 1  -33   11    2 f  575.999  105.599   1.6794   0.5391   2.7567   0.8903   1.0558   0.6773  720.685  139.293  447.267  144.465 273.4177 200.6803 
1 1 1  -33   11    3 o  481.961  121.632   1.2075   0.5394   1.5688   0.8523   0.9660   0.6968  534.801  160.427  434.393  146.766 100.4085 217.4332 
1 1 1  -33   11    4 o  361.895  143.226   0.4738   0.7075   0.4700   0.8562   0.4821   1.2566  381.039  155.192  428.853  182.302 -47.81418 239.4133 
1 1 1  -33   11    5 o  369.388  142.462   0.5398   0.6852   1.2201   0.8580  -0.6581   1.1385  484.168  162.864  332.482  154.487 151.6866 224.4793 
1 1 1  -33   11    6 o  328.901  126.871   0.4005   0.5435   1.0858   0.8754  -0.0294   0.6933  466.556  164.226  301.474  131.779 165.0824 210.5607 
1 1 1  -33   11    7 f  1134.02   71.884   6.0884   0.7462   6.0050   1.2040   6.1403   0.9509  1098.57  121.115  1128.67   92.369 -30.10181 152.3182 
1 1 1  -33   11    8 o  1491.64   76.151   10.541   1.0417   11.028   1.4577   10.033   1.4893  1505.87  105.874  1429.79  114.148 76.07703 155.6887 
1 1 1  -33   11    9 o  487.669  148.105   1.2276   0.7231   1.8101   1.3924   1.0125   0.8461  581.597  206.867  457.364  161.409 124.2330 262.3862 
1 1 1  -33   11   10 o  790.117   84.366   2.9942   0.6039   3.6900   0.8524   2.2931   0.8557  866.853  109.291  665.010  144.007 201.8433 180.7828 
1 1 1  -33   11   11 o  695.614   96.271   2.3565   0.5997   1.9251   0.8194   2.8542   0.8801  606.657  148.080  750.012  132.358 -143.3557 198.6112 
1 1 1  -33   11   12 o  1263.24   69.877   7.5254   0.8091   8.1032   1.1565   6.9715   1.1323  1296.21   97.680  1198.30  103.714 97.90796 142.4710 
1 1 1  -33   11   13 o  402.602  123.128   0.8083   0.4985   1.0188   0.7821   0.6642   0.6470  454.262  155.484  386.881  140.586 67.38065 209.6177 
1 1 1  -33   11   14 o  984.335   73.326   4.5957   0.6594   5.2632   1.0105   4.1007   0.8702  1036.65  107.501  915.091  105.257 121.5556 150.4510 
1 1 1  -33   11   15 o  419.422  125.203   0.8912   0.5200  -0.6055   0.8498   1.7873   0.6575  285.366  132.885  591.219  124.786 -305.8537 182.2910 
1 1 1  -33   11   16 o  542.533  119.299   1.5038   0.5794  -0.2947   1.0517   2.2872   0.6942  342.909  155.222  673.896  116.138 -330.9872 193.8608 
1 1 1  -33   11   17 o  555.082  114.777   1.5659   0.5669   2.0181   0.9056   1.2746   0.7269  609.896  159.540  491.433  148.330 118.4629 217.8409 
1 1 1  -33   13    1 o  385.395  117.006   0.7770   0.4514   0.5067   0.6393   1.0457   0.6373  349.160  136.782  438.500  139.976 -89.34009 195.7104 
1 1 1  -33   13    2 o  424.606  115.936   0.9448   0.4657   1.3127   0.6753   0.6111   0.6431  489.804  141.738  367.581  138.923 122.2234 198.4669 
1 1 1  -33   13    3 f  827.521   81.046   3.3214   0.6092   3.0781   0.7884   3.6818   0.9597  777.880  113.493  841.581  127.958 -63.70142 171.0376 
1 1 1  -33   13    4 o  653.621  100.149   2.1313   0.5831   1.7916   0.7810   2.5594   0.8767  574.436  147.107  692.494  142.337 -118.0581 204.6959 
1 1 1  -33   13    5 o  358.508  124.711   0.6102   0.5040   0.4115   0.6563   0.8957   0.7870  344.840  137.480  428.146  155.124 -83.30655 207.2785 
1 1 1  -33   13    6 o  1506.07   70.466   10.737   0.9765   11.225   1.1413   9.4030   1.8869  1530.94   81.306  1332.27  156.930 198.6639 176.7420 
1 1 1  -33   13    7 o  898.193   91.909   3.9201   0.7489   3.6168   0.8526   4.9450   1.5672  852.039  111.412  939.100  187.919 -87.06116 218.4633 
1 1 1  -33   13    8 o  405.760  122.691   0.8336   0.4970   1.1626   0.7018   0.5024   0.7040  472.069  146.368  366.579  143.558 105.4900 205.0182 
1 1 1  -33   13    9 o  727.515   89.880   2.5716   0.5889   3.3691   0.8630   1.8766   0.8056  819.823  117.782  594.541  147.872 225.2822 189.0470 
1 1 1  -33   13   10 o  859.600  104.258   3.6343   0.8078   4.7758   1.6837   3.2930   0.9207  911.270  205.670  804.585  128.692 106.6846 242.6146 
1 1 1  -33   13   11 o  223.638  100.051  -0.1421   0.4228   0.1755   0.7288  -0.3032   0.5190  330.098  139.504  233.180  106.884 96.91783 175.7430 
1 1 1  -33   13   12 o  520.131  104.622   1.3565   0.4834   0.4339   0.7022   2.1873   0.6664  357.436  142.299  659.756  113.881 -302.3208 182.2578 
1 1 1  -33   13   13 o  269.794  109.765   0.1773   0.4277   0.1103   0.7504   0.2095   0.5205  326.165  139.818  294.649  120.621 31.51566 184.6572 
1 1 1  -33   13   14 o  773.777   76.735   2.8703   0.5392   2.6989   0.9055   2.9645   0.6711  717.027  142.261  778.049   95.756 -61.02173 171.4861 
1 1 1  -33   13   15 o  917.167   75.725   4.0234   0.6334   4.1625   1.0854   3.9516   0.7799  897.566  135.651  898.848   95.772 -1.281860 166.0525 
1 1 1  -33   13   16 o  872.810   80.187   3.6664   0.6368   4.6964   1.1380   3.1967   0.7684  954.781  133.152  801.058  106.911 153.7227 170.7616 
1 1 1  -33   13   17 o  768.812  223.467   3.6941   1.6753   3.6941   1.6753   0.0000   0.0000  768.812  223.467  ?   ?  0.000000 223.4671 
1 1 1  -33   15    1 o  322.648  117.442   0.4958   0.4518   0.3331   0.6292   0.6691   0.6492  319.302  131.876  369.136  139.562 -49.83429 192.0125 
1 1 1  -33   15    2 o  555.319   97.485   1.5726   0.4800   1.4703   0.6651   1.6838   0.6933  513.681  137.845  550.680  137.295 -36.99969 194.5537 
1 1 1  -33   15    3 o  182.387   87.830  -0.5888   0.4363  -0.9413   0.6059  -0.2091   0.6288  204.840   99.779  263.231  119.500 -58.39078 155.6795 
1 1 1  -33   15    4 o  358.123  122.664   0.6361   0.4868  -0.3392   0.6628   1.7782   0.7173  260.303  119.858  571.536  137.956 -311.2330 182.7503 
1 1 1  -33   15    5 o  469.667  113.389   1.1479   0.4845   1.0263   0.6895   1.2666   0.6809  439.626  145.971  482.546  143.087 -42.92072 204.4050 
1 1 1  -33   15    6 o  1297.43   64.365   7.9651   0.7684   7.5442   1.0019   8.5665   1.1976  1245.21   88.004  1317.45   99.522 -72.23926 132.8508 
1 1 1  -33   15    7 o  409.540  149.254   0.8123   0.7301   0.8123   0.7301   0.0000   0.0000  409.540  149.254  ?   ?  0.000000 149.2537 
1 1 1  -33   15    8 o  672.026  139.539   2.3976   0.8347   2.3976   0.8347   0.0000   0.0000  672.026  139.539  ?   ?  0.000000 139.5394 
1 1 1  -33   15    9 o  219.991   98.860  -0.1500   0.4177   0.4032   0.7125  -0.4396   0.5156  351.325  142.126  218.538  102.337 132.7872 175.1355 
1 1 1  -33   15   10 o  581.391  151.209   1.8383   0.8166  -0.4981   1.5228   2.7811   0.9674  390.188  180.376  718.432  151.124 -328.2443 235.3173 
1 1 1  -33   15   11 o  315.440  116.265   0.4240   0.4448   1.6248   0.8639  -0.0091   0.5188  542.885  161.220  263.389  114.589 279.4963 197.7939 
1 1 1  -33   15   12 o  728.933   84.024   2.5823   0.5533   2.4603   0.9579   2.6433   0.6777  669.423  158.042  727.620  104.201 -58.19690 189.3023 
1 1 1  -33   15   13 o  802.301   78.208   3.1041   0.5700   3.7434   0.9478   2.7418   0.7135  854.154  124.229  738.483  108.209 115.6706 164.7485 
1 1 1  -33   15   14 o  343.655  120.401   0.5568   0.4702   0.5444   0.7986   0.5634   0.5817  378.971  151.463  356.609  132.666 22.36169 201.3484 
1 1 1  -33   15   15 o  598.325  103.589   1.8047   0.5497   1.1688   0.9317   2.1442   0.6807  470.695  169.027  644.997  119.086 -174.3022 206.7645 
1 1 1  -33   17    1 o  193.729   91.032  -0.3360   0.4140  -0.0695   0.6000  -0.5781   0.5719  263.262  118.380  214.937  102.723 48.32487 156.7348 
1 1 1  -33   17    2 o  329.382  115.828   0.5489   0.4354   0.5138   0.5936   0.5898   0.6404  336.964  131.859  352.591  137.240 -15.62732 190.3201 
1 1 1  -33   17    3 o  723.604   83.343   2.6042   0.5448   2.8382   0.7067   2.2614   0.8552  738.789  107.084  623.281  150.760 115.5071 184.9203 
1 1 1  -33   17    4 o  235.084  104.706  -0.0805   0.4575  -0.6336   0.6163   0.5987   0.6830  224.842  107.227  362.985  141.602 -138.1428 177.6197 
1 1 1  -33   17    5 o  478.326  113.777   1.2124   0.4935   1.6233   0.6886   0.7786   0.7076  540.389  137.993  393.308  146.315 147.0814 201.1224 
1 1 1  -33   17    6 o  446.927   94.750   1.0193   0.3776   0.8129   0.6346   1.1324   0.4697  396.565  139.807  464.212  111.390 -67.64661 178.7560 
1 1 1  -33   17    7 o  602.778   77.523   1.7769   0.4200   1.2403   0.7258   2.0471   0.5150  472.319  149.231  641.535   89.695 -169.2162 174.1126 
1 1 1  -33   17    8 o  203.763   94.628  -0.3079   0.4263  -0.1758   0.6664  -0.3994   0.5545  275.012  124.106  229.946  107.168 45.06599 163.9734 
1 1 1  -33   17    9 o  371.380  110.116   0.7105   0.4033   0.5815   0.7510   0.7628   0.4780  373.911  147.689  383.910  121.090 -9.999176 190.9838 
1 1 1  -33   17   10 o  354.528  113.798   0.6360   0.4208   0.9944   0.7614   0.4783   0.5049  434.150  153.126  330.196  123.444 103.9538 196.6877 
1 1 1  -33   17   11 o  447.747  150.254   1.0834   0.7302   0.1990   1.5589   1.3321   0.8265  423.044  190.465  487.779  159.719 -64.73489 248.5699 
1 1 1  -33   17   12 o  374.565  117.235   0.7220   0.4490   1.5491   0.8360   0.3867   0.5323  522.485  159.380  318.490  124.798 203.9953 202.4264 
1 1 1  -33   17   13 o  256.158  110.688   0.0298   0.4776   1.1835   0.8677  -0.4715   0.5720  464.983  163.524  228.580  107.279 236.4036 195.5730 
1 1 1  -33   17   14 o  698.633  162.802   2.7766   1.0272   0.0000   0.0000   2.7766   1.0272  ?   ?   698.633  162.802 0.000000 162.8021 
1 1 1  -33   19    1 o  334.862  105.440   0.6161   0.3626   0.3121   0.5010   0.9506   0.5255  286.201  117.883  400.574  127.020 -114.3728 173.2927 
1 1 1  -33   19    2 o  460.439   98.876   1.1373   0.4064   1.0174   0.5576   1.2732   0.5936  415.690  130.733  462.922  132.576 -47.23196 186.1915 
1 1 1  -33   19    3 o  348.919  114.779   0.6600   0.4267   0.8653   0.5587   0.3726   0.6609  389.721  131.420  319.929  133.890 69.79211 187.6111 
1 1 1  -33   19    4 o  390.571   94.467   0.8030   0.3358  -0.0284   0.5959   1.1899   0.4065  266.898  119.137  476.671   95.997 -209.7722 153.0002 
1 1 1  -33   19    5 o  684.185   64.963   2.2724   0.4041   2.0761   0.6988   2.3710   0.4953  610.393  128.478  690.377   79.411 -79.98474 151.0391 
1 1 1  -33   19    6 o  335.148  105.780   0.5851   0.3648   1.5243   0.6961   0.2296   0.4283  512.703  142.446  269.939  109.831 242.7637 179.8711 
1 1 1  -33   19    7 o  1121.26   53.618   5.9539   0.5532   6.0620   0.9394   5.8965   0.6845  1096.53   94.007  1104.79   67.658 -8.260376 115.8229 
1 1 1  -33   19    8 o  508.849  100.201   1.3428   0.4525   1.2763   0.8264   1.3713   0.5407  466.347  159.827  503.718  118.619 -37.37100 199.0356 
1 1 1  -33   19    9 o  381.024  122.365   0.7727   0.4865   0.4045   0.7861   1.0012   0.6193  348.834  146.006  425.198  138.211 -76.36395 201.0475 
1 1 1  -33   19   10 o  318.157  114.736   0.4802   0.4298   0.0830   0.7875   0.6487   0.5129  316.553  139.354  357.615  125.722 -41.06241 187.6848 
1 1 1  -33   19   11 o  540.984  156.518   1.7146   0.8235   1.2337   1.7213   1.8573   0.9378  484.880  209.829  553.999  168.765 -69.11899 269.2766 
1 1 1  -33   19   12 o  592.257  195.663   2.2902   1.2394   2.6245   1.7219   1.9307   1.7854  599.411  227.131  538.593  222.270 60.81787 317.7927 
1 1 1  -33   21    1 o  477.327  102.853   1.2803   0.4384   0.0000   0.0000   1.2803   0.4384  ?   ?   477.327  102.853 0.000000 102.8530 
1 1 1  -33   21    2 o  682.438   50.822   2.2471   0.3169   2.8642   0.5439   1.9301   0.3898  746.201   80.489  619.871   69.544 126.3299 106.3713 
1 1 1  -33   21    3 o  800.835   51.658   3.0857   0.3786   2.7162   0.6507   3.2749   0.4656  707.844  102.919  817.046   62.399 -109.2017 120.3574 
1 1 1  -33   21    4 o  418.500   86.126   0.9179   0.3206   1.1817   0.6109   0.8176   0.3766  439.769  136.596  384.839  103.924 54.92996 171.6354 
1 1 1  -33   21    5 f  231.200   95.663   0.1433   0.3320   0.0240   0.6188   0.1915   0.3934  272.310  121.491  252.241  104.234 20.06998 160.0769 
1 1 1  -33   21    6 o  240.463   98.191   0.1758   0.3439   1.0411   0.6475  -0.1640   0.4058  417.790  141.483  207.825   94.983 209.9647 170.4089 
1 1 1  -33   21    7 f  652.073   86.212   2.1638   0.5046   3.5231   0.8239   1.3477   0.6384  807.698  114.021  477.410  137.707 330.2882 178.7846 
1 1 1  -33   21    8 o  499.041  165.330   1.5949   0.8847   5.7707   1.9816   0.5555   0.9887  828.862  243.651  373.429  160.291 455.4326 291.6488 
1 1 1  -33   21    9 o  368.978  176.588  -0.5864   1.7028  -0.5864   1.7028   0.0000   0.0000  368.978  176.588  ?   ?  0.000000 176.5880 
1 1 1  -33   21   10 f  433.844  195.751   0.7572   1.6571   0.7572   1.6571   0.0000   0.0000  433.844  195.751  ?   ?  0.000000 195.7508 
1 1 1  -32    0    1 o  1322.45   86.917   8.3669   1.0472   8.3669   1.0472   8.3669   1.0472  1322.45   86.917  1322.45   86.917 0.000000 0.000000 
1 1 1  -32    0    2 o  776.669  122.645   3.1057   0.8111   3.1057   0.8111   3.1057   0.8111  776.669  122.645  776.669  122.645 -0.000000 0.000000 
1 1 1  -32    0    3 o  441.251  172.117   1.3160   0.6672   1.3160   0.6672   1.3160   0.6672  441.251  172.117  441.251  172.117 -0.000000 0.000000 
1 1 1  -32    0    4 o  997.975   94.752   4.8502   0.8521   4.8502   0.8521   4.8502   0.8521  997.975   94.752  997.975   94.752 0.000000 0.000000 
1 1 1  -32    0    5 o  256.469  152.248   0.4048   0.6253   0.4048   0.6253   0.4048   0.6253  256.469  152.248  256.469  152.248 0.000000 0.000000 
1 1 1  -32    0    6 o  567.157  157.171   1.8824   0.7095   1.8824   0.7095   1.8824   0.7095  567.157  157.171  567.157  157.171 0.000000 0.000000 
1 1 1  -32    0    7 o  131.576   94.733  -0.9463   0.5677  -0.9463   0.5677  -0.9463   0.5677  131.576   94.733  131.576   94.733 0.000000 0.000000 
1 1 1  -32    0    8 o  1291.06   85.487   7.9691   1.0054   7.9691   1.0054   7.9691   1.0054  1291.06   85.487  1291.06   85.487 -0.000000 0.000000 
1 1 1  -32    0    9 o  772.263  120.715   3.0622   0.7953   3.0622   0.7953   3.0622   0.7953  772.263  120.715  772.263  120.715 -0.000000 0.000000 
1 1 1  -32    0   10 o  478.310  175.732   1.5073   0.7150   1.5073   0.7150   1.5073   0.7150  478.310  175.732  478.310  175.732 -0.000000 0.000000 
1 1 1  -32    0   11 o  740.006  123.637   2.8406   0.7712   2.8406   0.7712   2.8406   0.7712  740.006  123.637  740.006  123.637 -0.000000 0.000000 
1 1 1  -32    0   12 o  803.837  126.290   3.3397   0.8652   3.3397   0.8652   3.3397   0.8652  803.837  126.290  803.837  126.290 0.000000 0.000000 
1 1 1  -32    0   13 o  593.430  163.949   2.0788   0.7743   2.0788   0.7743   2.0788   0.7743  593.430  163.949  593.430  163.949 -0.000000 0.000000 
1 1 1  -32    0   14 o  817.599  124.324   3.4561   0.8712   3.4561   0.8712   3.4561   0.8712  817.599  124.324  817.599  124.324 -0.000000 0.000000 
1 1 1  -32    0   15 o  556.288  179.405   1.9704   0.8110   1.9704   0.8110   1.9704   0.8110  556.288  179.405  556.288  179.405 -0.000000 0.000000 
1 1 1  -32    0   16 o  501.947  243.773   2.1890   1.3191   2.1890   1.3191   2.1890   1.3191  501.947  243.773  501.947  243.773 -0.000000 0.000000 
1 1 1  -32    0   17 o  994.634  189.031   5.7705   1.5483   5.7705   1.5483   5.7705   1.5483  994.634  189.031  994.634  189.031 0.000000 0.000000 
1 1 1  -32    0   18 f  210.564  142.576  -0.1784   0.8186  -0.1784   0.8186  -0.1784   0.8186  210.564  142.576  210.564  142.576 -0.000000 0.000000 
1 1 1  -32    0   19 o  746.019  196.671   3.6104   1.1664   3.6104   1.1664   3.6104   1.1664  746.019  196.671  746.019  196.671 -0.000000 0.000000 
1 1 1  -32    0   20 o  235.986  164.026  -0.3829   1.2583  -0.3829   1.2583  -0.3829   1.2583  235.986  164.026  235.986  164.026 0.000000 0.000000 
1 1 1  -32    2    1 o  937.384   69.540   4.1738   0.5955   4.2223   0.8556   4.1283   0.8295  926.534  102.045  917.282   99.888 9.252014 142.7962 
1 1 1  -32    2    2 o  634.063  113.438   2.0243   0.6375   2.3117   0.7684   1.3897   1.1420  670.642  129.211  516.832  186.931 153.8100 227.2409 
1 1 1  -32    2    3 o  722.535   98.599   2.5590   0.6384   3.2000   0.7812   1.2695   1.1079  804.509  108.270  503.005  183.782 301.5039 213.3033 
1 1 1  -32    2    4 f  755.057   79.894   2.7305   0.5467   2.9725   0.7596   2.4705   0.7873  775.492  109.498  697.456  127.369 78.03564 167.9660 
1 1 1  -32    2    5 o  413.317  115.686   0.8592   0.4574   0.5981   0.6484   1.1176   0.6452  376.785  140.085  467.330  139.444 -90.54468 197.6572 
1 1 1  -32    2    6 o  836.112   73.336   3.3135   0.5585   2.2141   0.7356   4.8100   0.8582  662.860  125.191  999.695   94.416 -336.8353 156.8029 
1 1 1  -32    2    7 o  322.973  118.155   0.4282   0.4581  -0.0950   0.6266   1.0292   0.6715  283.004  124.452  453.869  143.557 -170.8655 189.9917 
1 1 1  -32    2    8 o  1083.14   65.119   5.5027   0.6460   6.4853   0.9593   4.6873   0.8738  1166.39   90.078  987.557   97.433 178.8350 132.6918 
1 1 1  -32    2    9 o  805.620   74.379   3.0689   0.5451   2.5276   0.7483   3.6814   0.7959  715.779  117.699  873.716  100.844 -157.9368 154.9925 
1 1 1  -32    2   10 f  623.017   92.975   1.8742   0.5167   2.0887   0.7523   1.6826   0.7109  645.156  131.192  576.320  136.207 68.83661 189.1129 
1 1 1  -32    2   11 o  275.192  112.388   0.1550   0.4506   0.2587   0.6584   0.0637   0.6179  333.714  136.025  300.905  127.872 32.80896 186.6924 
1 1 1  -32    2   12 o  293.311  118.560   0.2044   0.4954  -0.7911   0.6871   1.2817   0.7148  240.755  114.364  504.439  145.783 -263.6832 185.2882 
1 1 1  -32    2   13 o  462.072  123.448   1.0646   0.5349   1.2458   0.8097   0.9242   0.7124  500.491  157.554  442.000  148.411 58.49069 216.4467 
1 1 1  -32    2   14 o  1619.73   59.894   12.205   0.8927   12.560   1.2747   11.864   1.2505  1631.85   85.189  1585.45   86.036 46.40479 121.0758 
1 1 1  -32    2   15 o  1188.94   79.648   6.6633   0.8663   6.6244   1.4285   6.6859   1.0896  1159.37  136.519  1182.42  101.115 -23.04480 169.8871 
1 1 1  -32    2   16 o  770.382  102.493   2.8704   0.7085   3.8815   1.2878   2.4315   0.8485  867.291  167.431  694.895  137.564 172.3956 216.6954 
1 1 1  -32    2   17 o  1177.55   87.174   6.5858   0.9378   6.4334   1.1326   6.9183   1.6728  1154.29  107.885  1166.11  160.120 -11.82129 193.0737 
1 1 1  -32    2   18 o  717.530  104.338   2.5126   0.6687   2.3021   0.9106   2.7590   0.9852  666.771  151.819  731.674  151.325 -64.90265 214.3555 
1 1 1  -32    2   19 o  626.098  146.703   2.0354   0.8304   2.8245   1.0456   0.6873   1.3666  733.578  159.446  469.866  194.231 263.7118 251.2941 
1 1 1  -32    2   20 o  324.384  138.526   0.0996   0.7316   0.4089   1.3628  -0.0257   0.8672  443.694  189.259  336.559  147.240 107.1353 239.7884 
1 1 1  -32    4    1 o  525.809  118.830   1.4203   0.5614   1.8117   0.9920   1.2358   0.6810  571.518  173.445  484.022  142.986 87.49646 224.7851 
1 1 1  -32    4    2 o  550.933  117.406   1.5473   0.5770   1.5036   1.0057   1.5686   0.7044  528.614  176.336  545.945  139.661 -17.33105 224.9439 
1 1 1  -32    4    3 f  351.830  125.750   0.5544   0.5151   0.2240   0.8943   0.7185   0.6302  362.801  153.995  392.545  139.214 -29.74411 207.5929 
1 1 1  -32    4    4 o  434.525  126.792   0.9596   0.5384   2.6281   0.9958   0.2705   0.6400  703.668  157.699  327.176  133.819 376.4923 206.8251 
1 1 1  -32    4    5 o  187.109   90.363  -0.7018   0.4698  -1.9276   0.8074  -0.0741   0.5777  210.516  104.848  272.883  119.761 -62.36734 159.1721 
1 1 1  -32    4    6 f  859.762   74.706   3.5062   0.5851   3.6419   0.7936   3.3446   0.8662  865.705  101.550  821.700  117.946 44.00458 155.6392 
1 1 1  -32    4    7 o  1102.36   73.934   5.7378   0.7456   5.3469   0.8784   6.7458   1.4105  1056.96   91.206  1163.43  134.220 -106.4735 162.2764 
1 1 1  -32    4    8 o  703.769   99.443   2.4049   0.6260   2.1502   0.7444   3.0203   1.1572  653.893  128.294  757.322  170.209 -103.4290 213.1443 
1 1 1  -32    4    9 o  841.606   73.123   3.3447   0.5606   3.0331   0.7441   3.7538   0.8526  790.434  104.904  879.485  107.601 -89.05060 150.2757 
1 1 1  -32    4   10 o  862.339   74.767   3.5112   0.5874   4.0452   0.8551   3.0340   0.8083  915.997  103.253  787.375  114.949 128.6226 154.5139 
1 1 1  -32    4   11 o  815.948   77.454   3.1499   0.5746   3.0733   0.8182   3.2244   0.8070  792.889  115.540  814.410  110.548 -21.52112 159.9073 
1 1 1  -32    4   12 o  735.994   88.880   2.5894   0.5897   1.5385   0.8109   3.7695   0.8593  548.933  154.176  882.932  108.019 -333.9986 188.2508 
1 1 1  -32    4   13 o  1983.26   56.011   18.277   1.0222   19.460   1.4710   17.173   1.4214  2036.73   78.491  1912.23   80.779 124.4958 112.6324 
1 1 1  -32    4   14 o  995.187   86.746   4.6992   0.7864   4.7928   1.2742   4.6416   0.9995  979.321  145.845  978.871  113.047 0.4503174 184.5270 
1 1 1  -32    4   15 o  876.589   96.472   3.6836   0.7653   2.7486   1.1764   4.3697   1.0076  722.785  178.042  946.586  118.265 -223.8009 213.7424 
1 1 1  -32    4   16 o  831.254   88.411   3.2990   0.6659   3.6606   0.9382   2.9319   0.9452  862.986  121.510  762.956  139.789 100.0298 185.2183 
1 1 1  -32    4   17 o  907.023   83.881   3.9144   0.6922   4.5490   1.0032   3.3378   0.9562  964.982  115.261  817.511  131.576 147.4702 174.9210 
1 1 1  -32    4   18 o  536.506  165.649   1.4957   0.8999   1.4957   0.8999   0.0000   0.0000  536.506  165.649  ?   ?  0.000000 165.6490 
1 1 1  -32    4   19 o  673.782  112.774   2.2541   0.6745   2.2791   0.9416   2.2277   0.9666  657.239  157.709  647.532  162.489 9.707214 226.4393 
1 1 1  -32    4   20 o  306.677  127.325   0.1818   0.5909   1.4904   1.2328  -0.2086   0.6734  538.906  194.322  280.699  125.875 258.2061 231.5286 
1 1 1  -32    6    1 f  962.017   66.907   4.3872   0.5886   4.2805   0.8331   4.4936   0.8317  934.546   98.356  959.375   95.477 -24.82922 137.0757 
1 1 1  -32    6    2 o  1147.15   61.473   6.1951   0.6465   5.2888   0.8685   7.3215   0.9682  1045.38   91.205  1234.45   85.772 -189.0668 125.2005 
1 1 1  -32    6    3 o  1041.04   65.981   5.1164   0.6288   5.6840   0.8947   4.5626   0.8838  1085.71   90.382  966.546  100.863 119.1671 135.4329 
1 1 1  -32    6    4 o  775.250   78.099   2.8728   0.5495   2.4390   0.7427   3.3975   0.8169  696.147  120.296  829.594  109.705 -133.4474 162.8080 
1 1 1  -32    6    5 o  358.948  120.114   0.6094   0.4666   0.5993   0.6531   0.6199   0.6670  377.404  140.534  382.253  142.083 -4.848877 199.8433 
1 1 1  -32    6    6 o  307.576  124.362   0.2475   0.5452   2.1260   1.1083  -0.3521   0.6262  626.144  181.697  257.330  117.752 368.8148 216.5167 
1 1 1  -32    6    7 o  1153.10   70.582   6.2633   0.7453   4.9121   1.2569   6.9960   0.9256  985.629  142.737  1213.45   83.402 -227.8207 165.3170 
1 1 1  -32    6    8 o  895.310   71.913   3.7840   0.5874   4.8654   0.8839   2.9286   0.7862  1006.28   96.650  771.654  114.169 234.6233 149.5857 
1 1 1  -32    6    9 o  1065.56   66.076   5.3267   0.6447   4.6883   0.8806   6.0639   0.9463  987.818   98.185  1127.28   92.032 -139.4614 134.5742 
1 1 1  -32    6   10 o  558.510  103.997   1.5324   0.5148   1.7798   0.7366   1.2961   0.7198  591.722  137.844  505.184  146.372 86.53818 201.0613 
1 1 1  -32    6   11 o  411.796  119.643   0.8376   0.4803   0.6500   0.6351   1.0882   0.7341  387.640  139.515  469.534  150.262 -81.89401 205.0443 
1 1 1  -32    6   12 o  797.709   99.475   3.0662   0.7143   2.8006   0.8404   3.7573   1.3558  751.898  125.921  846.457  179.624 -94.55884 219.3649 
1 1 1  -32    6   13 o  1238.66   92.324   7.2961   1.0447   8.2174   1.4405   6.2738   1.5174  1299.77  121.868  1118.03  151.388 181.7369 194.3456 
1 1 1  -32    6   14 o  622.172  122.025   1.9267   0.6736   1.1913   1.0986   2.3698   0.8528  506.607  183.325  684.644  140.082 -178.0363 230.7185 
1 1 1  -32    6   15 o  270.379  118.120  -0.0689   0.5563   0.6784   0.8074  -0.7446   0.7677  411.810  155.651  262.044  123.392 149.7663 198.6277 
1 1 1  -32    6   16 f  1062.76   78.204   5.3408   0.7594   5.8635   1.0658   4.8019   1.0823  1101.53  106.483  988.760  121.511 112.7690 161.5654 
1 1 1  -32    6   17 o  1413.65   80.572   9.4595   1.0437   9.4172   1.2711   9.5469   1.8287  1400.42   99.284  1377.17  146.563 23.24927 177.0258 
1 1 1  -32    6   18 o  744.438  114.223   2.7435   0.7575   1.7655   0.9282   4.6928   1.3104  576.825  165.961  953.464  154.659 -376.6391 226.8535 
1 1 1  -32    6   19 o  834.355   87.871   3.3496   0.6645   3.2404   0.9506   3.4540   0.9292  798.349  134.166  829.364  125.694 -31.01489 183.8465 
1 1 1  -32    6   20 o  671.081  104.135   2.2230   0.6222   4.0161   1.1086   1.3984   0.7518  884.962  140.863  516.211  149.596 368.7508 205.4786 
1 1 1  -32    8    1 o  825.583   91.993   3.3281   0.6870   4.0224   0.8077   1.5130   1.3060  904.701   98.625  530.679  198.509 374.0221 221.6589 
1 1 1  -32    8    2 f  898.725   85.752   3.8989   0.7005   4.1524   0.8214   3.2229   1.3416  921.052   98.447  748.788  193.364 172.2642 216.9826 
1 1 1  -32    8    3 o  1494.47   67.264   10.520   0.9250   10.722   1.0779   9.9546   1.8016  1500.75   78.328  1393.63  142.490 107.1222 162.6003 
1 1 1  -32    8    4 o  596.086   93.915   1.7414   0.4981   1.1648   0.6778   2.4182   0.7344  474.434  143.236  693.086  119.463 -218.6519 186.5151 
1 1 1  -32    8    5 o  1256.00   59.826   7.3792   0.6914   8.7993   1.0201   6.1725   0.9404  1359.58   81.924  1133.38   90.935 226.1932 122.3960 
1 1 1  -32    8    6 o  431.404  118.115   0.9389   0.4826   1.2249   0.6942   0.6715   0.6714  487.882  144.439  391.449  143.057 96.43314 203.2925 
1 1 1  -32    8    7 o  1036.14   65.804   5.0479   0.6241   4.0921   0.8601   6.1107   0.9070  917.661  103.680  1131.28   87.824 -213.6185 135.8768 
1 1 1  -32    8    8 o  948.311   80.982   4.2739   0.6999   5.8640   1.3991   3.7433   0.8083  1077.69  144.749  878.886  101.831 198.8057 176.9798 
1 1 1  -32    8    9 o  777.336   78.641   2.8725   0.5548   2.3617   0.7500   3.4896   0.8243  688.129  122.964  846.189  108.358 -158.0599 163.8948 
1 1 1  -32    8   10 o  692.029   89.577   2.3026   0.5570   2.9732   0.8018   1.6772   0.7744  777.751  115.556  570.927  146.633 206.8241 186.6932 
1 1 1  -32    8   11 o  852.946   86.597   3.4699   0.6702   5.4819   1.1726   2.4935   0.8168  1057.24  122.819  705.354  130.662 351.8901 179.3242 
1 1 1  -32    8   12 o  266.186  116.755  -0.0874   0.5484   1.0448   0.8581  -0.8692   0.7130  468.802  162.736  241.222  115.122 227.5797 199.3388 
1 1 1  -32    8   13 o  752.766   99.728   2.7412   0.6738   2.0978   0.8123   4.1605   1.2064  641.711  141.379  905.977  149.956 -264.2662 206.0937 
1 1 1  -32    8   14 o  292.500  123.214   0.0967   0.5656  -0.1610   0.6925   0.6129   0.9802  291.857  129.468  423.705  168.294 -131.8485 212.3315 
1 1 1  -32    8   15 o  744.760   99.325   2.6890   0.6637   3.2369   0.9317   2.1243   0.9457  804.770  130.266  636.791  161.238 167.9794 207.2845 
1 1 1  -32    8   16 o  821.875   86.721   3.2343   0.6459   2.7626   0.9013   3.7324   0.9261  737.431  137.902  869.521  118.865 -132.0891 182.0601 
1 1 1  -32    8   17 o  1701.89   92.702   13.859   1.4463   13.859   1.4463   0.0000   0.0000  1701.89   92.702  ?   ?  0.000000 92.70222 
1 1 1  -32    8   18 o  962.287  108.460   4.5417   0.9436   4.8836   1.1384   3.7907   1.6870  986.485  128.454  803.954  221.133 182.5314 255.7342 
1 1 1  -32    8   19 o  607.791  126.299   1.8891   0.6833   1.6512   0.9640   2.1293   0.9686  553.548  171.540  627.424  165.418 -73.87537 238.3047 
1 1 1  -32   10    1 o  673.607   82.749   2.2062   0.5021   2.5417   0.6998   1.8501   0.7209  709.657  110.790  590.831  135.480 118.8264 175.0120 
1 1 1  -32   10    2 o  1055.32   61.951   5.2569   0.5990   4.4222   0.8176   6.2236   0.8799  951.604   94.628  1136.44   84.755 -184.8351 127.0351 
1 1 1  -32   10    3 o  1104.15   63.507   5.7517   0.6425   6.1585   0.8993   5.3275   0.9183  1130.57   87.117  1045.74   96.521 84.82703 130.0220 
1 1 1  -32   10    4 o  1154.60   73.177   6.3269   0.7734   5.4471   0.8615   9.9832   1.7561  1063.25   88.868  1400.58  138.061 -337.3311 164.1896 
1 1 1  -32   10    5 o  1454.59   67.965   9.9550   0.9097   11.328   1.1021   7.0192   1.6114  1544.62   77.792  1162.53  154.458 382.0968 172.9417 
1 1 1  -32   10    6 o  1401.02   57.668   9.1703   0.7434   8.1785   1.0101   10.343   1.0982  1309.39   84.285  1474.85   81.234 -165.4620 117.0589 
1 1 1  -32   10    7 o  468.793  119.645   1.1145   0.5178   0.3945   0.6955   2.0103   0.7758  354.124  141.412  624.519  138.614 -270.3950 198.0180 
1 1 1  -32   10    8 o  252.348  112.240  -0.1443   0.5239  -0.5046   0.6836   0.3685   0.8155  258.491  119.971  370.137  151.185 -111.6467 193.0026 
1 1 1  -32   10    9 o  749.444  147.113   2.8872   0.9783   0.0000   0.0000   2.8872   0.9783  ?   ?   749.444  147.113 0.000000 147.1134 
1 1 1  -32   10   10 o  569.415  114.114   1.6174   0.5771   2.2554   0.9011   1.1736   0.7514  659.188  151.699  481.799  151.797 177.3884 214.6041 
1 1 1  -32   10   11 o  381.122  127.208   0.6861   0.5234   0.4988   0.7357   0.8781   0.7448  376.131  146.899  433.108  151.541 -56.97675 211.0543 
1 1 1  -32   10   12 o  262.338  112.686   0.0075   0.4892   0.3510   0.6860  -0.3480   0.6980  348.602  140.005  275.374  125.354 73.22821 187.9233 
1 1 1  -32   10   13 o  925.105   80.962   4.0683   0.6822   4.5874   0.9953   3.6083   0.9370  968.267  113.892  853.218  122.891 115.0490 167.5513 
1 1 1  -32   10   14 o  795.492   74.222   3.0011   0.5370   3.1845   0.8635   2.8855   0.6858  800.977  120.925  771.088   98.934 29.88922 156.2392 
1 1 1  -32   10   15 o  526.824  115.046   1.3955   0.5421   0.7764   0.7852   1.9593   0.7493  419.470  154.498  618.360  135.431 -198.8908 205.4541 
1 1 1  -32   10   16 o  494.402  117.082   1.2381   0.5244   0.1465   0.8657   1.8709   0.6591  352.765  150.666  608.280  122.006 -255.5156 193.8706 
1 1 1  -32   10   17 o  682.083   98.889   2.2817   0.6026   2.7564   0.9978   2.0092   0.7560  722.157  154.808  623.299  135.659 98.85815 205.8373 
1 1 1  -32   10   18 o  1174.55   68.594   6.5221   0.7381   6.6636   1.2097   6.4382   0.9317  1160.03  114.834  1156.93   88.181 3.098145 144.7852 
1 1 1  -32   10   19 o  452.952  179.705   0.8489   1.1164   1.3929   1.5199   0.2116   1.6452  533.925  210.360  452.032  200.082 81.89307 290.3174 
1 1 1  -32   12    1 o  997.033   68.564   4.7433   0.6252   6.4885   1.0500   3.7846   0.7782  1144.29  100.749  873.508   98.541 270.7795 140.9281 
1 1 1  -32   12    2 o  668.639   89.664   2.1952   0.5378   2.2200   0.8026   2.1749   0.7245  645.990  139.129  646.705  126.271 -0.7141724 187.8864 
1 1 1  -32   12    3 o  489.404  119.306   1.2388   0.5324   1.7124   0.7814   0.8285   0.7274  563.429  148.592  414.364  149.284 149.0647 210.6308 
1 1 1  -32   12    4 o  847.577   88.887   3.4844   0.6829   4.5958   1.0036   2.5260   0.9320  958.293  116.188  687.421  151.427 270.8716 190.8660 
1 1 1  -32   12    5 o  1632.85   59.345   12.497   0.8917   14.113   1.4500   11.514   1.1307  1710.77   92.454  1554.32   79.321 156.4504 121.8184 
1 1 1  -32   12    6 o  596.154  133.688   1.8408   0.7153   2.4971   0.9060   0.7553   1.1653  689.542  147.272  449.897  181.845 239.6446 234.0015 
1 1 1  -32   12    7 o  972.274   96.630   4.5832   0.8531   3.8083   1.0233   6.3484   1.5444  866.389  132.578  1104.30  156.358 -237.9120 204.9994 
1 1 1  -32   12    8 o  218.793  101.379  -0.3643   0.4852   0.4630   0.7543  -0.9480   0.6336  371.096  147.562  215.557  104.304 155.5392 180.7040 
1 1 1  -32   12    9 o  474.280  119.702   1.1422   0.5224   1.1166   0.7601   1.1652   0.7192  469.711  153.139  476.956  148.227 -7.244629 213.1263 
1 1 1  -32   12   10 o  729.885  107.073   2.6205   0.6977   1.6928   1.3571   2.9538   0.8135  569.013  204.031  770.403  118.554 -201.3909 235.9737 
1 1 1  -32   12   11 o  288.560  119.945   0.1452   0.5253   0.6589   0.7390  -0.3795   0.7469  397.032  149.166  282.369  128.976 114.6625 197.1939 
1 1 1  -32   12   12 o  751.961   72.143   2.6843   0.4930   2.3498   0.7856   2.9016   0.6333  680.218  130.259  775.500   90.448 -95.28259 158.5817 
1 1 1  -32   12   13 o  877.495   74.372   3.6555   0.5949   3.6198   0.9217   3.6810   0.7787  852.417  120.902  870.457   98.986 -18.04047 156.2550 
1 1 1  -32   12   14 o  819.479   81.697   3.2151   0.6078   3.5616   0.9612   2.9843   0.7846  840.432  128.369  775.641  113.273 64.79150 171.2003 
1 1 1  -32   12   15 o  278.246  113.706   0.1776   0.4615  -0.3681   0.7516   0.5080   0.5848  282.986  129.308  352.909  132.672 -69.92389 185.2634 
1 1 1  -32   12   16 o  751.710   83.484   2.7240   0.5677   3.0320   0.9229   2.5365   0.7200  767.145  135.706  711.624  113.796 55.52106 177.1033 
1 1 1  -32   12   17 f  531.955  119.075   1.4510   0.5683   1.0726   0.9076   1.6950   0.7289  463.783  166.794  566.506  140.514 -102.7227 218.0932 
1 1 1  -32   12   18 o  506.701  145.254   1.3655   0.7122   1.5865   0.9571   1.0913   1.0661  538.084  171.513  473.948  178.931 64.13556 247.8569 
1 1 1  -32   14    1 o  427.651  108.376   0.9529   0.4270   1.2254   0.6144   0.6983   0.5939  474.604  134.521  376.229  134.964 98.37573 190.5549 
1 1 1  -32   14    2 o  498.834  102.787   1.2699   0.4561   1.0998   0.6261   1.4623   0.6658  452.595  137.890  519.522  137.236 -66.92731 194.5436 
1 1 1  -32   14    3 o  893.812   68.255   3.8116   0.5571   3.6237   0.7732   4.0145   0.8034  854.179  100.284  900.595   98.559 -46.41583 140.6084 
1 1 1  -32   14    4 o  439.138  110.321   0.9905   0.4452   0.5316   0.6097   1.5147   0.6516  355.502  135.049  534.799  132.979 -179.2969 189.5300 
1 1 1  -32   14    5 o  737.788   75.002   2.6125   0.5021   2.2277   0.6926   3.0387   0.7289  660.978  118.219  782.334  103.819 -121.3560 157.3345 
1 1 1  -32   14    6 o  753.906   76.302   2.7264   0.5220   2.3673   0.7146   3.1373   0.7644  683.157  117.942  794.350  107.332 -111.1931 159.4692 
1 1 1  -32   14    7 o  390.410  131.749   0.7442   0.5615   0.9184   0.6441   0.1925   1.1460  426.810  141.052  393.412  170.728 33.39798 221.4582 
1 1 1  -32   14    8 o  547.969  108.678   1.5110   0.5286   2.1631   0.7358   0.8152   0.7600  649.182  127.719  418.102  152.298 231.0800 198.7636 
1 1 1  -32   14    9 o  613.431   79.614   1.8148   0.4388   2.3781   0.7679   1.5418   0.5347  682.333  126.985  553.911  108.782 128.4222 167.2085 
1 1 1  -32   14   10 o  762.864  128.279   2.9621   0.8685   3.9793   1.4762   2.4236   1.0741  839.029  194.931  663.713  173.810 175.3168 261.1665 
1 1 1  -32   14   11 f  422.931  111.728   0.9070   0.4413   0.2966   0.6758   1.3607   0.5827  335.699  137.436  514.203  124.482 -178.5037 185.4299 
1 1 1  -32   14   12 o  949.057   70.641   4.2736   0.6125   5.0348   0.9748   3.7772   0.7873  1012.08  106.260  879.112   99.050 132.9631 145.2656 
1 1 1  -32   14   13 o  260.061  108.865   0.1009   0.4371   0.4466   0.7404  -0.0840   0.5416  364.161  145.734  261.563  115.334 102.5974 185.8499 
1 1 1  -32   14   14 o  1142.99   63.861   6.1648   0.6690   5.3794   1.0692   6.6700   0.8575  1039.78  113.598  1181.14   79.363 -141.3529 138.5749 
1 1 1  -32   14   15 f  294.105  115.298   0.2939   0.4545   0.3660   0.8079   0.2606   0.5498  361.975  149.461  306.642  124.565 55.33344 194.5635 
1 1 1  -32   14   16 o  1121.04   69.308   5.9719   0.7114   7.4177   1.2292   5.2437   0.8724  1221.12  110.600  1037.48   92.347 183.6411 144.0843 
1 1 1  -32   14   17 o  914.820   86.323   4.0601   0.7181   3.5062   1.0803   4.4986   0.9611  809.060  150.649  947.003  112.498 -137.9423 188.0180 
1 1 1  -32   16    1 o  588.985   86.812   1.7383   0.4564   1.7404   0.6273   1.7359   0.6653  566.938  123.715  561.041  131.206 5.897339 180.3335 
1 1 1  -32   16    2 o  325.898  112.601   0.5191   0.4106   0.5883   0.5717   0.4454   0.5900  353.351  131.503  332.733  131.073 20.61774 185.6694 
1 1 1  -32   16    3 o  505.357  104.451   1.3155   0.4697   1.3611   0.6587   1.2682   0.6698  497.466  138.689  479.421  141.867 18.04550 198.3957 
1 1 1  -32   16    4 o  209.914   94.814  -0.1552   0.3900   0.0345   0.5295  -0.3800   0.5765  268.764  116.340  237.385  110.175 31.37831 160.2299 
1 1 1  -32   16    5 o  671.870   88.614   2.2235   0.5345   2.5092   0.7189   1.8704   0.7992  699.192  115.791  582.883  148.566 116.3093 188.3594 
1 1 1  -32   16    6 o  484.332  113.478   1.2140   0.4969   1.6957   0.6802   0.6628   0.7276  564.437  133.130  386.420  147.350 178.0168 198.5836 
1 1 1  -32   16    7 o  558.402   83.190   1.5271   0.4144   2.3902   0.7212   1.1017   0.5063  682.453  119.177  460.106  118.782 222.3471 168.2631 
1 1 1  -32   16    8 o  872.930   78.781   3.6697   0.6260   4.5137   0.9125   2.9195   0.8604  952.555  105.899  750.291  129.285 202.2640 167.1203 
1 1 1  -32   16    9 o  910.921   65.686   3.9390   0.5469   4.1264   0.8744   3.8186   0.7009  910.594  106.357  886.664   87.029 23.93054 137.4259 
1 1 1  -32   16   10 o  779.830   70.333   2.9047   0.4993   2.6896   0.8380   3.0231   0.6216  718.913  131.524  788.136   87.176 -69.22333 157.7921 
1 1 1  -32   16   11 o  427.973  149.757   0.9214   0.7274   0.6032   1.4976   1.0196   0.8321  457.125  196.769  448.292  159.864 8.833618 253.5244 
1 1 1  -32   16   12 o  1044.65   62.779   5.1632   0.6007   6.9213   1.0631   4.3387   0.7280  1187.50   98.170  946.705   84.457 240.7989 129.5005 
1 1 1  -32   16   13 f  757.706   78.273   2.7724   0.5379   2.8162   0.9271   2.7502   0.6604  726.033  143.857  744.535   98.834 -18.50140 174.5359 
1 1 1  -32   16   14 o  944.099   72.289   4.2670   0.6232   4.7377   1.1051   4.0475   0.7547  957.129  128.745  908.884   91.481 48.24524 157.9369 
1 1 1  -32   16   15 o  450.115  124.029   1.0658   0.5302   0.5462   0.8875   1.3541   0.6611  388.000  158.014  501.241  138.655 -113.2404 210.2228 
1 1 1  -32   16   16 o  434.599  165.859   0.9121   0.9223   0.0000   0.0000   0.9121   0.9223  ?   ?   434.599  165.859 0.000000 165.8588 
1 1 1  -32   18    1 o  406.891  101.738   0.8845   0.3799   0.9603   0.5453   0.8130   0.5296  411.668  129.248  382.883  127.962 28.78503 181.8770 
1 1 1  -32   18    2 o  266.995  105.763   0.2591   0.3861   0.4748   0.5235   0.0016   0.5719  323.957  124.638  267.567  118.223 56.39001 171.7888 
1 1 1  -32   18    3 o  416.691  109.372   0.9258   0.4247   0.3046   0.5576   1.7835   0.6553  304.476  124.767  569.254  128.182 -264.7782 178.8781 
1 1 1  -32   18    4 o  296.990   97.697   0.4350   0.3091  -0.0042   0.5584   0.6291   0.3712  267.028  117.453  348.371  106.180 -81.34265 158.3334 
1 1 1  -32   18    5 o  930.348   52.920   4.0925   0.4512   3.8668   0.7566   4.2170   0.5620  878.594   95.100  937.786   65.543 -59.19214 115.4986 
1 1 1  -32   18    6 o  206.393   90.563  -0.0391   0.3302   0.8193   0.6213  -0.3771   0.3899  397.173  138.442  185.706   87.593 211.4676 163.8252 
1 1 1  -32   18    7 o  592.121   78.580   1.7182   0.4176   1.6000   0.7185   1.7784   0.5131  536.968  142.897  593.394   97.354 -56.42542 172.9086 
1 1 1  -32   18    8 o  357.044  111.687   0.6510   0.4076   0.6738   0.6909   0.6388   0.5048  380.246  143.920  359.373  124.815 20.87302 190.5041 
1 1 1  -32   18    9 o  712.093   85.554   2.4938   0.5494   2.2062   0.8248   2.7232   0.7365  633.296  144.709  727.642  113.720 -94.34576 184.0459 
1 1 1  -32   18   10 o  211.068   95.246  -0.1503   0.3925  -0.4908   0.7229  -0.0080   0.4673  261.171  121.934  248.796  108.486 12.37505 163.2093 
1 1 1  -32   18   11 o  536.671  152.712   1.6212   0.7902   0.9245   1.6394   1.8320   0.9018  475.454  205.264  563.564  164.001 -88.10938 262.7350 
1 1 1  -32   18   12 o  890.037   71.520   3.8123   0.5808   4.2134   1.0126   3.6157   0.7090  897.060  126.158  854.873   91.557 42.18658 155.8796 
1 1 1  -32   18   13 o  562.808  107.949   1.6318   0.5387   1.6155   0.9396   1.6399   0.6575  526.634  170.160  551.011  131.503 -24.37750 215.0518 
1 1 1  -32   18   14 o  429.920  125.967   0.9862   0.5304   0.0278   0.8467   1.6052   0.6805  325.472  143.827  541.993  136.518 -216.5213 198.3012 
1 1 1  -32   20    1 o  851.895   40.952   3.4236   0.3210   3.0264   0.5419   3.6383   0.3985  774.235   77.087  871.758   49.882 -97.52240 91.81792 
1 1 1  -32   20    2 o  527.357   58.876   1.3548   0.2808   1.2333   0.4732   1.4208   0.3489  471.661  110.896  532.537   73.134 -60.87585 132.8397 
1 1 1  -32   20    3 o  236.709   90.245   0.2274   0.2729   0.5256   0.4774   0.0827   0.3326  323.887  120.243  222.026   94.055 101.8604 152.6585 
1 1 1  -32   20    4 o  212.117   89.080   0.0797   0.2942   0.6353   0.5545  -0.1379   0.3470  350.608  129.702  195.207   88.679 155.4012 157.1195 
1 1 1  -32   20    5 o  712.274   60.396   2.4452   0.3921   2.0397   0.6743   2.6523   0.4820  607.578  124.780  735.079   72.191 -127.5014 144.1577 
1 1 1  -32   20    6 o  294.125  103.132   0.4188   0.3450   0.1273   0.6712   0.5235   0.4022  298.920  130.186  322.302  111.448 -23.38281 171.3746 
1 1 1  -32   20    7 o  748.747   68.216   2.7224   0.4648   3.2147   0.8335   2.5001   0.5600  774.167  120.955  705.149   88.241 69.01746 149.7216 
1 1 1  -32   20    8 o  193.533   89.615  -0.2485   0.3782  -0.0728   0.7135  -0.3172   0.4460  288.076  129.349  206.267   96.125 81.80885 161.1554 
1 1 1  -32   20    9 o  672.940   88.891   2.2743   0.5370   3.2006   0.8735   1.7117   0.6808  768.672  127.998  552.988  134.971 215.6837 186.0128 
1 1 1  -32   20   10 o  240.509  103.268   0.0539   0.4106  -0.2112   0.7823   0.1547   0.4824  289.250  132.073  270.670  113.891 18.58008 174.3974 
1 1 1  -32   20   11 o  478.470  156.964   1.3383   0.7981   2.6494   1.8244   1.0280   0.8875  589.010  230.977  432.840  163.295 156.1707 282.8706 
1 1 1  -32   20   12 f  288.278  120.084   0.2156   0.5281   0.1498   1.5594   0.2242   0.5613  406.199  185.853  295.220  123.456 110.9794 223.1205 
1 1 1  -32   20   13 o  481.254  210.475   1.1652   1.7707   1.1652   1.7707   0.0000   0.0000  481.254  210.475  ?   ?  0.000000 210.4753 
1 1 1  -32   22    1 o  379.886  182.413   0.7407   1.8509   0.0000   0.0000   0.7407   1.8509  ?   ?   379.886  182.413 0.000000 182.4135 
1 1 1  -32   22    2 o  506.719   60.345   1.2698   0.2758   1.2824   0.4270   1.2607   0.3614  482.478   99.476  490.514   83.026 -8.035980 129.5710 
1 1 1  -32   22    3 o  993.370   41.586   4.6667   0.3801   4.7498   0.6366   4.6206   0.4739  974.697   71.483  979.147   52.788 -4.450012 88.86173 
1 1 1  -32   22    4 o  399.469   87.577   0.8435   0.3130   0.6713   0.5647   0.9199   0.3761  348.062  130.464  409.841  100.503 -61.77884 164.6871 
1 1 1  -32   22    5 o  370.114   98.113   0.7419   0.3396   1.1507   0.6204   0.5672   0.4057  434.838  138.034  325.179  111.955 109.6588 177.7282 
1 1 1  -32   22    6 o  291.695  104.868   0.4213   0.3587  -0.1614   0.6305   0.7004   0.4363  257.567  117.967  355.970  116.013 -98.40314 165.4547 
1 1 1  -32   22    7 o  154.439   75.543  -0.6050   0.3580  -0.0391   0.6962  -0.8084   0.4173  281.143  126.864  159.397   78.675 121.7453 149.2793 
1 1 1  -32   22    8 o  443.386  121.881   1.1106   0.5127  -2.1079   1.5937   1.4821   0.5415  303.584  150.545  517.877  116.451 -214.2925 190.3271 
1 1 1  -32   22    9 o  612.723  235.111   3.4041   1.8596   3.4041   1.8596   0.0000   0.0000  612.723  235.111  ?   ?  0.000000 235.1115 
1 1 1  -32   22   10 f  455.952  204.336   1.1511   1.7715   1.1511   1.7715   0.0000   0.0000  455.952  204.336  ?   ?  0.000000 204.3356 
1 1 1  -31    1    1 o  661.045   87.046   2.1324   0.5166   2.6119   0.7627   1.7261   0.7022  715.842  120.046  571.805  135.524 144.0368 181.0466 
1 1 1  -31    1    2 o  1020.54   64.502   4.9252   0.6026   5.4975   0.8488   4.3438   0.8556  1066.77   87.239  940.201  100.453 126.5663 133.0471 
1 1 1  -31    1    3 o  1161.48   60.628   6.3497   0.6457   6.2766   0.9116   6.4233   0.9148  1141.04   87.486  1154.82   86.723 -13.77832 123.1860 
1 1 1  -31    1    4 o  1092.85   60.391   5.6169   0.6049   5.5594   0.8681   5.6711   0.8434  1073.96   88.640  1086.71   85.023 -12.75537 122.8249 
1 1 1  -31    1    5 f  1920.48   50.826   17.188   0.8982   19.026   1.3272   15.635   1.2200  2007.83   71.837  1819.47   72.868 188.3638 102.3244 
1 1 1  -31    1    6 o  1415.79   55.076   9.3535   0.7175   9.6637   1.0163   9.0452   1.0132  1427.28   77.675  1379.37   80.169 47.91321 111.6265 
1 1 1  -31    1    7 o  1112.44   61.950   5.8058   0.6316   5.9975   0.8944   5.6151   0.8921  1120.15   87.466  1082.27   90.408 37.88013 125.7934 
1 1 1  -31    1    8 o  1596.01   53.845   11.857   0.7908   12.046   1.1178   11.667   1.1189  1599.59   75.940  1573.58   77.274 26.01135 108.3425 
1 1 1  -31    1    9 o  1304.53   57.470   7.9261   0.6899   8.9666   1.0102   7.0171   0.9443  1377.50   80.047  1216.00   84.929 161.5013 116.7065 
1 1 1  -31    1   10 o  506.911  108.104   1.2727   0.4889   1.5879   0.7224   1.0065   0.6640  558.178  140.693  451.848  142.729 106.3297 200.4146 
1 1 1  -31    1   11 o  590.218   98.530   1.6934   0.5162   1.5954   0.7386   1.7870   0.7219  560.075  142.858  595.095  134.938 -35.01953 196.5116 
1 1 1  -31    1   12 f  762.812   78.273   2.7547   0.5416   3.5065   0.7870   2.0784   0.7465  853.828  102.206  645.187  130.231 208.6417 165.5481 
1 1 1  -31    1   13 o  273.383  114.241   0.0929   0.4801   0.2400   0.6702  -0.0623   0.6882  334.236  136.853  302.640  131.817 31.59601 190.0117 
1 1 1  -31    1   14 o  2127.26   55.135   21.008   1.0792   23.118   1.5947   19.225   1.4660  2221.59   78.008  2025.60   78.652 195.9875 110.7765 
1 1 1  -31    1   15 o  515.136  117.227   1.3181   0.5432   1.4287   0.7503   1.1963   0.7873  531.511  147.969  492.097  155.418 39.41473 214.5918 
1 1 1  -31    1   16 o  647.665  121.315   2.0751   0.6964   3.3149   1.2499   1.5169   0.8387  798.776  174.898  545.848  157.956 252.9282 235.6674 
1 1 1  -31    1   17 o  1192.26  104.948   6.8240   1.1396   10.113   1.7490   4.3970   1.5024  1435.52  133.952  914.996  184.802 520.5205 228.2432 
1 1 1  -31    1   18 o  1670.98   66.691   13.051   1.0254   12.625   1.4267   13.506   1.4749  1627.53   95.685  1683.58   95.598 -56.04846 135.2576 
1 1 1  -31    1   19 o  719.487  104.068   2.5267   0.6690   2.3185   0.9494   2.7321   0.9427  666.440  157.340  730.501  145.365 -64.06030 214.2126 
1 1 1  -31    1   20 o  413.944  164.515   0.6057   0.9372   0.8609   1.4163   0.4070   1.2499  489.166  199.459  431.991  182.634 57.17480 270.4424 
1 1 1  -31    1   21 o  741.882  118.217   2.7479   0.7799   2.3233   1.0954   3.1845   1.1108  652.616  177.642  776.188  160.809 -123.5714 239.6169 
1 1 1  -31    3    1 o  320.266  122.571   0.3977   0.5046   0.3739   0.8829   0.4092   0.6149  372.926  155.298  338.930  133.715 33.99637 204.9317 
1 1 1  -31    3    2 o  1385.08   84.734   9.2207   1.0747   8.9381   1.4939   9.5240   1.5474  1332.61  123.221  1375.51  123.575 -42.90466 174.5114 
1 1 1  -31    3    3 o  1164.56   91.747   6.5625   0.9752   6.1009   1.3494   7.0672   1.4109  1090.35  137.560  1178.68  132.372 -88.32544 190.9056 
1 1 1  -31    3    4 o  905.031   82.456   3.9310   0.6791   3.8169   1.1796   3.9876   0.8306  848.808  156.806  902.016  101.857 -53.20789 186.9840 
1 1 1  -31    3    5 o  1503.23   53.513   10.544   0.7402   9.2714   1.0103   12.018   1.0876  1396.16   78.964  1594.70   74.116 -198.5449 108.2984 
1 1 1  -31    3    6 o  766.812   73.080   2.7953   0.5094   2.3684   0.6994   3.2776   0.7435  689.429  114.244  819.756  100.678 -130.3268 152.2753 
1 1 1  -31    3    7 o  504.040  100.488   1.2581   0.4497   1.4820   0.6414   1.0416   0.6307  537.993  130.826  453.686  138.442 84.30692 190.4773 
1 1 1  -31    3    8 o  1008.78   63.891   4.7764   0.5900   5.1454   0.8501   4.4335   0.8195  1037.35   89.944  960.755   93.904 76.59753 130.0302 
1 1 1  -31    3    9 o  1344.22   57.297   8.4148   0.7087   9.0183   1.0310   7.8741   0.9758  1380.87   81.499  1289.49   82.677 91.38062 116.0929 
1 1 1  -31    3   10 o  745.460   81.334   2.6441   0.5489   2.6794   0.8102   2.6141   0.7461  735.166  124.193  729.607  114.943 5.558655 169.2208 
1 1 1  -31    3   11 o  863.535   71.624   3.5110   0.5640   3.2913   0.8018   3.7262   0.7935  823.874  108.395  880.688   99.666 -56.81366 147.2509 
1 1 1  -31    3   12 o  401.508  118.785   0.7890   0.4697   1.2756   0.6790   0.3425   0.6503  503.286  140.983  343.925  136.934 159.3610 196.5378 
1 1 1  -31    3   13 o  670.123   90.049   2.1518   0.5412   3.0556   0.8034   1.4008   0.7323  792.538  113.396  526.388  146.053 266.1503 184.9055 
1 1 1  -31    3   14 o  1867.25   57.305   16.201   0.9846   15.266   1.3621   17.224   1.4248  1803.27   82.091  1916.01   80.817 -112.7385 115.1972 
1 1 1  -31    3   15 o  386.987  134.604   0.6700   0.5872   2.3436   1.0752  -0.0412   0.7009  671.242  172.991  307.482  133.479 363.7598 218.5001 
1 1 1  -31    3   16 o  585.661  126.878   1.7157   0.6640   1.3408   1.0938   1.9345   0.8355  527.225  183.696  615.625  149.083 -88.39960 236.5798 
1 1 1  -31    3   17 o  1005.80   78.846   4.7795   0.7239   5.0246   1.0398   4.5489   1.0084  1017.88  112.916  966.766  115.650 51.11005 161.6319 
1 1 1  -31    3   18 o  1527.99   77.134   11.002   1.0810   11.138   1.3185   10.723   1.8880  1528.63   94.198  1468.41  141.477 60.22217 169.9673 
1 1 1  -31    3   19 o  235.016  110.759  -0.6176   0.6210  -0.7280   0.7595  -0.3950   1.0786  260.189  122.583  345.588  156.742 -85.39951 198.9836 
1 1 1  -31    3   20 o  515.944  122.057   1.3525   0.5704   1.1589   0.9622   1.4574   0.7083  486.008  172.058  530.089  142.247 -44.08112 223.2445 
1 1 1  -31    3   21 o  521.668  155.982   1.4295   0.8067   0.9325   1.3125   1.7312   1.0226  483.489  193.841  567.041  176.831 -83.55154 262.3810 
1 1 1  -31    5    1 o  538.767   95.080   1.4414   0.4541   1.4480   0.6450   1.4349   0.6395  524.512  133.343  522.330  132.776 2.182251 188.1751 
1 1 1  -31    5    2 o  1342.07   55.836   8.4326   0.6895   9.2278   0.9846   7.6673   0.9659  1391.06   77.228  1263.85   83.530 127.2186 113.7606 
1 1 1  -31    5    3 o  1364.68   55.034   8.7085   0.6911   9.4001   0.9756   8.0121   0.9791  1405.93   75.692  1293.61   82.682 112.3191 112.0964 
1 1 1  -31    5    4 o  435.290  111.139   0.9610   0.4467   0.5515   0.6034   1.4576   0.6644  361.773  135.010  528.563  135.867 -166.7904 191.5399 
1 1 1  -31    5    5 o  1224.15   69.475   7.0772   0.7793   5.7710   1.3446   7.7379   0.9564  1063.34  140.896  1273.82   82.029 -210.4756 163.0353 
1 1 1  -31    5    6 o  508.440  119.806   1.3128   0.5513   1.0089   0.9072   1.4908   0.6942  461.016  166.624  536.103  139.421 -75.08627 217.2602 
1 1 1  -31    5    7 o  1278.57   87.181   7.7967   1.0196   7.4426   1.3964   8.2010   1.4921  1226.31  125.516  1286.14  127.772 -59.83789 179.1088 
1 1 1  -31    5    8 o  573.514  116.954   1.6456   0.5963   1.4260   0.7018   2.2156   1.1306  526.731  141.699  641.647  182.705 -114.9159 231.2138 
1 1 1  -31    5    9 o  1144.31   63.116   6.1316   0.6620   6.0267   0.9341   6.2374   0.9383  1123.94   91.109  1144.08   89.856 -20.13574 127.9642 
1 1 1  -31    5   10 o  783.900   76.884   2.9115   0.5474   2.3445   0.7366   3.6108   0.8182  687.867  120.785  863.757  105.107 -175.8894 160.1146 
1 1 1  -31    5   11 o  414.945  114.895   0.8527   0.4537   0.6785   0.6043   1.0776   0.6868  389.429  136.493  466.270  144.832 -76.84042 199.0140 
1 1 1  -31    5   12 o  927.249   70.775   4.0413   0.5993   3.5926   0.8159   4.5670   0.8832  862.954  104.910  976.327   99.705 -113.3727 144.7317 
1 1 1  -31    5   13 o  1440.64   60.423   9.6581   0.8010   9.0708   1.0981   10.326   1.1709  1385.41   86.576  1478.53   86.440 -93.11169 122.3404 
1 1 1  -31    5   14 o  530.799  126.938   1.4123   0.6116   1.3539   0.9647   1.4515   0.7909  523.065  172.621  534.655  153.005 -11.59009 230.6692 
1 1 1  -31    5   15 o  994.899   86.253   4.6942   0.7818   4.2800   1.2438   4.9648   1.0052  921.674  151.949  1014.43  109.423 -92.75287 187.2482 
1 1 1  -31    5   16 o  745.716   94.053   2.6714   0.6310   3.7999   0.9239   1.6846   0.8639  882.432  116.641  571.977  158.609 310.4547 196.8808 
1 1 1  -31    5   17 o  513.748  123.649   1.3278   0.5775   2.0391   0.8951   0.8208   0.7558  627.601  155.740  426.847  152.343 200.7542 217.8608 
1 1 1  -31    5   18 o  644.812  119.231   2.0718   0.6814   2.0096   0.8485   2.1847   1.1434  623.097  149.829  637.948  184.386 -14.85114 237.5853 
1 1 1  -31    5   19 o  238.700  109.512  -0.3367   0.5465  -0.2832   0.8467  -0.3749   0.7155  311.209  140.216  276.243  126.203 34.96561 188.6471 
1 1 1  -31    5   20 o  595.025  108.690   1.7626   0.5732   1.7736   0.9338   1.7560   0.7260  575.735  166.698  582.421  137.649 -6.685547 216.1837 
1 1 1  -31    5   21 o  544.581  208.873   1.4669   1.4673   0.0000   0.0000   1.4669   1.4673  ?   ?   544.581  208.873 0.000000 208.8728 
1 1 1  -31    7    1 o  547.335  117.941   1.5382   0.5765   1.9196   0.6621   0.3424   1.1722  611.046  122.022  406.603  174.535 204.4433 212.9602 
1 1 1  -31    7    2 o  1188.92   70.124   6.7037   0.7638   6.7285   0.8898   6.6345   1.4885  1184.61   82.139  1128.64  146.804 55.96960 168.2212 
1 1 1  -31    7    3 o  629.169  106.465   1.9741   0.5944   1.8271   0.6751   2.4812   1.2535  595.653  127.047  658.728  193.829 -63.07544 231.7556 
1 1 1  -31    7    4 o  661.167   83.878   2.1119   0.4988   2.1391   0.6772   2.0796   0.7375  651.530  117.269  636.081  130.391 15.44934 175.3674 
1 1 1  -31    7    5 o  1032.75   63.255   5.0185   0.5982   4.8152   0.8502   5.2179   0.8419  998.496   93.630  1042.22   88.626 -43.72845 128.9225 
1 1 1  -31    7    6 o  455.517  107.925   1.0418   0.4454   0.8449   0.6658   1.2014   0.5993  419.130  143.460  484.096  131.241 -64.96591 194.4354 
1 1 1  -31    7    7 o  934.568   78.071   4.1484   0.6652   3.4840   1.1581   4.4756   0.8127  816.645  159.840  964.952   92.666 -148.3066 184.7589 
1 1 1  -31    7    8 o  1030.53   73.789   5.0157   0.6951   5.9329   1.3552   4.6882   0.8097  1088.12  138.488  989.989   89.863 98.12811 165.0883 
1 1 1  -31    7    9 f  890.029   69.983   3.7331   0.5685   3.2500   0.7612   4.3424   0.8549  818.544  103.372  949.504   99.318 -130.9601 143.3522 
1 1 1  -31    7   10 o  350.097  121.609   0.5470   0.4792   0.3076   0.6507   0.8305   0.7083  337.846  136.124  424.106  147.815 -86.25974 200.9458 
1 1 1  -31    7   11 o  276.402  119.160  -0.0086   0.5509   0.0104   0.6730  -0.0473   0.9593  306.106  131.833  355.258  155.157 -49.15195 203.6017 
1 1 1  -31    7   12 o  668.695  112.624   2.1948   0.6684   2.3198   0.7587   1.7617   1.4123  683.211  125.301  591.773  208.565 91.43805 243.3094 
1 1 1  -31    7   13 o  424.861  168.280   0.6056   0.9775   0.6056   0.9775   0.0000   0.0000  424.861  168.280  ?   ?  0.000000 168.2802 
1 1 1  -31    7   14 o  370.405  142.926   0.4887   0.6899   1.3544   1.0571  -0.1538   0.9106  525.979  180.740  337.657  149.186 188.3212 234.3571 
1 1 1  -31    7   15 o  656.833  101.025   2.0960   0.5910   2.6933   0.8868   1.6187   0.7928  732.321  136.623  561.849  150.374 170.4717 203.1702 
1 1 1  -31    7   16 o  568.079  101.526   1.5808   0.5112   1.5057   0.8041   1.6318   0.6623  541.164  154.073  568.414  129.520 -27.25055 201.2803 
1 1 1  -31    7   17 o  513.124  124.613   1.3309   0.5825   0.9072   0.8767   1.6659   0.7794  448.863  163.561  567.940  147.743 -119.0768 220.4096 
1 1 1  -31    7   18 o  1125.33   67.863   5.9583   0.6994   8.7399   1.1755   4.4339   0.8702  1350.01   95.239  957.281  100.283 392.7285 138.3010 
1 1 1  -31    7   19 o  228.040  105.881  -0.4098   0.5332  -0.3967   0.8288  -0.4191   0.6965  297.612  135.912  267.623  123.095 29.98962 183.3700 
1 1 1  -31    7   20 o  394.555  130.651   0.7592   0.5525   0.0438   0.8426   1.2987   0.7317  337.416  146.410  498.645  148.442 -161.2293 208.4963 
1 1 1  -31    9    1 o  690.085   76.789   2.2929   0.4793   1.9722   0.6568   2.6584   0.7011  620.545  119.360  729.047  107.762 -108.5021 160.8086 
1 1 1  -31    9    2 o  458.491  109.944   1.0707   0.4578   0.7110   0.6063   1.5479   0.6984  387.143  136.635  541.067  139.405 -153.9241 195.1996 
1 1 1  -31    9    3 o  1137.87   59.708   6.0864   0.6230   5.2811   0.8030   7.3040   0.9874  1048.79   83.907  1232.12   87.660 -183.3320 121.3457 
1 1 1  -31    9    4 o  539.605  121.732   1.4891   0.5901   2.1478   0.7002  -0.1244   1.0960  650.920  121.367  363.398  161.941 287.5210 202.3729 
1 1 1  -31    9    5 o  1407.73   66.537   9.3110   0.8619   9.4816   1.0115   8.8587   1.6468  1413.09   78.092  1324.04  137.160 89.04712 157.8325 
1 1 1  -31    9    6 o  1215.80   59.640   6.9105   0.6672   7.0640   0.9475   6.7596   0.9397  1216.56   85.179  1189.29   86.462 27.26831 121.3716 
1 1 1  -31    9    7 o  667.883   84.829   2.1457   0.5096   2.3928   0.7310   1.9123   0.7107  692.389  119.027  612.968  130.033 79.42078 176.2841 
1 1 1  -31    9    8 o  826.471   83.013   3.2598   0.6228   3.4611   0.8181   2.9823   0.9604  841.746  108.124  765.008  141.645 76.73779 178.1970 
1 1 1  -31    9    9 o  781.889  107.891   2.9858   0.7556   2.0224   1.1248   3.7778   1.0199  615.283  184.244  869.825  131.534 -254.5414 226.3781 
1 1 1  -31    9   10 o  952.603   70.483   4.2738   0.6134   4.3776   0.8643   4.1685   0.8708  953.277  100.024  928.461  103.697 24.81616 144.0758 
1 1 1  -31    9   11 o  531.531  127.469   1.4265   0.6154   1.7983   1.0199   1.2136   0.7717  586.097  175.423  491.164  153.690 94.93268 233.2253 
1 1 1  -31    9   12 o  485.710  134.149   1.1918   0.6194   0.9097   1.0219   1.3556   0.7787  464.218  175.198  515.776  153.035 -51.55792 232.6241 
1 1 1  -31    9   13 o  250.711  109.525  -0.0660   0.4783  -0.1799   0.7180   0.0249   0.6412  295.963  131.534  300.652  129.073 -4.688782 184.2852 
1 1 1  -31    9   14 o  454.226  106.187   1.0248   0.4359   1.3234   0.7396   0.8660   0.5395  509.681  148.582  419.205  128.065 90.47614 196.1564 
1 1 1  -31    9   15 o  278.486  113.202   0.1759   0.4544   0.2664   0.7383   0.1208   0.5766  347.358  143.094  297.847  124.878 49.51041 189.9218 
1 1 1  -31    9   16 o  362.097  131.402   0.5602   0.5650   0.6486   0.8073   0.4752   0.7910  405.604  155.081  380.751  151.202 24.85294 216.5922 
1 1 1  -31    9   17 o  578.654  148.662   1.7457   0.7958   2.2080   0.9530   0.6808   1.4464  646.289  160.878  477.035  198.720 169.2543 255.6785 
1 1 1  -31    9   18 o  601.058  141.591   1.8790   0.7702   1.8647   0.9263   1.9109   1.3865  590.245  164.434  592.278  206.795 -2.033508 264.2020 
1 1 1  -31    9   19 o  241.612  111.756  -0.4044   0.5858  -1.1702   0.8529   0.2793   0.8059  252.367  121.849  355.344  148.208 -102.9769 191.8664 
1 1 1  -31    9   20 o  312.224  143.987  -0.5149   0.9617   0.3499   1.4168  -1.2538   1.3097  439.284  190.233  328.623  156.608 110.6608 246.4034 
1 1 1  -31   11    1 o  463.094  104.095   1.0900   0.4328   0.7031   0.5924   1.5328   0.6338  382.530  135.052  539.981  129.271 -157.4510 186.9492 
1 1 1  -31   11    2 o  616.655   88.112   1.8605   0.4858   1.9072   0.6733   1.8098   0.7015  607.803  124.568  587.663  132.850 20.13995 182.1159 
1 1 1  -31   11    3 o  637.172   88.519   1.9805   0.5050   2.2369   0.6526   1.5981   0.7971  668.240  109.964  545.568  152.734 122.6721 188.2014 
1 1 1  -31   11    4 o  288.686  116.009   0.2339   0.4713   0.3454   0.6092   0.0677   0.7437  330.929  132.282  320.975  138.410 9.954193 191.4568 
1 1 1  -31   11    5 o  519.175  103.636   1.3457   0.4778   1.0581   0.6736   1.6368   0.6777  455.044  143.762  562.285  133.058 -107.2415 195.8879 
1 1 1  -31   11    6 o  364.165  130.983   0.5881   0.5597   0.8318   0.6385  -0.2211   1.1634  414.277  140.489  368.433  165.321 45.84427 216.9523 
1 1 1  -31   11    7 o  287.753  120.091   0.1334   0.5296   0.2921   0.6116  -0.3422   1.0587  326.050  131.760  344.193  155.775 -18.14328 204.0260 
1 1 1  -31   11    8 o  617.052   95.829   1.8576   0.5265   1.7579   0.7504   1.9542   0.7388  583.136  141.318  618.387  133.734 -35.25043 194.5654 
1 1 1  -31   11    9 o  685.818   94.182   2.2793   0.5787   1.6917   0.8919   2.7064   0.7604  567.356  162.525  739.649  115.501 -172.2931 199.3860 
1 1 1  -31   11   10 o  404.615  143.327   0.7448   0.6678   0.0000   0.0000   0.7448   0.6678  ?   ?   404.615  143.327 0.000000 143.3266 
1 1 1  -31   11   11 o  390.277  122.305   0.7427   0.4885   0.8534   0.6919   0.6326   0.6899  425.010  146.209  389.486  144.554 35.52457 205.6038 
1 1 1  -31   11   12 o  789.995   69.392   2.9461   0.4993   2.6465   0.7794   3.1547   0.6503  730.255  120.164  811.442   88.533 -81.18744 149.2565 
1 1 1  -31   11   13 o  615.168   85.444   1.8219   0.4706   1.7833   0.7838   1.8436   0.5885  587.695  145.667  611.062  108.642 -23.36688 181.7195 
1 1 1  -31   11   14 o  569.597  105.712   1.6035   0.5337   2.2972   0.8748   1.1924   0.6735  667.222  146.505  483.579  142.013 183.6425 204.0380 
1 1 1  -31   11   15 o  398.223  127.558   0.7748   0.5289   0.9763   0.7858   0.6078   0.7152  449.881  155.759  387.505  146.487 62.37589 213.8210 
1 1 1  -31   11   16 o  509.457  112.426   1.3057   0.5129   1.7005   0.8924   1.1109   0.6268  565.963  162.695  466.112  137.035 99.85052 212.7163 
1 1 1  -31   11   17 o  643.114   97.922   2.0297   0.5612   4.5022   1.0468   1.0326   0.6648  949.005  122.756  450.598  142.865 498.4067 188.3598 
1 1 1  -31   11   18 f  623.069  106.897   1.9358   0.5908   0.7461   0.9135   2.7913   0.7746  423.223  164.138  745.848  116.691 -322.6249 201.3904 
1 1 1  -31   11   19 o  325.852  130.608   0.3310   0.5957   0.4157   0.9122   0.2680   0.7865  383.429  158.610  349.079  146.073 34.34976 215.6254 
1 1 1  -31   13    1 o  910.946   67.031   3.9544   0.5579   3.4823   0.8556   4.3038   0.7359  827.258  115.547  940.326   86.005 -113.0685 144.0417 
1 1 1  -31   13    2 o  315.049  114.137   0.4366   0.4260  -0.0675   0.6410   0.8354   0.5702  283.643  125.252  405.182  132.655 -121.5391 182.4431 
1 1 1  -31   13    3 o  422.101  118.791   0.9164   0.4809   0.3290   0.7206   1.3881   0.6457  344.255  141.537  512.665  135.006 -168.4100 195.5999 
1 1 1  -31   13    4 o  1176.81   62.482   6.5284   0.6742   7.3732   1.0842   5.9959   0.8608  1230.94   96.494  1116.65   84.401 114.2937 128.1977 
1 1 1  -31   13    5 o  494.935  104.094   1.2307   0.4590   1.0783   0.7252   1.3326   0.5930  458.150  149.584  507.378  127.238 -49.22739 196.3795 
1 1 1  -31   13    6 o  199.797   93.994  -0.4342   0.4436   0.3203   0.7195  -0.8967   0.5634  346.194  141.777  200.141   97.198 146.0536 171.8961 
1 1 1  -31   13    7 o  800.987  101.657   3.1403   0.7324   2.6250   0.8626   4.4705   1.3860  714.775  136.130  913.562  171.171 -198.7874 218.7029 
1 1 1  -31   13    8 o  988.775   66.387   4.6097   0.6005   4.3269   0.8399   4.9053   0.8589  944.476   98.073  1008.39   93.635 -63.91626 135.5945 
1 1 1  -31   13    9 o  729.219   84.273   2.5549   0.5551   2.9102   0.7680   2.1664   0.8031  767.204  112.100  648.287  138.814 118.9172 178.4260 
1 1 1  -31   13   10 o  386.078  137.021   0.6776   0.6106   3.0588   1.3083   0.0145   0.6904  744.415  190.272  307.413  132.959 437.0027 232.1240 
1 1 1  -31   13   11 o  233.337  100.729  -0.0138   0.3947   0.4952   0.7205  -0.2322   0.4718  371.663  145.317  228.509  103.652 143.1537 178.4957 
1 1 1  -31   13   12 o  321.400  110.769   0.4667   0.3972   0.6039   0.7202   0.4067   0.4762  386.801  146.816  320.889  119.896 65.91174 189.5524 
1 1 1  -31   13   13 o  860.574   89.167   3.5632   0.6958   4.8036   0.9488   2.1192   1.0236  992.359  105.522  626.497  172.224 365.8611 201.9803 
1 1 1  -31   13   14 o  260.482  108.409   0.1082   0.4299   0.4130   0.7266  -0.0559   0.5332  360.374  144.318  264.032  115.486 96.34241 184.8372 
1 1 1  -31   13   15 o  681.620   84.159   2.2418   0.5166   2.7117   0.8751   1.9904   0.6401  726.255  135.945  629.485  114.737 96.76910 177.8924 
1 1 1  -31   13   16 o  267.077  112.505   0.0910   0.4715  -0.6377   0.7431   0.5823   0.6101  260.131  122.146  367.172  136.009 -107.0413 182.8060 
1 1 1  -31   13   17 o  286.844  115.608   0.2294   0.4695  -0.1624   0.7674   0.4638   0.5936  301.971  134.967  345.011  132.729 -43.04022 189.2965 
1 1 1  -31   13   18 o  282.704  118.346   0.1388   0.5166   0.1731   0.8421   0.1181   0.6541  346.247  148.258  307.823  131.207 38.42432 197.9787 
1 1 1  -31   15    1 o  731.965   69.646   2.5783   0.4634   3.2002   0.6762   2.0275   0.6364  802.995   93.258  625.307  114.830 177.6887 147.9287 
1 1 1  -31   15    2 o  279.815  107.977   0.2906   0.3938   0.0991   0.5358   0.5156   0.5808  278.884  118.805  346.893  131.797 -68.00912 177.4407 
1 1 1  -31   15    3 o  437.406  106.364   0.9813   0.4240   0.4084   0.5603   1.7490   0.6485  328.507  128.225  577.690  125.588 -249.1829 179.4824 
1 1 1  -31   15    4 o  476.547  100.929   1.1478   0.4288   1.0353   0.5767   1.2869   0.6412  444.595  131.656  491.997  136.721 -47.40182 189.8053 
1 1 1  -31   15    5 o  374.526  111.854   0.7076   0.4150   0.2918   0.5685   1.1817   0.6071  314.286  127.023  474.230  133.483 -159.9433 184.2623 
1 1 1  -31   15    6 o  303.258  112.938   0.3734   0.4218   0.2135   0.5864   0.5449   0.6072  307.373  127.162  359.386  135.171 -52.01373 185.5840 
1 1 1  -31   15    7 o  317.881  106.352   0.4754   0.3658   0.2549   0.6204   0.5929   0.4530  319.734  131.381  352.157  118.337 -32.42368 176.8181 
1 1 1  -31   15    8 o  972.083   63.885   4.4594   0.5683   3.9392   0.8388   4.9005   0.7725  895.180  103.759  1010.31   83.856 -115.1277 133.4078 
1 1 1  -31   15    9 o  1174.10   56.481   6.4474   0.6102   7.0500   0.9895   6.0776   0.7751  1210.07   89.504  1130.71   74.923 79.35645 116.7241 
1 1 1  -31   15   10 o  1120.99   60.801   5.9078   0.6248   5.8644   0.9653   5.9390   0.8197  1099.41   96.391  1115.13   80.424 -15.72791 125.5360 
1 1 1  -31   15   11 o  923.696  109.288   4.2136   0.9109   5.0434   1.5168   3.7456   1.1392  962.317  177.851  844.315  152.229 118.0019 234.1038 
1 1 1  -31   15   12 o  703.211   83.655   2.3876   0.5307   1.4864   0.7831   3.1530   0.7217  528.555  152.540  801.917   99.973 -273.3620 182.3813 
1 1 1  -31   15   13 o  471.355  110.782   1.1290   0.4724   2.4166   0.8101   0.4657   0.5815  683.495  133.592  344.292  131.621 339.2034 187.5392 
1 1 1  -31   15   14 o  261.020  109.913   0.0890   0.4498  -0.7881   0.7757   0.5333   0.5521  256.589  121.778  350.934  129.500 -94.34439 177.7641 
1 1 1  -31   15   15 f  407.437  121.659   0.8490   0.4910   0.9377   0.8583   0.8059   0.5985  439.771  161.599  402.546  136.028 37.22519 211.2293 
1 1 1  -31   15   16 o  683.224  103.554   2.3313   0.6306   2.3935   1.4965   2.3178   0.6954  625.971  215.046  674.647  116.209 -48.67603 244.4371 
1 1 1  -31   15   17 o  366.359  127.866   0.6450   0.5301   1.5818   0.9811   0.2588   0.6300  531.385  174.011  319.084  131.884 212.3004 218.3421 
1 1 1  -31   17    1 o  1393.46   50.116   9.1435   0.6426   8.4661   0.8583   10.008   0.9694  1324.29   70.688  1437.34   73.542 -113.0524 102.0055 
1 1 1  -31   17    2 o  552.703   82.116   1.5129   0.4049   1.0732   0.5238   2.1660   0.6384  446.581  123.372  646.108  111.405 -199.5271 166.2276 
1 1 1  -31   17    3 o  620.287   82.103   1.8919   0.4571   2.0411   0.6163   1.7095   0.6815  629.368  110.450  561.253  133.835 68.11493 173.5257 
1 1 1  -31   17    4 o  498.594  101.171   1.2673   0.4483   1.5985   0.6001   0.8490   0.6743  550.992  121.624  408.119  144.084 142.8733 188.5544 
1 1 1  -31   17    5 o  365.350   97.612   0.6785   0.3344   1.5101   0.6013   0.3062   0.4023  535.129  124.470  284.501  109.316 250.6279 165.6587 
1 1 1  -31   17    6 o  750.054   63.407   2.6761   0.4335   3.0238   0.7203   2.4786   0.5429  777.853  103.177  712.737   84.413 65.11621 133.3081 
1 1 1  -31   17    7 o  211.552   92.615  -0.0436   0.3436  -0.2572   0.6063   0.0576   0.4171  257.061  116.946  246.935  105.001 10.12614 157.1672 
1 1 1  -31   17    8 o  582.387   94.294   1.6831   0.4880   1.6133   0.6995   1.7493   0.6812  549.514  138.418  576.120  131.408 -26.60645 190.8601 
1 1 1  -31   17    9 o  985.908   71.491   4.6373   0.6442   3.4570   0.8467   6.2588   0.9925  827.761  114.210  1130.47   96.329 -302.7106 149.4095 
1 1 1  -31   17   10 o  882.554   65.018   3.6966   0.5243   3.8326   0.9069   3.6283   0.6425  871.079  116.035  866.859   81.511 4.219666 141.8027 
1 1 1  -31   17   11 o  337.686  139.228   0.3116   0.6997  -0.1423   1.3920   0.4651   0.8094  394.657  178.618  371.872  151.110 22.78510 233.9630 
1 1 1  -31   17   12 o  328.496  116.315   0.4953   0.4397   0.5100   0.7763   0.4884   0.5336  372.719  149.201  338.677  126.851 34.04193 195.8367 
1 1 1  -31   17   13 o  465.492  112.749   1.1195   0.4778   3.3952   0.9178   0.2733   0.5597  809.887  127.363  308.403  125.525 501.4843 178.8234 
1 1 1  -31   17   14 f  291.293  114.749   0.2917   0.4522   0.3759   0.7715   0.2476   0.5581  353.880  146.085  303.841  124.700 50.03830 192.0697 
1 1 1  -31   17   15 o  512.509  116.604   1.3691   0.5375   1.2814   0.9563   1.4096   0.6499  483.972  171.507  511.426  135.815 -27.45334 218.7698 
1 1 1  -31   17   16 o  317.565  123.311   0.3900   0.5161   0.1903   0.9338   0.4779   0.6192  355.680  154.230  345.550  134.825 10.12964 204.8531 
1 1 1  -31   19    1 o  862.097   50.614   3.5329   0.3997   3.1471   0.5554   3.9478   0.5758  797.160   76.657  898.466   70.210 -101.3066 103.9504 
1 1 1  -31   19    2 o  561.765   56.304   1.5146   0.2871   1.1406   0.4834   1.7186   0.3569  458.270  114.854  594.103   66.428 -135.8325 132.6803 
1 1 1  -31   19    3 o  808.794   48.404   3.0900   0.3586   2.7746   0.5881   3.2767   0.4524  744.798   87.476  827.363   59.828 -82.56549 105.9782 
1 1 1  -31   19    4 o  538.681   67.527   1.4105   0.3274   1.3529   0.5688   1.4390   0.4003  498.531  124.391  536.814   83.778 -38.28296 149.9728 
1 1 1  -31   19    5 o  714.738   59.227   2.4382   0.3860   2.8880   0.6931   2.2359   0.4648  752.979  102.707  676.473   75.981 76.50592 127.7566 
1 1 1  -31   19    6 o  263.096  100.718   0.2659   0.3408   0.2561   0.6241   0.2701   0.4067  312.362  130.362  276.407  108.846 35.95480 169.8288 
1 1 1  -31   19    7 o  613.086   75.969   1.8340   0.4194   1.3755   0.7356   2.0549   0.5105  495.117  149.160  643.154   88.612 -148.0374 173.4957 
1 1 1  -31   19    8 o  418.790  105.374   0.9100   0.4057   1.2460   0.7521   0.7721   0.4819  473.202  152.165  385.182  121.579 88.02005 194.7712 
1 1 1  -31   19    9 o  245.912  106.391   0.0188   0.4423   0.3925   0.7222  -0.2055   0.5595  345.586  141.845  248.670  112.827 96.91537 181.2454 
1 1 1  -31   19   10 o  665.933   76.511   2.1579   0.4603   2.7406   0.8196   1.8894   0.5563  719.370  128.540  609.617  102.838 109.7527 164.6157 
1 1 1  -31   19   11 o  489.345  150.514   1.3387   0.7438  -0.2865   1.4084   1.9673   0.8759  377.380  174.108  586.406  158.527 -209.0257 235.4664 
1 1 1  -31   19   12 o  239.029  103.721   0.0061   0.4229  -0.2155   0.7971   0.0930   0.4989  295.883  134.407  268.531  114.526 27.35184 176.5826 
1 1 1  -31   19   13 o  405.617  119.962   0.8698   0.4791   0.1249   0.8276   1.2452   0.5875  330.588  144.255  479.116  129.966 -148.5287 194.1669 
1 1 1  -31   19   14 o  508.722  118.682   1.3736   0.5454   2.9717   0.9564   0.6035   0.6639  732.483  147.011  365.697  140.445 366.7863 203.3147 
1 1 1  -31   19   15 o  288.759  126.895   0.0083   0.6505  -0.5545   0.8065   1.0563   1.1005  271.956  127.554  452.688  178.793 -180.7321 219.6292 
1 1 1  -31   21    1 o  588.542  199.507   2.8390   1.2876   5.2736   1.8469   0.5371   1.7959  741.583  238.452  395.572  187.016 346.0118 303.0415 
1 1 1  -31   21    2 o  164.070   71.597  -0.0134   0.2039   0.2892   0.3622  -0.1537   0.2467  264.112  103.100  158.080   72.908 106.0318 126.2748 
1 1 1  -31   21    3 o  1025.07   42.306   4.9463   0.3990   5.3131   0.6812   4.7546   0.4924  1038.66   71.711  996.735   53.886 41.92365 89.70043 
1 1 1  -31   21    4 o  680.417   56.042   2.2240   0.3478   1.9918   0.6221   2.3295   0.4194  604.364  116.082  690.457   66.851 -86.09253 133.9556 
1 1 1  -31   21    5 o  297.773   98.198   0.4484   0.3122   1.0727   0.6037   0.2205   0.3648  432.063  136.059  254.980  102.206 177.0831 170.1704 
1 1 1  -31   21    6 o  621.573   69.898   1.8921   0.3928   1.9718   0.6844   1.8529   0.4798  595.040  128.730  604.183   88.960 -9.143188 156.4782 
1 1 1  -31   21    7 o  507.133   88.335   1.3088   0.3972   2.0927   0.7349   0.9852   0.4722  610.288  134.486  425.056  117.018 185.2323 178.2685 
1 1 1  -31   21    8 o  302.702  108.143   0.4382   0.3809   0.5490   0.6995   0.3915   0.4542  354.306  141.702  302.295  116.148 52.01099 183.2206 
1 1 1  -31   21    9 o  208.958   96.831  -0.2786   0.4428  -1.4430   0.7183   0.4348   0.5623  203.735  101.037  323.681  127.814 -119.9457 162.9263 
1 1 1  -31   21   10 o  338.929  114.487   0.5882   0.4240   1.2132   0.7869   0.3325   0.5033  456.186  155.961  300.065  120.130 156.1218 196.8632 
1 1 1  -31   21   11 o  248.415  113.403  -0.2113   0.5764   0.9358   0.8726  -1.0991   0.7677  418.020  160.895  229.628  111.953 188.3925 196.0120 
1 1 1  -31   21   12 o  948.626   68.552   4.3528   0.5944   4.9760   0.9997   4.0120   0.7392  975.315  113.516  894.156   91.115 81.15887 145.5605 
1 1 1  -31   21   13 o  392.647  140.422   0.8189   0.6424   1.0479   0.8001   0.4031   1.0779  432.360  156.447  378.873  164.997 53.48669 227.3759 
1 1 1  -31   23    1 o  412.374  195.357   1.6747   1.9786   0.0000   0.0000   1.6747   1.9786  ?   ?   412.374  195.357 0.000000 195.3566 
1 1 1  -31   23    2 o  414.676  174.052   1.3134   1.1220   1.0839   1.3862   1.7494   1.9108  395.555  178.705  428.762  199.529 -33.20718 267.8564 
1 1 1  -31   23    3 o  393.995   84.439   0.8214   0.2969   2.3457   1.5796   0.7656   0.3023  488.846  205.917  377.724   88.523 111.1216 224.1385 
1 1 1  -31   23    4 o  175.243   78.943  -0.0807   0.2682   0.1093   0.7600  -0.1077   0.2867  296.757  133.355  177.564   80.640 119.1936 155.8406 
1 1 1  -31   23    5 o  286.510  101.045   0.4162   0.3315   0.1684   0.7348   0.4796   0.3715  301.324  133.528  303.565  106.973 -2.241150 171.0929 
1 1 1  -31   23    6 o  368.816  101.799   0.7422   0.3568   0.8656   0.6636   0.6920   0.4232  384.631  141.971  353.150  114.197 31.48090 182.1995 
1 1 1  -31   23    7 o  323.837  107.212   0.5587   0.3720   0.3519   0.6743   0.6491   0.4461  316.851  134.062  345.056  117.427 -28.20462 178.2177 
1 1 1  -31   23    8 o  281.856  109.390   0.3419   0.4060   0.5733   0.7699   0.2527   0.4778  353.565  145.939  277.942  114.866 75.62305 185.7213 
1 1 1  -31   23    9 o  436.335  140.423   1.1321   0.6404   2.8916   2.0706   0.9459   0.6734  547.851  233.478  403.100  143.811 144.7510 274.2140 
1 1 1  -31   23   10 o  300.000  122.020   0.3401   0.5284   0.3994   0.6549   0.2295   0.8943  323.998  134.237  334.016  147.697 -10.01797 199.5842 
1 1 1  -30    0    1 o  377.979  165.573   1.0248   0.6007   1.0248   0.6007   1.0248   0.6007  377.979  165.573  377.979  165.573 0.000000 0.000000 
1 1 1  -30    0    2 o  211.914  135.529   0.1097   0.5921   0.1097   0.5921   0.1097   0.5921  211.914  135.529  211.914  135.529 -0.000000 0.000000 
1 1 1  -30    0    3 o  363.218  167.747   0.9738   0.6176   0.9738   0.6176   0.9738   0.6176  363.218  167.747  363.218  167.747 0.000000 0.000000 
1 1 1  -30    0    4 o  1822.63   72.056   15.695   1.2042   15.695   1.2042   15.695   1.2042  1822.63   72.056  1822.63   72.056 -0.000000 0.000000 
1 1 1  -30    0    5 o  246.594  144.469   0.3952   0.5500   0.3952   0.5500   0.3952   0.5500  246.594  144.469  246.594  144.469 0.000000 0.000000 
1 1 1  -30    0    6 o  827.291  104.559   3.4313   0.7614   3.4313   0.7614   3.4313   0.7614  827.291  104.559  827.291  104.559 0.000000 0.000000 
1 1 1  -30    0    7 o  200.366  130.051   0.0332   0.5720   0.0332   0.5720   0.0332   0.5720  200.366  130.051  200.366  130.051 0.000000 0.000000 
1 1 1  -30    0    8 o  189.412  125.170  -0.0644   0.5664  -0.0644   0.5664  -0.0644   0.5664  189.412  125.170  189.412  125.170 0.000000 0.000000 
1 1 1  -30    0    9 o  1044.92   88.386   5.2827   0.8358   5.2827   0.8358   5.2827   0.8358  1044.92   88.386  1044.92   88.386 -0.000000 0.000000 
1 1 1  -30    0   10 o  299.938  161.926   0.6664   0.6222   0.6664   0.6222   0.6664   0.6222  299.938  161.926  299.938  161.926 0.000000 0.000000 
1 1 1  -30    0   11 o  377.973  176.453   1.0553   0.6841   1.0553   0.6841   1.0553   0.6841  377.973  176.453  377.973  176.453 -0.000000 0.000000 
1 1 1  -30    0   12 o  862.027  105.667   3.6982   0.8044   3.6982   0.8044   3.6982   0.8044  862.027  105.667  862.027  105.667 -0.000000 0.000000 
1 1 1  -30    0   13 o  288.827  163.238   0.5907   0.6658   0.5907   0.6658   0.5907   0.6658  288.827  163.238  288.827  163.238 -0.000000 0.000000 
1 1 1  -30    0   14 o  2675.37   74.720   33.690   1.8362   33.690   1.8362   33.690   1.8362  2675.37   74.720  2675.37   74.720 -0.000000 0.000000 
1 1 1  -30    0   15 o  977.416  110.631   4.7586   0.9621   4.7586   0.9621   4.7586   0.9621  977.416  110.631  977.416  110.631 -0.000000 0.000000 
1 1 1  -30    0   16 o  222.827  144.388   0.0715   0.7011   0.0715   0.7011   0.0715   0.7011  222.827  144.388  222.827  144.388 0.000000 0.000000 
1 1 1  -30    0   17 o  1591.54  128.298   12.749   1.8508   12.749   1.8508   12.749   1.8508  1591.54  128.298  1591.54  128.298 -0.000000 0.000000 
1 1 1  -30    0   18 o  414.094  200.208   1.3880   0.8884   1.3880   0.8884   1.3880   0.8884  414.094  200.208  414.094  200.208 -0.000000 0.000000 
1 1 1  -30    0   19 o  973.234  126.475   4.9664   1.0798   4.9664   1.0798   4.9664   1.0798  973.234  126.475  973.234  126.475 -0.000000 0.000000 
1 1 1  -30    0   20 o  700.730  265.404   4.0817   1.6057   4.0817   1.6057   4.0817   1.6057  700.730  265.404  700.730  265.404 -0.000000 0.000000 
1 1 1  -30    0   21 o  574.577  207.394   2.4813   1.0051   2.4813   1.0051   2.4813   1.0051  574.577  207.394  574.577  207.394 -0.000000 0.000000 
1 1 1  -30    0   22 o  1201.50  114.027   7.6067   1.2346   7.6067   1.2346   7.6067   1.2346  1201.50  114.027  1201.50  114.027 -0.000000 0.000000 
1 1 1  -30    2    1 o  602.000   97.616   1.8084   0.5222   1.4939   0.8661   1.9881   0.6546  519.174  162.870  620.960  118.894 -101.7861 201.6495 
1 1 1  -30    2    2 o  453.054  121.267   1.0690   0.5155   0.7897   0.8702   1.2200   0.6399  418.384  160.765  478.959  137.798 -60.57495 211.7393 
1 1 1  -30    2    3 o  852.726   80.442   3.5047   0.6237   2.7519   1.0667   3.8959   0.7689  704.101  167.144  891.595   95.188 -187.4935 192.3479 
1 1 1  -30    2    4 o  1003.07   72.539   4.7932   0.6650   3.4588   1.1158   5.5283   0.8282  802.356  156.756  1071.09   84.719 -268.7295 178.1848 
1 1 1  -30    2    5 o  391.582  110.246   0.7754   0.4141   0.7724   0.6339   0.7776   0.5469  400.477  139.828  395.823  129.936 4.654327 190.8798 
1 1 1  -30    2    6 o  790.819   70.974   2.9741   0.5110   2.8795   0.7172   3.0715   0.7281  763.833  104.810  790.345  102.537 -26.51227 146.6252 
1 1 1  -30    2    7 o  229.306  100.669  -0.0679   0.4085   1.0832   0.6094  -1.0072   0.5505  459.402  135.141  190.548   93.306 268.8544 164.2226 
1 1 1  -30    2    8 o  837.034   68.206   3.3111   0.5208   4.2867   0.7794   2.5243   0.6999  944.052   90.841  714.636  109.966 229.4160 142.6350 
1 1 1  -30    2    9 o  565.788   93.283   1.5611   0.4687   1.0133   0.6337   2.2230   0.6965  449.280  139.050  668.058  117.603 -218.7781 182.1136 
1 1 1  -30    2   10 o  216.179   97.783  -0.2033   0.4165  -0.3328   0.5930  -0.0773   0.5851  251.855  114.994  275.847  120.803 -23.99191 166.7845 
1 1 1  -30    2   11 o  392.398  116.854   0.7545   0.4534   0.1233   0.6154   1.5040   0.6706  307.206  128.919  544.810  134.558 -237.6039 186.3488 
1 1 1  -30    2   12 o  805.999   77.275   3.0720   0.5661   3.9252   0.8398   2.3615   0.7664  903.293  102.870  690.099  125.303 213.1939 162.1208 
1 1 1  -30    2   13 o  966.322   69.777   4.3810   0.6163   4.4969   0.8634   4.2606   0.8799  970.126   98.064  942.200  103.181 27.92566 142.3474 
1 1 1  -30    2   14 o  1434.76   61.133   9.5749   0.8071   11.114   1.1871   8.2518   1.1006  1536.14   84.307  1320.31   91.147 215.8374 124.1587 
1 1 1  -30    2   15 o  2028.01   55.791   19.095   1.0411   19.468   1.4626   18.711   1.4823  2039.00   77.953  1997.75   80.638 41.24744 112.1570 
1 1 1  -30    2   16 o  825.176   94.517   3.2543   0.7047   4.2062   1.2892   2.8487   0.8416  911.745  159.471  760.962  124.498 150.7831 202.3140 
1 1 1  -30    2   17 o  815.146  100.100   3.1952   0.7350   3.4663   1.2315   3.0452   0.9161  819.982  168.844  783.559  131.735 36.42236 214.1556 
1 1 1  -30    2   18 o  335.020  135.562   0.2859   0.6484   0.8831   0.8001  -0.8563   1.1065  441.211  156.825  323.450  150.958 117.7613 217.6750 
1 1 1  -30    2   19 o  291.195  122.186   0.1094   0.5527   0.5747   0.8504  -0.2308   0.7272  402.504  157.735  292.744  131.077 109.7601 205.0891 
1 1 1  -30    2   20 o  341.463  128.330   0.4576   0.5471   0.9619   0.8164   0.0466   0.7370  450.190  158.582  320.834  138.071 129.3557 210.2659 
1 1 1  -30    2   21 o  689.128  140.494   2.4482   0.8607   2.4995   1.5122   2.4236   1.0468  661.871  216.007  671.069  169.476 -9.197937 274.5564 
1 1 1  -30    2   22 o  685.444  143.760   2.4439   0.8778   2.7804   1.2744   2.1402   1.2107  704.550  191.546  620.302  192.242 84.24744 271.3790 
1 1 1  -30    4    1 o  749.391   73.475   2.6978   0.5001   3.3958   0.7190   2.0432   0.6962  829.965   95.907  626.519  125.144 203.4460 157.6678 
1 1 1  -30    4    2 o  230.742  103.726  -0.1598   0.4603  -0.3736   0.5223   0.5835   0.9737  226.002  104.884  404.591  165.223 -178.5883 195.7024 
1 1 1  -30    4    3 o  483.915  119.749   1.2127   0.5303   0.7362   0.6050   2.7946   1.1022  390.084  136.573  707.419  171.178 -317.3355 218.9838 
1 1 1  -30    4    4 o  531.446   98.266   1.4081   0.4628   1.7998   0.6689   1.0481   0.6411  589.334  127.079  449.206  140.005 140.1275 189.0783 
1 1 1  -30    4    5 o  479.858  119.117   1.1825   0.5235   0.8025   0.9068   1.3725   0.6411  428.379  164.230  512.177  134.364 -83.79813 212.1916 
1 1 1  -30    4    6 o  805.080   80.915   3.1095   0.5913   3.6329   1.0348   2.8556   0.7205  840.306  138.662  760.328  105.862 79.97803 174.4534 
1 1 1  -30    4    7 f  946.336   74.135   4.2523   0.6404   3.6609   1.1151   4.5434   0.7823  839.045  149.928  972.157   88.416 -133.1121 174.0568 
1 1 1  -30    4    8 o  1143.72   59.640   6.1288   0.6255   6.2855   0.9040   5.9849   0.8663  1147.16   86.270  1120.00   84.689 27.15747 120.8912 
1 1 1  -30    4    9 o  902.442   67.631   3.8366   0.5575   4.3095   0.8203   3.4306   0.7600  946.186   95.528  841.372  100.137 104.8139 138.3946 
1 1 1  -30    4   10 o  1034.50   65.078   5.0197   0.6163   4.7330   0.8891   5.2850   0.8551  992.155   98.694  1052.98   89.094 -60.82391 132.9599 
1 1 1  -30    4   11 o  795.764   78.026   3.0007   0.5640   3.2335   0.7895   2.7581   0.8059  816.074  107.779  747.520  121.325 68.55347 162.2840 
1 1 1  -30    4   12 f  990.974   66.684   4.6024   0.6045   4.7151   0.8423   4.4827   0.8682  994.600   93.115  967.429   98.919 27.17139 135.8506 
1 1 1  -30    4   13 o  545.750  107.573   1.4637   0.5210   1.3451   0.7124   1.5999   0.7639  516.342  144.337  561.268  146.385 -44.92517 205.5765 
1 1 1  -30    4   14 o  586.060  100.248   1.6691   0.5212   2.1601   0.7249   1.1438   0.7498  660.758  123.774  481.808  151.615 178.9501 195.7224 
1 1 1  -30    4   15 o  1551.26   68.973   11.229   0.9845   11.712   1.7007   10.986   1.2074  1558.49  119.500  1526.03   86.342 32.46277 147.4286 
1 1 1  -30    4   16 f  1051.87   82.765   5.2275   0.7946   6.3373   1.4116   4.7126   0.9614  1134.03  138.126  989.553  107.304 144.4719 174.9087 
1 1 1  -30    4   17 o  868.947   96.974   3.6198   0.7622   3.4428   0.9151   4.0207   1.3770  837.437  122.369  879.408  176.302 -41.97107 214.6078 
1 1 1  -30    4   18 o  1065.47  107.529   5.4824   1.0398   5.4824   1.0398   0.0000   0.0000  1065.47  107.529  ?   ?  0.000000 107.5285 
1 1 1  -30    4   19 o  1343.18   69.090   8.4746   0.8510   7.8573   1.2148   9.0696   1.1926  1276.54  104.328  1377.46   94.667 -100.9236 140.8768 
1 1 1  -30    4   20 o  337.163  122.474   0.4815   0.4910   1.1181   0.8261   0.1337   0.6106  473.741  159.805  305.268  128.275 168.4734 204.9193 
1 1 1  -30    4   21 o  471.147  156.285   1.1244   0.7904   0.7878   1.5720   1.2383   0.9144  492.883  206.400  493.240  168.127 -0.3572693 266.2098 
1 1 1  -30    6    1 o  646.026   96.824   2.0711   0.5578   1.8315   0.6329   2.9057   1.1812  595.852  119.583  711.626  180.201 -115.7734 216.2696 
1 1 1  -30    6    2 o  564.496  110.004   1.6189   0.5509   1.8121   0.6534   1.1441   1.0243  591.126  124.075  474.840  176.161 116.2862 215.4698 
1 1 1  -30    6    3 o  322.935  120.861   0.4301   0.4842   1.1045   0.6083  -0.7371   0.8002  459.253  134.988  264.294  124.916 194.9591 183.9180 
1 1 1  -30    6    4 o  953.008   60.862   4.2823   0.5309   3.6482   0.7234   5.0228   0.7817  865.704   92.229  1021.68   83.890 -155.9772 124.6740 
1 1 1  -30    6    5 o  1485.78   52.130   10.304   0.7127   9.9368   0.9832   10.711   1.0345  1446.80   74.104  1503.46   74.782 -56.66113 105.2790 
1 1 1  -30    6    6 o  745.852   71.735   2.6476   0.4862   2.2888   0.6546   3.0891   0.7263  678.627  108.488  793.607  101.799 -114.9806 148.7706 
1 1 1  -30    6    7 o  1631.82   79.319   12.612   1.1910   14.463   1.7493   11.012   1.6261  1721.15  111.048  1494.38  119.247 226.7719 162.9467 
1 1 1  -30    6    8 o  690.451  123.533   2.3941   0.7560   2.1332   0.9967   2.7477   1.1602  631.758  168.394  713.090  177.510 -81.33185 244.6762 
1 1 1  -30    6    9 o  911.199   69.295   3.9139   0.5767   3.6048   0.7893   4.2679   0.8446  862.567  101.373  940.395   99.095 -77.82837 141.7614 
1 1 1  -30    6   10 o  1341.85   58.599   8.3886   0.7235   8.2118   1.0069   8.5775   1.0404  1316.77   83.532  1345.44   84.468 -28.67505 118.7964 
1 1 1  -30    6   11 o  492.584  106.453   1.2007   0.4684   0.8964   0.6240   1.5936   0.7090  429.872  138.642  559.907  138.406 -130.0351 195.9027 
1 1 1  -30    6   12 o  933.637   82.311   4.1283   0.6999   4.1571   0.8519   4.0685   1.2276  930.270  101.152  896.332  154.418 33.93756 184.5988 
1 1 1  -30    6   13 o  735.023   93.620   2.5914   0.6188   3.3808   0.7894   1.3328   0.9967  837.069  104.780  521.349  175.541 315.7197 204.4348 
1 1 1  -30    6   14 o  233.213  109.994  -0.6392   0.6145  -0.1525   0.9026  -1.0597   0.8390  337.059  148.746  259.373  124.086 77.68582 193.7078 
1 1 1  -30    6   15 f  432.676  136.133   0.9109   0.6046   1.3921   0.9851   0.6202   0.7657  529.423  174.423  400.358  151.519 129.0649 231.0438 
1 1 1  -30    6   16 o  1059.22   75.607   5.2826   0.7321   4.7050   0.9944   5.9660   1.0817  986.057  111.562  1113.78  106.854 -127.7191 154.4793 
1 1 1  -30    6   17 o  898.623   72.345   3.8053   0.5931   3.5386   0.9427   3.9800   0.7631  847.050  124.680  912.604   92.136 -65.55353 155.0290 
1 1 1  -30    6   18 o  1333.28   67.843   8.3397   0.8296   7.5662   1.1420   9.2038   1.2071  1255.78   99.650  1388.18   95.071 -132.4064 137.7266 
1 1 1  -30    6   19 o  564.103  120.848   1.6033   0.6084   2.7708   0.9589   0.8167   0.7871  733.599  147.174  426.426  155.041 307.1730 213.7711 
1 1 1  -30    6   20 o  938.648   77.164   4.1894   0.6606   4.2945   1.1111   4.1319   0.8215  921.251  135.079  923.033   98.236 -1.781921 167.0227 
1 1 1  -30    6   21 o  481.387  173.340   1.1421   0.9805   0.0000   0.0000   1.1421   0.9805  ?   ?   481.387  173.340 0.000000 173.3397 
1 1 1  -30    8    1 o  1079.02   57.767   5.4819   0.5715   5.5300   0.7913   5.4295   0.8262  1072.20   80.794  1059.65   85.465 12.55005 117.6093 
1 1 1  -30    8    2 o  420.885  109.563   0.9049   0.4285   0.8139   0.5930   1.0044   0.6197  403.516  135.405  439.862  137.735 -36.34509 193.1463 
1 1 1  -30    8    3 o  725.739   88.310   2.5632   0.5776   2.7807   0.6666   1.9082   1.1567  751.339   98.820  580.450  188.896 170.8890 213.1834 
1 1 1  -30    8    4 o  1232.98   67.780   7.1895   0.7660   7.5997   0.8897   6.0143   1.5060  1262.89   76.933  1065.93  158.358 196.9565 176.0564 
1 1 1  -30    8    5 o  1058.00   73.934   5.3187   0.7152   5.9961   0.8547   3.7357   1.3065  1118.81   83.627  825.569  177.282 293.2371 196.0164 
1 1 1  -30    8    6 o  332.320  115.130   0.5034   0.4294   0.6232   0.6257   0.3967   0.5903  377.026  138.054  336.453  131.537 40.57376 190.6855 
1 1 1  -30    8    7 o  694.213   79.406   2.3073   0.4981   3.5442   0.7475   1.3192   0.6681  855.055   96.701  505.125  139.249 349.9301 169.5324 
1 1 1  -30    8    8 o  756.922   84.982   2.7466   0.5817   2.1174   0.7250   3.8834   0.9745  647.736  126.173  884.170  123.119 -236.4341 176.2893 
1 1 1  -30    8    9 o  488.242  138.994   1.2144   0.6544   3.2395   1.1275   0.1856   0.8037  788.876  160.781  348.801  146.899 440.0753 217.7836 
1 1 1  -30    8   10 o  309.803  114.709   0.3768   0.4339   0.7466   0.5940  -0.0462   0.6354  399.330  135.508  290.993  126.702 108.3370 185.5151 
1 1 1  -30    8   11 o  307.320  123.659   0.2448   0.5362  -0.1246   0.6346   1.1671   1.0027  282.912  124.794  496.178  175.645 -213.2659 215.4642 
1 1 1  -30    8   12 o  1096.06   79.750   5.6731   0.7988   5.5587   0.9350   5.9821   1.5369  1079.08   95.142  1087.00  158.303 -7.910767 184.6939 
1 1 1  -30    8   13 o  740.833  124.204   2.7136   0.8167   4.7113   1.1856   0.9095   1.1267  975.128  135.821  476.023  182.924 499.1049 227.8345 
1 1 1  -30    8   14 o  901.153   85.872   3.8587   0.7034   4.3085   1.1830   3.6127   0.8749  928.357  143.085  861.796  113.059 66.56079 182.3610 
1 1 1  -30    8   15 o  990.560   65.926   4.5995   0.5975   4.1545   0.9208   4.9231   0.7852  925.859  110.245  1019.05   84.503 -93.18951 138.9057 
1 1 1  -30    8   16 o  1759.27   53.301   14.382   0.8628   15.238   1.4165   13.877   1.0880  1796.87   85.670  1722.48   68.644 74.39209 109.7786 
1 1 1  -30    8   17 o  433.914  126.087   0.9405   0.5334   0.9911   0.8124   0.9022   0.7072  456.495  158.350  434.949  147.856 21.54590 216.6479 
1 1 1  -30    8   18 o  1340.03   63.137   8.3965   0.7785   10.421   1.2967   7.2555   0.9735  1474.60   96.090  1234.38   86.247 240.2183 129.1200 
1 1 1  -30    8   19 o  1114.96   78.027   5.9030   0.7955   5.9623   1.1390   5.8466   1.1114  1101.62  114.012  1091.86  112.222 9.764160 159.9770 
1 1 1  -30    8   20 o  316.547  122.007   0.3639   0.5023   1.0027   0.8595   0.0327   0.6190  454.781  162.447  293.340  126.387 161.4414 205.8215 
1 1 1  -30   10    1 o  1012.16   58.895   4.8292   0.5462   4.3689   0.7465   5.3593   0.8011  949.525   86.384  1054.15   83.271 -104.6241 119.9843 
1 1 1  -30   10    2 o  1529.69   50.984   10.930   0.7176   9.8916   0.9590   12.251   1.0818  1444.39   72.157  1606.78   73.168 -162.3922 102.7633 
1 1 1  -30   10    3 o  888.966   69.027   3.7530   0.5602   2.9902   0.6957   5.1602   0.9449  779.865   99.187  1025.88  101.424 -246.0098 141.8627 
1 1 1  -30   10    4 o  1147.36   61.444   6.1945   0.6463   5.3262   0.7881   7.9781   1.1296  1054.53   81.862  1282.49   96.424 -227.9629 126.4869 
1 1 1  -30   10    5 o  654.072   81.155   2.0609   0.4779   2.0748   0.6682   2.0464   0.6839  641.445  117.547  635.192  121.428 6.253174 169.0032 
1 1 1  -30   10    6 o  1021.76   76.231   4.9604   0.7116   5.4381   0.8565   3.8957   1.2785  1064.49   88.233  854.154  168.655 210.3349 190.3409 
1 1 1  -30   10    7 o  1072.65   62.452   5.4029   0.6137   6.2883   0.8748   4.5447   0.8613  1148.69   83.329  969.061   97.936 179.6239 128.5896 
1 1 1  -30   10    8 f  312.089  113.956   0.4004   0.4259  -0.3054   0.5846   1.1984   0.6216  251.532  114.588  484.282  134.631 -232.7506 176.7928 
1 1 1  -30   10    9 o  1143.07   60.475   6.1151   0.6338   5.2399   0.8558   7.1784   0.9433  1047.11   89.689  1229.41   83.883 -182.2899 122.8023 
1 1 1  -30   10   10 o  742.350   95.367   2.6606   0.6364   4.2318   1.2759   2.1403   0.7342  907.114  158.633  652.999  126.765 254.1147 203.0611 
1 1 1  -30   10   11 o  554.309  121.089   1.5406   0.6003   3.1805   1.0574   0.7605   0.7293  788.709  151.201  414.543  149.465 374.1656 212.6065 
1 1 1  -30   10   12 o  1511.57   67.165   10.681   0.9342   7.9386   1.3743   13.038   1.2737  1277.45  118.255  1660.83   83.615 -383.3826 144.8298 
1 1 1  -30   10   13 f  595.426   83.551   1.7013   0.4452   1.0838   0.7063   2.1082   0.5734  467.009  147.178  659.584   97.403 -192.5752 176.4901 
1 1 1  -30   10   14 o  219.296   96.281  -0.0753   0.3737   0.5318   0.6422  -0.3862   0.4596  368.967  138.971  210.475   97.915 158.4921 170.0010 
1 1 1  -30   10   15 f  315.471  115.942   0.3994   0.4419   0.6005   0.7639   0.2983   0.5417  394.843  150.887  316.008  125.237 78.83450 196.0901 
1 1 1  -30   10   16 o  907.615   97.777   3.9717   0.8037   3.2459   0.9568   5.7112   1.4813  803.512  134.134  1056.05  157.232 -252.5330 206.6738 
1 1 1  -30   10   17 o  359.856  144.165   0.3968   0.7254   0.4562   0.8253   0.1950   1.5208  382.138  153.533  448.055  195.529 -65.91644 248.6040 
1 1 1  -30   10   18 o  602.404  140.602   1.8834   0.7652   1.6993   0.8884   2.4122   1.5058  565.232  162.287  651.102  215.698 -85.87036 269.9307 
1 1 1  -30   10   19 o  744.677  100.327   2.7205   0.6700   2.8444   1.0020   2.6204   0.9010  733.608  153.377  709.248  142.988 24.35986 209.6905 
1 1 1  -30   10   20 o  267.759  115.593   0.0115   0.5199   0.5436   0.8198  -0.3465   0.6724  386.952  153.842  266.514  121.977 120.4378 196.3309 
1 1 1  -30   12    1 f  685.171   70.170   2.2479   0.4362   2.4117   0.6244   2.0918   0.6095  696.465  100.323  644.884  106.432 51.58063 146.2615 
1 1 1  -30   12    2 o  994.883   59.564   4.6657   0.5428   4.8446   0.7670   4.4862   0.7682  1002.23   83.941  962.193   87.731 40.04144 121.4201 
1 1 1  -30   12    3 o  602.631   86.756   1.7723   0.4672   1.0966   0.6458   2.5144   0.6767  458.671  140.117  710.387  106.837 -251.7160 176.2012 
1 1 1  -30   12    4 o  690.703   75.722   2.2865   0.4734   1.8073   0.6438   2.8503   0.6984  594.636  121.766  760.399  102.415 -165.7631 159.1098 
1 1 1  -30   12    5 o  306.671  112.025   0.3929   0.4116   0.3330   0.6002   0.4461   0.5656  328.083  131.247  339.796  129.831 -11.71295 184.6128 
1 1 1  -30   12    6 o  766.949   71.981   2.7959   0.5020   2.5859   0.6954   3.0246   0.7256  723.247  107.780  785.474  102.859 -62.22705 148.9848 
1 1 1  -30   12    7 f  1047.48   76.405   5.2076   0.7314   6.5492   0.9010   2.6157   1.2523  1171.61   84.132  686.089  191.214 485.5184 208.9046 
1 1 1  -30   12    8 o  620.604  100.520   1.8901   0.5544   0.9135   0.8083   2.7574   0.7618  441.382  157.549  746.032  114.641 -304.6499 194.8444 
1 1 1  -30   12    9 o  222.737  101.988  -0.2875   0.4708   0.4308   0.7352  -0.7867   0.6129  366.001  145.636  220.986  105.810 145.0147 180.0154 
1 1 1  -30   12   10 o  1317.81   90.337   8.2873   1.0888   0.0000   0.0000   8.2873   1.0888  ?   ?   1317.81   90.337 0.000000 90.33731 
1 1 1  -30   12   11 o  781.736   65.350   2.8778   0.4658   2.2041   0.7575   3.2874   0.5906  661.163  129.143  831.961   78.062 -170.7974 150.9022 
1 1 1  -30   12   12 o  1367.66   53.311   8.7013   0.6709   9.7450   1.1382   8.1456   0.8305  1432.06   86.788  1316.78   68.782 115.2794 110.7394 
1 1 1  -30   12   13 o  603.252   86.143   1.7544   0.4646   1.9801   0.7629   1.6214   0.5857  622.950  136.839  569.766  115.669 53.18414 179.1766 
1 1 1  -30   12   14 o  550.322  105.531   1.4988   0.5150   1.5617   0.8145   1.4568   0.6647  547.789  154.754  533.405  135.232 14.38379 205.5150 
1 1 1  -30   12   15 o  184.682   88.973  -0.6514   0.4489  -0.5146   0.7152  -0.7403   0.5766  265.049  122.909  214.552  102.701 50.49695 160.1692 
1 1 1  -30   12   16 o  437.633  115.667   0.9673   0.4728   1.3997   0.7971   0.7326   0.5873  517.809  155.113  393.391  134.735 124.4184 205.4591 
1 1 1  -30   12   17 o  385.942  123.697   0.7321   0.4973   0.2508   0.8472   0.9851   0.6143  359.323  151.052  440.578  136.999 -81.25409 203.9251 
1 1 1  -30   12   18 o  178.001   86.857  -0.8085   0.4649  -0.3282   0.7564  -1.1001   0.5893  286.374  130.412  195.209   95.784 91.16505 161.8083 
1 1 1  -30   12   19 o  334.732  127.799   0.4408   0.5477   0.6926   0.9533   0.3167   0.6692  418.372  166.035  335.647  137.013 82.72583 215.2678 
1 1 1  -30   14    1 o  253.492  102.706   0.1686   0.3727  -0.0983   0.5923   0.3434   0.4795  269.007  119.515  305.061  118.748 -36.05368 168.4781 
1 1 1  -30   14    2 o  491.463  100.003   1.2181   0.4369   1.0375   0.6557   1.3622   0.5858  444.805  141.975  509.762  125.687 -64.95694 189.6158 
1 1 1  -30   14    3 f  324.722  115.187   0.4771   0.4314   0.1644   0.6365   0.7428   0.5868  309.741  130.608  390.128  134.624 -80.38644 187.5688 
1 1 1  -30   14    4 o  1361.35   55.073   8.6733   0.6899   8.1575   1.0363   9.0839   0.9246  1301.36   87.041  1382.69   72.926 -81.32690 113.5529 
1 1 1  -30   14    5 o  596.332   88.008   1.7356   0.4684   1.5125   0.7142   1.9040   0.6205  535.119  142.498  614.184  113.995 -79.06488 182.4841 
1 1 1  -30   14    6 o  907.348   70.883   3.9068   0.5871   3.8153   0.8804   3.9800   0.7878  877.471  111.566  904.592   96.123 -27.12170 147.2642 
1 1 1  -30   14    7 o  251.065  106.313   0.0566   0.4246  -0.2613   0.6726   0.2673   0.5475  275.088  124.361  309.549  124.813 -34.46091 176.1930 
1 1 1  -30   14    8 f  552.878   91.189   1.4950   0.4477   1.3667   0.6953   1.5859   0.5852  512.392  142.368  560.166  117.296 -47.77399 184.4648 
1 1 1  -30   14    9 f  1097.73   52.789   5.6146   0.5332   5.3642   0.8775   5.7612   0.6714  1056.43   91.161  1106.11   66.271 -49.68445 112.7033 
1 1 1  -30   14   10 o  614.368   78.637   1.8109   0.4344   1.9916   0.7639   1.7245   0.5280  621.927  137.161  591.865  100.552 30.06226 170.0703 
1 1 1  -30   14   11 o  423.110  135.385   0.8880   0.5959  -0.4418   1.0662   1.4921   0.7187  338.579  154.438  536.029  143.045 -197.4503 210.5063 
1 1 1  -30   14   12 o  453.101  104.346   1.0265   0.4261   1.2134   0.7038   0.9184   0.5353  485.657  145.805  427.118  126.922 58.53827 193.3091 
1 1 1  -30   14   13 o  556.203   97.909   1.5233   0.4828   1.7499   0.7787   1.3818   0.6153  578.511  146.213  518.947  129.327 59.56317 195.2019 
1 1 1  -30   14   14 o  569.044  100.522   1.6004   0.5071   0.6489   0.7237   2.5181   0.7107  392.474  147.584  711.812  112.232 -319.3380 185.4104 
1 1 1  -30   14   15 o  524.228  106.874   1.3780   0.4981   3.0476   0.8838   0.6011   0.6029  774.795  128.470  370.379  135.534 404.4164 186.7462 
1 1 1  -30   14   16 o  289.133  116.836   0.2254   0.4809   0.1238   0.7943   0.2842   0.6042  335.506  143.835  321.210  130.549 14.29620 194.2461 
1 1 1  -30   14   17 o  414.228  125.390   0.8771   0.5189   1.4134   0.8718   0.5828   0.6458  512.062  163.736  369.754  139.339 142.3084 214.9997 
1 1 1  -30   14   18 o  512.393  122.228   1.3636   0.5682   3.4752   0.9697   0.2594   0.7012  818.739  133.303  332.331  138.396 486.4081 192.1536 
1 1 1  -30   14   19 o  484.301  175.542   1.2292   1.0079   0.0000   0.0000   1.2292   1.0079  ?   ?   484.301  175.542 0.000000 175.5416 
1 1 1  -30   16    1 o  664.686   68.504   2.1259   0.4130   2.0208   0.5722   2.2402   0.5967  631.807  101.887  666.685  100.374 -34.87756 143.0241 
1 1 1  -30   16    2 o  188.642   86.279  -0.1919   0.3356  -0.3389   0.4543  -0.0151   0.4980  209.532   97.434  256.138  111.832 -46.60614 148.3232 
1 1 1  -30   16    3 o  478.530   91.042   1.1434   0.3862   1.5173   0.5168   0.6701   0.5814  546.079  106.667  374.386  133.614 171.6932 170.9692 
1 1 1  -30   16    4 o  429.798  124.332   0.9600   0.5197   0.5940   0.5487   4.1538   1.6210  359.109  129.616  824.708  212.333 -465.5993 248.7684 
1 1 1  -30   16    5 o  537.823   87.939   1.4234   0.4202   1.2550   0.5638   1.6336   0.6301  490.768  124.621  560.643  125.286 -69.87442 176.7113 
1 1 1  -30   16    6 o  573.285   68.056   1.5721   0.3520   1.2420   0.6163   1.7320   0.4288  486.642  133.575  597.987   79.933 -111.3454 155.6646 
1 1 1  -30   16    7 o  468.718   85.286   1.0802   0.3543   1.3368   0.6143   0.9523   0.4337  506.235  130.907  432.850  108.960 73.38538 170.3197 
1 1 1  -30   16    8 o  433.999  107.369   0.9541   0.4264   1.3160   0.6611   0.6963   0.5580  500.928  138.698  381.535  131.301 119.3930 190.9898 
1 1 1  -30   16    9 o  223.327   96.121  -0.0008   0.3573  -0.3681   0.6004   0.2006   0.4446  247.949  114.133  277.616  112.283 -29.66672 160.1061 
1 1 1  -30   16   10 o  709.798   73.032   2.4051   0.4702   3.1556   0.8098   2.0233   0.5775  795.392  113.895  639.641  101.511 155.7512 152.5663 
1 1 1  -30   16   11 o  874.050  116.522   3.8146   0.9138   1.9521   1.4502   5.0411   1.1769  590.320  210.990  996.412  131.575 -406.0916 248.6538 
1 1 1  -30   16   12 o  953.034   67.130   4.2984   0.5849   3.6727   0.8971   4.7612   0.7715  856.789  116.837  995.097   85.072 -138.3087 144.5271 
1 1 1  -30   16   13 o  996.443   65.117   4.6928   0.5938   4.7750   0.9693   4.6435   0.7512  982.362  109.070  982.666   83.885 -0.3043823 137.5971 
1 1 1  -30   16   14 o  316.965  117.033   0.4218   0.4510   1.2283   0.7918   0.0343   0.5488  482.234  156.237  276.495  119.066 205.7391 196.4351 
1 1 1  -30   16   15 o  632.216   93.393   1.9702   0.5270   1.9744   0.8881   1.9680   0.6547  599.858  158.507  619.692  119.136 -19.83423 198.2870 
1 1 1  -30   16   16 o  343.203  125.285   0.5271   0.5147  -0.0324   0.8650   0.8339   0.6404  328.514  145.260  407.962  140.652 -79.44788 202.1963 
1 1 1  -30   16   17 o  522.734  107.787   1.3959   0.5012   1.9999   0.7075   0.7874   0.7102  616.832  128.816  403.625  147.190 213.2073 195.5974 
1 1 1  -30   16   18 o  513.527  158.984   1.4636   0.8283   1.1768   1.0531   1.9290   1.3414  474.936  178.135  567.828  202.923 -92.89163 270.0178 
1 1 1  -30   18    1 o  975.793   50.855   4.4972   0.4550   4.7434   0.6154   4.2001   0.6760  992.397   67.792  925.390   80.178 67.00623 104.9963 
1 1 1  -30   18    2 o  664.136   69.193   2.1321   0.4166   2.6367   0.5809   1.5978   0.5979  728.789   88.442  547.040  121.889 181.7485 150.5955 
1 1 1  -30   18    3 o  352.315   87.578   0.6284   0.2827   1.1391   0.5150   0.4082   0.3382  463.148  119.904  295.026  102.181 168.1213 157.5370 
1 1 1  -30   18    4 o  995.705   46.756   4.6364   0.4284   4.7672   0.7121   4.5622   0.5363  992.442   78.627  981.072   59.686 11.37036 98.71442 
1 1 1  -30   18    5 o  200.543   86.057   0.0084   0.2848   0.0585   0.4852  -0.0179   0.3518  262.596  112.491  217.209   94.429 45.38680 146.8710 
1 1 1  -30   18    6 o  812.324   58.535   3.1219   0.4346   2.8937   0.7183   3.2537   0.5458  759.025  105.720  823.302   72.801 -64.27747 128.3620 
1 1 1  -30   18    7 o  500.423   86.411   1.2382   0.3835   1.2698   0.6644   1.2223   0.4697  486.491  140.538  488.893  107.340 -2.402283 176.8418 
1 1 1  -30   18    8 o  803.671   65.964   3.0738   0.4835   3.3122   0.8030   2.9382   0.6056  811.465  110.406  776.635   86.197 34.83069 140.0691 
1 1 1  -30   18    9 o  622.125   96.417   1.9220   0.5341   1.2836   0.7363   2.6309   0.7759  488.190  149.688  715.492  122.242 -227.3015 193.2608 
1 1 1  -30   18   10 o  294.204  109.338   0.3560   0.3949   0.4561   0.7104   0.3112   0.4751  357.507  142.865  299.774  117.773 57.73352 185.1507 
1 1 1  -30   18   11 o  625.399  138.632   2.0823   0.7768   1.4521   1.4138   2.3548   0.9298  522.864  203.803  654.701  156.466 -131.8373 256.9380 
1 1 1  -30   18   12 o  422.366  118.775   0.9255   0.4809   0.5036   0.8333   1.1363   0.5889  378.175  153.452  463.416  131.827 -85.24149 202.3011 
1 1 1  -30   18   13 o  421.772  116.488   0.9238   0.4670   1.3589   0.7975   0.6967   0.5761  497.583  156.321  378.368  133.228 119.2141 205.3919 
1 1 1  -30   18   14 o  826.752   72.774   3.2858   0.5480   3.5040   0.9396   3.1733   0.6746  818.970  128.953  801.628   93.190 17.34186 159.1017 
1 1 1  -30   18   15 o  1177.24   62.050   6.5752   0.6698   7.1270   0.9897   6.1090   0.9098  1206.24   89.813  1116.77   89.278 89.47571 126.6366 
1 1 1  -30   18   16 o  915.769   67.925   4.0139   0.5683   4.7193   0.8229   3.3708   0.7858  977.752   92.569  815.696  107.290 162.0560 141.7044 
1 1 1  -30   18   17 o  398.141  147.871   0.7733   0.7221   1.3990   0.9912   0.0656   1.0542  496.153  174.744  359.256  159.534 136.8977 236.6147 
1 1 1  -30   20    1 o  532.484   52.495   1.3583   0.2539   1.2494   0.3684   1.4568   0.3503  495.927   83.717  542.631   71.931 -46.70407 110.3742 
1 1 1  -30   20    2 o  1151.71   36.278   6.1895   0.3845   7.2776   0.6572   5.6235   0.4740  1235.57   57.807  1092.51   47.153 143.0602 74.59892 
1 1 1  -30   20    3 f  919.808   41.496   3.9599   0.3512   4.7909   0.6223   3.5715   0.4255  995.307   68.362  867.121   53.584 128.1852 86.86009 
1 1 1  -30   20    4 o  833.348   47.905   3.2745   0.3658   2.8831   0.6308   3.4728   0.4490  757.402   92.427  853.812   57.485 -96.40973 108.8454 
1 1 1  -30   20    5 o  684.597   57.318   2.2339   0.3577   2.3168   0.6492   2.1977   0.4287  668.718  109.279  673.238   70.239 -4.520630 129.9055 
1 1 1  -30   20    6 o  212.266   90.410   0.0378   0.3102   0.1953   0.5931  -0.0215   0.3639  299.045  126.083  218.708   95.539 80.33688 158.1919 
1 1 1  -30   20    7 o  602.805   70.418   1.7614   0.3832   2.4866   0.7146   1.4685   0.4541  690.546  116.608  538.685   95.080 151.8607 150.4581 
1 1 1  -30   20    8 o  281.822  105.130   0.3329   0.3658   0.5371   0.6523   0.2393   0.4418  355.260  138.444  278.215  112.140 77.04498 178.1633 
1 1 1  -30   20    9 o  343.634  115.722   0.5880   0.4332   0.8360   0.7124   0.4426   0.5456  405.403  147.489  328.179  126.969 77.22433 194.6126 
1 1 1  -30   20   10 o  535.324   93.078   1.4431   0.4418   2.8666   0.8322   0.8844   0.5214  735.426  127.608  408.462  126.085 326.9642 179.3914 
1 1 1  -30   20   11 o  537.728  130.375   1.5668   0.6384   1.4608   0.9043   1.6721   0.9014  502.345  167.190  534.923  165.893 -32.57776 235.5271 
1 1 1  -30   20   12 o  382.658  108.781   0.7639   0.4011   1.2633   0.5818   0.3113   0.5539  482.420  128.683  308.498  125.131 173.9220 179.4910 
1 1 1  -30   20   13 o  427.010  116.482   0.9692   0.4704   0.5663   0.6017   1.6025   0.7543  352.994  134.141  531.542  148.497 -178.5482 200.1128 
1 1 1  -30   20   14 o  386.587  115.696   0.7875   0.4436  -0.1974   0.6054   1.9301   0.6520  258.276  117.251  601.937  121.900 -343.6607 169.1369 
1 1 1  -30   20   15 f  407.893  160.093   0.8035   0.8772   0.8035   0.8772   0.0000   0.0000  407.893  160.093  ?   ?  0.000000 160.0926 
1 1 1  -30   22    2 o  326.612   82.795   0.5578   0.2492   1.2658   1.4368   0.5358   0.2530  434.745  189.879  319.532   84.683 115.2126 207.9067 
1 1 1  -30   22    3 o  313.679   89.264   0.5157   0.2700  -0.1354   1.4278   0.5399   0.2749  357.362  168.277  320.548   89.685 36.81427 190.6844 
1 1 1  -30   22    4 o  699.343   52.944   2.3400   0.3382   3.0796   0.7008   2.1155   0.3861  766.287  101.913  658.662   64.535 107.6244 120.6281 
1 1 1  -30   22    5 o  531.192   73.243   1.4004   0.3485   1.4706   0.6081   1.3660   0.4252  508.275  129.614  513.356   93.463 -5.081146 159.7975 
1 1 1  -30   22    6 o  588.135   70.371   1.6998   0.3733   2.0259   0.6645   1.5495   0.4512  606.587  123.258  548.893   92.626 57.69476 154.1822 
1 1 1  -30   22    7 o  311.333  102.715   0.4934   0.3416   0.2922   0.6305   0.5770   0.4064  311.061  130.512  333.826  112.092 -22.76492 172.0408 
1 1 1  -30   22    8 o  317.894  106.715   0.5133   0.3683   0.0451   0.6970   0.6948   0.4339  294.687  130.344  361.097  115.519 -66.40964 174.1669 
1 1 1  -30   22    9 o  580.347   99.934   1.7469   0.5144   1.8482   0.8068   1.6775   0.6678  556.986  152.804  544.695  134.121 12.29089 203.3165 
1 1 1  -30   22   10 o  535.369   83.140   1.4402   0.3963   1.9658   0.5849   0.9943   0.5388  611.079  107.977  422.968  127.705 188.1102 167.2352 
1 1 1  -30   22   11 o  197.031   90.629  -0.2111   0.3776  -0.2378   0.5180  -0.1809   0.5517  231.730  106.424  245.000  111.498 -13.27014 154.1360 
1 1 1  -30   22   12 o  602.649   79.698   1.8062   0.4311   1.5985   0.6032   2.0232   0.6164  539.075  124.156  616.950  112.740 -77.87512 167.7048 
1 1 1  -30   22   13 o  577.916  234.613   2.7379   1.9488   2.7379   1.9488   0.0000   0.0000  577.916  234.613  ?   ?  0.000000 234.6129 
1 1 1  -30   24    1 o  366.930  165.936   0.8651   1.1986  -0.4487   1.5519   2.8073   1.8869  320.514  156.888  462.812  208.847 -142.2978 261.2101 
1 1 1  -30   24    2 o  406.494  176.609   1.2901   1.2292   2.4542   1.6158  -0.3087   1.8937  475.342  204.500  348.586  171.176 126.7568 266.6862 
1 1 1  -30   24    3 o  189.852   78.773   0.0847   0.2260  -0.8704   1.5547   0.1053   0.2284  318.019  155.950  195.025   79.877 122.9943 175.2159 
1 1 1  -30   24    4 o  506.277   77.093   1.3132   0.3478   1.2357   1.7497   1.3164   0.3549  418.470  193.414  505.784   78.822 -87.31323 208.8588 
1 1 1  -30   24    5 o  527.538   79.752   1.4273   0.3751   1.3571   1.8036   1.4304   0.3834  432.049  198.486  526.812   81.748 -94.76300 214.6611 
1 1 1  -30   24    6 o  923.443   61.384   4.1563   0.5186   3.5566   1.9213   4.2035   0.5386  575.030  233.122  926.839   63.538 -351.8091 241.6256 
1 1 1  -30   24    7 o  722.337   72.203   2.5977   0.4735   3.1122   1.1865   2.5002   0.5164  655.882  187.304  701.443   81.524 -45.56116 204.2769 
1 1 1  -30   24    8 o  208.162   91.618  -0.0141   0.3402  -0.2438   0.5229   0.1546   0.4481  227.897  105.472  257.235  109.086 -29.33853 151.7371 
1 1 1  -30   24    9 o  596.897  239.708   3.6732   2.0107   3.6732   2.0107   0.0000   0.0000  596.897  239.708  ?   ?  0.000000 239.7075 
1 1 1  -30   24   10 o  422.292  192.523   0.8347   1.6542   0.8347   1.6542   0.0000   0.0000  422.292  192.523  ?   ?  0.000000 192.5232 
1 1 1  -29    1    1 o  272.144  111.119   0.1932   0.4403   0.3215   0.7386   0.1225   0.5484  341.760  142.158  284.466  120.659 57.29416 186.4599 
1 1 1  -29    1    2 o  1033.78   67.889   5.0933   0.6422   4.8479   1.1073   5.2177   0.7883  968.098  127.395  1037.45   83.283 -69.35217 152.2026 
1 1 1  -29    1    3 o  344.468  132.118   0.4848   0.5870  -0.2027   0.7833   1.3660   0.8867  298.637  134.678  499.048  165.533 -200.4113 213.3999 
1 1 1  -29    1    4 o  441.695  118.784   1.0111   0.4933   1.7998   0.9328   0.7050   0.5812  567.378  167.279  381.950  133.854 185.4289 214.2406 
1 1 1  -29    1    5 o  799.651   67.054   3.0402   0.4888   3.3011   0.7218   2.8191   0.6644  819.289   97.669  756.352   97.751 62.93646 138.1833 
1 1 1  -29    1    6 o  1862.94   49.116   16.184   0.8419   15.097   1.1643   17.376   1.2189  1786.38   70.832  1917.78   69.074 -131.4047 98.93684 
1 1 1  -29    1    7 o  635.906   78.101   1.9461   0.4474   1.9553   0.6541   1.9380   0.6133  620.688  118.851  621.237  111.381 -0.5489502 162.8837 
1 1 1  -29    1    8 o  1305.37   54.640   7.9555   0.6563   7.5708   0.9079   8.3767   0.9499  1261.43   78.605  1327.36   78.117 -65.92468 110.8194 
1 1 1  -29    1    9 o  709.153   76.525   2.4007   0.4914   2.2337   0.6948   2.5680   0.6952  668.021  117.307  721.455  108.053 -53.43372 159.4880 
1 1 1  -29    1   10 o  954.603   62.606   4.2787   0.5469   3.8568   0.7536   4.7480   0.7948  895.281   92.831  996.519   87.567 -101.2380 127.6151 
1 1 1  -29    1   11 o  355.257  114.463   0.6004   0.4254   0.5850   0.5912   0.6170   0.6126  370.140  134.405  378.113  136.883 -7.973511 191.8378 
1 1 1  -29    1   12 o  484.329  107.667   1.1627   0.4674   1.0832   0.6464   1.2498   0.6766  465.629  139.725  497.100  141.267 -31.47156 198.6944 
1 1 1  -29    1   13 o  1850.15   54.280   15.895   0.9241   15.370   1.2925   16.443   1.3216  1810.71   77.577  1873.29   76.672 -62.58582 109.0724 
1 1 1  -29    1   14 o  1538.62   59.000   11.004   0.8353   11.254   1.1646   10.739   1.1987  1546.62   82.130  1508.78   86.709 37.84766 119.4308 
1 1 1  -29    1   15 f  1360.13   61.406   8.6035   0.7685   8.1052   1.0692   9.1362   1.1055  1309.56   89.258  1391.69   86.757 -82.13159 124.4745 
1 1 1  -29    1   16 o  695.779   90.311   2.3146   0.5646   2.2996   0.7910   2.3303   0.8061  680.280  131.113  684.301  132.805 -4.021118 186.6219 
1 1 1  -29    1   17 o  1008.94   84.229   4.8130   0.7748   6.3176   1.4487   4.2102   0.9170  1131.06  142.352  934.766  108.637 196.2944 179.0695 
1 1 1  -29    1   18 o  1692.99   73.139   13.410   1.1394   14.585   1.4798   11.700   1.7856  1754.92   91.959  1551.67  126.150 203.2484 156.1096 
1 1 1  -29    1   19 o  312.734  127.594   0.2207   0.5800   1.5110   0.8755  -0.7887   0.7743  542.643  162.555  260.727  123.122 281.9160 203.9194 
1 1 1  -29    1   20 o  1399.84   83.561   9.2893   1.0714   8.2040   1.2759   11.885   1.9733  1302.74  107.392  1544.50  140.380 -241.7614 176.7476 
1 1 1  -29    1   21 o  933.317  107.550   4.2561   0.9067   5.4326   1.6256   3.7246   1.0925  1006.49  182.228  853.110  144.319 153.3819 232.4545 
1 1 1  -29    1   22 o  862.403   81.809   3.5589   0.6414   5.5279   0.8916   1.4466   0.9235  1071.69   91.284  524.072  168.623 547.6218 191.7456 
1 1 1  -29    3    1 o  396.769  108.308   0.8119   0.4065   0.3076   0.5602   1.3727   0.5908  312.100  126.107  508.407  126.727 -196.3066 178.7811 
1 1 1  -29    3    2 o  1404.88   52.353   9.2524   0.6768   8.6217   0.9322   9.9553   0.9841  1340.65   75.878  1441.97   74.424 -101.3231 106.2844 
1 1 1  -29    3    3 o  672.534   78.411   2.1905   0.4761   2.2261   0.6638   2.1528   0.6833  661.176  113.179  646.687  119.223 14.48846 164.3885 
1 1 1  -29    3    4 o  574.241   88.072   1.6217   0.4505   1.4440   0.6232   1.8162   0.6520  523.611  129.958  591.620  123.750 -68.00952 179.4523 
1 1 1  -29    3    5 o  576.388  100.517   1.6584   0.5137   2.5871   0.9741   1.3006   0.6046  690.324  156.911  497.959  130.413 192.3652 204.0309 
1 1 1  -29    3    6 o  330.161  120.013   0.4746   0.4716   0.5773   0.8225   0.4242   0.5756  390.385  154.448  336.297  130.327 54.08829 202.0872 
1 1 1  -29    3    7 o  1073.90   58.835   5.4179   0.5792   4.8137   0.8005   6.0818   0.8391  999.323   87.946  1127.59   81.414 -128.2695 119.8451 
1 1 1  -29    3    8 o  998.307   62.229   4.6893   0.5688   4.4805   0.8004   4.9023   0.8084  963.514   91.376  1009.91   87.868 -46.39905 126.7691 
1 1 1  -29    3    9 o  1575.24   53.588   11.565   0.7768   10.594   1.0741   12.630   1.1247  1494.88   78.357  1636.23   74.698 -141.3469 108.2573 
1 1 1  -29    3   10 o  1309.57   56.777   7.9962   0.6842   8.1535   0.9751   7.8438   0.9602  1311.02   81.232  1285.62   81.589 25.39941 115.1323 
1 1 1  -29    3   11 o  1148.45   60.163   6.1672   0.6336   5.9568   0.8744   6.3997   0.9193  1119.52   85.531  1160.09   86.744 -40.57239 121.8201 
1 1 1  -29    3   12 o  957.228   68.270   4.3030   0.5974   5.2627   0.9027   3.5553   0.7968  1049.86   94.458  858.300  102.943 191.5603 139.7127 
1 1 1  -29    3   13 o  690.896   88.493   2.2838   0.5497   2.4220   0.7567   2.1294   0.7998  700.644  121.787  650.324  137.927 50.32007 184.0000 
1 1 1  -29    3   14 o  1009.78   68.405   4.7773   0.6318   4.4032   0.8719   5.1910   0.9169  959.309  100.258  1043.75   96.560 -84.44061 139.1965 
1 1 1  -29    3   15 o  600.815   99.143   1.7491   0.5290   1.2398   0.7108   2.3814   0.7919  498.022  145.796  693.185  128.904 -195.1635 194.6094 
1 1 1  -29    3   16 o  275.359  117.200   0.0338   0.5206   1.8613   1.0807  -0.5183   0.5940  601.278  180.714  237.486  110.760 363.7915 211.9558 
1 1 1  -29    3   17 f  768.115  125.982   2.9074   0.8596   4.1555   1.3056   1.9526   1.1419  903.901  162.968  613.498  186.077 290.4020 247.3525 
1 1 1  -29    3   18 o  827.705  134.767   3.4069   0.9911   3.4069   0.9911   0.0000   0.0000  827.705  134.767  ?   ?  0.000000 134.7674 
1 1 1  -29    3   19 f  760.982   91.980   2.7803   0.6310   2.0685   0.8749   3.5521   0.9110  633.403  152.036  850.210  119.762 -216.8071 193.5398 
1 1 1  -29    3   20 o  728.934   97.768   2.5766   0.6392   3.1635   0.9855   2.1503   0.8399  789.425  140.827  646.261  144.831 143.1643 202.0104 
1 1 1  -29    3   21 o  399.315  150.589   0.6644   0.7546   2.3634   1.3237  -0.1536   0.9185  650.551  200.911  334.594  148.730 315.9566 249.9721 
1 1 1  -29    3   22 o  431.804  155.016   0.8790   0.7836   0.2558   1.3073   1.2286   0.9790  422.741  182.899  493.483  173.679 -70.74252 252.2230 
1 1 1  -29    5    1 o  1073.70   71.343   5.5170   0.7008   5.1510   0.8164   6.5425   1.3666  1027.65   87.155  1116.63  135.800 -88.98047 161.3615 
1 1 1  -29    5    2 o  1479.84   60.975   10.332   0.8303   11.301   0.9972   8.1416   1.4993  1541.39   70.306  1253.14  132.005 288.2466 149.5601 
1 1 1  -29    5    3 o  275.508  115.437   0.1339   0.4922   0.2756   0.5743  -0.2581   0.9550  311.542  127.020  324.707  147.356 -13.16534 194.5451 
1 1 1  -29    5    4 o  616.849   82.789   1.8532   0.4581   1.7538   0.6424   1.9560   0.6534  581.227  123.892  616.967  119.401 -35.74066 172.0636 
1 1 1  -29    5    5 o  327.390  107.693   0.5151   0.3756   1.3115   0.5741  -0.0812   0.4967  502.102  124.792  249.950  110.320 252.1524 166.5640 
1 1 1  -29    5    6 f  396.261  105.781   0.7942   0.3929   0.9112   0.5657   0.6852   0.5461  422.530  131.485  377.887  129.907 44.64328 184.8357 
1 1 1  -29    5    7 o  1209.70   65.440   6.9013   0.7257   7.0536   1.3218   6.8357   0.8683  1187.70  122.716  1197.13   79.273 -9.425903 146.0941 
1 1 1  -29    5    8 o  759.140   83.915   2.7714   0.5764   2.0755   0.9957   3.1221   0.7068  618.486  169.791  800.231   98.044 -181.7453 196.0650 
1 1 1  -29    5    9 o  681.917   76.805   2.2210   0.4735   1.9748   0.6360   2.5273   0.7094  628.946  114.096  714.512  111.541 -85.56580 159.5592 
1 1 1  -29    5   10 o  1114.82   62.044   5.8251   0.6339   5.4529   0.8801   6.2265   0.9139  1067.53   90.445  1142.51   87.599 -74.98230 125.9118 
1 1 1  -29    5   11 o  1154.73   60.111   6.2329   0.6365   6.0183   0.8794   6.4691   0.9225  1125.58   85.544  1166.77   86.537 -41.19385 121.6815 
1 1 1  -29    5   12 f  1324.56   65.419   8.1887   0.7973   8.4275   0.9964   7.7635   1.3295  1336.22   81.429  1266.33  115.361 69.88672 141.2053 
1 1 1  -29    5   13 o  304.239  120.608   0.2645   0.5025   0.0368   0.6125   0.7335   0.8789  296.682  126.723  429.378  162.375 -132.6963 205.9714 
1 1 1  -29    5   14 o  2004.07   62.636   18.698   1.1551   17.853   1.4060   20.450   2.0257  1951.88   78.285  2070.46  106.688 -118.5846 132.3290 
1 1 1  -29    5   15 o  724.024  103.193   2.5331   0.6680   1.5939   1.0459   3.1804   0.8682  561.629  179.316  806.348  120.733 -244.7184 216.1724 
1 1 1  -29    5   16 o  578.640  129.781   1.6767   0.6740   0.6640   1.1216   2.2490   0.8432  450.604  179.698  668.082  141.559 -217.4776 228.7584 
1 1 1  -29    5   17 o  1017.41   63.616   4.8413   0.5926   6.1387   0.9993   4.1377   0.7359  1134.74   96.624  933.616   86.651 201.1281 129.7870 
1 1 1  -29    5   18 o  250.721  107.532   0.0024   0.4443  -0.2959   0.7150   0.1900   0.5671  284.985  128.586  305.961  125.648 -20.97635 179.7827 
1 1 1  -29    5   19 o  1578.34   74.155   11.698   1.0770   11.934   1.3669   11.311   1.7489  1581.83   94.339  1518.91  126.278 62.92749 157.6259 
1 1 1  -29    5   20 o  240.012  106.078  -0.1063   0.4608  -0.8823   0.7400   0.3849   0.5888  245.579  117.223  336.342  131.405 -90.76299 176.0922 
1 1 1  -29    5   21 o  352.340  142.865   0.3557   0.7217   0.5064   1.3041   0.2891   0.8665  444.106  187.087  367.154  153.450 76.95212 241.9679 
1 1 1  -29    5   22 o  922.702  146.190   4.4041   1.1998   7.9675   1.9299   2.1592   1.5318  1216.95  177.578  616.701  217.228 600.2496 280.5745 
1 1 1  -29    7    1 o  1046.71   57.925   5.1727   0.5557   5.2906   0.7822   5.0526   0.7897  1045.46   81.969  1019.71   84.935 25.74969 118.0370 
1 1 1  -29    7    2 o  469.959   99.936   1.1191   0.4189   0.8797   0.5665   1.4080   0.6222  412.465  131.997  514.870  131.005 -102.4051 185.9717 
1 1 1  -29    7    3 o  856.992   79.160   3.5408   0.6172   3.3860   0.7223   3.9599   1.1882  828.888   96.501  854.638  156.877 -25.75000 184.1817 
1 1 1  -29    7    4 o  298.708  118.548   0.2894   0.4860   0.3326   0.5621   0.1617   0.9669  318.770  127.187  362.982  157.171 -44.21146 202.1861 
1 1 1  -29    7    5 o  675.764   95.324   2.2472   0.5763   2.2802   0.6884   2.1700   1.0533  671.029  115.674  621.375  176.141 49.65363 210.7280 
1 1 1  -29    7    6 o  485.109  127.033   1.2200   0.5738   1.0681   0.6853   1.5759   1.0492  454.773  145.148  538.344  180.104 -83.57114 231.3126 
1 1 1  -29    7    7 o  926.090   79.935   4.1012   0.6745   4.0888   0.7832   4.1369   1.3271  918.127   94.031  875.562  170.857 42.56421 195.0230 
1 1 1  -29    7    8 o  906.386   78.769   3.9174   0.6504   4.8579   0.8381   2.4931   1.0313  1004.05   91.728  680.943  166.084 323.1074 189.7313 
1 1 1  -29    7    9 o  406.994  136.568   0.7977   0.6033   0.7961   0.8995   0.7990   0.8133  433.065  164.145  425.104  157.117 7.960419 227.2205 
1 1 1  -29    7   10 o  535.390  100.247   1.4109   0.4757   0.9083   0.6579   1.9615   0.6887  431.833  142.553  624.657  124.184 -192.8243 189.0579 
1 1 1  -29    7   11 o  1216.89   60.052   6.9023   0.6724   6.9099   0.9332   6.8942   0.9697  1207.20   84.546  1204.29   88.121 2.906616 122.1200 
1 1 1  -29    7   12 o  620.686   99.190   1.8721   0.5474   1.4421   0.7561   2.3460   0.7937  531.731  148.710  684.782  130.729 -153.0507 198.0019 
1 1 1  -29    7   13 o  245.894  107.172  -0.0589   0.4556   0.3327   0.6430  -0.4537   0.6456  340.975  136.036  255.435  117.858 85.54042 179.9899 
1 1 1  -29    7   14 o  450.145  131.059   1.0056   0.5758   0.0514   0.9040   1.6570   0.7469  355.850  153.024  571.487  142.520 -215.6366 209.1131 
1 1 1  -29    7   15 o  1045.36   66.360   5.1165   0.6350   5.2820   1.2831   5.0629   0.7308  1033.47  138.407  1036.69   77.159 -3.217529 158.4614 
1 1 1  -29    7   16 o  333.404  113.261   0.5005   0.4150   0.8617   0.6700   0.2757   0.5286  427.748  143.921  311.159  123.588 116.5888 189.7027 
1 1 1  -29    7   17 o  598.974   94.427   1.7376   0.5032   2.6829   0.8702   1.2628   0.6168  732.046  134.131  500.279  132.049 231.7669 188.2233 
1 1 1  -29    7   18 o  436.013  123.918   0.9499   0.5206   1.6377   0.8230   0.4912   0.6722  562.827  154.309  366.837  141.208 195.9899 209.1674 
1 1 1  -29    7   19 o  1352.00   71.054   8.6038   0.8809   10.121   1.3418   7.4546   1.1677  1450.35  101.176  1242.75  103.043 207.6024 144.4105 
1 1 1  -29    7   20 o  291.251  118.213   0.2106   0.4947   0.2850   0.8495   0.1725   0.6084  364.691  152.139  309.217  128.856 55.47470 199.3739 
1 1 1  -29    7   21 o  319.437  125.140   0.3478   0.5351  -0.5021   0.8620   0.8807   0.6826  295.196  136.198  424.390  145.254 -129.1941 199.1198 
1 1 1  -29    9    1 o  349.947  107.522   0.6148   0.3797   0.6665   0.5256   0.5584   0.5491  369.404  127.413  351.827  129.251 17.57776 181.4939 
1 1 1  -29    9    2 o  923.529   60.721   4.0340   0.5131   3.3368   0.6935   4.8773   0.7627  824.423   93.052  1004.24   83.293 -179.8202 124.8857 
1 1 1  -29    9    3 o  1445.66   55.244   9.7986   0.7349   9.2562   0.9217   10.745   1.2175  1394.27   72.091  1489.34   89.252 -95.07617 114.7303 
1 1 1  -29    9    4 o  845.859   70.655   3.4108   0.5449   3.2660   0.6874   3.6557   0.8938  817.295   93.067  851.308  117.204 -34.01349 149.6606 
1 1 1  -29    9    5 o  1533.52   50.968   10.978   0.7192   12.023   1.0534   10.066   0.9843  1593.55   71.842  1455.31   73.745 138.2452 102.9539 
1 1 1  -29    9    6 o  610.251  104.829   1.8546   0.5674   2.1232   0.6688   1.1647   1.0719  648.606  116.342  486.549  180.264 162.0569 214.5475 
1 1 1  -29    9    7 o  926.729   66.566   4.0569   0.5639   4.6859   0.8216   3.4969   0.7752  985.275   91.674  845.417  101.696 139.8578 136.9162 
1 1 1  -29    9    8 o  1015.36   61.345   4.8411   0.5705   4.3360   0.7914   5.3874   0.8230  948.849   91.794  1061.74   84.950 -112.8959 125.0701 
1 1 1  -29    9    9 f  325.274  112.395   0.4755   0.4091  -0.1885   0.5600   1.2351   0.5990  256.910  115.029  492.026  130.258 -235.1162 173.7780 
1 1 1  -29    9   10 o  678.446   95.411   2.2302   0.5792   2.3103   1.0007   2.1899   0.7102  662.455  164.831  662.595  120.943 -0.1401367 204.4423 
1 1 1  -29    9   11 o  1211.88   72.990   6.9112   0.8101   7.1843   0.9718   6.2894   1.4667  1230.24   86.398  1119.55  145.832 110.6884 169.5036 
1 1 1  -29    9   12 o  230.061  105.528  -0.3270   0.5071  -0.5310   0.5726   0.4147   1.0918  230.017  107.756  418.598  173.370 -188.5809 204.1289 
1 1 1  -29    9   13 o  864.862   72.301   3.5246   0.5701   2.5088   1.0605   3.9374   0.6761  693.847  167.921  911.645   81.454 -217.7980 186.6338 
1 1 1  -29    9   14 o  1689.54   54.855   13.264   0.8528   15.244   1.7378   12.636   0.9788  1784.28  106.328  1645.91   64.627 138.3740 124.4280 
1 1 1  -29    9   15 o  864.365   68.433   3.5121   0.5398   4.0606   0.9319   3.2351   0.6623  913.962  113.230  823.321   88.827 90.64087 143.9144 
1 1 1  -29    9   16 o  505.496  101.858   1.2578   0.4574   1.7019   0.7605   1.0062   0.5725  576.986  143.772  448.921  130.682 128.0651 194.2887 
1 1 1  -29    9   17 o  800.975   86.193   3.0652   0.6253   2.5222   0.9095   3.5517   0.8610  702.403  145.506  852.446  112.515 -150.0439 183.9342 
1 1 1  -29    9   18 f  859.623   77.583   3.5088   0.6071   3.8356   0.9895   3.3116   0.7687  878.019  126.096  825.061  103.536 52.95764 163.1559 
1 1 1  -29    9   19 o  1259.24   81.345   7.5402   0.9375   7.0272   1.1885   8.3852   1.5254  1200.28  108.790  1297.09  129.535 -96.80371 169.1587 
1 1 1  -29    9   20 o  339.641  128.388   0.4582   0.5493  -0.2967   0.8666   0.9652   0.7102  311.611  140.992  440.108  148.181 -128.4974 204.5398 
1 1 1  -29    9   21 o  777.011   95.843   2.9504   0.6707   1.3238   1.2986   3.5421   0.7833  516.292  196.862  848.981  102.331 -332.6890 221.8696 
1 1 1  -29   11    1 o  970.777   55.521   4.4354   0.4939   4.8238   0.7066   4.0644   0.6906  1002.26   77.214  916.656   82.771 85.60223 113.1943 
1 1 1  -29   11    2 o  863.047   60.430   3.5203   0.4769   3.8285   0.6683   3.2007   0.6806  890.302   82.519  808.127   93.242 82.17493 124.5126 
1 1 1  -29   11    3 o  820.682   63.085   3.1894   0.4728   3.1736   0.6651   3.2055   0.6721  806.439   91.229  810.261   91.767 -3.822449 129.3986 
1 1 1  -29   11    4 o  614.066   79.741   1.8238   0.4399   2.0366   0.6220   1.6108   0.6224  636.409  110.200  558.351  124.328 78.05786 166.1371 
1 1 1  -29   11    5 o  1138.51   55.169   6.0611   0.5780   5.7326   0.8221   6.3822   0.8127  1093.78   82.284  1157.32   76.754 -63.54529 112.5245 
1 1 1  -29   11    6 f  476.587   99.401   1.1331   0.4218   1.9312   0.6342   0.5000   0.5648  619.112  115.576  348.619  130.520 270.4930 174.3364 
1 1 1  -29   11    7 o  790.618   86.918   3.0099   0.6219   3.3279   0.7468   2.2905   1.1231  825.929  100.327  645.347  181.523 180.5816 207.4028 
1 1 1  -29   11    8 o  348.805  113.819   0.5795   0.4199   0.6982   0.6094   0.4723   0.5793  389.508  137.028  347.918  131.768 41.59085 190.1038 
1 1 1  -29   11    9 o  833.485   71.451   3.2862   0.5427   2.8566   0.7464   3.7680   0.7905  762.647  109.497  882.339   99.075 -119.6926 147.6667 
1 1 1  -29   11   10 o  498.863  127.025   1.2619   0.5846   2.2212   1.1303   0.9115   0.6831  643.014  182.530  434.175  145.329 208.8387 233.3191 
1 1 1  -29   11   11 o  1549.14   53.493   11.159   0.7625   10.428   1.4323   11.449   0.9008  1471.20  106.526  1566.07   62.508 -94.87134 123.5113 
1 1 1  -29   11   12 o  894.782   65.693   3.7604   0.5371   2.2777   0.9181   4.5319   0.6622  664.140  153.339  980.155   73.971 -316.0148 170.2489 
1 1 1  -29   11   13 o  1194.35   54.964   6.6341   0.6041   8.5096   1.0519   5.7113   0.7378  1339.89   85.767  1101.32   73.227 238.5614 112.7749 
1 1 1  -29   11   14 o  1340.70   54.241   8.3578   0.6692   9.1770   1.0962   7.8713   0.8448  1391.38   86.046  1294.34   71.206 97.04492 111.6880 
1 1 1  -29   11   15 o  682.416   81.356   2.2237   0.5008   2.1388   0.8573   2.2676   0.6170  644.904  147.658  682.636  101.300 -37.73224 179.0654 
1 1 1  -29   11   16 o  325.939  140.035   0.0536   0.7558   0.0536   0.7558   0.0000   0.0000  325.939  140.035  ?   ?  0.000000 140.0352 
1 1 1  -29   11   17 o  736.832  124.380   2.7188   0.8133   3.3101   0.9463   1.0483   1.5906  811.108  131.280  520.914  211.775 290.1935 249.1646 
1 1 1  -29   11   18 o  239.634  113.006  -0.6345   0.6482  -0.3477   0.7466  -1.5136   1.3068  284.433  129.543  318.973  153.194 -34.53973 200.6231 
1 1 1  -29   11   19 o  341.778  126.572   0.4900   0.5283   0.2103   0.8222   0.6868   0.6895  349.979  148.054  392.946  144.772 -42.96625 207.0718 
1 1 1  -29   11   20 o  232.597  109.169  -0.5252   0.5925   1.2802   0.9360  -1.7322   0.7653  494.403  170.057  207.694  103.218 286.7090 198.9307 
1 1 1  -29   13    1 o  927.102   56.278   4.0494   0.4778   4.5285   0.6809   3.5845   0.6707  971.045   76.834  858.672   86.043 112.3727 115.3548 
1 1 1  -29   13    2 o  689.328   68.249   2.2686   0.4272   1.7225   0.5929   2.8584   0.6161  580.471  115.067  765.342   89.158 -184.8715 145.5664 
1 1 1  -29   13    3 o  779.308   66.083   2.8843   0.4694   2.2677   0.6340   3.6323   0.6983  673.889  105.726  864.795   89.029 -190.9064 138.2177 
1 1 1  -29   13    4 o  1165.35   53.018   6.3458   0.5685   6.1157   0.7976   6.5835   0.8106  1132.05   77.024  1175.63   75.329 -43.58032 107.7367 
1 1 1  -29   13    5 o  481.746   93.798   1.1507   0.4008   0.7655   0.5546   1.5722   0.5800  394.661  130.906  555.913  117.091 -161.2523 175.6322 
1 1 1  -29   13    6 o  1144.25   55.493   6.1165   0.5843   6.3748   0.8407   5.8751   0.8127  1156.54   79.476  1109.78   80.119 46.76013 112.8514 
1 1 1  -29   13    7 o  1086.01   59.749   5.5337   0.5948   5.2124   0.8421   5.8535   0.8402  1041.83   88.687  1107.20   83.073 -65.36804 121.5172 
1 1 1  -29   13    8 o  234.979  109.723  -0.4930   0.5857  -0.4468   0.6950  -0.6064   1.0879  265.229  122.347  331.113  152.852 -65.88409 195.7870 
1 1 1  -29   13    9 o  511.199   87.114   1.2724   0.3951   1.2492   0.8058   1.2797   0.4533  494.137  157.363  508.580  100.427 -14.44324 186.6777 
1 1 1  -29   13   10 o  517.833   90.245   1.3082   0.4144   2.0640   0.8346   1.0610   0.4774  631.318  146.502  459.458  113.563 171.8597 185.3631 
1 1 1  -29   13   11 o  368.811  132.061   0.5972   0.5684  -0.0619   0.9712   0.9405   0.7009  353.370  155.176  439.762  147.212 -86.39209 213.8951 
1 1 1  -29   13   12 o  779.147   66.998   2.8626   0.4757   3.1039   0.7966   2.7288   0.5930  795.220  111.964  754.338   87.027 40.88153 141.8082 
1 1 1  -29   13   13 f  594.520   86.962   1.7069   0.4617   1.2955   0.7471   1.9610   0.5872  502.766  150.059  631.927  104.650 -129.1617 182.9462 
1 1 1  -29   13   14 o  663.343   83.510   2.1117   0.4984   2.1784   0.7725   2.0641   0.6524  655.048  132.717  644.726  114.143 10.32239 175.0496 
1 1 1  -29   13   15 o  262.606  108.677   0.1200   0.4285   0.5554   0.6473  -0.2199   0.5718  370.881  139.551  256.481  115.425 114.4001 181.1001 
1 1 1  -29   13   16 o  750.426   85.237   2.7071   0.5781   2.8326   0.9403   2.6308   0.7331  741.184  143.051  728.226  113.066 12.95862 182.3392 
1 1 1  -29   13   17 o  1065.19   81.277   5.4180   0.7906   7.6837   1.1860   3.6056   1.0607  1255.99  103.540  835.740  143.075 420.2470 176.6096 
1 1 1  -29   13   18 o  177.816   86.847  -0.8237   0.4678  -0.7831   0.7587  -0.8487   0.5942  253.642  120.393  210.671  101.713 42.97061 157.6075 
1 1 1  -29   13   19 o  538.969  117.404   1.4902   0.5658   1.5383   0.9880   1.4668   0.6901  529.985  174.681  525.714  140.121 4.271301 223.9355 
1 1 1  -29   13   20 o  431.478  194.031   0.0416   1.6122   0.0000   0.0000   0.0416   1.6122  ?   ?   431.478  194.031 0.000000 194.0311 
1 1 1  -29   15    1 o  1439.92   48.568   9.6937   0.6435   10.147   0.9791   9.3488   0.8539  1456.85   73.268  1404.59   66.064 52.26001 98.65476 
1 1 1  -29   15    2 o  764.373   65.506   2.7809   0.4563   4.1327   0.7363   1.9383   0.5813  921.505   87.906  620.268  105.644 301.2375 137.4335 
1 1 1  -29   15    3 o  322.159  108.961   0.4905   0.3840   0.6457   0.5464   0.3390   0.5399  368.979  129.761  316.116  125.111 52.86276 180.2520 
1 1 1  -29   15    4 o  301.214  110.118   0.3830   0.3978   0.5695   0.6015   0.2379   0.5304  362.460  134.892  299.903  122.149 62.55664 181.9787 
1 1 1  -29   15    5 o  166.167   79.968  -0.5128   0.3603  -0.2729   0.5282  -0.7215   0.4928  238.134  108.652  191.579   92.528 46.55492 142.7122 
1 1 1  -29   15    6 o  326.931   98.962   0.5237   0.3232   1.1782   0.6558   0.3137   0.3715  475.687  140.266  283.363  105.896 192.3247 175.7509 
1 1 1  -29   15    7 o  1048.52   53.186   5.1424   0.5115   4.1115   0.9413   5.5743   0.6093  909.974  114.979  1088.99   61.047 -179.0146 130.1809 
1 1 1  -29   15    8 o  722.993   69.801   2.4824   0.4586   3.2073   0.7340   2.0182   0.5874  810.150  100.625  639.186  103.395 170.9636 144.2769 
1 1 1  -29   15    9 o  220.004   94.369   0.0031   0.3423   0.6118   0.6234  -0.2596   0.4095  375.551  137.756  206.827   94.855 168.7241 167.2551 
1 1 1  -29   15   10 o  233.163   95.714   0.1033   0.3289   1.1414   0.6587  -0.2414   0.3796  471.740  140.937  199.458   91.420 272.2819 167.9903 
1 1 1  -29   15   11 f  728.102  105.024   2.6041   0.6833   2.8153   1.4519   2.5440   0.7744  702.804  209.065  711.667  122.688 -8.863098 242.4061 
1 1 1  -29   15   12 o  478.398   99.965   1.1373   0.4259   0.9391   0.7343   1.2378   0.5228  439.194  150.655  494.472  116.762 -55.27829 190.6047 
1 1 1  -29   15   13 o  312.735  116.217   0.3913   0.4462   0.2806   0.7107   0.4634   0.5732  341.277  140.471  344.955  130.968 -3.677460 192.0538 
1 1 1  -29   15   14 o  908.300   74.051   3.9196   0.6135   3.9090   0.9453   3.9274   0.8065  885.782  118.985  898.172   99.237 -12.38928 154.9363 
1 1 1  -29   15   15 f  659.703   89.304   2.1161   0.5282   1.2825   0.8131   2.7245   0.6947  494.992  158.120  743.169  104.468 -248.1771 189.5142 
1 1 1  -29   15   16 o  713.626   84.034   2.4622   0.5412   1.4879   0.8164   3.2262   0.7229  526.749  156.790  811.054   98.920 -284.3054 185.3872 
1 1 1  -29   15   17 o  273.846  110.903   0.1982   0.4343  -0.2757   0.5723   0.8421   0.6670  248.336  113.225  412.980  143.474 -164.6440 182.7697 
1 1 1  -29   15   18 o  584.735   98.557   1.7064   0.5114   1.2335   0.7086   2.2207   0.7389  480.130  146.782  653.494  127.463 -173.3633 194.4012 
1 1 1  -29   15   19 f  360.687  133.923   0.5810   0.5923  -0.1973   0.7440   1.9271   0.9785  291.623  131.413  582.296  171.223 -290.6731 215.8396 
1 1 1  -29   17    1 o  917.036   50.882   3.9581   0.4277   3.7826   0.5899   4.1526   0.6210  885.976   73.005  928.381   73.285 -42.40466 103.4428 
1 1 1  -29   17    2 o  399.340   94.241   0.8091   0.3407   1.2156   0.4592   0.3110   0.5083  486.771  105.554  303.702  121.011 183.0688 160.5786 
1 1 1  -29   17    3 o  408.333   97.080   0.8459   0.3594   0.2806   0.4856   1.5310   0.5345  295.770  118.144  546.816  110.044 -251.0457 161.4548 
1 1 1  -29   17    4 o  227.822   90.024   0.1551   0.2791   0.5490   0.5123  -0.0113   0.3329  346.904  125.242  213.189   92.264 133.7144 155.5579 
1 1 1  -29   17    5 o  598.935   63.479   1.7085   0.3445   2.0035   0.6005   1.5637   0.4206  631.066  107.246  565.867   83.272 65.19916 135.7792 
1 1 1  -29   17    6 o  189.050   84.444  -0.1032   0.2999  -0.6992   0.5141   0.2042   0.3692  198.722   95.606  260.472  103.344 -61.74997 140.7848 
1 1 1  -29   17    7 o  603.075   70.035   1.7405   0.3814   2.5056   0.6705   1.3746   0.4637  709.581  105.936  524.620   99.711 184.9613 145.4808 
1 1 1  -29   17    8 o  1089.54   51.039   5.5395   0.5117   4.8637   0.8581   5.9125   0.6374  1000.29   94.338  1120.24   62.080 -119.9445 112.9318 
1 1 1  -29   17    9 o  1130.19   60.551   6.0085   0.6274   6.9645   0.9734   5.3290   0.8206  1202.42   88.600  1052.74   85.454 149.6876 123.0946 
1 1 1  -29   17   10 o  286.279  109.261   0.3018   0.4003   0.5603   0.6819   0.1659   0.4944  372.287  142.488  282.951  116.883 89.33517 184.2942 
1 1 1  -29   17   11 o  420.614  149.214   0.8508   0.7240   0.9851   1.2564   0.7840   0.8859  478.389  190.372  424.651  162.435 53.73865 250.2534 
1 1 1  -29   17   12 o  813.835   74.239   3.1622   0.5498   2.2995   0.8488   3.7859   0.7217  660.543  143.739  883.860   89.993 -223.3166 169.5869 
1 1 1  -29   17   13 o  202.833   92.984  -0.2405   0.3929   0.9564   0.7097  -0.7696   0.4718  435.605  148.117  182.264   88.617 253.3407 172.6025 
1 1 1  -29   17   14 o  267.933  104.742   0.2382   0.3743   0.2507   0.5700   0.2288   0.4963  308.894  126.309  291.570  118.384 17.32443 173.1152 
1 1 1  -29   17   15 o  458.264  102.056   1.0643   0.4193   1.1875   0.5955   0.9432   0.5905  474.702  131.709  426.799  134.573 47.90350 188.3004 
1 1 1  -29   17   16 o  326.916  113.810   0.5008   0.4198   0.4041   0.6023   0.5921   0.5855  334.120  132.175  361.477  133.363 -27.35739 187.7657 
1 1 1  -29   17   17 o  236.794  102.906  -0.0101   0.4175  -0.5691   0.5918   0.5438   0.5891  226.870  107.288  352.818  133.056 -125.9488 170.9229 
1 1 1  -29   17   18 o  692.720  153.305   2.6534   0.9513   2.6534   0.9513   0.0000   0.0000  692.720  153.305  ?   ?  0.000000 153.3051 
1 1 1  -29   19    1 o  827.668   43.442   3.2154   0.3297   3.0072   0.4748   3.4093   0.4582  790.241   65.898  845.230   59.283 -54.98877 88.64004 
1 1 1  -29   19    2 o  580.058   48.513   1.5897   0.2566   1.7350   0.4450   1.5174   0.3140  591.514   84.127  562.092   61.727 29.42212 104.3436 
1 1 1  -29   19    3 o  292.694   84.275   0.4276   0.2393   0.8793   0.4576   0.2576   0.2807  408.764  116.172  250.056   92.328 158.7077 148.3929 
1 1 1  -29   19    4 o  427.905   75.190   0.9010   0.2853   0.6380   0.5132   1.0187   0.3431  360.532  125.814  451.670   85.698 -91.13831 152.2279 
1 1 1  -29   19    5 o  574.877   64.930   1.5848   0.3374   1.2230   0.5813   1.7687   0.4144  478.737  129.031  603.237   76.372 -124.5003 149.9391 
1 1 1  -29   19    6 o  443.483   87.260   0.9813   0.3434   0.8284   0.6068   1.0534   0.4165  403.312  136.958  454.331  102.119 -51.01904 170.8391 
1 1 1  -29   19    7 o  958.593   54.647   4.3262   0.4800   4.3296   0.8012   4.3243   0.5995  938.562   94.036  952.061   68.903 -13.49890 116.5776 
1 1 1  -29   19    8 o  268.006  102.369   0.2676   0.3515   0.8767   0.6442   0.0093   0.4195  414.814  141.113  240.551  103.842 174.2628 175.2032 
1 1 1  -29   19    9 o  653.803   88.237   2.0980   0.5173   1.7978   0.7598   2.3573   0.7062  576.882  143.680  678.525  117.357 -101.6428 185.5171 
1 1 1  -29   19   10 o  355.696  110.137   0.6351   0.3975   0.5995   0.7256   0.6504   0.4751  378.099  146.380  363.062  121.204 15.03622 190.0464 
1 1 1  -29   19   11 o  498.595  129.587   1.3168   0.6000   1.4890   0.8717   1.1618   0.8271  517.949  163.535  466.980  159.890 50.96854 228.7108 
1 1 1  -29   19   12 o  1117.72   53.947   5.8622   0.5548   7.0242   0.8393   4.9603   0.7394  1209.98   75.768  1013.69   79.923 196.2936 110.1292 
1 1 1  -29   19   13 f  266.937  104.162   0.2470   0.3696   0.1450   0.5160   0.3545   0.5297  281.088  118.010  314.460  124.095 -33.37192 171.2482 
1 1 1  -29   19   14 o  696.758   76.508   2.3549   0.4824   2.2514   0.6565   2.4764   0.7114  662.789  111.604  693.300  115.584 -30.51190 160.6709 
1 1 1  -29   19   15 o  729.860   77.043   2.5882   0.5096   2.2438   0.7193   2.9353   0.7220  652.498  124.345  760.771  106.026 -108.2734 163.4112 
1 1 1  -29   19   16 o  334.975  119.907   0.5310   0.4685   1.0550   0.6726   0.0368   0.6531  440.775  144.064  292.949  127.981 147.8264 192.7001 
1 1 1  -29   21    1 o  555.821  181.255   2.0981   1.0649   2.2636   1.3567   1.8326   1.7185  549.213  202.936  497.004  212.278 52.20917 293.6747 
1 1 1  -29   21    2 o  872.331   52.489   3.6187   0.4194   4.2222   1.4494   3.5636   0.4381  788.104  199.636  864.048   55.395 -75.94391 207.1788 
1 1 1  -29   21    3 o  206.888   80.864   0.1431   0.2231   0.4101   0.5077   0.0793   0.2483  312.771  122.070  199.921   82.728 112.8498 147.4617 
1 1 1  -29   21    4 o  290.569   87.849   0.4245   0.2548   0.6048   0.4934   0.3589   0.2976  347.398  123.183  275.968   95.836 71.43018 156.0719 
1 1 1  -29   21    5 o  743.612   52.989   2.6219   0.3602   2.0425   0.6324   2.9002   0.4383  622.972  114.534  778.245   61.704 -155.2737 130.0978 
1 1 1  -29   21    6 o  536.710   68.577   1.3998   0.3309   2.2129   0.6363   1.0983   0.3875  653.324  109.737  463.829   94.001 189.4949 144.4937 
1 1 1  -29   21    7 o  228.366   93.053   0.1306   0.3080  -0.0812   0.6245   0.1986   0.3540  273.818  122.114  252.322  100.848 21.49557 158.3736 
1 1 1  -29   21    8 o  578.501   72.997   1.6308   0.3799   1.9408   0.7122   1.5076   0.4492  597.323  132.994  546.926   92.555 50.39618 162.0300 
1 1 1  -29   21    9 o  481.953  102.575   1.1989   0.4409   0.9342   0.6940   1.3781   0.5710  418.904  146.296  506.651  123.584 -87.74719 191.5088 
1 1 1  -29   21   10 o  549.262   76.605   1.4804   0.3766   1.5995   0.5378   1.3657   0.5276  554.848  109.230  508.490  115.403 46.35809 158.8999 
1 1 1  -29   21   11 o  334.159  108.768   0.5631   0.3835   0.4266   0.5228   0.7222   0.5644  321.293  124.291  376.454  131.905 -55.16165 181.2378 
1 1 1  -29   21   12 o  295.978  111.475   0.3729   0.4132   0.3740   0.5887   0.3718   0.5802  321.740  129.528  320.214  128.703 1.526031 182.5978 
1 1 1  -29   21   13 o  238.241  101.379   0.0686   0.3893  -0.0003   0.5646   0.1310   0.5376  269.222  118.268  279.571  119.051 -10.34863 167.8106 
1 1 1  -29   21   14 o  190.754   89.244  -0.3189   0.3905  -0.7395   0.5576   0.0859   0.5471  203.925   98.475  275.400  118.740 -71.47491 154.2611 
1 1 1  -29   23    1 o  362.223  164.276   0.4935   1.1845   1.6857   1.6807  -0.6830   1.6696  447.225  199.828  338.891  165.197 108.3344 259.2708 
1 1 1  -29   23    2 f  388.174  168.822   0.7889   1.1254  -0.0998   1.4341   2.2134   1.8158  352.001  166.630  489.687  213.676 -137.6862 270.9668 
1 1 1  -29   23    3 o  207.300   81.233   0.1513   0.2255   0.0194   1.5953   0.1540   0.2278  374.102  176.680  208.540   81.665 165.5628 194.6406 
1 1 1  -29   23    4 o  514.421   69.550   1.3114   0.3208   2.6091   1.6159   1.2581   0.3273  552.810  217.188  501.953   73.000 50.85669 229.1280 
1 1 1  -29   23    5 o  271.713   98.090   0.3461   0.3142   1.9657   1.7079   0.2893   0.3197  503.168  213.148  259.604   97.989 243.5641 234.5937 
1 1 1  -29   23    6 o  312.979  101.068   0.5065   0.3315   1.3951   1.0046   0.3979   0.3512  466.894  174.209  288.479  103.755 178.4147 202.7660 
1 1 1  -29   23    7 o  215.148   94.308  -0.0132   0.3573   0.9207   0.8084  -0.2399   0.3983  406.336  155.229  199.167   92.134 207.1691 180.5125 
1 1 1  -29   23    8 o  698.373   59.988   2.3501   0.3818   3.1149   0.5689   1.7235   0.5149  792.176   79.101  573.931  101.197 218.2451 128.4434 
1 1 1  -29   23    9 o  238.529  105.605  -0.0334   0.4586  -0.2109   0.7486   0.0732   0.5802  279.649  128.253  276.283  120.664 3.366699 176.0927 
1 1 1  -29   23   10 o  235.190   97.041   0.1385   0.3402   0.8755   0.5277  -0.3857   0.4451  397.331  127.430  198.746   93.697 198.5845 158.1696 
1 1 1  -29   23   11 f  335.114  119.379   0.5701   0.4639   0.0893   0.5333   2.0654   0.9404  269.459  116.699  571.923  167.776 -302.4641 204.3708 
1 1 1  -29   23   12 o  407.900  128.793   0.9298   0.5407   1.4266   0.9164   0.6645   0.6697  477.907  168.052  365.145  140.835 112.7621 219.2624 
1 1 1  -29   23   13 o  413.418  191.453   0.3005   1.7268   0.3005   1.7268   0.0000   0.0000  413.418  191.453  ?   ?  0.000000 191.4529 
1 1 1  -29   25    1 o  275.035  135.009  -0.8595   1.1746  -0.4770   1.5603  -1.3598   1.7847  316.647  155.469  305.471  152.720 11.17685 217.9316 
1 1 1  -29   25    2 o  467.704  186.551   2.0193   1.2090   1.1176   1.4539   4.0407   2.1768  388.608  178.411  511.699  228.111 -123.0908 289.5948 
1 1 1  -29   25    3 o  231.847   85.420   0.2496   0.2401  -0.6481   1.6000   0.2703   0.2428  324.869  159.079  237.703   86.159 87.16556 180.9130 
1 1 1  -29   25    4 o  240.002   91.548   0.2532   0.2809   0.0371   1.6878   0.2594   0.2849  358.920  172.817  242.043   92.225 116.8768 195.8853 
1 1 1  -29   25    5 o  341.084  101.980   0.6451   0.3448   0.7601   1.4831   0.6386   0.3545  388.781  179.119  338.837  103.865 49.94452 207.0542 
1 1 1  -29   25    6 o  180.167   82.090  -0.1212   0.3002   0.5868   0.5430  -0.4329   0.3602  331.910  127.123  166.855   80.213 165.0547 150.3147 
1 1 1  -29   25    7 o  438.531   90.677   1.0199   0.3538   0.9171   0.6345   1.0663   0.4262  389.767  139.534  437.970  106.741 -48.20294 175.6799 
1 1 1  -29   25    8 o  274.990  135.706  -1.5407   1.2399  -0.6495   1.8862  -2.2187   1.6453  360.565  175.725  297.799  148.536 62.76611 230.0911 
1 1 1  -29   25    9 o  415.410  193.088   0.8140   1.7810   0.8140   1.7810   0.0000   0.0000  415.410  193.088  ?   ?  0.000000 193.0878 
1 1 1  -29   25   10 o  324.338  159.622  -1.4601   1.6764  -1.4601   1.6764   0.0000   0.0000  324.338  159.622  ?   ?  0.000000 159.6221 
1 1 1  -28    0    1 o  191.672  127.699  -0.1048   0.6096  -0.1048   0.6096  -0.1048   0.6096  191.672  127.699  191.672  127.699 -0.000000 0.000000 
1 1 1  -28    0    2 o  184.878  125.633  -0.2574   0.6474  -0.2574   0.6474  -0.2574   0.6474  184.878  125.633  184.878  125.633 -0.000000 0.000000 
1 1 1  -28    0    3 o  491.583  193.796   1.7099   0.8422   1.7099   0.8422   1.7099   0.8422  491.583  193.796  491.583  193.796 -0.000000 0.000000 
1 1 1  -28    0    4 o  594.675  188.390   2.2587   0.9068   2.2587   0.9068   2.2587   0.9068  594.675  188.390  594.675  188.390 -0.000000 0.000000 
1 1 1  -28    0    5 o  1648.36   69.181   12.844   1.0451   12.844   1.0451   12.844   1.0451  1648.36   69.181  1648.36   69.181 -0.000000 0.000000 
1 1 1  -28    0    6 o  281.487  154.029   0.5898   0.5703   0.5898   0.5703   0.5898   0.5703  281.487  154.029  281.487  154.029 0.000000 0.000000 
1 1 1  -28    0    7 o  1674.85   69.925   13.262   1.0734   13.262   1.0734   13.262   1.0734  1674.85   69.925  1674.85   69.925 -0.000000 0.000000 
1 1 1  -28    0    8 o  331.436  162.732   0.8304   0.5905   0.8304   0.5905   0.8304   0.5905  331.436  162.732  331.436  162.732 -0.000000 0.000000 
1 1 1  -28    0    9 o  190.825  124.213   0.0175   0.5268   0.0175   0.5268   0.0175   0.5268  190.825  124.213  190.825  124.213 0.000000 0.000000 
1 1 1  -28    0   10 o  277.185  151.019   0.5667   0.5458   0.5667   0.5458   0.5667   0.5458  277.185  151.019  277.185  151.019 0.000000 0.000000 
1 1 1  -28    0   11 o  824.817  109.856   3.4386   0.7924   3.4386   0.7924   3.4386   0.7924  824.817  109.856  824.817  109.856 -0.000000 0.000000 
1 1 1  -28    0   12 o  1219.63   86.969   7.1539   0.9646   7.1539   0.9646   7.1539   0.9646  1219.63   86.969  1219.63   86.969 -0.000000 0.000000 
1 1 1  -28    0   13 o  1493.15   81.334   10.606   1.1099   10.606   1.1099   10.606   1.1099  1493.15   81.334  1493.15   81.334 -0.000000 0.000000 
1 1 1  -28    0   14 o  1573.64   82.580   11.768   1.1882   11.768   1.1882   11.768   1.1882  1573.64   82.580  1573.64   82.580 0.000000 0.000000 
1 1 1  -28    0   15 o  1213.38   95.282   7.1152   1.0487   7.1152   1.0487   7.1152   1.0487  1213.38   95.282  1213.38   95.282 0.000000 0.000000 
1 1 1  -28    0   16 o  564.660  167.322   1.9214   0.7562   1.9214   0.7562   1.9214   0.7562  564.660  167.322  564.660  167.322 0.000000 0.000000 
1 1 1  -28    0   17 o  264.085  153.392   0.4673   0.6116   0.4673   0.6116   0.4673   0.6116  264.085  153.392  264.085  153.392 0.000000 0.000000 
1 1 1  -28    0   18 o  955.114  167.752   4.9955   1.3384   4.9955   1.3384   4.9955   1.3384  955.114  167.752  955.114  167.752 -0.000000 0.000000 
1 1 1  -28    0   19 o  272.885  164.396   0.4867   0.7502   0.4867   0.7502   0.4867   0.7502  272.885  164.396  272.885  164.396 0.000000 0.000000 
1 1 1  -28    0   20 o  248.621  158.253   0.2735   0.7956   0.2735   0.7956   0.2735   0.7956  248.621  158.253  248.621  158.253 0.000000 0.000000 
1 1 1  -28    0   21 o  293.906  188.625   0.5464   1.1593   0.5464   1.1593   0.5464   1.1593  293.906  188.625  293.906  188.625 0.000000 0.000000 
1 1 1  -28    0   22 o  212.379  142.455  -0.0320   0.7813  -0.0320   0.7813  -0.0320   0.7813  212.379  142.455  212.379  142.455 0.000000 0.000000 
1 1 1  -28    0   23 o  491.957  238.934   2.4677   1.2673   2.4677   1.2673   2.4677   1.2673  491.957  238.934  491.957  238.934 0.000000 0.000000 
1 1 1  -28    2    1 o  430.031  102.046   0.9503   0.3977   0.8453   0.5596   1.0576   0.5654  402.766  131.394  444.862  129.975 -42.09592 184.8184 
1 1 1  -28    2    2 o  550.957   85.264   1.4985   0.4183   0.7563   0.5565   2.4624   0.6342  386.731  131.163  700.396  101.353 -313.6656 165.7589 
1 1 1  -28    2    3 o  656.302   76.844   2.0868   0.4553   2.9070   0.6489   1.2916   0.6389  767.233   93.877  490.457  136.541 276.7758 165.6998 
1 1 1  -28    2    4 o  678.029   72.317   2.2098   0.4442   1.5855   0.6188   2.8735   0.6381  550.167  125.071  764.414   92.603 -214.2463 155.6214 
1 1 1  -28    2    5 o  1131.21   63.982   6.0555   0.6633   5.9186   1.1545   6.1229   0.8103  1083.61  117.676  1129.70   78.438 -46.09387 141.4218 
1 1 1  -28    2    6 o  672.292   85.692   2.1996   0.5181   2.1366   0.9230   2.2286   0.6259  624.416  159.939  667.879  105.344 -43.46344 191.5149 
1 1 1  -28    2    7 o  569.326   84.677   1.5802   0.4301   1.3772   0.6088   1.7826   0.6077  514.244  128.902  592.341  115.646 -78.09747 173.1759 
1 1 1  -28    2    8 o  983.377   58.970   4.5460   0.5311   4.6708   0.7434   4.4159   0.7591  986.880   82.628  957.242   87.135 29.63763 120.0825 
1 1 1  -28    2    9 o  342.813  110.082   0.5671   0.3937   1.2884   0.5991   0.0187   0.5224  499.713  129.299  270.018  116.222 229.6953 173.8557 
1 1 1  -28    2   10 o  947.793   63.648   4.2276   0.5519   3.8471   0.7612   4.6490   0.8012  892.131   94.155  983.705   89.493 -91.57349 129.9003 
1 1 1  -28    2   11 o  918.712   67.688   3.9780   0.5682   3.9002   0.7943   4.0595   0.8131  898.270   97.675  916.505   97.925 -18.23450 138.3105 
1 1 1  -28    2   12 o  728.827   76.764   2.5241   0.5071   3.8413   0.7739   1.5333   0.6712  893.838   95.580  548.643  134.086 345.1953 164.6645 
1 1 1  -28    2   13 f  809.708   74.574   3.0976   0.5494   3.8503   0.7915   2.3980   0.7632  895.681   97.616  695.189  123.842 200.4917 157.6887 
1 1 1  -28    2   14 o  1375.57   58.971   8.7992   0.7464   9.2742   1.0501   8.3140   1.0612  1403.16   81.685  1326.01   87.464 77.14282 119.6764 
1 1 1  -28    2   15 o  782.882   81.588   2.9037   0.5791   3.0946   0.8348   2.7265   0.8040  796.833  117.370  745.612  121.367 51.22101 168.8363 
1 1 1  -28    2   16 o  362.114  122.118   0.5962   0.4824   1.3819   0.7296  -0.0139   0.6429  523.972  145.929  298.335  128.671 225.6366 194.5548 
1 1 1  -28    2   17 o  512.705  147.461   1.3203   0.7329   1.0182   1.0273   1.6335   1.0460  482.846  176.888  567.994  179.113 -85.14862 251.7354 
1 1 1  -28    2   18 o  522.028  153.492   1.3753   0.7863   1.3753   0.7863   0.0000   0.0000  522.028  153.492  ?   ?  0.000000 153.4925 
1 1 1  -28    2   19 o  1141.54   66.905   6.1045   0.6997   6.9759   1.1157   5.5397   0.8983  1207.06  101.392  1078.89   91.344 128.1686 136.4700 
1 1 1  -28    2   20 o  474.781  124.935   1.1363   0.5532   1.3564   0.8203   0.9527   0.7492  515.352  157.993  446.365  152.184 68.98773 219.3672 
1 1 1  -28    2   21 o  414.657  150.899   0.7672   0.7458   1.1834   1.3450   0.5824   0.8963  515.435  199.371  406.775  161.132 108.6599 256.3445 
1 1 1  -28    2   22 o  694.802  103.810   2.3763   0.6433   2.2128   1.0588   2.4720   0.8100  637.205  175.155  696.213  131.253 -59.00848 218.8759 
1 1 1  -28    2   23 o  407.241  157.972   0.6667   0.8463   1.7719   1.2083  -0.3976   1.1857  569.310  193.267  357.957  163.116 211.3525 252.9014 
1 1 1  -28    4    1 o  743.544   71.159   2.6623   0.4809   2.2599   0.6599   3.1183   0.7024  663.304  112.105  789.795   98.809 -126.4919 149.4350 
1 1 1  -28    4    2 o  537.113   93.802   1.4448   0.4467   1.3826   0.5977   1.5236   0.6724  509.609  127.719  530.827  136.801 -21.21841 187.1544 
1 1 1  -28    4    3 o  1004.92   58.114   4.7692   0.5351   5.1474   0.7428   4.3614   0.7714  1033.23   78.725  944.089   89.885 89.14148 119.4862 
1 1 1  -28    4    4 o  1121.47   54.099   5.8979   0.5583   5.5117   0.7774   6.3091   0.8022  1069.89   79.536  1146.92   76.450 -77.02661 110.3202 
1 1 1  -28    4    5 o  982.439   57.227   4.5458   0.5151   4.8077   0.7308   4.2872   0.7261  999.577   80.126  941.141   84.759 58.43567 116.6379 
1 1 1  -28    4    6 o  971.053   57.340   4.4372   0.5101   4.8980   0.7423   4.0251   0.7021  1009.72   80.568  912.823   84.543 96.89673 116.7851 
1 1 1  -28    4    7 o  966.903   70.418   4.4420   0.6222   4.3268   1.0711   4.5007   0.7644  920.717  130.051  965.398   86.983 -44.68152 156.4589 
1 1 1  -28    4    8 f  542.895  104.311   1.4743   0.5022   2.3669   0.8786   1.0412   0.6120  669.895  146.604  449.595  136.183 220.3003 200.0965 
1 1 1  -28    4    9 o  418.204  106.618   0.8808   0.4115   1.1534   0.6019   0.6416   0.5639  472.931  132.834  373.476  131.775 99.45517 187.1087 
1 1 1  -28    4   10 o  997.223   64.375   4.6796   0.5876   4.4091   0.8328   4.9476   0.8291  954.941   96.077  1015.11   89.684 -60.16986 131.4307 
1 1 1  -28    4   11 o  845.850   69.924   3.3798   0.5394   2.1346   0.7076   5.1067   0.8333  652.296  122.380  1033.50   88.476 -381.2040 151.0128 
1 1 1  -28    4   12 o  1058.52   73.883   5.2842   0.7151   5.2184   0.8859   5.4073   1.2116  1044.44   93.154  1045.88  128.609 -1.443481 158.8018 
1 1 1  -28    4   13 o  629.431  108.282   1.9412   0.6045   2.4643   0.7529   0.9923   1.0141  706.562  120.107  475.205  175.484 231.3564 212.6505 
1 1 1  -28    4   14 o  1702.22   58.027   13.470   0.9089   13.197   1.2791   13.748   1.2917  1675.91   82.946  1710.90   82.047 -34.99353 116.6699 
1 1 1  -28    4   15 o  1435.91   59.874   9.5865   0.7911   8.7774   1.0955   10.468   1.1436  1363.18   87.804  1490.88   83.703 -127.7023 121.3081 
1 1 1  -28    4   16 o  879.929   85.886   3.6712   0.6865   3.8844   1.2204   3.5724   0.8304  877.182  156.960  860.925  107.139 16.25647 190.0398 
1 1 1  -28    4   17 o  1159.69   64.990   6.2845   0.6907   6.6481   1.3909   6.1654   0.7958  1165.89  131.976  1145.41   75.934 20.48572 152.2620 
1 1 1  -28    4   18 o  639.039   86.719   1.9557   0.4968   1.7027   0.8332   2.0953   0.6188  576.795  154.063  655.822  106.164 -79.02649 187.0993 
1 1 1  -28    4   19 o  365.908  128.911   0.5906   0.5395   0.2549   0.8097   0.8586   0.7235  359.373  149.105  430.454  149.432 -71.08066 211.0978 
1 1 1  -28    4   20 o  778.132   95.481   2.9217   0.6693   4.8627   1.0593   1.6317   0.8635  995.926  117.876  559.771  159.769 436.1555 198.5468 
1 1 1  -28    4   21 o  744.142  123.734   2.7753   0.8175   1.9168   1.4010   3.2185   1.0066  596.322  207.887  792.227  143.368 -195.9045 252.5302 
1 1 1  -28    4   22 o  500.187  132.913   1.2938   0.6222   0.5573   1.0200   1.7301   0.7851  415.360  169.307  572.967  147.908 -157.6068 224.8151 
1 1 1  -28    6    1 o  299.959  116.205   0.3438   0.4575   0.2743   0.5252   0.5623   0.9313  300.299  121.836  391.175  160.877 -90.87601 201.8054 
1 1 1  -28    6    2 o  650.180   86.415   2.0793   0.5042   1.9264   0.5746   2.5907   1.0511  616.269  105.101  671.614  169.940 -55.34485 199.8146 
1 1 1  -28    6    3 o  1577.24   58.097   11.713   0.8432   12.375   1.0092   10.183   1.5342  1614.44   67.938  1416.59  118.797 197.8464 136.8513 
1 1 1  -28    6    4 o  1167.86   64.147   6.4629   0.6867   6.0345   0.7987   7.6774   1.3448  1120.66   77.936  1230.22  120.338 -109.5549 143.3708 
1 1 1  -28    6    5 o  803.603   78.261   3.1103   0.5714   3.0733   0.6764   3.2025   1.0674  790.682   94.866  768.320  156.293 22.36139 182.8312 
1 1 1  -28    6    6 o  652.488   74.080   2.0454   0.4369   2.4043   0.6334   1.7197   0.6034  695.874  101.944  579.786  117.132 116.0886 155.2820 
1 1 1  -28    6    7 o  1785.33   55.641   14.918   0.9141   15.107   1.1645   14.615   1.4754  1787.22   70.810  1739.07   92.529 48.14844 116.5146 
1 1 1  -28    6    8 o  285.292  114.794   0.2246   0.4621   1.0465   0.6077  -0.9027   0.7116  450.771  135.518  236.043  113.281 214.7282 176.6281 
1 1 1  -28    6   10 o  380.616  114.893   0.7163   0.4361   1.3022   0.6162   0.1282   0.6174  503.713  131.521  305.611  128.732 198.1019 184.0379 
1 1 1  -28    6   11 o  273.030  109.380   0.1975   0.4175   0.5815   0.5784  -0.2204   0.6034  367.159  133.000  264.575  118.863 102.5844 178.3744 
1 1 1  -28    6   12 f  456.285  112.311   1.0397   0.4684   2.8170   0.7143  -0.3010   0.6204  761.128  104.760  261.791  118.789 499.3369 158.3834 
1 1 1  -28    6   13 o  1068.67   66.520   5.3514   0.6509   4.9362   0.8976   5.8118   0.9453  1015.76   97.216  1104.20   93.927 -88.44049 135.1786 
1 1 1  -28    6   14 o  1756.44   56.049   14.333   0.9059   15.941   1.3319   12.949   1.2357  1843.77   78.504  1660.76   80.863 183.0089 112.7018 
1 1 1  -28    6   15 o  1339.03   59.315   8.3371   0.7308   7.5333   1.3776   8.6520   0.8622  1246.88  121.614  1359.84   69.131 -112.9642 139.8893 
1 1 1  -28    6   16 o  1387.09   59.594   8.9475   0.7606   8.4908   1.4736   9.1134   0.8881  1323.89  122.351  1397.34   69.069 -73.45374 140.4996 
1 1 1  -28    6   17 o  903.313   65.239   3.8231   0.5386   4.2529   0.8916   3.5761   0.6759  940.205  104.843  867.763   85.768 72.44202 135.4556 
1 1 1  -28    6   18 o  937.529   70.479   4.1331   0.6036   4.7373   0.9957   3.7821   0.7589  988.972  111.356  889.047   94.197 99.92462 145.8538 
1 1 1  -28    6   19 o  844.241   97.285   3.4327   0.7419   3.4525   0.9582   3.4030   1.1725  833.145  129.164  810.146  162.927 22.99927 207.9147 
1 1 1  -28    6   20 o  1284.06   64.104   7.7141   0.7574   9.4685   1.3046   6.8220   0.9303  1401.77  101.838  1197.29   84.991 204.4779 132.6438 
1 1 1  -28    6   21 o  611.965  108.228   1.8618   0.5871   2.5373   1.0233   1.5302   0.7169  688.985  163.807  541.863  142.048 147.1214 216.8181 
1 1 1  -28    6   22 o  339.348  143.667   0.1831   0.7752   0.2910   1.4473   0.1396   0.9180  439.280  191.247  358.181  154.117 81.09854 245.6165 
1 1 1  -28    8    1 o  729.739   68.005   2.5540   0.4514   2.4917   0.6094   2.6297   0.6719  706.826   96.191  721.787  104.180 -14.96069 141.7966 
1 1 1  -28    8    2 o  561.561   81.972   1.5475   0.4111   1.5177   0.5713   1.5795   0.5920  539.210  118.384  549.274  120.449 -10.06384 168.8869 
1 1 1  -28    8    3 o  1162.24   57.970   6.3582   0.6200   6.0410   0.7731   6.9298   1.0377  1121.99   75.318  1187.29   95.802 -65.30151 121.8639 
1 1 1  -28    8    4 o  500.178   99.607   1.2616   0.4423   0.8292   0.5510   2.0450   0.7417  402.744  130.324  622.099  133.567 -219.3549 186.6130 
1 1 1  -28    8    5 o  363.577  112.197   0.6630   0.4129   0.2171   0.5661   1.1698   0.6035  302.772  125.073  471.091  133.257 -168.3192 182.7588 
1 1 1  -28    8    6 f  897.177   77.628   3.8594   0.6345   3.1831   0.7292   5.9699   1.2881  803.016  100.909  1079.40  132.463 -276.3846 166.5211 
1 1 1  -28    8    7 o  1056.77   71.598   5.3049   0.6921   6.0159   0.8419   3.8227   1.2156  1120.15   82.257  842.993  162.600 277.1611 182.2224 
1 1 1  -28    8    8 o  478.878   98.997   1.1438   0.4218   1.4929   0.5931   0.7865   0.6001  539.936  122.216  401.998  136.199 137.9377 182.9949 
1 1 1  -28    8    9 o  423.132  107.133   0.9006   0.4175   1.0493   0.5894   0.7508   0.5915  453.138  132.794  396.249  135.224 56.88876 189.5254 
1 1 1  -28    8   10 o  660.185  100.327   2.1331   0.5903   1.5422   1.0759   2.3876   0.7060  543.597  182.381  693.265  114.688 -149.6683 215.4442 
1 1 1  -28    8   11 o  253.854  107.314   0.0538   0.4315  -0.2670   0.5540   0.5486   0.6881  247.817  112.372  376.540  143.363 -128.7236 182.1550 
1 1 1  -28    8   12 o  381.797  113.824   0.7136   0.4300   0.7583   0.6347   0.6757   0.5846  405.397  140.004  385.997  134.308 19.39981 194.0101 
1 1 1  -28    8   13 o  469.511   95.037   1.0797   0.3965   1.3564   0.6843   0.9399   0.4865  517.235  140.254  434.601  118.420 82.63403 183.5606 
1 1 1  -28    8   14 o  1053.76   64.039   5.1942   0.6180   3.6290   1.1151   5.8881   0.7424  848.890  148.150  1119.68   72.451 -270.7872 164.9166 
1 1 1  -28    8   15 o  575.866   95.200   1.6072   0.4868   2.5704   1.0423   1.3384   0.5506  705.625  163.693  518.420  118.060 187.2045 201.8254 
1 1 1  -28    8   16 o  434.788  104.660   0.9348   0.4137   2.2380   0.7558   0.3773   0.4943  670.630  127.124  321.429  121.719 349.2010 176.0002 
1 1 1  -28    8   17 o  478.770  107.440   1.1357   0.4617   0.6338   0.7472   1.4456   0.5872  398.923  149.971  537.510  121.569 -138.5874 193.0551 
1 1 1  -28    8   18 o  320.820  119.627   0.3990   0.4736  -0.2597   0.6913   0.9815   0.6500  282.325  126.998  445.986  141.257 -163.6612 189.9529 
1 1 1  -28    8   19 f  388.318  129.019   0.7181   0.5386   1.3840   0.7858   0.1280   0.7397  517.942  153.742  330.627  140.179 187.3156 208.0544 
1 1 1  -28    8   20 o  460.620  122.235   1.0787   0.5267   1.3937   0.8063   0.8442   0.6956  516.692  156.278  421.155  146.500 95.53745 214.2078 
1 1 1  -28    8   21 f  212.210   99.534  -0.4515   0.4911   0.1256   0.8585  -0.7322   0.5987  347.517  149.273  219.838  105.076 127.6789 182.5466 
1 1 1  -28    8   22 o  391.521  172.609   0.0522   1.2125   0.0000   0.0000   0.0522   1.2125  ?   ?   391.521  172.609 0.000000 172.6088 
1 1 1  -28   10    1 o  583.369   76.436   1.6556   0.4004   1.3646   0.5549   1.9717   0.5784  509.702  120.263  624.028  104.416 -114.3257 159.2671 
1 1 1  -28   10    2 o  329.588  105.664   0.5362   0.3629   0.4587   0.4987   0.6234   0.5289  327.612  122.646  360.806  127.588 -33.19449 176.9771 
1 1 1  -28   10    3 o  869.525   59.345   3.5758   0.4720   4.2500   0.6786   2.9440   0.6569  938.630   79.308  772.550   94.375 166.0799 123.2738 
1 1 1  -28   10    4 o  766.418   67.228   2.7997   0.4693   2.8663   0.6807   2.7393   0.6480  760.356   99.694  744.566   96.869 15.78992 139.0051 
1 1 1  -28   10    5 o  1603.97   49.249   12.010   0.7269   12.775   1.0602   11.332   0.9985  1642.07   70.167  1546.54   70.165 95.53052 99.22982 
1 1 1  -28   10    6 o  674.964   77.242   2.1921   0.4711   2.6486   0.6991   1.8125   0.6376  728.938  107.457  594.759  120.624 134.1791 161.5459 
1 1 1  -28   10    7 o  1063.54   69.148   5.3572   0.6730   5.6397   0.7944   4.6392   1.2667  1086.13   80.056  940.712  151.481 145.4153 171.3344 
1 1 1  -28   10    8 o  561.572   89.662   1.5412   0.4477   1.9079   0.6554   1.2203   0.6131  613.521  120.393  485.706  133.191 127.8157 179.5389 
1 1 1  -28   10    9 o  515.847   94.361   1.3090   0.4314   1.1367   0.5887   1.5088   0.6340  471.202  131.024  542.592  128.894 -71.39038 183.7959 
1 1 1  -28   10   10 o  475.906  119.695   1.1448   0.5237   2.1714   1.0047   0.7618   0.6136  638.596  168.522  402.019  137.719 236.5772 217.6378 
1 1 1  -28   10   11 o  801.098   89.508   3.0771   0.6485   3.0356   0.7551   3.1937   1.2662  789.055  106.737  772.918  181.183 16.13690 210.2856 
1 1 1  -28   10   12 o  331.262  125.751   0.4059   0.5284   0.3512   0.6174   0.5555   1.0214  337.956  133.782  422.953  170.497 -84.99673 216.7187 
1 1 1  -28   10   13 o  479.022  109.257   1.1396   0.4709   0.1167   0.9292   1.4932   0.5463  365.170  156.033  548.969  111.937 -183.7990 192.0319 
1 1 1  -28   10   14 o  1147.52   62.881   6.1570   0.6614   5.6857   1.2439   6.3428   0.7810  1075.89  128.170  1161.41   73.459 -85.51685 147.7290 
1 1 1  -28   10   15 o  1382.35   54.805   8.8815   0.6971   8.7356   1.1246   8.9725   0.8884  1356.33   90.631  1383.31   70.021 -26.98193 114.5292 
1 1 1  -28   10   16 o  962.556   64.819   4.3442   0.5708   5.6243   0.9985   3.7229   0.6956  1082.04  101.468  884.082   86.623 197.9553 133.4136 
1 1 1  -28   10   17 o  981.560   72.334   4.5423   0.6487   4.9233   0.9995   4.2650   0.8527  1006.95  109.644  940.684  100.051 66.26422 148.4321 
1 1 1  -28   10   18 o  1002.03   71.495   4.7378   0.6549   4.3417   1.0463   4.9930   0.8397  935.714  124.619  1021.36   90.276 -85.64728 153.8815 
1 1 1  -28   10   19 o  380.418  123.083   0.7027   0.4915   1.1718   0.8300   0.4494   0.6100  481.126  160.180  348.567  134.419 132.5595 209.1076 
1 1 1  -28   10   20 o  264.121  116.746  -0.1024   0.5582  -0.6595   0.7949   0.4397   0.7841  270.291  126.730  370.708  149.402 -100.4171 195.9119 
1 1 1  -28   10   21 o  583.171  121.801   1.7432   0.6325   3.3396   1.1292   1.0133   0.7635  787.515  161.253  447.948  153.625 339.5669 222.7175 
1 1 1  -28   12    1 o  257.549   98.423   0.2449   0.3251   0.4458   0.4649   0.0528   0.4547  321.002  118.759  255.094  109.077 65.90854 161.2497 
1 1 1  -28   12    2 o  835.927   57.663   3.3006   0.4408   3.3564   0.6113   3.2402   0.6363  832.806   80.787  815.456   86.101 17.34967 118.0677 
1 1 1  -28   12    3 o  457.595   93.186   1.0486   0.3790   0.5642   0.5569   1.4667   0.5174  354.607  130.186  536.754  108.484 -182.1474 169.4610 
1 1 1  -28   12    4 o  972.781   55.348   4.4487   0.4934   3.6114   0.6754   5.4069   0.7225  862.908   86.211  1063.97   74.265 -201.0618 113.7876 
1 1 1  -28   12    5 o  738.889   64.767   2.5908   0.4359   3.1387   0.6404   2.1179   0.5950  804.027   87.999  652.554  102.468 151.4733 135.0684 
1 1 1  -28   12    6 o  203.284   91.585  -0.1527   0.3611   0.2043   0.5228  -0.4786   0.4995  294.267  120.723  211.801   99.671 82.46523 156.5517 
1 1 1  -28   12    7 o  1485.84   50.793   10.290   0.6945   9.4757   0.9555   11.202   1.0111  1414.03   73.688  1540.67   71.323 -126.6471 102.5519 
1 1 1  -28   12    8 o  386.160  125.310   0.7278   0.5092   0.7858   0.5871   0.5518   1.0230  402.464  134.724  416.095  169.576 -13.63123 216.5794 
1 1 1  -28   12    9 o  329.637  101.799   0.5250   0.3398   1.1061   0.6057   0.2582   0.4105  465.682  134.091  281.723  109.818 183.9597 173.3213 
1 1 1  -28   12   10 o  858.410   58.604   3.4532   0.4601   3.1080   0.7648   3.6490   0.5760  797.361  106.936  878.565   71.884 -81.20428 128.8510 
1 1 1  -28   12   11 o  934.994  100.180   4.2203   0.8485   0.0000   0.0000   4.2203   0.8485  ?   ?   934.994  100.180 0.000000 100.1798 
1 1 1  -28   12   12 o  659.919   79.861   2.0788   0.4751   1.2588   0.9242   2.3733   0.5538  503.048  169.037  703.309   87.469 -200.2611 190.3273 
1 1 1  -28   12   13 o  1397.06   51.889   9.0687   0.6670   9.0785   1.0670   9.0624   0.8546  1384.46   84.157  1392.12   66.717 -7.666748 107.3944 
1 1 1  -28   12   14 o  956.821   61.306   4.2871   0.5369   5.3772   0.9460   3.7691   0.6521  1058.37   98.259  891.198   80.389 167.1725 126.9536 
1 1 1  -28   12   15 o  693.184   79.040   2.2897   0.4951   1.5091   0.7711   2.8374   0.6459  541.145  149.776  767.723   93.347 -226.5778 176.4837 
1 1 1  -28   12   16 o  523.008  156.233   1.4122   0.8095   1.4122   0.8095   0.0000   0.0000  523.008  156.233  ?   ?  0.000000 156.2327 
1 1 1  -28   12   17 o  875.570  105.245   3.7384   0.8309   4.2111   0.9646   2.3785   1.6360  924.601  115.929  651.326  224.786 273.2755 252.9196 
1 1 1  -28   12   18 o  288.166  124.780   0.0004   0.6095  -0.1959   0.8135   0.2515   0.9203  310.771  138.928  371.325  156.833 -60.55383 209.5171 
1 1 1  -28   12   19 o  216.146   98.292  -0.2197   0.4277  -0.3083   0.5855  -0.1182   0.6264  249.711  114.111  277.887  123.208 -28.17621 167.9331 
1 1 1  -28   12   20 o  620.706  117.205   1.9602   0.6449   3.2083   0.9861   1.0276   0.8524  782.752  142.146  453.505  161.797 329.2470 215.3690 
1 1 1  -28   12   21 o  740.929  141.796   2.8945   0.9315   2.4848   1.2363   3.4324   1.4167  652.406  192.646  762.974  199.530 -110.5679 277.3532 
1 1 1  -28   14    1 o  1063.71   49.227   5.2901   0.4818   5.6552   0.6807   4.9235   0.6821  1089.91   68.215  1013.87   73.620 76.03729 100.3649 
1 1 1  -28   14    2 f  853.748   57.926   3.4401   0.4524   3.1462   0.6151   3.7862   0.6676  805.092   84.275  884.523   83.000 -79.43079 118.2847 
1 1 1  -28   14    3 o  519.616   82.805   1.3218   0.3826   1.3216   0.5402   1.3219   0.5421  505.841  118.185  505.755  118.544 0.8593750E-01 167.3925 
1 1 1  -28   14    4 o  1107.42   51.645   5.7298   0.5263   5.5849   0.7222   5.8939   0.7685  1082.94   72.900  1111.20   75.605 -28.25757 105.0263 
1 1 1  -28   14    5 o  458.094   92.289   1.0427   0.3756   1.1368   0.5432   0.9564   0.5199  469.060  123.974  431.621  124.206 37.43890 175.4900 
1 1 1  -28   14    6 f  657.602   74.131   2.0700   0.4407   1.3638   0.6075   2.8549   0.6404  513.159  128.841  765.903   92.762 -252.7442 158.7600 
1 1 1  -28   14    7 o  438.619   82.564   0.9420   0.3210   0.8761   0.5803   0.9711   0.3853  418.336  133.569  441.253   97.500 -22.91705 165.3688 
1 1 1  -28   14    8 o  423.443  105.746   0.9004   0.4108   1.2238   0.6995   0.7301   0.5075  486.431  145.203  386.597  125.074 99.83340 191.6437 
1 1 1  -28   14    9 f  459.188   92.025   1.0389   0.3753   0.2910   0.7421   1.2959   0.4350  348.483  143.499  513.015   95.671 -164.5313 172.4667 
1 1 1  -28   14   10 o  323.792  105.046   0.4949   0.3578   0.0255   0.7918   0.6153   0.4011  328.749  142.289  355.965  110.709 -27.21664 180.2846 
1 1 1  -28   14   11 o  748.197  102.172   2.7290   0.6850   1.8671   1.1797   3.1675   0.8414  590.650  190.644  800.041  117.825 -209.3904 224.1158 
1 1 1  -28   14   12 o  1271.19   51.786   7.5159   0.6057   7.9496   0.9840   7.2513   0.7687  1293.94   83.082  1242.19   67.501 51.75012 107.0469 
1 1 1  -28   14   13 o  1115.71   58.643   5.8229   0.5999   5.8000   0.9974   5.8358   0.7510  1096.66   99.939  1111.65   73.836 -14.99268 124.2557 
1 1 1  -28   14   14 o  437.702  119.974   0.9650   0.4976   1.0540   0.7709   0.9014   0.6515  461.696  154.385  429.456  141.856 32.24033 209.6611 
1 1 1  -28   14   15 f  764.718   83.475   2.8018   0.5778   2.0874   0.8728   3.3594   0.7710  631.144  152.080  829.982  103.184 -198.8379 183.7805 
1 1 1  -28   14   16 o  456.557  115.530   1.0560   0.4857   0.1076   0.7468   1.7514   0.6395  327.648  139.938  587.585  122.261 -259.9376 185.8240 
1 1 1  -28   14   17 f  598.513   90.343   1.7490   0.4821   1.6442   0.6797   1.8550   0.6838  563.020  133.266  601.242  127.549 -38.22186 184.4686 
1 1 1  -28   14   18 o  333.201  115.149   0.5146   0.4294   0.4243   0.5887   0.6172   0.6276  338.423  131.619  373.819  138.051 -35.39600 190.7398 
1 1 1  -28   14   19 o  219.162   99.409  -0.2002   0.4340   0.0873   0.6259  -0.4663   0.6022  298.362  127.791  238.844  111.436 59.51715 169.5537 
1 1 1  -28   14   20 o  499.823  185.342   1.3255   1.1336   1.2754   1.6536   1.3700   1.5571  517.845  213.826  521.369  210.391 -3.523987 299.9766 
1 1 1  -28   16    1 o  1261.52   46.070   7.4302   0.5348   6.7291   0.7736   8.0720   0.7401  1186.70   71.170  1307.43   61.521 -120.7281 94.07470 
1 1 1  -28   16    2 o  1418.42   45.982   9.3855   0.6002   9.0469   0.8754   9.6858   0.8244  1380.83   68.899  1432.59   62.536 -51.76123 93.04752 
1 1 1  -28   16    3 o  402.254   95.537   0.8158   0.3484   0.9744   0.4985   0.6645   0.4870  433.605  120.575  367.579  122.708 66.02631 172.0332 
1 1 1  -28   16    4 o  987.249   45.985   4.5406   0.4177   4.7165   0.7722   4.4678   0.4967  987.876   85.797  975.026   55.593 12.84973 102.2338 
1 1 1  -28   16    5 o  710.501   56.118   2.3778   0.3639   2.2098   0.6580   2.4518   0.4368  662.741  111.877  718.110   66.871 -55.36932 130.3387 
1 1 1  -28   16    6 o  562.893   68.812   1.5152   0.3490   0.5666   0.6576   1.8872   0.4118  369.978  140.325  627.774   72.621 -257.7964 158.0029 
1 1 1  -28   16    7 o  440.922   87.098   0.9585   0.3408   1.1085   0.6498   0.9016   0.4003  463.027  140.345  423.121  103.645 39.90610 174.4679 
1 1 1  -28   16    8 o  256.778   97.016   0.2422   0.3136   1.0743   0.5864  -0.0910   0.3711  457.261  132.008  214.920   95.083 242.3402 162.6860 
1 1 1  -28   16    9 o  379.202  107.504   0.7182   0.3923   0.3277   0.5819   1.0437   0.5312  324.897  129.477  452.169  123.969 -127.2730 179.2557 
1 1 1  -28   16   10 o  655.916   70.118   2.0464   0.4166   2.5741   0.7332   1.7947   0.5063  718.830  114.702  605.936   93.847 112.8940 148.2021 
1 1 1  -28   16   11 o  439.034  131.928   0.9772   0.5760   1.5289   1.1665   0.7993   0.6624  541.386  189.637  410.565  142.955 130.8207 237.4837 
1 1 1  -28   16   12 o  460.822  106.080   1.0656   0.4405   0.6269   0.7231   1.3244   0.5555  389.484  147.283  510.231  120.274 -120.7472 190.1530 
1 1 1  -28   16   13 o  1023.78   67.156   4.9454   0.6291   3.7472   0.9490   5.8849   0.8403  865.342  122.617  1110.17   82.856 -244.8265 147.9866 
1 1 1  -28   16   14 o  431.139  102.306   0.9329   0.3998   0.9785   0.5785   0.8913   0.5531  438.183  132.335  420.321  129.878 17.86169 185.4208 
1 1 1  -28   16   15 o  708.355   75.008   2.4006   0.4815   2.3585   0.6809   2.4427   0.6809  686.795  111.576  700.308  109.225 -13.51227 156.1383 
1 1 1  -28   16   16 o  364.140  112.795   0.6595   0.4169   1.1093   0.6308   0.3109   0.5554  461.129  137.949  315.602  126.253 145.5268 187.0019 
1 1 1  -28   16   17 o  373.086  115.791   0.7001   0.4391   0.3630   0.5983   1.0935   0.6463  329.078  131.240  456.026  140.316 -126.9483 192.1264 
1 1 1  -28   16   18 o  637.079   90.750   2.0012   0.5170   1.3431   0.7003   2.7894   0.7664  498.673  144.344  739.585  116.464 -240.9121 185.4696 
1 1 1  -28   16   19 o  382.137  177.053  -0.4625   1.4794  -0.4625   1.4794   0.0000   0.0000  382.137  177.053  ?   ?  0.000000 177.0525 
1 1 1  -28   18    1 o  631.154   41.862   1.8657   0.2417   1.5160   0.4097   2.0525   0.2994  554.217   82.880  659.807   49.682 -105.5902 96.62978 
1 1 1  -28   18    2 o  1511.43   33.968   10.599   0.4724   10.674   0.7890   10.558   0.5898  1505.27   56.962  1504.85   42.597 0.4256592 71.12809 
1 1 1  -28   18    3 o  520.574   57.294   1.2894   0.2699   1.1634   0.4622   1.3546   0.3325  475.694  108.049  529.600   69.940 -53.90680 128.7096 
1 1 1  -28   18    4 o  801.971   48.440   3.0151   0.3558   2.4357   0.6128   3.3098   0.4370  700.505   97.728  837.429   57.048 -136.9240 113.1605 
1 1 1  -28   18    5 o  685.378   55.433   2.2163   0.3466   2.0870   0.6055   2.2793   0.4227  644.602  105.760  691.113   67.321 -46.51105 125.3691 
1 1 1  -28   18    6 o  854.186   51.863   3.4231   0.4057   3.3757   0.7128   3.4458   0.4934  829.810   95.068  853.018   63.315 -23.20758 114.2226 
1 1 1  -28   18    7 o  148.305   71.692  -0.4579   0.2975  -0.9472   0.5335  -0.2369   0.3584  188.505   92.210  192.014   88.313 -3.508606 127.6786 
1 1 1  -28   18    8 o  890.189   56.518   3.7256   0.4605   4.2086   0.8011   3.4872   0.5629  928.946   95.055  855.343   72.190 73.60333 119.3606 
1 1 1  -28   18    9 o  911.081   65.779   3.9291   0.5477   4.4442   0.8462   3.5576   0.7186  953.729   97.808  854.918   92.840 98.81042 134.8545 
1 1 1  -28   18   10 o  303.957  108.351   0.4047   0.3822   1.0114   0.6837   0.1289   0.4610  444.619  145.251  269.733  112.258 174.8860 183.5743 
1 1 1  -28   18   11 o  908.928   68.222   3.9188   0.5664   4.6135   0.9044   3.4703   0.7266  968.895  103.018  843.041   95.339 125.8545 140.3647 
1 1 1  -28   18   12 o  633.506   72.149   1.9228   0.4131   1.8176   0.5662   2.0425   0.6040  602.416  106.017  639.223  106.422 -36.80731 150.2175 
1 1 1  -28   18   13 o  1166.73   52.956   6.3656   0.5685   5.8348   0.8050   6.8937   0.8030  1103.21   79.842  1203.55   72.854 -100.3354 108.0849 
1 1 1  -28   18   14 o  956.639   59.416   4.3172   0.5204   4.4294   0.7413   4.2081   0.7308  956.876   85.083  931.906   86.199 24.96973 121.1173 
1 1 1  -28   18   15 o  850.399   66.943   3.4436   0.5196   3.2058   0.7343   3.6821   0.7353  803.060  101.653  865.927   93.781 -62.86603 138.3045 
1 1 1  -28   18   16 o  482.519  104.455   1.1904   0.4503   1.6286   0.6651   0.8194   0.6119  552.206  132.571  401.711  137.534 150.4954 191.0257 
1 1 1  -28   18   17 o  285.612  114.008   0.2644   0.4519   0.2483   0.6360   0.2807   0.6421  316.111  131.738  321.200  132.984 -5.088989 187.1885 
1 1 1  -28   18   18 o  353.394  163.756  -0.4338   1.2661  -0.4338   1.2661   0.0000   0.0000  353.394  163.756  ?   ?  0.000000 163.7563 
1 1 1  -28   20    1 o  513.143  194.614   1.6673   1.2649   1.6673   1.2649   0.0000   0.0000  513.143  194.614  ?   ?  0.000000 194.6139 
1 1 1  -28   20    2 o  916.032   43.265   3.9240   0.3647   3.9250   0.5463   3.9232   0.4898  904.324   66.113  907.956   58.942 -3.632263 88.57234 
1 1 1  -28   20    3 o  381.902   69.644   0.7170   0.2357   1.2732   0.4436   0.4982   0.2783  498.620  100.162  314.308   90.992 184.3122 135.3222 
1 1 1  -28   20    4 o  571.729   57.333   1.5566   0.2976   1.1112   0.4986   1.8030   0.3709  458.854  117.551  612.146   66.930 -153.2916 135.2697 
1 1 1  -28   20    5 o  344.952   91.057   0.6019   0.2933   0.5249   0.5210   0.6377   0.3548  340.816  125.795  353.818  102.843 -13.00165 162.4837 
1 1 1  -28   20    6 o  652.765   63.656   2.0347   0.3775   2.1788   0.6420   1.9585   0.4667  653.242  110.758  632.841   82.077 20.40063 137.8547 
1 1 1  -28   20    7 o  267.552  101.232   0.2771   0.3417   0.5843   0.6248   0.1459   0.4082  363.412  137.035  257.729  106.311 105.6826 173.4370 
1 1 1  -28   20    8 o  298.879  103.711   0.4122   0.3485   0.6301   0.6409   0.3207   0.4152  372.716  139.128  289.925  111.136 82.79144 178.0668 
1 1 1  -28   20    9 o  251.134  106.259   0.0775   0.4237   1.1789   0.6994  -0.5607   0.5324  468.189  146.286  212.671  100.921 255.5183 177.7202 
1 1 1  -28   20   10 o  198.940   87.487  -0.0537   0.3097   0.0781   0.4516  -0.1707   0.4255  257.899  109.446  219.193   99.020 38.70605 147.5917 
1 1 1  -28   20   11 o  710.675   65.362   2.4110   0.4226   2.3279   0.6020   2.4917   0.5935  682.993   98.650  709.894   93.097 -26.90161 135.6429 
1 1 1  -28   20   12 o  493.142   99.682   1.2338   0.4368   0.6249   0.7018   1.6186   0.5580  376.901  144.484  560.547  112.097 -183.6459 182.8698 
1 1 1  -28   20   13 o  818.789   63.645   3.1948   0.4757   2.6329   0.6441   3.8695   0.7058  725.233   99.107  888.562   87.454 -163.3288 132.1756 
1 1 1  -28   20   14 o  781.694   68.073   2.9332   0.4848   2.5221   0.6788   3.3609   0.6925  702.672  108.477  822.956   93.084 -120.2844 142.9402 
1 1 1  -28   20   15 o  1276.25   55.575   7.6851   0.6527   7.4812   0.9176   7.8938   0.9285  1239.91   80.868  1274.89   79.544 -34.97400 113.4323 
1 1 1  -28   20   16 o  307.240  115.741   0.4054   0.4455   0.7374   0.6514   0.1136   0.6107  384.449  140.848  292.360  125.748 92.08868 188.8142 
1 1 1  -28   22    1 o  414.326  167.406   0.9707   0.9872   0.6907   1.1900   1.5886   1.7678  397.622  173.258  477.366  209.498 -79.74332 271.8595 
1 1 1  -28   22    2 o  302.283   74.251   0.4630   0.2050  -0.2293   1.2114   0.4834   0.2080  341.579  158.927  308.947   74.127 32.63202 175.3647 
1 1 1  -28   22    3 o  241.762   85.537   0.2645   0.2378   2.0051   1.3313   0.2071   0.2417  536.830  200.497  227.276   85.317 309.5540 217.8948 
1 1 1  -28   22    4 o  499.246   70.697   1.2238   0.3157  -1.1772   1.4104   1.3504   0.3239  324.639  156.730  525.763   68.587 -201.1236 171.0804 
1 1 1  -28   22    5 o  696.472   61.928   2.3296   0.3927   4.8622   1.6859   2.1842   0.4038  841.958  216.419  672.275   66.140 169.6827 226.3001 
1 1 1  -28   22    6 o  859.418   53.016   3.4985   0.4172   3.8968   0.8754   3.3814   0.4746  866.457  112.443  840.574   61.790 25.88287 128.3024 
1 1 1  -28   22    7 o  299.593   93.387   0.4489   0.2852   0.0807   0.4235   0.7546   0.3859  248.410  105.719  379.725  106.261 -131.3143 149.8932 
1 1 1  -28   22    8 o  868.253   51.306   3.5610   0.4081   4.4898   0.6259   2.8741   0.5382  964.189   71.042  766.994   77.317 197.1945 104.9992 
1 1 1  -28   22    9 o  711.461   79.923   2.4857   0.5142   2.8252   0.8010   2.2478   0.6706  729.360  123.770  654.721  115.534 74.63983 169.3134 
1 1 1  -28   22   10 o  549.584   76.787   1.4861   0.3777   1.8983   0.5771   1.1771   0.4996  605.287  107.553  469.779  116.214 135.5080 158.3454 
1 1 1  -28   22   11 f  408.501  105.230   0.8754   0.3980   0.2552   0.5441   1.5890   0.5836  297.308  122.699  544.935  119.672 -247.6267 171.3954 
1 1 1  -28   22   12 o  570.013   85.090   1.6236   0.4326   1.4070   0.6146   1.8363   0.6091  504.376  131.188  587.926  116.707 -83.55008 175.5872 
1 1 1  -28   22   13 o  360.132  111.067   0.6803   0.4047   0.6342   0.5741   0.7259   0.5705  358.428  132.094  374.180  132.487 -15.75180 187.0875 
1 1 1  -28   22   14 o  906.665   65.283   3.9591   0.5410   3.0926   0.7417   4.9440   0.7908  772.289  107.270  996.952   87.080 -224.6633 138.1659 
1 1 1  -28   24    1 o  506.249  188.668   2.1216   1.1776   2.5241   1.4986   1.4719   1.9038  512.837  206.594  428.843  199.432 83.99405 287.1485 
1 1 1  -28   24    2 o  298.467  141.814  -0.4255   1.0578  -1.1336   1.3846   0.5672   1.6395  302.959  148.273  391.580  183.088 -88.62073 235.5971 
1 1 1  -28   24    3 o  349.678   79.296   0.6330   0.2493  -1.4075   1.4453   0.6956   0.2531  303.251  149.042  367.877   77.219 -64.62631 167.8573 
1 1 1  -28   24    4 o  336.303   90.053   0.5971   0.2842  -1.8627   1.5974   0.6775   0.2888  307.276  152.079  359.007   88.095 -51.73120 175.7520 
1 1 1  -28   24    5 o  185.632   83.362  -0.0852   0.2964   0.8715   1.6244  -0.1182   0.3015  424.720  192.521  182.754   82.882 241.9655 209.6040 
1 1 1  -28   24    6 o  167.146   77.368  -0.1884   0.2815   0.1671   0.4906  -0.3629   0.3437  269.143  114.139  169.656   80.676 99.48674 139.7721 
1 1 1  -28   24    7 o  468.711   86.248   1.1277   0.3583   0.9851   0.6325   1.1951   0.4347  412.256  139.832  473.162  102.792 -60.90646 173.5487 
1 1 1  -28   24    8 o  550.263   82.084   1.5296   0.4029   1.1677   0.6823   1.7234   0.4992  443.132  145.118  574.449   97.961 -131.3170 175.0876 
1 1 1  -28   24    9 o  556.679  122.092   1.7214   0.6082   3.5055   1.7740   1.4838   0.6474  634.191  232.430  504.958  136.206 129.2328 269.3989 
1 1 1  -28   24   10 o  558.680   79.305   1.5663   0.3962   1.5437   0.6233   1.5817   0.5133  519.906  130.491  544.482  106.272 -24.57666 168.2909 
1 1 1  -28   24   11 o  669.535  104.983   2.3659   0.6255   1.7051   0.8015   3.3953   1.0004  525.602  155.088  759.591  148.451 -233.9897 214.6859 
1 1 1  -28   24   12 o  249.300  107.633   0.0730   0.4508   0.0254   0.8600   0.0911   0.5294  313.828  141.365  267.491  116.058 46.33694 182.9032 
1 1 1  -28   24   13 o  342.430  167.879  -1.5295   1.7981  -1.5295   1.7981   0.0000   0.0000  342.430  167.879  ?   ?  0.000000 167.8793 
1 1 1  -28   26    1 o  408.390  196.361   2.2257   2.1609   0.0000   0.0000   2.2257   2.1609  ?   ?   408.390  196.361 0.000000 196.3607 
1 1 1  -28   26    2 o  712.192   69.602   2.5787   0.4503   3.6740   1.8197   2.5073   0.4648  519.661  220.067  698.563   73.400 -178.9020 231.9849 
1 1 1  -28   26    3 o  707.724   58.940   2.4700   0.3803   1.9485   1.7849   2.4948   0.3893  430.380  197.621  710.335   60.122 -279.9554 206.5644 
1 1 1  -28   26    4 o  399.137  101.135   0.8969   0.3719   0.8157   0.4835   1.0145   0.5819  367.707  122.247  399.073  134.130 -31.36600 181.4800 
1 1 1  -28   26    5 o  215.995   87.931   0.1489   0.2747  -0.2925   0.4932   0.3473   0.3307  212.653   99.745  267.521   99.929 -54.86816 141.1904 
1 1 1  -28   26    6 o  245.156   94.465   0.2596   0.3011   0.3384   0.5342   0.2229   0.3644  291.196  120.991  248.708  101.269 42.48735 157.7791 
1 1 1  -28   26    7 o  213.292   91.530   0.0642   0.3222   0.5158   0.5902  -0.1276   0.3846  322.904  129.803  203.550   92.811 119.3531 159.5704 
1 1 1  -28   26    8 o  303.047  113.245   0.4666   0.4248  -1.0787   1.6821   0.5719   0.4391  328.392  161.274  324.572  116.085 3.820313 198.7081 
1 1 1  -28   26    9 o  663.451  252.539   5.1463   2.1347   5.1463   2.1347   0.0000   0.0000  663.451  252.539  ?   ?  0.000000 252.5386 
1 1 1  -27    1    1 o  656.510   82.446   2.1149   0.4871   1.8572   0.6071   2.5807   0.8161  598.008  114.490  695.203  132.405 -97.19580 175.0401 
1 1 1  -27    1    2 o  298.867  112.119   0.3715   0.4172  -0.0497   0.5241   1.1000   0.6893  257.668  113.547  451.361  145.729 -193.6926 184.7427 
1 1 1  -27    1    3 o  611.766   87.739   1.8463   0.4798   1.6586   0.5878   2.2208   0.8304  565.284  116.864  638.983  144.608 -73.69922 185.9265 
1 1 1  -27    1    4 o  614.519   75.859   1.8289   0.4198   1.5183   0.6021   2.1228   0.5857  537.821  124.185  651.011  101.050 -113.1899 160.1031 
1 1 1  -27    1    5 o  900.127   67.823   3.8581   0.5576   3.0507   0.9257   4.3180   0.6986  761.470  137.153  945.885   81.051 -184.4145 159.3112 
1 1 1  -27    1    6 o  810.555   72.018   3.1408   0.5315   4.5405   1.0300   2.6328   0.6206  946.238  121.076  731.737   94.363 214.5007 153.5048 
1 1 1  -27    1    7 o  263.499  104.005   0.2166   0.3722   0.1120   0.5213   0.3253   0.5315  280.237  118.180  313.219  124.083 -32.98141 171.3566 
1 1 1  -27    1    8 o  280.595  105.349   0.3052   0.3685   0.5136   0.5267   0.1053   0.5158  344.621  126.590  278.722  117.548 65.89941 172.7504 
1 1 1  -27    1    9 o  377.273  108.020   0.7137   0.3941   0.0697   0.5446   1.4217   0.5710  281.056  119.757  527.035  120.384 -245.9789 169.8060 
1 1 1  -27    1   10 o  410.152  104.580   0.8455   0.3959   0.4984   0.5450   1.2334   0.5761  346.050  128.473  489.775  126.825 -143.7248 180.5260 
1 1 1  -27    1   11 o  899.920   64.863   3.8160   0.5335   3.4832   0.7331   4.1906   0.7779  847.906   95.636  932.616   91.833 -84.71039 132.5883 
1 1 1  -27    1   12 o  975.041   64.222   4.4677   0.5730   4.3506   0.8058   4.5874   0.8149  951.226   93.262  977.678   91.649 -26.45184 130.7569 
1 1 1  -27    1   13 o  1055.31   63.537   5.2199   0.6141   5.2961   0.8363   5.1308   0.9047  1054.67   86.952  1034.12   96.173 20.54724 129.6527 
1 1 1  -27    1   14 o  1067.51   63.808   5.3327   0.6239   4.7608   0.8562   5.9803   0.9110  998.416   94.312  1122.07   88.967 -123.6580 129.6530 
1 1 1  -27    1   15 o  1472.84   58.988   10.086   0.7994   9.0671   1.0942   11.252   1.1708  1385.78   86.240  1545.87   82.607 -160.0905 119.4207 
1 1 1  -27    1   16 o  255.979  109.433   0.0089   0.4575  -0.2094   0.6800   0.1894   0.6183  286.326  127.581  317.789  130.935 -31.46338 182.8139 
1 1 1  -27    1   17 o  624.630  114.491   1.9143   0.6338   2.0069   0.7978   1.7558   1.0436  631.562  140.859  586.232  177.906 45.32941 226.9178 
1 1 1  -27    1   18 o  1108.71  140.801   6.0623   1.4041   6.0623   1.4041   0.0000   0.0000  1108.71  140.801  ?   ?  0.000000 140.8007 
1 1 1  -27    1   19 o  1335.44   68.944   8.3494   0.8443   9.3574   1.1957   7.3471   1.1923  1404.23   93.068  1238.02  105.677 166.2126 140.8170 
1 1 1  -27    1   20 o  398.197  122.423   0.7739   0.4921   1.1996   0.8242   0.5380   0.6135  491.181  159.428  366.254  136.238 124.9279 209.7097 
1 1 1  -27    1   21 o  253.557  120.961  -0.9269   0.7856  -1.3764   1.0935  -0.4472   1.1294  291.276  139.955  350.812  159.604 -59.53650 212.2758 
1 1 1  -27    1   22 o  997.900   75.964   4.7270   0.6923   5.4707   1.1049   4.2464   0.8883  1053.47  115.897  932.357  105.388 121.1136 156.6485 
1 1 1  -27    1   23 o  681.158  115.129   2.3261   0.6959   2.3678   0.9477   2.2774   1.0251  665.859  157.197  646.171  170.086 19.68848 231.6030 
1 1 1  -27    3    1 o  1116.01   54.099   5.8616   0.5555   6.1835   0.7877   5.5429   0.7837  1131.72   76.081  1068.40   80.300 63.32227 110.6178 
1 1 1  -27    3    2 o  999.600   57.414   4.7247   0.5259   5.2231   0.7489   4.2397   0.7387  1038.99   78.918  930.429   87.298 108.5640 117.6820 
1 1 1  -27    3    3 o  812.641   62.545   3.1399   0.4641   3.3380   0.6523   2.9368   0.6604  825.859   87.158  769.739   95.276 56.12067 129.1280 
1 1 1  -27    3    4 f  668.286   69.577   2.1427   0.4216   2.6106   0.6157   1.7297   0.5785  726.700   94.293  580.972  112.273 145.7283 146.6168 
1 1 1  -27    3    5 o  444.273   92.586   0.9893   0.3662   0.7264   0.5141   1.2602   0.5218  381.109  126.022  493.233  116.782 -112.1241 171.8125 
1 1 1  -27    3    6 o  509.926   88.059   1.2837   0.3983   0.9076   0.5615   1.6643   0.5649  419.778  131.055  572.057  111.329 -152.2794 171.9576 
1 1 1  -27    3    7 o  1002.76   66.371   4.7644   0.6090   6.3789   1.1323   4.1073   0.7223  1133.96  109.892  921.560   86.180 212.4049 139.6538 
1 1 1  -27    3    8 o  637.979   86.862   1.9814   0.4967   1.8651   0.8295   2.0464   0.6201  589.341  151.981  638.837  109.423 -49.49622 187.2746 
1 1 1  -27    3    9 o  1128.34   55.824   5.9525   0.5796   5.9838   0.8339   5.9234   0.8061  1118.55   81.585  1114.10   79.149 4.447266 113.6692 
1 1 1  -27    3   10 o  821.415   66.688   3.1912   0.4997   2.8675   0.6821   3.5661   0.7341  765.863   99.119  857.315   94.635 -91.45129 137.0413 
1 1 1  -27    3   11 o  797.662   71.263   3.0169   0.5175   3.0728   0.7118   2.9541   0.7538  794.199   99.596  774.457  108.779 19.74200 147.4863 
1 1 1  -27    3   12 o  1220.37   66.609   6.9977   0.7451   7.0886   0.9121   6.8154   1.2921  1221.99   81.586  1176.78  121.049 45.20618 145.9770 
1 1 1  -27    3   13 o  1014.51   74.473   4.8576   0.6904   5.4623   0.8683   3.8183   1.1383  1070.54   88.949  866.916  148.007 203.6211 172.6788 
1 1 1  -27    3   14 o  783.003   78.579   2.9054   0.5585   3.0353   0.7864   2.7731   0.7933  789.403  111.363  751.140  118.726 38.26318 162.7808 
1 1 1  -27    3   15 o  992.747   68.668   4.6202   0.6234   5.7278   0.9222   3.6881   0.8460  1098.14   92.117  874.294  107.420 223.8490 141.5087 
1 1 1  -27    3   16 o  1099.70   66.277   5.6545   0.6675   5.5321   0.9370   5.7806   0.9512  1078.52   95.396  1102.92   94.647 -24.39978 134.3817 
1 1 1  -27    3   17 o  926.552   85.257   4.0647   0.7187   6.5118   1.4289   3.2358   0.8316  1151.73  137.546  816.527  113.773 335.2047 178.5029 
1 1 1  -27    3   18 f  1209.40   58.809   6.7993   0.6545   6.0319   1.0494   7.2877   0.8372  1123.15  102.672  1246.50   73.317 -123.3563 126.1623 
1 1 1  -27    3   19 o  767.141   89.698   2.8125   0.6212   2.7016   0.8915   2.9171   0.8662  734.380  136.962  767.899  127.023 -33.51892 186.7976 
1 1 1  -27    3   20 o  446.516  133.082   0.9945   0.5879   2.9130   0.8982  -0.4435   0.7776  762.838  132.778  285.954  130.985 476.8846 186.5127 
1 1 1  -27    3   21 o  250.288  117.001  -0.5701   0.6689   1.2823   1.3257  -1.2028   0.7748  525.898  199.290  235.587  114.314 290.3110 229.7475 
1 1 1  -27    3   22 o  1304.60   76.956   8.0725   0.9197   10.124   1.9449   7.4816   1.0438  1402.98  153.145  1248.07   91.527 154.9113 178.4113 
1 1 1  -27    3   23 o  405.836  142.718   0.7829   0.6610   0.9245   0.9293   0.6380   0.9403  447.936  167.469  413.683  164.673 34.25287 234.8683 
1 1 1  -27    5    1 o  708.434   68.058   2.4125   0.4382   3.1081   0.6372   1.7882   0.6036  793.695   88.762  585.383  116.157 208.3114 146.1890 
1 1 1  -27    5    2 o  608.178   93.787   1.8472   0.5080   1.9940   0.5837   1.3894   1.0311  626.417  104.988  496.679  177.867 129.7379 206.5408 
1 1 1  -27    5    3 o  1712.67   55.679   13.796   0.8775   13.894   1.0391   13.551   1.6382  1711.24   65.989  1645.01  108.844 66.22754 127.2855 
1 1 1  -27    5    4 o  485.840  109.840   1.2149   0.4795   0.9817   0.5686   1.7890   0.8922  432.142  131.359  563.972  162.834 -131.8299 209.2129 
1 1 1  -27    5    5 o  522.112   98.874   1.3700   0.4576   1.2714   0.5439   1.6091   0.8469  493.783  120.711  539.206  159.511 -45.42328 200.0370 
1 1 1  -27    5    6 o  485.973   91.751   1.1751   0.3952   1.1567   0.5571   1.1937   0.5609  470.307  126.126  477.743  125.841 -7.435547 178.1678 
1 1 1  -27    5    7 o  245.083  102.290   0.0943   0.3843   0.6972   0.5130  -0.6765   0.5801  376.927  125.939  217.828  103.924 159.0990 163.2814 
1 1 1  -27    5    8 o  442.834  128.792   1.0120   0.5563   0.9249   0.8507   1.0770   0.7353  439.684  160.981  457.155  150.699 -17.47107 220.5106 
1 1 1  -27    5    9 o  558.948  103.762   1.5588   0.5140   1.5535   0.8486   1.5618   0.6460  538.280  159.765  549.111  129.893 -10.83051 205.9052 
1 1 1  -27    5   10 o  754.309   71.714   2.7056   0.4918   2.8432   0.6809   2.5556   0.7110  762.492   99.418  717.025  111.372 45.46771 149.2910 
1 1 1  -27    5   11 o  719.437   79.411   2.4758   0.5169   3.5798   0.7615   1.5322   0.7040  858.843   98.119  543.578  139.922 315.2655 170.8962 
1 1 1  -27    5   12 o  962.843   66.963   4.3632   0.5896   3.8530   0.7947   4.9877   0.8793  892.888   98.361  1018.69   94.893 -125.8008 136.6731 
1 1 1  -27    5   13 o  352.088  117.170   0.5767   0.4441   0.2281   0.6046   0.9855   0.6546  318.104  130.083  446.800  141.783 -128.6962 192.4163 
1 1 1  -27    5   14 o  231.853  102.434  -0.1097   0.4292   0.7814   0.6291  -0.8862   0.5872  410.066  139.448  209.022  100.964 201.0438 172.1613 
1 1 1  -27    5   15 o  778.753   80.097   2.8730   0.5658   2.5820   0.7853   3.1871   0.8159  724.162  122.197  809.961  112.507 -85.79889 166.1020 
1 1 1  -27    5   16 o  310.488  114.267   0.3771   0.4294   0.2904   0.8085   0.4112   0.5068  365.236  150.014  330.156  123.628 35.07941 194.3914 
1 1 1  -27    5   17 o  1029.29   66.083   4.9574   0.6226   6.5307   1.3160   4.5038   0.7067  1158.67  125.430  977.221   79.271 181.4527 148.3801 
1 1 1  -27    5   18 o  1020.42   62.345   4.8662   0.5826   3.7258   0.8799   5.7561   0.7774  876.815  111.593  1105.84   76.872 -229.0308 135.5073 
1 1 1  -27    5   19 o  286.013  118.526   0.1354   0.5107  -0.0362   0.7702   0.2700   0.6823  321.265  139.691  339.110  138.378 -17.84485 196.6268 
1 1 1  -27    5   20 o  974.643   78.975   4.5006   0.7022   4.0331   1.0106   4.9369   0.9764  903.001  124.976  1009.47  106.730 -106.4737 164.3478 
1 1 1  -27    5   21 o  612.526  105.268   1.8518   0.5719   2.3534   0.9483   1.5649   0.7170  669.125  156.757  549.987  141.018 119.1376 210.8528 
1 1 1  -27    5   22 o  785.129  125.521   3.1108   0.8763   3.4682   1.5672   2.9483   1.0569  771.173  213.547  745.049  159.012 26.12415 266.2461 
1 1 1  -27    5   23 o  760.121  138.670   2.9918   0.9342   3.5407   1.6920   2.7511   1.1204  763.665  225.328  706.973  173.521 56.69226 284.3983 
1 1 1  -27    7    1 o  340.558  115.917   0.5705   0.4347   0.5845   0.4891   0.5179   0.9485  347.688  122.712  386.753  160.999 -39.06528 202.4320 
1 1 1  -27    7    2 o  906.909   70.867   3.9485   0.5867   4.0504   0.6663   3.5967   1.2376  913.431   80.085  787.741  175.259 125.6904 192.6901 
1 1 1  -27    7    3 o  908.670   63.841   3.9278   0.5304   4.3201   0.6963   3.3855   0.8187  943.994   80.943  816.251  111.947 127.7421 138.1447 
1 1 1  -27    7    4 o  1293.93   64.557   7.9237   0.7686   8.6589   1.1303   7.2911   1.0484  1330.27   92.920  1219.26   94.173 111.0106 132.2980 
1 1 1  -27    7    5 o  489.069  110.069   1.2275   0.4834   1.3472   0.5592   0.8735   0.9614  508.167  121.276  435.260  168.502 72.90698 207.6073 
1 1 1  -27    7    6 o  1286.65   62.894   7.8035   0.7446   8.1623   0.9139   7.0949   1.2844  1306.54   76.349  1186.15  119.291 120.3872 141.6321 
1 1 1  -27    7    7 o  842.361   64.088   3.3611   0.4930   3.3213   0.6922   3.4021   0.7024  824.651   92.834  834.605   93.049 -9.953796 131.4390 
1 1 1  -27    7    8 o  563.295   85.835   1.5493   0.4308   0.8430   0.5838   2.3941   0.6385  410.080  134.228  695.108  102.939 -285.0276 169.1555 
1 1 1  -27    7    9 o  949.318   72.299   4.2812   0.6268   4.6753   1.1046   4.0941   0.7612  961.769  127.993  919.784   91.143 41.98505 157.1278 
1 1 1  -27    7   10 o  452.566  120.759   1.0438   0.5122   1.2121   0.8429   0.9453   0.6450  485.992  161.400  434.293  141.034 51.69919 214.3377 
1 1 1  -27    7   11 f  655.851   86.508   2.0755   0.5093   2.0642   0.7035   2.0879   0.7384  639.416  124.043  640.727  129.687 -1.310730 179.4585 
1 1 1  -27    7   12 o  593.131   85.718   1.6970   0.4543   0.9892   0.6171   2.5344   0.6712  444.775  137.145  720.274  104.304 -275.4990 172.3024 
1 1 1  -27    7   13 o  191.441   90.709  -0.4869   0.4270  -1.1569   0.5689   0.3772   0.6461  188.619   92.859  346.683  136.972 -158.0634 165.4817 
1 1 1  -27    7   14 o  630.044   73.329   1.8821   0.4172   1.1258   0.6336   2.4608   0.5542  474.082  137.327  718.078   85.566 -243.9961 161.8034 
1 1 1  -27    7   15 o  1574.04   55.839   11.510   0.8088   11.477   1.5650   11.522   0.9447  1546.64  110.698  1572.09   65.304 -25.44580 128.5251 
1 1 1  -27    7   16 o  671.770   87.472   2.1580   0.5279   1.5310   0.9373   2.4493   0.6388  549.227  168.966  712.398  100.225 -163.1703 196.4550 
1 1 1  -27    7   17 o  1157.65   59.724   6.2510   0.6340   6.7759   1.0610   5.9595   0.7907  1192.22   97.571  1125.24   76.829 66.97839 124.1883 
1 1 1  -27    7   18 o  569.378   98.710   1.5796   0.4984   2.8661   0.8942   0.9998   0.6003  757.996  133.062  448.893  134.639 309.1028 189.2963 
1 1 1  -27    7   19 o  641.940  105.654   2.0180   0.6024   1.3417   0.8567   2.6793   0.8472  514.052  162.096  731.575  130.639 -217.5234 208.1866 
1 1 1  -27    7   20 o  1294.57   70.408   7.8886   0.8356   9.3262   1.2605   6.7618   1.1160  1393.04   98.981  1182.72  103.586 210.3209 143.2739 
1 1 1  -27    7   21 o  761.752   94.439   2.8170   0.6478   3.1708   0.9812   2.5436   0.8624  785.707  140.887  703.281  138.197 82.42621 197.3517 
1 1 1  -27    7   22 f  719.706  130.204   2.6515   0.8305   4.4203   1.5364   1.9212   0.9872  886.175  193.808  592.355  171.363 293.8197 258.7027 
1 1 1  -27    9    1 o  208.811   90.356  -0.0039   0.3191   0.1747   0.4446  -0.1938   0.4584  268.991  110.953  224.524  101.968 44.46619 150.6913 
1 1 1  -27    9    2 o  758.034   61.266   2.7346   0.4237   2.6847   0.5883   2.7884   0.6107  738.154   88.369  751.465   90.118 -13.31097 126.2154 
1 1 1  -27    9    3 o  677.807   67.100   2.2014   0.4130   2.6675   0.5928   1.7619   0.5757  736.081   89.361  585.901  110.841 150.1801 142.3766 
1 1 1  -27    9    4 o  662.202   70.791   2.1081   0.4247   2.9538   0.6174   1.3488   0.5850  776.695   87.943  505.238  126.206 271.4560 153.8242 
1 1 1  -27    9    5 o  599.707   76.177   1.7414   0.4109   2.2355   0.6168   1.3471   0.5509  667.752  103.747  508.779  119.683 158.9733 158.3905 
1 1 1  -27    9    6 o  1633.66   58.287   12.538   0.8762   13.747   1.0687   10.057   1.5303  1704.23   68.149  1414.29  118.691 289.9384 136.8645 
1 1 1  -27    9    7 o  1448.91   61.204   9.8703   0.8160   9.6128   0.9601   10.540   1.5485  1421.35   73.663  1453.12  116.794 -31.77502 138.0830 
1 1 1  -27    9    8 o  756.902   70.318   2.7285   0.4842   2.8793   0.6745   2.5682   0.6954  765.978   97.935  717.755  108.692 48.22314 146.3056 
1 1 1  -27    9    9 o  864.219   65.407   3.5297   0.5163   3.2046   0.7091   3.8964   0.7531  810.463   97.017  896.752   92.603 -86.28857 134.1176 
1 1 1  -27    9   10 o  256.421  108.222   0.0681   0.4377   0.9719   0.7869  -0.3368   0.5267  446.952  155.800  232.772  107.055 214.1798 189.0356 
1 1 1  -27    9   11 o  900.870   65.205   3.8203   0.5369   3.6787   0.7444   3.9738   0.7750  873.355   94.122  908.051   94.114 -34.69604 133.1032 
1 1 1  -27    9   12 o  900.599   57.111   3.7929   0.4708   3.2409   0.7283   4.1892   0.6171  818.925   98.639  942.394   71.704 -123.4686 121.9467 
1 1 1  -27    9   13 o  1271.76   60.600   7.5375   0.7092   7.8229   0.9904   7.2371   1.0159  1285.47   84.193  1233.67   90.118 51.80298 123.3278 
1 1 1  -27    9   14 o  928.893   69.789   4.0556   0.5922   5.2403   1.2618   3.7209   0.6706  1028.51  136.716  885.528   83.275 142.9850 160.0810 
1 1 1  -27    9   15 o  383.314  117.831   0.7110   0.4559   0.7138   0.9226   0.7102   0.5244  431.417  165.590  387.975  127.231 43.44226 208.8248 
1 1 1  -27    9   16 o  809.188   70.317   3.0831   0.5184   2.9020   0.8252   3.2012   0.6662  768.170  120.732  818.869   89.892 -50.69965 150.5217 
1 1 1  -27    9   17 o  1356.43   57.140   8.5590   0.7132   7.3196   1.0884   9.4916   0.9441  1238.60   96.250  1421.97   72.397 -183.3696 120.4379 
1 1 1  -27    9   18 o  404.646  121.516   0.8065   0.4888   0.5280   0.7449   1.0172   0.6477  382.517  148.252  452.409  140.681 -69.89224 204.3765 
1 1 1  -27    9   19 o  490.624  117.573   1.2123   0.5239   0.7021   0.8032   1.5901   0.6911  412.065  155.366  557.141  135.995 -145.0760 206.4785 
1 1 1  -27    9   20 o  974.443   91.008   4.5668   0.8066   5.1058   1.0650   3.8416   1.2352  1017.71  115.784  853.772  163.177 163.9423 200.0816 
1 1 1  -27    9   21 o  539.288  121.061   1.4871   0.5860   1.2877   0.9622   1.6047   0.7388  499.000  172.380  551.825  143.986 -52.82547 224.6040 
1 1 1  -27    9   22 o  408.253  145.737   0.7945   0.6917   0.2808   0.9727   1.3198   0.9837  377.491  160.430  500.908  174.227 -123.4179 236.8389 
1 1 1  -27   11    1 o  1115.85   49.508   5.8367   0.5083   6.1438   0.7150   5.5228   0.7228  1133.20   68.897  1071.18   73.785 62.01770 100.9508 
1 1 1  -27   11    2 o  1226.06   48.174   7.0353   0.5435   6.4420   0.7358   7.7477   0.8063  1160.98   69.189  1273.64   69.054 -112.6643 97.75280 
1 1 1  -27   11    3 o  1293.48   47.824   7.8232   0.5692   7.7492   0.8051   7.8973   0.8048  1274.73   68.896  1287.34   68.187 -12.61682 96.93354 
1 1 1  -27   11    4 o  679.696   66.427   2.2081   0.4101   2.0091   0.5869   2.3980   0.5734  631.130  104.727  697.425   91.567 -66.29480 139.1124 
1 1 1  -27   11    5 o  968.111   56.577   4.4152   0.5018   4.5946   0.7266   4.2516   0.6938  975.541   81.700  938.499   81.143 37.04187 115.1481 
1 1 1  -27   11    6 o  611.356   73.571   1.7989   0.4056   1.6340   0.5862   1.9502   0.5617  564.446  116.716  625.473  101.039 -61.02765 154.3747 
1 1 1  -27   11    7 o  914.836   59.997   3.9453   0.5023   3.2336   0.6965   4.7166   0.7250  813.099   94.870  991.613   80.141 -178.5142 124.1890 
1 1 1  -27   11    8 o  380.833  121.765   0.7175   0.4821   0.8475   0.5618   0.3542   0.9393  410.800  131.447  381.517  159.639 29.28293 206.7917 
1 1 1  -27   11    9 o  704.515   75.047   2.3708   0.4790   2.6627   0.6833   2.0888   0.6717  735.444  103.861  643.998  117.691 91.44586 156.9655 
1 1 1  -27   11   10 o  971.897   52.155   4.4110   0.4647   3.9900   0.7429   4.6817   0.5957  911.009   89.792  997.253   65.272 -86.24451 111.0088 
1 1 1  -27   11   11 o  1359.14   89.338   8.8090   1.1111   9.0816   1.5019   8.4793   1.6513  1360.40  121.248  1300.81  140.175 59.58752 185.3374 
1 1 1  -27   11   12 o  1273.54   72.382   7.6329   0.8447   8.0256   1.0111   6.7251   1.5372  1300.58   84.951  1155.12  148.026 145.4670 170.6700 
1 1 1  -27   11   13 o  1155.26   61.476   6.2402   0.6512   8.3254   1.3502   5.6082   0.7433  1311.40  112.996  1090.91   74.493 220.4951 135.3421 
1 1 1  -27   11   14 o  471.119  106.668   1.1007   0.4517   1.3305   0.7579   0.9742   0.5624  511.637  150.768  442.297  129.745 69.34018 198.9093 
1 1 1  -27   11   15 o  656.199   83.699   2.0595   0.4939   0.8153   0.7655   2.9467   0.6464  427.281  153.230  784.178   91.291 -356.8969 178.3636 
1 1 1  -27   11   16 o  415.340  108.819   0.8571   0.4209   0.3430   0.6410   1.2466   0.5580  340.949  135.888  497.892  122.606 -156.9433 183.0239 
1 1 1  -27   11   17 o  844.103   79.834   3.3847   0.6127   3.3876   0.8960   3.3821   0.8398  828.166  121.155  831.197  112.709 -3.030762 165.4741 
1 1 1  -27   11   18 o  529.551  113.255   1.4041   0.5352   0.8373   0.8244   1.8168   0.7036  432.788  158.470  597.247  131.574 -164.4588 205.9716 
1 1 1  -27   11   19 o  1383.45   56.757   8.9358   0.7225   10.175   1.0190   7.6833   1.0247  1466.10   75.792  1266.99   88.444 199.1094 116.4762 
1 1 1  -27   11   20 o  413.831  131.370   0.8606   0.5620   1.5955   0.8443   0.2761   0.7530  545.682  158.656  345.894  143.675 199.7884 214.0423 
1 1 1  -27   11   21 o  497.716  106.642   1.2531   0.4737   1.7406   0.7167   0.8749   0.6312  574.831  137.372  417.571  139.700 157.2602 195.9262 
1 1 1  -27   11   22 o  420.744  156.048   0.8329   0.8037   0.6135   1.0678   1.1196   1.2205  419.373  172.345  484.098  189.174 -64.72556 255.9099 
1 1 1  -27   13    1 o  1114.52   47.388   5.8092   0.4860   5.7818   0.6705   5.8395   0.7053  1101.48   66.470  1105.09   69.721 -3.611572 96.32924 
1 1 1  -27   13    2 o  736.232   60.319   2.5741   0.4050   3.4334   0.5909   1.8123   0.5563  843.175   77.009  597.755  104.973 245.4203 130.1913 
1 1 1  -27   13    3 o  488.996   84.736   1.1821   0.3675   1.3660   0.5065   0.9778   0.5339  515.704  110.090  431.760  126.344 83.94397 167.5791 
1 1 1  -27   13    4 o  602.792   68.857   1.7434   0.3751   1.1788   0.5186   2.3628   0.5431  475.987  118.782  695.201   86.798 -219.2144 147.1158 
1 1 1  -27   13    5 o  851.844   58.131   3.4231   0.4529   3.9239   0.6561   2.9673   0.6260  902.765   79.806  779.986   88.809 122.7790 119.3984 
1 1 1  -27   13    6 o  526.782   85.438   1.3603   0.4000   2.1403   0.5921   0.7055   0.5424  656.463  101.273  380.679  129.491 275.7845 164.3905 
1 1 1  -27   13    7 o  535.316   69.801   1.3741   0.3356   1.2976   0.5778   1.4131   0.4123  500.726  125.620  537.511   86.289 -36.78528 152.4010 
1 1 1  -27   13    8 o  566.380   79.860   1.5499   0.4046   2.1111   0.6611   1.2137   0.5117  648.270  115.048  488.460  115.634 159.8104 163.1172 
1 1 1  -27   13    9 o  1153.38   50.628   6.1932   0.5373   6.5636   0.8886   5.9797   0.6746  1173.23   82.845  1127.16   65.322 46.06531 105.5004 
1 1 1  -27   13   10 o  557.937   77.326   1.4947   0.3863   1.5010   0.6955   1.4919   0.4646  539.083  139.238  551.877   94.904 -12.79382 168.5045 
1 1 1  -27   13   11 o  1318.54   86.463   8.2737   1.0432   0.0000   0.0000   8.2737   1.0432  ?   ?   1318.54   86.463 0.000000 86.46328 
1 1 1  -27   13   12 o  675.271   75.443   2.1689   0.4608   1.4211   0.8914   2.4416   0.5382  525.724  165.291  714.438   83.445 -188.7144 185.1601 
1 1 1  -27   13   13 o  696.941   71.738   2.3009   0.4535   2.1239   0.7330   2.4106   0.5772  650.265  127.057  707.663   90.732 -57.39868 156.1271 
1 1 1  -27   13   14 o  276.070  106.875   0.2501   0.3868   0.5516   0.6613   0.0934   0.4768  373.886  140.981  271.228  113.630 102.6578 181.0734 
1 1 1  -27   13   15 o  274.169  109.400   0.2045   0.4159  -0.3032   0.6612   0.5370   0.5351  270.914  122.813  354.399  127.987 -83.48560 177.3806 
1 1 1  -27   13   16 o  774.077   98.785   2.9060   0.6876   2.9060   0.6876   0.0000   0.0000  774.077   98.785  ?   ?  0.000000 98.78475 
1 1 1  -27   13   17 o  619.089  108.413   1.8995   0.5951   2.0370   0.6557   1.2573   1.4175  638.583  115.850  526.087  204.340 112.4955 234.8959 
1 1 1  -27   13   18 o  976.556   67.330   4.5030   0.6013   5.2630   0.8224   3.6301   0.8814  1047.90   86.054  855.404  114.888 192.4948 143.5424 
1 1 1  -27   13   19 o  468.726  113.182   1.1195   0.4826   1.1876   0.6680   1.0451   0.6981  476.745  141.804  451.457  146.740 25.28812 204.0609 
1 1 1  -27   13   20 o  185.546   91.290  -1.0647   0.5470  -1.3715   0.7851  -0.7754   0.7625  226.621  111.068  253.925  120.578 -27.30434 163.9365 
1 1 1  -27   13   21 o  255.031  115.289  -0.2130   0.5780   0.3938   0.7753  -0.9721   0.8671  358.844  147.089  263.011  125.910 95.83322 193.6197 
1 1 1  -27   15    1 f  646.138   58.128   1.9806   0.3419   1.6559   0.4777   2.3217   0.4896  576.755   93.185  691.946   78.270 -115.1915 121.6949 
1 1 1  -27   15    2 o  559.007   66.774   1.4995   0.3367   1.3349   0.4485   1.7119   0.5096  515.127   98.202  584.975   98.151 -69.84839 138.8427 
1 1 1  -27   15    3 o  462.464   81.818   1.0526   0.3354   1.3173   0.4870   0.8138   0.4627  508.438  107.463  398.256  117.914 110.1823 159.5368 
1 1 1  -27   15    4 o  608.860   69.645   1.7767   0.3832   0.9923   0.5124   2.7716   0.5771  437.543  122.444  755.798   84.425 -318.2547 148.7286 
1 1 1  -27   15    5 o  668.513   54.460   2.1046   0.3321   1.8317   0.5685   2.2460   0.4092  604.285  106.111  687.311   65.489 -83.02576 124.6931 
1 1 1  -27   15    6 o  473.693   73.582   1.0856   0.3103   1.1285   0.5422   1.0648   0.3784  467.420  124.020  463.177   92.033 4.243195 154.4378 
1 1 1  -27   15    7 o  406.605   90.545   0.8215   0.3301   1.0036   0.6084   0.7456   0.3929  442.692  136.120  385.122  107.029 57.57022 173.1584 
1 1 1  -27   15    8 o  316.796   99.909   0.4825   0.3254   0.1994   0.6346   0.5835   0.3791  316.746  131.759  345.796  107.638 -29.04993 170.1363 
1 1 1  -27   15    9 o  395.185  108.748   0.7824   0.4079   2.2338   0.7908   0.2563   0.4761  659.736  134.811  294.431  117.184 365.3047 178.6231 
1 1 1  -27   15   10 o  731.981   68.852   2.5375   0.4583   3.2336   0.9474   2.3248   0.5237  799.093  133.557  695.698   83.467 103.3948 157.4931 
1 1 1  -27   15   11 f  720.178  101.058   2.5319   0.6513   3.7398   1.2552   2.0870   0.7618  841.288  168.032  639.375  133.785 201.9130 214.7864 
1 1 1  -27   15   12 o  970.987   59.312   4.4177   0.5274   3.8880   0.8340   4.7707   0.6808  894.277  103.251  1004.14   74.207 -109.8642 127.1508 
1 1 1  -27   15   13 o  291.833  108.988   0.3273   0.3934  -0.1377   0.6564   0.5879   0.4914  284.837  126.212  357.901  123.213 -73.06366 176.3832 
1 1 1  -27   15   14 o  553.108   85.305   1.4819   0.4202   1.3419   0.5540   1.6715   0.6448  515.122  119.235  573.785  125.606 -58.66302 173.1880 
1 1 1  -27   15   15 o  206.236   93.778  -0.2096   0.3892  -0.2353   0.5377  -0.1813   0.5642  245.877  111.173  258.131  115.524 -12.25439 160.3286 
1 1 1  -27   15   16 f  1195.24   55.904   6.6716   0.6148   7.2627   0.8833   6.1159   0.8564  1236.19   78.054  1131.72   82.810 104.4681 113.7978 
1 1 1  -27   15   17 o  305.767  114.568   0.3703   0.4354   0.0272   0.5958   0.7635   0.6378  287.043  123.831  400.294  140.227 -113.2512 187.0771 
1 1 1  -27   15   18 o  725.991   79.328   2.5392   0.5213   2.6396   0.7274   2.4332   0.7475  724.646  112.762  690.284  122.148 34.36224 166.2389 
1 1 1  -27   15   19 o  253.011  108.280   0.0422   0.4488   0.0678   0.6434   0.0180   0.6262  298.833  128.802  289.831  125.992 9.001740 180.1772 
1 1 1  -27   15   20 o  585.276  178.859   1.9834   1.0522   1.6856   1.4335   2.3313   1.5494  543.377  206.917  610.460  218.098 -67.08313 300.6347 
1 1 1  -27   17    1 o  198.902   81.495   0.0801   0.2379  -0.0656   0.3377   0.2236   0.3351  205.968   90.933  254.945   99.265 -48.97685 134.6192 
1 1 1  -27   17    2 o  408.810   64.385   0.8079   0.2342   0.3603   0.4438   0.9806   0.2757  302.254  115.124  449.860   68.788 -147.6066 134.1092 
1 1 1  -27   17    3 o  389.287   72.144   0.7414   0.2489   0.9033   0.4822   0.6826   0.2906  417.838  119.433  369.322   86.959 48.51617 147.7366 
1 1 1  -27   17    4 o  778.120   49.191   2.8378   0.3504   2.7336   0.6647   2.8779   0.4123  743.075   99.732  780.915   57.794 -37.83923 115.2674 
1 1 1  -27   17    5 o  531.601   65.792   1.3517   0.3150   0.9718   0.5938   1.5003   0.3715  433.843  134.663  557.716   74.237 -123.8733 153.7703 
1 1 1  -27   17    6 o  787.435   55.578   2.9156   0.4001   2.2462   0.7293   3.2039   0.4786  662.365  124.216  822.913   63.698 -160.5486 139.5964 
1 1 1  -27   17    7 o  543.277   72.719   1.4187   0.3544   2.1119   0.6668   1.1457   0.4184  646.614  116.344  479.072   98.211 167.5414 152.2539 
1 1 1  -27   17    8 o  257.971   97.809   0.2427   0.3194   0.2151   0.5746   0.2551   0.3843  306.696  126.274  274.419  106.450 32.27744 165.1566 
1 1 1  -27   17    9 o  430.520  100.165   0.9282   0.3893   2.3151   0.6585   0.1830   0.4827  682.725  108.453  283.653  116.144 399.0721 158.9068 
1 1 1  -27   17   10 o  1045.59   54.441   5.1157   0.5220   5.4606   0.9165   4.9501   0.6350  1062.81   94.703  1023.77   67.796 39.03473 116.4683 
1 1 1  -27   17   11 o  933.551   54.264   4.0797   0.4641   4.4707   0.6899   3.7564   0.6273  968.776   78.052  887.710   77.578 81.06580 110.0473 
1 1 1  -27   17   12 o  242.429  100.654   0.0943   0.3693   0.5719   0.6427  -0.1411   0.4513  370.906  139.156  232.342  103.698 138.5640 173.5443 
1 1 1  -27   17   13 o  441.392   99.531   0.9741   0.3946   1.6154   0.5600   0.3418   0.5561  567.049  111.306  322.190  127.145 244.8594 168.9814 
1 1 1  -27   17   14 o  297.890  108.361   0.3719   0.3846   0.7689   0.5653   0.0299   0.5247  396.330  132.198  271.571  116.675 124.7585 176.3223 
1 1 1  -27   17   15 o  718.117   72.717   2.4638   0.4739   2.3115   0.6850   2.6036   0.6563  677.849  113.854  726.574  100.886 -48.72485 152.1202 
1 1 1  -27   17   16 o  1160.01   57.794   6.3130   0.6169   6.5580   0.8923   6.0888   0.8538  1167.43   83.622  1125.03   83.060 42.39856 117.8631 
1 1 1  -27   17   17 o  372.270  116.421   0.6991   0.4429   0.9794   0.6457   0.4500   0.6087  433.860  141.124  342.563  133.667 91.29736 194.3784 
1 1 1  -27   17   18 o  378.990  119.377   0.7327   0.4647   0.7120   0.6283   0.7577   0.6906  384.409  138.707  396.580  145.072 -12.17123 200.7127 
1 1 1  -27   17   19 o  374.622  151.904   0.5197   0.8159   2.7897   1.5843  -0.2997   0.9519  649.922  221.302  318.099  145.417 331.8237 264.8035 
1 1 1  -27   19    1 f  657.698  167.078   2.5134   1.0131   3.7952   1.4118   1.1526   1.4547  782.618  196.371  481.341  199.799 301.2780 280.1447 
1 1 1  -27   19    2 o  556.068   53.187   1.4652   0.2688   2.0089   0.4418   1.1456   0.3388  643.022   76.144  482.373   79.060 160.6487 109.7654 
1 1 1  -27   19    3 o  328.613   76.802   0.5371   0.2281   0.7855   0.4250   0.4366   0.2703  390.245  112.312  297.592   90.581 92.65228 144.2876 
1 1 1  -27   19    4 o  189.462   80.021   0.0304   0.2396  -0.3314   0.4407   0.1822   0.2854  206.771   96.089  235.038   91.583 -28.26709 132.7425 
1 1 1  -27   19    5 o  1456.97   39.410   9.8647   0.5284   10.494   0.9139   9.5486   0.6476  1489.00   66.700  1429.46   49.231 59.54175 82.90086 
1 1 1  -27   19    6 o  712.554   56.507   2.3963   0.3675   2.8450   0.6716   2.2046   0.4390  758.640   98.528  678.165   71.425 80.47552 121.6931 
1 1 1  -27   19    7 o  756.819   56.962   2.7008   0.3938   3.0215   0.6883   2.5448   0.4801  783.293   97.614  729.034   72.531 54.25885 121.6114 
1 1 1  -27   19    8 o  162.145   77.424  -0.4090   0.3234  -1.4711   0.5761   0.0797   0.3908  174.198   87.042  244.457  102.668 -70.25903 134.5997 
1 1 1  -27   19    9 o  939.886   68.409   4.1938   0.5876   5.2418   0.8808   3.3533   0.7887  1038.23   93.185  821.698  106.846 216.5293 141.7730 
1 1 1  -27   19   10 o  263.991   99.807   0.2616   0.3320   0.9455   0.4678  -0.4327   0.4713  429.587  115.737  207.443   97.364 222.1440 151.2446 
1 1 1  -27   19   11 o  253.048  100.732   0.1856   0.3519  -0.3225   0.4592   0.9086   0.5477  214.050   98.985  421.016  129.105 -206.9661 162.6836 
1 1 1  -27   19   12 o  208.054   96.312  -0.3144   0.4364  -0.3365   0.5517  -0.2774   0.7132  237.554  109.371  280.126  127.208 -42.57210 167.7610 
1 1 1  -27   19   13 o  176.448   83.184  -0.3576   0.3508   0.1465   0.5148  -0.7943   0.4792  282.938  118.268  182.399   88.823 100.5388 147.9079 
1 1 1  -27   19   14 o  343.266  110.276   0.5816   0.3951   0.8106   0.5823   0.3863   0.5378  400.707  134.181  322.272  125.672 78.43481 183.8417 
1 1 1  -27   19   15 o  433.989  104.466   0.9651   0.4122   1.0480   0.5810   0.8810   0.5848  445.004  132.221  412.573  134.312 32.43021 188.4730 
1 1 1  -27   19   16 o  540.052   95.948   1.4677   0.4593   1.5637   0.6476   1.3705   0.6516  539.693  131.596  502.470  137.108 37.22278 190.0423 
1 1 1  -27   19   17 o  256.410  108.133   0.1036   0.4364   0.2994   0.6284  -0.0787   0.6066  320.079  131.952  271.878  120.858 48.20203 178.9359 
1 1 1  -27   19   18 o  432.836  193.557   0.4045   1.5804   0.4045   1.5804   0.0000   0.0000  432.836  193.557  ?   ?  0.000000 193.5574 
1 1 1  -27   21    1 f  426.400  180.866   0.8072   1.2323   0.8072   1.2323   0.0000   0.0000  426.400  180.866  ?   ?  0.000000 180.8663 
1 1 1  -27   21    3 o  1191.17   42.080   6.6264   0.4612   10.695   1.9294   6.3798   0.4750  1388.18  153.623  1167.91   44.200 220.2717 159.8555 
1 1 1  -27   21    4 o  468.064   74.477   1.0752   0.3100   1.7084   1.3713   1.0411   0.3183  530.671  202.307  459.039   78.148 71.63141 216.8756 
1 1 1  -27   21    5 o  950.119   49.363   4.2423   0.4301   4.3004   0.8155   4.2199   0.5062  929.810   96.727  943.584   58.591 -13.77386 113.0891 
1 1 1  -27   21    6 o  971.273   50.409   4.4338   0.4490   5.4928   0.7842   3.9174   0.5476  1064.49   80.663  905.883   66.151 158.6071 104.3190 
1 1 1  -27   21    7 o  771.172   51.988   2.8018   0.3668   2.4608   0.4944   3.2192   0.5469  712.713   76.586  817.652   73.481 -104.9384 106.1359 
1 1 1  -27   21    8 o  319.150   95.289   0.5087   0.3012   0.7145   0.4311   0.3124   0.4210  373.718  114.538  288.852  111.592 84.86606 159.9112 
1 1 1  -27   21    9 o  417.055  112.152   0.9025   0.4397   1.5303   0.7129   0.5168   0.5587  529.484  142.968  344.590  129.652 184.8932 193.0015 
1 1 1  -27   21   10 o  280.195  100.160   0.3469   0.3268   0.5233   0.4689   0.1802   0.4558  335.525  119.967  273.367  112.498 62.15817 164.4628 
1 1 1  -27   21   11 o  243.140   99.766   0.1349   0.3571  -0.2023   0.5015   0.4818   0.5087  235.639  106.878  332.056  123.949 -96.41689 163.6653 
1 1 1  -27   21   12 o  659.341   71.053   2.0976   0.4243   2.5923   0.6324   1.6927   0.5722  719.722   98.036  571.898  112.734 147.8246 149.3989 
1 1 1  -27   21   13 o  759.064   68.213   2.7679   0.4714   2.8419   0.6743   2.6972   0.6592  751.800   99.952  731.823  100.541 19.97687 141.7705 
1 1 1  -27   21   14 f  228.293   98.492   0.0179   0.3769   0.1990   0.5447  -0.1485   0.5222  291.351  121.709  244.833  110.231 46.51753 164.2066 
1 1 1  -27   21   15 o  516.035   98.685   1.3642   0.4515   2.0059   0.6922   0.8889   0.5957  609.968  127.435  407.390  135.700 202.5775 186.1565 
1 1 1  -27   21   16 o  425.515  115.416   0.9673   0.4633   1.5550   0.6632   0.4071   0.6476  528.808  135.646  333.406  135.279 195.4026 191.5730 
1 1 1  -27   23    1 o  648.497  184.476   2.8915   1.1532   2.2306   1.4663   3.9632   1.8673  530.550  207.341  653.846  238.638 -123.2962 316.1305 
1 1 1  -27   23    2 o  721.808   55.788   2.4974   0.3677   2.2344   1.3871   2.5173   0.3813  546.048  204.518  723.664   57.741 -177.6159 212.5131 
1 1 1  -27   23    3 o  224.259   81.213   0.2174   0.2157   0.7540   1.4749   0.2056   0.2180  425.935  188.943  221.461   81.430 204.4737 205.7437 
1 1 1  -27   23    4 o  171.015   76.347  -0.0722   0.2448   1.6154   1.3291  -0.1315   0.2490  497.504  196.489  163.688   74.655 333.8162 210.1936 
1 1 1  -27   23    5 o  591.121   58.787   1.6778   0.3155   1.1111   0.5575   1.9449   0.3827  447.615  128.563  633.189   66.690 -185.5747 144.8306 
1 1 1  -27   23    6 o  1547.58   41.396   11.202   0.5895   11.488   1.0051   11.053   0.7278  1543.08   70.786  1530.20   51.690 12.88379 87.64986 
1 1 1  -27   23    7 o  486.390   83.333   1.1861   0.3595   0.2472   0.6213   1.6589   0.4409  307.996  129.409  575.685   85.850 -267.6886 155.2961 
1 1 1  -27   23    8 o  247.011   97.526   0.2062   0.3273  -0.1266   0.5901   0.3541   0.3934  260.621  117.277  288.438  108.739 -27.81671 159.9316 
1 1 1  -27   23    9 o  741.947   84.373   2.7295   0.5658   1.8516   1.0164   3.1237   0.6810  545.814  177.040  786.144   96.150 -240.3302 201.4650 
1 1 1  -27   23   10 o  451.807   91.866   1.0440   0.3689   1.9873   0.5591   0.3167   0.4909  621.880  101.188  296.822  118.713 325.0571 155.9863 
1 1 1  -27   23   11 o  589.886  106.657   1.8158   0.5576   1.9703   0.7296   1.5987   0.8646  593.780  136.409  515.503  162.877 78.27673 212.4535 
1 1 1  -27   23   12 f  246.438  103.227   0.1238   0.3934   0.6720   0.5779  -0.3493   0.5369  363.842  132.766  226.799  105.618 137.0433 169.6523 
1 1 1  -27   23   13 o  270.797  108.024   0.2572   0.4054   0.2531   0.5699   0.2614   0.5769  298.438  124.564  300.650  125.395 -2.212067 176.7485 
1 1 1  -27   23   14 o  243.450  104.738   0.0611   0.4239   0.2118   0.5979  -0.0912   0.6010  297.064  125.991  264.030  118.623 33.03403 173.0471 
1 1 1  -27   25    1 o  327.067  152.411   0.1041   1.1210   0.8011   1.5608  -0.6384   1.6110  386.669  180.070  329.797  161.096 56.87189 241.6136 
1 1 1  -27   25    2 o  476.127   89.883   1.2023   0.3794   0.1360   1.4684   1.2786   0.3927  357.945  169.189  491.102   90.222 -133.1565 191.7421 
1 1 1  -27   25    3 o  684.902   45.177   2.2328   0.2831   1.9190   0.4764   2.4041   0.3520  607.742   87.722  705.445   54.660 -97.70300 103.3581 
1 1 1  -27   25    4 o  581.977   55.230   1.6383   0.2922   1.9450   0.5237   1.4995   0.3521  606.209   97.160  547.726   71.583 58.48322 120.6824 
1 1 1  -27   25    5 o  219.658   86.238   0.1738   0.2546   0.8638   0.4995  -0.0684   0.2959  388.672  123.906  187.345   83.769 201.3262 149.5658 
1 1 1  -27   25    6 o  464.651   79.640   1.0991   0.3283   1.2622   0.5672   1.0170   0.4025  466.174  128.215  433.654  102.494 32.52087 164.1471 
1 1 1  -27   25    7 o  435.445   92.603   0.9971   0.3596   1.5667   0.6534   0.7496   0.4307  515.252  135.870  368.378  114.748 146.8743 177.8421 
1 1 1  -27   25    8 o  260.167  100.898   0.2757   0.3452   0.6130   0.6288   0.1302   0.4130  349.087  135.954  248.012  104.924 101.0756 171.7338 
1 1 1  -27   25    9 o  211.949   99.396  -0.3481   0.4894  -1.0649   1.4737  -0.2592   0.5189  323.675  157.195  226.887  105.028 96.78784 189.0533 
1 1 1  -27   25   10 o  279.992  107.414   0.3428   0.3881  -0.0003   0.6802   0.5084   0.4725  282.537  126.621  320.322  119.487 -37.78427 174.0977 
1 1 1  -27   25   11 o  712.251   98.399   2.6530   0.6277   3.1679   0.8409   2.0051   0.9432  752.339  125.915  549.766  169.567 202.5728 211.2053 
1 1 1  -27   25   12 o  611.932  169.124   2.4493   0.9840   2.2394   1.8862   2.5277   1.1534  510.268  220.232  595.061  188.136 -84.79346 289.6502 
1 1 1  -27   27    1 o  398.473  191.341   2.1238   2.0366   0.0000   0.0000   2.1238   2.0366  ?   ?   398.473  191.341 0.000000 191.3410 
1 1 1  -27   27    2 o  194.081   79.677   0.1133   0.2279   0.0397   0.3318   0.1791   0.3137  207.027   90.811  226.147   93.226 -19.11983 130.1455 
1 1 1  -27   27    3 o  251.038   89.349   0.3212   0.2598   0.5836   0.4204   0.1590   0.3305  317.222  113.574  227.009   94.812 90.21272 147.9471 
1 1 1  -27   27    4 o  427.410   79.991   0.9637   0.3030   0.9621   0.5264   0.9646   0.3706  390.456  127.450  414.219   98.641 -23.76358 161.1635 
1 1 1  -27   27    5 o  199.757   85.369   0.0635   0.2782   0.6983   0.5260  -0.1830   0.3278  343.003  126.437  179.392   83.198 163.6110 151.3549 
1 1 1  -27   27    6 o  264.935   97.173   0.3480   0.3102  -0.0863   0.5821   0.5202   0.3665  248.140  113.541  307.676  106.384 -59.53545 155.5934 
1 1 1  -27   27    7 o  251.007  108.609   0.1297   0.4611   0.4219   0.5894  -0.3310   0.7401  306.895  127.266  256.257  120.815 50.63733 175.4787 
1 1 1  -27   27    8 o  340.706  160.373   0.0830   1.2946   2.1953   1.8627  -1.8907   1.8006  463.574  208.504  310.217  154.835 153.3574 259.7067 
1 1 1  -27   27    9 o  332.816  162.901  -0.8057   1.6725  -0.8057   1.6725   0.0000   0.0000  332.816  162.901  ?   ?  0.000000 162.9007 
1 1 1  -26    0    1 o  152.387  105.569  -0.3662   0.5103  -0.3662   0.5103  -0.3662   0.5103  152.387  105.569  152.387  105.569 0.000000 0.000000 
1 1 1  -26    0    2 o  1334.73   69.488   8.4485   0.8482   8.4485   0.8482   8.4485   0.8482  1334.73   69.488  1334.73   69.488 0.000000 0.000000 
1 1 1  -26    0    3 o  757.989   94.513   2.8672   0.6315   2.8672   0.6315   2.8672   0.6315  757.989   94.513  757.989   94.513 0.000000 0.000000 
1 1 1  -26    0    4 o  337.590  175.906   0.8925   0.7129   0.8925   0.7129   0.8925   0.7129  337.590  175.906  337.590  175.906 0.000000 0.000000 
1 1 1  -26    0    5 o  1051.72  114.344   5.5644   1.0734   5.5644   1.0734   5.5644   1.0734  1051.72  114.344  1051.72  114.344 0.000000 0.000000 
1 1 1  -26    0    6 o  1174.44  104.500   6.8126   1.1087   6.8126   1.1087   6.8126   1.1087  1174.44  104.500  1174.44  104.500 0.000000 0.000000 
1 1 1  -26    0    7 o  995.010   82.139   4.7890   0.7403   4.7890   0.7403   4.7890   0.7403  995.010   82.139  995.010   82.139 -0.000000 0.000000 
1 1 1  -26    0    8 o  212.299  132.914   0.1842   0.5357   0.1842   0.5357   0.1842   0.5357  212.299  132.914  212.299  132.914 -0.000000 0.000000 
1 1 1  -26    0   10 o  803.793   97.063   3.2215   0.6901   3.2215   0.6901   3.2215   0.6901  803.793   97.063  803.793   97.063 0.000000 0.000000 
1 1 1  -26    0   11 o  1289.29   79.226   7.9519   0.9318   7.9519   0.9318   7.9519   0.9318  1289.29   79.226  1289.29   79.226 0.000000 0.000000 
1 1 1  -26    0   12 o  237.949  144.998   0.3131   0.5977   0.3131   0.5977   0.3131   0.5977  237.949  144.998  237.949  144.998 0.000000 0.000000 
1 1 1  -26    0   13 f  881.896  103.998   3.8812   0.8131   3.8812   0.8131   3.8812   0.8131  881.896  103.998  881.896  103.998 -0.000000 0.000000 
1 1 1  -26    0   14 o  326.711  162.439   0.8000   0.5914   0.8000   0.5914   0.8000   0.5914  326.711  162.439  326.711  162.439 -0.000000 0.000000 
1 1 1  -26    0   15 f  1472.27   85.135   10.342   1.1445   10.342   1.1445   10.342   1.1445  1472.27   85.135  1472.27   85.135 0.000000 0.000000 
1 1 1  -26    0   16 o  273.584  161.533   0.4794   0.6972   0.4794   0.6972   0.4794   0.6972  273.584  161.533  273.584  161.533 -0.000000 0.000000 
1 1 1  -26    0   17 o  264.514  169.277   0.2113   0.9255   0.2113   0.9255   0.2113   0.9255  264.514  169.277  264.514  169.277 0.000000 0.000000 
1 1 1  -26    0   19 o  361.361  190.448   1.0334   0.8428   1.0334   0.8428   1.0334   0.8428  361.361  190.448  361.361  190.448 0.000000 0.000000 
1 1 1  -26    0   20 o  796.978  105.650   3.2199   0.7368   3.2199   0.7368   3.2199   0.7368  796.978  105.650  796.978  105.650 0.000000 0.000000 
1 1 1  -26    0   21 o  1048.85  190.003   6.4165   1.6552   6.4165   1.6552   6.4165   1.6552  1048.85  190.003  1048.85  190.003 -0.000000 0.000000 
1 1 1  -26    0   22 o  175.794  120.189  -0.2479   0.6120  -0.2479   0.6120  -0.2479   0.6120  175.794  120.189  175.794  120.189 0.000000 0.000000 
1 1 1  -26    0   23 o  191.349  129.842  -0.1525   0.6864  -0.1525   0.6864  -0.1525   0.6864  191.349  129.842  191.349  129.842 0.000000 0.000000 
1 1 1  -26    2    1 o  856.883   69.261   3.5275   0.5414   2.6424   0.6568   5.4044   0.9565  723.455  101.452  1038.30  101.407 -314.8443 143.4431 
1 1 1  -26    2    2 o  1751.86   52.307   14.414   0.8432   13.810   1.0321   15.628   1.4622  1704.63   65.798  1790.08   88.770 -85.45044 110.4966 
1 1 1  -26    2    3 o  1457.54   54.305   9.9836   0.7283   10.597   0.9238   8.9771   1.1839  1493.28   67.234  1349.68   95.950 143.6012 117.1611 
1 1 1  -26    2    4 o  897.232   57.738   3.8039   0.4742   4.0927   0.7006   3.5598   0.6441  917.764   83.885  856.079   82.801 61.68451 117.8673 
1 1 1  -26    2    5 o  1218.54   51.361   6.9508   0.5759   6.3261   0.8033   7.6114   0.8261  1148.35   76.458  1263.30   71.354 -114.9454 104.5813 
1 1 1  -26    2    6 o  924.040   59.023   4.0300   0.4992   3.9218   0.6937   4.1462   0.7190  899.608   84.808  924.820   85.453 -25.21161 120.3933 
1 1 1  -26    2    7 o  708.955   78.854   2.4248   0.5057   2.7243   0.9247   2.2970   0.6040  715.960  145.322  680.818   99.343 35.14227 176.0324 
1 1 1  -26    2    8 o  1245.27   61.145   7.2874   0.7006   8.1426   1.2837   6.9246   0.8362  1283.02  109.789  1204.98   75.799 78.04431 133.4133 
1 1 1  -26    2    9 o  1594.30   50.077   11.854   0.7346   11.387   1.0337   12.330   1.0443  1551.26   72.414  1615.57   70.250 -64.30872 100.8903 
1 1 1  -26    2   10 o  714.715   72.296   2.4357   0.4689   2.5694   0.6495   2.2902   0.6777  723.044  100.319  676.382  112.873 46.66113 151.0107 
1 1 1  -26    2   11 o  606.606   85.261   1.7826   0.4628   2.4010   0.6535   1.1604   0.6554  697.547  105.073  474.098  140.340 223.4499 175.3159 
1 1 1  -26    2   12 o  1023.33   71.290   4.9504   0.6671   4.9149   0.8230   5.0184   1.1391  1012.04   89.290  1002.86  126.238 9.180359 154.6244 
1 1 1  -26    2   13 o  404.274  121.595   0.8108   0.4891   0.7098   0.6168   0.9820   0.8028  393.309  137.896  452.496  157.391 -59.18695 209.2544 
1 1 1  -26    2   14 o  1074.65   63.638   5.4108   0.6265   5.7672   0.8876   5.0569   0.8844  1100.60   88.387  1027.64   94.589 72.96033 129.4577 
1 1 1  -26    2   15 o  1108.25   65.824   5.7497   0.6682   5.8098   0.9234   5.6837   0.9682  1105.26   91.624  1090.80   97.492 14.45703 133.7889 
1 1 1  -26    2   16 o  644.423   96.105   2.0024   0.5525   2.1030   0.7660   1.8933   0.7975  648.747  132.791  611.488  144.101 37.25891 195.9556 
1 1 1  -26    2   17 o  261.226  111.545   0.0149   0.4743  -0.5355   0.6447   0.6641   0.7002  249.207  115.948  399.709  146.095 -150.5016 186.5144 
1 1 1  -26    2   18 o  484.282  113.038   1.1616   0.4945   1.2630   0.9379   1.1225   0.5820  509.906  170.291  474.494  129.630 35.41217 214.0158 
1 1 1  -26    2   19 o  492.259  119.869   1.2082   0.5379   0.6568   0.7557   1.7745   0.7658  404.547  151.065  591.753  142.371 -187.2055 207.5818 
1 1 1  -26    2   20 o  827.512   74.985   3.2355   0.5648   3.5847   0.9248   3.0278   0.7132  854.499  120.999  792.231  100.068 62.26862 157.0172 
1 1 1  -26    2   21 o  912.490   91.738   3.9906   0.7598   5.3760   1.1873   3.0296   0.9889  1043.20  126.256  770.976  144.704 272.2266 192.0406 
1 1 1  -26    2   22 o  1014.01   86.238   4.9189   0.7970   4.3855   1.0765   5.5662   1.1857  935.787  128.398  1058.45  124.100 -122.6651 178.5689 
1 1 1  -26    2   23 o  706.053   99.123   2.4460   0.6262   2.4370   1.0208   2.4514   0.7930  670.672  166.251  692.678  129.165 -22.00610 210.5301 
1 1 1  -26    4    1 o  819.951   72.261   3.2445   0.5396   3.1903   0.6408   3.3767   1.0005  804.157   88.041  787.044  143.440 17.11273 168.3041 
1 1 1  -26    4    2 o  1108.75   61.440   5.8359   0.6244   5.2546   0.7179   7.6409   1.2650  1043.89   75.244  1225.89  113.432 -181.9999 136.1196 
1 1 1  -26    4    3 o  469.983  107.026   1.1386   0.4525   1.3081   0.5489   0.7789   0.7994  498.272  120.935  406.515  154.586 91.75726 196.2705 
1 1 1  -26    4    4 o  626.977   89.383   1.9405   0.5011   1.7638   0.5962   2.3655   0.9246  584.850  114.885  652.959  156.021 -68.10956 193.7556 
1 1 1  -26    4    5 o  571.898   91.931   1.6220   0.4674   1.5830   0.5682   1.7038   0.8220  554.187  115.181  555.357  154.965 -1.170837 193.0823 
1 1 1  -26    4    6 o  536.433   84.267   1.4120   0.4022   1.1469   0.5500   1.7168   0.5897  467.992  125.257  578.941  114.754 -110.9489 169.8752 
1 1 1  -26    4    7 o  265.706  106.172   0.2061   0.3923   0.1671   0.5349   0.2516   0.5771  290.128  120.855  309.914  126.951 -19.78665 175.2780 
1 1 1  -26    4    8 o  1080.03   77.870   5.5792   0.7687   4.6939   1.0878   6.4620   1.0863  961.268  126.021  1146.11  104.146 -184.8447 163.4861 
1 1 1  -26    4    9 o  771.434   79.356   2.8585   0.5553   1.9763   0.9091   3.3834   0.7013  603.023  160.866  833.683   93.002 -230.6592 185.8149 
1 1 1  -26    4   10 o  480.414   95.496   1.1460   0.4073   1.6924   0.6024   0.6859   0.5528  577.557  117.345  379.826  130.688 197.7307 175.6394 
1 1 1  -26    4   11 o  1235.98   57.124   7.1394   0.6497   8.2383   0.9233   6.0617   0.9143  1317.59   76.483  1123.30   89.193 194.2930 117.4945 
1 1 1  -26    4   12 o  1421.95   64.038   9.4736   0.8379   9.3498   1.0179   9.7338   1.4756  1403.94   79.117  1409.67  114.757 -5.728149 139.3864 
1 1 1  -26    4   13 o  1272.59   59.116   7.5573   0.6922   8.0727   0.9885   7.0612   0.9697  1304.09   82.808  1217.31   87.148 86.78113 120.2158 
1 1 1  -26    4   14 o  728.822   78.931   2.5263   0.5209   2.4017   0.7279   2.6570   0.7457  696.992  117.691  735.388  113.876 -38.39691 163.7651 
1 1 1  -26    4   15 o  759.427   75.891   2.7280   0.5232   2.4936   0.7342   2.9698   0.7458  712.938  115.905  782.943  106.266 -70.00531 157.2460 
1 1 1  -26    4   16 o  503.944   97.945   1.2401   0.4378   1.3990   0.7265   1.1495   0.5487  526.293  145.255  480.003  123.506 46.28983 190.6639 
1 1 1  -26    4   17 o  769.915   77.337   2.8013   0.5405   2.6690   1.0643   2.8473   0.6274  721.076  164.094  772.739   89.919 -51.66223 187.1154 
1 1 1  -26    4   18 o  870.581   70.665   3.5614   0.5612   3.0305   0.9222   3.8736   0.7072  781.942  132.934  903.758   86.081 -121.8168 158.3714 
1 1 1  -26    4   19 o  349.101  122.497   0.5324   0.4868   1.7452   0.7968  -0.1900   0.6149  584.923  147.940  272.213  121.304 312.7105 191.3137 
1 1 1  -26    4   20 o  787.808   91.123   2.9744   0.6484   3.3586   0.9892   2.6850   0.8585  819.265  135.981  732.281  132.281 86.98364 189.7074 
1 1 1  -26    4   21 o  601.200  105.695   1.7814   0.5634   3.7970   0.9837   0.7977   0.6872  873.863  125.976  414.949  145.547 458.9143 192.4938 
1 1 1  -26    4   22 o  243.428  114.490  -0.6120   0.6574   2.2948   1.3425  -1.5288   0.7540  639.256  203.062  214.686  105.923 424.5707 229.0278 
1 1 1  -26    4   23 o  770.057   85.041   2.8605   0.5925   4.4344   0.8794   1.5518   0.8019  951.872  101.988  539.513  153.953 412.3589 184.6699 
1 1 1  -26    6    1 o  849.584   58.346   3.4269   0.4534   3.0693   0.6194   3.8396   0.6654  789.266   86.711  886.237   82.547 -96.97052 119.7195 
1 1 1  -26    6    2 o  773.302   69.671   2.8749   0.4904   3.1953   0.6352   2.4018   0.7718  806.240   86.994  672.422  129.435 133.8186 155.9529 
1 1 1  -26    6    3 o  312.573  111.425   0.4476   0.4042   0.6119   0.5149   0.1837   0.6525  356.306  125.894  311.113  131.765 45.19287 182.2399 
1 1 1  -26    6    4 o  1188.77   57.794   6.6551   0.6322   5.7929   0.7923   8.1654   1.0487  1095.66   79.123  1294.29   88.587 -198.6243 118.7779 
1 1 1  -26    6    5 o  1430.16   69.752   9.7187   0.9179   9.1688   1.2013   10.490   1.4230  1367.05   96.111  1451.72  107.283 -84.67371 144.0378 
1 1 1  -26    6    6 o  555.542   99.216   1.5462   0.4886   1.6422   0.5844   1.3232   0.8905  565.032  116.274  493.964  165.926 71.06787 202.6109 
1 1 1  -26    6    7 o  485.294   92.387   1.1721   0.3975   0.9894   0.5612   1.3560   0.5631  436.337  130.018  511.238  121.489 -74.90033 177.9445 
1 1 1  -26    6    8 o  506.572   86.023   1.2607   0.3866   1.3894   0.5670   1.1487   0.5286  518.775  120.999  471.317  121.203 47.45807 171.2625 
1 1 1  -26    6    9 o  297.346  111.492   0.3491   0.4125   0.7773   0.7257   0.1447   0.5013  408.753  148.834  281.100  117.034 127.6530 189.3371 
1 1 1  -26    6   10 o  450.611  115.999   1.0352   0.4838   1.3810   0.8117   0.8446   0.6026  510.750  157.264  412.661  136.434 98.08878 208.1976 
1 1 1  -26    6   11 o  776.906   68.643   2.8604   0.4857   2.7057   0.6520   3.0533   0.7279  744.578   97.514  789.287  102.648 -44.70966 141.5824 
1 1 1  -26    6   12 o  498.370  100.161   1.2311   0.4434   0.7400   0.5907   1.8648   0.6710  395.300  135.129  606.820  124.351 -211.5208 183.6379 
1 1 1  -26    6   13 o  1051.97   63.718   5.1920   0.6139   5.7644   0.8685   4.6208   0.8677  1099.90   86.516  979.411   97.584 120.4850 130.4138 
1 1 1  -26    6   14 f  740.027   67.519   2.5806   0.4547   1.9373   0.6740   3.1178   0.6160  623.262  121.896  809.107   83.958 -185.8451 148.0121 
1 1 1  -26    6   15 o  615.258   73.940   1.7962   0.4102   1.3287   0.6235   2.1530   0.5447  513.709  131.386  669.664   90.733 -155.9543 159.6709 
1 1 1  -26    6   16 o  686.321   84.175   2.2447   0.5204   2.0473   1.0935   2.3025   0.5918  627.100  180.048  691.917   95.490 -64.81714 203.8026 
1 1 1  -26    6   17 o  827.526   77.625   3.2347   0.5842   3.0159   1.0969   3.3213   0.6902  768.232  160.354  834.551   91.371 -66.31885 184.5587 
1 1 1  -26    6   18 o  1798.04   52.235   15.001   0.8642   14.464   1.3832   15.345   1.1069  1753.01   85.750  1813.83   66.318 -60.82104 108.4030 
1 1 1  -26    6   19 o  1223.59   63.201   6.9987   0.7092   8.5220   1.2083   6.1984   0.8759  1335.80   99.010  1144.41   83.756 191.3831 129.6849 
1 1 1  -26    6   20 o  1000.52   90.008   4.7800   0.8198   5.8028   1.1012   3.5087   1.2278  1093.23  111.011  819.133  168.512 274.0925 201.7911 
1 1 1  -26    6   21 o  648.375   91.752   2.0385   0.5321   3.4351   0.9547   1.4091   0.6409  827.051  129.720  524.262  132.726 302.7896 185.5899 
1 1 1  -26    6   22 o  786.728  123.466   3.1163   0.8644   4.3815   1.5976   2.5927   1.0278  879.197  201.757  694.732  163.497 184.4653 259.6864 
1 1 1  -26    6   23 o  793.852   92.569   3.0686   0.6635   2.9264   1.0844   3.1537   0.8388  734.349  164.562  791.474  118.849 -57.12531 202.9916 
1 1 1  -26    8    1 o  964.845   64.153   4.4443   0.5663   4.5773   0.6534   4.0425   1.1355  973.816   73.455  856.021  149.604 117.7951 166.6649 
1 1 1  -26    8    2 o  458.445  105.967   1.0875   0.4381   0.9736   0.4941   1.5057   0.9469  429.034  120.304  511.067  171.098 -82.03253 209.1592 
1 1 1  -26    8    3 o  954.181   54.015   4.2927   0.4723   4.1685   0.6610   4.4223   0.6752  928.132   78.118  956.579   77.367 -28.44672 109.9458 
1 1 1  -26    8    4 o  832.913   59.990   3.2891   0.4567   4.3666   0.7055   2.5118   0.5992  948.982   81.586  712.025   93.730 236.9567 124.2644 
1 1 1  -26    8    5 o  868.976   58.902   3.5711   0.4682   3.0222   0.6501   4.1626   0.6749  783.937   91.862  928.354   79.778 -144.4178 121.6679 
1 1 1  -26    8    6 f  519.348   86.390   1.3301   0.3983   2.0272   0.6083   0.8067   0.5271  633.260  108.281  397.767  127.330 235.4928 167.1457 
1 1 1  -26    8    7 o  222.687   99.485  -0.1259   0.4164   0.1870   0.4970  -0.8633   0.7629  284.985  117.402  248.170  118.615 36.81509 166.8913 
1 1 1  -26    8    8 o  859.908   61.349   3.4928   0.4822   4.4183   0.7243   2.7560   0.6463  957.806   83.004  749.074   95.976 208.7321 126.8899 
1 1 1  -26    8    9 o  389.569  102.175   0.7647   0.3708   1.1300   0.5245   0.3998   0.5243  468.497  120.872  324.778  124.785 143.7189 173.7275 
1 1 1  -26    8   10 o  620.904   96.167   1.8945   0.5317   2.1854   0.9168   1.7472   0.6526  638.541  157.115  583.759  125.243 54.78113 200.9252 
1 1 1  -26    8   11 o  592.764   88.062   1.7080   0.4657   1.5435   0.6364   1.8975   0.6833  548.286  128.406  610.271  125.869 -61.98511 179.8086 
1 1 1  -26    8   12 o  610.587   72.705   1.7772   0.4005   1.4146   0.6245   2.0305   0.5219  525.883  129.837  647.586   90.013 -121.7023 157.9869 
1 1 1  -26    8   13 o  971.573   56.127   4.4100   0.4996   4.3548   0.8047   4.4447   0.6374  953.015   92.944  970.722   71.871 -17.70776 117.4906 
1 1 1  -26    8   14 o  629.195   78.793   1.8876   0.4462   1.9126   0.7371   1.8731   0.5606  615.299  133.982  619.757  101.832 -4.457642 168.2879 
1 1 1  -26    8   15 o  1796.52   54.569   14.993   0.9021   13.913   1.7509   15.383   1.0525  1701.14  112.488  1816.86   62.958 -115.7174 128.9080 
1 1 1  -26    8   16 o  1246.37   61.123   7.2314   0.7010   7.5160   1.3972   7.1357   0.8104  1243.16  123.784  1233.41   71.712 9.748535 143.0565 
1 1 1  -26    8   17 o  784.051   74.130   2.9021   0.5285   3.2630   0.8800   2.6986   0.6609  815.740  120.902  748.586   98.325 67.15460 155.8365 
1 1 1  -26    8   18 o  1141.67   61.426   6.0895   0.6429   5.4511   1.0170   6.5145   0.8298  1064.30  105.222  1175.89   77.114 -111.5873 130.4542 
1 1 1  -26    8   19 o  1760.09   61.230   14.449   0.9917   14.720   1.4583   14.215   1.3525  1760.47   90.328  1735.12   84.711 25.35278 123.8351 
1 1 1  -26    8   20 o  660.156  105.392   2.1406   0.6187   2.7528   0.9629   1.7102   0.8074  730.693  148.284  572.991  151.002 157.7025 211.6355 
1 1 1  -26    8   21 o  458.642  124.776   1.0735   0.5406   1.8568   0.9731   0.7239   0.6501  586.967  170.234  396.752  141.326 190.2147 221.2528 
1 1 1  -26    8   22 o  400.087  136.544   0.7786   0.6031   1.1660   0.8057   0.2848   0.9097  474.817  157.803  370.270  156.133 104.5472 221.9893 
1 1 1  -26    8   23 o  982.383  103.194   4.7517   0.9189   4.8180   1.1030   4.6012   1.6612  974.233  125.992  884.287  207.692 89.94586 242.9200 
1 1 1  -26   10    1 o  857.783   54.280   3.4797   0.4262   3.2471   0.5829   3.7470   0.6249  816.534   78.545  877.795   78.180 -61.26050 110.8221 
1 1 1  -26   10    2 o  189.140   84.817  -0.1068   0.3057  -0.0373   0.4183  -0.1866   0.4480  232.363  101.941  222.512  100.959 9.850540 143.4735 
1 1 1  -26   10    3 o  420.503   91.861   0.8942   0.3455   0.7342   0.4825   1.0626   0.4949  378.471  121.898  449.311  118.143 -70.83987 169.7554 
1 1 1  -26   10    4 o  1097.62   50.469   5.6443   0.5097   5.1784   0.7037   6.1584   0.7393  1038.29   74.146  1134.52   71.180 -96.22205 102.7826 
1 1 1  -26   10    5 f  524.462   77.968   1.3427   0.3648   1.0263   0.5323   1.6229   0.5010  441.925  125.203  568.326   99.415 -126.4013 159.8719 
1 1 1  -26   10    6 o  664.162   85.441   2.1549   0.5101   1.9598   0.5914   2.7213   1.0077  622.973  107.025  702.714  159.497 -79.74103 192.0770 
1 1 1  -26   10    7 o  562.954  100.272   1.5860   0.5004   1.6571   0.5911   1.4061   0.9400  568.145  116.960  508.255  170.478 59.89017 206.7421 
1 1 1  -26   10    8 o  295.455  115.580   0.2996   0.4560   0.4392   0.5354  -0.0691   0.8701  332.230  126.469  328.413  145.430 3.816803 192.7287 
1 1 1  -26   10    9 o  795.290   65.362   2.9960   0.4741   3.4674   0.6794   2.5488   0.6618  846.271   88.564  717.826  103.163 128.4447 135.9636 
1 1 1  -26   10   10 o  768.825   62.975   2.7911   0.4416   3.1663   0.6691   2.5014   0.5878  808.212   91.582  717.543   91.082 90.66907 129.1639 
1 1 1  -26   10   11 o  1046.41   70.751   5.1753   0.6772   5.0555   1.1496   5.2389   0.8381  1005.51  127.088  1045.39   87.945 -39.88745 154.5498 
1 1 1  -26   10   12 o  1347.88   48.914   8.4416   0.6067   8.2984   0.9734   8.5326   0.7758  1323.16   80.330  1350.96   62.405 -27.79504 101.7212 
1 1 1  -26   10   13 o  811.716   62.925   3.0938   0.4663   3.8148   0.8049   2.7295   0.5721  889.118  100.121  756.180   83.625 132.9380 130.4510 
1 1 1  -26   10   14 o  1135.85   62.049   6.0325   0.6461   6.3634   1.3385   5.9320   0.7377  1136.85  130.304  1123.30   71.744 13.55054 148.7496 
1 1 1  -26   10   15 o  1904.06   53.754   16.842   0.9418   18.555   1.8908   16.276   1.0861  1969.91  104.688  1868.42   63.174 101.4939 122.2717 
1 1 1  -26   10   16 o  194.121   89.884  -0.3022   0.3804  -0.0541   0.6356  -0.4407   0.4748  290.984  126.713  210.292   98.390 80.69229 160.4273 
1 1 1  -26   10   17 o  893.972   69.269   3.7592   0.5654   3.1105   0.8783   4.2182   0.7388  793.272  124.414  941.840   86.201 -148.5686 151.3587 
1 1 1  -26   10   18 o  471.819  122.487   1.1203   0.5365   0.5551   0.7678   1.6594   0.7499  389.130  150.599  568.721  143.340 -179.5905 207.9093 
1 1 1  -26   10   19 o  1062.18   60.896   5.2858   0.5927   5.3252   0.8115   5.2408   0.8677  1057.63   84.077  1046.16   91.050 11.47131 123.9317 
1 1 1  -26   10   20 o  421.222  130.429   0.8892   0.5574   0.4322   0.7996   1.3212   0.7775  373.870  150.805  503.913  153.700 -130.0433 215.3269 
1 1 1  -26   10   21 o  506.523  109.104   1.2958   0.4935   1.6078   0.7206   1.0201   0.6773  552.700  141.175  446.961  144.467 105.7387 201.9933 
1 1 1  -26   10   22 o  285.620  124.803  -0.0225   0.6214   0.0449   0.8442  -0.1021   0.9178  334.436  145.822  333.688  148.485 0.7483826 208.1151 
1 1 1  -26   12    1 o  922.377   50.107   4.0051   0.4237   3.7505   0.5689   4.3220   0.6349  882.694   70.634  946.227   73.491 -63.53339 101.9321 
1 1 1  -26   12    2 o  1213.50   46.084   6.8876   0.5146   6.4786   0.7048   7.3546   0.7530  1165.28   66.004  1241.67   66.148 -76.38916 93.44512 
1 1 1  -26   12    3 o  910.744   54.052   3.9125   0.4510   3.4336   0.6261   4.4288   0.6501  839.545   82.093  958.990   74.249 -119.4453 110.6896 
1 1 1  -26   12    4 o  750.553   61.118   2.6772   0.4184   2.4357   0.5793   2.9407   0.6051  701.826   91.909  775.056   86.309 -73.23004 126.0816 
1 1 1  -26   12    5 o  208.773   89.146   0.0209   0.3029   0.5943   0.4562  -0.4314   0.4052  349.592  118.749  186.787   88.464 162.8058 148.0782 
1 1 1  -26   12    6 o  1252.84   50.313   7.3393   0.5800   7.1328   0.8207   7.5453   0.8199  1222.17   73.314  1258.48   71.090 -36.31042 102.1211 
1 1 1  -26   12    7 o  561.287   82.140   1.5362   0.4117   1.5522   0.5737   1.5192   0.5911  549.698  117.007  541.682  121.578 8.015198 168.7362 
1 1 1  -26   12    8 o  377.867   98.285   0.7180   0.3450   0.2251   0.5075   1.1413   0.4703  293.736  119.545  473.471  110.042 -179.7343 162.4819 
1 1 1  -26   12    9 o  1301.53   46.856   7.8834   0.5612   7.9779   0.9096   7.8253   0.7130  1294.95   76.680  1292.04   59.972 2.904175 97.34747 
1 1 1  -26   12   10 o  609.587   69.121   1.7697   0.3809   2.9077   0.6817   1.2533   0.4592  771.956   98.193  501.111  103.031 270.8452 142.3280 
1 1 1  -26   12   11 o  559.294  146.581   1.6304   0.7635   0.4307   1.0201   3.1588   1.1514  405.076  167.656  771.272  167.064 -366.1953 236.6832 
1 1 1  -26   12   12 o  724.244   98.721   2.5471   0.6408   3.1165   0.7785   1.3517   1.1281  798.103  108.852  523.429  186.195 274.6738 215.6788 
1 1 1  -26   12   13 o  426.991  112.837   0.9101   0.4500   0.9041   0.9080   0.9120   0.5181  451.689  166.170  427.693  124.268 23.99594 207.4968 
1 1 1  -26   12   14 o  947.841   61.365   4.2063   0.5323   4.5522   0.8749   4.0029   0.6708  973.123   99.091  918.930   80.131 54.19293 127.4363 
1 1 1  -26   12   15 o  280.659  109.666   0.2457   0.4102   0.2613   0.6628   0.2359   0.5221  333.763  136.309  302.872  121.969 30.89066 182.9113 
1 1 1  -26   12   16 o  797.945   63.835   2.9914   0.4648   3.2017   0.6453   2.7647   0.6700  818.672   86.995  756.110   98.646 62.56104 131.5262 
1 1 1  -26   12   17 o  964.026   62.680   4.3583   0.5530   4.5465   0.7350   4.1129   0.8394  978.070   82.438  922.791  100.484 55.27869 129.9738 
1 1 1  -26   12   18 o  544.720   90.986   1.4467   0.4400   1.3743   0.6067   1.5269   0.6390  519.202  127.842  547.138  129.013 -27.93579 181.6259 
1 1 1  -26   12   19 o  204.220   94.288  -0.2976   0.4142  -0.4519   0.5584  -0.1089   0.6174  230.970  107.612  277.932  122.818 -46.96248 163.2931 
1 1 1  -26   12   20 o  505.907  127.619   1.3257   0.5940   0.8698   0.8210   1.8267   0.8606  430.817  158.080  582.312  157.029 -151.4951 222.8169 
1 1 1  -26   12   21 o  508.277  109.614   1.3146   0.4976   1.7125   0.7317   0.9721   0.6787  567.382  140.807  435.668  144.836 131.7137 201.9998 
1 1 1  -26   14    1 o  868.879   49.693   3.5508   0.3957   3.3590   0.5564   3.7471   0.5628  834.464   73.199  883.462   69.794 -48.99750 101.1402 
1 1 1  -26   14    2 o  1136.85   45.660   6.0394   0.4776   5.3050   0.6471   6.9187   0.7080  1054.22   67.051  1206.31   64.015 -152.0917 92.70280 
1 1 1  -26   14    3 o  512.874   72.954   1.2786   0.3346   1.2701   0.4791   1.2866   0.4675  496.805  107.889  501.515  104.684 -4.710022 150.3291 
1 1 1  -26   14    4 o  189.972   85.140  -0.1102   0.3076  -0.3950   0.4128   0.2453   0.4612  192.316   90.535  285.309  114.724 -92.99211 146.1444 
1 1 1  -26   14    5 o  524.888   62.073   1.3161   0.2940   1.6421   0.5153   1.1588   0.3580  571.406  101.742  485.045   83.200 86.36118 131.4291 
1 1 1  -26   14    6 o  481.669   70.922   1.1216   0.3049   1.8461   0.5552   0.8088   0.3649  606.981  103.095  399.677   99.580 207.3037 143.3347 
1 1 1  -26   14    7 o  550.685   66.261   1.4496   0.3290   1.5687   0.6006   1.3985   0.3933  551.557  121.607  535.386   82.481 16.17163 146.9398 
1 1 1  -26   14    8 o  999.128   48.640   4.6513   0.4472   4.7683   0.7608   4.5895   0.5527  996.281   83.772  987.107   61.153 9.174072 103.7179 
1 1 1  -26   14    9 o  604.792   80.529   1.7642   0.4370   1.5285   0.6466   1.9623   0.5929  543.855  130.811  628.438  106.325 -84.58240 168.5721 
1 1 1  -26   14   10 o  859.279   58.047   3.4642   0.4563   2.5951   0.7543   3.9657   0.5730  720.987  117.766  916.280   68.454 -195.2930 136.2154 
1 1 1  -26   14   11 o  1111.49   92.628   5.9278   0.9387   0.0000   0.0000   5.9278   0.9387  ?   ?   1111.49   92.628 0.000000 92.62773 
1 1 1  -26   14   12 o  742.629   75.631   2.6209   0.5096   2.0777   0.9410   2.8464   0.6062  627.930  161.835  770.377   87.042 -142.4477 183.7584 
1 1 1  -26   14   13 o  148.505   73.085  -0.7226   0.3514  -0.8957   0.5652  -0.6136   0.4486  201.843   97.870  187.637   90.021 14.20598 132.9751 
1 1 1  -26   14   14 o  212.764   92.553  -0.0406   0.3384  -0.1095   0.4674   0.0353   0.4905  241.837  106.867  266.313  113.569 -24.47607 155.9434 
1 1 1  -26   14   15 o  314.419  110.488   0.4318   0.3961   0.4223   0.5478   0.4422   0.5734  336.115  127.935  343.377  130.841 -7.262115 182.9938 
1 1 1  -26   14   16 o  1314.99   74.263   8.1638   0.8949   8.1638   0.8949   0.0000   0.0000  1314.99   74.263  ?   ?  0.000000 74.26340 
1 1 1  -26   14   17 o  656.612  104.009   2.1234   0.6075   2.8094   0.6788  -0.6353   1.3612  758.988   99.601  371.971  171.457 387.0168 198.2877 
1 1 1  -26   14   18 o  423.972  118.016   0.9124   0.4773   0.9043   0.6719   0.9206   0.6783  427.705  144.125  430.860  144.807 -3.154785 204.3064 
1 1 1  -26   14   19 o  316.126  114.971   0.4291   0.4329   0.5135   0.5952   0.3343   0.6307  353.262  133.614  331.939  133.917 21.32312 189.1730 
1 1 1  -26   14   20 o  252.459  114.343  -0.2257   0.5716  -0.3377   0.8449  -0.1313   0.7763  300.492  137.225  304.770  136.018 -4.278625 193.2145 
1 1 1  -26   14   21 o  399.724  170.107   0.4175   1.0963   2.7209   1.6140  -1.5556   1.4938  651.599  223.356  335.206  161.697 316.3925 275.7423 
1 1 1  -26   16    1 o  213.932   83.106   0.1505   0.2345   0.0643   0.3262   0.2426   0.3373  222.702   93.679  259.119   99.951 -36.41704 136.9888 
1 1 1  -26   16    2 o  1177.05   42.266   6.4543   0.4578   5.8740   0.6212   7.1439   0.6772  1113.99   60.830  1230.71   59.802 -116.7197 85.30295 
1 1 1  -26   16    3 o  1322.97   36.286   8.1245   0.4417   8.8594   0.7538   7.7401   0.5451  1371.17   59.747  1287.84   46.000 83.32776 75.40348 
1 1 1  -26   16    4 o  723.214   48.574   2.4536   0.3214   2.5183   0.5455   2.4193   0.3977  719.387   83.991  714.133   61.113 5.253845 103.8711 
1 1 1  -26   16    5 o  232.083   88.262   0.1936   0.2606   0.4002   0.4445   0.0853   0.3217  311.066  115.913  226.243   93.939 84.82375 149.1996 
1 1 1  -26   16    6 o  887.255   48.783   3.6823   0.3967   4.3134   0.7213   3.4085   0.4751  946.032   83.725  849.529   61.181 96.50342 103.6973 
1 1 1  -26   16    7 o  360.782   96.285   0.6510   0.3256   1.9449   0.6928   0.2842   0.3689  614.708  126.688  276.517  105.044 338.1909 164.5726 
1 1 1  -26   16    8 o  302.345  100.981   0.4251   0.3298   1.0103   0.7016   0.2591   0.3737  446.699  147.200  272.967  105.226 173.7321 180.9431 
1 1 1  -26   16    9 o  499.887  103.475   1.2484   0.4603   0.2822   0.7955   1.7345   0.5643  354.621  147.521  589.721  107.977 -235.1001 182.8155 
1 1 1  -26   16   10 o  801.006   67.079   3.0329   0.4899   3.2088   0.9558   2.9703   0.5705  793.586  135.767  788.333   79.741 5.252258 157.4522 
1 1 1  -26   16   11 o  1809.88   41.717   15.188   0.6947   17.357   1.0288   13.369   0.9419  1927.91   57.995  1690.89   60.540 237.0194 83.83647 
1 1 1  -26   16   12 o  764.707   66.058   2.7611   0.4603   3.0388   0.7316   2.5792   0.5921  788.708  103.294  730.979   89.925 57.72980 136.9533 
1 1 1  -26   16   13 o  643.789   68.779   1.9671   0.4011   1.7541   0.5572   2.1962   0.5779  595.398  105.572  671.403   96.304 -76.00543 142.8985 
1 1 1  -26   16   14 o  451.764   99.637   1.0156   0.4031   1.6828   0.5497   0.2396   0.5928  582.301  106.510  315.242  128.849 267.0587 167.1720 
1 1 1  -26   16   15 o  387.800  109.741   0.7520   0.4092   0.6804   0.5743   0.8259   0.5832  382.203  133.112  409.804  134.165 -27.60129 188.9951 
1 1 1  -26   16   16 o  260.215  105.231   0.1686   0.3904  -0.2085   0.5556   0.5365   0.5488  252.295  113.637  352.821  129.282 -100.5256 172.1259 
1 1 1  -26   16   17 o  522.334  100.888   1.3631   0.4673   0.7691   0.6500   1.9988   0.6724  401.273  141.487  625.924  121.127 -224.6504 186.2533 
1 1 1  -26   16   18 o  732.425   75.995   2.5785   0.5047   2.0557   0.6679   3.2744   0.7706  633.832  118.888  811.231  105.747 -177.3987 159.1127 
1 1 1  -26   16   19 o  550.654  103.246   1.5331   0.5039   1.8132   0.6979   1.2279   0.7284  584.739  132.741  477.124  149.316 107.6151 199.7880 
1 1 1  -26   16   20 o  553.913  153.955   1.7099   0.8130   1.5015   1.5682   1.7865   0.9507  524.414  211.308  557.817  169.913 -33.40344 271.1488 
1 1 1  -26   18    1 o  476.511   63.602   1.0928   0.2719   0.0000   0.0000   1.0928   0.2719  ?   ?   476.511   63.602 0.000000 63.60221 
1 1 1  -26   18    2 o  544.951   45.788   1.3957   0.2275   1.3737   0.4208   1.4048   0.2704  525.407   90.288  544.323   54.726 -18.91559 105.5785 
1 1 1  -26   18    3 o  736.913   43.762   2.5390   0.2954   3.3925   0.5776   2.2367   0.3438  839.807   75.554  688.333   54.727 151.4738 93.29272 
1 1 1  -26   18    4 o  328.906   81.701   0.5385   0.2462   1.0011   0.4917   0.3838   0.2844  439.283  118.788  284.859   93.703 154.4242 151.2967 
1 1 1  -26   18    5 o  342.383   90.005   0.5862   0.2873   0.3029   0.5356   0.7007   0.3404  309.822  123.964  372.720   97.970 -62.89819 158.0037 
1 1 1  -26   18    6 o  1096.99   46.256   5.6054   0.4669   6.7074   0.9064   5.2074   0.5447  1180.85   83.969  1052.76   56.440 128.0986 101.1741 
1 1 1  -26   18    7 o  924.083   51.071   3.9974   0.4326   4.9706   0.7768   3.5599   0.5208  1016.71   83.775  866.940   65.776 149.7657 106.5117 
1 1 1  -26   18    8 o  554.099   73.157   1.4757   0.3639   1.4927   0.6313   1.4672   0.4453  536.347  129.409  546.057   91.882 -9.709229 158.7107 
1 1 1  -26   18    9 o  310.656  107.207   0.4388   0.3721   0.9578   0.6284   0.1584   0.4618  434.535  139.017  274.883  113.198 159.6514 179.2748 
1 1 1  -26   18   10 o  185.747   83.312  -0.1182   0.2951  -0.3279   0.4212   0.0842   0.4137  202.938   94.182  252.110  105.744 -49.17258 141.6052 
1 1 1  -26   18   11 o  1183.15   48.124   6.5156   0.5239   7.4739   0.7772   5.7172   0.7093  1258.58   67.353  1098.98   70.517 159.5947 97.51440 
1 1 1  -26   18   12 o  240.710  106.959  -0.1217   0.4746   0.0949   0.5700  -0.6112   0.8570  290.104  123.026  286.314  133.367 3.790070 181.4450 
1 1 1  -26   18   13 o  1115.39   55.187   5.8141   0.5664   5.9080   0.7628   5.6988   0.8455  1114.86   74.795  1089.81   84.990 25.05530 113.2152 
1 1 1  -26   18   14 o  547.800   85.928   1.4658   0.4189   1.4598   0.5984   1.4715   0.5866  531.909  124.466  535.068  121.863 -3.159058 174.1906 
1 1 1  -26   18   15 o  575.674   84.818   1.6171   0.4358   1.6371   0.6143   1.5967   0.6185  563.721  121.963  555.639  124.099 8.081421 173.9987 
1 1 1  -26   18   16 o  820.235   67.446   3.2026   0.5045   2.9946   0.7153   3.4085   0.7118  776.315  102.654  833.430   94.480 -57.11578 139.5152 
1 1 1  -26   18   17 o  527.853  101.030   1.4082   0.4728   1.8024   0.6642   1.0030   0.6733  585.482  126.941  437.015  144.209 148.4662 192.1205 
1 1 1  -26   18   18 o  300.618  115.829   0.3506   0.4526  -0.2044   0.6284   0.9489   0.6525  265.207  120.021  424.558  142.029 -159.3512 185.9501 
1 1 1  -26   18   19 o  771.957  122.364   3.1117   0.8402   3.0792   1.0804   3.1613   1.3365  734.321  164.031  711.418  197.277 22.90277 256.5629 
1 1 1  -26   20    1 o  351.786  151.562   0.2534   0.8901   1.2377   1.2174  -0.8772   1.3047  477.729  188.251  332.648  157.891 145.0818 245.6995 
1 1 1  -26   20    2 o  871.157  142.043   4.0914   1.0994   5.0006   1.4857   2.9910   1.6345  924.694  181.087  663.097  224.784 261.5970 288.6523 
1 1 1  -26   20    3 o  491.227   59.521   1.1543   0.2636   3.4859   1.2835   1.0516   0.2693  768.598  183.939  467.067   64.367 301.5305 194.8765 
1 1 1  -26   20    4 o  1264.83   38.757   7.4379   0.4511   6.9262   0.8459   7.6412   0.5332  1200.10   77.007  1279.57   45.287 -79.46594 89.33666 
1 1 1  -26   20    5 o  531.126   64.440   1.3517   0.3085   0.9350   0.5681   1.5260   0.3674  423.327  131.762  561.854   72.767 -138.5273 150.5202 
1 1 1  -26   20    6 o  683.730   56.417   2.2090   0.3518   2.3554   0.6310   2.1430   0.4237  686.305  103.100  668.712   69.897 17.59344 124.5600 
1 1 1  -26   20    7 o  666.014   53.431   2.0899   0.3247   1.7475   0.4520   2.4550   0.4667  597.990   84.495  715.760   71.835 -117.7698 110.9045 
1 1 1  -26   20    8 o  389.937   84.002   0.7551   0.2925   0.4000   0.4082   1.1300   0.4194  305.648  111.569  473.723   99.384 -168.0754 149.4146 
1 1 1  -26   20    9 o  601.501   90.363   1.7787   0.4847   0.8971   0.6939   2.6185   0.6773  423.229  146.378  724.991  104.544 -301.7621 179.8777 
1 1 1  -26   20   10 o  350.195   99.952   0.6147   0.3380   0.6089   0.4744   0.6207   0.4816  355.977  121.096  358.965  122.017 -2.987854 171.9086 
1 1 1  -26   20   11 o  574.489   77.553   1.5988   0.3995   1.7762   0.5542   1.4069   0.5763  594.516  105.161  520.575  122.377 73.94147 161.3535 
1 1 1  -26   20   12 o  827.273   67.530   3.2578   0.5096   4.7155   0.8387   2.4048   0.6416  981.951   93.971  694.053  103.631 287.8980 139.8925 
1 1 1  -26   20   13 o  1359.84   48.314   8.6367   0.6045   9.5364   0.8853   7.8506   0.8275  1418.67   67.818  1284.08   70.304 134.5889 97.68277 
1 1 1  -26   20   14 o  330.527  106.333   0.5382   0.3672   0.5576   0.5241   0.5195   0.5148  348.591  126.547  340.686  125.150 7.904327 177.9791 
1 1 1  -26   20   15 o  588.378   82.913   1.7003   0.4364   1.4317   0.6062   1.9895   0.6289  518.256  127.894  621.133  114.247 -102.8768 171.4910 
1 1 1  -26   20   16 f  662.640   77.325   2.1404   0.4626   2.1185   0.6257   2.1668   0.6871  641.838  109.890  642.613  120.630 -0.7750854 163.1793 
1 1 1  -26   20   17 o  609.900   89.139   1.8563   0.4855   2.1550   0.6949   1.5715   0.6786  637.300  122.952  533.532  137.389 103.7679 184.3723 
1 1 1  -26   20   18 o  469.873  202.322   1.0336   1.5843   1.0336   1.5843   0.0000   0.0000  469.873  202.322  ?   ?  0.000000 202.3221 
1 1 1  -26   22    1 o  582.218  198.938   2.3126   1.2803   2.3126   1.2803   0.0000   0.0000  582.218  198.938  ?   ?  0.000000 198.9376 
1 1 1  -26   22    2 o  592.277   57.331   1.6774   0.3085   0.9896   1.1212   1.7338   0.3209  439.561  178.125  601.679   58.715 -162.1176 187.5525 
1 1 1  -26   22    3 o  156.180   68.720  -0.0385   0.1913  -2.3738   1.2612   0.0164   0.1935  266.829  132.590  168.303   71.544 98.52654 150.6610 
1 1 1  -26   22    4 o  753.518   54.438   2.6902   0.3749   2.9926   1.4540   2.6687   0.3880  669.066  211.197  749.576   56.677 -80.51080 218.6698 
1 1 1  -26   22    5 o  236.835   86.106   0.2351   0.2428   0.5930   0.4381   0.0765   0.2917  345.091  116.375  214.109   89.217 130.9816 146.6383 
1 1 1  -26   22    6 o  702.850   56.841   2.3442   0.3645   2.3545   0.5995   2.3382   0.4591  684.815   97.920  695.282   72.833 -10.46741 122.0365 
1 1 1  -26   22    7 o  175.140   80.246  -0.1764   0.2921  -0.4938   0.4647   0.0309   0.3756  198.475   94.214  230.672   98.898 -32.19681 136.5909 
1 1 1  -26   22    8 o  187.253   84.021  -0.1088   0.3005  -0.5310   0.4488   0.2343   0.4046  190.986   91.198  271.005  107.972 -80.01817 141.3327 
1 1 1  -26   22    9 o  365.506  113.642   0.6832   0.4227   0.6662   0.7475   0.6912   0.5125  385.476  148.759  370.897  125.872 14.57858 194.8670 
1 1 1  -26   22   10 o  340.689   97.758   0.5891   0.3225   0.6087   0.4541   0.5692   0.4579  350.439  118.487  342.577  118.888 7.861877 167.8496 
1 1 1  -26   22   11 o  503.060  120.941   1.3416   0.5529   2.0407   0.7195   0.3333   0.8641  617.293  130.742  357.905  151.613 259.3881 200.1997 
1 1 1  -26   22   12 o  653.721   74.568   2.0774   0.4405   1.1867   0.6198   2.9865   0.6262  466.170  136.051  776.890   89.216 -310.7199 162.6938 
1 1 1  -26   22   13 o  378.751  108.806   0.7480   0.3993   0.9875   0.5757   0.5261   0.5542  427.371  132.585  341.855  129.016 85.51620 184.9972 
1 1 1  -26   22   14 o  351.695  112.151   0.6380   0.4092   0.8639   0.5881   0.4259   0.5697  401.940  134.844  326.358  128.726 75.58282 186.4219 
1 1 1  -26   22   15 o  613.169   85.772   1.8780   0.4707   1.3692   0.6562   2.4173   0.6756  492.826  138.790  679.657  111.919 -186.8315 178.2936 
1 1 1  -26   22   16 o  575.574   96.752   1.6972   0.4942   0.9379   0.6786   2.5548   0.7213  413.125  144.648  693.735  117.161 -280.6093 186.1447 
1 1 1  -26   24    1 o  545.799  190.910   2.2066   1.1820   3.5956   1.5417   0.2261   1.8409  659.525  218.241  399.743  189.098 259.7813 288.7685 
1 1 1  -26   24    2 o  601.896   70.915   1.7890   0.3852   0.8168   1.3934   1.8694   0.4008  416.624  184.286  614.651   72.251 -198.0269 197.9434 
1 1 1  -26   24    3 o  449.424   56.586   0.9769   0.2288   0.9343   0.3883   0.9996   0.2832  418.836  101.750  448.720   70.957 -29.88388 124.0478 
1 1 1  -26   24    4 o  560.432   55.214   1.5064   0.2810   1.1881   0.4995   1.6538   0.3399  466.047  116.731  583.317   64.407 -117.2698 133.3208 
1 1 1  -26   24    5 o  447.588   71.046   0.9907   0.2828   1.0552   0.5263   0.9645   0.3354  436.237  124.810  434.478   86.921 1.758087 152.0948 
1 1 1  -26   24    6 o  876.409   50.423   3.6375   0.4049   3.7928   0.7123   3.5634   0.4922  868.536   90.455  860.853   62.561 7.682190 109.9817 
1 1 1  -26   24    7 o  731.598   60.103   2.5678   0.4010   2.3635   0.6966   2.6690   0.4904  665.034  118.170  738.894   73.092 -73.85950 138.9487 
1 1 1  -26   24    8 o  424.808   91.225   0.9279   0.3459   1.1580   0.6053   0.8163   0.4216  453.644  134.995  390.804  111.668 62.83939 175.1949 
1 1 1  -26   24    9 o  361.142  126.112   0.6764   0.5157   0.4754   1.6239   0.6990   0.5438  424.279  192.391  366.655  129.400 57.62436 231.8593 
1 1 1  -26   24   10 o  193.909   88.793  -0.1853   0.3569  -0.3697   0.5896  -0.0787   0.4484  237.173  110.527  231.930  103.453 5.242996 151.3894 
1 1 1  -26   24   11 o  225.789  103.882  -0.2448   0.4965  -0.1114   0.6235  -0.4763   0.8211  266.673  120.220  274.498  128.732 -7.824615 176.1389 
1 1 1  -26   24   12 o  305.832  110.952   0.4470   0.4028   1.2588   0.6696  -0.0134   0.5042  465.034  142.773  251.686  111.115 213.3481 180.9165 
1 1 1  -26   24   13 o  784.879   69.753   3.0083   0.4985   4.4906   0.8136   2.1173   0.6308  937.619   95.644  628.714  113.198 308.9043 148.1945 
1 1 1  -26   24   14 o  472.509  106.179   1.1948   0.4504   0.6181   0.6221   1.8300   0.6529  353.720  135.927  571.818  127.357 -218.0987 186.2690 
1 1 1  -26   26    1 o  430.087  180.015   1.5367   1.1949   0.7496   1.5674   2.6290   1.8464  377.737  177.378  473.073  210.551 -95.33588 275.3083 
1 1 1  -26   26    2 o  494.193   57.352   1.1992   0.2560   0.6485   0.3796   1.6582   0.3466  338.724  108.024  576.095   66.604 -237.3705 126.9063 
1 1 1  -26   26    3 o  355.385   81.549   0.6637   0.2610   0.9495   0.4270   0.4932   0.3298  408.086  110.846  303.307  100.968 104.7788 149.9383 
1 1 1  -26   26    4 o  528.110   64.938   1.3815   0.3089   1.1622   0.5186   1.5021   0.3846  445.235  122.666  541.868   79.495 -96.63290 146.1730 
1 1 1  -26   26    5 o  334.132   89.377   0.5939   0.2802   0.0248   0.5137   0.8349   0.3342  251.929  111.643  394.708   93.469 -142.7791 145.6042 
1 1 1  -26   26    6 o  349.097   96.957   0.6577   0.3226  -0.0892   0.5424   1.0664   0.4012  246.046  111.414  443.563  100.616 -197.5168 150.1218 
1 1 1  -26   26    7 o  289.246   98.621   0.4279   0.3146  -0.2665   0.5488   0.7679   0.3840  231.226  107.380  373.153  106.557 -141.9265 151.2768 
1 1 1  -26   26    8 o  179.788   83.712  -0.2320   0.3371  -0.4976   0.5881  -0.1020   0.4114  221.808  105.490  215.567   97.374 6.241745 143.5615 
1 1 1  -26   26    9 o  481.195  113.713   1.2931   0.4955   0.8695   1.6618   1.3344   0.5191  417.672  191.379  486.267  117.362 -68.59549 224.4989 
1 1 1  -26   26   10 f  182.104   85.817  -0.3165   0.3727  -0.1709   0.6415  -0.3906   0.4579  258.225  118.537  199.183   94.248 59.04285 151.4388 
1 1 1  -26   26   11 o  420.030  130.350   1.0395   0.5564   2.1890   0.7594  -0.2932   0.8176  605.333  139.233  278.138  129.796 327.1952 190.3495 
1 1 1  -26   26   12 o  416.930  195.942   0.6928   1.9193   0.6928   1.9193   0.0000   0.0000  416.930  195.942  ?   ?  0.000000 195.9421 
1 1 1  -26   28    1 o  563.678   54.418   1.5777   0.2787   1.7288   0.4250   1.4636   0.3692  563.049   84.658  522.411   79.304 40.63818 116.0004 
1 1 1  -26   28    2 o  510.138   65.708   1.3296   0.3013   0.9981   0.4472   1.6052   0.4077  399.714  115.246  545.137   83.966 -145.4232 142.5907 
1 1 1  -26   28    3 o  208.860   88.303   0.1094   0.2922   0.5376   0.4686  -0.1631   0.3738  306.345  117.905  191.982   88.966 114.3632 147.7042 
1 1 1  -26   28    4 o  226.854   98.789   0.0891   0.3864  -0.2255   0.4838   0.6433   0.6420  212.584   99.415  330.126  134.416 -117.5423 167.1856 
1 1 1  -26   28    5 o  528.834   99.607   1.5630   0.4669   1.7432   0.6223   1.3310   0.7062  526.772  129.341  434.146  147.754 92.62613 196.3682 
1 1 1  -26   28    6 o  421.098   95.504   0.9839   0.3615  -0.1402   0.6139   1.5807   0.4473  246.608  114.188  538.605   93.662 -291.9971 147.6870 
1 1 1  -26   28    7 o  358.975  165.053   0.6074   1.2507  -0.2941   1.6865   1.7090   1.8643  339.345  165.554  421.742  196.536 -82.39713 256.9718 
1 1 1  -26   28    8 o  327.706  156.979  -0.1489   1.3525   1.1111   2.1286  -1.0021   1.7516  401.907  193.656  323.977  160.145 77.92996 251.2947 
1 1 1  -25    1    1 o  483.048   86.189   1.1650   0.3690   1.1671   0.5241   1.1631   0.5197  468.520  120.801  467.996  120.087 0.5244751 170.3343 
1 1 1  -25    1    2 o  426.163   93.776   0.9212   0.3578   0.9577   0.5211   0.8886   0.4921  425.500  124.901  411.321  121.560 14.17889 174.2899 
1 1 1  -25    1    3 o  628.276   68.997   1.8983   0.3923   1.9706   0.5406   1.8178   0.5703  627.865   96.666  596.987  107.777 30.87744 144.7766 
1 1 1  -25    1    4 o  364.332  110.275   0.6738   0.4014   0.9177   0.5130   0.2889   0.6444  419.272  124.173  324.227  133.642 95.04492 182.4256 
1 1 1  -25    1    5 o  628.877   79.012   1.9201   0.4471   1.8673   0.5349   2.0426   0.8146  611.597   98.385  613.917  146.283 -2.320129 176.2903 
1 1 1  -25    1    6 o  735.324   73.632   2.5961   0.4915   3.1528   0.6343   1.7598   0.7775  804.637   87.062  569.947  147.221 234.6896 171.0372 
1 1 1  -25    1    7 o  320.676  111.157   0.4763   0.4003   1.6666   0.7883   0.0628   0.4646  554.377  150.612  260.046  110.705 294.3315 186.9213 
1 1 1  -25    1    8 o  1129.33   61.482   6.0145   0.6365   6.8482   1.1581   5.6536   0.7619  1176.34  108.202  1087.52   76.626 88.81445 132.5862 
1 1 1  -25    1    9 o  356.361  108.074   0.6317   0.3852   0.7216   0.5338   0.5340   0.5566  383.806  128.461  351.635  129.971 32.17136 182.7419 
1 1 1  -25    1   10 o  353.144  109.277   0.6150   0.3914   0.7979   0.5459   0.4216   0.5614  400.223  129.735  334.453  128.965 65.77066 182.9295 
1 1 1  -25    1   11 o  718.299   73.288   2.4614   0.4776   2.8393   0.6836   2.1009   0.6676  761.029  100.046  645.812  116.630 115.2162 153.6615 
1 1 1  -25    1   12 o  761.221   81.636   2.7787   0.5629   3.4587   0.7045   1.5786   0.9360  845.781   92.013  544.197  169.087 301.5833 192.5016 
1 1 1  -25    1   13 o  1287.82   66.052   7.7975   0.7801   7.1279   0.9493   9.1901   1.3690  1222.58   84.907  1373.72  109.203 -151.1362 138.3281 
1 1 1  -25    1   14 o  571.281   94.631   1.5924   0.4800   0.8449   0.6600   2.4318   0.6994  420.577  142.843  702.004  112.043 -281.4268 181.5422 
1 1 1  -25    1   15 o  454.044  111.025   1.0280   0.4600   1.2608   0.6815   0.8331   0.6235  498.307  141.828  417.630  138.813 80.67722 198.4546 
1 1 1  -25    1   16 o  539.539  106.320   1.4310   0.5091   0.3950   0.6931   2.6450   0.7502  358.285  141.767  735.452  114.588 -377.1667 182.2859 
1 1 1  -25    1   17 o  571.757  120.794   1.6222   0.6156   3.1878   1.0756   0.8595   0.7507  794.407  152.690  435.304  152.154 359.1031 215.5572 
1 1 1  -25    1   18 o  1209.82   73.933   6.8654   0.8191   0.0000   0.0000   6.8654   0.8191  ?   ?   1209.82   73.933 0.000000 73.93344 
1 1 1  -25    1   19 o  1222.42   66.904   6.9877   0.7497   7.5250   1.1203   6.5521   1.0089  1257.50   97.587  1174.30   94.158 83.20654 135.6060 
1 1 1  -25    1   20 o  860.152   66.943   3.4737   0.5257   3.9445   0.7708   3.0643   0.7187  908.652   93.526  797.536  100.147 111.1158 137.0269 
1 1 1  -25    1   21 o  1007.24   82.264   4.8133   0.7558   5.9531   1.1867   4.0355   0.9803  1103.85  118.698  905.957  120.592 197.8955 169.2090 
1 1 1  -25    1   22 o  507.305  125.041   1.3091   0.5800   1.6239   0.8522   1.0375   0.7915  556.080  158.718  459.703  156.422 96.37750 222.8436 
1 1 1  -25    1   23 o  814.749   77.401   3.1700   0.5733   2.6963   0.7861   3.7081   0.8379  731.935  120.945  868.052  107.180 -136.1166 161.6016 
1 1 1  -25    1   24 o  1055.07  133.431   5.6778   1.2664   5.7842   1.8531   5.5845   1.7348  999.462  208.256  992.695  196.868 6.767639 286.5794 
1 1 1  -25    3    1 o  833.041   84.838   3.4059   0.6412   3.4059   0.6412   0.0000   0.0000  833.041   84.838  ?   ?  0.000000 84.83838 
1 1 1  -25    3    2 o  1470.97   65.476   10.282   0.8862   10.282   0.8862   0.0000   0.0000  1470.97   65.476  ?   ?  0.000000 65.47568 
1 1 1  -25    3    3 o  987.573   64.634   4.6417   0.5841   4.7213   0.6861   4.4321   1.1133  989.874   75.908  915.460  136.320 74.41364 156.0297 
1 1 1  -25    3    4 o  334.052  111.575   0.5434   0.4026   0.5550   0.4894   0.5191   0.7085  344.288  122.616  363.566  143.501 -19.27789 188.7517 
1 1 1  -25    3    5 o  1272.71   49.667   7.5753   0.5817   7.3988   0.8152   7.7582   0.8302  1245.21   71.445  1275.45   71.017 -30.24182 100.7363 
1 1 1  -25    3    6 o  1499.96   48.283   10.506   0.6664   10.865   0.9574   10.170   0.9281  1513.90   68.730  1464.60   68.869 49.30151 97.29733 
1 1 1  -25    3    7 o  301.271  109.018   0.3934   0.3885   0.4603   0.5000   0.2914   0.6171  330.016  122.951  322.100  131.535 7.915588 180.0508 
1 1 1  -25    3    8 o  366.108  127.305   0.6370   0.5252   0.9146   0.7656   0.3903   0.7219  430.709  153.369  352.335  142.875 78.37421 209.6073 
1 1 1  -25    3    9 o  817.186   75.211   3.1942   0.5592   1.8964   0.9263   3.9384   0.7014  587.872  164.677  903.310   85.400 -315.4382 185.5036 
1 1 1  -25    3   10 o  237.678   97.949   0.1069   0.3461   0.0952   0.4846   0.1190   0.4944  270.604  114.027  276.145  115.704 -5.540375 162.4487 
1 1 1  -25    3   11 o  1199.08   55.600   6.7187   0.6135   6.4298   0.8426   7.0447   0.8949  1161.34   79.321  1215.20   80.491 -53.86060 113.0072 
1 1 1  -25    3   12 o  324.127  112.428   0.4752   0.4095   0.4988   0.5647   0.4489   0.5947  349.207  130.553  345.412  132.858 3.795135 186.2670 
1 1 1  -25    3   13 f  512.812   98.291   1.2989   0.4469   0.9892   0.6158   1.6436   0.6496  443.014  137.073  567.683  127.483 -124.6697 187.1922 
1 1 1  -25    3   14 o  652.227   83.431   2.0415   0.4892   1.4898   0.6538   2.7434   0.7375  540.205  132.535  747.212  110.600 -207.0073 172.6200 
1 1 1  -25    3   15 o  1084.93   64.308   5.5138   0.6391   4.4539   0.8865   6.6608   0.9223  961.537  101.746  1185.17   85.135 -223.6296 132.6660 
1 1 1  -25    3   16 o  791.810   67.621   2.9466   0.4880   3.8389   0.8098   2.4378   0.6115  894.353  100.114  711.852   95.779 182.5007 138.5513 
1 1 1  -25    3   17 o  803.818   67.194   3.0326   0.4924   3.2809   0.8232   2.8943   0.6145  822.738  111.626  779.905   87.116 42.83307 141.5959 
1 1 1  -25    3   18 o  852.562   75.553   3.4257   0.5866   2.3424   1.1336   3.8217   0.6855  670.144  180.013  898.461   83.883 -228.3164 198.5977 
1 1 1  -25    3   19 o  266.522  111.594   0.0820   0.4594   0.9339   0.7096  -0.5330   0.6029  443.544  148.115  238.391  111.317 205.1524 185.2823 
1 1 1  -25    3   20 o  880.521   73.514   3.6553   0.5902   4.2071   0.9393   3.2953   0.7587  931.174  111.859  826.518  101.911 104.6555 151.3217 
1 1 1  -25    3   21 o  545.392  126.965   1.5042   0.6253   0.8475   0.8950   2.1303   0.8739  442.721  164.580  642.054  150.531 -199.3326 223.0383 
1 1 1  -25    3   22 o  783.164   97.427   2.9775   0.6869   2.6853   0.9356   3.3192   1.0117  720.841  146.064  805.875  141.604 -85.03333 203.4363 
1 1 1  -25    3   23 o  1379.26   65.095   8.9396   0.8261   10.600   1.4001   8.0527   1.0233  1475.20  103.803  1296.29   86.281 178.9102 134.9793 
1 1 1  -25    3   24 o  362.385  146.595   0.4176   0.7580   2.6430   1.3774  -0.5490   0.9078  670.830  204.561  299.025  138.597 371.8043 247.0911 
1 1 1  -25    5    1 o  539.277   76.422   1.4250   0.3686   2.3438   0.5605   0.7248   0.4893  686.197   91.017  375.022  122.895 311.1748 152.9288 
1 1 1  -25    5    2 o  995.464   59.392   4.6997   0.5415   4.7318   0.6899   4.6482   0.8740  989.337   76.380  964.329   99.951 25.00739 125.7938 
1 1 1  -25    5    3 o  1190.68   54.957   6.6693   0.6021   6.3582   0.7522   7.2240   1.0045  1152.02   71.312  1213.78   90.594 -61.75989 115.2940 
1 1 1  -25    5    4 o  662.343   68.317   2.1050   0.4104   2.0781   0.5793   2.1321   0.5815  642.948  101.269  652.001  100.117 -9.053040 142.4041 
1 1 1  -25    5    5 o  854.895   70.491   3.4972   0.5496   3.9586   0.6674   2.5250   0.9687  904.437   81.049  674.476  158.729 229.9604 178.2239 
1 1 1  -25    5    6 o  1651.64   55.671   12.804   0.8461   11.947   0.9960   15.026   1.6035  1587.56   68.181  1748.72  100.070 -161.1598 121.0888 
1 1 1  -25    5    7 o  1264.86   50.960   7.4798   0.5931   9.0286   0.8997   6.2895   0.7888  1377.58   71.221  1146.99   75.150 230.5887 103.5377 
1 1 1  -25    5    8 o  825.720   62.530   3.2269   0.4716   3.2776   0.6744   3.1784   0.6597  819.826   90.924  807.489   90.335 12.33716 128.1703 
1 1 1  -25    5    9 o  902.362   69.184   3.8686   0.5701   3.9125   1.0007   3.8475   0.6936  875.774  127.959  892.561   85.499 -16.78607 153.8947 
1 1 1  -25    5   10 o  348.011  117.174   0.5759   0.4441   1.1824   0.7605   0.2620   0.5471  476.153  153.001  307.512  124.492 168.6410 197.2498 
1 1 1  -25    5   11 o  1041.58   58.394   5.0929   0.5574   4.8616   0.7577   5.3658   0.8229  1007.67   82.440  1057.50   85.293 -49.82648 118.6224 
1 1 1  -25    5   12 o  1104.27   59.273   5.7197   0.6001   6.2126   0.8407   5.2077   0.8568  1141.96   80.521  1040.39   90.401 101.5730 121.0615 
1 1 1  -25    5   13 o  813.724   71.379   3.1368   0.5291   3.6545   0.7456   2.6118   0.7509  869.719   94.692  724.612  116.565 145.1076 150.1802 
1 1 1  -25    5   14 o  977.922   65.177   4.4927   0.5831   4.3465   0.8154   4.6457   0.8343  951.150   94.415  984.125   93.239 -32.97437 132.6937 
1 1 1  -25    5   15 o  1314.23   50.855   8.0184   0.6150   8.7000   1.0157   7.6239   0.7728  1357.07   81.720  1275.94   66.044 81.13049 105.0711 
1 1 1  -25    5   16 o  420.185  102.650   0.8715   0.3935   0.6162   0.6698   1.0060   0.4863  387.341  142.686  449.746  116.547 -62.40448 184.2350 
1 1 1  -25    5   17 o  633.091   92.762   1.9284   0.5244   1.8801   1.0241   1.9455   0.6104  603.354  174.536  630.983  109.082 -27.62897 205.8196 
1 1 1  -25    5   18 o  1069.72   61.739   5.3428   0.6051   4.8530   0.9731   5.6516   0.7727  1004.69  106.904  1095.91   77.116 -91.21973 131.8162 
1 1 1  -25    5   19 o  328.995  115.270   0.4697   0.4310   0.8888   0.7562   0.2682   0.5245  439.260  152.759  309.210  123.018 130.0506 196.1339 
1 1 1  -25    5   20 f  615.705  126.444   1.8999   0.6924   1.6586   0.8834   2.2843   1.1148  566.269  161.591  656.772  179.395 -90.50293 241.4418 
1 1 1  -25    5   21 o  649.971  100.031   2.0616   0.5791   2.6645   0.9507   1.7061   0.7301  719.334  148.557  576.526  139.208 142.8088 203.5877 
1 1 1  -25    5   22 o  442.576  152.418   0.9557   0.7520   1.1961   1.3074   0.8368   0.9193  510.286  196.792  438.699  166.023 71.58731 257.4702 
1 1 1  -25    5   23 o  1373.88   59.560   8.8466   0.7530   9.6591   1.1055   8.1434   1.0284  1419.91   85.001  1302.58   86.287 117.3230 121.1223 
1 1 1  -25    5   24 o  301.177  137.937  -0.3912   0.8619  -0.0179   1.2348  -0.7458   1.2036  387.408  172.316  336.346  157.134 51.06256 233.2033 
1 1 1  -25    7    1 o  1012.48   49.888   4.8138   0.4648   4.6124   0.6398   5.0388   0.6763  978.410   71.561  1022.32   72.365 -43.90674 101.7728 
1 1 1  -25    7    2 o  1645.18   43.687   12.641   0.6614   13.364   0.9497   11.960   0.9215  1679.40   61.458  1587.46   63.084 91.94019 88.07256 
1 1 1  -25    7    3 o  608.774   70.086   1.7889   0.3854   1.2641   0.5251   2.4019   0.5675  490.281  117.854  696.435   90.714 -206.1538 148.7230 
1 1 1  -25    7    4 o  246.813   98.696   0.1782   0.3393   0.1493   0.4943   0.2039   0.4666  276.853  115.817  279.219  114.238 -2.366058 162.6772 
1 1 1  -25    7    5 o  958.096   54.506   4.3231   0.4785   3.9590   0.6919   4.6571   0.6626  902.346   84.309  985.352   73.605 -83.00549 111.9184 
1 1 1  -25    7    6 o  1052.50   53.784   5.2069   0.5191   4.4862   0.7175   5.9986   0.7520  963.398   81.711  1119.91   73.384 -156.5127 109.8271 
1 1 1  -25    7    7 o  552.860  103.173   1.5398   0.5056   1.4294   0.5922   1.8369   0.9710  522.919  124.799  571.101  171.221 -48.18188 211.8761 
1 1 1  -25    7    8 o  421.665   94.484   0.8924   0.3575   0.5083   0.4915   1.3241   0.5210  338.060  122.575  508.133  114.211 -170.0729 167.5369 
1 1 1  -25    7    9 o  846.493   61.835   3.3854   0.4783   3.9119   0.7017   2.9283   0.6538  899.809   85.783  773.850   93.721 125.9592 127.0524 
1 1 1  -25    7   10 o  1225.73   63.149   7.0790   0.7098   5.4059   1.1260   8.1823   0.9144  1038.99  119.983  1311.17   76.118 -272.1827 142.0908 
1 1 1  -25    7   11 o  755.709   70.882   2.7164   0.4871   3.0574   0.6997   2.3957   0.6786  790.826   98.277  693.612  109.992 97.21417 147.5009 
1 1 1  -25    7   12 o  530.382   95.732   1.3864   0.4500   2.1456   0.6667   0.7510   0.6099  654.845  114.830  397.723  137.251 257.1222 178.9525 
1 1 1  -25    7   13 o  546.470   78.546   1.4367   0.3836   1.7834   0.6235   1.2255   0.4866  596.062  117.854  494.578  109.789 101.4838 161.0690 
1 1 1  -25    7   14 o  1943.91   46.386   17.530   0.8297   16.744   1.2888   18.086   1.0843  1887.73   74.197  1969.13   59.841 -81.39990 95.32098 
1 1 1  -25    7   15 o  791.323   65.771   2.9428   0.4746   3.4058   0.8023   2.6935   0.5886  838.429  106.381  750.937   86.782 87.49207 137.2877 
1 1 1  -25    7   16 o  410.513  116.734   0.8311   0.4619   1.2912   0.9196   0.6758   0.5341  511.442  168.525  382.266  128.502 129.1756 211.9281 
1 1 1  -25    7   17 o  502.290  110.744   1.2485   0.4981   3.5734   1.1380   0.6977   0.5539  840.842  152.713  388.563  130.865 452.2796 201.1140 
1 1 1  -25    7   18 o  704.837   77.178   2.3550   0.4924   2.9536   0.8105   2.0049   0.6199  776.994  116.983  640.142  109.150 136.8516 159.9966 
1 1 1  -25    7   19 o  999.498   73.860   4.7052   0.6745   5.3319   1.0356   4.2435   0.8888  1050.78  108.678  937.933  104.778 112.8430 150.9614 
1 1 1  -25    7   20 o  255.008  113.431  -0.1536   0.5351   0.4627   0.7319  -0.8613   0.7843  371.285  146.076  257.705  122.349 113.5797 190.5450 
1 1 1  -25    7   21 o  642.617   98.130   2.0175   0.5619   2.5959   0.9098   1.6610   0.7143  709.782  144.226  567.583  138.091 142.1985 199.6756 
1 1 1  -25    7   22 o  299.319  125.579   0.1431   0.5837   0.2673   0.7604  -0.0350   0.9107  346.755  144.236  341.458  150.098 5.297363 208.1665 
1 1 1  -25    7   23 o  578.180  105.912   1.6760   0.5427   1.7300   0.7736   1.6237   0.7616  569.461  146.723  551.493  147.290 17.96790 207.8984 
1 1 1  -25    9    1 o  229.914   98.640   0.0341   0.3741   0.0840   0.4134  -0.1912   0.8789  247.357  104.828  310.933  141.204 -63.57608 175.8622 
1 1 1  -25    9    2 o  439.420  102.852   0.9974   0.4085   1.1464   0.4551   0.3792   0.9271  469.655  107.611  369.343  156.782 100.3116 190.1597 
1 1 1  -25    9    3 o  1113.75   49.181   5.8135   0.5040   5.1482   0.6797   6.6264   0.7513  1035.26   71.792  1176.44   69.713 -141.1781 100.0697 
1 1 1  -25    9    4 o  683.400   64.542   2.2323   0.4011   2.1532   0.5699   2.3100   0.5645  655.982   97.377  682.530   92.243 -26.54724 134.1306 
1 1 1  -25    9    5 o  474.316   84.786   1.1152   0.3565   0.7552   0.5079   1.4646   0.5004  384.977  125.165  536.146  105.189 -151.1688 163.4959 
1 1 1  -25    9    6 o  1166.83   50.410   6.3707   0.5412   6.7675   0.7778   5.9981   0.7536  1190.77   71.315  1119.52   73.566 71.25854 102.4590 
1 1 1  -25    9    7 o  557.346   78.631   1.5108   0.3921   1.2954   0.5572   1.7220   0.5517  498.222  122.425  583.596  106.667 -85.37427 162.3750 
1 1 1  -25    9    8 f  900.931   73.451   3.8795   0.6036   3.8051   0.7267   4.0451   1.0841  883.713   90.647  880.938  138.292 2.774963 165.3525 
1 1 1  -25    9    9 o  305.599  104.736   0.4302   0.3549   0.3392   0.5021   0.5211   0.5016  310.512  121.338  342.315  123.879 -31.80255 173.4037 
1 1 1  -25    9   10 o  348.140   94.552   0.6042   0.3107   0.4567   0.5258   0.6833   0.3852  334.829  125.821  369.322  107.094 -34.49258 165.2274 
1 1 1  -25    9   11 o  712.637   87.896   2.4595   0.5642   3.1022   1.0051   2.1639   0.6817  770.688  147.102  655.353  117.347 115.3353 188.1739 
1 1 1  -25    9   12 o  874.594   56.891   3.5864   0.4554   3.7406   0.7392   3.4920   0.5781  880.076   92.667  857.457   73.991 22.61896 118.5825 
1 1 1  -25    9   13 o  882.256   60.000   3.6511   0.4842   3.8342   0.7947   3.5430   0.6106  890.164   98.685  863.479   77.682 26.68518 125.5916 
1 1 1  -25    9   14 o  912.655   60.526   3.9007   0.5054   4.7628   0.8476   3.4250   0.6296  997.459   93.434  848.739   81.623 148.7207 124.0650 
1 1 1  -25    9   15 o  1211.81   61.749   6.8611   0.6863   7.7700   1.4518   6.5995   0.7788  1260.08  126.937  1185.26   71.742 74.82373 145.8079 
1 1 1  -25    9   16 o  831.165   73.795   3.2589   0.5585   3.0089   1.1310   3.3396   0.6423  762.796  165.860  838.335   84.412 -75.53949 186.1047 
1 1 1  -25    9   17 o  656.751   81.926   2.0572   0.4843   2.6612   0.8032   1.7121   0.6071  733.901  123.309  587.897  116.350 146.0035 169.5355 
1 1 1  -25    9   18 o  799.578   74.227   3.0210   0.5399   4.5343   0.9433   2.2838   0.6584  968.472  107.676  683.617  108.273 284.8554 152.6996 
1 1 1  -25    9   19 o  444.479  114.316   0.9881   0.4702   0.6196   0.6239   1.4724   0.7153  380.224  138.071  536.156  142.531 -155.9320 198.4403 
1 1 1  -25    9   20 o  976.203   83.853   4.5428   0.7459   4.9833   1.0708   4.1276   1.0396  1006.39  117.867  909.789  127.701 96.60553 173.7820 
1 1 1  -25    9   21 o  303.942  114.617   0.3543   0.4371   0.2531   0.6087   0.4621   0.6282  319.332  130.550  352.410  136.268 -33.07852 188.7120 
1 1 1  -25    9   22 o  541.798  135.274   1.5380   0.6723   2.1154   0.9494   0.9572   0.9522  622.568  163.595  451.681  169.397 170.8875 235.4966 
1 1 1  -25    9   23 o  223.506  106.174  -0.6380   0.5923  -0.8451   0.7651  -0.3281   0.9358  250.075  119.320  318.351  145.009 -68.27664 187.7889 
1 1 1  -25   11    1 o  200.811   85.558   0.0285   0.2779   0.0937   0.3877  -0.0405   0.3986  242.472  102.070  225.871   99.296 16.60114 142.4012 
1 1 1  -25   11    2 o  720.188   57.000   2.4634   0.3746   2.3508   0.5173   2.5876   0.5433  691.612   82.945  726.052   82.801 -34.44043 117.1998 
1 1 1  -25   11    3 o  763.338   56.668   2.7618   0.3952   2.3544   0.5405   3.2299   0.5793  690.841   86.949  815.465   78.162 -124.6239 116.9164 
1 1 1  -25   11    4 o  360.989   98.434   0.6644   0.3360   1.1333   0.4856   0.2340   0.4653  465.687  114.201  283.256  114.763 182.4309 161.9028 
1 1 1  -25   11    5 o  464.741   85.740   1.0737   0.3532   1.8969   0.5211   0.3746   0.4802  616.909   94.838  309.858  119.334 307.0513 152.4300 
1 1 1  -25   11    6 o  595.674   94.440   1.7652   0.5004   2.1115   0.5957   0.9356   0.9220  648.076  103.371  438.766  166.219 209.3095 195.7403 
1 1 1  -25   11    7 o  1101.61   63.930   5.7478   0.6452   5.8239   0.7674   5.5643   1.1919  1102.39   76.121  1041.75  126.969 60.63745 148.0390 
1 1 1  -25   11    8 o  787.022   61.220   2.9312   0.4399   3.0556   0.6585   2.8309   0.5911  790.171   92.301  763.408   85.622 26.76373 125.8994 
1 1 1  -25   11    9 o  505.664   77.031   1.2411   0.3471   1.1478   0.5815   1.2927   0.4326  469.126  130.140  509.625   95.771 -40.49860 161.5813 
1 1 1  -25   11   10 o  507.153   76.130   1.2443   0.3443   1.8992   0.5873   0.9014   0.4250  616.330  107.471  421.642  108.806 194.6886 152.9340 
1 1 1  -25   11   11 o  259.821  110.288   0.0577   0.4587   0.1110   0.7833   0.0299   0.5660  333.638  142.926  281.462  121.059 52.17609 187.3051 
1 1 1  -25   11   12 o  640.026   74.390   1.9549   0.4299   1.5126   0.6724   2.2608   0.5592  541.642  135.311  683.100   91.237 -141.4578 163.1968 
1 1 1  -25   11   13 f  893.339   61.232   3.7432   0.5003   3.5049   0.7929   3.9009   0.6449  849.365  103.602  906.744   78.050 -57.37921 129.7119 
1 1 1  -25   11   14 o  702.991   78.258   2.3513   0.4976   2.9112   1.0491   2.1887   0.5653  750.900  156.889  673.131   93.814 77.76904 182.7982 
1 1 1  -25   11   15 o  1701.14   56.043   13.460   0.8773   15.222   1.8202   12.927   1.0012  1777.44  111.860  1663.86   65.395 113.5806 129.5730 
1 1 1  -25   11   16 o  1547.83   47.328   11.108   0.6741   9.3364   0.9028   13.340   1.0133  1412.76   69.450  1690.39   65.144 -277.6383 95.22107 
1 1 1  -25   11   17 f  233.227   99.121   0.0244   0.3713   0.4010   0.5206  -0.3656   0.5298  329.206  124.853  232.515  107.100 96.69083 164.4953 
1 1 1  -25   11   18 o  1141.22   59.747   6.0892   0.6252   5.9901   0.8196   6.2272   0.9670  1124.93   79.695  1141.44   92.873 -16.51892 122.3791 
1 1 1  -25   11   19 o  1676.55   51.399   13.076   0.7929   13.800   1.1350   12.385   1.1082  1713.34   71.995  1622.06   74.247 91.27625 103.4211 
1 1 1  -25   11   20 o  367.914  132.012   0.6048   0.5682   0.7417   0.7933   0.4605   0.8143  413.191  154.685  378.823  152.400 34.36823 217.1478 
1 1 1  -25   11   21 o  523.172  104.430   1.3737   0.4851   1.2752   0.6776   1.4774   0.6949  492.514  141.819  529.356  140.370 -36.84177 199.5408 
1 1 1  -25   11   22 o  384.525  141.329   0.6767   0.6566  -0.1099   0.8628   1.7591   1.0121  322.735  143.761  560.028  176.126 -237.2927 227.3496 
1 1 1  -25   13    1 o  624.794   58.977   1.8638   0.3351   1.3832   0.4584   2.4151   0.4909  520.065   99.415  703.419   77.114 -183.3536 125.8172 
1 1 1  -25   13    2 o  192.861   83.315  -0.0041   0.2704  -0.4833   0.3725   0.5302   0.3933  171.008   82.039  328.116  110.269 -157.1082 137.4396 
1 1 1  -25   13    3 o  419.426   83.309   0.8790   0.3102   1.1326   0.4491   0.6476   0.4289  467.687  106.711  357.122  114.924 110.5644 156.8271 
1 1 1  -25   13    4 o  259.728   94.788   0.2843   0.2946   0.5676   0.4372   0.0486   0.3987  340.964  116.246  239.678  102.307 101.2865 154.8545 
1 1 1  -25   13    5 o  600.369   67.380   1.7311   0.3658   1.7601   0.5263   1.7040   0.5088  591.167  100.346  582.380   98.450 8.786621 140.5769 
1 1 1  -25   13    6 o  676.704   55.058   2.1634   0.3399   2.2539   0.5645   2.1119   0.4257  675.036   93.376  662.943   70.878 12.09271 117.2295 
1 1 1  -25   13    7 o  899.994   48.312   3.7927   0.3986   3.7483   0.6819   3.8157   0.4913  878.765   85.409  898.622   59.761 -19.85754 104.2408 
1 1 1  -25   13    8 o  671.767   57.402   2.1318   0.3514   2.4529   0.6298   1.9866   0.4235  703.552  100.111  643.231   72.828 60.32147 123.7988 
1 1 1  -25   13    9 o  505.674   84.516   1.2520   0.3794   1.2053   0.5659   1.2902   0.5113  482.048  126.120  503.076  113.192 -21.02835 169.4662 
1 1 1  -25   13   10 o  850.150   55.492   3.3914   0.4317   4.3057   0.7281   2.8956   0.5362  946.884   84.446  778.581   75.798 168.3037 113.4750 
1 1 1  -25   13   11 o  248.967  114.130  -0.3443   0.5919  -0.3538   0.7377  -0.3272   0.9918  281.869  128.528  332.974  150.728 -51.10458 198.0869 
1 1 1  -25   13   12 o  1125.41   89.367   6.0575   0.9178   5.9797   1.2011   6.1666   1.4229  1101.43  120.476  1103.93  143.471 -2.502075 187.3455 
1 1 1  -25   13   13 o  868.889   68.957   3.5594   0.5468   2.8795   1.0113   3.8402   0.6500  746.880  152.320  899.280   79.363 -152.3998 171.7553 
1 1 1  -25   13   14 o  691.014   64.414   2.2496   0.4049   1.6737   0.5491   2.9358   0.5993  582.813  106.301  784.205   84.385 -201.3920 135.7227 
1 1 1  -25   13   15 o  1073.08   50.820   5.3489   0.5018   6.0560   0.7304   4.7168   0.6906  1134.81   70.290  999.213   75.672 135.6003 103.2808 
1 1 1  -25   13   16 o  1238.67   52.051   7.1320   0.5933   7.9774   0.8620   6.3710   0.8178  1302.00   72.230  1161.33   76.966 140.6708 105.5506 
1 1 1  -25   13   17 o  222.567   99.272  -0.1382   0.4129  -0.2536   0.5530   0.0071   0.6206  248.781  112.590  292.944  126.380 -44.16373 169.2579 
1 1 1  -25   13   18 o  399.161  111.888   0.7965   0.4275   0.7713   0.6134   0.8203   0.5961  402.889  137.700  410.589  135.696 -7.700104 193.3256 
1 1 1  -25   13   19 o  1083.61   62.541   5.5227   0.6209   5.4980   0.8516   5.5508   0.9073  1070.29   87.234  1072.54   92.847 -2.251221 127.3987 
1 1 1  -25   13   20 o  402.806  132.815   0.8080   0.5712   0.2404   0.8195   1.3441   0.7965  351.068  148.123  502.435  155.957 -151.3672 215.0883 
1 1 1  -25   13   21 o  934.866   69.484   4.1624   0.5935   3.6170   0.8339   4.7221   0.8448  850.365  109.085  982.305   94.629 -131.9398 144.4098 
1 1 1  -25   15    1 o  435.836   69.091   0.9274   0.2678   0.9788   0.3832   0.8784   0.3745  436.982   97.751  412.910   99.697 24.07205 139.6239 
1 1 1  -25   15    2 o  350.437   86.258   0.6204   0.2763   0.5910   0.3834   0.6522   0.3985  342.085  108.494  357.053  110.230 -14.96814 154.6665 
1 1 1  -25   15    3 o  483.938   55.515   1.1161   0.2427   0.8672   0.4205   1.2404   0.2973  408.505  109.600  507.351   65.182 -98.84592 127.5175 
1 1 1  -25   15    4 o  434.865   66.920   0.9170   0.2592   1.5471   0.4723   0.6455   0.3100  555.165   95.927  356.865   93.350 198.3007 133.8519 
1 1 1  -25   15    5 o  604.921   53.274   1.7290   0.2935   2.1392   0.5180   1.5351   0.3562  659.838   87.473  564.242   70.121 95.59589 112.1092 
1 1 1  -25   15    6 o  263.262   91.466   0.3102   0.2711   0.9832   0.4668  -0.0322   0.3330  435.904  114.800  209.919   91.554 225.9847 146.8371 
1 1 1  -25   15    7 o  1086.13   45.767   5.4972   0.4574   7.0770   0.8205   4.7849   0.5510  1218.22   73.542  1007.20   59.714 211.0127 94.73224 
1 1 1  -25   15    8 o  360.786   93.280   0.6516   0.3120   0.9257   0.5626   0.5299   0.3749  424.878  130.938  331.142  107.523 93.73602 169.4282 
1 1 1  -25   15    9 o  647.188   80.559   2.0199   0.4694   1.6939   0.6382   2.4040   0.6927  574.477  124.337  693.049  112.477 -118.5721 167.6627 
1 1 1  -25   15   10 o  500.639   91.149   1.2321   0.4044   0.7567   0.8166   1.3866   0.4655  417.184  156.792  529.019   99.279 -111.8353 185.5798 
1 1 1  -25   15   11 o  668.055   69.118   2.1181   0.4187   3.1679   0.6458   1.3566   0.5500  811.605   87.877  517.727  118.074 293.8775 147.1868 
1 1 1  -25   15   12 o  1254.93   66.335   7.4005   0.7633   8.1764   1.1831   6.8472   0.9990  1302.68   99.448  1195.73   91.490 106.9515 135.1312 
1 1 1  -25   15   13 o  482.943   82.437   1.1312   0.3532   1.5246   0.4962   0.7272   0.5029  556.603  100.580  387.305  124.411 169.2972 159.9826 
1 1 1  -25   15   14 o  781.522   61.844   2.8710   0.4411   3.0950   0.6384   2.6664   0.6102  803.282   87.799  743.786   91.058 59.49597 126.4926 
1 1 1  -25   15   15 o  917.677   58.949   3.9462   0.4951   3.8487   0.6817   4.0551   0.7204  898.114   83.442  921.065   85.992 -22.95135 119.8220 
1 1 1  -25   15   16 o  937.763   88.056   4.2158   0.7509   4.2158   0.7509   0.0000   0.0000  937.763   88.056  ?   ?  0.000000 88.05602 
1 1 1  -25   15   17 o  637.500  108.143   2.0182   0.6117   2.2590   0.6636   0.6580   1.5774  674.072  110.848  482.814  204.701 191.2579 232.7870 
1 1 1  -25   15   18 o  394.457  116.603   0.7837   0.4527   1.4624   0.6299   0.0586   0.6511  531.111  129.957  302.179  129.903 228.9326 183.7486 
1 1 1  -25   15   19 o  586.881   94.698   1.7026   0.4940   1.2003   0.6594   2.3452   0.7458  477.064  140.636  675.845  124.512 -198.7810 187.8343 
1 1 1  -25   15   20 o  256.050  115.127  -0.1731   0.5674  -0.8389   0.8390   0.3878   0.7701  264.512  125.860  356.474  146.413 -91.96201 193.0742 
1 1 1  -25   15   21 o  697.405  112.372   2.4814   0.6966   4.7649   1.8044   2.0815   0.7552  858.218  225.540  624.098  135.393 234.1200 263.0580 
1 1 1  -25   17    1 o  1009.69   37.033   4.7394   0.3441   5.1425   0.5082   4.3983   0.4675  1044.82   53.032  966.182   52.787 78.64301 74.82574 
1 1 1  -25   17    2 o  1124.11   33.269   5.8613   0.3441   5.6959   0.5870   5.9479   0.4248  1097.50   58.334  1130.06   40.850 -32.55420 71.21497 
1 1 1  -25   17    3 o  570.879   48.606   1.5350   0.2529   1.6775   0.4695   1.4768   0.3002  581.373   90.718  556.662   59.526 24.71149 108.5038 
1 1 1  -25   17    4 o  637.136   50.053   1.9105   0.2911   1.7268   0.4972   2.0063   0.3590  588.750   95.020  649.636   60.768 -60.88593 112.7893 
1 1 1  -25   17    5 o  405.606   74.943   0.8066   0.2694   1.4763   0.5023   0.5362   0.3192  539.971  104.878  328.252   98.113 211.7188 143.6154 
1 1 1  -25   17    6 o  322.792   90.570   0.5183   0.2800   0.7522   0.5043   0.4141   0.3366  386.919  124.620  299.048  102.004 87.87112 161.0433 
1 1 1  -25   17    7 o  967.859   50.106   4.3828   0.4447   4.8931   0.8553   4.1937   0.5206  1002.67   93.792  943.183   60.302 59.48395 111.5049 
1 1 1  -25   17    8 o  616.307   71.043   1.8165   0.3955   2.1289   0.7880   1.7113   0.4573  638.315  138.165  592.675   86.391 45.63965 162.9514 
1 1 1  -25   17    9 o  514.661   93.538   1.3070   0.4267   1.8068   0.7799   1.0936   0.5097  585.350  145.446  462.594  119.043 122.7565 187.9511 
1 1 1  -25   17   10 o  705.698   58.750   2.3447   0.3780   3.0710   0.5817   1.8138   0.4974  801.094   79.986  609.762   91.465 191.3325 121.5055 
1 1 1  -25   17   11 o  720.269   58.723   2.4405   0.3858   2.2966   0.5360   2.5952   0.5557  689.826   86.335  734.866   83.679 -45.03992 120.2327 
1 1 1  -25   17   12 o  630.688   89.617   1.9306   0.5055   1.6299   0.6584   2.3622   0.7888  563.844  129.615  681.147  130.599 -117.3037 184.0005 
1 1 1  -25   17   13 o  307.200  104.522   0.4299   0.3534   1.3060   0.5244  -0.2992   0.4784  508.482  114.792  223.199  102.422 285.2837 153.8426 
1 1 1  -25   17   14 o  1825.41   48.032   15.497   0.8068   16.166   1.0806   14.654   1.2128  1857.11   63.233  1761.63   74.817 95.48047 97.95898 
1 1 1  -25   17   15 o  243.246  101.036   0.0950   0.3724   0.3091   0.5274  -0.1178   0.5258  312.083  123.612  254.664  112.896 57.41891 167.4082 
1 1 1  -25   17   16 o  569.857   88.200   1.5870   0.4475   1.9235   0.6481   1.2802   0.6187  615.546  118.733  495.898  132.900 119.6478 178.2129 
1 1 1  -25   17   17 o  543.000   92.260   1.4566   0.4445   1.8069   0.6474   1.1443   0.6114  592.439  122.787  467.523  134.737 124.9151 182.2930 
1 1 1  -25   17   18 o  562.949   96.649   1.5807   0.4826   1.5869   0.6722   1.5742   0.6934  546.570  134.553  542.570  138.428 4.000183 193.0462 
1 1 1  -25   17   19 o  852.164   74.095   3.4944   0.5752   3.6780   0.8051   3.3029   0.8222  856.747  104.271  805.040  114.189 51.70679 154.6340 
1 1 1  -25   17   20 o  261.665  120.557  -0.3469   0.6719   0.3607   1.4252  -0.5491   0.7619  421.729  186.469  265.161  124.243 156.5684 224.0696 
1 1 1  -25   19    1 o  250.755  124.826  -2.3855   1.1384   0.0000   0.0000  -2.3855   1.1384  ?   ?   250.755  124.826 0.000000 124.8257 
1 1 1  -25   19    2 o  241.655   79.169   0.2732   0.2031   0.0000   0.0000   0.2732   0.2031  ?   ?   241.655   79.169 0.000000 79.16938 
1 1 1  -25   19    3 o  619.300   48.756   1.8042   0.2756   1.6962   0.6348   1.8293   0.3059  568.230  124.812  622.093   53.980 -53.86310 135.9850 
1 1 1  -25   19    4 o  197.516   80.885   0.0778   0.2342   0.2382   0.4946   0.0315   0.2658  291.164  118.196  198.758   84.140 92.40620 145.0856 
1 1 1  -25   19    5 o  184.451   79.037   0.0031   0.2396   0.1813   0.4847  -0.0546   0.2757  281.181  115.901  187.495   82.496 93.68517 142.2624 
1 1 1  -25   19    6 o  807.438   50.579   3.0574   0.3739   3.1509   0.6577   3.0127   0.4545  803.557   90.520  797.576   62.426 5.980957 109.9585 
1 1 1  -25   19    7 o  763.127   47.372   2.7243   0.3310   2.6296   0.4685   2.8185   0.4677  742.754   69.356  770.174   66.652 -27.41986 96.19079 
1 1 1  -25   19    8 o  262.150   89.466   0.3096   0.2589   0.5841   0.3987   0.1093   0.3405  345.837  110.752  236.335   97.247 109.5022 147.3869 
1 1 1  -25   19    9 o  915.125   61.606   3.9489   0.5157   3.7982   0.7507   4.0837   0.7097  883.508   93.777  920.926   84.704 -37.41772 126.3681 
1 1 1  -25   19   10 o  819.213   53.398   3.1472   0.4003   3.1746   0.5776   3.1219   0.5553  814.194   78.049  808.343   75.538 5.851440 108.6172 
1 1 1  -25   19   11 o  501.581   77.520   1.2193   0.3462   1.4091   0.5161   1.0639   0.4669  528.369  109.745  457.410  111.861 70.95959 156.7063 
1 1 1  -25   19   12 o  493.694  116.865   1.2459   0.5227   0.7900   0.6190   2.3784   0.9755  403.112  138.316  662.846  161.443 -259.7350 212.5910 
1 1 1  -25   19   13 o  1199.08   52.287   6.7141   0.5769   6.6184   0.7736   6.8340   0.8659  1180.97   71.529  1196.08   79.123 -15.11597 106.6622 
1 1 1  -25   19   14 o  1044.57   55.190   5.1215   0.5286   5.4559   0.7438   4.7802   0.7514  1068.88   76.121  996.892   82.655 71.98303 112.3668 
1 1 1  -25   19   15 o  935.678   59.256   4.1301   0.5075   4.3607   0.7278   3.9117   0.7081  949.913   84.138  897.963   86.784 51.94940 120.8742 
1 1 1  -25   19   16 o  370.853  113.515   0.6975   0.4236   0.3349   0.5795   1.1138   0.6209  320.597  128.707  457.986  136.827 -137.3882 187.8486 
1 1 1  -25   19   17 o  358.822  115.117   0.6499   0.4306   0.2336   0.5786   1.1667   0.6447  304.621  126.192  464.748  139.563 -160.1272 188.1547 
1 1 1  -25   19   18 o  304.782  116.356   0.3785   0.4540   0.4213   0.6236   0.3303   0.6623  335.807  133.964  329.097  135.547 6.709778 190.5760 
1 1 1  -25   19   19 o  373.371  149.777   0.5748   0.7841   0.6042   0.9783   0.5220   1.3110  395.556  163.992  417.595  181.909 -22.03937 244.9162 
1 1 1  -25   21    1 o  327.276  144.255   0.0682   0.8464   0.2610   1.0943  -0.2190   1.3355  375.994  164.923  370.195  170.339 5.798798 237.0967 
1 1 1  -25   21    2 o  407.816   62.893   0.8059   0.2284   1.8065   1.1165   0.7622   0.2334  546.480  185.779  395.227   66.530 151.2534 197.3327 
1 1 1  -25   21    3 o  494.320   58.358   1.1680   0.2603   0.1882   1.2534   1.2122   0.2661  392.747  174.200  503.643   58.516 -110.8958 183.7659 
1 1 1  -25   21    4 o  270.829   90.335   0.3449   0.2639   0.1717   1.2110   0.3535   0.2704  388.882  171.919  273.991   91.443 114.8915 194.7256 
1 1 1  -25   21    5 o  354.257   79.769   0.6250   0.2538   1.1170   0.4553   0.4033   0.3057  465.689  108.297  291.524   97.208 174.1650 145.5255 
1 1 1  -25   21    6 o  702.383   53.014   2.3252   0.3401   2.2625   0.5675   2.3604   0.4249  676.221   93.719  702.991   66.471 -26.77045 114.8985 
1 1 1  -25   21    7 o  256.645   91.132   0.2856   0.2701   0.0690   0.4299   0.4269   0.3472  251.762  106.810  302.630  103.602 -50.86711 148.8011 
1 1 1  -25   21    8 o  493.743   70.310   1.1779   0.3104   1.5580   0.4736   0.8917   0.4110  559.268   95.464  417.482  106.608 141.7857 143.1034 
1 1 1  -25   21    9 o  278.197  108.562   0.2667   0.4015   1.0281   0.6802  -0.1406   0.4975  443.622  144.873  242.673  108.552 200.9487 181.0297 
1 1 1  -25   21   10 o  1462.94   45.485   9.9762   0.6123   9.8001   0.8296   10.187   0.9075  1441.67   62.534  1467.08   67.226 -25.40967 91.81419 
1 1 1  -25   21   11 o  1091.97   74.534   5.7059   0.7444   5.9184   0.9119   5.2813   1.2890  1102.16   90.720  1000.29  144.213 101.8729 170.3743 
1 1 1  -25   21   12 o  350.451  107.962   0.6160   0.3825   0.8538   0.5466   0.3879   0.5354  407.126  129.601  321.703  125.410 85.42380 180.3440 
1 1 1  -25   21   13 o  449.117   98.852   1.0244   0.3974   0.3645   0.5518   1.7361   0.5730  319.792  126.505  582.206  111.008 -262.4143 168.3042 
1 1 1  -25   21   14 o  685.380   71.542   2.2642   0.4445   2.3650   0.6466   2.1738   0.6122  682.938  106.351  654.929  105.139 28.00867 149.5485 
1 1 1  -25   21   15 o  293.918  115.189   0.3171   0.4535  -0.8790   0.7402   1.0361   0.5739  239.158  114.973  439.030  131.633 -199.8726 174.7743 
1 1 1  -25   21   16 o  395.417  116.772   0.8257   0.4542   0.4733   0.6342   1.1970   0.6509  342.686  135.605  464.725  140.380 -122.0385 195.1797 
1 1 1  -25   21   17 o  923.768   68.464   4.1139   0.5778   3.9786   0.8090   4.2546   0.8255  885.288  101.129  917.136   99.411 -31.84747 141.8087 
1 1 1  -25   23    1 o  972.818  183.077   5.9056   1.5787   5.9056   1.5787   0.0000   0.0000  972.818  183.077  ?   ?  0.000000 183.0774 
1 1 1  -25   23    2 o  1343.48   51.416   8.5186   0.6356   7.2219   1.7445   8.7171   0.6825  1089.51  180.317  1356.81   54.668 -267.3055 188.4219 
1 1 1  -25   23    3 o  345.133   65.985   0.5870   0.2019   0.3851   0.3423   0.6948   0.2501  288.267  102.563  372.984   75.450 -84.71762 127.3257 
1 1 1  -25   23    4 o  840.475   43.444   3.3127   0.3348   3.1180   0.5729   3.4136   0.4127  798.203   79.042  849.315   53.068 -51.11237 95.20376 
1 1 1  -25   23    5 o  824.562   47.309   3.1976   0.3575   4.7397   0.6469   2.5199   0.4289  991.433   71.390  724.542   65.018 266.8915 96.56049 
1 1 1  -25   23    6 o  543.251   69.211   1.4313   0.3381   1.3635   0.5532   1.4718   0.4272  506.017  120.531  542.533   88.633 -36.51675 149.6114 
1 1 1  -25   23    7 o  264.538   97.187   0.2961   0.3104   0.4290   0.5162   0.2208   0.3886  321.955  123.791  264.452  105.667 57.50348 162.7565 
1 1 1  -25   23    8 o  540.165   76.209   1.4286   0.3683   1.3929   0.5968   1.4505   0.4680  508.538  127.718  534.047   98.873 -25.50900 161.5173 
1 1 1  -25   23    9 o  367.065  127.005   0.6762   0.5224   3.6016   1.5115   0.2793   0.5567  742.096  211.228  305.225  124.824 436.8714 245.3532 
1 1 1  -25   23   10 o  1095.63   68.501   5.7554   0.6871   5.4258   0.8915   6.2379   1.0785  1045.64   93.648  1109.71  106.945 -64.06909 142.1525 
1 1 1  -25   23   11 o  1200.40   68.576   6.9123   0.7543   8.3875   1.0530   5.3574   1.0811  1305.64   88.167  1016.87  117.714 288.7692 147.0710 
1 1 1  -25   23   12 o  206.468   92.449  -0.1056   0.3618  -0.4095   0.5450   0.1338   0.4837  225.430  105.453  269.682  113.794 -44.25256 155.1430 
1 1 1  -25   23   13 o  344.165  107.754   0.6106   0.3793   1.1255   0.5687   0.1982   0.5090  452.574  129.819  282.864  117.864 169.7106 175.3421 
1 1 1  -25   23   14 o  836.806   67.592   3.3849   0.5160   3.7172   0.7475   3.0822   0.7133  856.631   96.507  774.850  102.559 81.78131 140.8259 
1 1 1  -25   23   15 o  284.600  109.064   0.3370   0.3998   0.3844   0.5931   0.2975   0.5413  319.896  129.582  300.185  122.961 19.71054 178.6363 
1 1 1  -25   23   16 o  271.433  128.927  -0.6634   0.8730  -0.5423   1.0336  -0.9647   1.6305  303.516  142.998  352.910  169.907 -49.39420 222.0736 
1 1 1  -25   25    1 o  552.625  190.287   2.3077   1.1720   2.3829   1.5508   2.2076   1.7898  523.927  210.478  498.009  214.738 25.91833 300.6877 
1 1 1  -25   25    2 o  1262.23   34.979   7.4468   0.4063   7.0353   0.6522   7.7077   0.5193  1209.86   58.587  1278.22   44.154 -68.35828 73.36166 
1 1 1  -25   25    3 o  251.953   85.992   0.3054   0.2392   0.0225   0.3963   0.4676   0.3001  229.367   99.960  301.114   96.038 -71.74648 138.6194 
1 1 1  -25   25    4 o  259.148   87.764   0.3250   0.2492   0.9333   0.4672   0.0832   0.2946  410.756  117.608  212.999   89.278 197.7570 147.6558 
1 1 1  -25   25    5 o  348.369   87.694   0.6289   0.2809   0.3079   0.4975   0.7791   0.3404  292.719  118.645  384.686   96.357 -91.96729 152.8441 
1 1 1  -25   25    6 o  215.264   88.069   0.1167   0.2773  -0.1475   0.5057   0.2302   0.3315  237.005  107.429  250.698   98.415 -13.69261 145.6932 
1 1 1  -25   25    7 o  261.528   96.464   0.3005   0.3063   0.9903   0.5777   0.0309   0.3612  419.347  133.210  223.223   96.359 196.1249 164.4081 
1 1 1  -25   25    8 o  594.410   74.491   1.7451   0.3985   1.9532   0.6968   1.6440   0.4858  590.106  131.673  563.818   97.135 26.28760 163.6245 
1 1 1  -25   25    9 o  738.382   85.568   2.7363   0.5706   2.8667   1.8250   2.7222   0.6007  586.357  230.668  732.529   91.088 -146.1724 248.0016 
1 1 1  -25   25   10 o  769.618   68.620   2.8872   0.4809   2.7318   0.7767   2.9838   0.6123  706.680  123.961  768.956   88.129 -62.27594 152.0953 
1 1 1  -25   25   11 o  335.988  126.277   0.5534   0.5297   0.0201   0.6522   1.5873   0.9080  282.764  125.526  499.273  167.550 -216.5091 209.3559 
1 1 1  -25   25   12 o  851.454   71.751   3.5596   0.5569   2.7856   0.8714   4.0940   0.7241  693.670  141.325  899.074   88.678 -205.4042 166.8431 
1 1 1  -25   25   13 o  227.110  100.449  -0.0281   0.4139  -0.2480   0.6580   0.1159   0.5324  257.963  119.010  270.547  116.887 -12.58450 166.8117 
1 1 1  -25   25   14 o  570.129  239.745   3.2398   2.1353   0.0000   0.0000   3.2398   2.1353  ?   ?   570.129  239.745 0.000000 239.7446 
1 1 1  -25   27    1 o  259.452   83.273   0.3548   0.2253   0.3627   0.3172   0.3467   0.3201  266.783   98.208  263.454   98.332 3.329041 138.9748 
1 1 1  -25   27    2 o  349.954   84.000   0.6568   0.2671   0.7918   0.3989   0.5472   0.3595  369.055  109.542  313.054  105.424 56.00104 152.0319 
1 1 1  -25   27    3 o  312.468   93.860   0.5323   0.2916   0.6510   0.4659   0.4558   0.3738  337.046  119.687  294.482  106.883 42.56384 160.4652 
1 1 1  -25   27    4 o  876.205   50.179   3.6891   0.4029   2.9654   0.6612   4.1165   0.5081  741.334   99.441  916.953   60.559 -175.6198 116.4302 
1 1 1  -25   27    5 o  569.773   68.355   1.6217   0.3512   1.7364   0.5941   1.5601   0.4355  547.045  121.213  543.655   90.213 3.390442 151.0987 
1 1 1  -25   27    6 o  190.076   84.904  -0.0559   0.3032   0.4374   0.5709  -0.2497   0.3578  311.354  126.758  183.102   85.587 128.2524 152.9464 
1 1 1  -25   27    7 o  323.586  102.381   0.5699   0.3415   0.4700   0.5969   0.6184   0.4165  318.938  129.701  334.490  113.464 -15.55249 172.3262 
1 1 1  -25   27    8 o  268.102  112.098   0.2276   0.4627   1.2337   1.7179   0.1489   0.4804  427.472  195.392  260.168  111.708 167.3042 225.0703 
1 1 1  -25   27    9 o  816.468   66.880   3.2912   0.4981   3.4299   0.8649   3.2223   0.6092  772.348  126.048  791.804   84.939 -19.45630 151.9959 
1 1 1  -25   27   10 o  830.214   71.379   3.4339   0.5400   3.1767   0.9248   3.5670   0.6652  720.578  144.503  829.782   88.479 -109.2047 169.4391 
1 1 1  -25   27   11 o  359.781  143.958   0.7085   0.7223   0.7085   0.7223   0.0000   0.0000  359.781  143.958  ?   ?  0.000000 143.9581 
1 1 1  -25   27   12 o  470.651  211.367   2.0273   1.9060   2.0273   1.9060   0.0000   0.0000  470.651  211.367  ?   ?  0.000000 211.3665 
1 1 1  -25   29    1 o  277.186  123.291   0.3097   0.6321   0.0000   0.0000   0.3097   0.6321  ?   ?   277.186  123.291 0.000000 123.2907 
1 1 1  -25   29    2 o  245.776  118.767  -0.4433   0.8146   0.0000   0.0000  -0.4433   0.8146  ?   ?   245.776  118.767 0.000000 118.7667 
1 1 1  -25   29    3 o  142.192   69.638  -0.4887   0.3070  -0.3600   0.4250  -0.6290   0.4439  185.355   88.575  171.053   83.766 14.30196 121.9110 
1 1 1  -25   29    4 o  216.320   95.368   0.0496   0.3701   0.1740   0.5079  -0.0913   0.5405  255.984  112.320  233.521  107.779 22.46278 155.6665 
1 1 1  -25   29    5 o  203.380   97.053  -0.3897   0.5065  -0.4085   0.5335  -0.2182   1.6125  207.665   99.239  324.684  159.138 -117.0195 187.5456 
1 1 1  -25   29    6 o  342.520  161.095   0.4669   1.3015  -0.4646   1.7931   1.5041   1.8921  328.774  162.425  395.624  188.454 -66.84967 248.7910 
1 1 1  -25   29    7 o  385.150  175.106   1.1394   1.3565   2.0574   1.9148   0.2145   1.9220  423.236  197.882  356.062  174.353 67.17419 263.7354 
1 1 1  -24    0    1 o  294.108  147.107   0.6419   0.4862   0.6419   0.4862   0.6419   0.4862  294.108  147.107  294.108  147.107 0.000000 0.000000 
1 1 1  -24    0    2 o  302.005  141.242   0.6593   0.4384   0.6593   0.4384   0.6593   0.4384  302.005  141.242  302.005  141.242 0.000000 0.000000 
1 1 1  -24    0    3 o  678.547   93.916   2.3093   0.5543   2.3093   0.5543   2.3093   0.5543  678.547   93.916  678.547   93.916 0.000000 0.000000 
1 1 1  -24    0    4 o  557.864  114.525   1.6637   0.5195   1.6637   0.5195   1.6637   0.5195  557.864  114.525  557.864  114.525 0.000000 0.000000 
1 1 1  -24    0    5 o  161.143  107.729  -0.1137   0.4404  -0.1137   0.4404  -0.1137   0.4404  161.143  107.729  161.143  107.729 0.000000 0.000000 
1 1 1  -24    0    6 o  874.105   80.534   3.7017   0.6351   3.7017   0.6351   3.7017   0.6351  874.105   80.534  874.105   80.534 0.000000 0.000000 
1 1 1  -24    0    7 o  330.405  173.862   0.8472   0.7016   0.8472   0.7016   0.8472   0.7016  330.405  173.862  330.405  173.862 -0.000000 0.000000 
1 1 1  -24    0    8 o  320.198  175.209   0.7944   0.7380   0.7944   0.7380   0.7944   0.7380  320.198  175.209  320.198  175.209 0.000000 0.000000 
1 1 1  -24    0    9 o  2070.99   67.712   20.222   1.2872   20.222   1.2872   20.222   1.2872  2070.99   67.712  2070.99   67.712 -0.000000 0.000000 
1 1 1  -24    0   10 f  368.586  164.408   0.9926   0.5919   0.9926   0.5919   0.9926   0.5919  368.586  164.408  368.586  164.408 0.000000 0.000000 
1 1 1  -24    0   11 o  1270.99   77.184   7.7208   0.8951   7.7208   0.8951   7.7208   0.8951  1270.99   77.184  1270.99   77.184 -0.000000 0.000000 
1 1 1  -24    0   12 o  608.100  188.766   2.3463   0.9252   2.3463   0.9252   2.3463   0.9252  608.100  188.766  608.100  188.766 0.000000 0.000000 
1 1 1  -24    0   13 o  493.107  207.530   1.8073   0.9485   1.8073   0.9485   1.8073   0.9485  493.107  207.530  493.107  207.530 -0.000000 0.000000 
1 1 1  -24    0   14 o  984.896   95.187   4.7611   0.8441   4.7611   0.8441   4.7611   0.8441  984.896   95.187  984.896   95.187 -0.000000 0.000000 
1 1 1  -24    0   15 o  1353.13   82.384   8.7569   1.0171   8.7569   1.0171   8.7569   1.0171  1353.13   82.384  1353.13   82.384 -0.000000 0.000000 
1 1 1  -24    0   16 o  961.379  104.125   4.5704   0.8937   4.5704   0.8937   4.5704   0.8937  961.379  104.125  961.379  104.125 -0.000000 0.000000 
1 1 1  -24    0   17 f  316.101  174.061   0.7409   0.7336   0.7409   0.7336   0.7409   0.7336  316.101  174.061  316.101  174.061 -0.000000 0.000000 
1 1 1  -24    0   18 o  294.070  165.924   0.6172   0.6864   0.6172   0.6864   0.6172   0.6864  294.070  165.924  294.070  165.924 0.000000 0.000000 
1 1 1  -24    0   19 o  347.737  169.971   0.9054   0.6430   0.9054   0.6430   0.9054   0.6430  347.737  169.971  347.737  169.971 -0.000000 0.000000 
1 1 1  -24    0   20 o  199.521  128.415   0.0689   0.5420   0.0689   0.5420   0.0689   0.5420  199.521  128.415  199.521  128.415 -0.000000 0.000000 
1 1 1  -24    0   21 o  194.835  128.290  -0.0247   0.5863  -0.0247   0.5863  -0.0247   0.5863  194.835  128.290  194.835  128.290 0.000000 0.000000 
1 1 1  -24    0   22 o  786.304  232.761   4.2125   1.4647   4.2125   1.4647   4.2125   1.4647  786.304  232.761  786.304  232.761 0.000000 0.000000 
1 1 1  -24    0   23 o  330.647  173.756   0.9276   0.7000   0.9276   0.7000   0.9276   0.7000  330.647  173.756  330.647  173.756 0.000000 0.000000 
1 1 1  -24    0   24 o  198.491  133.535  -0.0678   0.6962  -0.0678   0.6962  -0.0678   0.6962  198.491  133.535  198.491  133.535 0.000000 0.000000 
1 1 1  -24    2    1 o  734.719   89.143   2.6658   0.5903   2.9234   0.8279   2.3992   0.8420  747.018  124.843  663.421  142.202 83.59631 189.2281 
1 1 1  -24    2    2 o  835.348   64.930   3.3265   0.4952   3.2264   0.5840   3.5825   0.9339  816.002   78.758  829.558  126.338 -13.55554 148.8766 
1 1 1  -24    2    3 o  611.663   95.169   1.8630   0.5182   1.8630   0.5182   0.0000   0.0000  611.663   95.169  ?   ?  0.000000 95.16856 
1 1 1  -24    2    4 o  855.594   76.517   3.5226   0.5960   3.5226   0.5960   0.0000   0.0000  855.594   76.517  ?   ?  0.000000 76.51686 
1 1 1  -24    2    5 o  369.126  105.181   0.6905   0.3746   0.6799   0.4659   0.7097   0.6300  369.221  119.864  386.316  138.956 -17.09494 183.5111 
1 1 1  -24    2    6 o  1190.85   55.485   6.6494   0.6080   6.1195   0.7374   7.7743   1.0744  1133.62   71.053  1263.45   93.069 -129.8253 117.0916 
1 1 1  -24    2    7 o  721.636   72.088   2.4934   0.4723   2.0652   0.5789   3.3454   0.8165  644.040  101.013  816.633  111.583 -172.5933 150.5137 
1 1 1  -24    2    8 o  926.179   82.378   4.1333   0.6947   4.4552   1.0262   3.8610   0.9440  937.994  121.764  873.099  120.726 64.89532 171.4680 
1 1 1  -24    2    9 o  1358.47   59.630   8.6641   0.7454   7.7899   1.2320   9.1689   0.9362  1256.40  107.602  1388.52   73.535 -132.1217 130.3284 
1 1 1  -24    2   10 o  1165.71   54.847   6.3557   0.5883   5.3411   0.7936   7.5933   0.8765  1055.03   82.405  1262.79   75.785 -207.7620 111.9550 
1 1 1  -24    2   11 o  540.496   86.734   1.4277   0.4168   1.0475   0.5619   1.8927   0.6214  450.953  128.941  612.460  114.469 -161.5079 172.4204 
1 1 1  -24    2   12 o  409.073  106.755   0.8431   0.4061   1.2581   0.5597   0.3817   0.5901  495.235  123.301  333.771  131.214 161.4641 180.0563 
1 1 1  -24    2   13 o  553.529   89.635   1.4954   0.4409   1.3995   0.6053   1.6039   0.6436  522.396  127.136  559.525  127.801 -37.12866 180.2679 
1 1 1  -24    2   14 f  1438.06   56.117   9.6453   0.7426   9.2040   1.0333   10.117   1.0678  1392.46   80.999  1460.74   79.745 -68.28113 113.6667 
1 1 1  -24    2   15 o  483.216  109.944   1.1662   0.4778   2.0480   0.7458   0.5521   0.6224  635.791  131.805  368.308  137.181 267.4835 190.2399 
1 1 1  -24    2   16 o  723.265   82.376   2.4925   0.5385   2.4627   0.7791   2.5198   0.7450  703.979  124.845  715.241  117.265 -11.26166 171.2816 
1 1 1  -24    2   17 o  1096.47   63.562   5.6187   0.6386   6.2970   1.3671   5.4294   0.7222  1132.39  133.786  1074.99   73.447 57.40381 152.6208 
1 1 1  -24    2   18 o  827.229   87.906   3.2540   0.6589   0.0000   0.0000   3.2540   0.6589  ?   ?   827.229   87.906 0.000000 87.90567 
1 1 1  -24    2   19 o  654.001   98.016   2.0653   0.5717   2.2963   0.8927   1.9048   0.7444  672.896  148.176  615.869  135.066 57.02728 200.4970 
1 1 1  -24    2   20 o  442.515  101.440   0.9659   0.4042   1.1463   0.6011   0.8169   0.5462  478.089  132.204  410.832  129.413 67.25623 185.0018 
1 1 1  -24    2   21 o  945.319   77.457   4.2267   0.6678   3.4835   0.9707   4.8946   0.9202  836.766  130.316  1008.75  100.479 -171.9811 164.5546 
1 1 1  -24    2   22 o  669.718  105.329   2.2033   0.6277   2.9450   0.9170   1.5495   0.8609  762.285  135.709  544.210  160.777 218.0750 210.3952 
1 1 1  -24    2   23 o  276.678  113.912   0.1584   0.4676   0.6743   0.6723  -0.3249   0.6507  390.069  143.065  264.394  120.618 125.6754 187.1266 
1 1 1  -24    2   24 o  390.400  125.861   0.7591   0.5143   0.4644   0.7480   1.0234   0.7083  366.855  146.599  447.277  147.923 -80.42200 208.2608 
1 1 1  -24    4    1 o  882.280   59.948   3.6984   0.4838   3.7016   0.6268   3.6936   0.7610  872.743   78.900  859.767   97.937 12.97540 125.7656 
1 1 1  -24    4    2 o  666.706   69.379   2.1387   0.4194   2.1832   0.5293   2.0636   0.6874  664.778   88.747  626.902  123.562 37.87573 152.1304 
1 1 1  -24    4    3 o  1018.91   56.376   4.8982   0.5265   5.1894   0.6747   4.4447   0.8419  1041.47   70.826  947.042   98.035 94.42969 120.9426 
1 1 1  -24    4    4 o  899.600   53.065   3.8072   0.4373   3.1039   0.6144   4.5293   0.6226  798.133   84.967  973.829   69.943 -175.6956 110.0520 
1 1 1  -24    4    5 o  922.667   62.880   4.0356   0.5307   3.3477   0.6182   5.9613   1.0344  831.409   81.874  1096.27  103.778 -264.8600 132.1864 
1 1 1  -24    4    6 o  386.401  107.433   0.7610   0.3958   0.7617   0.4685   0.7593   0.7398  386.962  119.529  403.262  149.690 -16.30045 191.5577 
1 1 1  -24    4    7 o  887.136   57.289   3.7090   0.4652   4.0187   0.6761   3.4306   0.6410  912.878   81.337  841.711   83.880 71.16693 116.8395 
1 1 1  -24    4    8 o  553.256   80.701   1.4900   0.3987   1.8937   0.5893   1.1492   0.5415  612.909  108.459  470.017  123.577 142.8920 164.4225 
1 1 1  -24    4    9 o  1730.65   56.502   14.035   0.8998   14.371   1.5677   13.870   1.0988  1716.20   99.700  1712.33   69.738 3.869507 121.6692 
1 1 1  -24    4   10 o  802.306   76.436   3.0823   0.5575   3.3003   0.9887   2.9807   0.6750  796.481  140.020  780.218   96.046 16.26312 169.7954 
1 1 1  -24    4   11 o  527.274   89.988   1.3660   0.4209   2.0229   0.5995   0.7272   0.5912  637.446  105.920  390.085  135.098 247.3612 171.6696 
1 1 1  -24    4   12 o  197.938   90.660  -0.2308   0.3724  -0.1876   0.5150  -0.2782   0.5392  244.100  109.725  241.208  109.948 2.892288 155.3322 
1 1 1  -24    4   13 f  658.893   78.625   2.0817   0.4673   2.6426   0.6801   1.5800   0.6431  733.478  103.651  554.986  128.477 178.4924 165.0754 
1 1 1  -24    4   14 o  387.719  114.141   0.7464   0.4346   0.7559   0.6314   0.7377   0.5991  401.844  139.593  395.870  136.059 5.973511 194.9309 
1 1 1  -24    4   15 o  957.885   56.655   4.2884   0.4971   4.1186   0.7987   4.3958   0.6352  925.679   95.123  965.266   72.032 -39.58734 119.3192 
1 1 1  -24    4   16 f  1396.15   50.931   9.0475   0.6543   10.716   1.0922   8.1134   0.8172  1508.26   78.973  1316.04   67.708 192.2191 104.0249 
1 1 1  -24    4   17 o  1633.18   51.258   12.372   0.7703   11.703   1.2338   12.799   0.9861  1574.93   85.459  1657.19   64.667 -82.27014 107.1681 
1 1 1  -24    4   18 o  455.595  115.965   1.0307   0.4874   2.3177   1.0372   0.6660   0.5522  669.291  168.518  382.689  130.645 286.6013 213.2286 
1 1 1  -24    4   19 o  1763.32   52.328   14.427   0.8490   15.799   1.3848   13.600   1.0748  1834.07   82.053  1706.96   68.427 127.1173 106.8405 
1 1 1  -24    4   20 o  802.248   82.951   3.0587   0.6035   2.3966   0.8570   3.7101   0.8500  689.001  139.945  875.434  107.800 -186.4326 176.6504 
1 1 1  -24    4   21 o  752.665   92.071   2.7249   0.6244   2.0056   0.9210   3.3367   0.8493  619.615  160.314  824.660  115.063 -205.0456 197.3322 
1 1 1  -24    4   22 o  490.019  132.603   1.2297   0.6125   1.3110   0.8614   1.1466   0.8710  504.895  162.897  480.007  164.082 24.88818 231.2107 
1 1 1  -24    4   23 o  651.560   96.567   2.0828   0.5614   3.0623   0.9655   1.5825   0.6901  768.628  141.740  550.774  136.786 217.8547 196.9788 
1 1 1  -24    4   24 o  766.710   84.689   2.8441   0.5875   2.3960   0.8232   3.3093   0.8387  677.263  136.809  811.679  115.558 -134.4162 179.0822 
1 1 1  -24    6    1 o  767.549   56.732   2.7957   0.3978   2.7088   0.5600   2.8844   0.5653  742.615   83.395  767.733   81.256 -25.11798 116.4357 
1 1 1  -24    6    2 o  192.009   84.508  -0.0502   0.2895  -0.4619   0.4140   0.3437   0.4049  186.088   88.504  290.992  110.173 -104.9039 141.3192 
1 1 1  -24    6    3 o  169.423   78.556  -0.2233   0.2920  -0.7793   0.4001   0.4107   0.4272  159.014   78.205  308.045  113.872 -149.0303 138.1402 
1 1 1  -24    6    4 o  286.581   98.184   0.3814   0.3119   0.5156   0.4659   0.2725   0.4198  333.931  119.564  281.552  110.675 52.37909 162.9249 
1 1 1  -24    6    5 o  403.585   96.358   0.8260   0.3529   0.7678   0.5003   0.8835   0.4978  387.895  124.042  412.272  122.373 -24.37686 174.2458 
1 1 1  -24    6    6 o  868.449   58.189   3.5623   0.4623   3.0132   0.6403   4.1603   0.6682  784.075   90.402  929.076   78.910 -145.0017 119.9976 
1 1 1  -24    6    7 o  1027.33   64.891   5.0042   0.6103   4.8187   0.7156   5.4992   1.1687  1001.32   78.287  1037.68  124.906 -36.36212 147.4119 
1 1 1  -24    6    8 o  430.203   96.751   0.9320   0.3737   0.2485   0.4962   1.8278   0.5680  294.147  118.744  602.568  106.337 -308.4203 159.3982 
1 1 1  -24    6    9 o  1201.04   52.821   6.7455   0.5838   6.2338   0.7888   7.3653   0.8680  1142.82   75.430  1242.07   76.318 -99.24133 107.3042 
1 1 1  -24    6   10 o  200.370   91.585  -0.2189   0.3774  -0.4759   0.6117  -0.0609   0.4796  241.111  112.432  248.478  109.081 -7.366913 156.6509 
1 1 1  -24    6   11 o  562.750   85.941   1.5443   0.4309   1.3620   0.6085   1.7277   0.6103  512.344  129.125  582.905  117.829 -70.56049 174.8059 
1 1 1  -24    6   12 o  348.323  109.197   0.5925   0.3894   1.0992   0.5666   0.1391   0.5359  462.329  128.544  288.727  120.678 173.6019 176.3149 
1 1 1  -24    6   13 o  624.909   70.522   1.8600   0.3984   2.1630   0.6478   1.6757   0.5053  659.547  110.667  583.820   97.493 75.72601 147.4857 
1 1 1  -24    6   14 o  894.478   58.032   3.7490   0.4751   3.5953   0.7561   3.8493   0.6106  862.053   97.010  901.273   74.291 -39.22003 122.1882 
1 1 1  -24    6   15 o  848.723   62.294   3.3802   0.4831   3.0680   0.7484   3.6033   0.6325  794.132  104.990  871.104   79.800 -76.97229 131.8743 
1 1 1  -24    6   16 o  894.687   62.251   3.7480   0.5093   4.3260   0.8660   3.4424   0.6297  948.873  100.726  851.974   81.310 96.89905 129.4496 
1 1 1  -24    6   17 o  1307.41   60.767   7.9553   0.7310   8.6279   1.5166   7.7518   0.8344  1332.06  125.200  1286.10   70.778 45.95618 143.8215 
1 1 1  -24    6   18 o  1149.57   60.488   6.1656   0.6376   6.7050   1.0563   5.8565   0.7997  1186.10   97.650  1115.03   78.443 71.07532 125.2550 
1 1 1  -24    6   19 o  1449.05   54.678   9.7540   0.7291   9.8260   1.1973   9.7116   0.9191  1439.69   90.842  1441.72   69.282 -2.033691 114.2464 
1 1 1  -24    6   20 o  417.913  131.685   0.8523   0.5655   1.5348   0.7423  -0.0913   0.8728  547.714  145.008  335.340  147.187 212.3740 206.6187 
1 1 1  -24    6   21 o  242.468  107.809  -0.1391   0.4829  -0.2380   0.7867  -0.0794   0.6117  303.875  136.179  281.352  123.361 22.52280 183.7462 
1 1 1  -24    6   22 o  721.001  102.509   2.5495   0.6609   2.1962   0.8392   3.1266   1.0726  649.765  144.132  771.429  156.452 -121.6644 212.7239 
1 1 1  -24    6   23 f  991.306   73.225   4.6743   0.6632   6.4360   0.9846   3.2111   0.8973  1152.65   93.641  794.369  127.038 358.2778 157.8207 
1 1 1  -24    6   24 o  382.176  130.870   0.7104   0.5541   0.5593   0.6740   1.0256   0.9732  368.997  141.556  459.006  171.425 -90.00934 222.3166 
1 1 1  -24    8    1 o  206.480   86.539   0.0614   0.2767   0.0225   0.3826   0.1040   0.4007  230.400   99.315  247.303  103.920 -16.90309 143.7451 
1 1 1  -24    8    2 o  826.110   52.949   3.2231   0.4004   3.2479   0.5761   3.1999   0.5568  817.484   77.512  812.574   75.329 4.910400 108.0858 
1 1 1  -24    8    3 o  1247.69   45.444   7.2765   0.5217   7.6996   0.7530   6.8857   0.7236  1271.88   64.549  1201.90   65.676 69.97925 92.08666 
1 1 1  -24    8    4 o  641.763   64.404   1.9705   0.3752   1.6708   0.5279   2.2765   0.5334  573.222  103.905  679.961   87.261 -106.7391 135.6867 
1 1 1  -24    8    5 o  1614.77   44.389   12.164   0.6596   11.584   0.9287   12.755   0.9369  1563.84   64.535  1642.77   61.980 -78.92505 89.47791 
1 1 1  -24    8    6 o  499.277   82.211   1.2263   0.3645   1.4666   0.5465   1.0337   0.4893  532.705  114.873  445.380  117.641 87.32510 164.4237 
1 1 1  -24    8    7 o  448.477   89.486   1.0034   0.3563   0.8647   0.5008   1.1455   0.5071  409.202  123.029  469.584  117.621 -60.38229 170.2081 
1 1 1  -24    8    8 o  243.693  101.535   0.0992   0.3777   0.2042   0.4412  -0.1891   0.7309  275.739  111.736  290.685  130.689 -14.94604 171.9440 
1 1 1  -24    8    9 o  782.268   63.043   2.8992   0.4499   2.9287   0.6325   2.8690   0.6402  774.758   90.426  765.615   92.763 9.143188 129.5441 
1 1 1  -24    8   10 o  560.429   84.976   1.5333   0.4245   1.5340   0.5871   1.5324   0.6145  546.483  120.027  543.997  125.332 2.485840 173.5352 
1 1 1  -24    8   11 o  701.615   86.095   2.3850   0.5442   3.0234   0.9755   2.0966   0.6557  760.051  144.767  644.990  114.677 115.0610 184.6841 
1 1 1  -24    8   12 f  866.344   56.743   3.5231   0.4498   2.8499   0.6977   4.0022   0.5885  761.722  102.106  918.934   70.131 -157.2122 123.8712 
1 1 1  -24    8   13 o  1019.66   54.290   4.8618   0.5075   4.8525   0.8034   4.8680   0.6547  1005.85   87.679  1014.72   70.562 -8.864624 112.5458 
1 1 1  -24    8   14 o  1127.93   53.877   5.9239   0.5592   5.2262   0.8520   6.4518   0.7411  1045.12   89.455  1170.71   69.106 -125.5897 113.0392 
1 1 1  -24    8   15 o  602.049   79.240   1.7333   0.4283   3.5731   0.7954   0.9819   0.5083  859.384  102.615  442.755  121.218 416.6294 158.8194 
1 1 1  -24    8   16 o  1295.78   69.841   7.8728   0.8297   0.0000   0.0000   7.8728   0.8297  ?   ?   1295.78   69.841 0.000000 69.84145 
1 1 1  -24    8   17 o  319.317  113.971   0.4288   0.4230   0.5514   0.8468   0.3880   0.4883  401.559  157.391  322.260  121.216 79.29871 198.6586 
1 1 1  -24    8   18 o  865.290   68.936   3.5193   0.5443   2.6688   0.8244   4.1768   0.7248  733.732  126.681  938.256   84.868 -204.5242 152.4811 
1 1 1  -24    8   19 o  508.480  104.021   1.2749   0.4703   0.3694   0.5907   2.8430   0.7773  336.401  131.561  761.768  114.430 -425.3675 174.3626 
1 1 1  -24    8   20 o  633.283  117.554   1.9952   0.6598   1.4482   0.8322   2.9209   1.0826  529.932  158.430  748.399  161.912 -218.4662 226.5292 
1 1 1  -24    8   21 o  913.684   68.455   3.9399   0.5713   3.4317   0.7698   4.5634   0.8526  839.620  101.709  972.122   96.590 -132.5022 140.2656 
1 1 1  -24    8   22 o  654.964  113.422   2.1505   0.6588   1.7197   0.8869   2.6809   0.9841  565.217  162.106  710.485  154.894 -145.2682 224.2104 
1 1 1  -24    8   23 o  1013.84   69.896   4.8834   0.6481   5.4007   0.9453   4.4247   0.8902  1050.27   98.980  947.020  103.863 103.2531 143.4730 
1 1 1  -24   10    1 o  661.779   69.219   2.1179   0.4153   1.9977   0.4571   2.6861   0.9939  637.618   79.641  681.399  161.066 -43.78027 179.6803 
1 1 1  -24   10    2 o  342.685  107.992   0.5969   0.3803   0.5894   0.4279   0.6249   0.8296  343.278  115.017  384.801  154.171 -41.52350 192.3475 
1 1 1  -24   10    3 o  1126.50   47.854   5.9444   0.4960   7.0494   0.7194   4.9428   0.6849  1216.39   64.502  1012.39   74.035 203.9998 98.19221 
1 1 1  -24   10    4 o  1242.78   46.217   7.2212   0.5285   6.6804   0.7394   7.7861   0.7558  1182.51   68.244  1279.44   64.400 -96.93555 93.83277 
1 1 1  -24   10    5 o  984.684   51.440   4.5583   0.4645   4.6626   0.6629   4.4578   0.6510  985.027   73.666  962.839   74.046 22.18781 104.4487 
1 1 1  -24   10    6 o  516.282   77.354   1.3015   0.3562   1.5083   0.5138   1.1103   0.4941  543.924  106.478  461.479  116.381 82.44498 157.7410 
1 1 1  -24   10    7 o  691.639   65.889   2.2828   0.4143   2.7389   0.6111   1.8952   0.5635  746.819   90.802  613.695  103.461 133.1244 137.6559 
1 1 1  -24   10    8 o  680.507   84.732   2.2561   0.5191   2.3222   0.6168   2.0957   0.9610  682.773  101.244  611.948  166.313 70.82507 194.7057 
1 1 1  -24   10    9 o  594.593   64.128   1.6845   0.3453   1.1889   0.5334   2.0420   0.4530  478.825  121.011  650.609   77.180 -171.7841 143.5284 
1 1 1  -24   10   10 o  431.321   88.269   0.9228   0.3385   0.5938   0.5279   1.1526   0.4412  358.886  127.401  478.109  103.301 -119.2231 164.0188 
1 1 1  -24   10   11 o  759.183   81.043   2.7722   0.5574   2.1082   0.9110   3.1695   0.7047  625.021  158.249  805.060   97.086 -180.0391 185.6566 
1 1 1  -24   10   12 o  758.637   62.027   2.7151   0.4292   3.2924   0.7005   2.3682   0.5431  823.457   94.143  700.057   86.124 123.4001 127.5945 
1 1 1  -24   10   13 o  481.320   89.298   1.1356   0.3809   1.0115   0.6239   1.2093   0.4810  447.251  137.901  490.956  109.283 -43.70514 175.9534 
1 1 1  -24   10   14 o  461.467   94.807   1.0488   0.3891   1.6113   0.6592   0.7480   0.4820  562.993  129.894  390.851  121.330 172.1422 177.7454 
1 1 1  -24   10   15 o  720.359   78.496   2.4671   0.5119   3.3952   1.1006   2.2109   0.5782  815.336  152.294  676.186   95.599 139.1503 179.8131 
1 1 1  -24   10   16 o  545.131   86.164   1.4332   0.4178   2.0163   0.6821   1.0830   0.5287  637.161  120.759  465.021  122.018 172.1405 171.6714 
1 1 1  -24   10   17 o  1249.32   50.982   7.2444   0.5861   7.7529   0.8455   6.7742   0.8131  1285.00   71.794  1200.14   73.991 84.85852 103.0978 
1 1 1  -24   10   18 f  360.861  108.035   0.6331   0.3868   0.9939   0.5507   0.2820   0.5433  445.976  127.697  314.239  125.145 131.7366 178.7957 
1 1 1  -24   10   19 o  954.051   65.392   4.2749   0.5706   4.2281   0.7370   4.3449   0.9015  941.876   85.986  946.935  105.245 -5.058716 135.9050 
1 1 1  -24   10   20 o  290.273  121.027   0.1368   0.5372  -0.1745   0.7643   0.4406   0.7551  304.137  135.407  369.794  147.450 -65.65753 200.1911 
1 1 1  -24   10   21 f  967.859   69.310   4.4321   0.6132   3.9750   0.8400   4.9536   0.8972  901.392  103.124  1010.21   97.742 -108.8210 142.0851 
1 1 1  -24   10   22 o  595.104   94.488   1.7468   0.5001   1.2658   0.6955   2.2619   0.7197  489.331  144.486  665.530  122.022 -176.1989 189.1173 
1 1 1  -24   10   23 o  478.004  178.983   1.1594   1.0622   1.4167   1.4995   0.9002   1.5050  524.768  208.244  480.466  201.618 44.30200 289.8541 
1 1 1  -24   12    1 o  1281.13   41.647   7.6662   0.4910   8.0385   0.6886   7.2812   0.7002  1303.11   57.429  1237.67   61.480 65.44165 84.12988 
1 1 1  -24   12    2 o  1118.24   44.502   5.8489   0.4579   5.3894   0.6331   6.3530   0.6631  1061.76   65.116  1154.66   62.644 -92.89819 90.35746 
1 1 1  -24   12    3 o  541.245   68.744   1.4185   0.3346   0.8149   0.4463   2.1934   0.5057  394.500  115.542  667.325   84.236 -272.8255 142.9883 
1 1 1  -24   12    4 o  489.406   75.937   1.1740   0.3309   1.3847   0.4626   0.9534   0.4735  521.790   99.992  425.749  117.166 96.04086 154.0336 
1 1 1  -24   12    5 o  218.246   91.656   0.0638   0.3114   0.3337   0.4243  -0.2514   0.4586  292.988  112.335  219.129  100.452 73.85922 150.6978 
1 1 1  -24   12    6 o  209.182   95.125  -0.1927   0.4006  -0.3409   0.4487   0.3889   0.8892  207.902   96.730  370.286  155.157 -162.3831 182.8399 
1 1 1  -24   12    7 o  772.755   76.542   2.8797   0.5371   3.5690   0.6453   1.3252   0.9690  857.818   82.780  493.141  172.838 364.6764 191.6393 
1 1 1  -24   12    8 o  929.055   48.757   4.0419   0.4154   3.6944   0.6675   4.2614   0.5306  873.143   84.118  949.372   61.064 -76.22876 103.9449 
1 1 1  -24   12    9 o  839.815   58.469   3.3268   0.4490   3.6147   0.6758   3.0992   0.6008  863.522   86.202  800.650   82.744 62.87177 119.4873 
1 1 1  -24   12   10 o  504.899   76.560   1.2360   0.3445   0.8214   0.5561   1.4943   0.4389  404.305  130.932  551.419   89.579 -147.1146 158.6428 
1 1 1  -24   12   11 o  489.755  114.439   1.2210   0.5064   0.5835   0.8231   1.6093   0.6424  393.022  154.820  558.371  127.796 -165.3498 200.7507 
1 1 1  -24   12   12 o  444.785   96.395   0.9836   0.3831   1.4487   0.6505   0.7365   0.4741  529.328  133.554  385.951  120.410 143.3776 179.8204 
1 1 1  -24   12   13 o  400.206   89.943   0.7905   0.3232   0.7221   0.4616   0.8563   0.4525  383.493  118.680  413.359  114.856 -29.86606 165.1571 
1 1 1  -24   12   14 o  394.821  102.305   0.7735   0.3747   0.4835   0.5716   0.9920   0.4962  350.261  131.269  444.501  118.961 -94.24060 177.1532 
1 1 1  -24   12   15 o  1965.02   46.982   17.909   0.8495   18.455   1.3222   17.524   1.1086  1983.87   72.428  1938.01   62.168 45.85510 95.44931 
1 1 1  -24   12   16 o  536.653   83.636   1.3880   0.3995   1.0552   0.5382   1.7967   0.5963  458.414  124.411  603.048  111.577 -144.6345 167.1149 
1 1 1  -24   12   17 o  1085.42   56.576   5.4990   0.5631   5.2211   0.7827   5.7971   0.8107  1049.44   81.702  1106.72   80.150 -57.27380 114.4517 
1 1 1  -24   12   18 o  519.733   96.897   1.3258   0.4464   1.3390   0.5886   1.3078   0.6847  514.135  125.519  505.452  141.569 8.683624 189.2007 
1 1 1  -24   12   19 o  781.193   70.309   2.8896   0.5000   3.3730   0.7217   2.4434   0.6933  834.999   95.655  703.051  110.846 131.9473 146.4131 
1 1 1  -24   12   20 o  413.653  128.960   0.8588   0.5439   0.8051   0.8336   0.8986   0.7178  424.953  158.667  429.785  148.858 -4.831879 217.5636 
1 1 1  -24   12   21 o  255.631  108.056   0.0733   0.4374  -0.1362   0.5988   0.3130   0.6405  268.835  119.758  330.368  134.357 -61.53333 179.9827 
1 1 1  -24   12   22 o  551.504  102.380   1.5311   0.5004   1.2332   0.6818   1.8791   0.7368  480.388  143.347  594.443  137.454 -114.0553 198.5997 
1 1 1  -24   14    1 o  1390.17   38.466   9.0073   0.4921   8.5294   0.6698   9.5676   0.7252  1344.32   54.150  1422.96   55.386 -78.64087 77.45901 
1 1 1  -24   14    2 o  942.589   44.559   4.1565   0.3865   3.8562   0.5170   4.5369   0.5818  898.567   62.926  973.618   65.323 -75.05048 90.70216 
1 1 1  -24   14    3 o  439.118   76.498   0.9522   0.2979   1.1458   0.4144   0.7452   0.4285  473.468   98.323  378.554  113.797 94.91406 150.3900 
1 1 1  -24   14    4 o  425.537   65.462   0.8786   0.2481   0.9714   0.4331   0.8333   0.3027  431.979  108.969  408.141   83.419 23.83774 137.2334 
1 1 1  -24   14    5 o  353.783   79.966   0.6251   0.2542   0.8277   0.4430   0.5256   0.3104  398.975  114.613  323.686   96.749 75.28870 149.9887 
1 1 1  -24   14    6 o  741.265   49.580   2.5829   0.3362   2.0397   0.5352   2.9370   0.4321  640.847   93.518  786.843   60.142 -145.9958 111.1878 
1 1 1  -24   14    7 o  707.743   54.604   2.3638   0.3529   1.4750   0.5667   2.9265   0.4509  532.761  118.644  784.833   62.970 -252.0712 134.3193 
1 1 1  -24   14    8 o  833.393   50.907   3.2593   0.3885   3.4126   0.6785   3.1845   0.4739  836.260   89.571  819.373   63.346 16.88739 109.7068 
1 1 1  -24   14    9 o  1072.98   54.662   5.4033   0.5379   6.2782   0.8164   4.7323   0.7150  1145.47   77.921  993.358   78.875 152.1088 110.8735 
1 1 1  -24   14   10 o  422.424   91.132   0.8878   0.3438   0.7789   0.5615   0.9530   0.4349  397.117  131.726  433.207  109.146 -36.08972 171.0689 
1 1 1  -24   14   11 o  362.239  111.735   0.6465   0.4096   0.5710   0.4375   1.1815   1.1646  347.296  116.302  496.487  187.115 -149.1907 220.3140 
1 1 1  -24   14   12 o  591.784  122.171   1.7717   0.6432   1.2785   0.7474   3.1809   1.2633  497.214  150.473  763.828  182.273 -266.6135 236.3591 
1 1 1  -24   14   13 o  158.171   76.580  -0.5460   0.3428  -1.0375   0.4960  -0.0964   0.4743  174.490   86.057  244.973  107.982 -70.48363 138.0795 
1 1 1  -24   14   14 o  230.102   95.016   0.0867   0.3265   0.2665   0.4843  -0.0631   0.4421  299.179  118.471  240.600  105.200 58.57916 158.4370 
1 1 1  -24   14   15 o  1505.34   46.539   10.514   0.6446   9.7835   0.8955   11.300   0.9288  1445.50   67.323  1554.42   64.933 -108.9187 93.53439 
1 1 1  -24   14   16 o  491.490   91.851   1.1823   0.4001   1.4749   0.5900   0.9332   0.5445  540.827  121.520  431.849  127.927 108.9785 176.4441 
1 1 1  -24   14   17 o  438.022  109.553   0.9617   0.4404   0.7448   0.6054   1.2056   0.6419  398.164  136.780  485.492  137.464 -87.32877 193.9202 
1 1 1  -24   14   18 o  815.911   70.028   3.1530   0.5207   4.3158   0.7580   2.1142   0.7164  948.265   87.865  646.066  125.030 302.1996 152.8162 
1 1 1  -24   14   19 o  338.973  117.356   0.5290   0.4461  -0.0811   0.6085   1.2374   0.6558  277.955  122.426  487.312  139.286 -209.3575 185.4414 
1 1 1  -24   14   20 o  176.297   86.940  -1.0316   0.5057  -0.8214   0.7787  -1.1849   0.6651  254.714  121.214  208.836  102.325 45.87862 158.6291 
1 1 1  -24   14   21 o  514.011  110.632   1.3549   0.5078   2.0296   0.7354   0.7400   0.7020  619.893  132.909  396.336  146.064 223.5568 197.4832 
1 1 1  -24   16    1 o  1354.70   34.832   8.5312   0.4342   8.8693   0.6269   8.2194   0.6020  1374.06   49.581  1322.83   49.454 51.22876 70.02793 
1 1 1  -24   16    2 o  1305.37   31.767   7.9052   0.3816   7.6242   0.6334   8.0653   0.4780  1271.96   54.121  1315.55   39.489 -43.58569 66.99584 
1 1 1  -24   16    3 o  448.101   56.178   0.9606   0.2265   1.2039   0.4007   0.8463   0.2747  488.480   92.536  414.155   74.824 74.32520 119.0022 
1 1 1  -24   16    4 o  1554.10   35.208   11.217   0.5035   11.195   0.8316   11.230   0.6326  1539.76   58.691  1550.75   44.333 -10.99036 73.55301 
1 1 1  -24   16    5 o  416.817   70.610   0.8485   0.2611   0.3609   0.4545   1.0889   0.3191  303.097  116.248  471.437   76.153 -168.3395 138.9706 
1 1 1  -24   16    6 o  933.014   44.606   4.0598   0.3830   4.4933   0.6519   3.8314   0.4732  967.844   73.754  900.723   57.394 67.12024 93.45435 
1 1 1  -24   16    7 o  265.374   92.991   0.3122   0.2805   0.2309   0.4954   0.3505   0.3403  290.624  118.177  284.154  102.136 6.469421 156.1970 
1 1 1  -24   16    8 o  629.925   64.090   1.8885   0.3663   1.4067   0.6225   2.1437   0.4531  517.446  130.706  667.598   75.052 -150.1521 150.7213 
1 1 1  -24   16    9 o  220.011   93.824   0.0228   0.3348   0.0459   0.5481   0.0091   0.4228  278.152  119.372  242.825  104.538 35.32765 158.6749 
1 1 1  -24   16   10 o  308.989   97.087   0.4593   0.3076   0.7949   0.4761   0.2188   0.4030  397.791  120.033  271.854  107.936 125.9370 161.4249 
1 1 1  -24   16   11 o  960.455   53.359   4.3138   0.4697   5.3968   0.7432   3.5935   0.6061  1066.02   76.268  868.736   76.609 197.2873 108.1006 
1 1 1  -24   16   12 o  283.527  113.918   0.2152   0.4544   0.4235   0.6478   0.0135   0.6375  350.602  137.585  296.219  127.941 54.38327 187.8788 
1 1 1  -24   16   13 o  457.427   88.414   1.0258   0.3587   1.3014   0.5046   0.7445   0.5099  509.635  110.774  390.722  125.251 118.9136 167.2088 
1 1 1  -24   16   14 o  866.598   59.221   3.5229   0.4694   3.7509   0.6695   3.3023   0.6583  886.325   83.056  829.490   87.578 56.83441 120.6985 
1 1 1  -24   16   15 o  311.787  110.177   0.4240   0.3944   0.4041   0.5358   0.4474   0.5825  330.150  126.321  344.473  131.728 -14.32233 182.5080 
1 1 1  -24   16   16 o  265.094  114.407   0.0003   0.5089   0.0003   0.5089   0.0000   0.0000  265.094  114.407  ?   ?  0.000000 114.4070 
1 1 1  -24   16   17 o  257.228  112.707  -0.0601   0.5098   0.4621   0.5694  -2.1718   1.1451  343.150  130.473  264.965  130.694 78.18478 184.6727 
1 1 1  -24   16   18 o  484.820  101.305   1.1796   0.4374   1.3113   0.5971   1.0271   0.6425  502.125  128.647  446.268  140.328 55.85748 190.3737 
1 1 1  -24   16   19 o  383.768  118.442   0.7461   0.4601   1.1074   0.6496   0.3824   0.6518  458.303  140.620  339.876  136.481 118.4272 195.9619 
1 1 1  -24   16   20 o  290.411  124.191   0.0999   0.5895   0.9060   0.8766  -0.5655   0.7965  430.773  162.342  272.474  127.467 158.2995 206.4044 
1 1 1  -24   16   21 o  608.266  124.453   1.9512   0.6731  -0.1068   1.3762   2.5984   0.7717  386.961  176.099  704.911  123.473 -317.9506 215.0734 
1 1 1  -24   18    1 o  684.070  149.210   2.5983   0.9128   2.1837   1.1777   3.2219   1.4445  594.380  190.339  704.986  208.247 -110.6054 282.1271 
1 1 1  -24   18    2 o  751.956   44.326   2.6497   0.3053   2.7275   0.4886   2.5998   0.3911  752.285   71.444  740.113   57.892 12.17163 91.95516 
1 1 1  -24   18    3 o  869.075   38.924   3.5142   0.3113   3.5956   0.5721   3.4800   0.3710  864.540   72.583  861.427   46.982 3.113220 86.46198 
1 1 1  -24   18    4 o  1115.17   37.929   5.7802   0.3892   5.7637   0.6586   5.7891   0.4825  1100.90   65.306  1112.96   47.110 -12.06323 80.52483 
1 1 1  -24   18    5 o  390.737   75.535   0.7517   0.2618   0.9898   0.4937   0.6585   0.3087  435.638  119.538  361.290   92.475 74.34732 151.1322 
1 1 1  -24   18    6 o  305.253   92.160   0.4585   0.2806   0.2817   0.5545   0.5193   0.3253  309.296  125.291  324.127   99.519 -14.83072 160.0052 
1 1 1  -24   18    7 o  1400.27   38.384   9.1006   0.4946   9.3188   0.7364   8.9213   0.6675  1409.66   56.773  1381.16   52.522 28.50586 77.34161 
1 1 1  -24   18    8 o  807.380   50.498   3.0535   0.3733   2.9274   0.5440   3.1656   0.5131  781.490   76.643  815.951   68.985 -34.46021 103.1164 
1 1 1  -24   18    9 f  437.153  100.660   0.9602   0.3965   0.8567   0.7099   1.0071   0.4781  420.635  147.903  444.112  115.797 -23.47681 187.8412 
1 1 1  -24   18   10 o  289.269   96.922   0.3855   0.3038   0.3484   0.4595   0.4144   0.4051  306.156  117.012  310.061  111.436 -3.905090 161.5847 
1 1 1  -24   18   11 o  1130.95   46.416   5.9469   0.4830   5.9066   0.6881   5.9860   0.6782  1118.87   67.145  1126.99   65.687 -8.113525 93.93219 
1 1 1  -24   18   12 o  279.979  109.583   0.2534   0.4101  -0.2019   0.5267   0.9544   0.6534  245.910  110.712  436.229  141.973 -190.3188 180.0367 
1 1 1  -24   18   13 o  1138.28   49.607   6.0325   0.5196   6.5614   0.7514   5.5478   0.7193  1178.52   69.597  1082.06   72.664 96.45667 100.6167 
1 1 1  -24   18   14 o  1591.28   49.890   11.794   0.7305   12.483   0.9883   10.965   1.0846  1629.67   65.906  1519.24   77.846 110.4283 101.9983 
1 1 1  -24   18   15 o  200.984   91.312  -0.1910   0.3680  -0.2675   0.5055  -0.1047   0.5369  233.021  106.308  258.382  114.338 -25.36136 156.1239 
1 1 1  -24   18   16 o  281.053  105.426   0.3079   0.3689   0.4573   0.5487   0.1847   0.4982  337.616  128.149  285.909  117.637 51.70749 173.9562 
1 1 1  -24   18   17 o  386.050  111.418   0.7584   0.4178   0.4516   0.5909   1.0651   0.5907  341.117  132.092  450.798  133.180 -109.6812 187.5772 
1 1 1  -24   18   18 o  330.077  115.443   0.5117   0.4322   0.2980   0.5824   0.7736   0.6447  315.179  128.143  396.228  140.780 -81.04977 190.3673 
1 1 1  -24   18   19 o  264.196  110.715   0.1286   0.4528  -0.2664   0.6046   0.6332   0.6834  253.790  115.971  374.486  142.806 -120.6960 183.9638 
1 1 1  -24   18   20 o  662.274  151.192   2.4619   0.9011   2.7433   1.0501   1.6759   1.7550  685.799  167.779  530.143  219.705 155.6561 276.4420 
1 1 1  -24   20    1 o  363.618  165.416  -0.1476   1.2128   0.0000   0.0000  -0.1476   1.2128  ?   ?   363.618  165.416 0.000000 165.4159 
1 1 1  -24   20    2 o  492.432   57.132   1.1571   0.2541   0.0000   0.0000   1.1571   0.2541  ?   ?   492.432   57.132 0.000000 57.13249 
1 1 1  -24   20    3 o  490.573   58.350   1.1491   0.2582   0.0000   0.0000   1.1491   0.2582  ?   ?   490.573   58.350 0.000000 58.35002 
1 1 1  -24   20    4 o  847.572   50.930   3.3757   0.3954   0.0000   0.0000   3.3757   0.3954  ?   ?   847.572   50.930 0.000000 50.92997 
1 1 1  -24   20    5 o  164.542   72.594  -0.0519   0.2148  -0.2641   0.3820   0.0463   0.2599  195.945   90.496  199.600   83.768 -3.654770 123.3150 
1 1 1  -24   20    6 o  1646.81   35.890   12.579   0.5439   12.209   0.7925   12.909   0.7477  1614.52   53.343  1662.52   48.877 -47.99609 72.35001 
1 1 1  -24   20    7 o  793.095   47.353   2.9433   0.3440   3.0611   0.5119   2.8464   0.4645  801.004   70.164  773.851   65.857 27.15308 96.22947 
1 1 1  -24   20    8 o  770.722   49.468   2.7830   0.3490   2.5002   0.4908   3.0721   0.4962  721.883   74.988  803.793   67.725 -81.90918 101.0445 
1 1 1  -24   20    9 o  782.997   67.992   2.9150   0.4850   3.0827   0.7267   2.7803   0.6513  789.902  102.393  752.620   96.247 37.28204 140.5268 
1 1 1  -24   20   10 o  643.206   62.500   1.9622   0.3652   1.7645   0.5104   2.1696   0.5229  597.655   96.066  667.706   87.183 -70.05139 129.7290 
1 1 1  -24   20   11 o  1658.44   44.496   12.795   0.6790   11.700   0.9262   14.067   0.9984  1576.76   63.838  1729.61   62.734 -152.8477 89.50307 
1 1 1  -24   20   12 o  576.675   80.016   1.6119   0.4132   1.9247   0.5723   1.2717   0.5970  621.246  103.783  493.681  129.729 127.5656 166.1339 
1 1 1  -24   20   13 o  416.733  104.366   0.8811   0.3993   0.5525   0.5243   1.3349   0.6162  350.471  126.677  504.494  131.426 -154.0230 182.5374 
1 1 1  -24   20   14 f  1036.66   56.087   5.0540   0.5330   5.4582   0.7569   4.6562   0.7508  1067.06   77.615  981.798   83.913 85.25690 114.3043 
1 1 1  -24   20   15 o  1168.14   54.693   6.4019   0.5879   6.7517   0.8356   6.0592   0.8272  1186.23   76.970  1121.21   80.720 65.02075 111.5354 
1 1 1  -24   20   16 o  200.623   92.101  -0.2321   0.3874  -0.0172   0.5776  -0.4079   0.5223  273.860  119.979  221.868  103.603 51.99147 158.5201 
1 1 1  -24   20   17 o  329.699  114.316   0.5242   0.4234   0.5297   0.5923   0.5184   0.6053  348.326  132.922  348.008  133.990 0.3185730 188.7366 
1 1 1  -24   20   18 f  222.505  100.849  -0.1723   0.4456   0.2958   0.6121  -0.7002   0.6500  315.109  130.099  229.261  109.553 85.84845 170.0811 
1 1 1  -24   22    1 o  772.298  158.441   3.4124   1.0882   2.8394   1.4700   4.1072   1.6186  643.647  213.109  776.899  217.699 -133.2523 304.6448 
1 1 1  -24   22    2 o  1092.29   50.014   5.6040   0.5027   4.0503   1.5505   5.7865   0.5314  788.290  209.983  1108.98   52.074 -320.6940 216.3439 
1 1 1  -24   22    3 o  1350.07   33.226   8.4596   0.4128   9.0107   0.7168   8.1862   0.5049  1382.08   56.360  1324.88   41.415 57.20386 69.94011 
1 1 1  -24   22    4 f  324.408   76.219   0.5245   0.2237   0.4581   0.4074   0.5532   0.2676  314.723  111.902  331.317   86.751 -16.59357 141.5902 
1 1 1  -24   22    5 o  306.804   85.223   0.4704   0.2492   0.5826   0.4348   0.4155   0.3041  344.294  115.941  294.116   96.907 50.17816 151.1067 
1 1 1  -24   22    6 o  844.691   49.088   3.3496   0.3799   3.3771   0.6374   3.3345   0.4731  832.297   84.396  837.926   61.795 -5.629028 104.6005 
1 1 1  -24   22    7 o  161.724   74.951  -0.2059   0.2654  -0.7120   0.4581   0.0496   0.3256  181.079   87.874  220.358   93.188 -39.27942 128.0854 
1 1 1  -24   22    8 o  419.323   90.358   0.8827   0.3384   0.7645   0.5537   0.9532   0.4274  389.511  130.842  430.358  108.087 -40.84668 169.7126 
1 1 1  -24   22    9 o  384.796  126.312   0.7484   0.5168  -1.0767   1.0977   1.2682   0.5858  297.813  142.326  489.425  128.454 -191.6121 191.7210 
1 1 1  -24   22   10 o  235.666   96.961   0.1161   0.3385   0.2913   0.5026  -0.0292   0.4578  300.614  120.158  245.133  107.120 55.48117 160.9743 
1 1 1  -24   22   11 o  1033.18   75.442   5.1283   0.7123   5.2437   0.8563   4.8690   1.2831  1035.15   90.818  949.209  152.035 85.94196 177.0946 
1 1 1  -24   22   12 o  628.089   73.444   1.9074   0.4165   1.8482   0.5890   1.9666   0.5889  600.685  110.642  622.162  106.705 -21.47729 153.7129 
1 1 1  -24   22   13 o  513.612   86.919   1.3116   0.3961   1.9329   0.5952   0.8176   0.5308  614.180  109.323  396.796  127.853 217.3842 168.2198 
1 1 1  -24   22   14 o  471.923  100.172   1.1414   0.4215   1.0799   0.6023   1.2004   0.5902  446.518  135.074  470.778  131.287 -24.26044 188.3651 
1 1 1  -24   22   15 o  291.241  109.195   0.3601   0.3956   0.4318   0.5725   0.2945   0.5474  328.588  129.216  304.518  124.063 24.07013 179.1326 
1 1 1  -24   22   16 o  360.508  115.116   0.6780   0.4310   0.9965   0.6335   0.4035   0.5882  425.133  139.857  324.539  129.887 100.5938 190.8678 
1 1 1  -24   22   17 o  583.194   95.510   1.7383   0.4948   1.8748   0.7056   1.6062   0.6940  579.132  134.919  531.336  139.989 47.79596 194.4226 
1 1 1  -24   24    1 o  611.794   45.361   1.7697   0.2535   1.4631   0.3280   2.2246   0.3996  547.440   66.487  677.260   64.913 -129.8197 92.91992 
1 1 1  -24   24    2 o  289.531   76.909   0.4235   0.2084   0.1443   0.3056   0.6661   0.2848  228.760   92.895  360.120   86.939 -131.3596 127.2319 
1 1 1  -24   24    3 o  472.784   60.306   1.0801   0.2564   1.2965   0.4376   0.9669   0.3164  500.880   98.446  438.631   81.382 62.24969 127.7288 
1 1 1  -24   24    4 o  382.404   74.723   0.7289   0.2535   1.4537   0.4685   0.4289   0.3014  531.429   99.466  294.742   96.454 236.6865 138.5524 
1 1 1  -24   24    5 o  496.211   67.683   1.1985   0.3010   1.6822   0.5236   0.9599   0.3678  571.073  103.456  432.177   95.072 138.8961 140.5059 
1 1 1  -24   24    6 o  230.269   90.025   0.1795   0.2765   0.0921   0.4757   0.2241   0.3398  262.094  111.805  253.902   99.648 8.192047 149.7672 
1 1 1  -24   24    7 o  437.075   85.904   0.9623   0.3332   0.7910   0.5308   1.0737   0.4280  387.899  128.045  454.079  104.584 -66.18085 165.3281 
1 1 1  -24   24    8 o  534.768   80.446   1.4147   0.3836   1.0917   0.6042   1.6328   0.4965  446.183  135.352  565.854   98.961 -119.6710 167.6701 
1 1 1  -24   24    9 o  687.918   94.444   2.3794   0.5821   1.1361   1.4404   2.6220   0.6363  472.086  197.623  719.940   98.648 -247.8542 220.8763 
1 1 1  -24   24   10 o  422.684  101.408   0.9287   0.3894   1.1099   0.6361   0.8201   0.4924  447.703  139.442  392.885  122.734 54.81882 185.7626 
1 1 1  -24   24   11 o  396.516  120.494   0.8400   0.4785   1.0620   0.6050   0.4691   0.7820  438.496  135.892  357.320  147.243 81.17645 200.3672 
1 1 1  -24   24   12 o  571.841   90.266   1.6514   0.4592   1.7238   0.7352   1.6050   0.5880  549.819  143.708  545.802  120.324 4.016418 187.4297 
1 1 1  -24   24   13 o  625.355   83.436   1.9522   0.4681   1.8457   0.7756   2.0132   0.5872  563.432  147.765  620.681  106.653 -57.24841 182.2344 
1 1 1  -24   24   14 o  446.394  115.476   1.0847   0.4779   1.2229   0.7625   0.9952   0.6133  454.952  153.531  419.872  137.593 35.07956 206.1638 
1 1 1  -24   24   15 o  225.375  101.255  -0.1008   0.4379  -0.1740   0.7019  -0.0542   0.5603  274.275  125.183  258.368  115.413 15.90656 170.2672 
1 1 1  -24   26    1 o  691.001   45.769   2.2740   0.2894   2.1265   0.4060   2.4261   0.4125  654.713   68.407  702.381   64.548 -47.66791 94.05274 
1 1 1  -24   26    2 o  453.302   64.552   1.0163   0.2616   0.9339   0.3828   1.0885   0.3584  414.681  101.219  456.384   88.543 -41.70337 134.4805 
1 1 1  -24   26    3 o  687.692   50.793   2.2609   0.3191   1.8042   0.5057   2.5632   0.4114  585.658   97.252  725.807   62.201 -140.1487 115.4419 
1 1 1  -24   26    4 o  612.102   57.071   1.8084   0.3177   1.9984   0.5431   1.7094   0.3918  616.914   99.018  585.691   74.374 31.22302 123.8387 
1 1 1  -24   26    5 o  600.492   61.084   1.7501   0.3328   1.2917   0.5599   2.0006   0.4139  476.605  125.824  636.242   71.958 -159.6374 144.9467 
1 1 1  -24   26    6 o  494.093   77.614   1.2265   0.3412   1.2523   0.5692   1.2121   0.4263  468.341  128.294  478.558  100.040 -10.21677 162.6880 
1 1 1  -24   26    7 o  197.106   86.528  -0.0236   0.3018  -0.5594   0.5277   0.2368   0.3678  205.833   98.455  257.947  102.896 -52.11365 142.4112 
1 1 1  -24   26    8 o  378.871  120.924   0.7910   0.4757  -0.2126   1.5906   0.8895   0.4985  373.822  176.508  399.005  123.300 -25.18250 215.3095 
1 1 1  -24   26    9 o  220.594   95.038   0.0406   0.3500   0.1403   0.5736  -0.0186   0.4417  281.240  121.417  235.304  103.938 45.93539 159.8285 
1 1 1  -24   26   10 o  566.044   88.325   1.6422   0.4450   1.9292   0.7104   1.4569   0.5709  576.493  136.109  508.685  123.262 67.80798 183.6279 
1 1 1  -24   26   11 o  389.158  133.732   0.8625   0.5787   2.0102   0.7984  -0.4082   0.8401  573.724  149.670  276.897  129.973 296.8270 198.2272 
1 1 1  -24   26   12 o  537.842  101.721   1.5420   0.4850   1.3218   0.8026   1.6687   0.6087  456.600  157.453  541.948  124.652 -85.34833 200.8224 
1 1 1  -24   26   13 o  792.297   77.262   3.1407   0.5561   2.2076   0.8717   3.7810   0.7221  589.587  157.637  854.757   93.331 -265.1703 183.1943 
1 1 1  -24   28    1 o  343.095   97.999   0.6746   0.3248   0.4878   0.3837   1.1463   0.6098  295.457  108.124  409.640  137.311 -114.1827 174.7718 
1 1 1  -24   28    2 o  453.914   89.508   1.1209   0.3606   1.2340   0.4485   0.9141   0.6062  461.161  107.655  373.780  136.042 87.38098 173.4851 
1 1 1  -24   28    3 o  199.172   86.858   0.0273   0.2996   0.0604   0.4059  -0.0123   0.4442  229.060  100.459  227.960  102.228 1.100632 143.3272 
1 1 1  -24   28    4 o  325.270   99.670   0.5905   0.3265   0.6868   0.5138   0.5253   0.4228  342.046  125.131  309.823  113.484 32.22229 168.9278 
1 1 1  -24   28    5 o  137.495   67.297  -0.4825   0.2854  -0.0223   0.4639  -0.7627   0.3620  232.594  104.378  143.740   71.359 88.85309 126.4394 
1 1 1  -24   28    6 o  308.065  100.550   0.5181   0.3277   0.9379   0.5619   0.3018   0.4034  389.673  131.797  267.993  107.454 121.6794 170.0498 
1 1 1  -24   28    7 o  866.902   59.489   3.6764   0.4717   2.5751   0.7729   4.3301   0.5954  652.605  133.210  930.646   70.042 -278.0404 150.5021 
1 1 1  -24   28    8 o  249.166  108.999   0.0888   0.4752   0.0549   1.7886   0.0914   0.4929  366.728  176.910  252.718  110.770 114.0096 208.7277 
1 1 1  -24   28    9 o  284.500  107.110   0.3998   0.3814   0.4055   0.6469   0.3968   0.4723  311.802  131.581  293.008  116.680 18.79355 175.8630 
1 1 1  -24   28   10 o  173.371   84.858  -0.7050   0.4538  -0.5863   0.5668  -0.9171   0.7574  207.926  100.123  226.529  110.610 -18.60258 149.1951 
1 1 1  -24   28   11 o  350.871  168.278  -0.0882   1.5646  -0.0882   1.5646   0.0000   0.0000  350.871  168.278  ?   ?  0.000000 168.2776 
1 1 1  -24   30    1 o  251.297  128.566  -3.3950   1.8279   0.0000   0.0000  -3.3950   1.8279  ?   ?   251.297  128.566 0.000000 128.5661 
1 1 1  -24   30    2 o  325.968  163.046   0.2507   2.0451   0.0000   0.0000   0.2507   2.0451  ?   ?   325.968  163.046 0.000000 163.0458 
1 1 1  -24   30    3 o  348.883  171.752   0.9675   1.9457   0.0000   0.0000   0.9675   1.9457  ?   ?   348.883  171.752 0.000000 171.7522 
1 1 1  -24   30    4 o  364.137  177.924   1.2796   1.9697   0.0000   0.0000   1.2796   1.9697  ?   ?   364.137  177.924 0.000000 177.9244 
1 1 1  -24   30    5 o  337.800  166.362   0.2510   1.8315   0.0000   0.0000   0.2510   1.8315  ?   ?   337.800  166.362 0.000000 166.3624 
1 1 1  -24   30    6 o  296.871  145.387  -0.4779   1.3377   0.7761   1.8517  -1.8464   1.9345  358.156  174.454  297.116  149.928 61.04034 230.0272 
1 1 1  -23    1    1 f  1360.77   51.419   8.6765   0.6438   8.5404   0.7818   8.9632   1.1348  1343.83   63.228  1354.11   91.613 -10.28040 111.3138 
1 1 1  -23    1    2 o  426.919   98.558   0.9237   0.3793   1.0381   0.4530   0.6550   0.6941  449.071  110.396  382.870  144.413 66.20117 181.7756 
1 1 1  -23    1    3 o  631.658   68.995   1.9104   0.3945   1.7584   0.4704   2.2710   0.7244  598.474   88.046  663.867  123.115 -65.39270 151.3578 
1 1 1  -23    1    4 o  863.248   58.398   3.5137   0.4611   3.6850   0.5781   3.2139   0.7647  878.651   72.140  803.633  105.991 75.01819 128.2122 
1 1 1  -23    1    5 o  773.460   55.612   2.8157   0.3932   3.1725   0.5648   2.4804   0.5476  813.438   76.355  714.992   84.889 98.44598 114.1765 
1 1 1  -23    1    6 o  1200.61   47.327   6.7176   0.5229   7.7297   0.7561   5.7902   0.7238  1279.44   64.431  1103.48   71.671 175.9580 96.37479 
1 1 1  -23    1    7 o  1181.31   54.226   6.5286   0.5894   6.5199   0.7245   6.5456   1.0137  1173.47   67.379  1159.28   95.891 14.19470 117.1964 
1 1 1  -23    1    8 o  1123.70   70.093   5.9935   0.7211   5.4744   1.0114   6.5303   1.0285  1053.42  105.770  1156.92   97.522 -103.5061 143.8674 
1 1 1  -23    1    9 o  1052.92   64.911   5.2411   0.6258   4.7316   1.0651   5.5098   0.7734  968.145  122.289  1072.92   78.892 -104.7766 145.5289 
1 1 1  -23    1   10 o  444.194  103.393   0.9968   0.4147   0.4309   0.5683   1.6412   0.6065  336.276  129.729  565.817  120.191 -229.5411 176.8484 
1 1 1  -23    1   11 o  934.997   61.916   4.1224   0.5297   3.4494   0.7392   4.8326   0.7593  839.778   97.479  1003.27   82.998 -163.4962 128.0263 
1 1 1  -23    1   12 o  1341.42   62.693   8.4476   0.7738   8.7474   1.3616   8.3046   0.9405  1332.31  112.110  1320.89   77.721 11.41431 136.4159 
1 1 1  -23    1   13 o  223.535   99.648  -0.1279   0.4154   0.6403   0.7042  -0.5377   0.5144  388.239  145.660  211.740  100.099 176.4998 176.7392 
1 1 1  -23    1   14 o  956.606   64.760   4.3102   0.5667   3.9121   0.8117   4.6887   0.7915  896.828  100.071  988.510   87.932 -91.68262 133.2149 
1 1 1  -23    1   15 o  445.385  105.015   0.9912   0.4234   0.6564   0.5985   1.3265   0.5990  381.718  135.639  509.920  127.883 -128.2015 186.4193 
1 1 1  -23    1   16 o  633.776   91.325   1.9415   0.5172   1.9674   0.7469   1.9176   0.7169  622.513  134.329  615.813  130.573 6.700256 187.3325 
1 1 1  -23    1   17 f  1147.86   56.655   6.1265   0.5984   5.9928   0.9480   6.2151   0.7715  1121.93   92.660  1149.86   73.302 -27.92969 118.1479 
1 1 1  -23    1   18 o  345.968  113.324   0.5555   0.4161  -0.0818   0.6374   1.0287   0.5492  289.107  126.364  454.724  126.596 -165.6176 178.8703 
1 1 1  -23    1   19 o  285.757  112.835   0.2340   0.4382  -0.0375   0.5885   0.5719   0.6565  282.753  122.524  379.190  140.959 -96.43744 186.7662 
1 1 1  -23    1   20 o  326.810  109.494   0.4856   0.3878   0.4448   0.5486   0.5263   0.5482  342.233  128.527  356.263  129.417 -14.03030 182.3952 
1 1 1  -23    1   21 o  1183.16   56.878   6.5135   0.6192   6.6591   0.9059   6.3858   0.8483  1185.93   83.554  1162.67   79.778 23.25146 115.5239 
1 1 1  -23    1   22 o  568.677  158.631   1.6926   0.8615   0.6398   1.1440   3.0716   1.3093  443.440  179.846  750.920  189.483 -307.4803 261.2435 
1 1 1  -23    1   23 o  411.769  118.538   0.8545   0.4734   0.0404   0.6304   1.9075   0.7170  297.049  127.765  609.357  131.707 -312.3081 183.4955 
1 1 1  -23    1   24 o  585.116  106.579   1.7162   0.5527   1.4629   0.7811   1.9702   0.7822  522.971  152.754  610.954  141.853 -87.98285 208.4607 
1 1 1  -23    3    1 o  156.399   74.184  -0.3244   0.2871  -0.6512   0.3970   0.0337   0.4155  166.619   81.074  242.213  103.942 -75.59369 131.8217 
1 1 1  -23    3    2 o  256.915   98.735   0.2381   0.3283   0.2764   0.4177   0.1761   0.5309  282.454  110.585  289.103  120.410 -6.649414 163.4856 
1 1 1  -23    3    3 o  1149.96   51.402   6.1873   0.5439   5.6034   0.6647   7.3709   0.9463  1086.26   66.823  1235.79   83.711 -149.5309 107.1115 
1 1 1  -23    3    4 o  375.090   98.139   0.7104   0.3426   0.7683   0.4322   0.6125   0.5620  388.427  113.685  364.211  131.224 24.21698 173.6203 
1 1 1  -23    3    5 o  536.927  100.699   1.4450   0.4792   1.4450   0.4792   0.0000   0.0000  536.927  100.699  ?   ?  0.000000 100.6992 
1 1 1  -23    3    6 o  433.230  115.335   0.9641   0.4679   0.9641   0.4679   0.0000   0.0000  433.230  115.335  ?   ?  0.000000 115.3351 
1 1 1  -23    3    7 o  1756.91   44.511   14.367   0.7196   14.229   1.0183   14.503   1.0170  1738.09   63.669  1755.19   62.970 -17.09912 89.54874 
1 1 1  -23    3    8 o  525.907   81.032   1.3480   0.3795   0.8011   0.5315   1.9171   0.5422  398.742  127.881  622.091   97.957 -223.3491 161.0874 
1 1 1  -23    3    9 o  1052.72   64.108   5.2375   0.6180   6.3492   1.1517   4.7879   0.7324  1130.03  112.246  998.810   80.374 131.2199 138.0551 
1 1 1  -23    3   10 o  1026.34   66.951   4.9885   0.6288   5.1252   1.0825   4.9189   0.7725  1010.78  118.639  1011.06   83.794 -0.2755737 145.2467 
1 1 1  -23    3   11 o  912.807   60.579   3.9261   0.5059   3.8649   0.6820   4.0010   0.7545  896.173   83.670  908.097   91.541 -11.92407 124.0184 
1 1 1  -23    3   12 f  638.577   78.024   1.9612   0.4489   1.8744   0.6004   2.0712   0.6760  611.220  110.841  639.352  119.298 -28.13208 162.8425 
1 1 1  -23    3   13 o  379.181  108.834   0.7189   0.3996   1.2212   0.5601   0.1980   0.5703  487.859  124.393  304.023  125.558 183.8363 176.7434 
1 1 1  -23    3   14 f  404.165  108.658   0.8198   0.4128   0.6381   0.5574   1.0406   0.6144  373.067  131.066  452.034  136.354 -78.96686 189.1319 
1 1 1  -23    3   15 o  218.410   93.883  -0.0053   0.3400  -0.3324   0.5352   0.2161   0.4403  236.115  108.344  280.980  112.406 -44.86493 156.1202 
1 1 1  -23    3   16 o  704.742   67.890   2.3451   0.4348   2.5866   0.7267   2.2104   0.5427  725.355  112.520  677.745   89.183 47.61084 143.5771 
1 1 1  -23    3   17 o  649.818   86.407   2.0226   0.5039   3.0693   0.9964   1.6630   0.5840  780.349  144.071  580.044  113.486 200.3060 183.4000 
1 1 1  -23    3   18 o  1371.91   69.323   8.8086   0.8723   0.0000   0.0000   8.8086   0.8723  ?   ?   1371.91   69.323 0.000000 69.32349 
1 1 1  -23    3   19 o  491.640  105.135   1.1903   0.4612   1.2921   0.8248   1.1441   0.5563  508.789  158.831  478.556  124.981 30.23309 202.1077 
1 1 1  -23    3   20 f  663.911   97.702   2.1305   0.5790   1.3955   0.8382   2.8014   0.8008  525.005  159.458  755.253  119.187 -230.2472 199.0781 
1 1 1  -23    3   21 o  818.887   84.763   3.1957   0.6295   3.1195   0.9218   3.2622   0.8616  790.707  131.296  814.634  118.412 -23.92627 176.8052 
1 1 1  -23    3   22 o  383.494  129.873   0.6918   0.5456   0.8138   0.7638   0.5647   0.7797  423.737  152.934  390.103  151.541 33.63400 215.2988 
1 1 1  -23    3   23 o  602.639   96.543   1.7840   0.5173   1.4939   0.7578   2.0370   0.7078  532.626  148.858  632.132  126.110 -99.50598 195.0961 
1 1 1  -23    3   24 o  1049.11   69.842   5.2237   0.6704   3.9195   0.8788   7.0393   1.0368  887.989  109.893  1204.01   94.341 -316.0201 144.8333 
1 1 1  -23    5    1 o  938.005   49.286   4.1331   0.4239   3.6410   0.5853   4.6761   0.6148  869.081   73.890  988.918   67.974 -119.8368 100.4001 
1 1 1  -23    5    2 o  409.811   84.820   0.8385   0.3093   0.3076   0.4205   1.4646   0.4566  287.978  111.451  540.459   95.297 -252.4812 146.6387 
1 1 1  -23    5    3 o  1143.27   45.854   6.0993   0.4824   6.7971   0.7104   5.5023   0.6571  1196.98   64.740  1075.60   66.720 121.3806 92.96737 
1 1 1  -23    5    4 f  293.765   95.009   0.4143   0.2929   0.3199   0.4358   0.4920   0.3955  294.037  113.555  322.829  110.573 -28.79236 158.4966 
1 1 1  -23    5    5 o  262.741   95.411   0.2889   0.2980  -0.1082   0.4125   0.7222   0.4309  223.477   99.485  377.405  114.260 -153.9274 151.5012 
1 1 1  -23    5    6 o  549.830   72.531   1.4584   0.3580   1.4097   0.5228   1.5014   0.4913  525.125  111.634  546.795  101.370 -21.66986 150.7909 
1 1 1  -23    5    7 o  478.460   98.792   1.1512   0.4205   0.9737   0.4978   1.5935   0.7858  433.863  120.435  541.844  151.632 -107.9807 193.6404 
1 1 1  -23    5    8 o  721.924   63.903   2.4745   0.4201   1.9071   0.5734   3.1320   0.6172  616.790  104.787  803.989   84.706 -187.1989 134.7424 
1 1 1  -23    5    9 o  1049.33   56.540   5.1758   0.5439   4.0151   0.7337   6.5920   0.8104  909.495   88.803  1175.25   75.338 -265.7526 116.4552 
1 1 1  -23    5   10 o  849.576   72.813   3.4442   0.5637   3.2812   0.9370   3.5366   0.7057  797.959  132.246  852.426   91.397 -54.46686 160.7558 
1 1 1  -23    5   11 o  718.473   69.015   2.4576   0.4507   2.1695   0.6064   2.8129   0.6735  661.229  103.019  756.385   99.159 -95.15686 142.9874 
1 1 1  -23    5   12 o  313.352  108.392   0.4463   0.3805   0.4852   0.5363   0.4070   0.5399  341.734  127.334  329.095  126.589 12.63959 179.5513 
1 1 1  -23    5   13 o  1368.28   47.664   8.7104   0.6001   7.7988   0.9291   9.3628   0.7861  1279.99   79.278  1413.85   60.421 -133.8539 99.67834 
1 1 1  -23    5   14 o  222.410   93.377   0.0528   0.3231   0.3729   0.5111  -0.1604   0.4170  320.251  123.168  220.407   98.930 99.84380 157.9801 
1 1 1  -23    5   15 o  248.978  100.444   0.1491   0.3548   0.3631   0.6083   0.0387   0.4368  336.365  132.900  252.667  107.447 83.69739 170.9010 
1 1 1  -23    5   16 o  474.651   90.883   1.1010   0.3825   2.2308   0.6704   0.5558   0.4657  673.020  112.208  349.919  119.979 323.1010 164.2726 
1 1 1  -23    5   17 o  240.676  101.419   0.0474   0.3834   0.4064   0.7026  -0.1048   0.4575  361.001  142.771  240.566  106.046 120.4355 177.8464 
1 1 1  -23    5   18 o  1202.83   63.212   6.7572   0.6972   8.0024   1.4928   6.4098   0.7885  1280.95  128.372  1168.28   73.722 112.6752 148.0352 
1 1 1  -23    5   19 o  442.730  106.706   0.9699   0.4296   1.3092   0.6878   0.7528   0.5501  509.356  141.624  398.680  130.288 110.6759 192.4382 
1 1 1  -23    5   20 o  771.348   88.860   2.8438   0.6192   3.3044   0.9047   2.4381   0.8492  818.848  123.951  695.849  137.498 122.9998 185.1203 
1 1 1  -23    5   21 o  605.881  107.567   1.8080   0.5777   2.4157   0.8869   1.3600   0.7615  687.114  144.834  515.240  150.919 171.8735 209.1734 
1 1 1  -23    5   22 o  281.415  121.499   0.0033   0.5745  -0.0060   0.7865   0.0139   0.8410  324.251  141.076  336.228  146.084 -11.97702 203.0835 
1 1 1  -23    5   23 o  780.083   84.849   2.9332   0.5992   3.5996   0.9750   2.5287   0.7596  841.425  130.134  707.424  121.044 134.0012 177.7256 
1 1 1  -23    5   24 o  424.361  121.754   0.9263   0.5002   1.4773   0.6778   0.2675   0.7412  528.290  137.946  340.588  142.101 187.7014 198.0452 
1 1 1  -23    7    1 o  411.733   83.006   0.8485   0.3036   1.0222   0.4383   0.6883   0.4210  442.784  108.441  365.594  113.368 77.18997 156.8811 
1 1 1  -23    7    2 o  317.059   90.730   0.5051   0.2781   0.6286   0.4036   0.3934   0.3838  352.261  111.273  298.122  108.283 54.13971 155.2638 
1 1 1  -23    7    3 o  402.810   85.141   0.8119   0.3057   0.8223   0.4423   0.8024   0.4230  398.165  114.554  393.897  111.620 4.268341 159.9423 
1 1 1  -23    7    4 o  677.437   56.392   2.1722   0.3483   2.2076   0.5039   2.1397   0.4820  672.263   83.243  662.841   80.695 9.421997 115.9358 
1 1 1  -23    7    5 f  1159.33   46.303   6.2736   0.4940   6.2345   0.7190   6.3086   0.6798  1144.12   68.612  1153.28   64.311 -9.165771 94.03984 
1 1 1  -23    7    6 o  237.668   94.336   0.1672   0.3078   0.4832   0.4748  -0.0617   0.4042  329.934  120.345  226.799   99.839 103.1354 156.3680 
1 1 1  -23    7    7 o  721.823   62.406   2.4740   0.4104   1.8897   0.5517   3.1981   0.6142  614.504  101.086  812.085   83.372 -197.5807 131.0317 
1 1 1  -23    7    8 o  479.716  104.405   1.1685   0.4478   1.1253   0.5356   1.2689   0.8162  464.458  123.268  485.948  158.698 -21.49042 200.9475 
1 1 1  -23    7    9 o  448.119   94.908   1.0065   0.3792   0.3921   0.5073   1.7842   0.5707  319.461  122.749  594.465  108.327 -275.0042 163.7139 
1 1 1  -23    7   10 o  444.313   96.422   0.9901   0.3829   0.4944   0.5066   1.6505   0.5848  337.866  124.147  568.694  115.687 -230.8283 169.6934 
1 1 1  -23    7   11 o  527.715  102.841   1.3955   0.4814   2.0630   0.8607   1.0915   0.5808  620.074  152.015  458.581  131.078 161.4933 200.7237 
1 1 1  -23    7   12 f  740.330   59.395   2.5840   0.4012   2.8235   0.6564   2.4411   0.5069  760.064   95.991  713.035   78.567 47.02887 124.0444 
1 1 1  -23    7   13 o  1089.40   51.612   5.5322   0.5174   5.4815   0.8172   5.5662   0.6684  1070.21   83.650  1085.89   67.221 -15.68640 107.3124 
1 1 1  -23    7   14 o  413.832   97.323   0.8528   0.3644   1.0816   0.6130   0.7278   0.4531  460.142  135.591  383.584  117.396 76.55722 179.3510 
1 1 1  -23    7   15 o  221.103   95.120  -0.0079   0.3496  -0.4557   0.5519   0.2921   0.4517  229.779  107.030  296.712  115.326 -66.93280 157.3387 
1 1 1  -23    7   16 o  920.238   61.890   3.9669   0.5210   3.2973   0.8041   4.4514   0.6840  822.992  108.857  970.385   77.245 -147.3931 133.4791 
1 1 1  -23    7   17 o  559.847   96.946   1.5251   0.4813   0.7069   0.9846   1.7821   0.5518  437.529  170.202  604.359  102.906 -166.8300 198.8927 
1 1 1  -23    7   18 o  628.808   82.469   1.8883   0.4657   1.1396   0.7519   2.3541   0.5931  480.074  151.913  699.569   94.559 -219.4956 178.9381 
1 1 1  -23    7   19 o  706.698   69.927   2.3565   0.4488   3.5212   0.6785   1.4511   0.5983  860.090   86.930  538.265  123.425 321.8245 150.9654 
1 1 1  -23    7   20 o  680.908  104.615   2.2611   0.6345   3.7616   0.9109   0.8470   0.8843  877.005  115.701  442.792  163.796 434.2127 200.5392 
1 1 1  -23    7   21 o  557.784   98.165   1.5258   0.4854   1.3599   0.6521   1.7320   0.7270  515.389  135.658  580.950  138.034 -65.56036 193.5370 
1 1 1  -23    7   22 o  586.490  121.823   1.7452   0.6360   1.6165   0.8617   1.8991   0.9425  551.701  160.240  594.548  165.951 -42.84625 230.6872 
1 1 1  -23    7   23 f  255.195  110.515  -0.0058   0.4782   0.2759   0.6656  -0.3064   0.6875  330.182  135.923  273.018  124.331 57.16400 184.2098 
1 1 1  -23    7   24 o  896.715   78.658   3.8659   0.6425   4.3402   0.7842   2.8975   1.1206  943.555   91.465  719.468  171.657 224.0866 194.5043 
1 1 1  -23    9    1 o  621.686   58.438   1.8445   0.3304   1.7132   0.4705   1.9722   0.4640  584.821   90.345  632.707   81.598 -47.88593 121.7395 
1 1 1  -23    9    2 o  740.809   53.943   2.5973   0.3652   3.0495   0.5382   2.2114   0.4972  793.353   74.597  670.924   82.252 122.4284 111.0413 
1 1 1  -23    9    3 o  283.384   95.797   0.3792   0.2969  -0.1857   0.4018   1.0579   0.4405  209.628   95.305  451.523  107.549 -241.8949 143.7006 
1 1 1  -23    9    4 o  357.388   95.506   0.6496   0.3201   0.5753   0.4760   0.7108   0.4324  345.765  121.142  372.240  114.813 -26.47516 166.9056 
1 1 1  -23    9    5 o  787.745   55.126   2.9307   0.3971   2.7605   0.5549   3.1094   0.5684  753.106   81.365  801.390   78.076 -48.28351 112.7663 
1 1 1  -23    9    6 o  666.194   63.371   2.1161   0.3838   1.7344   0.5307   2.5347   0.5557  586.357  102.066  719.866   85.567 -133.5089 133.1889 
1 1 1  -23    9    7 o  1231.12   49.174   7.0865   0.5571   7.5507   0.8005   6.6506   0.7757  1259.18   69.357  1180.11   71.774 79.06555 99.80882 
1 1 1  -23    9    8 o  426.970  107.672   0.9342   0.4229   0.9260   0.5012   0.9544   0.7883  422.521  122.062  435.287  155.561 -12.76663 197.7328 
1 1 1  -23    9    9 o  411.197   84.880   0.8392   0.3105   0.4788   0.5063   1.0565   0.3931  334.121  123.870  458.675   96.217 -124.5540 156.8492 
1 1 1  -23    9   10 o  1178.01   46.306   6.4652   0.5019   6.3491   0.8261   6.5332   0.6320  1151.68   78.416  1179.92   58.209 -28.23999 97.65958 
1 1 1  -23    9   11 o  753.703   82.391   2.7409   0.5621   2.7355   0.9416   2.7440   0.7006  718.953  147.286  743.578  105.346 -24.62573 181.0832 
1 1 1  -23    9   12 o  710.933   62.184   2.3897   0.4027   2.0353   0.6254   2.6408   0.5264  637.353  110.644  742.008   78.273 -104.6555 135.5312 
1 1 1  -23    9   13 o  801.353   62.051   3.0273   0.4540   3.4162   0.7229   2.7739   0.5834  838.511   95.389  758.920   84.998 79.59149 127.7643 
1 1 1  -23    9   14 o  1018.83   55.592   4.8552   0.5192   4.7519   0.8341   4.9205   0.6634  993.850   92.260  1020.43   71.095 -26.58044 116.4748 
1 1 1  -23    9   15 o  432.788   97.077   0.9267   0.3771   0.9541   0.6033   0.9091   0.4831  437.786  135.704  426.086  118.764 11.70050 180.3344 
1 1 1  -23    9   16 o  1175.17   54.075   6.4196   0.5847   6.2525   0.8827   6.5502   0.7806  1148.64   84.099  1180.26   72.222 -31.62329 110.8543 
1 1 1  -23    9   17 o  379.577  103.481   0.7093   0.3714   0.4764   0.5674   0.8837   0.4911  349.939  130.858  422.279  120.481 -72.33978 177.8749 
1 1 1  -23    9   18 o  618.908   77.800   1.8247   0.4333   1.8107   0.6036   1.8396   0.6224  605.944  112.385  609.963  115.108 -4.018860 160.8733 
1 1 1  -23    9   19 o  368.088  111.917   0.6580   0.4127   0.1300   0.5170   1.5856   0.6853  286.343  119.005  558.830  134.824 -272.4871 179.8328 
1 1 1  -23    9   20 o  798.735  103.535   3.1024   0.7430   3.2747   1.0042   2.8940   1.1046  803.682  140.931  741.933  165.952 61.74841 217.7192 
1 1 1  -23    9   21 o  403.401  117.599   0.8142   0.4633   1.3173   0.6838   0.3872   0.6300  504.649  141.530  342.576  135.286 162.0729 195.7880 
1 1 1  -23    9   22 o  341.715  122.327   0.5198   0.4877   0.7490   0.6845   0.2837   0.6949  401.781  144.811  337.015  138.828 64.76541 200.6079 
1 1 1  -23    9   23 o  543.690  107.251   1.4954   0.5175   2.7226   0.7718   0.4930   0.6975  731.888  118.669  362.138  142.561 369.7496 185.4880 
1 1 1  -23   11    1 o  759.049   62.074   2.7572   0.4298   2.7324   0.4803   2.8565   0.9626  751.592   70.263  710.496  151.840 41.09552 167.3086 
1 1 1  -23   11    2 o  643.381   73.779   2.0142   0.4289   1.7334   0.4725   3.3293   1.0223  588.526   90.116  773.692  149.004 -185.1661 174.1352 
1 1 1  -23   11    3 o  720.033   55.507   2.4583   0.3649   2.3452   0.5191   2.5688   0.5131  690.588   83.380  725.917   78.041 -35.32867 114.2046 
1 1 1  -23   11    4 o  796.590   53.176   2.9962   0.3875   3.0378   0.5497   2.9551   0.5464  791.570   76.420  780.274   77.118 11.29596 108.5685 
1 1 1  -23   11    5 o  737.499   56.427   2.5758   0.3800   2.5512   0.5404   2.5999   0.5345  722.381   82.798  730.262   80.899 -7.880554 115.7591 
1 1 1  -23   11    6 o  962.527   52.448   4.3588   0.4628   4.2011   0.6437   4.5274   0.6658  933.942   75.548  969.935   75.186 -35.99280 106.5851 
1 1 1  -23   11    7 f  301.758   91.851   0.4488   0.2779   0.6709   0.4905   0.3437   0.3372  367.462  123.143  281.508  101.616 85.95364 159.6557 
1 1 1  -23   11    8 o  802.734   51.614   3.0284   0.3792   3.4150   0.6585   2.8365   0.4639  837.274   86.729  771.648   65.964 65.62537 108.9641 
1 1 1  -23   11    9 o  1078.79   53.623   5.4509   0.5323   6.8103   0.8244   4.4789   0.6971  1193.41   75.461  965.015   79.202 228.3934 109.3952 
1 1 1  -23   11   10 o  647.133   62.048   1.9876   0.3649   1.7018   0.5799   2.1750   0.4696  578.456  113.003  671.736   77.388 -93.28027 136.9619 
1 1 1  -23   11   11 o  645.654   91.440   2.0414   0.5281   1.6696   0.8656   2.2618   0.6665  554.182  160.498  670.781  111.920 -116.5990 195.6673 
1 1 1  -23   11   12 o  417.845   93.521   0.8702   0.3506   0.7241   0.5471   0.9720   0.4567  386.384  130.059  437.228  112.773 -50.84341 172.1431 
1 1 1  -23   11   13 f  949.330   50.448   4.2081   0.4391   4.0354   0.6119   4.3915   0.6305  922.333   72.691  962.788   71.677 -40.45477 102.0864 
1 1 1  -23   11   14 o  1216.19   47.776   6.8714   0.5347   6.9518   0.7471   6.7871   0.7655  1215.87   67.037  1200.33   69.601 15.53247 96.63474 
1 1 1  -23   11   15 o  1029.98   56.951   4.9557   0.5377   5.4146   0.8376   4.6340   0.7012  1066.72   86.064  989.459   77.638 77.25671 115.9085 
1 1 1  -23   11   16 o  244.378  101.059   0.0953   0.3702   0.6157   0.5629  -0.3012   0.4913  372.849  131.648  227.962  104.310 144.8871 167.9634 
1 1 1  -23   11   17 o  508.202   87.403   1.2520   0.3940   1.4052   0.5454   1.0849   0.5697  531.029  114.958  464.629  128.788 66.39972 172.6322 
1 1 1  -23   11   18 o  1553.91   49.090   11.207   0.7019   11.235   0.9967   11.180   0.9887  1548.84   69.933  1545.24   69.533 3.602539 98.61749 
1 1 1  -23   11   19 o  695.942   81.235   2.3147   0.5104   2.5297   0.6754   2.0283   0.7794  719.442  105.125  629.984  138.251 89.45728 173.6796 
1 1 1  -23   11   20 o  636.454  107.140   2.0032   0.6052   1.2309   0.8545   2.7805   0.8572  491.642  162.465  741.319  130.428 -249.6769 208.3421 
1 1 1  -23   11   21 o  452.295  108.765   1.0346   0.4471   1.4141   0.6478   0.6893   0.6179  521.329  134.228  386.420  137.767 134.9090 192.3454 
1 1 1  -23   11   22 o  252.128  107.780   0.0405   0.4437  -0.3561   0.6169   0.4656   0.6387  251.801  115.828  350.654  136.897 -98.85291 179.3232 
1 1 1  -23   11   23 o  380.550  161.272   0.3579   0.9784  -0.0590   1.3267   0.8548   1.4486  390.402  175.743  469.558  197.461 -79.15634 264.3413 
1 1 1  -23   13    1 o  578.868   54.703   1.5961   0.2879   1.6535   0.3954   1.5312   0.4201  580.519   75.825  553.950   85.151 26.56915 114.0180 
1 1 1  -23   13    2 o  499.154   63.671   1.2035   0.2858   1.0267   0.3846   1.4213   0.4270  447.505   96.259  531.328   90.593 -83.82321 132.1849 
1 1 1  -23   13    3 o  745.694   51.597   2.6266   0.3519   2.9278   0.4876   2.2993   0.5083  779.913   68.637  683.768   82.451 96.14471 107.2811 
1 1 1  -23   13    4 o  1022.77   39.232   4.8719   0.3692   4.7239   0.6080   4.9584   0.4647  993.679   66.881  1028.27   49.118 -34.59192 82.97958 
1 1 1  -23   13    5 o  963.610   42.040   4.3298   0.3728   5.0352   0.6234   3.9373   0.4651  1027.09   66.318  912.766   55.636 114.3288 86.56472 
1 1 1  -23   13    6 o  519.774   97.490   1.3640   0.4491   1.6851   0.5222   0.4509   0.8805  576.839  102.118  374.677  155.475 202.1620 186.0126 
1 1 1  -23   13    7 o  276.106  107.075   0.2744   0.3887   0.2601   0.4354   0.3305   0.8629  282.577  112.191  361.012  152.139 -78.43427 189.0320 
1 1 1  -23   13    8 o  593.236   62.678   1.6784   0.3370   1.8042   0.5837   1.6154   0.4127  594.895  110.702  575.612   80.082 19.28302 136.6317 
1 1 1  -23   13    9 o  554.833   77.866   1.4954   0.3866   1.1171   0.5655   1.8273   0.5297  461.402  128.458  605.610   98.434 -144.2081 161.8356 
1 1 1  -23   13   10 o  226.092   91.274   0.1261   0.2932  -0.5489   0.4638   0.5754   0.3784  195.410   93.144  341.809  107.724 -146.3988 142.4085 
1 1 1  -23   13   11 o  1051.71   46.600   5.1500   0.4510   5.1468   0.6405   5.1532   0.6350  1042.77   67.113  1043.70   66.469 -0.9294434 94.45802 
1 1 1  -23   13   12 o  939.344   64.462   4.1627   0.5538   3.6402   0.7142   4.9510   0.8771  867.532   90.808  1010.56   95.458 -143.0236 131.7506 
1 1 1  -23   13   13 f  993.499   50.885   4.6061   0.4636   4.3399   0.6521   4.8781   0.6592  956.523   74.685  1015.85   70.972 -59.33051 103.0288 
1 1 1  -23   13   14 o  497.092   88.212   1.2046   0.3887   1.8080   0.5917   0.7465   0.5155  603.787  110.582  392.164  125.969 211.6229 167.6206 
1 1 1  -23   13   15 o  514.888   84.791   1.2834   0.3877   1.4274   0.5768   1.1647   0.5237  532.700  120.490  481.128  118.968 51.57211 169.3262 
1 1 1  -23   13   16 o  745.019   63.274   2.6101   0.4297   2.0407   0.5869   3.2678   0.6308  646.468  102.044  827.907   83.960 -181.4384 132.1448 
1 1 1  -23   13   17 o  553.055   84.397   1.4761   0.4159   2.1258   0.6018   0.8823   0.5754  659.633  102.482  423.064  132.758 236.5686 167.7116 
1 1 1  -23   13   18 o  832.861   68.511   3.2736   0.5204   3.0692   0.6816   3.5591   0.8057  797.199   94.781  855.033  104.587 -57.83417 141.1447 
1 1 1  -23   13   19 o  1488.39   52.283   10.319   0.7160   12.235   1.0530   8.6710   0.9766  1612.36   70.973  1351.71   78.861 260.6523 106.0953 
1 1 1  -23   13   20 o  191.989   93.292  -0.8413   0.5210   0.0166   0.8531  -1.3514   0.6579  335.616  146.456  199.906   98.690 135.7099 176.6038 
1 1 1  -23   13   21 o  340.072  116.806   0.5457   0.4415   1.0348   0.6452   0.1151   0.6054  445.894  140.684  297.797  126.563 148.0970 189.2354 
1 1 1  -23   13   22 o  310.328  119.243   0.3739   0.4787   0.4820   0.6686   0.2602   0.6859  354.280  139.537  327.856  136.731 26.42368 195.3613 
1 1 1  -23   15    1 o  626.552   59.722   1.8798   0.3401   1.8826   0.3600   1.8569   1.0390  625.471   63.426  547.765  179.059 77.70593 189.9601 
1 1 1  -23   15    2 o  541.876   42.989   1.3810   0.2126   1.4012   0.3634   1.3704   0.2621  533.963   76.120  536.531   53.818 -2.568298 93.22370 
1 1 1  -23   15    3 o  260.414   76.826   0.3341   0.1967   0.6255   0.3510   0.2008   0.2375  348.998  102.539  226.439   84.661 122.5586 132.9728 
1 1 1  -23   15    4 o  695.766   47.367   2.2775   0.3014   1.9202   0.5016   2.4794   0.3772  620.661   90.490  722.537   57.194 -101.8768 107.0497 
1 1 1  -23   15    5 o  1496.81   36.794   10.416   0.5068   10.862   0.8505   10.170   0.6310  1514.85   61.017  1474.52   46.507 40.32996 76.71966 
1 1 1  -23   15    6 o  155.759   71.381  -0.1470   0.2313   0.2892   0.4427  -0.3107   0.2713  288.260  113.546  151.686   71.997 136.5740 134.4474 
1 1 1  -23   15    7 o  502.013   67.071   1.2149   0.3021   1.4091   0.5360   1.1246   0.3657  521.291  114.851  475.645   86.745 45.64581 143.9286 
1 1 1  -23   15    8 o  250.174   91.357   0.2576   0.2737   0.4644   0.4991   0.1687   0.3273  329.515  122.826  242.778   96.991 86.73676 156.5044 
1 1 1  -23   15    9 o  538.563   80.425   1.4143   0.3863   1.1938   0.5616   1.6124   0.5323  477.670  125.970  564.957  106.299 -87.28693 164.8267 
1 1 1  -23   15   10 o  1094.72   43.795   5.5743   0.4412   6.0217   0.6425   5.1752   0.6068  1130.06   62.029  1046.86   63.287 83.20020 88.61666 
1 1 1  -23   15   11 f  866.167   66.602   3.5512   0.5268   3.0533   0.5613   7.2245   1.5247  798.847   77.331  1185.79  142.593 -386.9435 162.2127 
1 1 1  -23   15   12 o  1222.73   83.264   7.1335   0.9312   6.6939   1.1418   8.0067   1.6093  1170.70  107.186  1255.13  141.828 -84.43042 177.7749 
1 1 1  -23   15   13 o  959.131   57.034   4.3070   0.5011   3.5470   0.7299   4.9846   0.6892  857.109   94.091  1026.42   73.455 -169.3071 119.3680 
1 1 1  -23   15   14 o  692.285   65.546   2.2632   0.4126   1.6782   0.5595   2.9604   0.6108  581.718  108.515  785.978   85.849 -204.2598 138.3672 
1 1 1  -23   15   15 o  525.229   83.835   1.3352   0.3915   1.0283   0.5342   1.6913   0.5756  451.181  124.576  583.200  111.315 -132.0198 167.0633 
1 1 1  -23   15   16 o  501.916   85.965   1.2253   0.3827   1.3078   0.5518   1.1487   0.5314  508.626  119.862  476.341  120.994 32.28503 170.3122 
1 1 1  -23   15   17 o  588.906   85.984   1.6785   0.4522   1.1303   0.5901   2.4586   0.7039  470.403  131.311  704.348  112.385 -233.9451 172.8384 
1 1 1  -23   15   18 o  886.618   64.570   3.7080   0.5232   3.8665   0.7367   3.5467   0.7431  895.028   90.708  854.409   96.185 40.61859 132.2101 
1 1 1  -23   15   19 o  1311.79   55.265   8.0483   0.6671   8.5968   0.9527   7.5206   0.9344  1343.26   77.405  1253.81   81.430 89.45850 112.3492 
1 1 1  -23   15   20 o  175.844   87.009  -1.1192   0.5217  -0.9392   0.7901  -1.2583   0.6947  249.432  119.615  211.662  103.886 37.77000 158.4305 
1 1 1  -23   15   21 o  322.638  119.601   0.4513   0.4720   1.2817   0.6660  -0.3867   0.6690  486.854  140.719  259.078  119.692 227.7762 184.7381 
1 1 1  -23   15   22 o  409.073  175.232   0.4927   1.1772   0.0000   0.0000   0.4927   1.1772  ?   ?   409.073  175.232 0.000000 175.2317 
1 1 1  -23   17    1 o  866.410  115.381   3.9041   0.8970   3.9126   1.1911   3.8929   1.3633  822.976  163.055  790.850  189.769 32.12585 250.1981 
1 1 1  -23   17    2 o  675.883   44.950   2.1473   0.2780   2.0378   0.4445   2.2175   0.3562  645.727   76.287  682.473   57.246 -36.74670 95.37761 
1 1 1  -23   17    3 f  507.017   48.631   1.2163   0.2241   1.6866   0.3977   0.9974   0.2713  587.692   75.263  452.870   67.132 134.8223 100.8523 
1 1 1  -23   17    4 o  707.249   44.539   2.3465   0.2884   2.2333   0.4847   2.4085   0.3588  676.015   79.436  712.971   55.115 -36.95630 96.68378 
1 1 1  -23   17    5 o  1234.60   38.756   7.0926   0.4403   7.0863   0.7327   7.0962   0.5508  1219.78   65.519  1230.94   48.630 -11.16174 81.59420 
1 1 1  -23   17    6 o  564.213   50.541   1.5027   0.2596   1.4786   0.3708   1.5259   0.3636  551.436   75.034  561.458   72.032 -10.02228 104.0129 
1 1 1  -23   17    7 o  948.438   41.541   4.1868   0.3625   4.2671   0.5133   4.1069   0.5121  950.244   58.993  931.734   60.053 18.50995 84.18166 
1 1 1  -23   17    8 o  1061.84   41.744   5.2445   0.4079   5.1381   0.5851   5.3452   0.5689  1042.83   61.242  1065.02   58.270 -22.19421 84.53414 
1 1 1  -23   17    9 o  972.508   58.246   4.4522   0.5188   5.3460   0.8386   3.8979   0.6604  1051.62   87.456  900.396   80.558 151.2241 118.9045 
1 1 1  -23   17   10 o  713.145   59.573   2.3998   0.3873   2.0582   0.5735   2.6863   0.5253  645.594   99.752  748.651   77.366 -103.0566 126.2380 
1 1 1  -23   17   11 o  474.251   85.215   1.1011   0.3582   0.7844   0.5345   1.3592   0.4826  398.249  128.305  521.608  104.190 -123.3591 165.2812 
1 1 1  -23   17   12 o  663.676   84.223   2.1236   0.5028   2.0811   0.6929   2.1708   0.7307  641.861  121.765  653.959  125.998 -12.09796 175.2199 
1 1 1  -23   17   13 o  621.728   68.387   1.8366   0.3848   2.0510   0.5497   1.6305   0.5388  648.555   94.913  572.940  106.107 75.61487 142.3629 
1 1 1  -23   17   14 o  1423.71   46.565   9.4176   0.6100   8.8632   0.8277   10.077   0.9026  1374.66   65.437  1465.09   66.949 -90.44031 93.61697 
1 1 1  -23   17   15 o  297.338  110.247   0.3515   0.4011   0.7890   0.5412  -0.1814   0.5974  400.468  129.114  265.906  118.948 134.5627 175.5532 
1 1 1  -23   17   16 o  256.430  112.436  -0.0648   0.5082  -0.0648   0.5082   0.0000   0.0000  256.430  112.436  ?   ?  0.000000 112.4362 
1 1 1  -23   17   17 o  328.434  121.402   0.4516   0.4856   0.3641   0.5125   1.2202   1.5184  317.377  122.985  518.402  208.265 -201.0252 241.8667 
1 1 1  -23   17   18 f  591.550   91.461   1.7226   0.4818   0.9966   0.6476   2.6225   0.7210  439.177  141.195  721.999  112.164 -282.8225 180.3244 
1 1 1  -23   17   19 o  233.219  103.246  -0.0844   0.4383   1.3295   0.6552  -1.2291   0.5895  497.882  138.154  187.533   92.739 310.3489 166.3942 
1 1 1  -23   17   20 o  332.436  135.117   0.3623   0.6473  -0.6899   0.9212   1.3885   0.9098  286.571  135.010  496.471  167.704 -209.8998 215.2958 
1 1 1  -23   17   21 o  393.357  143.471   0.7733   0.6748   0.6175   0.9101   0.9634   1.0056  392.266  159.911  438.850  171.652 -46.58377 234.5973 
1 1 1  -23   19    1 o  638.895  143.198   2.2553   0.8210   2.1686   1.0671   2.3812   1.2854  597.946  179.539  609.703  199.156 -11.75641 268.1371 
1 1 1  -23   19    2 o  574.764   52.055   1.5647   0.2723   3.3158   1.2062   1.4707   0.2795  748.392  177.794  556.038   55.372 192.3540 186.2164 
1 1 1  -23   19    3 o  550.219   53.287   1.4359   0.2664   2.0098   1.1722   1.4046   0.2736  573.648  190.323  543.464   55.483 30.18384 198.2450 
1 1 1  -23   19    4 o  905.969   39.046   3.8190   0.3255   3.4201   0.5389   4.0482   0.4084  844.399   69.983  928.951   47.947 -84.55194 84.83216 
1 1 1  -23   19    5 o  510.565   56.159   1.2396   0.2595   1.6610   0.4130   0.9649   0.3335  583.618   78.932  440.215   85.415 143.4027 116.3015 
1 1 1  -23   19    6 o  246.907   86.441   0.2680   0.2423   0.0345   0.3900   0.4150   0.3093  236.287  101.025  295.404   97.759 -59.11676 140.5803 
1 1 1  -23   19    7 o  669.202   52.712   2.1084   0.3220   2.7181   0.5055   1.6922   0.4176  752.653   73.947  590.550   78.819 162.1034 108.0768 
1 1 1  -23   19    8 o  280.143   92.734   0.3667   0.2783   0.3259   0.4298   0.3962   0.3653  295.254  113.092  299.029  106.001 -3.775146 155.0034 
1 1 1  -23   19    9 o  961.273   64.783   4.3689   0.5697   4.5059   0.9729   4.2975   0.7028  950.894  113.435  946.005   81.528 4.888916 139.6934 
1 1 1  -23   19   10 o  742.876   55.976   2.5952   0.3798   2.9959   0.5551   2.2425   0.5208  791.076   77.245  680.526   85.029 110.5505 114.8769 
1 1 1  -23   19   11 o  875.399   53.165   3.5897   0.4262   3.4759   0.5901   3.7138   0.6163  853.510   75.932  882.123   76.687 -28.61322 107.9192 
1 1 1  -23   19   12 o  1297.90   46.930   7.8376   0.5605   8.4334   0.8083   7.2860   0.7778  1339.23   65.596  1241.94   68.324 97.29346 94.71491 
1 1 1  -23   19   13 o  837.476   58.725   3.2994   0.4497   3.1683   0.6257   3.4395   0.6467  810.887   85.127  845.576   84.239 -34.68976 119.7614 
1 1 1  -23   19   14 o  940.960   60.074   4.1674   0.5174   4.3155   0.7023   3.9916   0.7653  948.923   81.214  906.753   93.035 42.16986 123.4963 
1 1 1  -23   19   15 o  632.291   82.170   1.9368   0.4668   1.7108   0.6111   2.2532   0.7232  578.575  118.771  664.034  122.879 -85.45941 170.8967 
1 1 1  -23   19   16 o  405.571  110.203   0.8400   0.4220   1.4328   0.6034   0.2724   0.5904  523.711  126.602  315.177  128.680 208.5334 180.5174 
1 1 1  -23   19   17 o  483.807  103.443   1.1908   0.4466   1.6560   0.6491   0.7728   0.6153  560.377  128.608  394.958  137.768 165.4193 188.4674 
1 1 1  -23   19   18 o  585.588   90.929   1.7065   0.4741   1.6304   0.6611   1.7872   0.6802  550.900  132.113  578.067  130.919 -27.16669 185.9934 
1 1 1  -23   19   19 o  263.618  110.641   0.1309   0.4533   0.2640   0.6407  -0.0025   0.6416  316.488  132.084  286.044  125.854 30.44370 182.4432 
1 1 1  -23   19   20 o  313.720  145.173  -0.3739   0.9901  -0.6007   1.2248   0.0538   1.6820  333.268  156.593  415.433  191.157 -82.16479 247.1079 
1 1 1  -23   21    1 o  334.756  149.025   0.0037   0.9256  -0.7334   1.2722   0.8327   1.3491  335.902  158.375  447.634  189.524 -111.7312 246.9854 
1 1 1  -23   21    2 o  881.906   52.758   3.6682   0.4262   0.0000   0.0000   3.6682   0.4262  ?   ?   881.906   52.758 0.000000 52.75843 
1 1 1  -23   21    3 f  482.926   49.201   1.1031   0.2156   0.8908   0.3830   1.2015   0.2608  416.687  100.958  501.822   57.522 -85.13525 116.1947 
1 1 1  -23   21    4 f  273.713   77.219   0.3697   0.2029  -0.1938   0.3624   0.6270   0.2449  197.172   89.978  355.342   77.121 -158.1698 118.5060 
1 1 1  -23   21    5 o  692.746   48.831   2.2547   0.3093   1.5473   0.5036   2.6830   0.3919  552.990  102.754  753.279   56.958 -200.2883 117.4848 
1 1 1  -23   21    6 o  492.490   64.941   1.1649   0.2871   1.3651   0.5065   1.0701   0.3485  516.208  109.989  465.127   84.549 51.08081 138.7307 
1 1 1  -23   21    7 o  563.587   63.914   1.5169   0.3256   1.8995   0.5785   1.3394   0.3939  613.874  106.252  521.918   84.946 91.95648 136.0346 
1 1 1  -23   21    8 o  174.188   78.750  -0.1288   0.2697  -0.0567   0.4451  -0.1706   0.3391  239.192  105.043  193.196   87.724 45.99530 136.8557 
1 1 1  -23   21    9 o  170.854   81.117  -0.3952   0.3448  -1.3363   0.7654  -0.1556   0.3862  223.860  109.704  210.226   94.711 13.63330 144.9312 
1 1 1  -23   21   10 o  708.443   59.289   2.3728   0.3829   2.6459   0.5804   2.1623   0.5096  737.397   87.222  666.684   85.010 70.71338 121.7961 
1 1 1  -23   21   11 o  592.972   94.157   1.7378   0.4966   1.7088   0.6527   1.7777   0.7653  573.053  127.100  576.258  144.563 -3.205200 192.4912 
1 1 1  -23   21   12 o  577.704   77.324   1.6159   0.4007   1.4602   0.5494   1.7927   0.5857  533.557  115.279  594.588  111.142 -61.03070 160.1307 
1 1 1  -23   21   13 o  671.662   72.721   2.1668   0.4423   2.7632   0.6243   1.5658   0.6267  750.403   92.357  546.879  126.970 203.5238 157.0069 
1 1 1  -23   21   14 o  334.462  108.991   0.5483   0.3851   0.7199   0.5581   0.3923   0.5319  381.827  131.318  321.844  125.130 59.98331 181.3891 
1 1 1  -23   21   15 o  645.711   76.286   2.0221   0.4445   2.0223   0.6481   2.0219   0.6108  625.459  116.912  629.569  109.405 -4.109497 160.1180 
1 1 1  -23   21   16 o  742.574   74.940   2.6714   0.5051   2.3959   0.6772   3.0166   0.7581  682.742  111.659  768.364  110.396 -85.62213 157.0194 
1 1 1  -23   21   17 o  616.823   87.659   1.8957   0.4835   1.5139   0.6531   2.3589   0.7193  524.330  134.667  667.676  121.557 -143.3461 181.4144 
1 1 1  -23   21   18 o  300.385  117.699   0.3534   0.4734   0.5933   0.6758   0.1222   0.6634  361.621  140.920  300.652  130.186 60.96912 191.8508 
1 1 1  -23   23    1 o  590.449   46.705   1.6457   0.2517   1.2532   0.3197   2.2856   0.4082  506.272   70.541  688.770   65.176 -182.4979 96.04153 
1 1 1  -23   23    2 o  1209.16   34.225   6.7956   0.3808   6.7080   0.6202   6.8487   0.4824  1190.91   56.598  1210.17   43.324 -19.26672 71.27618 
1 1 1  -23   23    3 o  305.274   77.596   0.4670   0.2184   0.6303   0.3728   0.3816   0.2696  350.474  106.321  280.517   91.182 69.95633 140.0654 
1 1 1  -23   23    4 o  605.747   50.246   1.7334   0.2775   2.5853   0.5072   1.3694   0.3316  729.110   76.757  531.411   69.473 197.6993 103.5282 
1 1 1  -23   23    5 o  543.213   60.617   1.4119   0.2978   2.1378   0.5376   1.0905   0.3577  655.602   91.615  467.212   86.396 188.3893 125.9270 
1 1 1  -23   23    6 o  405.411   79.545   0.8161   0.2861   1.1667   0.5167   0.6611   0.3437  470.359  119.221  359.815  100.128 110.5443 155.6894 
1 1 1  -23   23    7 o  196.030   84.714  -0.0073   0.2798  -0.2019   0.4829   0.0911   0.3433  230.810  104.757  231.935   96.733 -1.124344 142.5880 
1 1 1  -23   23    8 o  644.823   69.193   1.9996   0.4041   2.2052   0.6775   1.8860   0.5035  653.361  116.980  616.303   91.577 37.05780 148.5619 
1 1 1  -23   23    9 o  732.317   96.000   2.6667   0.6313   4.4467   1.5886   2.3328   0.6880  849.390  205.489  673.596  115.132 175.7940 235.5440 
1 1 1  -23   23   10 o  952.005   59.843   4.2944   0.5216   3.6177   0.7933   4.8096   0.6922  849.231  103.671  999.117   75.858 -149.8861 128.4603 
1 1 1  -23   23   11 o  980.263   79.646   4.6573   0.7122   5.3582   0.9017   3.4947   1.1612  1040.88   95.200  785.159  165.925 255.7176 191.2957 
1 1 1  -23   23   12 o  773.310   68.006   2.8699   0.4790   1.8935   0.7159   3.6612   0.6445  591.805  134.522  866.472   81.800 -274.6679 157.4399 
1 1 1  -23   23   13 o  432.214  105.842   0.9719   0.4176   0.3056   0.6497   1.4410   0.5451  323.288  133.802  522.941  116.289 -199.6531 177.2742 
1 1 1  -23   23   14 o  275.052  109.353   0.2578   0.4142   0.0731   0.6710   0.3715   0.5265  298.180  130.007  312.538  123.594 -14.35788 179.3800 
1 1 1  -23   23   15 o  594.403   89.587   1.7790   0.4748   2.2686   0.7433   1.4417   0.6170  644.786  129.779  510.360  130.794 134.4261 184.2547 
1 1 1  -23   23   16 o  667.773   82.542   2.2206   0.4964   2.0310   0.7139   2.3980   0.6907  604.336  132.068  671.057  116.052 -66.72076 175.8129 
1 1 1  -23   23   17 o  798.081   76.462   3.1392   0.5546   2.3193   0.7625   4.0607   0.8083  643.422  133.169  887.974  100.708 -244.5514 166.9616 
1 1 1  -23   25    1 o  363.538   72.335   0.6641   0.2335   0.4341   0.3057   0.9858   0.3616  293.459   97.188  434.797   93.184 -141.3387 134.6432 
1 1 1  -23   25    2 o  458.383   61.617   1.0224   0.2533   0.5570   0.3637   1.4608   0.3530  327.728  105.861  544.185   72.286 -216.4573 128.1871 
1 1 1  -23   25    3 o  706.003   49.025   2.3612   0.3165   2.4442   0.4937   2.3032   0.4124  703.676   77.534  689.408   65.812 14.26770 101.6992 
1 1 1  -23   25    4 o  367.732   81.436   0.6861   0.2683   0.8756   0.4536   0.5841   0.3327  403.060  116.030  335.656  100.137 67.40375 153.2659 
1 1 1  -23   25    5 o  568.742   61.811   1.5595   0.3183   0.9182   0.5249   1.9323   0.4002  410.408  126.485  629.758   70.262 -219.3496 144.6903 
1 1 1  -23   25    6 o  469.078   78.040   1.0944   0.3250   1.3006   0.5582   0.9886   0.3997  488.188  124.024  434.978  101.693 53.20996 160.3854 
1 1 1  -23   25    7 o  467.432   82.385   1.0950   0.3414   0.7356   0.5325   1.3458   0.4448  375.005  128.301  511.440   98.094 -136.4357 161.5036 
1 1 1  -23   25    8 o  361.197  119.963   0.6781   0.4657  -0.5001   1.3102   0.8484   0.4982  346.533  162.549  397.310  123.346 -50.77667 204.0504 
1 1 1  -23   25    9 o  477.067   88.920   1.1545   0.3760   0.5564   0.6056   1.5297   0.4796  348.891  134.099  545.170   99.266 -196.2787 166.8424 
1 1 1  -23   25   10 o  970.052   58.864   4.4907   0.5229   6.1657   0.8837   3.5879   0.6487  1114.62   86.843  850.976   83.942 263.6476 120.7809 
1 1 1  -23   25   11 o  492.780  119.438   1.3203   0.5359   1.5821   0.6793   0.8887   0.8722  527.725  138.235  411.471  160.162 116.2538 211.5679 
1 1 1  -23   25   12 o  605.274   89.495   1.8566   0.4834   1.3765   0.7974   2.1355   0.6078  479.156  156.883  637.779  107.390 -158.6233 190.1179 
1 1 1  -23   25   13 o  204.112   93.712  -0.2032   0.4012  -0.1509   0.6875  -0.2302   0.4940  273.740  124.535  225.712  103.762 48.02834 162.0969 
1 1 1  -23   25   14 o  390.879  120.545   0.8466   0.4767   0.9406   0.7551   0.7843   0.6147  406.206  151.136  378.699  137.118 27.50708 204.0670 
1 1 1  -23   25   15 o  782.850   81.866   3.0778   0.5810   2.8043   0.9596   3.2361   0.7300  675.501  157.313  783.970  103.745 -108.4688 188.4420 
1 1 1  -23   27    1 o  490.327   77.133   1.2316   0.3365   1.1812   0.4112   1.3339   0.5857  465.261   99.074  467.977  130.892 -2.715912 164.1599 
1 1 1  -23   27    2 o  545.839   73.276   1.5009   0.3587   1.7681   0.4597   1.0849   0.5736  582.132   88.624  423.405  132.508 158.7274 159.4137 
1 1 1  -23   27    3 o  260.943   93.848   0.3254   0.2873   0.4063   0.3905   0.2299   0.4244  290.306  108.551  263.369  108.489 26.93701 153.4705 
1 1 1  -23   27    4 o  175.023   79.396  -0.1101   0.2769  -0.1540   0.4031  -0.0709   0.3811  207.561   94.784  211.551   94.793 -3.990097 134.0512 
1 1 1  -23   27    5 o  422.234   82.389   0.9182   0.3086   0.8663   0.4880   0.9528   0.3984  390.331  122.223  418.312  103.959 -27.98190 160.4554 
1 1 1  -23   27    6 o  227.256   90.430   0.1764   0.2835  -0.1902   0.4505   0.4167   0.3647  216.614   99.398  291.825  105.626 -75.21146 145.0411 
1 1 1  -23   27    7 o  189.029   85.045  -0.0910   0.3102   0.0186   0.5095  -0.1556   0.3910  252.941  111.681  204.784   93.452 48.15723 145.6224 
1 1 1  -23   27    8 o  440.333  127.752   1.1234   0.5480   1.7198   1.8598   1.0667   0.5734  474.777  211.310  426.707  132.310 48.07019 249.3149 
1 1 1  -23   27    9 o  470.044   92.487   1.1602   0.3858   0.9016   0.6681   1.2895   0.4725  393.215  142.856  485.476  108.505 -92.26093 179.3915 
1 1 1  -23   27   10 o  202.091   95.374  -0.3751   0.4633  -0.4016   0.5886  -0.3319   0.7514  229.279  107.987  265.254  123.999 -35.97511 164.4293 
1 1 1  -23   27   11 o  222.071   98.520  -0.0262   0.4011   0.3047   0.6723  -0.2092   0.4998  309.692  132.536  225.467  103.916 84.22491 168.4172 
1 1 1  -23   27   12 o  370.447  116.912   0.7765   0.4456   0.6196   0.7142   0.8765   0.5701  350.327  142.097  386.220  132.732 -35.89334 194.4463 
1 1 1  -23   27   13 o  214.576  102.480  -0.5207   0.5672   0.2926   0.7574  -1.5592   0.8559  316.281  138.008  219.232  108.987 97.04919 175.8529 
1 1 1  -23   29    1 o  594.206   78.969   1.8728   0.4211   2.0529   0.5171   1.5182   0.7256  604.243   96.222  447.997  149.781 156.2461 178.0254 
1 1 1  -23   29    2 o  707.441   69.296   2.5568   0.4453   2.5955   0.5683   2.4952   0.7168  688.141   92.050  630.172  127.984 57.96826 157.6490 
1 1 1  -23   29    3 o  339.878  106.677   0.6783   0.3715   0.7242   0.4716   0.6034   0.6030  343.608  120.569  323.622  130.809 19.98648 177.8986 
1 1 1  -23   29    4 o  298.190  109.074   0.4896   0.3904   0.4740   0.5234   0.5092   0.5862  302.780  122.047  311.875  127.877 -9.094849 176.7713 
1 1 1  -23   29    5 o  387.946  104.511   0.8671   0.3815   1.0206   0.5425   0.7171   0.5364  400.462  129.287  344.174  127.521 56.28818 181.5952 
1 1 1  -23   29    6 o  497.009   87.691   1.3223   0.3864   1.4763   0.5947   1.2098   0.5083  484.504  130.478  446.347  120.807 38.15692 177.8167 
1 1 1  -23   29    7 o  565.921  118.390   1.8867   0.5967   0.3025   1.8312   2.0749   0.6311  365.299  176.895  592.672  119.849 -227.3730 213.6723 
1 1 1  -23   29    8 o  334.076  108.010   0.6392   0.3786   1.0436   0.6445   0.4262   0.4677  398.241  140.838  293.972  116.418 104.2683 182.7252 
1 1 1  -23   29    9 o  446.517  102.048   1.1208   0.4101   1.6151   0.7156   0.8790   0.5005  489.009  147.068  378.902  124.299 110.1075 192.5597 
1 1 1  -23   29   10 o  484.857  220.845   3.2204   2.1704   3.2204   2.1704   0.0000   0.0000  484.857  220.845  ?   ?  0.000000 220.8450 
1 1 1  -22    0    1 o  696.715  121.866   2.5235   0.7097   2.5235   0.7097   2.5235   0.7097  696.715  121.866  696.715  121.866 0.000000 0.000000 
1 1 1  -22    0    2 o  401.433  169.555   1.1230   0.6327   1.1230   0.6327   1.1230   0.6327  401.433  169.555  401.433  169.555 0.000000 0.000000 
1 1 1  -22    0    3 o  239.999  142.497   0.3404   0.5480   0.3404   0.5480   0.3404   0.5480  239.999  142.497  239.999  142.497 0.000000 0.000000 
1 1 1  -22    0    4 o  153.226  106.640  -0.4461   0.5366  -0.4461   0.5366  -0.4461   0.5366  153.226  106.640  153.226  106.640 0.000000 0.000000 
1 1 1  -22    0    5 o  115.664   81.549  -0.3880   0.3450  -0.3880   0.3450  -0.3880   0.3450  115.664   81.549  115.664   81.549 0.000000 0.000000 
1 1 1  -22    0    6 o  747.970   83.294   2.7289   0.5551   2.7289   0.5551   2.7289   0.5551  747.970   83.294  747.970   83.294 0.000000 0.000000 
1 1 1  -22    0    7 o  557.220  155.573   1.8224   0.6902   1.8224   0.6902   1.8224   0.6902  557.220  155.573  557.220  155.573 0.000000 0.000000 
1 1 1  -22    0    8 o  463.052  185.321   1.4945   0.7661   1.4945   0.7661   1.4945   0.7661  463.052  185.321  463.052  185.321 0.000000 0.000000 
1 1 1  -22    0    9 o  898.142  119.363   4.1081   0.9378   4.1081   0.9378   4.1081   0.9378  898.142  119.363  898.142  119.363 0.000000 0.000000 
1 1 1  -22    0   10 o  665.026  113.826   2.3042   0.6353   2.3042   0.6353   2.3042   0.6353  665.026  113.826  665.026  113.826 0.000000 0.000000 
1 1 1  -22    0   11 o  1466.08   73.446   10.210   0.9851   10.210   0.9851   10.210   0.9851  1466.08   73.446  1466.08   73.446 0.000000 0.000000 
1 1 1  -22    0   12 o  457.771  160.630   1.3609   0.6133   1.3609   0.6133   1.3609   0.6133  457.771  160.630  457.771  160.630 0.000000 0.000000 
1 1 1  -22    0   13 o  361.124  160.486   0.9469   0.5640   0.9469   0.5640   0.9469   0.5640  361.124  160.486  361.124  160.486 0.000000 0.000000 
1 1 1  -22    0   14 o  1146.95   81.053   6.3245   0.8456   6.3245   0.8456   6.3245   0.8456  1146.95   81.053  1146.95   81.053 0.000000 0.000000 
1 1 1  -22    0   15 o  396.195  167.194   1.1156   0.6153   1.1156   0.6153   1.1156   0.6153  396.195  167.194  396.195  167.194 0.000000 0.000000 
1 1 1  -22    0   16 o  759.291  111.619   2.9446   0.7305   2.9446   0.7305   2.9446   0.7305  759.291  111.619  759.291  111.619 -0.000000 0.000000 
1 1 1  -22    0   17 o  459.096  138.193   1.2556   0.5089   1.2556   0.5089   1.2556   0.5089  459.096  138.193  459.096  138.193 0.000000 0.000000 
1 1 1  -22    0   18 o  865.754   84.322   3.6315   0.6571   3.6315   0.6571   3.6315   0.6571  865.754   84.322  865.754   84.322 0.000000 0.000000 
1 1 1  -22    0   19 o  1490.61   86.702   10.603   1.1800   10.603   1.1800   10.603   1.1800  1490.61   86.702  1490.61   86.702 0.000000 0.000000 
1 1 1  -22    0   20 o  134.196   95.364  -0.6420   0.5042  -0.6420   0.5042  -0.6420   0.5042  134.196   95.364  134.196   95.364 0.000000 0.000000 
1 1 1  -22    0   21 o  226.392  136.889   0.2874   0.5240   0.2874   0.5240   0.2874   0.5240  226.392  136.889  226.392  136.889 -0.000000 0.000000 
1 1 1  -22    0   22 o  591.335  247.827   2.7997   1.3535   2.7997   1.3535   2.7997   1.3535  591.335  247.827  591.335  247.827 -0.000000 0.000000 
1 1 1  -22    0   23 o  1119.87   90.626   6.1830   0.9198   6.1830   0.9198   6.1830   0.9198  1119.87   90.626  1119.87   90.626 0.000000 0.000000 
1 1 1  -22    0   24 o  262.933  157.114   0.5283   0.6740   0.5283   0.6740   0.5283   0.6740  262.933  157.114  262.933  157.114 -0.000000 0.000000 
1 1 1  -22    0   25 o  213.778  151.980  -0.9436   1.2854  -0.9436   1.2854  -0.9436   1.2854  213.778  151.980  213.778  151.980 0.000000 0.000000 
1 1 1  -22    2    1 o  784.488   52.420   2.8921   0.3762   3.2294   0.5484   2.5922   0.5171  821.194   73.342  733.237   77.835 87.95685 106.9458 
1 1 1  -22    2    2 o  804.734   58.040   3.0528   0.4269   2.7620   0.5266   3.6102   0.7291  758.528   76.489  859.800   93.678 -101.2717 120.9388 
1 1 1  -22    2    3 o  556.030   71.405   1.4842   0.3569   1.7227   0.4523   1.0908   0.5809  594.864   85.059  458.493  131.100 136.3709 156.2766 
1 1 1  -22    2    4 o  310.148   95.245   0.4676   0.2980   1.1445   0.4236  -0.1952   0.4192  478.329   99.483  216.180   97.914 262.1496 139.5853 
1 1 1  -22    2    5 o  996.381   55.961   4.6570   0.5110   4.7449   0.6219   4.4743   0.8966  1001.28   67.899  954.756  103.724 46.52332 123.9715 
1 1 1  -22    2    6 o  1485.67   52.263   10.302   0.7145   11.132   0.8650   8.5181   1.2676  1540.41   61.023  1319.07  105.315 221.3456 121.7171 
1 1 1  -22    2    7 o  199.834   89.088  -0.1073   0.3320  -0.6280   0.3890   1.2915   0.6376  166.835   80.963  497.172  135.611 -330.3372 157.9411 
1 1 1  -22    2    8 o  331.182   99.870   0.5397   0.3296   0.0144   0.4514   1.1401   0.4826  251.195  108.077  473.116  112.494 -221.9211 155.9988 
1 1 1  -22    2    9 o  529.207   92.008   1.3818   0.4318   1.0659   0.7595   1.5327   0.5248  456.211  153.234  551.990  107.196 -95.77957 187.0069 
1 1 1  -22    2   10 o  876.689   70.056   3.6538   0.5604   2.9444   0.9371   4.0487   0.6992  750.831  140.806  916.967   83.799 -166.1364 163.8557 
1 1 1  -22    2   11 o  878.268   61.852   3.6406   0.4967   4.7765   0.7346   2.6840   0.6741  998.221   80.661  737.085  102.134 261.1359 130.1442 
1 1 1  -22    2   12 o  693.595   85.671   2.3305   0.5352   2.3346   0.9326   2.3285   0.6534  659.371  156.123  683.894  107.373 -24.52332 189.4823 
1 1 1  -22    2   13 f  436.701  115.242   0.9704   0.4698   1.1045   0.7690   0.8905   0.5935  464.806  154.151  420.934  135.149 43.87195 205.0067 
1 1 1  -22    2   14 o  648.737   80.949   2.0255   0.4727   2.6624   0.7009   1.4941   0.6402  734.259  106.878  538.123  130.613 196.1360 168.7674 
1 1 1  -22    2   15 o  860.968   67.071   3.4997   0.5272   3.4178   0.7507   3.5795   0.7405  838.316   99.241  859.950   95.174 -21.63434 137.5018 
1 1 1  -22    2   16 o  1160.40   53.180   6.2673   0.5678   7.2614   0.9559   5.7252   0.7059  1235.59   84.584  1102.39   69.949 133.1985 109.7605 
1 1 1  -22    2   17 o  829.906   65.190   3.2364   0.4938   3.0906   0.7793   3.3342   0.6384  796.159  109.249  836.786   84.041 -40.62750 137.8338 
1 1 1  -22    2   18 o  1002.78   60.786   4.6979   0.5582   3.4076   0.8184   5.8210   0.7634  838.691  108.590  1112.39   75.024 -273.6996 131.9862 
1 1 1  -22    2   19 o  826.755   69.507   3.2132   0.5239   3.2898   0.8408   3.1646   0.6697  822.313  114.206  814.348   90.930 7.965210 145.9841 
1 1 1  -22    2   20 o  678.812   79.156   2.1898   0.4851   1.9166   0.6199   2.6214   0.7792  624.610  111.978  729.867  120.215 -105.2568 164.2882 
1 1 1  -22    2   21 o  226.713   99.564  -0.0804   0.3999  -0.3357   0.5608   0.1838   0.5704  243.733  111.493  305.624  125.824 -61.89102 168.1141 
1 1 1  -22    2   22 o  374.357  149.337   0.4447   0.7749   0.4033   1.0651   0.4912   1.1293  410.567  170.737  427.327  176.600 -16.75974 245.6392 
1 1 1  -22    2   23 o  737.443   83.374   2.6130   0.5558   2.9458   0.7998   2.3022   0.7730  768.938  116.705  672.151  129.675 96.78632 174.4580 
1 1 1  -22    2   24 o  226.060  101.518  -0.1589   0.4396  -0.3258   0.6044   0.0287   0.6407  252.130  115.486  295.870  128.026 -43.73985 172.4169 
1 1 1  -22    2   25 o  1428.08  108.508   10.110   1.4152   10.315   1.9914   9.9010   2.0115  1388.23  158.753  1352.54  165.048 35.69641 229.0048 
1 1 1  -22    4    1 o  649.686   63.080   2.0100   0.3723   2.3131   0.4868   1.5828   0.5780  691.526   77.860  553.447  117.149 138.0789 140.6635 
1 1 1  -22    4    2 o  352.812   94.494   0.6252   0.3129   0.6099   0.3955   0.6509   0.5116  350.462  110.085  366.832  125.755 -16.37000 167.1319 
1 1 1  -22    4    3 o  695.381   63.501   2.2950   0.4018   2.0712   0.5116   2.6555   0.6493  651.399   87.569  733.576   98.693 -82.17700 131.9420 
1 1 1  -22    4    4 o  533.013   77.288   1.3763   0.3680   1.4267   0.4773   1.3026   0.5778  534.158  100.812  500.806  125.613 33.35217 161.0637 
1 1 1  -22    4    5 o  168.500   78.337  -0.2438   0.2934  -0.1656   0.3710  -0.3745   0.4794  204.683   92.463  215.103  100.047 -10.41962 136.2312 
1 1 1  -22    4    6 o  435.300   93.530   0.9454   0.3635   0.9463   0.4405   0.9436   0.6433  431.091  110.531  430.929  140.897 0.1623535 179.0784 
1 1 1  -22    4    7 o  396.308  107.325   0.7952   0.4010   0.5338   0.4788   1.4097   0.7342  342.505  121.356  514.694  147.456 -172.1883 190.9722 
1 1 1  -22    4    8 o  811.288   57.208   3.0985   0.4243   3.0470   0.6090   3.1471   0.5916  793.965   84.662  808.834   80.557 -14.86902 116.8638 
1 1 1  -22    4    9 o  237.624   95.346   0.1493   0.3178   0.3796   0.4486  -0.0828   0.4503  308.730  116.175  237.976  105.040 70.75342 156.6207 
1 1 1  -22    4   10 o  479.158  102.698   1.1568   0.4392   1.7907   0.7821   0.8648   0.5308  578.813  146.665  412.050  127.219 166.7631 194.1528 
1 1 1  -22    4   11 f  932.018   59.221   4.0905   0.5053   4.1027   0.7057   4.0776   0.7237  922.879   84.020  918.742   86.631 4.137268 120.6827 
1 1 1  -22    4   12 o  1526.52   50.816   10.871   0.7138   10.232   0.9785   11.597   1.0435  1470.64   72.312  1565.65   72.432 -95.00793 102.3493 
1 1 1  -22    4   13 o  661.501   78.447   2.1028   0.4682   2.3197   0.6572   1.8793   0.6672  682.973  108.173  606.587  123.728 76.38562 164.3474 
1 1 1  -22    4   14 o  1003.97   53.937   4.7160   0.4965   4.4151   0.7760   4.9245   0.6459  957.642   89.086  1020.58   69.191 -62.93286 112.7994 
1 1 1  -22    4   15 o  833.551   60.865   3.2666   0.4636   4.0125   0.7732   2.8479   0.5793  911.821   93.473  770.821   82.983 140.9995 124.9930 
1 1 1  -22    4   16 o  383.182  102.166   0.7288   0.3668   0.5553   0.6307   0.8175   0.4509  369.441  138.001  404.984  115.402 -35.54288 179.8936 
1 1 1  -22    4   17 o  545.319   94.984   1.4489   0.4593   1.7641   0.9525   1.3534   0.5243  581.816  168.321  521.571  112.543 60.24536 202.4789 
1 1 1  -22    4   18 o  913.400   81.797   3.9503   0.6802   0.0000   0.0000   3.9503   0.6802  ?   ?   913.400   81.797 0.000000 81.79680 
1 1 1  -22    4   19 o  794.037   75.819   2.9785   0.5472   2.6098   0.9213   3.1796   0.6802  719.089  144.255  815.693   92.251 -96.60400 171.2297 
1 1 1  -22    4   20 o  762.966   85.365   2.7736   0.5890   2.9055   0.8745   2.6641   0.7969  765.354  128.749  734.802  122.151 30.55176 177.4747 
1 1 1  -22    4   21 o  916.757   79.703   3.9828   0.6657   3.6969   0.9446   4.2648   0.9382  866.459  121.850  936.561  111.022 -70.10193 164.8429 
1 1 1  -22    4   22 o  398.486  122.284   0.7838   0.4913   1.5973   0.6422  -0.3632   0.7626  560.682  127.383  287.777  131.013 272.9045 182.7316 
1 1 1  -22    4   23 o  568.100   91.318   1.5789   0.4612   1.7439   0.6071   1.3536   0.7092  587.860  116.348  508.832  144.637 79.02811 185.6251 
1 1 1  -22    4   24 o  725.292   77.639   2.5292   0.5101   2.1082   0.6304   3.3276   0.8681  647.747  109.684  811.076  119.934 -163.3281 162.5262 
1 1 1  -22    4   25 o  1173.14  116.262   6.9208   1.2385   6.9856   1.6525   6.8377   1.8708  1134.97  162.900  1090.56  193.512 44.41406 252.9491 
1 1 1  -22    6    1 o  1034.53   44.382   4.9933   0.4225   5.0925   0.6000   4.8957   0.5950  1035.63   63.270  1014.97   64.035 20.65918 90.02020 
1 1 1  -22    6    2 o  231.585   87.435   0.1998   0.2546   0.5841   0.3832  -0.1040   0.3406  342.679  108.443  201.930   90.113 140.7495 140.9971 
1 1 1  -22    6    3 o  801.356   49.883   3.0126   0.3660   3.2197   0.5306   2.8246   0.5055  820.641   70.963  767.685   72.422 52.95612 101.3936 
1 1 1  -22    6    4 o  721.188   54.771   2.4506   0.3607   2.6412   0.5248   2.2798   0.4967  740.116   78.241  686.318   80.167 53.79865 112.0199 
1 1 1  -22    6    5 o  611.838   61.752   1.7785   0.3429   1.5425   0.4966   1.9937   0.4741  554.968  100.957  640.697   82.322 -85.72870 130.2656 
1 1 1  -22    6    6 o  656.354   61.877   2.0441   0.3693   1.5662   0.5127   2.5594   0.5324  558.357  103.605  727.779   80.866 -169.4219 131.4277 
1 1 1  -22    6    7 o  999.956   49.449   4.6677   0.4550   4.9999   0.6553   4.3583   0.6323  1025.44   69.860  955.942   72.416 69.50293 100.6206 
1 1 1  -22    6    8 o  1053.56   61.696   5.2396   0.5955   5.0947   0.7105   5.5817   1.0918  1032.49   75.303  1056.42  114.132 -23.93127 136.7356 
1 1 1  -22    6    9 o  566.248   81.273   1.5602   0.4113   0.9505   0.5601   2.2738   0.6060  428.945  130.372  677.037  100.300 -248.0920 164.4906 
1 1 1  -22    6   10 o  853.623   61.041   3.4421   0.4763   3.4047   0.6665   3.4811   0.6810  837.546   87.782  846.509   88.741 -8.962524 124.8225 
1 1 1  -22    6   11 o  259.417  106.110   0.1527   0.4024   0.3915   0.6625   0.0131   0.5066  344.379  137.841  264.232  114.088 80.14697 178.9304 
1 1 1  -22    6   12 o  1082.97   48.983   5.4666   0.4881   6.0710   0.8003   5.1085   0.6159  1127.94   77.580  1040.06   64.681 87.88110 101.0064 
1 1 1  -22    6   13 o  313.538   96.903   0.4767   0.3079   0.0727   0.5007   0.7222   0.3904  271.530  115.240  379.389  107.123 -107.8599 157.3388 
1 1 1  -22    6   14 o  949.795   61.882   4.2447   0.5379   3.9807   0.7625   4.5063   0.7589  907.287   92.627  968.961   86.011 -61.67389 126.4030 
1 1 1  -22    6   15 o  659.925   72.114   2.0729   0.4308   2.1111   0.7159   2.0512   0.5393  646.049  124.948  649.467   92.895 -3.418884 155.6965 
1 1 1  -22    6   16 o  238.924   99.032   0.0882   0.3566   0.3281   0.5771  -0.0601   0.4537  326.290  129.280  244.100  106.652 82.18933 167.5942 
1 1 1  -22    6   17 o  1011.60   61.026   4.7860   0.5654   4.6873   0.8770   4.8562   0.7396  988.703   97.671  1013.18   79.986 -24.48254 126.2434 
1 1 1  -22    6   18 o  747.142   82.045   2.6537   0.5548   1.3462   1.0929   3.1076   0.6439  527.254  183.621  807.305   88.110 -280.0508 203.6665 
1 1 1  -22    6   19 o  548.816   84.068   1.4477   0.4110   1.1458   0.5805   1.7513   0.5821  478.000  128.991  596.896  110.027 -118.8969 169.5425 
1 1 1  -22    6   20 o  246.520  108.017  -0.0793   0.4683   0.5716   0.7170  -0.5635   0.6185  385.759  146.473  239.437  112.110 146.3227 184.4538 
1 1 1  -22    6   21 o  1040.81   67.587   5.0912   0.6438   6.0342   0.8756   3.9816   0.9498  1126.81   85.078  900.509  117.420 226.2959 145.0020 
1 1 1  -22    6   22 o  283.214  114.563   0.2012   0.4629   0.4885   0.6920  -0.0315   0.6228  366.611  142.668  288.092  125.439 78.51941 189.9712 
1 1 1  -22    6   23 o  345.936  127.130   0.5133   0.5312   0.0068   0.7946   0.9227   0.7143  324.103  141.391  432.076  148.569 -107.9732 205.0953 
1 1 1  -22    6   24 o  1198.46   59.116   6.7477   0.6519   6.3843   0.8497   7.2681   1.0166  1153.09   80.585  1223.81   90.921 -70.72205 121.4929 
1 1 1  -22    8    1 o  448.200   70.866   0.9810   0.2825   0.9859   0.4088   0.9764   0.3909  437.141  103.279  436.378   99.559 0.7635498 143.4524 
1 1 1  -22    8    2 o  171.335   75.824  -0.0598   0.2362  -0.3168   0.3350   0.1940   0.3329  174.346   81.914  248.212   98.245 -73.86658 127.9138 
1 1 1  -22    8    3 o  1243.21   41.695   7.1983   0.4770   7.3222   0.6880   7.0836   0.6619  1245.78   60.014  1225.99   58.673 19.78625 83.92938 
1 1 1  -22    8    4 o  895.822   47.850   3.7600   0.3930   4.0721   0.5872   3.5067   0.5289  923.270   69.628  857.351   67.596 65.91919 97.04266 
1 1 1  -22    8    5 o  1280.08   43.934   7.6358   0.5175   7.6194   0.7385   7.6517   0.7253  1270.12   63.192  1273.48   61.898 -3.358154 88.45657 
1 1 1  -22    8    6 o  465.757   80.687   1.0663   0.3333   1.3154   0.4803   0.8350   0.4628  508.316  106.115  402.687  117.576 105.6285 158.3810 
1 1 1  -22    8    7 o  1005.18   51.953   4.7414   0.4789   4.4396   0.6699   5.0570   0.6849  961.746   76.320  1028.66   72.829 -66.90961 105.4932 
1 1 1  -22    8    8 o  746.691   71.454   2.6699   0.4849   2.2204   0.5449   4.3832   1.0637  672.442   90.344  922.610  128.809 -250.1689 157.3331 
1 1 1  -22    8    9 o  428.565   80.771   0.9048   0.3068   0.3245   0.4574   1.3797   0.4138  299.232  116.117  528.909   88.115 -229.6771 145.7653 
1 1 1  -22    8   10 o  803.887   53.654   3.0375   0.3946   2.8030   0.6139   3.2025   0.5151  757.859   89.778  820.024   68.907 -62.16516 113.1734 
1 1 1  -22    8   11 o  840.740   73.051   3.3750   0.5595   2.0958   0.9314   4.0974   0.6999  618.289  161.825  922.041   83.394 -303.7521 182.0495 
1 1 1  -22    8   12 o  238.491   93.775   0.1735   0.3015   0.9519   0.5416  -0.1759   0.3629  430.681  127.597  200.898   91.037 229.7828 156.7441 
1 1 1  -22    8   13 o  545.278   79.259   1.4387   0.3860   1.1988   0.5953   1.6128   0.5071  481.035  130.965  570.206  100.315 -89.17041 164.9701 
1 1 1  -22    8   14 o  589.076   74.336   1.6628   0.3940   1.2560   0.6046   1.9629   0.5194  493.459  130.975  634.727   91.572 -141.2675 159.8122 
1 1 1  -22    8   15 o  1521.92   48.376   10.766   0.6775   11.417   1.0952   10.362   0.8622  1555.44   76.517  1487.88   62.978 67.55457 99.10085 
1 1 1  -22    8   16 o  1280.07   47.980   7.6060   0.5651   8.2513   0.8188   7.0187   0.7810  1326.01   67.324  1221.80   69.761 104.2042 96.94896 
1 1 1  -22    8   17 o  1300.66   53.137   7.8596   0.6360   7.3542   0.9785   8.2292   0.8368  1245.72   85.887  1324.83   68.880 -79.11230 110.0952 
1 1 1  -22    8   18 o  855.596   60.072   3.4247   0.4699   3.8728   0.6760   3.0056   0.6537  903.874   82.181  792.521   91.313 111.3524 122.8482 
1 1 1  -22    8   19 o  1339.69   51.051   8.3310   0.6293   9.5616   0.9536   7.3814   0.8377  1426.94   72.866  1253.26   72.952 173.6815 103.1089 
1 1 1  -22    8   20 o  325.666  125.974   0.3644   0.5370   1.2547   0.6977  -0.9295   0.8411  496.837  144.156  266.142  126.455 230.6942 191.7599 
1 1 1  -22    8   21 f  327.533  113.757   0.4797   0.4193   0.6883   0.5956   0.2747   0.5904  387.378  135.522  320.535  129.479 66.84329 187.4325 
1 1 1  -22    8   22 f  242.069  105.703  -0.0484   0.4451   0.4507   0.6115  -0.6106   0.6489  347.998  134.481  241.156  113.523 106.8428 175.9904 
1 1 1  -22    8   23 o  326.664  130.822   0.3392   0.5971   0.4059   0.7853   0.2478   0.9192  364.098  148.502  366.092  155.776 -1.994049 215.2186 
1 1 1  -22    8   24 o  245.354  110.832  -0.1985   0.5330  -0.4755   0.6864   0.2220   0.8458  257.082  119.620  349.658  149.122 -92.57666 191.1709 
1 1 1  -22   10    1 o  233.562   86.560   0.2205   0.2472   0.3012   0.3532   0.1430   0.3461  272.582  102.968  240.423   98.381 32.15884 142.4119 
1 1 1  -22   10    2 o  476.118   65.877   1.0977   0.2809   1.6022   0.4197   0.6887   0.3780  569.687   82.471  365.327  106.134 204.3599 134.4094 
1 1 1  -22   10    3 o  1044.79   43.988   5.0979   0.4229   5.0698   0.6081   5.1242   0.5885  1031.39   64.401  1038.30   61.876 -6.902466 89.30872 
1 1 1  -22   10    4 o  473.521   70.822   1.0910   0.2991   1.5731   0.4383   0.6707   0.4092  563.359   87.383  362.482  111.665 200.8767 141.7916 
1 1 1  -22   10    5 o  795.638   52.573   2.9831   0.3827   2.8631   0.5467   3.0985   0.5360  768.431   78.414  802.114   73.434 -33.68335 107.4302 
1 1 1  -22   10    6 o  281.706   97.885   0.3622   0.3105   0.1744   0.4426   0.5442   0.4357  269.892  110.941  336.812  116.011 -66.92035 160.5197 
1 1 1  -22   10    7 o  530.534   63.052   1.3473   0.3018   1.4395   0.5156   1.2993   0.3722  529.966  109.357  514.438   81.330 15.52869 136.2849 
1 1 1  -22   10    8 o  345.943   87.157   0.6000   0.2773   1.1274   0.5144   0.3838   0.3293  464.803  119.577  290.032  100.802 174.7716 156.3963 
1 1 1  -22   10    9 o  1138.30   51.524   6.0628   0.5397   6.2335   0.7872   5.9115   0.7413  1141.17   75.390  1112.64   72.808 28.53040 104.8078 
1 1 1  -22   10   10 o  619.289   61.216   1.8214   0.3443   2.1625   0.5707   1.6262   0.4316  661.147   96.673  577.032   83.739 84.11511 127.8983 
1 1 1  -22   10   11 o  764.010   77.894   2.8062   0.5399   1.3339   0.8177   3.9447   0.7190  498.887  158.472  902.198   87.720 -403.3103 181.1305 
1 1 1  -22   10   12 o  560.536   73.916   1.5123   0.3719   1.0674   0.5826   1.8186   0.4833  453.770  131.746  610.065   88.685 -156.2958 158.8148 
1 1 1  -22   10   13 o  315.148   94.340   0.4855   0.2949   0.6939   0.4162   0.2752   0.4181  373.095  112.149  285.005  110.897 88.09009 157.7203 
1 1 1  -22   10   14 o  271.805   96.684   0.3139   0.3042   0.7863   0.4280  -0.1683   0.4324  395.937  112.292  223.859  100.592 172.0777 150.7591 
1 1 1  -22   10   15 o  1558.87   44.499   11.274   0.6383   10.940   0.8872   11.632   0.9190  1529.24   63.048  1576.73   63.344 -47.48389 89.37299 
1 1 1  -22   10   16 o  1036.52   56.283   5.0158   0.5348   4.7683   0.8242   5.1958   0.7028  999.066   90.643  1049.81   73.216 -50.74017 116.5193 
1 1 1  -22   10   17 o  1495.04   47.942   10.367   0.6595   10.289   0.9348   10.443   0.9307  1483.26   68.488  1494.62   67.671 -11.35413 96.28097 
1 1 1  -22   10   18 o  1205.93   52.362   6.7555   0.5810   6.4813   0.8156   7.0381   0.8280  1172.72   75.988  1223.01   73.924 -50.29102 106.0136 
1 1 1  -22   10   19 o  1676.28   52.133   13.058   0.8041   13.786   1.0924   12.197   1.1880  1715.90   69.189  1609.14   80.232 106.7528 105.9448 
1 1 1  -22   10   20 o  800.113  100.120   3.1065   0.7210   3.7089   1.0006   2.4559   1.0398  860.927  130.387  680.658  167.219 180.2692 212.0452 
1 1 1  -22   10   21 f  409.558  119.802   0.8430   0.4801   1.1063   0.6854   0.5892   0.6728  465.242  144.719  377.909  142.258 87.33340 202.9305 
1 1 1  -22   10   22 o  272.391  111.106   0.1770   0.4396  -0.3437   0.5770   0.8975   0.6788  244.050  112.174  425.032  144.856 -180.9817 183.2106 
1 1 1  -22   10   23 o  773.631  111.826   3.0157   0.7730   2.6880   1.0206   3.4567   1.1837  697.811  162.046  789.284  168.137 -91.47278 233.5146 
1 1 1  -22   12    1 o  194.345   85.734  -0.0511   0.2996   0.1763   0.3226  -1.4741   0.8071  240.455   96.213  221.948  109.522 18.50656 145.7807 
1 1 1  -22   12    2 f  720.871   63.715   2.4921   0.4183   2.1151   0.4540   4.6095   1.0760  657.834   76.425  930.912  129.086 -273.0781 150.0129 
1 1 1  -22   12    3 o  934.854   45.964   4.0917   0.3954   3.8844   0.5508   4.3121   0.5679  899.958   66.995  949.318   65.412 -49.36041 93.63271 
1 1 1  -22   12    4 o  546.678   64.062   1.4374   0.3161   1.1847   0.4447   1.6956   0.4495  479.391  103.822  584.852   86.104 -105.4613 134.8811 
1 1 1  -22   12    5 o  605.283   51.026   1.7308   0.2815   1.5711   0.4661   1.8226   0.3533  559.580   93.851  617.078   63.103 -57.49866 113.0927 
1 1 1  -22   12    6 o  241.669   84.522   0.2584   0.2317  -0.0079   0.3924   0.4010   0.2871  229.888   99.831  288.547   94.110 -58.65886 137.1968 
1 1 1  -22   12    7 o  484.006   67.156   1.1313   0.2910   0.9923   0.4906   1.2067   0.3615  435.261  119.063  494.671   82.309 -59.40973 144.7437 
1 1 1  -22   12    8 o  805.325   51.310   3.0491   0.3782   2.8343   0.6312   3.1695   0.4725  758.498   92.341  816.609   63.373 -58.11102 111.9958 
1 1 1  -22   12    9 o  783.945   61.254   2.9129   0.4384   2.4521   0.6296   3.3466   0.6107  701.711  100.361  831.932   80.797 -130.2202 128.8427 
1 1 1  -22   12   10 o  596.085   64.479   1.6949   0.3480   1.5839   0.5668   1.7621   0.4410  556.056  114.580  601.684   81.764 -45.62769 140.7625 
1 1 1  -22   12   11 f  493.253   72.137   1.1754   0.3177   0.8625   0.4346   1.5347   0.4657  410.992  111.906  556.659   94.283 -145.6675 146.3292 
1 1 1  -22   12   12 o  913.055   62.044   3.9337   0.5182   3.8312   0.6902   4.0662   0.7844  891.310   85.195  913.647   94.680 -22.33636 127.3673 
1 1 1  -22   12   13 o  585.505   67.868   1.6338   0.3589   1.1560   0.4937   2.1690   0.5225  476.994  114.035  669.028   86.931 -192.0338 143.3911 
1 1 1  -22   12   14 o  1011.56   51.561   4.7764   0.4783   4.3067   0.6652   5.2793   0.6883  952.099   76.581  1056.89   71.189 -104.7949 104.5584 
1 1 1  -22   12   15 o  437.465   99.188   0.9491   0.3901   0.0710   0.5627   1.7614   0.5412  287.758  122.147  599.059  101.827 -311.3010 159.0239 
1 1 1  -22   12   16 o  821.211   65.042   3.1709   0.4875   3.2819   0.7733   3.0976   0.6280  822.068  104.592  805.178   86.093 16.88916 135.4674 
1 1 1  -22   12   17 o  1063.06   54.193   5.2692   0.5283   5.5318   0.7540   5.0159   0.7406  1082.42   76.190  1029.55   78.769 52.86719 109.5876 
1 1 1  -22   12   18 o  295.841  107.959   0.3536   0.3821   0.8316   0.5487  -0.0968   0.5326  411.917  129.703  260.620  114.666 151.2977 173.1219 
1 1 1  -22   12   19 o  664.348   81.601   2.1148   0.4884   1.9672   0.6292   2.3384   0.7744  629.412  112.786  680.935  128.305 -51.52350 170.8301 
1 1 1  -22   12   20 o  2345.57   59.712   25.732   1.2888   27.997   1.9200   23.875   1.7386  2425.41   86.030  2241.28   84.304 184.1335 120.4506 
1 1 1  -22   12   21 o  954.925   67.446   4.3174   0.5888   5.0192   0.8769   3.7412   0.7946  1016.48   94.854  873.515  100.702 142.9612 138.3411 
1 1 1  -22   12   22 o  218.298  101.516  -0.3731   0.4932  -1.2859   0.6204   1.1948   0.8131  192.818   95.312  474.201  158.556 -281.3823 184.9978 
1 1 1  -22   12   23 o  407.418  137.293   0.8510   0.6097   1.7205   0.8883   0.0766   0.8384  551.983  163.381  332.092  145.043 219.8906 218.4739 
1 1 1  -22   14    1 o  805.366   53.180   3.0747   0.3919   2.9155   0.4192   4.1782   1.1035  781.633   58.714  868.657  143.036 -87.02399 154.6180 
1 1 1  -22   14    2 o  209.733   72.753   0.1950   0.1715   0.3364   0.3191   0.1376   0.2033  274.263   98.865  200.763   77.558 73.49983 125.6565 
1 1 1  -22   14    3 o  578.976   45.304   1.5785   0.2394   1.7040   0.4194   1.5179   0.2916  588.351   79.509  563.927   56.982 24.42432 97.81921 
1 1 1  -22   14    4 o  463.808   56.175   1.0290   0.2349   1.3449   0.4126   0.8776   0.2856  517.609   89.886  421.001   76.556 96.60715 118.0694 
1 1 1  -22   14    5 o  169.209   74.603  -0.0486   0.2265  -0.5103   0.3653   0.2398   0.2887  166.619   80.271  247.589   93.195 -80.96915 122.9983 
1 1 1  -22   14    6 o  586.016   85.742   1.6966   0.4487   2.0913   0.5103   0.3510   0.9421  650.833   87.411  370.610  157.703 280.2224 180.3078 
1 1 1  -22   14    7 o  178.676   84.309  -0.3648   0.3618  -0.2392   0.4151  -0.7621   0.7381  208.114   95.464  246.939  117.651 -38.82512 151.5094 
1 1 1  -22   14    8 o  405.442   73.678   0.8064   0.2647   1.0999   0.3867   0.5475   0.3632  467.989   93.083  332.421  105.621 135.5688 140.7845 
1 1 1  -22   14    9 o  319.756  101.617   0.5009   0.3362   0.3963   0.5158   0.5783   0.4432  320.226  123.575  345.716  117.056 -25.49008 170.2146 
1 1 1  -22   14   10 o  876.267   47.404   3.5922   0.3808   3.7026   0.5431   3.4855   0.5341  882.319   67.408  855.502   68.415 26.81702 96.04366 
1 1 1  -22   14   11 o  726.378   54.433   2.4824   0.3612   2.3976   0.5067   2.5700   0.5150  705.088   79.486  730.971   77.753 -25.88293 111.1918 
1 1 1  -22   14   12 o  636.856   77.798   1.9514   0.4464   1.8891   0.5819   2.0405   0.6960  615.155  106.670  631.803  124.142 -16.64825 163.6759 
1 1 1  -22   14   13 o  383.826   94.603   0.7336   0.3320   0.0854   0.4623   1.4236   0.4770  264.873  111.477  535.854  100.436 -270.9807 150.0481 
1 1 1  -22   14   14 o  578.654   79.656   1.6095   0.4129   2.0457   0.6537   1.3199   0.5326  640.563  115.137  511.827  115.790 128.7362 163.2903 
1 1 1  -22   14   15 o  1203.79   50.724   6.7365   0.5619   6.8346   0.8143   6.6473   0.7762  1203.48   73.892  1187.82   71.349 15.65393 102.7166 
1 1 1  -22   14   16 o  486.069   86.754   1.1502   0.3738   1.9463   0.5566   0.4962   0.5045  631.526   99.042  342.591  124.187 288.9348 158.8454 
1 1 1  -22   14   17 f  503.009   90.234   1.2356   0.4023   1.0539   0.5713   1.4143   0.5666  456.406  129.846  529.833  119.113 -73.42715 176.2041 
1 1 1  -22   14   18 o  234.438  100.198   0.0155   0.3833   0.1018   0.5042  -0.1027   0.5902  277.889  116.657  273.047  120.397 4.841888 167.6435 
1 1 1  -22   14   19 o  1138.77   57.404   6.0757   0.5996   5.4929   0.8352   6.6954   0.8613  1070.92   85.468  1186.06   79.374 -115.1395 116.6404 
1 1 1  -22   14   20 o  972.498   81.208   4.5360   0.7200   4.7274   1.0265   4.3506   1.0103  972.430  117.065  930.025  120.922 42.40491 168.3044 
1 1 1  -22   14   21 o  435.212  116.903   0.9799   0.4781   1.4416   0.6584   0.4648   0.6954  520.431  135.977  356.807  141.747 163.6247 196.4233 
1 1 1  -22   14   22 o  711.152   83.425   2.4709   0.5355   2.8695   0.7771   2.1104   0.7391  747.630  116.782  630.350  131.665 117.2803 175.9936 
1 1 1  -22   16    1 f  952.434  101.759   4.6146   0.8780   4.0135   1.1419   5.4841   1.3733  839.929  153.400  978.986  157.810 -139.0571 220.0806 
1 1 1  -22   16    2 o  325.746   68.501   0.5262   0.1988   0.2586   0.3064   0.7208   0.2613  254.146   95.932  379.556   77.432 -125.4102 123.2829 
1 1 1  -22   16    3 o  497.437   49.446   1.1734   0.2233   1.3089   0.3899   1.1073   0.2724  511.486   85.898  478.528   63.434 32.95804 106.7816 
1 1 1  -22   16    4 o  304.525   77.105   0.4646   0.2163  -0.2451   0.3938   0.7710   0.2588  200.076   92.224  394.756   73.962 -194.6805 118.2183 
1 1 1  -22   16    5 o  936.284   42.030   4.0904   0.3621   4.2586   0.6115   3.9996   0.4494  940.797   71.163  920.503   53.279 20.29352 88.89790 
1 1 1  -22   16    6 o  431.491   60.258   0.8959   0.2327   0.5269   0.3205   1.3072   0.3384  324.016   98.652  518.097   73.016 -194.0807 122.7339 
1 1 1  -22   16    7 o  944.825   39.892   4.1549   0.3468   4.1627   0.4892   4.1471   0.4917  938.537   56.917  936.592   57.335 1.945435 80.78897 
1 1 1  -22   16    8 o  479.614   65.187   1.1074   0.2802   1.6260   0.4153   0.6741   0.3797  576.923   80.426  364.049  106.547 212.8741 133.4940 
1 1 1  -22   16    9 o  1050.05   55.864   5.1894   0.5378   5.2943   0.7873   5.0977   0.7364  1047.06   82.381  1029.67   78.315 17.39490 113.6654 
1 1 1  -22   16   10 o  302.401   92.717   0.4463   0.2825   0.4906   0.4089   0.4059   0.3907  324.927  112.360  304.524  109.448 20.40286 156.8555 
1 1 1  -22   16   11 o  558.727   91.368   1.5353   0.4535   1.4201   0.4906   2.2123   1.1889  532.141  103.919  623.244  190.053 -91.10291 216.6089 
1 1 1  -22   16   12 o  331.427  128.673   0.3955   0.5619  -0.0088   0.6596   1.4646   1.0726  297.102  129.228  527.604  182.014 -230.5025 223.2238 
1 1 1  -22   16   13 o  910.356   58.741   3.8885   0.4894   4.8331   0.7674   3.2408   0.6355  1005.77   83.674  821.719   85.286 184.0479 119.4785 
1 1 1  -22   16   14 o  834.992   58.653   3.2712   0.4478   3.6855   0.6561   2.9100   0.6127  878.672   82.100  778.151   87.056 100.5208 119.6630 
1 1 1  -22   16   15 o  808.266   59.528   3.0675   0.4396   2.6248   0.5977   3.5895   0.6489  737.652   89.911  867.090   82.320 -129.4377 121.9036 
1 1 1  -22   16   16 o  405.937  101.304   0.8224   0.3772   1.1590   0.5499   0.5234   0.5183  477.072  124.099  348.215  125.935 128.8565 176.8053 
1 1 1  -22   16   17 o  337.972  111.821   0.5398   0.4047   0.4007   0.5415   0.7159   0.6092  329.673  126.785  391.619  137.057 -61.94653 186.7056 
1 1 1  -22   16   18 o  510.807   95.209   1.2917   0.4310   1.1860   0.6031   1.4021   0.6163  478.341  132.474  520.394  129.287 -42.05301 185.1063 
1 1 1  -22   16   19 o  710.714   79.958   2.4369   0.5138   3.4446   0.7439   1.5174   0.7106  837.245   98.439  533.980  142.111 303.2653 172.8752 
1 1 1  -22   16   20 o  305.940  124.769   0.2632   0.5543   0.7591   0.8574  -0.0929   0.7265  411.868  159.219  297.521  132.264 114.3468 206.9889 
1 1 1  -22   16   21 o  487.071  109.028   1.2282   0.4765   2.0368   0.7081   0.5592   0.6441  619.376  128.457  359.749  138.292 259.6275 188.7481 
1 1 1  -22   18    1 o  800.553  124.887   3.4159   0.8899   2.4403   1.1411   4.9305   1.4218  620.530  185.517  907.271  176.667 -286.7415 256.1794 
1 1 1  -22   18    2 o  407.111   66.019   0.8099   0.2388  -0.7583   0.9537   0.9149   0.2467  284.172  134.915  434.037   63.663 -149.8651 149.1809 
1 1 1  -22   18    3 o  435.526   61.020   0.9163   0.2378   2.9200   1.0757   0.8133   0.2439  704.687  168.224  407.793   67.340 296.8941 181.2016 
1 1 1  -22   18    4 o  358.354   63.549   0.6269   0.2019   0.5434   0.3167   0.6840   0.2620  327.439   97.707  369.699   79.382 -42.25958 125.8896 
1 1 1  -22   18    5 o  951.602   37.305   4.2120   0.3267   4.2417   0.4726   4.1849   0.4520  947.712   54.425  942.236   52.336 5.475708 75.50612 
1 1 1  -22   18    6 o  599.353   48.414   1.6920   0.2647   1.3759   0.3696   2.0249   0.3793  530.018   78.136  650.591   64.197 -120.5735 101.1262 
1 1 1  -22   18    7 o  601.327   51.493   1.7063   0.2822   1.3869   0.3859   2.0733   0.4136  531.511   81.505  656.945   69.481 -125.4334 107.1012 
1 1 1  -22   18    8 o  225.714   85.410   0.1867   0.2433   0.6977   0.3671  -0.2135   0.3249  370.617  103.606  182.816   84.079 187.8017 133.4301 
1 1 1  -22   18    9 o  1356.74   51.222   8.6041   0.6395   8.2448   0.9510   8.9007   0.8639  1311.77   79.160  1371.47   68.458 -59.70081 104.6555 
1 1 1  -22   18   10 o  1000.79   49.483   4.6711   0.4557   5.6328   0.7291   4.0547   0.5837  1088.08   73.252  924.149   69.146 163.9262 100.7323 
1 1 1  -22   18   11 o  270.985   98.746   0.3010   0.3195   0.5329   0.4970   0.1376   0.4172  345.423  123.517  261.211  107.578 84.21133 163.7969 
1 1 1  -22   18   12 o  1263.61   60.543   7.4789   0.7039   8.4877   0.9739   6.3754   1.0187  1335.37   79.622  1147.07   97.432 188.3013 125.8278 
1 1 1  -22   18   13 o  959.955   53.027   4.3095   0.4666   4.8995   0.6691   3.7509   0.6510  1017.03   71.959  885.840   80.752 131.1848 108.1620 
1 1 1  -22   18   14 o  798.485   60.004   3.0002   0.4377   2.9928   0.6260   3.0072   0.6121  787.688   87.861  790.548   85.511 -2.859558 122.6039 
1 1 1  -22   18   15 o  478.458   98.221   1.1392   0.4179   0.7019   0.5568   1.7035   0.6325  383.759  131.193  577.958  122.726 -194.1989 179.6482 
1 1 1  -22   18   16 o  721.898  103.204   2.5730   0.6660   2.5730   0.6660   0.0000   0.0000  721.898  103.204  ?   ?  0.000000 103.2038 
1 1 1  -22   18   17 o  194.182   93.008  -0.6081   0.4745  -0.6986   0.5158  -0.1098   1.2106  199.340   95.868  377.364  169.031 -178.0233 194.3245 
1 1 1  -22   18   18 o  311.743  113.577   0.4225   0.4227   1.5506   0.6304  -0.4991   0.5698  543.194  128.185  227.651  106.915 315.5427 166.9201 
1 1 1  -22   18   19 o  672.157   83.520   2.2115   0.5054   2.6588   0.7269   1.7929   0.7033  721.066  113.287  577.724  134.764 143.3422 176.0552 
1 1 1  -22   18   20 o  367.508  136.003   0.6428   0.6098   1.0996   0.9314   0.3000   0.8067  452.258  167.941  345.558  146.444 106.7003 222.8230 
1 1 1  -22   18   21 o  641.114  233.405   3.0478   1.7847   0.0000   0.0000   3.0478   1.7847  ?   ?   641.114  233.405 0.000000 233.4051 
1 1 1  -22   20    1 o  742.836  152.632   3.1037   1.0084   3.1583   1.4420   3.0514   1.4107  689.431  209.100  679.649  206.964 9.782288 294.2062 
1 1 1  -22   20    2 f  508.884   45.176   1.2206   0.2093   0.8347   0.3035   1.5706   0.2891  407.743   83.709  574.567   55.364 -166.8239 100.3608 
1 1 1  -22   20    3 o  501.140   45.921   1.1843   0.2094   0.9776   0.3632   1.2871   0.2563  438.946   92.820  520.190   54.346 -81.24417 107.5597 
1 1 1  -22   20    4 o  151.230   66.632  -0.0416   0.1804   0.1719   0.3515  -0.1180   0.2102  248.003   99.999  151.070   68.780 96.93381 121.3690 
1 1 1  -22   20    5 o  643.812   49.799   1.9524   0.2927   1.8648   0.5044   1.9969   0.3595  612.336   92.388  647.438   61.057 -35.10205 110.7404 
1 1 1  -22   20    6 o  751.503   50.806   2.6560   0.3493   2.6501   0.6459   2.6584   0.4152  729.573   98.756  748.367   60.819 -18.79419 115.9812 
1 1 1  -22   20    7 o  366.450   85.903   0.6714   0.2846   0.5007   0.5188   0.7449   0.3404  338.808  125.438  383.735   96.501 -44.92734 158.2627 
1 1 1  -22   20    8 o  581.574   65.538   1.6155   0.3446   1.0680   0.5633   1.9430   0.4356  452.077  129.041  634.635   76.119 -182.5584 149.8190 
1 1 1  -22   20    9 o  1037.08   64.053   5.0846   0.6083   4.6165   1.2263   5.2373   0.7005  937.269  147.028  1048.42   73.068 -111.1490 164.1835 
1 1 1  -22   20   10 o  386.074   90.357   0.7438   0.3153   1.2094   0.4795   0.3891   0.4185  488.014  109.479  305.956  112.778 182.0581 157.1769 
1 1 1  -22   20   11 o  701.979   82.515   2.3797   0.5228   2.0176   0.6876   2.8760   0.8050  627.860  123.408  754.404  119.989 -126.5432 172.1250 
1 1 1  -22   20   12 o  667.838   63.733   2.1150   0.3869   1.6717   0.5436   2.5699   0.5507  577.722  106.178  729.455   83.559 -151.7330 135.1144 
1 1 1  -22   20   13 o  225.129   95.132   0.0463   0.3389   0.0936   0.4743  -0.0029   0.4844  267.671  112.796  257.113  111.286 10.55804 158.4530 
1 1 1  -22   20   14 o  238.565  101.100   0.0515   0.3845  -0.0523   0.5464   0.1533   0.5411  265.734  116.549  290.273  121.287 -24.53909 168.2083 
1 1 1  -22   20   15 o  213.357   94.915  -0.1027   0.3748   0.0728   0.5276  -0.2815   0.5325  275.957  117.733  237.534  108.655 38.42317 160.2092 
1 1 1  -22   20   16 o  1001.34   60.764   4.7415   0.5572   4.8087   0.7836   4.6727   0.7926  994.907   86.452  979.156   88.938 15.75110 124.0323 
1 1 1  -22   20   17 o  275.293  109.761   0.2404   0.4184   0.4079   0.5895   0.0704   0.5939  331.092  130.830  287.031  123.731 44.06061 180.0717 
1 1 1  -22   20   18 o  516.068  100.179   1.3612   0.4586   1.5137   0.6444   1.2047   0.6527  527.222  132.878  467.837  140.403 59.38562 193.3122 
1 1 1  -22   20   19 o  588.136   99.319   1.7676   0.5184   2.0833   0.7528   1.4830   0.7148  614.225  136.715  511.190  145.172 103.0354 199.4140 
1 1 1  -22   20   20 o  606.195  226.685   2.7721   1.7028   0.0000   0.0000   2.7721   1.7028  ?   ?   606.195  226.685 0.000000 226.6846 
1 1 1  -22   22    1 o  456.656   54.686   0.9964   0.2252   0.9632   0.2968   1.0415   0.3459  441.659   75.748  455.676   85.633 -14.01767 114.3276 
1 1 1  -22   22    2 o  252.015   72.389   0.3123   0.1767   0.0974   0.2727   0.4680   0.2321  212.572   87.195  305.423   81.181 -92.85094 119.1355 
1 1 1  -22   22    3 f  732.003   41.506   2.5060   0.2784   2.8937   0.4886   2.3195   0.3388  776.033   69.142  700.565   52.951 75.46796 87.08830 
1 1 1  -22   22    4 o  1328.56   36.820   8.2032   0.4501   8.0561   0.7705   8.2794   0.5546  1303.30   64.251  1331.31   45.272 -28.01196 78.59876 
1 1 1  -22   22    5 o  155.455   70.614  -0.1178   0.2200   0.9450   0.4486  -0.4542   0.2524  426.391  112.655  130.618   63.794 295.7728 129.4641 
1 1 1  -22   22    6 o  528.087   64.830   1.3382   0.3084   1.4628   0.5299   1.2744   0.3793  533.156  111.588  508.268   84.032 24.88791 139.6900 
1 1 1  -22   22    7 o  179.086   79.087  -0.0601   0.2556  -0.4038   0.4643   0.0893   0.3062  206.970   96.982  221.981   91.863 -15.01096 133.5829 
1 1 1  -22   22    8 o  150.449   71.562  -0.3241   0.2708   0.2686   0.5160  -0.5494   0.3181  300.145  121.117  148.068   72.163 152.0775 140.9854 
1 1 1  -22   22    9 o  697.990   90.885   2.3924   0.5699   3.3836   1.4504   2.2115   0.6197  747.571  204.795  663.911  104.930 83.65967 230.1115 
1 1 1  -22   22   10 o  512.898   81.608   1.2883   0.3722   0.7715   0.6025   1.6074   0.4734  395.083  136.411  569.176   93.646 -174.0928 165.4621 
1 1 1  -22   22   11 o  307.331  119.359   0.3475   0.4836   0.3925   0.5868   0.2520   0.8538  330.928  130.602  354.035  150.381 -23.10706 199.1761 
1 1 1  -22   22   12 o  727.811   74.113   2.5477   0.4894   3.2835   0.7639   2.0355   0.6374  810.884  104.839  631.401  113.898 179.4834 154.8034 
1 1 1  -22   22   13 o  265.635  106.586   0.2062   0.3972   0.0831   0.5731   0.3200   0.5509  285.366  122.255  313.206  125.581 -27.83911 175.2621 
1 1 1  -22   22   14 o  292.959  109.021   0.3591   0.3929   0.5543   0.5951   0.2082   0.5231  354.472  133.719  290.909  120.207 63.56332 179.8072 
1 1 1  -22   22   15 o  635.896   78.047   1.9741   0.4471   1.9876   0.6367   1.9610   0.6279  617.782  116.279  614.093  115.356 3.689453 163.7920 
1 1 1  -22   22   16 o  771.720   68.942   2.8719   0.4844   3.2221   0.6873   2.5263   0.6828  801.971   94.989  699.831  109.630 102.1404 145.0573 
1 1 1  -22   22   17 o  717.199   79.686   2.5344   0.5170   3.0669   0.7344   2.0114   0.7279  771.065  106.340  602.494  134.682 168.5718 171.6024 
1 1 1  -22   22   18 o  373.519  119.350   0.7462   0.4633   0.6729   0.6836   0.8084   0.6299  370.417  142.456  388.709  139.044 -18.29221 199.0649 
1 1 1  -22   24    1 o  443.552   56.133   0.9460   0.2240   0.7194   0.2953   1.2528   0.3436  375.102   87.216  502.983   76.668 -127.8814 116.1232 
1 1 1  -22   24    2 o  405.082   65.952   0.8028   0.2374   0.5187   0.3224   1.1391   0.3508  319.643   99.226  477.042   82.923 -157.3983 129.3134 
1 1 1  -22   24    3 o  1082.28   39.296   5.4626   0.3913   5.1651   0.6280   5.6514   0.5004  1037.85   66.106  1096.46   49.593 -58.61072 82.64034 
1 1 1  -22   24    4 o  423.270   70.062   0.8783   0.2633   0.3530   0.4149   1.2326   0.3407  293.089  111.391  500.472   76.415 -207.3829 135.0824 
1 1 1  -22   24    5 o  611.251   74.893   1.8210   0.4124   2.0346   0.5362   1.5116   0.6453  636.710   94.387  526.535  133.115 110.1750 163.1822 
1 1 1  -22   24    6 o  513.516   65.026   1.2721   0.3004   1.4182   0.5239   1.2005   0.3666  521.195  112.534  491.265   84.129 29.93079 140.5047 
1 1 1  -22   24    7 o  583.161   64.164   1.6328   0.3386   1.7221   0.5674   1.5833   0.4220  577.065  110.889  566.242   83.496 10.82263 138.8087 
1 1 1  -22   24    8 o  300.481  116.652   0.3456   0.4618  -0.1489   1.3143   0.4153   0.4932  375.858  171.452  317.276  121.238 58.58182 209.9872 
1 1 1  -22   24    9 o  643.467   70.319   1.9991   0.4096   1.7575   0.6329   2.1732   0.5372  576.326  123.090  661.410   90.657 -85.08405 152.8721 
1 1 1  -22   24   10 o  282.925  104.866   0.3388   0.3628   0.4869   0.5810   0.2441   0.4645  340.131  131.187  283.774  114.772 56.35699 174.3062 
1 1 1  -22   24   11 o  689.281   90.497   2.3637   0.5601   3.1639   0.7334   1.2438   0.8676  790.450  103.307  470.746  163.627 319.7032 193.5096 
1 1 1  -22   24   12 o  371.147  109.718   0.7173   0.4008   1.0060   0.6553   0.5447   0.5066  429.926  142.289  340.013  124.273 89.91357 188.9177 
1 1 1  -22   24   13 o  547.406   96.039   1.5269   0.4661   1.3219   0.7364   1.6640   0.6021  480.946  150.070  557.274  120.890 -76.32770 192.7051 
1 1 1  -22   24   14 o  699.105   81.559   2.4198   0.5148   2.7607   0.8310   2.2075   0.6558  710.028  132.058  646.329  114.455 63.69885 174.7548 
1 1 1  -22   24   15 o  764.446   79.841   2.8947   0.5533   3.7660   0.9349   2.4249   0.6865  832.602  125.964  674.679  114.682 157.9227 170.3492 
1 1 1  -22   24   16 o  1026.37   71.120   5.1452   0.6675   7.4732   1.1592   3.9903   0.8165  1196.89  106.366  875.841  103.300 321.0453 148.2721 
1 1 1  -22   24   17 o  372.417  177.214  -0.3686   1.6638   0.0000   0.0000  -0.3686   1.6638  ?   ?   372.417  177.214 0.000000 177.2136 
1 1 1  -22   26    1 o  768.084   55.003   2.8292   0.3862   2.7130   0.4847   3.0313   0.6391  741.556   71.933  768.260   92.244 -26.70435 116.9757 
1 1 1  -22   26    2 o  1624.75   44.908   12.434   0.6714   11.446   0.8352   14.238   1.1287  1546.20   58.705  1708.00   71.818 -161.8075 92.75812 
1 1 1  -22   26    3 o  1037.22   52.632   5.1159   0.5007   4.3191   0.6308   6.4722   0.8230  938.282   73.660  1144.74   78.610 -206.4627 107.7280 
1 1 1  -22   26    4 o  487.814   74.159   1.1812   0.3224   1.2411   0.4791   1.1317   0.4358  480.602  110.628  461.560  104.987 19.04169 152.5149 
1 1 1  -22   26    5 o  241.086   93.007   0.2201   0.2921   0.3285   0.4703   0.1520   0.3727  293.384  116.565  245.699  101.487 47.68538 154.5547 
1 1 1  -22   26    6 o  572.890   64.957   1.5935   0.3364   1.7838   0.5600   1.4861   0.4207  581.468  108.656  541.997   87.328 39.47083 139.3996 
1 1 1  -22   26    7 o  435.228   88.456   0.9692   0.3422   0.7923   0.5254   1.0995   0.4509  383.197  127.434  453.677  109.306 -70.48029 167.8904 
1 1 1  -22   26    8 o  488.054  116.733   1.2913   0.5172   0.2996   1.3411   1.4645   0.5605  391.344  176.383  518.547  119.875 -127.2028 213.2622 
1 1 1  -22   26    9 o  451.486   92.862   1.0522   0.3729   1.4906   0.5955   0.7695   0.4783  518.627  126.026  377.837  121.330 140.7894 174.9383 
1 1 1  -22   26   10 o  264.738  111.829   0.1468   0.4680  -0.4013   0.5757   1.2150   0.8036  230.548  108.016  452.087  157.458 -221.5392 190.9459 
1 1 1  -22   26   11 f  328.009  109.550   0.5569   0.3882   0.9352   0.6448   0.3419   0.4861  406.865  141.077  296.522  118.286 110.3423 184.1040 
1 1 1  -22   26   12 o  407.246  111.493   0.9063   0.4300   0.4102   0.6934   1.2163   0.5482  330.989  137.713  463.793  125.427 -132.8033 186.2704 
1 1 1  -22   26   13 o  760.207   76.962   2.8784   0.5309   2.3279   0.8594   3.2181   0.6752  617.514  152.221  789.250   94.873 -171.7359 179.3654 
1 1 1  -22   26   14 o  269.629  111.359   0.2311   0.4486  -0.7722   0.6975   0.9392   0.5859  228.113  110.150  401.541  134.594 -173.4283 173.9212 
1 1 1  -22   26   15 o  312.069  142.564  -0.0108   0.9129   0.0000   0.0000  -0.0108   0.9129  ?   ?   312.069  142.564 0.000000 142.5636 
1 1 1  -22   28    1 o  672.360   66.184   2.2552   0.4042   1.9333   0.4914   2.9280   0.7105  601.697   91.654  721.198  110.587 -119.5006 143.6317 
1 1 1  -22   28    2 o  291.906  103.481   0.4456   0.3482   0.4239   0.4375   0.4831   0.5750  294.366  113.748  315.720  127.692 -21.35388 171.0086 
1 1 1  -22   28    3 o  468.575   89.523   1.1626   0.3719   1.2864   0.4897   0.9940   0.5717  475.213  113.549  403.723  132.862 71.49048 174.7733 
1 1 1  -22   28    4 o  556.051   84.384   1.5995   0.4182   1.6341   0.5675   1.5584   0.6187  534.793  118.436  509.967  131.121 24.82602 176.6909 
1 1 1  -22   28    5 o  206.039   90.980  -0.0184   0.3382  -0.0069   0.4659  -0.0312   0.4916  238.300  105.929  240.941  107.836 -2.641769 151.1602 
1 1 1  -22   28    6 o  295.616  102.771   0.4509   0.3423   0.5268   0.5058   0.3867   0.4649  321.930  122.835  294.382  116.225 27.54807 169.1058 
1 1 1  -22   28    7 o  243.911  106.662   0.0547   0.4546  -0.0978   1.5601   0.0689   0.4753  360.924  171.703  249.870  109.167 111.0541 203.4684 
1 1 1  -22   28    8 o  467.766   93.135   1.1619   0.3868   0.4780   0.5978   1.6543   0.5073  321.755  130.179  552.189  103.641 -230.4342 166.3970 
1 1 1  -22   28    9 o  376.465  105.591   0.7875   0.3806   0.7929   0.6259   0.7844   0.4794  369.710  137.593  369.422  121.679 0.2880554 183.6777 
1 1 1  -22   28   10 o  409.073  126.980   0.9959   0.5280   0.9502   0.6658   1.0733   0.8666  393.507  142.672  407.907  159.402 -14.40005 213.9260 
1 1 1  -22   28   11 o  327.240  114.827   0.5874   0.4278   0.4669   0.7091   0.6564   0.5363  327.302  137.921  343.146  127.438 -15.84430 187.7836 
1 1 1  -22   28   12 o  661.391   86.324   2.2752   0.5128   1.6080   0.8224   2.6998   0.6560  483.144  159.374  703.367  104.536 -220.2230 190.5987 
1 1 1  -22   28   13 o  539.429  228.487   3.4214   1.9622   3.4214   1.9622   0.0000   0.0000  539.429  228.487  ?   ?  0.000000 228.4872 
1 1 1  -22   30    1 o  395.777  108.540   0.9676   0.4071   1.3549   0.4914   0.1196   0.7271  463.585  115.593  270.816  124.998 192.7692 170.2541 
1 1 1  -22   30    2 o  236.247   99.717   0.1936   0.3716   0.3533   0.4473  -0.1624   0.6678  270.705  111.433  245.126  115.321 25.57870 160.3623 
1 1 1  -22   30    3 o  309.916  111.372   0.5699   0.4046   0.4754   0.5033   0.7426   0.6801  295.530  119.491  337.385  137.969 -41.85550 182.5194 
1 1 1  -22   30    4 o  262.978  105.899   0.3213   0.3936   0.5344   0.5188   0.0322   0.6043  307.131  122.295  255.363  116.396 51.76842 168.8315 
1 1 1  -22   30    5 o  255.972  106.037   0.2632   0.4086  -0.1174   0.5565   0.7080   0.6017  235.375  108.892  336.761  132.456 -101.3856 171.4706 
1 1 1  -22   30    6 o  493.470  136.617   1.6175   0.6415  -0.2693   1.7103   1.9264   0.6920  329.973  162.165  538.841  138.738 -208.8680 213.4150 
1 1 1  -22   30    7 o  317.986  113.922   0.5898   0.4230   0.3621   0.6242   0.7832   0.5753  294.529  126.906  351.044  131.662 -56.51505 182.8663 
1 1 1  -22   30    8 o  505.614  126.983   1.6052   0.5900   1.8934   0.6778   0.7037   1.1985  538.931  136.521  354.353  162.426 184.5776 212.1796 
1 1 1  -22   30    9 o  318.396  158.278  -0.9700   1.8043  -0.9700   1.8043   0.0000   0.0000  318.396  158.278  ?   ?  0.000000 158.2777 
1 1 1  -21    1    1 o  1608.49   45.873   12.035   0.6790   12.754   1.2051   11.700   0.8218  1637.74   79.970  1581.55   56.469 56.19067 97.89731 
1 1 1  -21    1    2 o  2128.41   52.354   21.121   1.0253   21.745   1.4665   20.525   1.4341  2145.28   74.289  2083.88   74.792 61.40894 105.4173 
1 1 1  -21    1    3 f  827.246   68.129   3.2367   0.5140   2.8368   0.7208   3.6505   0.7332  759.487  106.027  869.039   93.135 -109.5522 141.1239 
1 1 1  -21    1    4 o  302.564  100.960   0.4226   0.3297   0.2656   0.5590   0.5062   0.4082  312.366  126.058  331.198  112.337 -18.83228 168.8496 
1 1 1  -21    1    5 o  847.197   58.296   3.3680   0.4517   3.2266   0.5450   3.6781   0.8073  824.743   72.549  868.350  103.049 -43.60638 126.0257 
1 1 1  -21    1    6 o  447.082   90.429   0.9851   0.3592   1.2658   0.4451   0.4606   0.6085  505.448   99.238  349.850  134.432 155.5981 167.0938 
1 1 1  -21    1    7 o  1331.82   52.119   8.2651   0.6387   8.9913   1.1180   7.9132   0.7782  1369.97   89.171  1296.91   65.425 73.05872 110.5979 
1 1 1  -21    1    8 f  584.283   96.394   1.6791   0.5002   1.8205   0.7450   1.5631   0.6749  591.057  139.262  548.879  134.649 42.17865 193.7119 
1 1 1  -21    1    9 o  1254.47   68.625   7.4354   0.7892   7.5163   1.1209   7.3558   1.1112  1244.14   98.722  1230.56   98.973 13.58533 139.7920 
1 1 1  -21    1   10 o  2244.07   51.289   23.493   1.0591   21.569   1.7544   24.597   1.3284  2120.08   89.929  2288.07   63.097 -167.9900 109.8566 
1 1 1  -21    1   11 o  749.126   66.387   2.6631   0.4529   3.0906   0.6607   2.2841   0.6220  796.993   91.767  679.040  102.759 117.9534 137.7697 
1 1 1  -21    1   12 o  449.788  100.255   1.0163   0.4043   1.0644   0.5549   0.9619   0.5904  453.851  127.568  433.315  134.234 20.53619 185.1824 
1 1 1  -21    1   13 o  1103.83   58.938   5.7244   0.5965   5.5977   0.8097   5.8746   0.8820  1081.16   81.998  1104.76   87.483 -23.60535 119.9039 
1 1 1  -21    1   14 o  485.083   95.836   1.1675   0.4126   0.8008   0.5715   1.5668   0.5963  403.104  132.853  554.362  120.346 -151.2585 179.2569 
1 1 1  -21    1   15 o  730.842   72.193   2.5411   0.4791   2.5049   0.6929   2.5744   0.6633  710.966  109.429  724.052  102.411 -13.08643 149.8758 
1 1 1  -21    1   16 o  303.039  105.443   0.4068   0.3603   1.1423   0.6084   0.0093   0.4472  472.544  133.834  250.918  107.759 221.6258 171.8242 
1 1 1  -21    1   17 f  1220.52   53.258   6.9305   0.5981   7.3394   0.9640   6.6745   0.7627  1242.87   84.801  1191.10   69.893 51.77441 109.8916 
1 1 1  -21    1   18 o  597.448   70.959   1.6927   0.3825   2.1265   0.5579   1.3081   0.5253  663.935   93.945  512.544  114.300 151.3916 147.9533 
1 1 1  -21    1   19 o  1836.83   50.093   15.647   0.8467   14.422   1.2951   16.562   1.1189  1752.55   80.308  1884.84   64.514 -132.2932 103.0118 
1 1 1  -21    1   20 o  263.322  107.314   0.1433   0.4097   0.1162   0.5328   0.1825   0.6409  288.728  120.468  320.547  132.801 -31.81897 179.3010 
1 1 1  -21    1   21 o  208.495   92.353  -0.1023   0.3511   0.0447   0.5036  -0.2413   0.4898  271.654  115.441  233.878  105.894 37.77510 156.6536 
1 1 1  -21    1   22 o  486.789  167.702   1.1601   0.9104   0.6933   1.3426   1.5574   1.2386  470.957  193.366  554.569  195.337 -83.61221 274.8574 
1 1 1  -21    1   23 o  210.470   97.373  -0.3300   0.4451  -0.0770   0.6133  -0.6113   0.6469  280.630  123.273  241.000  113.417 39.63007 167.5099 
1 1 1  -21    1   24 o  1034.39   69.810   5.0759   0.6606   4.5927   0.9243   5.5802   0.9444  965.097  105.821  1070.23   96.947 -105.1373 143.5157 
1 1 1  -21    1   25 o  488.938  124.199   1.2494   0.5599   1.0546   0.7666   1.4721   0.8196  450.715  153.938  518.971  157.692 -68.25668 220.3718 
1 1 1  -21    3    1 o  506.374   66.137   1.2267   0.3008   1.2693   0.4315   1.1864   0.4196  505.283   96.315  487.918   96.872 17.36456 136.6045 
1 1 1  -21    3    2 o  447.848   74.010   0.9714   0.2943   0.8238   0.4154   1.1203   0.4171  403.988  109.153  473.866   98.866 -69.87790 147.2714 
1 1 1  -21    3    3 o  219.246   85.905   0.1442   0.2522   0.3488   0.3812  -0.0152   0.3364  292.931  107.681  215.123   92.924 77.80833 142.2327 
1 1 1  -21    3    4 f  1407.62   41.365   9.1902   0.5358   9.1842   0.7707   9.1957   0.7454  1401.04   59.781  1402.70   57.747 -1.661255 83.11732 
1 1 1  -21    3    5 o  428.840   77.294   0.8943   0.2938   1.4670   0.4341   0.4104   0.3990  548.265   89.111  309.024  110.653 239.2415 142.0739 
1 1 1  -21    3    6 o  459.725  106.490   1.0622   0.4416   1.0622   0.4416   0.0000   0.0000  459.725  106.490  ?   ?  0.000000 106.4904 
1 1 1  -21    3    7 o  1829.58   60.330   15.675   1.0157   15.675   1.0157   0.0000   0.0000  1829.58   60.330  ?   ?  0.000000 60.32983 
1 1 1  -21    3    8 o  1170.93   47.865   6.3817   0.5157   6.2732   0.7308   6.4894   0.7279  1151.77   69.273  1172.19   67.779 -20.41797 96.91610 
1 1 1  -21    3    9 o  1360.73   47.234   8.6190   0.5914   8.7578   0.8375   8.4810   0.8353  1363.78   66.735  1339.89   67.973 23.88318 95.25716 
1 1 1  -21    3   10 o  1724.74   53.626   13.901   0.8511   13.063   1.4177   14.372   1.0642  1643.53   94.134  1746.72   66.210 -103.1938 115.0871 
1 1 1  -21    3   11 o  1095.49   56.614   5.6337   0.5687   4.5483   0.7738   6.9092   0.8388  970.398   87.598  1204.09   76.098 -233.6954 116.0358 
1 1 1  -21    3   12 o  292.389  113.231   0.3019   0.4342   0.1957   0.6892   0.3718   0.5592  324.473  136.313  325.829  127.842 -1.356079 186.8820 
1 1 1  -21    3   13 o  727.855   83.239   2.5561   0.5475   4.2312   1.0340   1.9036   0.6453  914.603  126.229  612.063  118.870 302.5394 173.3894 
1 1 1  -21    3   14 o  650.273   67.695   2.0105   0.3991   2.3696   0.6761   1.8184   0.4945  689.725  110.241  610.252   90.826 79.47375 142.8373 
1 1 1  -21    3   15 o  1017.67   53.873   4.8439   0.5027   4.9625   0.8078   4.7689   0.6422  1016.92   87.168  1004.16   69.937 12.75726 111.7565 
1 1 1  -21    3   16 o  939.870   58.239   4.1401   0.5012   5.8392   0.8452   3.2187   0.6224  1106.76   83.615  819.993   83.663 286.7659 118.2830 
1 1 1  -21    3   17 o  918.049   60.515   3.9496   0.5083   4.5192   0.8441   3.6255   0.6367  969.556   95.875  873.382   80.123 96.17413 124.9466 
1 1 1  -21    3   18 o  897.337   63.723   3.7740   0.5227   3.5133   0.8218   3.9512   0.6775  851.409  107.275  913.048   81.494 -61.63873 134.7186 
1 1 1  -21    3   19 o  1994.81   49.748   18.453   0.9131   18.640   1.4511   18.331   1.1750  1992.93   79.130  1982.91   64.395 10.02124 102.0206 
1 1 1  -21    3   20 o  416.557  107.762   0.8590   0.4162   0.9223   0.5603   0.7811   0.6217  432.528  130.145  409.462  138.630 23.06564 190.1468 
1 1 1  -21    3   21 o  268.307  105.314   0.2155   0.3796   0.3107   0.5623   0.1358   0.5146  322.273  127.638  286.704  118.905 35.56885 174.4416 
1 1 1  -21    3   22 o  610.449  129.038   1.8871   0.7021   1.5515   0.8340   2.7038   1.3011  545.994  157.379  702.243  194.616 -156.2487 250.2870 
1 1 1  -21    3   23 o  233.508  103.039  -0.0907   0.4330   0.2668   0.5704  -0.5770   0.6653  314.204  127.145  247.779  116.100 66.42555 172.1775 
1 1 1  -21    3   24 o  473.790  110.989   1.1438   0.4754   1.3422   0.6231   0.8674   0.7355  506.402  132.266  422.715  150.343 83.68686 200.2434 
1 1 1  -21    3   25 o  811.877  117.555   3.3481   0.8526   2.4257   0.9996   5.8115   1.6336  659.378  165.117  1015.16  181.551 -355.7811 245.4062 
1 1 1  -21    5    1 o  1642.46   43.334   12.551   0.6549   13.105   0.8500   11.740   1.0275  1672.60   55.226  1573.94   70.944 98.65979 89.90491 
1 1 1  -21    5    2 o  1370.34   44.713   8.7361   0.5638   8.2501   0.7010   9.6263   0.9487  1326.93   57.413  1423.93   72.650 -97.00073 92.59742 
1 1 1  -21    5    3 f  1262.70   46.546   7.4206   0.5408   7.5053   0.6927   7.2882   0.8655  1265.31   59.494  1237.32   76.394 27.99158 96.82780 
1 1 1  -21    5    4 o  1188.18   48.030   6.5731   0.5251   7.1124   0.6863   5.8112   0.8157  1231.68   60.552  1102.61   80.961 129.0674 101.1001 
1 1 1  -21    5    5 o  288.637   98.989   0.3764   0.3170   0.3249   0.4155   0.4482   0.4904  293.847  111.524  328.943  121.913 -35.09540 165.2280 
1 1 1  -21    5    6 o  213.083   90.751   0.0203   0.3125  -0.1939   0.4052   0.3344   0.4907  212.343   96.215  309.034  120.174 -96.69096 153.9450 
1 1 1  -21    5    7 o  1318.78   45.185   8.0880   0.5483   7.8857   0.7648   8.3020   0.7865  1295.16   64.174  1328.84   64.326 -33.67859 90.86276 
1 1 1  -21    5    8 o  861.339   64.158   3.5074   0.5049   3.2690   0.5940   4.1275   0.9580  825.616   79.164  908.053  117.403 -82.43640 141.5993 
1 1 1  -21    5    9 o  953.784   52.761   4.2625   0.4613   4.0297   0.6331   4.5259   0.6734  918.590   75.572  973.740   75.748 -55.14966 106.9995 
1 1 1  -21    5   10 o  826.757   60.057   3.2250   0.4538   2.8681   0.6288   3.6127   0.6554  767.186   90.844  865.711   83.305 -98.52539 123.2572 
1 1 1  -21    5   11 o  964.385   67.429   4.4096   0.5946   4.7925   1.0085   4.2055   0.7362  979.831  113.985  932.745   86.766 47.08575 143.2509 
1 1 1  -21    5   12 o  646.271   62.133   1.9798   0.3649   2.2442   0.5739   1.8003   0.4729  676.082   94.859  607.458   87.088 68.62433 128.7728 
1 1 1  -21    5   13 o  664.519   64.855   2.0958   0.3915   2.6814   0.6675   1.7886   0.4834  737.821  100.968  604.963   89.543 132.8580 134.9536 
1 1 1  -21    5   14 o  805.678   59.550   3.0561   0.4383   3.4189   0.7106   2.8332   0.5569  838.990   93.641  768.585   79.920 70.40564 123.1087 
1 1 1  -21    5   15 o  786.977   61.251   2.9171   0.4401   3.2896   0.7175   2.6924   0.5572  822.541   96.634  748.926   82.201 73.61462 126.8664 
1 1 1  -21    5   16 o  237.482   99.528   0.0666   0.3660  -0.1712   0.7013   0.1556   0.4290  291.029  129.629  268.267  109.629 22.76239 169.7706 
1 1 1  -21    5   17 o  656.921   84.050   2.0695   0.4964   1.9295   0.9806   2.1178   0.5756  604.707  169.444  660.122   97.716 -55.41534 195.6006 
1 1 1  -21    5   18 o  728.514   93.673   2.5517   0.6134   0.0000   0.0000   2.5517   0.6134  ?   ?   728.514   93.673 0.000000 93.67304 
1 1 1  -21    5   19 o  1231.70   53.005   7.0438   0.6007   8.1805   0.8921   6.1007   0.8126  1319.84   73.755  1137.76   78.089 182.0795 107.4130 
1 1 1  -21    5   20 o  987.502   73.871   4.5928   0.6664   4.6364   0.9484   4.5503   0.9365  980.096  106.899  970.992  106.566 9.103821 150.9427 
1 1 1  -21    5   21 f  417.633  118.021   0.8676   0.4736   2.0452   0.6584  -0.3957   0.6819  642.748  115.566  268.142  122.764 374.6057 168.6016 
1 1 1  -21    5   22 o  231.006   99.759  -0.0169   0.3875  -0.2575   0.5120   0.3055   0.5927  237.237  107.749  325.241  130.312 -88.00337 169.0891 
1 1 1  -21    5   23 o  562.002   98.955   1.5619   0.4930   1.4255   0.5911   1.8738   0.8940  527.355  123.904  590.803  160.347 -63.44830 202.6406 
1 1 1  -21    5   24 f  539.260  100.793   1.4559   0.4818   1.9463   0.6540   0.8742   0.7123  616.578  119.587  421.089  148.155 195.4895 190.3965 
1 1 1  -21    5   25 o  855.150  133.582   3.8151   1.0168   2.9998   1.3272   4.9736   1.5820  707.572  196.722  924.360  192.257 -216.7877 275.0677 
1 1 1  -21    7    1 o  1092.24   41.515   5.5521   0.4172   5.5831   0.5874   5.5206   0.5927  1087.52   58.924  1080.97   59.822 6.541748 83.96823 
1 1 1  -21    7    2 o  539.775   60.905   1.3879   0.2972   1.3777   0.4222   1.3978   0.4185  527.547   90.213  532.119   88.584 -4.572021 126.4343 
1 1 1  -21    7    3 o  973.866   44.470   4.4154   0.3985   4.5171   0.5802   4.3247   0.5483  976.546   64.935  956.386   62.652 20.16016 90.23179 
1 1 1  -21    7    4 o  678.185   55.998   2.1687   0.3463   1.9998   0.4964   2.3288   0.4834  640.434   86.450  695.785   76.780 -55.35052 115.6232 
1 1 1  -21    7    5 o  705.555   54.216   2.3422   0.3493   2.0620   0.4937   2.6229   0.4942  651.486   84.338  740.281   73.528 -88.79437 111.8891 
1 1 1  -21    7    6 o  1031.73   46.629   4.9589   0.4427   5.2683   0.6392   4.6737   0.6136  1054.93   66.189  992.782   67.574 62.14282 94.58965 
1 1 1  -21    7    7 o  208.604   87.217   0.0560   0.2801  -0.2604   0.3847   0.4126   0.4085  197.893   91.194  308.834  111.781 -110.9412 144.2609 
1 1 1  -21    7    8 o  389.647  106.326   0.7699   0.3918   0.9169   0.4660   0.4150   0.7241  422.715  116.195  355.865  143.519 66.84967 184.6595 
1 1 1  -21    7    9 o  609.192   71.609   1.7812   0.3938   2.1576   0.5714   1.4410   0.5433  660.795   96.854  530.548  114.641 130.2469 150.0773 
1 1 1  -21    7   10 f  1016.83   46.967   4.8197   0.4394   5.6698   0.7218   4.3191   0.5539  1091.02   72.312  955.563   63.357 135.4576 96.14071 
1 1 1  -21    7   11 o  1307.03   60.715   8.0301   0.7302   7.5892   1.2593   8.2534   0.8963  1235.65  111.975  1316.28   74.302 -80.62573 134.3850 
1 1 1  -21    7   12 o  788.906   55.929   2.9280   0.4034   2.7854   0.6485   3.0180   0.5152  753.725   95.655  795.698   71.110 -41.97308 119.1912 
1 1 1  -21    7   13 o  1035.26   51.757   5.0024   0.4930   4.8816   0.8001   5.0764   0.6260  1006.25   87.272  1036.33   65.994 -30.08093 109.4148 
1 1 1  -21    7   14 o  620.722   70.986   1.8399   0.3982   1.7985   0.6535   1.8644   0.5021  593.181  123.739  617.881   91.040 -24.70032 153.6214 
1 1 1  -21    7   15 o  1085.78   54.002   5.4993   0.5395   4.4988   0.8126   6.2880   0.7215  965.455   92.610  1154.46   68.222 -189.0063 115.0260 
1 1 1  -21    7   16 o  433.096   92.466   0.9258   0.3573   0.5613   0.4979   1.3129   0.5131  353.278  123.883  511.656  112.073 -158.3786 167.0549 
1 1 1  -21    7   17 o  261.023  100.623   0.2251   0.3417  -0.1832   0.4807   0.6422   0.4858  237.209  106.364  369.557  122.525 -132.3484 162.2517 
1 1 1  -21    7   18 o  887.514   64.010   3.6929   0.5192   4.2477   0.8267   3.3315   0.6672  941.431   96.816  835.683   88.100 105.7479 130.9006 
1 1 1  -21    7   19 o  1245.67   51.641   7.2032   0.5919   6.5227   0.8098   7.9837   0.8673  1177.29   75.146  1303.87   72.579 -126.5840 104.4733 
1 1 1  -21    7   20 o  897.215   78.434   3.8110   0.6410   3.9867   0.9273   3.6501   0.8871  904.218  113.986  864.533  114.321 39.68494 161.4376 
1 1 1  -21    7   21 o  741.179   79.525   2.6172   0.5339   2.8126   0.7214   2.3805   0.7939  758.967  106.202  687.406  130.279 71.56055 168.0815 
1 1 1  -21    7   22 o  350.245  129.960   0.5068   0.5575   2.1975   1.2209   0.0614   0.6267  630.527  192.658  299.278  128.018 331.2492 231.3125 
1 1 1  -21    7   23 o  408.444  138.584   0.8198   0.6213   2.2146   0.8744  -0.6021   0.8829  645.021  150.139  291.155  135.537 353.8656 202.2673 
1 1 1  -21    7   24 f  212.485   96.495  -0.1963   0.4104  -0.1303   0.5298  -0.2953   0.6490  252.017  112.431  263.833  120.402 -11.81644 164.7342 
1 1 1  -21    9    1 o  490.361   61.149   1.1536   0.2699   0.6787   0.3764   1.6561   0.3872  363.885  105.975  584.028   73.698 -220.1432 129.0815 
1 1 1  -21    9    2 o  486.293   61.734   1.1339   0.2700   1.0908   0.3877   1.1746   0.3762  465.304   93.801  485.852   87.369 -20.54797 128.1872 
1 1 1  -21    9    3 o  550.371   58.841   1.4417   0.2934   1.4384   0.4171   1.4450   0.4127  539.546   86.962  541.302   85.722 -1.756226 122.1090 
1 1 1  -21    9    4 o  590.298   58.433   1.6544   0.3132   1.9738   0.4650   1.3891   0.4238  636.718   81.211  529.062   90.298 107.6558 121.4453 
1 1 1  -21    9    5 o  1053.32   45.802   5.1746   0.4439   4.4104   0.6136   6.0140   0.6431  961.599   69.819  1127.54   62.223 -165.9424 93.52226 
1 1 1  -21    9    6 o  357.827   88.811   0.6422   0.2910   0.9900   0.4199   0.3206   0.4038  440.322  105.095  288.605  109.837 151.7166 152.0169 
1 1 1  -21    9    7 o  414.028   88.105   0.8560   0.3253   0.5339   0.4366   1.2580   0.4878  336.115  116.121  495.563  109.863 -159.4486 159.8558 
1 1 1  -21    9    8 o  188.736   80.658   0.0093   0.2484   0.4220   0.4209  -0.2112   0.3076  311.339  113.347  177.126   81.595 134.2134 139.6614 
1 1 1  -21    9    9 o  483.171   79.669   1.1430   0.3419   1.0402   0.5194   1.2216   0.4541  446.784  122.626  490.739  103.796 -43.95514 160.6574 
1 1 1  -21    9   10 o  295.914   93.224   0.4239   0.2834   0.0628   0.4747   0.6238   0.3533  262.282  111.786  352.381  102.672 -90.09940 151.7815 
1 1 1  -21    9   11 o  942.749   70.544   4.2326   0.6075   4.2429   1.0835   4.2278   0.7337  906.122  133.989  934.481   86.303 -28.35938 159.3775 
1 1 1  -21    9   12 o  1023.05   52.008   4.9020   0.4880   3.9604   0.7525   5.5854   0.6410  902.202   91.927  1087.20   64.365 -185.0017 112.2204 
1 1 1  -21    9   13 o  745.385   55.580   2.6129   0.3785   2.9489   0.5353   2.2770   0.5352  785.403   74.980  684.788   86.887 100.6149 114.7666 
1 1 1  -21    9   14 o  431.527   87.543   0.9193   0.3357   0.3342   0.4509   1.6476   0.5030  301.994  115.794  577.483   98.172 -275.4888 151.8088 
1 1 1  -21    9   15 o  355.593   97.243   0.6273   0.3273   0.6941   0.4537   0.5547   0.4727  375.930  117.879  348.179  120.793 27.75058 168.7792 
1 1 1  -21    9   16 o  1023.51   53.641   4.8899   0.5034   4.9440   0.7016   4.8324   0.7228  1022.21   75.117  1009.30   78.442 12.90778 108.6084 
1 1 1  -21    9   17 o  689.013   77.236   2.2578   0.4813   2.2050   0.7169   2.3011   0.6493  665.631  121.520  686.117  106.286 -20.48627 161.4429 
1 1 1  -21    9   18 o  1515.22   47.802   10.647   0.6665   10.514   0.9524   10.775   0.9330  1499.27   69.035  1518.61   66.769 -19.33533 96.04102 
1 1 1  -21    9   19 o  673.878   72.113   2.1507   0.4402   2.5892   0.6265   1.7230   0.6187  732.958   95.134  588.136  118.423 144.8217 151.9025 
1 1 1  -21    9   20 o  938.313   82.494   4.1852   0.7050   5.0151   0.9589   3.2085   1.0402  1018.72  103.739  792.530  148.081 226.1910 180.8028 
1 1 1  -21    9   21 o  618.067   87.637   1.8477   0.4845   1.0629   0.6484   2.8396   0.7289  458.106  140.467  760.726  107.099 -302.6201 176.6389 
1 1 1  -21    9   22 o  598.633   92.722   1.7544   0.4942   1.0650   0.6930   2.4683   0.7051  456.386  145.986  703.234  112.780 -246.8478 184.4752 
1 1 1  -21    9   23 o  356.343  135.130   0.5289   0.6098   0.1287   0.7498   1.3101   1.0477  326.180  139.790  498.644  179.221 -172.4638 227.2916 
1 1 1  -21    9   24 o  439.617  116.288   1.0049   0.4777   0.9324   0.6282   1.1042   0.7354  423.635  139.270  455.613  150.732 -31.97763 205.2230 
1 1 1  -21   11    1 o  462.789   60.448   1.0314   0.2513   0.8642   0.3595   1.1912   0.3514  409.893   96.844  490.017   80.737 -80.12433 126.0839 
1 1 1  -21   11    2 o  784.898   45.735   2.8918   0.3289   2.4206   0.4617   3.3773   0.4686  707.451   71.920  842.204   60.881 -134.7527 94.22815 
1 1 1  -21   11    3 o  604.049   54.909   1.7312   0.3019   2.1989   0.4543   1.3615   0.4039  673.325   74.580  523.027   86.981 150.2977 114.5771 
1 1 1  -21   11    4 o  677.586   54.118   2.1717   0.3346   2.2964   0.4881   2.0611   0.4596  686.839   78.648  650.428   78.367 36.41119 111.0271 
1 1 1  -21   11    5 o  547.342   54.395   1.4211   0.2703   1.1390   0.4314   1.6035   0.3469  471.962  102.293  577.645   66.471 -105.6828 121.9925 
1 1 1  -21   11    6 o  979.820   41.594   4.4719   0.3750   5.2892   0.6544   4.0722   0.4576  1052.95   67.906  929.769   53.715 123.1802 86.58211 
1 1 1  -21   11    7 o  310.809   86.609   0.4823   0.2569   0.4335   0.4412   0.5074   0.3161  315.141  115.846  319.592   98.089 -4.451263 151.7954 
1 1 1  -21   11    8 o  233.238   88.064   0.2034   0.2583   0.6453   0.4409  -0.0275   0.3187  359.315  116.601  205.837   89.675 153.4780 147.0960 
1 1 1  -21   11    9 o  1274.84   48.605   7.5947   0.5702   7.4053   0.8036   7.7867   0.8091  1246.56   70.349  1279.19   68.990 -32.63098 98.53212 
1 1 1  -21   11   10 o  862.264   51.587   3.4906   0.4074   2.8572   0.6400   3.9223   0.5283  762.505   93.148  909.624   63.519 -147.1198 112.7440 
1 1 1  -21   11   11 o  191.474   83.069  -0.0218   0.2712  -0.3305   0.3774   0.3074   0.3898  188.003   87.885  284.108  107.968 -96.10463 139.2157 
1 1 1  -21   11   12 o  1072.69   64.404   5.4393   0.6328   4.9566   0.7608   6.5218   1.1395  1015.35   82.138  1147.45  109.242 -132.1043 136.6768 
1 1 1  -21   11   13 o  935.814   49.408   4.0937   0.4240   4.2753   0.5951   3.9064   0.6042  949.609   68.562  905.654   73.120 43.95526 100.2361 
1 1 1  -21   11   14 o  593.461   67.779   1.6775   0.3635   1.0536   0.4882   2.4534   0.5445  454.936  116.210  713.115   84.625 -258.1797 143.7573 
1 1 1  -21   11   15 o  275.160   99.671   0.3109   0.3249   0.4694   0.4630   0.1572   0.4559  330.540  119.099  274.603  112.707 55.93701 163.9737 
1 1 1  -21   11   16 o  768.807   65.895   2.7852   0.4617   2.4764   0.7298   2.9913   0.5961  707.235  116.173  791.613   83.072 -84.37799 142.8180 
1 1 1  -21   11   17 o  759.723   65.940   2.7175   0.4564   2.4653   0.6513   2.9608   0.6397  711.926  102.364  785.828   90.101 -73.90253 136.3692 
1 1 1  -21   11   18 o  863.913   61.331   3.4982   0.4844   3.4726   0.7169   3.5196   0.6570  850.720   93.104  859.709   84.133 -8.988708 125.4859 
1 1 1  -21   11   19 o  882.945   66.773   3.6682   0.5385   3.4500   0.7004   3.9837   0.8421  848.006   91.194  907.138  102.694 -59.13129 137.3404 
1 1 1  -21   11   20 o  812.075   97.839   3.1968   0.7164   2.3357   0.9140   4.5682   1.1535  669.099  151.926  952.786  135.374 -283.6865 203.4883 
1 1 1  -21   11   21 o  203.191   94.311  -0.3314   0.4225  -0.8295   0.6127   0.1203   0.5835  217.215  104.469  296.621  125.059 -79.40550 162.9524 
1 1 1  -21   11   22 o  405.429  121.146   0.8370   0.4867   1.1153   0.6682   0.5225   0.7103  461.941  142.762  368.990  144.280 92.95084 202.9722 
1 1 1  -21   11   23 o  535.078  131.838   1.5206   0.6449   1.8445   0.8872   1.1577   0.9390  574.455  161.251  469.686  169.562 104.7689 233.9939 
1 1 1  -21   13    1 f  293.128   93.253   0.4269   0.2830   0.2455   0.2975   2.1552   0.9183  249.316   94.429  603.384  161.993 -354.0680 187.5057 
1 1 1  -21   13    2 o  561.127  119.589   1.6769   0.5986   1.9071   0.8246   1.4204   0.8704  575.878  153.007  493.239  164.015 82.63876 224.3035 
1 1 1  -21   13    3 o  298.361   73.291   0.4444   0.1998   0.8621   0.3598   0.2584   0.2402  409.319   97.019  242.247   85.939 167.0715 129.6081 
1 1 1  -21   13    4 o  394.365   65.509   0.7583   0.2294   0.2255   0.3845   1.0525   0.2858  264.355  105.283  464.887   68.894 -200.5323 125.8207 
1 1 1  -21   13    5 o  734.081   45.351   2.5288   0.3048   2.6096   0.5070   2.4831   0.3815  732.990   76.291  722.986   57.827 10.00446 95.73019 
1 1 1  -21   13    6 o  205.640   81.895   0.1191   0.2327   0.0343   0.3979   0.1631   0.2868  237.128  101.734  230.409   91.189 6.719452 136.6208 
1 1 1  -21   13    7 o  180.194   78.484  -0.0256   0.2440  -0.0587   0.4437  -0.0113   0.2921  236.921  104.434  199.430   86.369 37.49068 135.5214 
1 1 1  -21   13    8 o  238.587   84.321   0.2470   0.2310   0.6094   0.3573  -0.0132   0.3028  347.271  103.799  202.825   87.889 144.4460 136.0100 
1 1 1  -21   13    9 o  902.227   56.393   3.8400   0.4658   3.8146   0.6766   3.8628   0.6423  886.165   83.980  894.558   78.834 -8.393188 115.1842 
1 1 1  -21   13   10 o  609.686   56.076   1.7589   0.3111   1.7278   0.4329   1.7921   0.4473  595.469   81.112  606.122   82.333 -10.65363 115.5767 
1 1 1  -21   13   11 o  240.254   91.173   0.2108   0.2777  -0.0126   0.3846   0.4542   0.4014  228.544   99.043  315.964  111.211 -87.42032 148.9207 
1 1 1  -21   13   12 o  712.734   73.229   2.4324   0.4734   2.5418   0.6373   2.2978   0.7072  717.541   99.180  672.114  118.684 45.42621 154.6690 
1 1 1  -21   13   13 o  945.119   50.218   4.1761   0.4352   3.7248   0.6011   4.6732   0.6308  883.901   74.600  992.912   69.483 -109.0112 101.9462 
1 1 1  -21   13   14 o  483.791   81.559   1.1385   0.3502   1.3064   0.5075   0.9859   0.4838  509.101  111.421  440.720  117.248 68.38141 161.7456 
1 1 1  -21   13   15 o  555.734   85.412   1.4953   0.4228   2.2215   0.6848   1.0480   0.5375  668.189  115.552  454.806  124.701 213.3832 170.0073 
1 1 1  -21   13   16 o  985.175   59.279   4.5433   0.5349   5.8111   0.8634   3.7537   0.6814  1104.88   85.588  887.101   84.496 217.7794 120.2697 
1 1 1  -21   13   17 f  376.537  102.738   0.7015   0.3659   1.1930   0.5086   0.1742   0.5267  487.599  115.181  294.034  120.965 193.5651 167.0309 
1 1 1  -21   13   18 f  642.003   72.818   1.9600   0.4226   2.7407   0.6347   1.3385   0.5663  753.465   93.563  514.673  121.524 238.7914 153.3691 
1 1 1  -21   13   19 o  687.612   78.329   2.2597   0.4868   1.9747   0.6256   2.6972   0.7749  630.143  111.991  735.914  118.454 -105.7709 163.0128 
1 1 1  -21   13   20 o  321.488  123.938   0.3772   0.5184   0.5261   0.7580   0.2465   0.7106  378.741  148.769  336.135  139.592 42.60544 204.0051 
1 1 1  -21   13   21 o  817.568   72.713   3.1903   0.5413   3.2540   0.7710   3.1284   0.7602  809.974  105.989  793.545  106.819 16.42889 150.4792 
1 1 1  -21   13   22 o  381.731  119.793   0.7411   0.4685   0.6592   0.6620   0.8232   0.6630  380.038  141.497  406.503  142.937 -26.46463 201.1280 
1 1 1  -21   13   23 o  316.170  131.198   0.2614   0.6270   0.1206   0.8097   0.4722   0.9908  330.088  143.377  388.685  163.373 -58.59683 217.3653 
1 1 1  -21   15    1 o  702.156  109.032   2.5636   0.6816   3.5449   0.9566   1.5515   0.9715  806.074  133.647  504.377  173.267 301.6965 218.8222 
1 1 1  -21   15    2 o  568.268   45.203   1.5227   0.2344   1.6689   0.3464   1.3992   0.3184  587.716   65.150  537.351   65.766 50.36536 92.57217 
1 1 1  -21   15    3 o  543.175   45.621   1.3917   0.2259   1.4537   0.3935   1.3612   0.2759  541.433   81.516  533.487   57.089 7.946655 99.51883 
1 1 1  -21   15    4 o  734.436   42.221   2.5274   0.2841   2.2159   0.4652   2.7128   0.3588  673.745   76.384  757.589   51.787 -83.84363 92.28448 
1 1 1  -21   15    5 o  822.295   44.510   3.1703   0.3355   3.3890   0.5511   3.0416   0.4229  837.801   72.198  800.241   57.826 37.56000 92.50076 
1 1 1  -21   15    6 o  226.074   90.560   0.1442   0.2862   0.1057   0.3007   0.5138   0.9315  222.391   91.437  384.449  159.754 -162.0577 184.0706 
1 1 1  -21   15    7 o  931.528   52.255   4.0866   0.4461   4.4057   0.4874   2.4414   1.1069  966.099   55.060  640.639  180.206 325.4599 188.4302 
1 1 1  -21   15    8 o  830.939   44.736   3.2316   0.3408   3.2251   0.4833   3.2379   0.4806  822.731   64.353  824.596   63.840 -1.865356 90.64719 
1 1 1  -21   15    9 o  725.443   63.818   2.5064   0.4217   1.8701   0.5895   3.1732   0.6034  605.666  109.814  808.308   82.276 -202.6418 137.2174 
1 1 1  -21   15   10 o  520.916   65.426   1.3014   0.3067   1.2051   0.4437   1.3896   0.4244  487.647  102.151  529.418   90.361 -41.77042 136.3815 
1 1 1  -21   15   11 o  385.027   84.900   0.7373   0.2927   0.7768   0.4229   0.7011   0.4056  390.573  111.913  372.552  110.421 18.02109 157.2177 
1 1 1  -21   15   12 o  539.802   89.045   1.4313   0.4269   1.6605   0.5640   1.1241   0.6531  573.350  110.920  464.144  140.706 109.2063 179.1691 
1 1 1  -21   15   13 o  325.846   99.438   0.5180   0.3254   0.5509   0.4643   0.4862   0.4561  345.634  119.729  331.722  118.350 13.91147 168.3499 
1 1 1  -21   15   14 o  418.904  100.089   0.8756   0.3805   1.2456   0.5938   0.6178   0.4957  492.978  129.299  363.453  123.785 129.5245 179.0006 
1 1 1  -21   15   15 o  587.162   73.521   1.6460   0.3885   1.6646   0.5376   1.6257   0.5621  580.411  104.507  571.149  110.949 9.262512 152.4189 
1 1 1  -21   15   16 o  816.929   61.042   3.1350   0.4555   3.2079   0.6451   3.0625   0.6433  817.933   87.055  798.218   89.110 19.71582 124.5758 
1 1 1  -21   15   17 o  1257.71   52.874   7.3657   0.6119   7.7539   0.8694   6.9846   0.8614  1281.11   74.064  1214.17   77.509 66.93945 107.2063 
1 1 1  -21   15   18 o  1111.76   59.528   5.7953   0.6068   5.8053   0.7877   5.7808   0.9515  1105.39   77.941  1094.52   95.432 10.86963 123.2153 
1 1 1  -21   15   19 o  876.197   66.932   3.6331   0.5356   4.7322   0.7909   2.7023   0.7278  991.376   87.600  736.872  110.767 254.5045 141.2195 
1 1 1  -21   15   20 f  255.281  112.627  -0.0794   0.5172   0.0973   0.7587  -0.2327   0.7068  324.664  139.902  282.778  127.694 41.88519 189.4155 
1 1 1  -21   15   21 o  314.119  116.843   0.4187   0.4512   0.9451   0.6437  -0.0901   0.6327  426.088  141.016  278.553  123.651 147.5349 187.5501 
1 1 1  -21   15   22 o  272.897  114.376   0.1440   0.4834   0.3691   0.6818  -0.0834   0.6854  337.643  138.115  287.743  128.158 49.90063 188.4145 
1 1 1  -21   17    1 o  506.093  146.191   1.4750   0.7190   1.1169   0.9455   1.9657   1.1070  445.249  168.409  553.149  184.999 -107.9004 250.1724 
1 1 1  -21   17    2 o  712.049   50.987   2.4008   0.3319   3.2436   1.1730   2.3275   0.3460  728.826  176.729  699.770   54.155 29.05597 184.8399 
1 1 1  -21   17    3 o  429.228   61.428   0.8922   0.2357   0.6846   0.9529   0.9057   0.2433  398.715  163.209  431.975   63.056 -33.25998 174.9663 
1 1 1  -21   17    4 o  558.720   43.635   1.4684   0.2226   1.5680   0.3341   1.3889   0.2984  570.212   64.821  537.547   61.437 32.66534 89.30946 
1 1 1  -21   17    5 o  1598.45   31.152   11.850   0.4582   11.694   0.6390   12.017   0.6574  1581.58   43.909  1602.90   44.569 -21.31567 62.56490 
1 1 1  -21   17    6 o  698.950   43.360   2.2897   0.2775   2.3889   0.3982   2.1960   0.3869  707.439   61.795  677.690   62.756 29.74957 88.07354 
1 1 1  -21   17    7 o  457.391   61.300   1.0059   0.2515   0.8589   0.3608   1.1449   0.3508  410.094   97.111  480.890   82.229 -70.79559 127.2481 
1 1 1  -21   17    8 o  432.483   67.450   0.9076   0.2597   1.1033   0.3797   0.7356   0.3559  468.958   91.271  379.423  100.387 89.53476 135.6755 
1 1 1  -21   17    9 o  906.124   57.355   3.8761   0.4757   4.0380   0.7212   3.7514   0.6330  910.166   87.177  881.511   78.876 28.65454 117.5635 
1 1 1  -21   17   10 o  606.936   63.641   1.7552   0.3501   1.7247   0.5244   1.7798   0.4703  587.128  100.697  602.378   87.401 -15.25037 133.3370 
1 1 1  -21   17   11 o  208.428   93.731  -0.1474   0.3763  -0.2117   0.4043   0.2686   1.0287  209.447   95.366  383.122  163.952 -173.6752 189.6710 
1 1 1  -21   17   12 o  326.129  126.995   0.3793   0.5486   0.5261   0.6617   0.0568   0.9808  365.095  140.214  359.953  157.056 5.142517 210.5389 
1 1 1  -21   17   13 o  986.398   55.704   4.5571   0.5035   4.8465   0.7495   4.3191   0.6798  1007.36   81.553  952.022   78.298 55.34302 113.0549 
1 1 1  -21   17   14 o  869.039   57.219   3.5417   0.4550   3.5545   0.6308   3.5278   0.6569  862.795   80.376  857.990   84.299 4.805176 116.4764 
1 1 1  -21   17   15 o  904.865   56.573   3.8367   0.4687   4.7820   0.6951   3.0485   0.6347  1003.69   75.819  795.576   88.179 208.1180 116.2929 
1 1 1  -21   17   16 o  938.654   57.631   4.1321   0.4954   4.2374   0.7155   4.0352   0.6865  940.950   83.503  918.667   82.077 22.28290 117.0868 
1 1 1  -21   17   17 f  727.872   73.396   2.5267   0.4849   2.7694   0.6611   2.2441   0.7133  752.588   97.775  666.078  120.828 86.50909 155.4328 
1 1 1  -21   17   18 o  478.405  101.646   1.1503   0.4337   1.5499   0.6129   0.7498   0.6136  547.799  124.431  394.809  137.587 152.9895 185.5086 
1 1 1  -21   17   19 o  281.029  110.946   0.2575   0.4236  -0.4777   0.5900   1.0395   0.6085  234.556  109.721  445.270  136.007 -210.7138 174.7471 
1 1 1  -21   17   20 o  299.070  122.605   0.2441   0.5388   0.4577   0.8079   0.0731   0.7230  366.939  150.252  311.649  135.424 55.29004 202.2753 
1 1 1  -21   17   21 o  209.783   96.841  -0.2742   0.4366   0.0160   0.6453  -0.5192   0.5930  288.971  126.700  229.294  108.116 59.67735 166.5596 
1 1 1  -21   19    1 o  557.074  147.738   1.7843   0.7697   1.4690   0.9812   2.2884   1.2409  493.061  173.839  587.451  195.866 -94.38995 261.8844 
1 1 1  -21   19    2 o  570.357   41.109   1.5275   0.2143   1.4843   0.3137   1.5653   0.2934  554.937   62.533  572.402   56.444 -17.46570 84.23897 
1 1 1  -21   19    3 o  562.365   42.042   1.4858   0.2160   1.3937   0.3622   1.5366   0.2691  532.288   76.114  568.905   51.970 -36.61743 92.16360 
1 1 1  -21   19    4 o  378.520   64.414   0.6995   0.2163   0.8335   0.3626   0.6254   0.2695  401.763   98.786  351.559   84.386 50.20377 129.9217 
1 1 1  -21   19    5 o  821.823   43.876   3.1647   0.3306   4.3246   0.5726   2.5847   0.4049  950.802   65.853  736.446   60.279 214.3552 89.27636 
1 1 1  -21   19    6 o  451.152   65.561   0.9855   0.2642   0.7595   0.4358   1.1168   0.3322  382.718  114.700  476.044   78.582 -93.32660 139.0363 
1 1 1  -21   19    7 o  343.557   83.248   0.5918   0.2604   0.9474   0.4708   0.4350   0.3126  425.668  116.708  300.029   98.221 125.6385 152.5391 
1 1 1  -21   19    8 o  382.683   83.325   0.7303   0.2851   0.9242   0.4685   0.6162   0.3593  421.789  116.739  349.521  104.009 72.26816 156.3518 
1 1 1  -21   19    9 o  717.868   71.317   2.4685   0.4649   2.1026   0.7333   2.7142   0.6010  634.135  130.037  745.003   89.465 -110.8685 157.8409 
1 1 1  -21   19   10 o  580.534   67.428   1.6109   0.3535   2.4901   0.5727   1.0697   0.4493  714.739   89.000  458.442  108.242 256.2965 140.1331 
1 1 1  -21   19   11 o  1437.83   61.723   9.7084   0.8166   8.6858   1.1758   10.661   1.1350  1337.87   96.151  1492.55   82.973 -154.6746 127.0024 
1 1 1  -21   19   12 o  1190.40   46.981   6.5943   0.5146   6.8600   0.7307   6.3328   0.7249  1205.79   66.110  1157.38   68.369 48.40625 95.10409 
1 1 1  -21   19   13 o  593.892   73.420   1.6902   0.3927   1.5570   0.5519   1.8268   0.5588  555.820  111.788  606.501  103.865 -50.68146 152.5931 
1 1 1  -21   19   14 o  765.982   63.363   2.7727   0.4426   1.9916   0.6054   3.6692   0.6486  631.930  107.999  874.813   81.516 -242.8829 135.3096 
1 1 1  -21   19   15 o  478.405   96.340   1.1395   0.4094   1.3502   0.5621   0.9015   0.5975  512.793  121.075  422.458  135.606 90.33502 181.7913 
1 1 1  -21   19   16 o  1185.78   74.060   6.6939   0.8040   6.6939   0.8040   0.0000   0.0000  1185.78   74.060  ?   ?  0.000000 74.06020 
1 1 1  -21   19   17 o  508.252  120.063   1.3402   0.5526   1.1739   0.6045   2.1849   1.3623  471.715  133.347  605.374  205.216 -133.6591 244.7347 
1 1 1  -21   19   18 o  558.045   93.591   1.5536   0.4636   1.4292   0.6326   1.6980   0.6813  517.051  132.390  563.769  133.408 -46.71808 187.9485 
1 1 1  -21   19   19 f  336.737  116.843   0.5504   0.4423   0.3903   0.6001   0.7408   0.6546  328.159  131.245  387.506  141.310 -59.34708 192.8566 
1 1 1  -21   19   20 o  311.017  127.522   0.3042   0.5829   0.3360   0.8771   0.2791   0.7802  355.402  151.721  336.961  143.452 18.44031 208.8007 
1 1 1  -21   21    1 o  785.144   41.244   2.8860   0.2969   2.7223   0.4012   3.0842   0.4415  756.079   58.118  804.086   60.101 -48.00677 83.60526 
1 1 1  -21   21    2 o  1197.32   32.576   6.6552   0.3589   6.2351   0.5838   6.9104   0.4551  1149.33   55.201  1217.04   40.635 -67.70752 68.54420 
1 1 1  -21   21    3 o  1115.06   35.520   5.7797   0.3645   5.8893   0.6177   5.7212   0.4514  1113.27   60.528  1106.24   44.344 7.028076 75.03337 
1 1 1  -21   21    4 o  494.324   54.873   1.1639   0.2454   0.4575   0.4274   1.5112   0.2997  316.417  114.374  562.713   58.745 -246.2954 128.5780 
1 1 1  -21   21    5 o  437.238   66.020   0.9265   0.2573   1.4693   0.4966   0.7272   0.3009  536.177  104.407  379.723   87.861 156.4543 136.4563 
1 1 1  -21   21    6 o  335.998   87.682   0.5675   0.2740  -0.1569   0.4754   0.9277   0.3352  234.068  105.302  430.608   87.583 -196.5402 136.9652 
1 1 1  -21   21    7 o  766.200   54.447   2.7679   0.3814   2.7633   0.6687   2.7701   0.4643  745.010  100.067  761.875   66.906 -16.86475 120.3741 
1 1 1  -21   21    8 o  610.897   64.742   1.7810   0.3584   1.8217   0.6601   1.7639   0.4268  591.348  125.206  602.852   78.821 -11.50391 147.9499 
1 1 1  -21   21    9 o  703.764   93.316   2.4343   0.5894   0.0000   0.0000   2.4343   0.5894  ?   ?   703.764   93.316 0.000000 93.31584 
1 1 1  -21   21   10 o  1421.04   46.738   9.4105   0.6111   10.032   1.0214   9.0641   0.7627  1449.74   76.840  1389.07   59.675 60.67310 97.29054 
1 1 1  -21   21   11 o  1290.32   60.592   7.8234   0.7194   7.7343   0.9809   7.9270   1.0583  1268.03   84.553  1279.81   90.448 -11.78784 123.8147 
1 1 1  -21   21   12 o  855.502   58.943   3.4505   0.4612   2.7858   0.6705   4.0473   0.6353  751.481   99.406  919.892   75.726 -168.4113 124.9641 
1 1 1  -21   21   13 o  912.389   58.544   3.9228   0.4889   4.4015   0.7425   3.5564   0.6496  954.321   85.456  858.175   83.317 96.14636 119.3501 
1 1 1  -21   21   14 f  798.912   66.531   3.0358   0.4846   3.3231   0.6768   2.7334   0.6944  824.987   90.643  740.239  104.876 84.74841 138.6185 
1 1 1  -21   21   15 o  217.668   95.192  -0.0394   0.3622   0.6614   0.5623  -0.5363   0.4735  371.547  131.531  198.531   94.487 173.0161 161.9515 
1 1 1  -21   21   16 o  427.364  105.009   0.9402   0.4100   0.7347   0.5748   1.1529   0.5849  383.730  133.196  464.444  131.124 -80.71411 186.9081 
1 1 1  -21   21   17 o  963.886   73.523   4.4827   0.6472   5.0743   0.8277   3.5521   1.0381  1014.75   89.564  805.930  145.332 208.8228 170.7137 
1 1 1  -21   21   18 o  409.658  113.816   0.8918   0.4444   0.6319   0.6242   1.1589   0.6329  363.916  137.018  456.408  138.545 -92.49179 194.8558 
1 1 1  -21   21   19 o  272.135  113.279   0.1852   0.4695  -0.0602   0.6598   0.4369   0.6682  279.917  125.128  337.549  137.248 -57.63239 185.7258 
1 1 1  -21   23    1 f  796.479   43.716   2.9759   0.3192   2.3673   0.3918   4.1765   0.5503  703.495   61.134  933.969   64.421 -230.4733 88.81131 
1 1 1  -21   23    2 o  1063.87   37.993   5.2705   0.3719   5.3983   0.5639   5.1722   0.4948  1066.95   57.653  1048.74   51.273 18.21008 77.15420 
1 1 1  -21   23    3 o  593.817   47.551   1.6620   0.2576   2.0370   0.4417   1.4686   0.3172  646.804   75.649  552.768   63.512 94.03577 98.77545 
1 1 1  -21   23    4 o  279.293   81.601   0.3861   0.2229   0.4527   0.3870   0.3530   0.2726  310.950  109.213  273.573   91.805 37.37738 142.6732 
1 1 1  -21   23    5 o  841.826   44.972   3.3191   0.3471   2.6196   0.5613   3.7522   0.4417  730.844   85.050  891.784   54.081 -160.9399 100.7885 
1 1 1  -21   23    6 o  515.379   64.380   1.2764   0.2987   1.5831   0.5326   1.1357   0.3607  555.937  107.999  478.294   85.077 77.64252 137.4839 
1 1 1  -21   23    7 o  573.607   62.522   1.5723   0.3247   1.7301   0.5541   1.4898   0.4006  582.734  107.281  551.194   81.445 31.53998 134.6944 
1 1 1  -21   23    8 o  1010.35   69.428   4.8737   0.6415   3.5836   1.4678   5.1783   0.7133  763.388  204.736  1038.39   75.159 -275.0023 218.0961 
1 1 1  -21   23    9 o  696.311   64.495   2.3119   0.4085   1.9928   0.6489   2.5215   0.5258  621.475  117.788  720.540   80.693 -99.06451 142.7778 
1 1 1  -21   23   10 f  896.380   58.082   3.7967   0.4765   4.1862   0.7846   3.5691   0.5997  922.670   93.719  860.712   76.523 61.95801 120.9916 
1 1 1  -21   23   11 o  470.940  121.226   1.1642   0.5284   0.6643   0.6186   2.5137   1.0164  375.929  137.332  666.539  166.268 -290.6100 215.6509 
1 1 1  -21   23   12 o  586.796   85.871   1.6965   0.4499   1.9715   0.7015   1.5043   0.5864  610.547  128.918  535.193  121.817 75.35297 177.3674 
1 1 1  -21   23   13 o  690.644   80.835   2.3285   0.5040   1.9325   0.7479   2.6579   0.6821  596.592  138.843  724.787  105.368 -128.1945 174.2980 
1 1 1  -21   23   14 o  177.102   84.624  -0.4697   0.3878  -0.3613   0.6176  -0.5403   0.4982  247.795  114.664  203.683   96.935 44.11203 150.1475 
1 1 1  -21   23   15 o  669.771   86.295   2.2265   0.5195   2.8179   0.8438   1.8656   0.6592  722.814  131.717  589.285  125.418 133.5292 181.8766 
1 1 1  -21   23   16 f  726.242   85.419   2.6247   0.5599   2.8871   0.9134   2.4666   0.7087  716.912  143.472  682.376  117.079 34.53613 185.1800 
1 1 1  -21   23   17 o  796.572   84.255   3.1648   0.6082   4.1751   1.0392   2.6386   0.7501  868.703  134.347  699.352  120.931 169.3513 180.7575 
1 1 1  -21   23   18 o  394.047  143.973   0.8563   0.6799   1.2231   0.7920  -0.1716   1.3257  450.990  156.360  356.269  165.928 94.72119 227.9926 
1 1 1  -21   25    1 o  244.467   87.498   0.2663   0.2495   0.1999   0.2957   0.4303   0.4649  237.815   93.058  310.863  117.965 -73.04779 150.2519 
1 1 1  -21   25    2 o  499.024   74.102   1.2287   0.3299   1.7939   0.4299   0.4188   0.5146  601.841   79.583  316.182  123.036 285.6581 146.5309 
1 1 1  -21   25    3 f  507.946   70.518   1.2624   0.3207   1.4364   0.4399   1.0649   0.4686  531.395   93.369  446.553  113.725 84.84174 147.1433 
1 1 1  -21   25    4 o  343.707   86.146   0.6014   0.2719   0.0389   0.3650   1.3025   0.4076  227.457   97.509  507.434   90.614 -279.9773 133.1128 
1 1 1  -21   25    5 o  621.210   58.854   1.8444   0.3324   1.7301   0.5141   1.9265   0.4358  582.183   99.537  626.888   77.174 -44.70422 125.9504 
1 1 1  -21   25    6 o  411.889   79.607   0.8469   0.2908   0.5816   0.4583   1.0258   0.3762  342.877  118.935  448.218   94.217 -105.3405 151.7311 
1 1 1  -21   25    7 o  326.424   94.180   0.5416   0.2986   0.1000   0.4531   0.8805   0.3969  258.730  109.704  411.099  104.651 -152.3691 151.6136 
1 1 1  -21   25    8 o  890.245   81.417   3.8776   0.6596   3.6993   1.5659   3.9161   0.7272  740.718  216.262  888.806   90.167 -148.0880 234.3059 
1 1 1  -21   25    9 o  661.820   68.440   2.1154   0.4108   2.2108   0.6729   2.0587   0.5186  649.398  116.903  641.952   90.293 7.446167 147.7131 
1 1 1  -21   25   10 o  313.500  118.908   0.4222   0.4722   0.1058   0.5539   1.2635   0.9033  280.208  120.121  470.238  166.684 -190.0299 205.4572 
1 1 1  -21   25   11 o  256.582  102.244   0.2144   0.3629  -0.4577   0.5643   0.6882   0.4738  225.831  106.168  364.498  121.004 -138.6672 160.9770 
1 1 1  -21   25   12 o  286.011  108.330   0.3443   0.3916   0.2594   0.6364   0.3960   0.4968  311.742  130.974  310.559  120.875 1.182556 178.2274 
1 1 1  -21   25   13 o  588.666   88.654   1.7499   0.4653   2.4179   0.7519   1.3352   0.5924  665.287  127.458  489.357  129.532 175.9298 181.7249 
1 1 1  -21   25   14 o  564.716   96.709   1.6490   0.4845   1.5042   0.7742   1.7422   0.6211  499.657  153.537  562.258  123.433 -62.60153 197.0012 
1 1 1  -21   25   15 o  735.259   85.022   2.7260   0.5646   3.2841   0.9479   2.4191   0.7029  754.463  141.739  665.638  119.138 88.82465 185.1591 
1 1 1  -21   25   16 o  566.242  108.726   1.7294   0.5459   3.2143   0.9370   0.9664   0.6717  741.062  142.584  406.625  143.778 334.4376 202.4901 
1 1 1  -21   27    1 o  175.902   79.558  -0.1021   0.2756   0.0311   0.3284  -0.4192   0.5069  211.962   91.690  209.536   99.153 2.426514 135.0494 
1 1 1  -21   27    2 o  702.259   65.775   2.4118   0.4201   2.0831   0.5078   3.1244   0.7477  637.046   89.065  763.228  109.608 -126.1821 141.2321 
1 1 1  -21   27    3 o  488.478   86.947   1.2256   0.3765   1.1394   0.4859   1.3552   0.5956  453.338  115.996  484.916  130.577 -31.57794 174.6575 
1 1 1  -21   27    4 o  886.824   60.638   3.7916   0.4919   3.8210   0.6534   3.7531   0.7472  873.943   82.218  853.202   96.886 20.74121 127.0696 
1 1 1  -21   27    5 o  186.888   85.016  -0.1398   0.3203  -0.2194   0.4535  -0.0605   0.4526  216.151   99.385  233.297  104.006 -17.14540 143.8560 
1 1 1  -21   27    6 o  170.511   79.236  -0.2177   0.2996   0.1245   0.4599  -0.4701   0.3950  258.917  110.181  176.931   84.774 81.98676 139.0199 
1 1 1  -21   27    7 o  388.663  123.362   0.8337   0.4956  -0.2476   1.5732   0.9528   0.5221  373.698  176.171  412.450  125.985 -38.75250 216.5836 
1 1 1  -21   27    8 o  339.242  100.432   0.6070   0.3356   0.4267   0.5027   0.7521   0.4509  311.942  121.540  371.826  117.635 -59.88351 169.1449 
1 1 1  -21   27    9 o  588.938   76.796   1.7285   0.4063   1.6823   0.6335   1.7608   0.5295  545.691  128.320  577.524  103.436 -31.83276 164.8186 
1 1 1  -21   27   10 o  265.478  112.685   0.1531   0.4789   0.4626   0.6106  -0.3414   0.7718  327.895  131.947  271.527  126.509 56.36859 182.7966 
1 1 1  -21   27   11 f  187.841   88.418  -0.3301   0.3935  -0.2129   0.6248  -0.4072   0.5066  253.667  116.641  211.377   99.748 42.28954 153.4756 
1 1 1  -21   27   12 o  319.294  116.928   0.5192   0.4488   1.3623   0.7738   0.0917   0.5510  463.193  154.674  268.811  117.491 194.3819 194.2373 
1 1 1  -21   27   13 o  325.119  120.986   0.5458   0.4839  -0.1612   0.7904   0.9696   0.6120  283.102  130.550  403.010  137.538 -119.9078 189.6311 
1 1 1  -21   27   14 o  605.660   95.225   1.9385   0.5132   2.2349   0.8137   1.7428   0.6613  597.497  148.618  539.933  133.782 57.56378 199.9626 
1 1 1  -21   29    1 o  191.267   86.665  -0.0819   0.3288  -0.1827   0.3887   0.1718   0.6165  195.727   90.709  275.735  122.243 -80.00726 152.2214 
1 1 1  -21   29    2 o  251.168  101.269   0.2523   0.3604  -0.0991   0.4272   1.1207   0.6715  215.037   97.957  409.335  143.857 -194.2977 174.0413 
1 1 1  -21   29    3 o  296.923  107.732   0.4675   0.3797   0.2835   0.4780   0.7827   0.6254  274.460  114.275  359.702  136.741 -85.24228 178.2047 
1 1 1  -21   29    4 o  437.544  105.510   1.0784   0.4199   0.1584   0.5287   2.6487   0.6908  266.332  115.772  683.934  113.758 -417.6026 162.3090 
1 1 1  -21   29    5 o  386.309  106.710   0.8452   0.3919   0.8418   0.5372   0.8490   0.5729  374.257  128.830  374.394  132.741 -0.1374207 184.9791 
1 1 1  -21   29    6 o  385.267  133.776   0.9083   0.5799   1.5653   1.7386   0.8260   0.6151  434.576  197.833  370.225  136.673 64.35083 240.4532 
1 1 1  -21   29    7 o  307.508  112.688   0.5003   0.4170   0.6635   0.6149   0.3613   0.5674  344.672  134.385  298.345  124.388 46.32727 183.1166 
1 1 1  -21   29    8 o  359.592  109.628   0.7369   0.3956   1.2371   0.6079   0.3693   0.5211  443.558  136.011  293.986  120.557 149.5721 181.7499 
1 1 1  -21   29    9 o  660.336  103.971   2.3965   0.6109   2.3813   0.7497   2.4265   1.0536  625.067  134.350  561.471  180.051 63.59564 224.6518 
1 1 1  -21   29   10 o  461.563  102.332   1.1860   0.4232   1.1159   0.7266   1.2219   0.5207  409.362  148.941  451.602  122.287 -42.24072 192.7112 
1 1 1  -21   29   11 o  212.521   96.155  -0.0782   0.4030   0.0771   0.6733  -0.1648   0.5031  277.887  125.138  225.988  104.192 51.89938 162.8359 
1 1 1  -21   29   12 o  432.967  203.901   1.8837   2.0974   1.8837   2.0974   0.0000   0.0000  432.967  203.901  ?   ?  0.000000 203.9006 
1 1 1  -21   31    1 o  196.924   90.327  -0.0701   0.3715   0.0315   0.4283  -0.3786   0.7466  219.799   99.316  235.661  113.835 -15.86208 151.0703 
1 1 1  -21   31    2 f  211.561   94.963   0.0206   0.3842   0.3193   0.4576  -0.6931   0.7073  262.645  110.746  215.805  105.694 46.84007 153.0876 
1 1 1  -21   31    3 o  212.108   96.554  -0.0353   0.4141   0.1497   0.5046  -0.4167   0.7246  248.143  110.273  234.493  112.989 13.64984 157.8815 
1 1 1  -21   31    4 o  252.637  106.235   0.2601   0.4193  -0.1395   0.5167   1.0300   0.7173  222.385  103.579  368.845  144.767 -146.4607 178.0062 
1 1 1  -21   31    5 o  504.246  140.439   1.7859   0.6758   2.8658   1.7248   1.5901   0.7345  443.277  199.887  454.948  150.639 -11.67157 250.2943 
1 1 1  -21   31    6 o  244.458  112.557  -0.0334   0.5844  -0.1660   0.6160   1.1606   1.8489  238.341  111.689  366.454  177.526 -128.1134 209.7381 
1 1 1  -21   31    7 o  560.602  126.282   2.0009   0.6358   2.2568   0.6792   0.1899   1.8066  594.572  127.942  337.513  166.029 257.0589 209.6060 
1 1 1  -21   31    8 o  409.306  182.863   1.7800   1.4070   3.4766   2.0907   0.3752   1.9024  454.201  210.453  346.680  170.506 107.5214 270.8556 
1 1 1  -20    0    1 o  862.120   68.162   3.5207   0.5329   3.5207   0.5329   3.5207   0.5329  862.120   68.162  862.120   68.162 0.000000 0.000000 
1 1 1  -20    0    2 o  2360.91   74.120   26.049   1.6066   26.049   1.6066   26.049   1.6066  2360.91   74.120  2360.91   74.120 0.000000 0.000000 
1 1 1  -20    0    3 o  1000.96   91.162   4.8090   0.8236   4.8090   0.8236   4.8090   0.8236  1000.96   91.162  1000.96   91.162 0.000000 0.000000 
1 1 1  -20    0    4 o  1651.20   81.076   12.828   1.2251   12.828   1.2251   12.828   1.2251  1651.20   81.076  1651.20   81.076 0.000000 0.000000 
1 1 1  -20    0    5 o  227.398  137.541   0.2599   0.5293   0.2599   0.5293   0.2599   0.5293  227.398  137.541  227.398  137.541 0.000000 0.000000 
1 1 1  -20    0    6 o  153.695  106.670  -0.4244   0.5271  -0.4244   0.5271  -0.4244   0.5271  153.695  106.670  153.695  106.670 0.000000 0.000000 
1 1 1  -20    0    7 o  123.675   87.008  -0.4181   0.3861  -0.4181   0.3861  -0.4181   0.3861  123.675   87.008  123.675   87.008 -0.000000 0.000000 
1 1 1  -20    0    8 f  1070.93   71.186   5.4286   0.6944   5.4286   0.6944   5.4286   0.6944  1070.93   71.186  1070.93   71.186 -0.000000 0.000000 
1 1 1  -20    0    9 o  924.249  110.927   4.2530   0.9074   4.2530   0.9074   4.2530   0.9074  924.249  110.927  924.249  110.927 -0.000000 0.000000 
1 1 1  -20    0   10 o  663.797  150.578   2.4492   0.8019   2.4492   0.8019   2.4492   0.8019  663.797  150.578  663.797  150.578 -0.000000 0.000000 
1 1 1  -20    0   11 o  2156.32   65.068   21.834   1.2884   21.834   1.2884   21.834   1.2884  2156.32   65.068  2156.32   65.068 0.000000 0.000000 
1 1 1  -20    0   12 o  531.172  138.159   1.6184   0.5835   1.6184   0.5835   1.6184   0.5835  531.172  138.159  531.172  138.159 0.000000 0.000000 
1 1 1  -20    0   13 o  183.434  121.274  -0.0577   0.5326  -0.0577   0.5326  -0.0577   0.5326  183.434  121.274  183.434  121.274 -0.000000 0.000000 
1 1 1  -20    0   14 o  631.831  126.001   2.1504   0.6503   2.1504   0.6503   2.1504   0.6503  631.831  126.001  631.831  126.001 -0.000000 0.000000 
1 1 1  -20    0   15 o  1217.10   82.100   7.1193   0.9099   7.1193   0.9099   7.1193   0.9099  1217.10   82.100  1217.10   82.100 0.000000 0.000000 
1 1 1  -20    0   16 o  1078.50   70.216   5.5377   0.6900   5.5377   0.6900   5.5377   0.6900  1078.50   70.216  1078.50   70.216 -0.000000 0.000000 
1 1 1  -20    0   17 o  161.776  107.514  -0.0843   0.4275  -0.0843   0.4275  -0.0843   0.4275  161.776  107.514  161.776  107.514 -0.000000 0.000000 
1 1 1  -20    0   18 o  465.740  130.198   1.2545   0.4828   1.2545   0.4828   1.2545   0.4828  465.740  130.198  465.740  130.198 0.000000 0.000000 
1 1 1  -20    0   19 o  154.163  105.770  -0.2894   0.4832  -0.2894   0.4832  -0.2894   0.4832  154.163  105.770  154.163  105.770 0.000000 0.000000 
1 1 1  -20    0   20 o  326.840  168.396   0.8021   0.6480   0.8021   0.6480   0.8021   0.6480  326.840  168.396  326.840  168.396 -0.000000 0.000000 
1 1 1  -20    0   21 o  233.672  139.363   0.3251   0.5283   0.3251   0.5283   0.3251   0.5283  233.672  139.363  233.672  139.363 -0.000000 0.000000 
1 1 1  -20    0   22 o  473.448  230.527   1.8760   1.1809   1.8760   1.1809   1.8760   1.1809  473.448  230.527  473.448  230.527 0.000000 0.000000 
1 1 1  -20    0   23 o  188.888  126.914  -0.1397   0.6252  -0.1397   0.6252  -0.1397   0.6252  188.888  126.914  188.888  126.914 -0.000000 0.000000 
1 1 1  -20    0   24 o  865.378  112.205   3.9019   0.8520   3.9019   0.8520   3.9019   0.8520  865.378  112.205  865.378  112.205 -0.000000 0.000000 
1 1 1  -20    0   25 o  191.503  131.082  -0.2277   0.7326  -0.2277   0.7326  -0.2277   0.7326  191.503  131.082  191.503  131.082 0.000000 0.000000 
1 1 1  -20    2    1 o  229.391   89.502   0.1617   0.2729   0.3324   0.4850   0.0826   0.3301  309.233  119.689  229.890   95.279 79.34293 152.9827 
1 1 1  -20    2    2 o  752.682   57.260   2.6566   0.3936   2.5557   0.6526   2.7143   0.4935  724.215  100.651  756.879   71.708 -32.66461 123.5822 
1 1 1  -20    2    3 o  458.198   83.137   1.0207   0.3376   0.5202   0.5510   1.3216   0.4272  353.243  129.524  520.092   92.663 -166.8487 159.2572 
1 1 1  -20    2    4 o  1363.31   42.135   8.6103   0.5286   8.7161   0.7693   8.5157   0.7275  1366.47   61.180  1351.51   58.499 14.96875 84.64719 
1 1 1  -20    2    5 o  560.131   62.178   1.4824   0.3151   1.4052   0.4479   1.5580   0.4433  536.336   94.194  567.423   87.728 -31.08704 128.7197 
1 1 1  -20    2    6 o  683.483   66.742   2.2070   0.4144   2.1615   0.4937   2.3155   0.7624  672.077   81.497  678.914  126.698 -6.836853 150.6458 
1 1 1  -20    2    7 o  1217.61   67.313   6.9706   0.7512   6.8536   1.0478   7.0943   1.0776  1194.14   96.177  1214.47   97.246 -20.32971 136.7727 
1 1 1  -20    2    8 o  1107.07   68.320   5.7765   0.6926   4.4420   0.9623   7.2106   0.9975  950.870  112.139  1227.57   88.913 -276.7053 143.1109 
1 1 1  -20    2    9 o  540.213   83.986   1.4167   0.4039   1.8136   0.5173   0.7971   0.6464  608.423   95.557  408.552  141.283 199.8708 170.5638 
1 1 1  -20    2   10 o  1028.30   61.663   4.9753   0.5808   5.3969   0.9978   4.7593   0.7142  1049.99  104.665  998.880   78.335 51.10870 130.7327 
1 1 1  -20    2   11 f  1697.98   47.457   13.424   0.7415   13.632   1.0412   13.210   1.0562  1701.39   66.506  1673.62   68.581 27.76440 95.53284 
1 1 1  -20    2   12 o  935.677   60.087   4.1236   0.5146   4.5883   0.7405   3.6895   0.7157  977.144   83.145  872.077   90.503 105.0662 122.8981 
1 1 1  -20    2   13 f  447.425   98.504   1.0036   0.3946   0.8327   0.5490   1.1862   0.5675  406.877  129.914  478.465  126.844 -71.58765 181.5679 
1 1 1  -20    2   14 o  798.665   57.819   3.0011   0.4220   4.0182   0.7072   2.4385   0.5260  913.774   85.083  711.390   81.842 202.3851 118.0561 
1 1 1  -20    2   15 o  1069.26   52.440   5.3328   0.5160   5.7411   0.8381   5.0836   0.6547  1095.07   83.809  1036.70   69.030 58.36780 108.5774 
1 1 1  -20    2   16 o  334.545  103.452   0.5436   0.3508   1.0056   0.5876   0.2876   0.4373  444.635  133.167  291.932  113.473 152.7029 174.9552 
1 1 1  -20    2   17 o  895.852   60.633   3.7664   0.4969   4.1069   0.8270   3.5740   0.6216  921.119   99.131  866.727   78.798 54.39178 126.6342 
1 1 1  -20    2   18 o  396.676  100.351   0.7792   0.3666   1.3331   0.5161   0.2152   0.5207  517.392  111.674  299.178  121.339 218.2141 164.9069 
1 1 1  -20    2   19 o  442.302  103.736   0.9677   0.4149   1.1953   0.7017   0.8454   0.5144  487.744  145.402  414.802  124.688 72.94189 191.5438 
1 1 1  -20    2   20 o  1036.40   59.801   5.0160   0.5679   6.0912   0.7928   3.8832   0.8138  1137.42   76.193  899.049  100.065 238.3707 125.7707 
1 1 1  -20    2   21 o  194.882   88.659  -0.1999   0.3485   0.1320   0.4880  -0.5453   0.4978  280.074  115.943  208.023   98.381 72.05113 152.0583 
1 1 1  -20    2   22 o  319.176  140.572  -0.1053   0.8022  -0.8277   1.0837   0.7704   1.1931  318.983  149.048  462.870  185.086 -143.8871 237.6385 
1 1 1  -20    2   23 f  284.446  110.747   0.2676   0.4171   0.0897   0.5378   0.5363   0.6608  283.405  119.806  368.649  140.464 -85.24384 184.6179 
1 1 1  -20    2   24 o  171.921   83.215  -0.6230   0.4041  -0.6740   0.4989  -0.5258   0.6890  196.535   94.460  255.598  119.236 -59.06282 152.1177 
1 1 1  -20    2   25 o  503.272  105.484   1.2876   0.4729   1.3573   0.6142   1.1862   0.7409  506.602  130.843  471.153  150.983 35.44897 199.7889 
1 1 1  -20    4    1 o  1021.57   42.489   4.8428   0.3994   4.5759   0.5612   5.1167   0.5686  986.395   62.146  1044.21   59.418 -57.81506 85.98077 
1 1 1  -20    4    2 o  904.950   44.941   3.8019   0.3742   3.8583   0.5262   3.7441   0.5324  905.499   63.551  891.352   65.363 14.14685 91.16479 
1 1 1  -20    4    3 o  739.146   50.256   2.5522   0.3398   2.5500   0.4887   2.5543   0.4727  732.615   73.492  734.042   70.865 -1.427673 102.0923 
1 1 1  -20    4    4 o  940.719   45.408   4.1068   0.3931   4.4373   0.5716   3.8102   0.5414  971.657   64.295  899.600   65.859 72.05646 92.03943 
1 1 1  -20    4    5 o  570.948   60.161   1.5385   0.3113   1.6310   0.4573   1.4586   0.4250  580.016   88.495  548.320   87.140 31.69574 124.1962 
1 1 1  -20    4    6 o  643.761   67.681   1.9643   0.3949   1.7595   0.4994   2.3062   0.6452  600.962   93.340  684.847  105.787 -83.88501 141.0790 
1 1 1  -20    4    7 o  887.790   59.891   3.7004   0.4864   3.7810   0.6027   3.5496   0.8238  892.805   74.025  850.904  107.622 41.90125 130.6228 
1 1 1  -20    4    8 o  1139.43   56.001   6.0617   0.5871   5.7957   0.6873   6.7802   1.1297  1108.50   67.703  1179.60  105.179 -71.09497 125.0857 
1 1 1  -20    4    9 o  1560.17   45.069   11.313   0.6470   11.032   0.8977   11.618   0.9334  1532.95   63.642  1572.73   64.497 -39.77600 90.60989 
1 1 1  -20    4   10 o  1737.67   45.802   14.046   0.7323   14.442   1.0387   13.655   1.0327  1752.63   64.410  1703.32   65.887 49.30078 92.13932 
1 1 1  -20    4   11 f  958.358   65.013   4.3423   0.5699   4.5553   1.0002   4.2400   0.6935  954.720  116.258  940.065   80.964 14.65527 141.6728 
1 1 1  -20    4   12 o  226.201   95.149   0.0575   0.3365  -0.4059   0.7086   0.1924   0.3824  269.133  123.927  261.672  104.727 7.461212 162.2516 
1 1 1  -20    4   13 o  540.727   82.548   1.4236   0.3977   3.0428   0.9767   1.1018   0.4354  761.505  144.676  467.400  103.934 294.1050 178.1389 
1 1 1  -20    4   14 o  424.947   98.654   0.9056   0.3783   1.6838   0.6431   0.4938   0.4679  572.010  125.623  334.074  119.797 237.9358 173.5869 
1 1 1  -20    4   15 f  167.141   78.575  -0.3106   0.3090  -0.7215   0.5205  -0.0869   0.3841  199.782   96.136  219.369   96.907 -19.58719 136.5036 
1 1 1  -20    4   16 f  261.712  100.907   0.2323   0.3437   0.4854   0.5646   0.0833   0.4332  347.153  130.389  257.513  108.119 89.63910 169.3844 
1 1 1  -20    4   17 o  568.819   82.652   1.5601   0.4199   1.1251   0.6725   1.8382   0.5377  470.500  142.811  612.909   98.688 -142.4093 173.5924 
1 1 1  -20    4   18 o  486.140   90.702   1.1531   0.3908   1.5104   0.6767   0.9743   0.4787  544.736  135.554  441.395  116.251 103.3412 178.5755 
1 1 1  -20    4   19 o  1251.93   55.869   7.2865   0.6436   7.1209   1.0092   7.4001   0.8356  1224.42   90.208  1255.18   72.656 -30.75647 115.8294 
1 1 1  -20    4   20 o  410.885  105.883   0.8357   0.4028   0.9415   0.5633   0.7248   0.5763  436.190  130.331  394.935  133.475 41.25549 186.5521 
1 1 1  -20    4   21 o  730.247   65.816   2.5106   0.4375   2.1206   0.5673   3.0828   0.6872  661.941   95.941  800.644   95.135 -138.7028 135.1125 
1 1 1  -20    4   22 o  346.065  119.088   0.5446   0.4590   0.5993   0.6063   0.4712   0.7026  373.591  136.036  367.048  143.504 6.542206 197.7354 
1 1 1  -20    4   23 o  616.989  103.469   1.8827   0.5666   2.8176   0.7334   0.4979   0.8925  755.181  108.667  393.515  159.115 361.6653 192.6817 
1 1 1  -20    4   24 o  508.506  105.656   1.3057   0.4782   1.4440   0.6273   1.1136   0.7390  525.524  130.347  462.331  151.013 63.19318 199.4873 
1 1 1  -20    4   25 o  795.854   89.846   3.1016   0.6464   3.1053   0.8291   3.0957   1.0324  779.180  119.445  754.101  153.995 25.07935 194.8881 
1 1 1  -20    6    1 o  1257.91   42.848   7.3523   0.4960   7.7070   0.6509   6.8612   0.7659  1283.78   55.098  1203.75   69.441 80.03149 88.64419 
1 1 1  -20    6    2 o  943.874   46.857   4.1444   0.4070   4.1766   0.5297   4.0981   0.6357  941.928   61.455  927.860   75.103 14.06842 97.04258 
1 1 1  -20    6    3 o  909.135   55.692   3.8737   0.4636   4.1423   0.6852   3.6468   0.6297  931.071   80.778  873.872   79.171 57.19891 113.1069 
1 1 1  -20    6    4 o  353.155   90.426   0.6182   0.2951   0.7267   0.3788   0.4508   0.4707  381.325  104.747  327.503  119.773 53.82211 159.1144 
1 1 1  -20    6    5 o  639.754   62.601   1.9352   0.3638   1.7802   0.4617   2.1889   0.5907  606.438   85.089  668.197   99.078 -61.75885 130.6007 
1 1 1  -20    6    6 o  1165.11   44.682   6.3059   0.4790   6.5717   0.6850   6.0514   0.6702  1182.18   63.198  1133.78   64.503 48.40808 90.30341 
1 1 1  -20    6    7 o  445.727   77.476   0.9660   0.3062   1.2320   0.4439   0.7245   0.4230  497.228  100.488  380.868  112.737 116.3603 151.0210 
1 1 1  -20    6    8 o  1077.59   58.603   5.4533   0.5789   5.5380   0.6958   5.2627   1.0435  1081.17   70.321  1031.66  111.705 49.51501 131.9964 
1 1 1  -20    6    9 o  1059.39   50.293   5.2345   0.4903   5.4442   0.6932   5.0247   0.6934  1071.20   70.730  1027.54   73.832 43.66125 102.2440 
1 1 1  -20    6   10 o  167.630   76.175  -0.1404   0.2563  -0.2480   0.4104  -0.0715   0.3282  207.390   95.057  203.372   89.724 4.018280 130.7144 
1 1 1  -20    6   11 o  242.354  100.531   0.1030   0.3679   0.2259   0.6507   0.0452   0.4461  320.541  133.386  253.611  108.233 66.93001 171.7737 
1 1 1  -20    6   12 o  278.582   97.332   0.3447   0.3072   0.9537   0.5072  -0.0079   0.3860  430.418  122.312  230.070   99.464 200.3484 157.6489 
1 1 1  -20    6   13 o  983.126   51.543   4.5246   0.4647   4.7740   0.7407   4.3628   0.5966  997.399   81.421  959.250   68.035 38.14935 106.1041 
1 1 1  -20    6   14 o  618.852   66.114   1.8219   0.3707   2.3082   0.6154   1.5450   0.4643  683.951  100.804  560.154   93.374 123.7972 137.4047 
1 1 1  -20    6   15 o  206.705   90.926  -0.0668   0.3347  -0.0175   0.5437  -0.0968   0.4247  270.445  117.480  229.997  101.740 40.44818 155.4110 
1 1 1  -20    6   16 o  221.753   96.819  -0.0487   0.3733  -1.2573   0.7256   0.3863   0.4353  220.833  107.922  309.951  114.866 -89.11761 157.6111 
1 1 1  -20    6   17 o  183.525   86.745  -0.4220   0.3860  -0.5539   0.8257  -0.3851   0.4366  286.447  132.560  203.061   94.790 83.38544 162.9641 
1 1 1  -20    6   18 f  719.957   93.364   2.4963   0.6040   0.0000   0.0000   2.4963   0.6040  ?   ?   719.957   93.364 0.000000 93.36374 
1 1 1  -20    6   19 o  1048.35   56.353   5.1253   0.5416   5.1908   0.7791   5.0641   0.7534  1047.48   81.478  1035.15   79.714 12.33093 113.9865 
1 1 1  -20    6   20 o  570.856  105.299   1.6007   0.5327   1.5932   0.7577   1.6081   0.7492  557.960  145.918  560.877  144.328 -2.916626 205.2380 
1 1 1  -20    6   21 o  640.888   86.913   1.9754   0.4993   1.9150   0.6390   2.0701   0.8002  620.888  116.112  636.804  140.346 -15.91565 182.1514 
1 1 1  -20    6   22 o  276.825  107.114   0.2565   0.3883   0.8600   0.5348  -0.4164   0.5648  415.543  127.604  236.249  109.437 179.2941 168.1051 
1 1 1  -20    6   23 o  433.565  120.521   0.9586   0.4982   0.5763   0.6069   1.7485   0.8723  366.364  135.657  570.373  159.815 -204.0083 209.6274 
1 1 1  -20    6   24 o  322.891  118.188   0.4513   0.4585   1.7430   0.6457  -0.8624   0.6512  579.489  124.777  222.995  107.363 356.4944 164.6090 
1 1 1  -20    6   25 o  608.023  226.441   2.3565   1.6957   2.3565   1.6957   0.0000   0.0000  608.023  226.441  ?   ?  0.000000 226.4406 
1 1 1  -20    8    1 o  367.723   72.557   0.6631   0.2368   0.8121   0.3488   0.5358   0.3225  401.251   95.799  328.550   98.710 72.70105 137.5540 
1 1 1  -20    8    2 o  871.900   44.001   3.5463   0.3519   3.0111   0.4976   4.0815   0.4976  795.269   68.678  930.812   58.396 -135.5435 90.14791 
1 1 1  -20    8    3 o  881.158   45.257   3.6229   0.3657   3.3383   0.5326   3.8767   0.5030  837.687   69.734  906.635   60.646 -68.94830 92.41662 
1 1 1  -20    8    4 o  546.086   61.202   1.4167   0.3022   0.9448   0.4464   1.8161   0.4107  430.590  111.712  615.007   74.062 -184.4174 134.0322 
1 1 1  -20    8    5 o  505.436   65.842   1.2220   0.2990   0.8299   0.4277   1.5963   0.4180  404.394  111.397  573.602   81.484 -169.2079 138.0184 
1 1 1  -20    8    6 o  1256.95   44.173   7.3479   0.5109   7.5238   0.7367   7.1848   0.7092  1263.17   63.582  1234.77   62.621 28.39917 89.24155 
1 1 1  -20    8    7 o  1137.25   46.760   6.0242   0.4893   5.5568   0.6757   6.5396   0.7095  1082.85   68.165  1176.15   65.824 -93.30676 94.75888 
1 1 1  -20    8    8 o  679.542   52.587   2.1709   0.3263   1.4727   0.4971   2.6995   0.4325  541.541  103.521  754.953   62.824 -213.4118 121.0932 
1 1 1  -20    8    9 o  454.763   81.149   1.0150   0.3271   1.1836   0.4913   0.8808   0.4384  480.518  113.019  414.956  112.147 65.56262 159.2174 
1 1 1  -20    8   10 o  729.590   54.234   2.5056   0.3615   2.9363   0.5971   2.2564   0.4542  778.133   84.763  685.796   73.101 92.33661 111.9307 
1 1 1  -20    8   11 o  320.284  100.208   0.5019   0.3281   0.9853   0.5530   0.2392   0.4076  435.661  128.890  274.943  108.740 160.7187 168.6332 
1 1 1  -20    8   12 f  620.570   77.133   1.8586   0.4309   1.9278   0.8532   1.8349   0.4993  595.919  154.353  610.871   91.662 -14.95129 179.5181 
1 1 1  -20    8   13 o  470.625   75.710   1.0756   0.3167   0.9850   0.4563   1.1600   0.4400  439.116  112.444  479.930  102.741 -40.81323 152.3129 
1 1 1  -20    8   14 o  903.098   50.077   3.8141   0.4145   2.7084   0.5409   5.3869   0.6452  750.857   79.501  1067.75   65.988 -316.8958 103.3186 
1 1 1  -20    8   15 o  510.398   76.198   1.2579   0.3469   1.5246   0.5022   1.0146   0.4797  553.693  102.346  446.541  115.784 107.1518 154.5337 
1 1 1  -20    8   16 o  268.565   99.693   0.2792   0.3282   0.2952   0.4532   0.2616   0.4758  296.653  115.455  295.425  117.279 1.228607 164.5732 
1 1 1  -20    8   17 o  253.956  101.100   0.1750   0.3545   0.5073   0.5127  -0.1293   0.4906  345.736  125.221  245.709  108.984 100.0269 166.0054 
1 1 1  -20    8   18 o  396.704  106.325   0.7795   0.3960   1.2899   0.6186   0.4250   0.5155  504.702  131.778  332.442  124.644 172.2597 181.3877 
1 1 1  -20    8   19 o  621.062   73.620   1.8321   0.4125   1.9141   0.5854   1.7512   0.5814  625.307  105.500  596.022  110.067 29.28571 152.4627 
1 1 1  -20    8   20 o  523.073  113.615   1.3643   0.5312   1.9269   0.8183   0.9546   0.6983  612.074  147.120  443.607  146.884 168.4667 207.8923 
1 1 1  -20    8   21 o  607.564  102.802   1.8132   0.5542   1.7470   0.7922   1.8767   0.7757  580.247  147.924  603.585  142.027 -23.33801 205.0692 
1 1 1  -20    8   22 o  1265.33   74.250   7.5807   0.8607   5.8309   1.6523   8.2323   1.0083  1041.65  178.831  1313.72   83.849 -272.0685 197.5122 
1 1 1  -20    8   23 o  331.355  129.296   0.3978   0.5695   0.4266   0.7622   0.3615   0.8569  363.911  147.076  369.654  153.387 -5.743011 212.5061 
1 1 1  -20    8   24 o  244.320  105.169   0.0205   0.4278   0.1069   0.5681  -0.0927   0.6503  287.842  122.471  282.527  125.387 5.314545 175.2746 
1 1 1  -20    8   25 o  525.866  168.004   1.5732   0.9180   1.9015   1.2302   1.1608   1.3789  562.766  194.881  485.541  197.262 77.22507 277.2923 
1 1 1  -20   10    1 o  537.047   52.047   1.3654   0.2540   1.5189   0.3766   1.2373   0.3440  558.668   75.158  502.744   76.797 55.92377 107.4542 
1 1 1  -20   10    2 o  209.910   80.567   0.1516   0.2184   0.3674   0.3498   0.0138   0.2796  288.610  103.579  199.871   85.500 88.73900 134.3085 
1 1 1  -20   10    3 o  593.156   54.196   1.6635   0.2925   0.8876   0.4022   2.5352   0.4263  416.323  104.999  729.738   64.137 -313.4146 123.0378 
1 1 1  -20   10    4 f  1078.44   42.690   5.4147   0.4236   5.8058   0.6342   5.0996   0.5693  1107.66   62.474  1039.12   59.792 68.53833 86.47609 
1 1 1  -20   10    5 o  762.141   50.724   2.7282   0.3537   2.2225   0.4950   3.2558   0.5056  676.615   81.115  826.845   67.032 -150.2300 105.2280 
1 1 1  -20   10    6 o  614.417   49.689   1.7753   0.2785   1.6139   0.4678   1.8639   0.3466  570.839   92.208  626.329   60.918 -55.48926 110.5140 
1 1 1  -20   10    7 o  518.176   58.675   1.2777   0.2748   1.1968   0.4571   1.3236   0.3440  484.769  105.470  522.746   73.541 -37.97748 128.5777 
1 1 1  -20   10    8 o  287.357   89.248   0.4010   0.2608  -0.3667   0.4167   0.8955   0.3344  196.497   92.009  423.427   88.666 -226.9295 127.7784 
1 1 1  -20   10    9 o  718.068   60.564   2.4448   0.3964   2.2032   0.5542   2.6980   0.5674  668.374   92.593  744.685   84.283 -76.31140 125.2078 
1 1 1  -20   10   10 o  234.779   91.249   0.1825   0.2828   0.0897   0.4500   0.2431   0.3635  259.876  109.714  265.839  103.420 -5.963226 150.7740 
1 1 1  -20   10   11 o  396.969   81.122   0.7795   0.2863   0.5301   0.3868   1.0818   0.4258  331.197  109.300  461.833  102.847 -130.6360 150.0798 
1 1 1  -20   10   12 o  434.439   98.993   0.9521   0.3869   1.0067   0.5178   0.8829   0.5822  440.850  122.990  415.978  133.888 24.87201 181.8035 
1 1 1  -20   10   13 o  718.513   55.367   2.4303   0.3632   2.3719   0.5062   2.4922   0.5215  701.342   79.868  718.966   80.195 -17.62463 113.1816 
1 1 1  -20   10   14 o  866.295   53.613   3.5188   0.4253   4.0225   0.5968   2.9994   0.6061  920.128   71.044  788.293   84.897 131.8350 110.7012 
1 1 1  -20   10   15 o  450.771   86.037   0.9979   0.3438   1.6810   0.5079   0.4201   0.4672  583.966   97.997  320.828  118.979 263.1380 154.1408 
1 1 1  -20   10   16 o  1161.68   49.182   6.2747   0.5257   6.0244   0.7415   6.5277   0.7455  1129.51   71.712  1176.96   69.144 -47.44629 99.61694 
1 1 1  -20   10   17 o  647.781   74.343   1.9958   0.4351   1.8562   0.6933   2.0865   0.5588  606.183  128.302  655.896   95.391 -49.71313 159.8776 
1 1 1  -20   10   18 o  1091.67   54.368   5.5424   0.5461   4.7591   0.7619   6.3702   0.7832  1001.14   83.470  1163.01   73.566 -161.8680 111.2619 
1 1 1  -20   10   19 o  266.926  103.645   0.2280   0.3646  -0.0136   0.5099   0.4806   0.5215  265.152  114.473  342.813  125.960 -77.66098 170.2061 
1 1 1  -20   10   20 o  772.334   99.605   2.8938   0.6914   4.1297   0.9524   1.5172   1.0052  917.323  115.388  541.385  176.084 375.9380 210.5232 
1 1 1  -20   10   21 o  1155.42   58.470   6.2520   0.6196   7.0861   0.8814   5.4369   0.8713  1221.70   78.821  1064.50   89.786 157.1943 119.4751 
1 1 1  -20   10   22 o  931.661   69.265   4.1152   0.5896   5.2214   0.8640   3.1513   0.8065  1039.26   91.273  794.741  113.506 244.5184 145.6516 
1 1 1  -20   10   23 o  327.648  129.185   0.3819   0.5736   0.1941   0.7230   0.7008   0.9424  327.736  138.748  414.683  164.921 -86.94662 215.5221 
1 1 1  -20   10   24 o  206.975   95.837  -0.3007   0.4325  -0.2094   0.5710  -0.4235   0.6624  252.211  114.249  254.338  118.063 -2.127121 164.2916 
1 1 1  -20   12    1 o  868.942   50.706   3.5613   0.4037   3.5018   0.4458   3.8322   0.9512  858.996   56.720  852.235  125.018 6.760315 137.2833 
1 1 1  -20   12    2 o  432.556   59.699   0.9008   0.2313   0.5409   0.3297   1.2493   0.3245  327.316  100.142  506.278   71.656 -178.9621 123.1375 
1 1 1  -20   12    3 o  533.251   45.420   1.3385   0.2207   1.2459   0.3830   1.3846   0.2701  500.058   86.360  539.586   55.181 -39.52817 102.4838 
1 1 1  -20   12    4 o  137.086   62.718  -0.1124   0.1775  -0.2259   0.3362  -0.0686   0.2090  184.529   85.111  158.750   70.736 25.77930 110.6686 
1 1 1  -20   12    5 o  804.932   42.103   3.0281   0.3108   3.1580   0.5232   2.9572   0.3863  810.789   70.839  791.727   53.335 19.06104 88.67197 
1 1 1  -20   12    6 o  365.218   72.912   0.6578   0.2364   0.3203   0.3977   0.8423   0.2941  286.068  108.977  411.959   80.460 -125.8910 135.4612 
1 1 1  -20   12    7 o  1105.49   41.172   5.6913   0.4188   5.2342   0.6781   5.9733   0.5325  1045.71   70.891  1128.80   51.270 -83.08948 87.48779 
1 1 1  -20   12    8 o  1366.31   35.902   8.6672   0.4514   8.9212   0.6455   8.4243   0.6314  1379.93   50.837  1340.79   51.176 39.14233 72.13430 
1 1 1  -20   12    9 o  469.728   83.799   1.0915   0.3489   1.1214   0.5180   1.0666   0.4721  462.591  120.499  453.428  113.425 9.162933 165.4848 
1 1 1  -20   12   10 f  1200.97   40.968   6.7100   0.4527   6.1664   0.6296   7.2922   0.6515  1142.60   60.094  1245.65   56.841 -103.0530 82.71745 
1 1 1  -20   12   11 o  719.070   52.548   2.4329   0.3453   3.1046   0.4985   1.8136   0.4787  807.161   67.750  607.648   88.186 199.5127 111.2059 
1 1 1  -20   12   12 o  308.806  104.214   0.4476   0.3513   0.3174   0.4655   0.6199   0.5355  299.766  116.914  363.330  128.385 -63.56354 173.6420 
1 1 1  -20   12   13 o  906.854   49.287   3.8470   0.4097   4.3496   0.5922   3.3854   0.5675  957.671   67.636  841.784   74.017 115.8864 100.2656 
1 1 1  -20   12   14 o  801.213   54.480   3.0129   0.3993   2.7125   0.5489   3.3504   0.5818  751.171   80.678  837.425   76.346 -86.25397 111.0750 
1 1 1  -20   12   15 o  1125.82   49.050   5.8980   0.5081   5.9445   0.7047   5.8476   0.7333  1122.28   68.570  1111.60   72.084 10.67896 99.48843 
1 1 1  -20   12   16 o  445.305   99.847   0.9848   0.3990   1.2201   0.6470   0.8404   0.5069  488.305  137.928  410.998  123.820 77.30640 185.3523 
1 1 1  -20   12   17 o  935.745   58.167   4.0968   0.4984   4.6423   0.7435   3.6518   0.6715  988.297   82.516  875.114   84.443 113.1829 118.0654 
1 1 1  -20   12   18 o  1287.29   51.038   7.7012   0.6046   8.7034   0.8867   6.8308   0.8264  1360.36   71.085  1203.22   75.015 157.1432 103.3460 
1 1 1  -20   12   19 o  728.497   74.084   2.5202   0.4897   2.6910   0.6645   2.3170   0.7245  744.144   99.537  681.579  119.893 62.56506 155.8270 
1 1 1  -20   12   20 o  1344.69   77.214   8.5678   0.9514   8.2531   1.2030   9.0932   1.5546  1306.44  100.849  1353.56  126.275 -47.11890 161.6040 
1 1 1  -20   12   21 o  1128.06   60.994   5.9835   0.6308   5.7692   0.8987   6.1916   0.8855  1093.85   90.088  1136.04   85.334 -42.18921 124.0878 
1 1 1  -20   12   22 o  585.207   99.239   1.7071   0.5153   2.3332   0.7246   1.0664   0.7330  674.941  121.117  452.708  150.515 222.2327 193.1944 
1 1 1  -20   12   23 o  578.396  127.522   1.7685   0.6604   1.7228   0.8564   1.8355   1.0375  553.537  159.451  561.508  178.522 -7.971069 239.3633 
1 1 1  -20   14    1 o  610.242   54.191   1.7734   0.3011   1.8021   0.3181   1.5255   0.9348  614.137   56.934  502.965  169.998 111.1722 179.2783 
1 1 1  -20   14    2 o  345.113   89.739   0.6091   0.2876   0.5707   0.3045   0.9269   0.8759  333.727   94.749  422.153  161.511 -88.42627 187.2518 
1 1 1  -20   14    3 o  136.651   61.688  -0.0780   0.1648   0.0379   0.3046  -0.1260   0.1960  210.506   89.625  143.134   65.635 67.37183 111.0881 
1 1 1  -20   14    4 f  736.686   40.903   2.5396   0.2762   3.1201   0.5007   2.2858   0.3311  805.295   68.213  695.102   52.146 110.1932 85.86195 
1 1 1  -20   14    5 o  1363.63   35.782   8.6448   0.4490   9.3907   0.7603   8.2454   0.5563  1408.98   58.646  1327.50   45.544 81.48328 74.25311 
1 1 1  -20   14    6 o  401.569   61.673   0.7802   0.2206   0.5357   0.3036   1.0538   0.3211  325.627   95.264  461.996   78.337 -136.3696 123.3368 
1 1 1  -20   14    7 o  491.431   57.154   1.1529   0.2536   1.0014   0.3618   1.2994   0.3556  445.529   91.319  514.833   77.470 -69.30423 119.7531 
1 1 1  -20   14    8 o  623.226   51.008   1.8327   0.2900   2.3308   0.4263   1.4036   0.3956  697.323   67.265  533.495   83.304 163.8270 107.0711 
1 1 1  -20   14    9 o  316.204  100.751   0.4915   0.3303   0.1986   0.5018   0.7155   0.4388  285.765  117.870  374.328  115.684 -88.56342 165.1551 
1 1 1  -20   14   10 o  1063.03   43.347   5.2653   0.4240   4.5839   0.5784   6.0569   0.6234  982.543   64.331  1132.15   60.055 -149.6024 88.00572 
1 1 1  -20   14   11 o  1135.93   43.349   6.0084   0.4531   6.1937   0.6431   5.8256   0.6385  1145.01   61.256  1109.64   62.796 35.36780 87.72452 
1 1 1  -20   14   12 o  678.555   75.177   2.2147   0.4615   2.1637   0.5969   2.2904   0.7277  659.199  101.673  667.581  122.998 -8.382568 159.5802 
1 1 1  -20   14   13 o  146.758   70.550  -0.3960   0.2786  -0.6061   0.3851  -0.1651   0.4037  167.029   80.940  214.829   96.802 -47.80078 126.1826 
1 1 1  -20   14   14 o  726.779   61.489   2.4930   0.4074   2.0900   0.5582   2.9521   0.5958  653.193   95.710  783.253   83.978 -130.0601 127.3294 
1 1 1  -20   14   15 o  1650.21   48.046   12.658   0.7296   13.745   1.1439   11.913   0.9472  1708.38   72.768  1594.34   64.566 114.0464 97.28320 
1 1 1  -20   14   16 o  402.247  101.340   0.8055   0.3749   1.1981   0.5267   0.4021   0.5338  487.005  118.626  330.038  126.130 156.9672 173.1497 
1 1 1  -20   14   17 o  562.571   78.653   1.5196   0.3960   1.4937   0.5664   1.5444   0.5539  545.523  116.389  556.371  112.066 -10.84875 161.5711 
1 1 1  -20   14   18 o  276.037  106.377   0.2596   0.3818   0.4288   0.5318   0.0796   0.5485  333.905  126.301  285.122  120.785 48.78360 174.7599 
1 1 1  -20   14   19 o  820.436   72.719   3.1958   0.5433   2.3233   0.6753   4.7970   0.9148  684.007  111.103  993.169  101.529 -309.1620 150.5057 
1 1 1  -20   14   20 o  1310.73   70.472   8.1322   0.8468   9.9205   1.3107   6.8508   1.1095  1428.07  100.382  1184.03  102.856 244.0457 143.7220 
1 1 1  -20   14   21 o  563.966   95.276   1.5793   0.4768   1.2081   0.6321   2.0694   0.7263  478.060  136.782  630.099  129.589 -152.0393 188.4209 
1 1 1  -20   14   22 o  274.907  114.085   0.1641   0.4741   0.3052   0.6504   0.0041   0.6926  326.484  134.381  299.284  131.244 27.20020 187.8378 
1 1 1  -20   14   23 o  332.342  124.352   0.4906   0.5126   1.3481   0.7322  -0.3337   0.7178  491.162  149.002  271.472  124.901 219.6902 194.4268 
1 1 1  -20   16    1 o  388.212  135.408   0.8027   0.5944   0.6839   0.7776   0.9697   0.9220  380.850  150.330  425.320  164.917 -44.46976 223.1517 
1 1 1  -20   16    2 o  1122.68   45.000   5.9105   0.4649   6.1366   1.2166   5.8718   0.5031  1073.28  125.557  1117.07   48.940 -43.79077 134.7580 
1 1 1  -20   16    3 o  835.278   38.005   3.2524   0.2921   2.8943   0.5464   3.3958   0.3457  768.513   78.359  850.400   44.326 -81.88745 90.02709 
1 1 1  -20   16    4 o  623.456   39.824   1.8204   0.2273   2.2545   0.3332   1.4429   0.3108  689.657   52.914  547.350   62.841 142.3076 82.15158 
1 1 1  -20   16    5 o  1590.94   35.096   11.767   0.5138   12.517   0.6486   10.504   0.8418  1636.56   43.070  1487.20   61.514 149.3541 75.09332 
1 1 1  -20   16    6 o  889.418   63.447   3.7764   0.5158   3.9376   0.5735   3.0933   1.1804  905.120   69.389  719.203  179.062 185.9171 192.0363 
1 1 1  -20   16    7 o  870.839   54.612   3.5837   0.4354   3.5299   0.4634   3.9885   1.2714  862.478   58.743  831.446  171.863 31.03210 181.6250 
1 1 1  -20   16    8 o  149.132   69.419  -0.1954   0.2316  -0.3955   0.3175   0.0319   0.3384  160.416   76.630  220.602   94.212 -60.18591 121.4418 
1 1 1  -20   16    9 o  770.321   61.651   2.8207   0.4333   2.6830   0.6483   2.9320   0.5826  733.418   98.560  775.679   82.908 -42.26105 128.7936 
1 1 1  -20   16   10 o  928.359   46.069   4.0225   0.3935   3.7862   0.5543   4.2625   0.5588  890.847   68.140  947.221   64.496 -56.37415 93.82332 
1 1 1  -20   16   11 o  264.545   93.081   0.3082   0.2812   0.3917   0.4048   0.2304   0.3909  302.998  111.032  269.332  106.496 33.66562 153.8490 
1 1 1  -20   16   12 o  720.306   75.012   2.4889   0.4899   2.1713   0.6429   2.9286   0.7565  657.073  110.232  764.873  110.709 -107.8010 156.2288 
1 1 1  -20   16   13 o  687.388   59.981   2.2308   0.3756   1.9760   0.5223   2.5036   0.5405  635.711   91.964  720.494   83.040 -84.78265 123.9072 
1 1 1  -20   16   14 o  188.309   85.922  -0.1947   0.3303   0.0508   0.5085  -0.3739   0.4345  271.281  115.662  202.877   94.656 68.40398 149.4571 
1 1 1  -20   16   15 o  575.453   76.714   1.5889   0.3961   1.7742   0.5780   1.4247   0.5439  597.212  109.196  531.987  114.502 65.22485 158.2226 
1 1 1  -20   16   16 o  597.669   77.839   1.7136   0.4179   1.6073   0.5826   1.8262   0.5998  565.415  115.879  605.200  111.826 -39.78461 161.0372 
1 1 1  -20   16   17 o  373.848  107.491   0.6949   0.3895   0.2278   0.5368   1.2143   0.5660  302.303  122.978  487.314  125.480 -185.0108 175.6952 
1 1 1  -20   16   18 o  667.389   79.241   2.1395   0.4771   2.0630   0.6261   2.2454   0.7368  643.282  109.710  664.606  125.076 -21.32397 166.3740 
1 1 1  -20   16   19 o  769.182   71.394   2.8208   0.4995   3.7939   0.7402   2.0068   0.6770  883.252   92.442  626.560  121.806 256.6920 152.9126 
1 1 1  -20   16   20 o  1059.53   75.346   5.3753   0.7298   6.3625   1.0967   4.5907   0.9777  1131.83  106.552  955.510  113.415 176.3232 155.6162 
1 1 1  -20   16   21 o  429.612  113.879   0.9637   0.4575   0.8064   0.6353   1.1331   0.6593  399.191  139.945  457.734  141.857 -58.54282 199.2687 
1 1 1  -20   16   22 f  389.923  143.796   0.7554   0.6805   0.0602   0.9229   1.5839   1.0074  338.169  149.761  516.604  176.466 -178.4343 231.4491 
1 1 1  -20   18    1 o  730.670  121.997   2.8631   0.7913   3.7251   1.0650   1.8006   1.1823  809.290  148.487  525.327  190.171 283.9629 241.2743 
1 1 1  -20   18    2 o  1023.92   35.641   4.8829   0.3358   4.8521   0.4908   4.9100   0.4605  1012.07   52.882  1021.26   49.000 -9.195496 72.09354 
1 1 1  -20   18    3 o  860.033   35.553   3.4432   0.2814   3.6712   0.4728   3.3183   0.3501  877.377   58.909  840.025   45.459 37.35217 74.40961 
1 1 1  -20   18    4 o  810.741   39.578   3.0667   0.2953   2.8121   0.4903   3.2116   0.3698  762.015   70.734  825.302   48.917 -63.28656 86.00067 
1 1 1  -20   18    5 o  1154.39   37.559   6.2057   0.3990   7.1506   0.6758   5.7004   0.4943  1227.87   59.817  1101.86   48.749 126.0096 77.16600 
1 1 1  -20   18    6 o  363.558   76.615   0.6590   0.2482   0.7496   0.4097   0.6064   0.3120  379.398  110.570  344.560   95.236 34.83838 145.9300 
1 1 1  -20   18    7 o  922.081   42.188   3.9668   0.3579   3.9591   0.5288   3.9734   0.4863  911.250   63.458  915.511   58.029 -4.260925 85.98981 
1 1 1  -20   18    8 o  219.202   84.642   0.1644   0.2421   0.2550   0.3684   0.0956   0.3212  267.646  104.115  226.564   93.949 41.08185 140.2368 
1 1 1  -20   18    9 o  268.052  100.012   0.2889   0.3311  -0.2170   0.5233   0.6266   0.4275  240.135  109.016  354.120  114.814 -113.9850 158.3246 
1 1 1  -20   18   10 o  343.700   91.462   0.5932   0.2943   0.5175   0.4136   0.6708   0.4190  330.236  113.066  364.931  113.091 -34.69559 159.9173 
1 1 1  -20   18   11 o  334.085  115.509   0.5215   0.4321   0.2182   0.4690   2.2225   1.1108  284.304  115.209  624.016  182.132 -339.7120 215.5111 
1 1 1  -20   18   12 o  340.617  119.110   0.5326   0.4601   0.4175   0.5050   1.0950   1.1161  325.044  123.041  480.005  182.629 -154.9603 220.2096 
1 1 1  -20   18   13 o  611.480   74.010   1.7912   0.4080   1.8525   0.6120   1.7422   0.5473  606.807  113.790  591.934  104.283 14.87323 154.3475 
1 1 1  -20   18   14 o  479.492   85.463   1.1248   0.3632   1.1894   0.5258   1.0657   0.5025  482.993  119.059  457.423  118.440 25.56992 167.9381 
1 1 1  -20   18   15 o  312.182  104.162   0.4542   0.3509   0.7089   0.4980   0.2029   0.4946  381.030  123.936  289.333  117.911 91.69635 171.0652 
1 1 1  -20   18   16 o  717.417   69.542   2.4471   0.4533   2.9338   0.6570   2.0049   0.6263  776.476   93.862  632.676  111.654 143.7996 145.8656 
1 1 1  -20   18   17 f  271.205  108.480   0.2098   0.4100   0.4821   0.5446  -0.1463   0.6229  341.684  128.115  273.693  122.016 67.99078 176.9225 
1 1 1  -20   18   18 o  404.180  111.435   0.8347   0.4278   1.3187   0.6157   0.3829   0.5949  500.423  131.862  331.686  131.310 168.7364 186.0910 
1 1 1  -20   18   19 o  500.130   96.145   1.2579   0.4264   0.8879   0.5789   1.6968   0.6304  413.718  133.548  569.025  123.910 -155.3069 182.1776 
1 1 1  -20   18   20 f  612.159  116.969   1.9562   0.6349   1.6090   0.8913   2.3138   0.9044  527.661  165.181  640.009  155.182 -112.3475 226.6412 
1 1 1  -20   18   21 o  226.372  101.375  -0.1108   0.4352   0.3921   0.6318  -0.5649   0.6003  330.027  133.721  226.584  107.416 103.4431 171.5218 
1 1 1  -20   20    1 o  841.250   38.304   3.3027   0.2965   2.9117   0.3903   3.8363   0.4560  782.509   54.545  898.200   55.442 -115.6905 77.77502 
1 1 1  -20   20    2 o  437.237   48.104   0.9089   0.1903   0.9769   0.3137   0.8693   0.2394  441.846   80.113  422.521   63.554 19.32568 102.2603 
1 1 1  -20   20    3 o  687.010   40.353   2.2112   0.2540   1.6609   0.4170   2.5357   0.3202  579.411   80.379  733.309   47.717 -153.8984 93.47511 
1 1 1  -20   20    4 o  691.855   43.562   2.2474   0.2759   1.8540   0.4509   2.4829   0.3489  612.468   82.065  724.031   52.725 -111.5628 97.54270 
1 1 1  -20   20    5 o  210.516   80.548   0.1582   0.2179  -0.1587   0.3752   0.3194   0.2676  204.206   92.549  263.202   90.910 -58.99623 129.7301 
1 1 1  -20   20    6 o  132.482   63.316  -0.2804   0.2173  -0.0419   0.3842  -0.3925   0.2635  222.248   97.597  140.248   67.717 81.99994 118.7886 
1 1 1  -20   20    7 o  571.814   60.091   1.5606   0.3114   1.5144   0.5164   1.5870   0.3905  543.230  107.108  570.611   76.277 -27.38141 131.4923 
1 1 1  -20   20    8 o  412.763   81.678   0.8458   0.2992   1.0460   0.5055   0.7377   0.3713  446.580  120.313  379.822  103.437 66.75830 158.6640 
1 1 1  -20   20    9 o  526.139   99.772   1.3926   0.4654  -0.7364   1.1670   1.7952   0.5075  327.798  153.648  601.285   94.862 -273.4868 180.5721 
1 1 1  -20   20   10 o  412.967   97.498   0.8599   0.3646   0.7028   0.6371   0.9364   0.4445  387.085  139.681  427.500  111.749 -40.41559 178.8810 
1 1 1  -20   20   11 o  265.646  111.871   0.0951   0.4660   0.8008   0.6876  -0.5046   0.6338  408.489  145.361  244.061  114.023 164.4279 184.7457 
1 1 1  -20   20   12 o  1313.13   46.237   8.0262   0.5587   7.7505   0.7981   8.2912   0.7823  1280.11   67.998  1327.58   64.042 -47.46472 93.40848 
1 1 1  -20   20   13 o  199.145   89.035  -0.1171   0.3342   0.5808   0.4990  -0.6849   0.4501  354.132  124.031  181.714   87.923 172.4174 152.0333 
1 1 1  -20   20   14 o  336.269  106.868   0.5508   0.3718   1.1545   0.5392   0.0036   0.5134  472.890  122.818  264.941  114.621 207.9482 167.9948 
1 1 1  -20   20   15 o  296.500  112.844   0.3349   0.4262   1.3411   0.6384  -0.4742   0.5724  504.870  134.861  231.205  108.130 273.6641 172.8571 
1 1 1  -20   20   16 o  449.715  130.775   1.0588   0.5736   1.0588   0.5736   0.0000   0.0000  449.715  130.775  ?   ?  0.000000 130.7747 
1 1 1  -20   20   17 o  438.970  126.915   1.0138   0.5417   0.7031   0.5854   2.8630   1.4281  380.053  134.241  677.109  208.616 -297.0560 248.0757 
1 1 1  -20   20   18 o  317.142  116.277   0.4492   0.4440   0.7741   0.6187   0.1041   0.6377  391.634  138.042  298.331  128.409 93.30344 188.5318 
1 1 1  -20   20   19 o  246.008  104.809   0.0728   0.4170  -0.1027   0.5814   0.2587   0.5985  262.297  117.340  307.615  127.960 -45.31744 173.6160 
1 1 1  -20   20   20 o  214.526  102.206  -0.5725   0.5570   0.2178   0.8972  -1.0682   0.7105  343.037  149.927  219.775  107.271 123.2621 184.3510 
1 1 1  -20   22    1 o  311.111   75.533   0.4855   0.2141   0.2393   0.2623   0.9763   0.3704  241.107   89.204  436.209   94.974 -195.1025 130.2972 
1 1 1  -20   22    2 o  842.256   42.112   3.3142   0.3264   3.3084   0.4918   3.3187   0.4363  830.674   64.857  835.767   57.072 -5.092834 86.39239 
1 1 1  -20   22    3 o  681.584   47.759   2.1884   0.2976   1.9695   0.4918   2.3148   0.3739  629.644   87.234  696.966   58.846 -67.32208 105.2268 
1 1 1  -20   22    4 o  782.709   43.479   2.8700   0.3119   3.0419   0.5611   2.7932   0.3752  790.584   78.149  768.647   53.385 21.93732 94.64268 
1 1 1  -20   22    5 o  396.842   71.444   0.7733   0.2513   0.7704   0.4584   0.7745   0.3005  385.352  118.106  392.547   85.593 -7.195007 145.8602 
1 1 1  -20   22    6 o  906.456   47.080   3.8515   0.3913   3.9295   0.7116   3.8177   0.4686  895.879   87.434  898.628   56.960 -2.749695 104.3515 
1 1 1  -20   22    7 o  649.985   58.510   2.0050   0.3462   1.0460   0.5848   2.5225   0.4296  444.189  132.807  727.219   64.874 -283.0302 147.8052 
1 1 1  -20   22    8 o  365.573  113.990   0.6744   0.4249   0.0000   0.0000   0.6744   0.4249  ?   ?   365.573  113.990 0.000000 113.9897 
1 1 1  -20   22    9 o  652.779   64.182   2.0300   0.3805   2.3237   0.7319   1.9212   0.4455  670.935  123.092  629.557   78.613 41.37848 146.0538 
1 1 1  -20   22   10 o  174.789   80.090  -0.1826   0.2910  -0.1804   0.4979  -0.1838   0.3587  238.579  107.506  197.960   90.019 40.61876 140.2171 
1 1 1  -20   22   11 o  553.724  106.317   1.5505   0.5220   2.0189   0.6948   0.9436   0.7909  623.976  125.370  435.012  155.781 188.9644 199.9637 
1 1 1  -20   22   12 o  1005.22   57.530   4.7599   0.5299   4.2363   0.8148   5.1438   0.6976  928.552   96.787  1037.57   73.546 -109.0233 121.5602 
1 1 1  -20   22   13 o  715.693   75.013   2.4655   0.4867   1.5169   0.6822   3.4484   0.6944  532.595  138.062  839.304   91.396 -306.7089 165.5727 
1 1 1  -20   22   14 o  631.896   87.069   1.9615   0.4928   2.2273   0.7399   1.7495   0.6607  652.173  127.860  576.242  127.943 75.93152 180.8798 
1 1 1  -20   22   15 o  1053.21   65.865   5.2843   0.6351   5.4303   0.9368   5.1601   0.8639  1046.19   98.476  1023.85   92.709 22.33990 135.2493 
1 1 1  -20   22   16 o  393.327  114.680   0.8094   0.4406   0.7684   0.7068   0.8355   0.5635  394.970  146.370  399.372  131.928 -4.401733 197.0511 
1 1 1  -20   22   17 o  665.157   83.992   2.1913   0.5026   2.5187   0.7558   1.9317   0.6730  687.187  124.092  598.487  126.182 88.69989 176.9763 
1 1 1  -20   22   18 o  769.970   79.881   2.9274   0.5577   3.2291   0.8193   2.6668   0.7613  779.895  117.847  704.528  121.847 75.36737 169.5128 
1 1 1  -20   22   19 o  377.122  135.334   0.7604   0.5972   1.6707   1.0387   0.3110   0.7299  507.188  178.855  326.775  138.926 180.4129 226.4714 
1 1 1  -20   24    1 o  844.635   47.353   3.3593   0.3665   3.0773   0.4586   3.8583   0.6100  801.400   62.684  890.398   75.157 -88.99780 97.86640 
1 1 1  -20   24    2 o  506.169   66.483   1.2427   0.3022   0.7854   0.3695   2.1664   0.5251  388.631  102.021  659.068   88.845 -270.4372 135.2844 
1 1 1  -20   24    3 o  328.840   88.936   0.5489   0.2756   0.8794   0.3928   0.2286   0.3867  411.225  103.804  264.998  105.568 146.2266 148.0539 
1 1 1  -20   24    4 o  966.821   45.512   4.3735   0.4049   4.6006   0.6205   4.2050   0.5343  978.741   69.346  939.417   62.165 39.32343 93.13084 
1 1 1  -20   24    5 o  520.502   63.511   1.3032   0.2979   1.4342   0.4759   1.2189   0.3820  530.183  101.237  493.960   87.224 36.22302 133.6299 
1 1 1  -20   24    6 o  456.535   73.562   1.0206   0.2985   0.5199   0.4693   1.3610   0.3869  333.753  119.942  524.818   82.870 -191.0648 145.7861 
1 1 1  -20   24    7 o  234.129   91.088   0.1852   0.2820   0.3140   0.4644   0.1099   0.3549  296.069  116.400  238.038   98.739 58.03085 152.6384 
1 1 1  -20   24    8 o  865.918   79.830   3.6386   0.6289   3.8829   1.4908   3.5857   0.6937  790.926  203.627  853.909   89.618 -62.98328 222.4755 
1 1 1  -20   24    9 o  375.457   96.035   0.7179   0.3331   0.6949   0.5184   0.7340   0.4347  372.531  126.596  377.761  114.861 -5.229248 170.9375 
1 1 1  -20   24   10 o  594.427   99.109   1.7799   0.5230   2.2392   0.6987   1.1946   0.7888  655.957  120.184  467.492  156.165 188.4646 197.0577 
1 1 1  -20   24   11 o  723.005   72.276   2.5218   0.4744   2.8873   0.7304   2.2551   0.6239  753.723  108.436  666.637  105.201 87.08600 151.0813 
1 1 1  -20   24   12 o  587.124   83.365   1.6999   0.4377   1.1946   0.7012   2.0226   0.5603  465.875  146.618  632.938   99.490 -167.0629 177.1866 
1 1 1  -20   24   13 o  798.711   76.150   3.1007   0.5529   2.0321   0.8126   4.0217   0.7544  601.635  147.843  899.638   92.447 -298.0028 174.3672 
1 1 1  -20   24   14 o  223.810   97.719  -0.0148   0.3803  -0.3700   0.6074   0.2142   0.4877  243.137  112.929  281.577  116.180 -38.44070 162.0205 
1 1 1  -20   24   15 o  278.217  111.392   0.2663   0.4328   0.6606   0.6876   0.0076   0.5569  370.723  142.788  267.105  117.396 103.6177 184.8513 
1 1 1  -20   24   16 o  855.180   78.542   3.6136   0.6111   4.2922   0.9883   3.1933   0.7777  890.125  124.028  777.191  111.977 112.9348 167.0979 
1 1 1  -20   24   17 o  589.336  105.571   1.8419   0.5515   1.5850   0.8466   2.0313   0.7268  501.908  161.443  594.626  135.819 -92.71786 210.9754 
1 1 1  -20   26    1 o  693.756   58.410   2.3114   0.3694   2.3708   0.4552   2.1965   0.6323  695.180   72.207  643.318  110.814 51.86206 132.2632 
1 1 1  -20   26    2 o  1137.58   52.061   6.1229   0.5450   5.9348   0.7124   6.3882   0.8460  1105.53   70.402  1137.25   81.384 -31.72107 107.6093 
1 1 1  -20   26    3 o  779.906   57.728   2.9065   0.4113   2.3617   0.5250   3.7727   0.6620  687.985   84.721  872.272   83.494 -184.2877 118.9493 
1 1 1  -20   26    4 o  235.429   92.546   0.1887   0.2936  -0.0053   0.3892   0.4448   0.4471  226.660   98.912  312.463  116.297 -85.80386 152.6715 
1 1 1  -20   26    5 o  423.088   90.412   0.9156   0.3413   1.1361   0.4849   0.6990   0.4805  460.523  114.822  365.822  121.877 94.70132 167.4452 
1 1 1  -20   26    6 o  655.350   68.667   2.0824   0.4079   2.1662   0.5952   2.0082   0.5602  648.977  103.113  625.950  100.679 23.02710 144.1134 
1 1 1  -20   26    7 o  383.342  122.162   0.7798   0.4856  -0.5315   1.2866   0.9976   0.5244  342.821  160.893  428.370  125.170 -85.54916 203.8478 
1 1 1  -20   26    8 o  423.477   93.152   0.9208   0.3531   0.7644   0.5534   1.0283   0.4586  381.549  130.787  439.288  112.858 -57.73938 172.7491 
1 1 1  -20   26    9 o  187.749   85.691  -0.1672   0.3289   0.4938   0.5527  -0.5294   0.4092  333.660  128.142  177.874   85.505 155.7856 154.0508 
1 1 1  -20   26   10 o  285.144  114.171   0.2844   0.4547   0.1060   0.5281   0.7957   0.8939  273.142  117.192  403.136  160.532 -129.9935 198.7571 
1 1 1  -20   26   11 o  300.040  107.915   0.4250   0.3799  -0.1352   0.5937   0.8135   0.4944  259.102  117.014  387.987  123.232 -128.8853 169.9367 
1 1 1  -20   26   12 o  578.379   90.214   1.7020   0.4645   0.9280   0.7501   2.1834   0.5915  409.198  150.955  647.887  102.638 -238.6889 182.5432 
1 1 1  -20   26   13 o  226.945  101.121  -0.0631   0.4272  -0.2530   0.6637   0.0712   0.5582  260.103  119.830  271.440  118.459 -11.33701 168.4983 
1 1 1  -20   26   14 o  615.667   94.553   1.9663   0.5185   2.9979   0.8597   1.3765   0.6501  725.410  133.724  481.929  138.955 243.4807 192.8485 
1 1 1  -20   26   15 o  198.456   93.264  -0.3345   0.4347  -1.1502   0.7070   0.1615   0.5513  210.430  103.582  277.277  119.369 -66.84671 158.0450 
1 1 1  -20   26   16 o  423.072  128.399   1.0514   0.5436   2.1022   1.0112   0.6243   0.6447  545.577  176.544  348.014  137.038 197.5628 223.4885 
1 1 1  -20   28    1 o  543.415   75.445   1.4931   0.3671   1.2625   0.4391   2.0281   0.6689  481.482  102.269  590.886  126.810 -109.4037 162.9106 
1 1 1  -20   28    2 o  1100.76   56.788   5.8413   0.5732   4.7828   0.6722   8.6625   1.0974  979.103   75.188  1293.68   92.808 -314.5786 119.4423 
1 1 1  -20   28    3 o  148.695   72.636  -0.5444   0.3276  -0.5097   0.3907  -0.6267   0.6016  171.125   82.583  216.455  103.952 -45.33014 132.7632 
1 1 1  -20   28    4 o  641.838   78.205   2.0698   0.4523   2.4961   0.6013   1.5142   0.6865  690.576   97.327  499.902  142.374 190.6739 172.4615 
1 1 1  -20   28    5 o  186.508   86.577  -0.2307   0.3562  -0.0151   0.4874  -0.4780   0.5219  244.713  108.579  209.283   99.488 35.43059 147.2660 
1 1 1  -20   28    6 o  448.736  128.961   1.1649   0.5608   2.1232   1.6285   1.0360   0.5973  510.960  211.686  420.535  135.644 90.42484 251.4163 
1 1 1  -20   28    7 o  451.047  139.406   1.2140   0.6372   1.3764   0.6840   0.1474   1.7524  476.552  143.890  394.395  185.931 82.15710 235.1057 
1 1 1  -20   28    8 o  274.229  105.554   0.3239   0.3756   0.6294   0.5483   0.0538   0.5155  346.321  128.805  258.454  113.285 87.86664 171.5347 
1 1 1  -20   28    9 o  563.275  116.192   1.7592   0.5822   1.9143   0.6858   1.3588   1.1017  573.450  132.619  450.050  178.529 123.4003 222.3970 
1 1 1  -20   28   10 o  500.902  125.846   1.4504   0.5793   2.0270   0.7542   0.6207   0.9047  578.641  142.573  365.519  155.003 213.1213 210.6018 
1 1 1  -20   28   11 o  398.492  113.931   0.8984   0.4387   1.2575   0.7428   0.7060   0.5437  443.180  151.523  355.404  128.915 87.77582 198.9431 
1 1 1  -20   28   12 o  486.123  107.289   1.3097   0.4671   2.5952   0.8471   0.7483   0.5598  647.280  145.740  361.029  130.835 286.2509 195.8517 
1 1 1  -20   28   13 o  236.472  104.047   0.0365   0.4385   0.5573   0.7265  -0.2621   0.5500  338.750  140.951  229.385  106.848 109.3640 176.8721 
1 1 1  -20   30    1 o  371.072  107.498   0.8221   0.3882   0.8981   0.4569   0.6246   0.7363  378.938  118.207  327.923  139.478 51.01450 182.8304 
1 1 1  -20   30    2 o  395.907  107.705   0.9244   0.4028   1.3298   0.4922   0.1027   0.7008  470.846  114.672  276.890  125.877 193.9561 170.2784 
1 1 1  -20   30    3 f  202.410   91.904  -0.0817   0.3721  -0.4375   0.4572   0.6160   0.6404  190.111   91.122  329.301  134.178 -139.1902 162.1942 
1 1 1  -20   30    4 o  388.875  112.075   0.8958   0.4230   0.6733   0.5499   1.2184   0.6619  336.972  128.196  423.422  143.052 -86.44946 192.0887 
1 1 1  -20   30    5 o  432.876  143.117   1.2656   0.6630   2.3478   1.6196   1.0477   0.7267  464.463  202.260  392.255  147.814 72.20801 250.5157 
1 1 1  -20   30    6 o  375.663  136.190   0.9025   0.6067  -0.8741   1.5271   1.2354   0.6611  310.327  152.653  428.443  142.968 -118.1165 209.1483 
1 1 1  -20   30    7 o  352.217  117.297   0.7381   0.4451   0.0941   0.6082   1.4807   0.6531  267.897  119.916  474.140  140.022 -206.2428 184.3536 
1 1 1  -20   30    8 o  244.608  111.847  -0.0705   0.5635  -0.4866   0.5866   4.9169   2.0307  215.981  103.438  597.500  240.564 -381.5186 261.8604 
1 1 1  -20   30    9 o  650.417   91.713   2.2788   0.5337   2.0745   0.7545   2.4832   0.7549  558.291  145.420  629.822  134.360 -71.53064 197.9886 
1 1 1  -20   30   10 o  294.395  114.599   0.4489   0.4466   0.3582   0.6577   0.5265   0.6083  300.200  129.807  316.854  130.131 -16.65491 183.8035 
1 1 1  -20   30   11 o  333.935  155.061   0.3510   1.1439  -0.3115   1.7346   0.8609   1.5218  336.157  164.821  374.381  175.474 -38.22409 240.7424 
1 1 1  -20   32    1 o  253.723  122.029  -0.1322   0.8360   0.0000   0.0000  -0.1322   0.8360  ?   ?   253.723  122.029 0.000000 122.0285 
1 1 1  -20   32    2 o  186.829   89.389  -0.3176   0.4357  -0.3607   0.4456   0.6178   2.0779  185.691   89.253  322.255  161.643 -136.5647 184.6471 
1 1 1  -20   32    3 o  560.276  117.158   2.0105   0.5846   2.0253   0.6134   1.8640   1.9291  552.765  123.691  359.677  175.815 193.0878 214.9662 
1 1 1  -20   32    4 o  332.915  140.669   0.8225   0.7408   0.0074   1.6149   1.0398   0.8337  308.610  152.770  353.363  149.265 -44.75363 213.5850 
1 1 1  -20   32    5 o  285.632  144.711  -1.6980   1.9152   0.0000   0.0000  -1.6980   1.9152  ?   ?   285.632  144.711 0.000000 144.7113 
1 1 1  -20   32    6 o  451.540  193.297   2.7383   1.4308   0.8307   1.9433   4.9966   2.1144  342.644  169.243  488.842  220.792 -146.1974 278.1942 
1 1 1  -20   32    7 o  288.693  145.768  -1.5458   1.8456  -1.5458   1.8456   0.0000   0.0000  288.693  145.768  ?   ?  0.000000 145.7681 
1 1 1  -19    1    1 o  770.473   48.129   2.7638   0.3395   2.8291   0.4957   2.7061   0.4660  774.458   70.320  758.034   67.513 16.42401 97.48302 
1 1 1  -19    1    2 o  431.878   81.927   0.9042   0.3137   0.5684   0.5315   1.0837   0.3886  361.393  127.881  471.076   92.939 -109.6830 158.0862 
1 1 1  -19    1    3 o  1276.39   46.889   7.5471   0.5507   7.3819   0.9571   7.6288   0.6733  1250.44   83.663  1281.17   57.117 -30.72388 101.3012 
1 1 1  -19    1    4 o  955.649   50.525   4.2467   0.4427   3.4209   0.7165   4.7566   0.5630  846.109   93.600  1009.20   60.918 -163.0934 111.6778 
1 1 1  -19    1    5 o  1242.55   48.172   7.1560   0.5508   7.3585   0.9578   7.0559   0.6732  1248.10   83.884  1231.48   59.411 16.62646 102.7915 
1 1 1  -19    1    6 o  375.094  114.820   0.6812   0.4334   0.5017   0.5993   0.8780   0.6276  358.898  134.430  427.098  139.140 -68.20007 193.4720 
1 1 1  -19    1    7 o  707.335   65.294   2.3557   0.4202   2.4562   0.5147   2.1549   0.7274  718.646   79.153  657.043  124.883 61.60303 147.8544 
1 1 1  -19    1    8 o  717.688   58.558   2.4161   0.3833   2.5847   0.5490   2.2556   0.5355  735.792   82.509  685.422   86.854 50.37067 119.7974 
1 1 1  -19    1    9 o  1142.20   55.745   6.0805   0.5859   5.7617   0.6979   6.8414   1.0781  1106.10   68.916  1191.46   99.241 -85.35974 120.8229 
1 1 1  -19    1   10 o  555.755  104.861   1.5349   0.5166   3.1148   0.8488   0.6056   0.6510  789.547  120.669  378.011  140.399 411.5356 185.1295 
1 1 1  -19    1   11 o  319.737  101.555   0.4914   0.3358   0.2018   0.4809   0.7670   0.4691  286.021  116.381  391.659  119.365 -105.6378 166.7108 
1 1 1  -19    1   12 o  291.876  101.607   0.3806   0.3346   0.1892   0.4896   0.5484   0.4584  285.345  116.916  343.756  118.966 -58.41071 166.8001 
1 1 1  -19    1   13 o  753.262   67.401   2.6954   0.4622   2.4284   0.6457   2.9762   0.6620  700.049  103.345  780.712   94.047 -80.66290 139.7321 
1 1 1  -19    1   14 o  286.706  106.045   0.3321   0.3706   0.5444   0.5231   0.1180   0.5253  349.944  126.520  282.695  118.893 67.24835 173.6172 
1 1 1  -19    1   15 o  276.914   98.344   0.3301   0.3146   1.0733   0.5284  -0.0780   0.3915  457.175  122.933  222.561   98.105 234.6135 157.2804 
1 1 1  -19    1   16 o  161.632   75.709  -0.2703   0.2825   0.0632   0.4292  -0.5252   0.3753  253.159  107.027  170.481   81.934 82.67834 134.7886 
1 1 1  -19    1   17 o  1149.00   48.057   6.1382   0.5081   6.1141   0.7242   6.1615   0.7130  1138.32   69.472  1143.29   68.086 -4.974365 97.27309 
1 1 1  -19    1   18 o  880.740   54.638   3.6253   0.4406   2.9937   0.6051   4.3380   0.6428  791.247   84.415  957.987   73.484 -166.7399 111.9193 
1 1 1  -19    1   19 o  399.958   98.791   0.7903   0.3614   1.0707   0.5287   0.5442   0.4953  462.078  122.393  351.599  123.546 110.4792 173.9070 
1 1 1  -19    1   20 o  1174.53   63.829   6.4520   0.6872   6.5755   0.9676   6.3263   0.9763  1176.40   90.072  1152.64   92.836 23.75732 129.3503 
1 1 1  -19    1   21 o  403.099  104.059   0.8045   0.3886   0.3402   0.5158   1.4136   0.5909  318.370  123.379  530.529  123.380 -212.1593 174.4851 
1 1 1  -19    1   22 o  817.176  129.240   3.3336   0.9395   2.8996   1.2573   3.8823   1.4137  732.920  186.089  850.928  185.760 -118.0073 262.9372 
1 1 1  -19    1   23 o  353.246  113.834   0.6002   0.4207   0.4430   0.5367   0.8507   0.6776  336.399  126.968  420.810  144.701 -84.41095 192.5077 
1 1 1  -19    1   24 o  348.167  114.830   0.5841   0.4269   1.0463   0.5642  -0.0350   0.6530  450.030  129.368  291.743  127.698 158.2879 181.7770 
1 1 1  -19    1   25 o  805.521   73.790   3.1138   0.5409   3.0618   0.7039   3.1888   0.8452  785.828   99.575  789.910  120.059 -4.081299 155.9789 
1 1 1  -19    3    1 o  1174.76   46.303   6.4009   0.5005   5.6877   0.8198   6.8248   0.6320  1095.20   81.941  1210.59   56.734 -115.3861 99.66492 
1 1 1  -19    3    2 f  973.433   49.284   4.4075   0.4400   4.2330   0.7222   4.5106   0.5549  944.191   83.997  981.771   61.740 -37.58014 104.2461 
1 1 1  -19    3    3 o  1545.52   43.376   11.059   0.6169   11.104   1.0398   11.034   0.7663  1539.71   73.390  1541.15   54.036 -1.438110 91.13708 
1 1 1  -19    3    4 f  252.441   88.840   0.2676   0.2562   0.4727   0.3802   0.0971   0.3466  322.632  108.416  238.413   98.112 84.21973 146.2190 
1 1 1  -19    3    5 o  1466.05   40.318   9.9434   0.5439   10.528   0.7905   9.4175   0.7495  1504.39   57.104  1422.78   57.250 81.61206 80.86015 
1 1 1  -19    3    6 o  182.199   79.775  -0.0513   0.2550   0.0731   0.3902  -0.1440   0.3369  246.294  102.962  198.001   88.898 48.29260 136.0292 
1 1 1  -19    3    7 o  1188.99   66.422   6.6312   0.7238   5.7389   0.9836   7.6849   1.0689  1093.04   98.867  1269.35   92.143 -176.3151 135.1477 
1 1 1  -19    3    8 o  830.213  112.748   3.3837   0.8390   3.3837   0.8390   0.0000   0.0000  830.213  112.748  ?   ?  0.000000 112.7481 
1 1 1  -19    3    9 o  884.257   60.096   3.6706   0.4861   3.8783   0.6052   3.2933   0.8159  904.712   73.330  817.810  111.310 86.90125 133.2938 
1 1 1  -19    3   10 o  1225.86   49.171   6.9941   0.5546   7.6444   0.7857   6.3481   0.7830  1273.58   67.287  1157.40   73.911 116.1844 99.95184 
1 1 1  -19    3   11 o  327.732  108.632   0.5083   0.3819   0.2426   0.5877   0.7026   0.5025  312.930  128.142  379.326  124.551 -66.39600 178.6990 
1 1 1  -19    3   12 f  866.777   60.068   3.5404   0.4761   4.0870   0.6963   3.0605   0.6525  922.046   82.961  793.397   91.027 128.6485 123.1598 
1 1 1  -19    3   13 o  475.984   79.461   1.1048   0.3358   1.0232   0.5242   1.1616   0.4372  445.498  123.558  480.657  102.008 -35.15872 160.2256 
1 1 1  -19    3   14 o  716.378   58.836   2.4209   0.3844   2.6479   0.6202   2.2794   0.4898  736.164   93.685  688.291   78.761 47.87378 122.3935 
1 1 1  -19    3   15 o  623.365   67.738   1.8505   0.3823   2.2376   0.6270   1.6213   0.4823  671.757  104.856  573.844   94.645 97.91248 141.2533 
1 1 1  -19    3   16 o  312.675  102.409   0.4612   0.3398  -0.3307   0.5279   1.0214   0.4440  233.320  107.261  449.820  108.518 -216.4991 152.5811 
1 1 1  -19    3   17 o  1218.45   53.630   6.9199   0.6013   6.8881   0.9680   6.9398   0.7672  1199.56   88.323  1213.24   69.010 -13.68420 112.0863 
1 1 1  -19    3   18 o  239.823   98.178   0.1120   0.3449  -0.1818   0.4871   0.4071   0.4883  238.792  107.075  323.881  121.333 -85.08871 161.8231 
1 1 1  -19    3   19 o  322.640  105.944   0.4823   0.3636   0.6761   0.5225   0.3004   0.5062  380.243  127.095  309.949  121.631 70.29395 175.9181 
1 1 1  -19    3   20 o  478.406   97.993   1.1238   0.4169   1.0195   0.5473   1.2681   0.6434  451.696  126.588  500.885  136.073 -49.18842 185.8504 
1 1 1  -19    3   21 o  790.715   61.588   2.9322   0.4446   3.3793   0.5976   2.3782   0.6653  844.651   77.763  697.852  107.018 146.7988 132.2871 
1 1 1  -19    3   22 o  253.482  109.514  -0.0165   0.4674   0.5277   0.6447  -0.6192   0.6785  367.386  139.036  249.177  116.910 118.2095 181.6564 
1 1 1  -19    3   23 o  928.232   76.804   4.0981   0.6501   4.1549   0.8194   4.0018   1.0680  925.542   97.694  888.349  134.889 37.19336 166.5501 
1 1 1  -19    3   24 o  702.865   78.450   2.3771   0.4987   2.0301   0.6366   2.9281   0.8024  634.182  113.254  761.572  118.337 -127.3907 163.7989 
1 1 1  -19    3   25 o  590.415   93.162   1.7294   0.4893   1.7519   0.6344   1.6964   0.7689  580.016  122.696  557.931  147.521 22.08557 191.8772 
1 1 1  -19    5    1 o  1252.76   39.072   7.2672   0.4504   7.5720   0.6429   6.9734   0.6312  1274.83   54.809  1223.03   56.085 51.79492 78.41870 
1 1 1  -19    5    2 o  2362.91   35.248   25.814   0.7664   25.705   1.0907   25.920   1.0770  2351.93   50.400  2362.15   49.552 -10.22681 70.67883 
1 1 1  -19    5    3 o  896.714   43.889   3.7266   0.3621   4.4967   0.5422   3.1065   0.4866  980.058   60.421  812.571   65.634 167.4875 89.21062 
1 1 1  -19    5    4 o  1005.00   43.288   4.6795   0.4003   4.6768   0.5759   4.6821   0.5569  998.943   62.972  1000.14   60.798 -1.193359 87.53236 
1 1 1  -19    5    5 o  1276.48   41.480   7.5456   0.4872   7.5383   0.6958   7.5527   0.6824  1271.49   59.473  1273.05   58.255 -1.558960 83.25068 
1 1 1  -19    5    6 o  480.440   80.514   1.1161   0.3433   1.6532   0.4647   0.4704   0.5095  584.320   89.260  338.720  124.500 245.6006 153.1915 
1 1 1  -19    5    7 o  1271.37   49.769   7.5126   0.5822   7.1137   0.7145   8.3011   1.0045  1231.80   63.249  1322.21   82.986 -90.41467 104.3412 
1 1 1  -19    5    8 o  347.036  104.086   0.5895   0.3588   0.9408   0.4226  -0.3174   0.6790  433.223  106.711  272.594  123.914 160.6297 163.5296 
1 1 1  -19    5    9 o  1350.92   46.113   8.4816   0.5732   8.7283   0.8155   8.2405   0.8059  1363.70   64.987  1324.59   66.122 39.11499 92.71181 
1 1 1  -19    5   10 o  148.687   71.715  -0.4399   0.2936  -0.0413   0.4426  -0.7532   0.3924  241.926  105.534  159.476   78.233 82.44963 131.3691 
1 1 1  -19    5   11 o  314.548  108.477   0.4533   0.3810   0.1841   0.6254   0.6121   0.4804  311.532  130.297  358.522  121.860 -46.98962 178.4016 
1 1 1  -19    5   12 o  719.378   66.128   2.4588   0.4328   2.6299   0.9530   2.4144   0.4858  701.161  152.081  709.396   75.592 -8.234924 169.8313 
1 1 1  -19    5   13 o  401.178  101.413   0.8127   0.3746   1.4725   0.8090   0.6327   0.4226  522.874  156.176  358.179  113.944 164.6948 193.3234 
1 1 1  -19    5   14 o  200.942   87.710  -0.0400   0.3062   0.0027   0.5106  -0.0639   0.3826  264.204  114.309  221.472   97.320 42.73215 150.1254 
1 1 1  -19    5   15 o  979.658   55.527   4.5008   0.4985   4.1021   0.8172   4.7371   0.6291  916.740   98.415  1000.14   68.775 -83.39740 120.0645 
1 1 1  -19    5   16 o  546.650   71.607   1.4316   0.3515   1.4549   0.4874   1.4063   0.5075  541.058  101.623  529.493  107.828 11.56537 148.1697 
1 1 1  -19    5   17 o  798.633   57.715   2.9931   0.4213   2.8074   0.5967   3.1776   0.5948  764.083   86.393  815.749   80.281 -51.66626 117.9358 
1 1 1  -19    5   18 o  396.812   95.842   0.7792   0.3460   0.3765   0.4825   1.2056   0.4965  317.625  120.261  490.825  112.354 -173.2007 164.5788 
1 1 1  -19    5   19 o  1075.73   60.724   5.4096   0.5986   5.5732   0.9362   5.2965   0.7786  1079.73   95.207  1058.06   80.574 21.67310 124.7260 
1 1 1  -19    5   20 o  1157.69   59.895   6.2590   0.6359   5.8528   0.8207   6.8687   1.0056  1112.65   80.714  1201.27   91.668 -88.61804 122.1385 
1 1 1  -19    5   21 o  545.443   81.278   1.4302   0.3955   1.2910   0.5216   1.6184   0.6065  508.388  114.281  568.765  119.681 -60.37674 165.4804 
1 1 1  -19    5   22 o  441.866  116.787   0.9828   0.4820   0.5447   0.6179   1.6638   0.7704  365.796  136.599  566.155  146.696 -200.3595 200.4474 
1 1 1  -19    5   23 o  693.373   96.504   2.3500   0.5990   2.3589   0.7467   2.3341   1.0034  682.674  123.406  657.480  165.865 25.19379 206.7377 
1 1 1  -19    5   24 o  291.353  113.040   0.3011   0.4334  -0.1816   0.5356   1.2165   0.7376  248.579  111.806  479.000  150.309 -230.4210 187.3324 
1 1 1  -19    5   25 o  479.246  110.093   1.1839   0.4753   1.3743   0.6508   0.9661   0.6958  505.719  136.617  431.028  146.659 74.69135 200.4324 
1 1 1  -19    7    1 o  1020.07   43.574   4.8320   0.4090   4.4792   0.5269   5.3669   0.6488  976.729   58.898  1066.64   66.435 -89.90527 88.78352 
1 1 1  -19    7    2 f  1493.41   40.583   10.339   0.5577   10.520   0.7284   10.084   0.8669  1502.49   52.688  1466.51   64.240 35.97693 83.08358 
1 1 1  -19    7    3 o  380.880   79.201   0.7099   0.2685   0.7508   0.3706   0.6647   0.3897  388.001  102.323  366.805  108.111 21.19644 148.8555 
1 1 1  -19    7    4 o  437.477   73.448   0.9240   0.2852   1.0822   0.3805   0.7211   0.4308  469.160   91.419  381.712  113.963 87.44812 146.0994 
1 1 1  -19    7    5 o  1652.77   43.655   12.673   0.6639   12.526   0.8446   12.912   1.0741  1638.72   56.012  1657.24   70.435 -18.51941 89.99096 
1 1 1  -19    7    6 o  1330.69   42.773   8.2146   0.5237   7.9646   0.7380   8.4683   0.7434  1304.56   61.478  1345.71   60.035 -41.14795 85.92831 
1 1 1  -19    7    7 o  244.746   91.794   0.2222   0.2796   0.6861   0.4196  -0.1485   0.3751  372.335  112.756  208.862   93.783 163.4728 146.6602 
1 1 1  -19    7    8 o  293.568   87.577   0.4182   0.2545   0.1359   0.4241   0.5771   0.3181  262.872  108.391  341.383   96.816 -78.51151 145.3341 
1 1 1  -19    7    9 o  676.293   58.706   2.1580   0.3617   1.9922   0.5026   2.3362   0.5210  639.897   87.657  695.571   83.040 -55.67358 120.7451 
1 1 1  -19    7   10 o  544.846   61.937   1.4118   0.3050   1.4544   0.4843   1.3839   0.3927  539.448  101.282  532.745   82.788 6.702881 130.8124 
1 1 1  -19    7   11 o  536.098   67.336   1.3766   0.3248   0.9238   0.5009   1.7053   0.4268  423.849  121.903  593.007   80.271 -169.1578 145.9577 
1 1 1  -19    7   12 o  774.934   79.387   2.8921   0.5581   2.4868   0.8864   3.1583   0.7184  683.860  145.337  800.274   99.718 -116.4148 176.2566 
1 1 1  -19    7   13 f  431.881   80.880   0.9164   0.3096   1.2588   0.4401   0.5811   0.4356  501.499   98.895  347.442  116.049 154.0574 152.4717 
1 1 1  -19    7   14 o  1028.11   45.620   4.9194   0.4316   5.6574   0.6334   4.2799   0.5896  1095.13   63.123  950.149   67.889 144.9771 92.70074 
1 1 1  -19    7   15 o  222.263   90.844   0.1015   0.2947  -0.2903   0.4169   0.4925   0.4165  205.259   94.709  327.667  113.404 -122.4081 147.7506 
1 1 1  -19    7   16 o  248.929  102.501   0.1191   0.3786   0.4197   0.8482   0.0442   0.4231  377.917  154.258  248.824  105.780 129.0926 187.0430 
1 1 1  -19    7   17 f  397.346  112.077   0.7889   0.4275  -0.0183   0.8503   1.0620   0.4946  334.708  146.130  458.332  116.910 -123.6235 187.1417 
1 1 1  -19    7   18 o  605.181  113.969   1.8182   0.6114   0.0000   0.0000   1.8182   0.6114  ?   ?   605.181  113.969 0.000000 113.9691 
1 1 1  -19    7   19 o  1131.39   54.750   5.9521   0.5700   6.4402   0.8284   5.5132   0.7855  1168.30   77.495  1079.81   79.618 88.48450 111.1056 
1 1 1  -19    7   20 o  1189.23   67.756   6.6350   0.7384   6.4099   1.0567   6.8498   1.0321  1155.63  100.372  1197.68   94.422 -42.05359 137.8045 
1 1 1  -19    7   21 o  844.963   71.838   3.3734   0.5532   3.2020   0.7237   3.6145   0.8583  813.706   98.667  859.875  111.069 -46.16858 148.5649 
1 1 1  -19    7   22 o  343.312  106.508   0.5719   0.3715   0.4403   0.4862   0.7566   0.5760  328.483  121.462  397.092  133.447 -68.60898 180.4464 
1 1 1  -19    7   23 o  345.119  122.050   0.5405   0.4840   0.5842   0.5981   0.4577   0.8239  366.019  134.837  377.373  152.776 -11.35339 203.7686 
1 1 1  -19    7   24 o  396.377  113.734   0.8047   0.4365   0.8791   0.5692   0.6985   0.6799  413.622  132.315  388.925  143.675 24.69684 195.3200 
1 1 1  -19    7   25 o  629.971  205.781   2.4928   1.3723   2.4928   1.3723   0.0000   0.0000  629.971  205.781  ?   ?  0.000000 205.7810 
1 1 1  -19    9    1 o  936.190   39.315   4.0695   0.3387   4.5596   0.4946   3.6368   0.4647  985.309   54.769  878.603   57.805 106.7058 79.63057 
1 1 1  -19    9    2 o  894.543   40.919   3.7161   0.3368   3.9303   0.4945   3.5307   0.4601  913.569   59.136  866.048   58.067 47.52100 82.87860 
1 1 1  -19    9    3 o  434.375   67.419   0.9086   0.2607   0.5247   0.3964   1.2014   0.3462  332.415  110.692  497.481   78.204 -165.0667 135.5308 
1 1 1  -19    9    4 o  897.206   43.640   3.7409   0.3603   3.6905   0.5209   3.7873   0.4989  883.729   64.499  896.595   60.827 -12.86597 88.65697 
1 1 1  -19    9    5 o  1182.06   42.416   6.4900   0.4614   6.4206   0.6552   6.5582   0.6497  1168.26   61.166  1181.26   59.968 -12.99109 85.65885 
1 1 1  -19    9    6 o  1365.17   35.886   8.6340   0.4508   9.5381   0.7651   8.1533   0.5579  1426.84   58.275  1323.75   45.804 103.0878 74.12125 
1 1 1  -19    9    7 o  581.544   53.020   1.5928   0.2806   1.1156   0.4460   1.9054   0.3610  469.632  105.757  633.720   62.730 -164.0882 122.9616 
1 1 1  -19    9    8 o  1288.21   39.954   7.7056   0.4736   7.1553   0.7569   8.0596   0.6071  1229.44   67.161  1313.99   50.215 -84.54614 83.85817 
1 1 1  -19    9    9 o  697.395   58.983   2.2994   0.3750   2.6185   0.5544   2.0303   0.5091  735.144   83.429  644.376   88.170 90.76782 121.3847 
1 1 1  -19    9   10 o  570.142   60.830   1.5457   0.3142   2.0748   0.5133   1.2286   0.3973  651.198   87.912  497.861   90.048 153.3371 125.8458 
1 1 1  -19    9   11 o  278.339   94.061   0.3578   0.2862   0.3802   0.3673   0.3231   0.4565  295.212  106.118  298.849  115.997 -3.637207 157.2143 
1 1 1  -19    9   12 o  1339.54   51.722   8.3906   0.6375   7.9095   0.8593   8.9796   0.9508  1288.62   72.764  1371.39   75.643 -82.76978 104.9592 
1 1 1  -19    9   13 o  482.503   70.996   1.1241   0.3058   1.2961   0.4192   0.9284   0.4471  511.233   92.507  425.867  112.437 85.36649 145.6011 
1 1 1  -19    9   14 o  1124.32   45.563   5.8837   0.4714   4.8835   0.6270   7.1839   0.7149  1015.29   67.497  1234.32   63.153 -219.0345 92.43449 
1 1 1  -19    9   15 o  1185.20   46.280   6.5359   0.5047   7.3413   0.7377   5.8268   0.6921  1248.03   64.454  1109.94   68.094 138.0887 93.76058 
1 1 1  -19    9   16 o  482.295   82.879   1.1336   0.3546   1.6608   0.5286   0.7025   0.4780  578.763  103.040  378.719  121.261 200.0440 159.1268 
1 1 1  -19    9   17 o  800.795   59.079   3.0096   0.4323   3.1827   0.6427   2.8667   0.5841  814.530   87.105  773.958   83.327 40.57202 120.5436 
1 1 1  -19    9   18 o  367.750  107.115   0.6638   0.3846   0.5997   0.6043   0.7075   0.4985  374.306  135.891  383.867  123.928 -9.561523 183.9142 
1 1 1  -19    9   19 o  1400.16   49.160   9.0998   0.6334   9.2531   0.9085   8.9549   0.8834  1405.47   70.251  1381.16   69.738 24.30518 98.98812 
1 1 1  -19    9   20 o  1274.70   65.143   7.6164   0.7615   7.4286   1.0914   7.7946   1.0631  1245.52   95.968  1278.51   90.958 -32.99182 132.2242 
1 1 1  -19    9   21 o  1108.92   82.666   5.8507   0.8375   5.4178   1.5424   6.0317   0.9973  1014.87  171.263  1118.75   97.858 -103.8771 197.2492 
1 1 1  -19    9   22 o  464.940  138.275   1.1138   0.6352   0.2694   1.2554   1.4043   0.7364  416.909  179.805  517.120  147.517 -100.2106 232.5753 
1 1 1  -19    9   23 o  642.954  115.880   2.0993   0.6604   2.4240   0.9147   1.7458   0.9543  671.542  151.617  561.407  170.066 110.1345 227.8380 
1 1 1  -19    9   24 o  441.890  113.691   1.0141   0.4649   1.2170   0.6372   0.7833   0.6799  476.054  137.665  399.934  144.297 76.11972 199.4326 
1 1 1  -19    9   25 o  434.874  158.993   0.9823   0.8294   1.4230   1.1033   0.4098   1.2576  500.311  183.310  409.376  178.252 90.93552 255.6880 
1 1 1  -19   11    1 o  529.299   47.420   1.3199   0.2285   1.2615   0.3290   1.3743   0.3176  509.661   72.164  534.529   65.981 -24.86862 97.78049 
1 1 1  -19   11    2 o  956.698   38.665   4.2542   0.3404   3.8827   0.4751   4.6459   0.4878  906.822   57.236  993.792   53.546 -86.96930 78.37812 
1 1 1  -19   11    3 o  280.114   81.778   0.3853   0.2239   0.1208   0.3281   0.6158   0.3064  233.958   95.767  349.699   93.429 -115.7416 133.7921 
1 1 1  -19   11    4 o  1241.01   34.026   7.1389   0.3886   6.9423   0.6445   7.2511   0.4870  1215.38   57.628  1248.16   42.405 -32.78320 71.54852 
1 1 1  -19   11    5 o  159.277   69.101  -0.0197   0.1876  -0.0007   0.3424  -0.0278   0.2243  217.718   93.899  172.801   75.260 44.91695 120.3372 
1 1 1  -19   11    6 o  154.456   69.071  -0.0767   0.2013   0.1661   0.3583  -0.1886   0.2432  250.122  100.929  155.344   71.910 94.77769 123.9263 
1 1 1  -19   11    7 o  426.695   68.016   0.8822   0.2581   0.9232   0.4444   0.8613   0.3170  423.224  112.262  415.998   85.677 7.225616 141.2207 
1 1 1  -19   11    8 o  651.487   46.350   1.9900   0.2760   1.9009   0.3972   2.0733   0.3839  629.248   69.772  659.559   64.068 -30.31122 94.72528 
1 1 1  -19   11    9 o  454.984   84.684   1.0256   0.3415   1.3235   0.5120   0.7868   0.4583  506.774  112.705  391.579  117.690 115.1945 162.9524 
1 1 1  -19   11   10 o  1005.98   42.063   4.7108   0.3894   5.3281   0.5655   4.1544   0.5369  1062.83   58.044  936.158   62.690 126.6686 85.43544 
1 1 1  -19   11   11 o  1039.54   43.410   5.0327   0.4152   5.3846   0.5874   4.6811   0.5871  1067.84   60.022  993.403   64.575 74.44055 88.16261 
1 1 1  -19   11   12 f  342.310  103.780   0.5841   0.3553   0.7452   0.4887   0.4036   0.5173  384.391  122.565  322.458  123.943 61.93225 174.3098 
1 1 1  -19   11   13 f  1119.82   45.628   5.8411   0.4702   6.5196   0.6752   5.2027   0.6550  1175.14   62.671  1046.84   68.377 128.3069 92.75274 
1 1 1  -19   11   14 o  1145.84   46.534   6.1144   0.4906   6.0505   0.6792   6.1842   0.7095  1131.41   65.520  1142.81   67.775 -11.40576 94.26708 
1 1 1  -19   11   15 o  1260.80   45.639   7.3926   0.5295   7.0096   0.7365   7.8024   0.7617  1218.99   65.903  1288.51   64.247 -69.52576 92.03745 
1 1 1  -19   11   16 o  460.927   84.591   1.0385   0.3456   0.1693   0.4694   2.0667   0.5105  279.283  114.463  653.736   87.034 -374.4534 143.7936 
1 1 1  -19   11   17 o  596.615   80.940   1.7093   0.4329   2.1219   0.6797   1.4278   0.5615  652.544  117.522  532.849  117.656 119.6946 166.2962 
1 1 1  -19   11   18 o  281.713  105.507   0.2976   0.3692   0.7315   0.5396  -0.0840   0.5061  391.521  129.097  255.328  112.073 136.1935 170.9578 
1 1 1  -19   11   19 o  1284.41   51.668   7.6695   0.6107   7.7436   0.8631   7.5953   0.8641  1281.86   73.478  1269.14   74.318 12.71753 104.5093 
1 1 1  -19   11   20 o  589.277  120.991   1.7486   0.6341   1.4396   0.8296   2.1827   0.9833  526.129  158.385  640.989  165.550 -114.8599 229.1128 
1 1 1  -19   11   21 o  1588.28   52.769   11.760   0.7712   12.777   1.1107   10.814   1.0716  1645.48   73.357  1509.87   77.393 135.6132 106.6347 
1 1 1  -19   11   22 o  215.857   98.066  -0.2098   0.4245  -0.5307   0.5880   0.1394   0.6134  230.927  108.504  303.315  128.071 -72.38774 167.8551 
1 1 1  -19   11   23 o  350.951  133.990   0.5149   0.6021   1.3505   0.8272  -0.4265   0.8780  496.601  159.568  298.576  137.653 198.0246 210.7374 
1 1 1  -19   11   24 o  168.975   82.436  -0.7082   0.4182  -0.7105   0.5217  -0.7042   0.6994  198.227   95.604  241.557  114.931 -43.32933 149.4964 
1 1 1  -19   13    1 o  318.319   56.927   0.4924   0.1606   0.4969   0.2481   0.4892   0.2108  313.691   84.189  312.832   74.318 0.8591919 112.2986 
1 1 1  -19   13    2 o  1208.65   34.762   6.7877   0.3866   7.0781   0.5574   6.5185   0.5367  1228.14   49.323  1178.52   49.491 49.62598 69.87193 
1 1 1  -19   13    3 o  708.584   37.586   2.3422   0.2442   2.9994   0.4296   2.0284   0.2968  794.462   59.187  655.895   49.545 138.5671 77.18665 
1 1 1  -19   13    4 o  227.947   74.990   0.2416   0.1821   0.2254   0.3358   0.2484   0.2168  254.753   99.313  235.875   81.801 18.87823 128.6644 
1 1 1  -19   13    5 o  504.175   55.095   1.2095   0.2514   0.7787   0.4306   1.4324   0.3097  387.552  113.474  546.653   62.712 -159.1003 129.6500 
1 1 1  -19   13    6 f  185.929   73.320   0.1006   0.1848   0.0811   0.2579   0.1211   0.2649  205.258   84.567  215.717   86.877 -10.45822 121.2401 
1 1 1  -19   13    7 o  718.890   42.903   2.4184   0.2825   2.2059   0.4082   2.6137   0.3914  678.579   66.219  742.525   57.736 -63.94598 87.85493 
1 1 1  -19   13    8 o  147.200   67.776  -0.1491   0.2119  -0.5715   0.2925   0.3175   0.3074  136.800   67.197  270.061   97.080 -133.2606 118.0674 
1 1 1  -19   13    9 o  208.788   90.401  -0.0095   0.3199  -0.0646   0.4863   0.0325   0.4246  247.376  109.176  244.401  104.980 2.975250 151.4601 
1 1 1  -19   13   10 o  1043.31   42.514   5.0706   0.4081   4.6887   0.5642   5.4897   0.5911  994.601   61.960  1077.52   59.851 -82.91962 86.14632 
1 1 1  -19   13   11 o  422.386   77.049   0.8767   0.2884   1.0751   0.4198   0.6992   0.3970  459.865  101.885  370.867  109.064 88.99796 149.2495 
1 1 1  -19   13   12 o  504.267   91.211   1.2635   0.4076   0.9980   0.5372   1.6238   0.6259  437.504  126.367  557.860  125.024 -120.3561 177.7631 
1 1 1  -19   13   13 o  365.914   91.674   0.6711   0.3080   0.7823   0.4431   0.5672   0.4285  392.142  115.199  343.429  115.099 48.71310 162.8452 
1 1 1  -19   13   14 o  331.624   97.020   0.5443   0.3149   0.2901   0.4194   0.8725   0.4766  287.364  111.283  413.614  118.896 -126.2494 162.8503 
1 1 1  -19   13   15 o  1016.24   51.915   4.8273   0.4838   4.7270   0.6821   4.9288   0.6864  997.219   74.882  1018.89   73.714 -21.67303 105.0763 
1 1 1  -19   13   16 o  840.448   63.454   3.3249   0.4871   3.1079   0.7376   3.4927   0.6487  797.962  102.852  854.609   83.557 -56.64697 132.5152 
1 1 1  -19   13   17 o  300.735  106.405   0.3892   0.3679  -0.1367   0.5047   0.9857   0.5375  248.423  110.348  442.228  125.991 -193.8053 167.4827 
1 1 1  -19   13   18 o  1001.26   57.829   4.6907   0.5305   3.9204   0.7251   5.5782   0.7783  904.883   88.203  1084.85   78.497 -179.9695 118.0747 
1 1 1  -19   13   19 o  408.690  111.377   0.8366   0.4303   0.4974   0.5547   1.3492   0.6818  348.836  129.588  511.318  140.560 -162.4821 191.1813 
1 1 1  -19   13   20 o  535.465  126.417   1.4705   0.6129   0.9275   0.7768   2.3661   0.9976  438.832  154.676  663.608  164.253 -224.7758 225.6190 
1 1 1  -19   13   21 o  1077.03   62.299   5.4686   0.6148   5.5274   0.8623   5.4078   0.8767  1070.00   88.376  1056.80   91.041 13.19897 126.8813 
1 1 1  -19   13   22 o  270.594  112.401   0.1468   0.4609   0.3518   0.6745  -0.0328   0.6312  338.224  137.748  284.888  125.101 53.33572 186.0773 
1 1 1  -19   13   23 f  296.999  122.374   0.2343   0.5401  -0.1460   0.8618   0.4803   0.6932  314.160  141.512  353.997  141.236 -39.83640 199.9327 
1 1 1  -19   15    1 o  736.952  100.026   2.7737   0.6608   2.1179   0.8568   3.7364   1.0380  602.274  153.998  818.290  143.068 -216.0161 210.1991 
1 1 1  -19   15    2 o  430.501   92.516   0.9495   0.3556   0.9254   0.3898   1.0693   0.8678  421.070  101.741  439.551  162.325 -18.48166 191.5740 
1 1 1  -19   15    3 o  579.916   44.303   1.5832   0.2346   1.6383   0.4375   1.5609   0.2780  573.179   85.562  572.909   53.344 0.2705078 100.8291 
1 1 1  -19   15    4 o  123.552   56.928  -0.1088   0.1499  -0.1873   0.2170  -0.0372   0.2072  143.598   66.965  163.137   71.652 -19.53896 98.07340 
1 1 1  -19   15    5 o  853.695   36.532   3.3909   0.2870   3.3997   0.4071   3.3821   0.4046  848.321   52.406  846.193   52.219 2.128845 73.98125 
1 1 1  -19   15    6 o  409.700   59.968   0.8101   0.2194   1.2256   0.3243   0.4598   0.2978  500.965   72.467  304.278   95.523 196.6868 119.9003 
1 1 1  -19   15    7 o  887.876   39.834   3.6726   0.3254   3.5073   0.4558   3.8445   0.4648  859.933   57.944  901.207   56.332 -41.27368 80.81387 
1 1 1  -19   15    8 o  283.554   85.066   0.3968   0.2396   0.7178   0.3540   0.1254   0.3255  374.082  100.637  232.997   95.386 141.0844 138.6590 
1 1 1  -19   15    9 o  609.026   68.501   1.7851   0.3772   2.0097   0.5534   1.5903   0.5155  632.963   98.203  558.900  104.072 74.06287 143.0902 
1 1 1  -19   15   10 o  687.449   53.081   2.2299   0.3332   2.3830   0.4728   2.0790   0.4695  702.677   74.252  653.532   79.734 49.14490 108.9538 
1 1 1  -19   15   11 o  536.292   65.792   1.3800   0.3179   1.7618   0.4618   1.0363   0.4382  598.846   86.295  449.290  107.441 149.5563 137.8053 
1 1 1  -19   15   12 o  1141.91   58.397   6.1438   0.6115   5.9961   0.8157   6.3335   0.9241  1116.71   79.909  1142.26   88.618 -25.55286 119.3258 
1 1 1  -19   15   13 o  212.549   88.786   0.0607   0.2899  -0.0577   0.4161   0.1723   0.4040  231.598  101.642  262.820  106.773 -31.22171 147.4168 
1 1 1  -19   15   14 o  372.280   94.500   0.6923   0.3243   0.6980   0.4593   0.6867   0.4579  375.618  118.710  373.109  118.607 2.509827 167.8081 
1 1 1  -19   15   15 o  188.799   86.814  -0.2364   0.3461  -0.8287   0.5027   0.2974   0.4772  188.096   91.455  301.360  118.145 -113.2644 149.4062 
1 1 1  -19   15   16 o  223.002   94.270   0.0373   0.3330   0.1297   0.4813  -0.0474   0.4611  276.488  114.861  247.128  107.759 29.35974 157.4964 
1 1 1  -19   15   17 o  660.317   70.431   2.0711   0.4213   2.3723   0.5984   1.7750   0.5934  698.558   95.598  596.542  112.217 102.0160 147.4168 
1 1 1  -19   15   18 o  629.499   73.844   1.8920   0.4196   1.9424   0.6088   1.8464   0.5792  624.971  109.866  610.077  107.079 14.89325 153.4157 
1 1 1  -19   15   19 f  715.545   75.299   2.4465   0.4883   2.6436   0.6472   2.1861   0.7441  735.014   98.149  653.857  128.258 81.15735 161.5029 
1 1 1  -19   15   20 o  409.088  128.431   0.8491   0.5384   1.8121   0.8818   0.2768   0.6798  576.348  160.399  332.167  137.125 244.1811 211.0238 
1 1 1  -19   15   21 o  586.484   90.374   1.6998   0.4720   1.0408   0.6335   2.5223   0.7078  444.239  139.290  704.653  112.975 -260.4139 179.3463 
1 1 1  -19   15   22 o  252.749  115.215  -0.2447   0.5922   0.0004   0.7915  -0.5565   0.8927  314.693  139.059  289.141  135.164 25.55191 193.9247 
1 1 1  -19   15   23 o  356.572  141.940   0.5220   0.6986  -0.0829   0.8920   1.4820   1.1237  320.573  144.225  499.465  184.665 -178.8918 234.3116 
1 1 1  -19   17    2 o  475.463   46.099   1.0710   0.1992   1.0183   0.2959   1.1146   0.2693  453.806   73.356  479.559   62.512 -25.75317 96.37917 
1 1 1  -19   17    3 o  739.640   37.295   2.5563   0.2530   2.7073   0.4223   2.4718   0.3160  751.464   61.614  723.736   47.720 27.72833 77.93221 
1 1 1  -19   17    4 o  560.873   47.812   1.4875   0.2444   1.5542   0.4083   1.4503   0.3051  559.638   81.693  549.000   61.449 10.63763 102.2237 
1 1 1  -19   17    5 o  180.024   75.269   0.0441   0.2086  -0.0975   0.3248   0.1434   0.2721  196.024   87.696  221.331   88.432 -25.30711 124.5427 
1 1 1  -19   17    6 o  920.792   55.793   4.0172   0.4705   4.4760   0.5113   1.4799   1.2024  971.273   57.461  501.314  189.836 469.9594 198.3419 
1 1 1  -19   17    7 o  503.044   82.205   1.2545   0.3674   1.1164   0.3916   2.2687   1.0610  469.003   94.012  614.079  177.652 -145.0756 200.9936 
1 1 1  -19   17    8 f  834.518   44.085   3.2615   0.3373   3.1565   0.4781   3.3655   0.4760  812.891   64.444  840.657   61.974 -27.76593 89.40837 
1 1 1  -19   17    9 o  609.166   71.713   1.7940   0.3943   1.0242   0.5753   2.4757   0.5414  438.289  131.887  710.711   84.438 -272.4218 156.6013 
1 1 1  -19   17   10 o  434.718   73.930   0.9251   0.2851   0.8890   0.4176   0.9567   0.3903  415.045  108.235  433.147   99.946 -18.10147 147.3233 
1 1 1  -19   17   11 o  912.318   48.440   3.8992   0.4052   3.7250   0.5692   4.0781   0.5769  882.803   70.664  925.051   68.257 -42.24817 98.24710 
1 1 1  -19   17   12 f  645.524   61.748   1.9779   0.3623   1.8645   0.5014   2.1019   0.5242  615.644   91.265  655.182   89.266 -39.53772 127.6627 
1 1 1  -19   17   13 o  878.419   53.724   3.6187   0.4322   3.1891   0.6023   4.0745   0.6204  814.351   81.473  924.897   73.506 -110.5453 109.7318 
1 1 1  -19   17   14 o  606.029   76.477   1.7636   0.4170   2.0652   0.6628   1.5660   0.5365  640.490  116.757  559.253  108.157 81.23749 159.1543 
1 1 1  -19   17   15 o  851.566   57.585   3.4035   0.4486   2.7846   0.6143   4.1107   0.6566  758.971   89.690  929.139   77.505 -170.1688 118.5384 
1 1 1  -19   17   16 o  691.334   67.153   2.2657   0.4218   2.5786   0.5912   1.9411   0.6020  729.910   89.919  624.665  108.683 105.2446 141.0586 
1 1 1  -19   17   17 o  1134.22   54.570   6.0061   0.5695   7.1143   0.8389   5.0589   0.7756  1224.54   74.814  1028.35   82.668 196.1837 111.4950 
1 1 1  -19   17   18 o  782.335   73.045   2.9194   0.5198   4.0058   0.7062   1.6353   0.7678  911.999   85.133  554.353  147.811 357.6463 170.5749 
1 1 1  -19   17   19 o  586.684   84.920   1.6818   0.4451   2.0774   0.6182   1.2559   0.6414  642.491  108.426  487.159  137.225 155.3322 174.8915 
1 1 1  -19   17   20 o  344.500  129.188   0.5167   0.5538   0.8612   0.8157   0.2221   0.7543  420.764  156.981  333.615  141.508 87.14963 211.3467 
1 1 1  -19   17   21 o  532.266  101.244   1.4481   0.4777   1.2252   0.6599   1.6935   0.6925  471.592  141.101  556.373  136.336 -84.78021 196.2066 
1 1 1  -19   17   22 o  381.844  143.053   0.7224   0.6787   0.5992   0.9856   0.8335   0.9361  392.075  163.743  413.686  164.420 -21.61029 232.0466 
1 1 1  -19   19    1 o  523.310   45.594   1.2959   0.2174   1.1889   0.2982   1.4172   0.3174  493.018   67.513  539.957   65.213 -46.93854 93.86556 
1 1 1  -19   19    2 o  357.655   52.897   0.6168   0.1688   0.7934   0.2917   0.5278   0.2070  395.612   82.793  324.838   71.225 70.77365 109.2142 
1 1 1  -19   19    3 o  586.287   42.550   1.6170   0.2280   1.3674   0.3729   1.7660   0.2881  524.475   79.794  609.665   51.845 -85.18958 95.15775 
1 1 1  -19   19    4 o  1084.16   36.212   5.4737   0.3613   5.3087   0.5967   5.5693   0.4539  1054.02   61.793  1089.90   45.258 -35.88135 76.59370 
1 1 1  -19   19    5 o  347.134   72.474   0.5997   0.2240   0.9129   0.3827   0.4364   0.2763  419.346  100.498  295.743   91.866 123.6023 136.1586 
1 1 1  -19   19    6 o  562.040   56.473   1.5068   0.2881   1.4133   0.4780   1.5601   0.3611  523.844  102.827  566.434   70.827 -42.58997 124.8598 
1 1 1  -19   19    7 o  427.143   73.967   0.8987   0.2802   0.5466   0.4768   1.0844   0.3463  338.473  120.979  466.258   83.797 -127.7848 147.1661 
1 1 1  -19   19    8 o  799.292   51.804   3.0123   0.3790   2.9105   0.6112   3.0759   0.4830  768.491   88.020  801.724   66.061 -33.23260 110.0525 
1 1 1  -19   19    9 o  195.045   89.537  -0.2216   0.3661  -0.5353   0.8662  -0.1534   0.4039  287.165  133.869  214.517   96.731 72.64784 165.1600 
1 1 1  -19   19   10 o  358.255   95.891   0.6488   0.3224   0.8618   0.4888   0.4848   0.4289  407.955  121.290  324.512  114.870 83.44354 167.0526 
1 1 1  -19   19   11 o  345.125  121.392   0.5547   0.4782   0.4495   0.5246   1.0720   1.1631  331.556  125.432  474.429  184.869 -142.8736 223.4043 
1 1 1  -19   19   12 o  605.983  100.990   1.8253   0.5433   2.1734   0.6041   0.3510   1.2430  661.671  102.531  417.262  179.436 244.4087 206.6641 
1 1 1  -19   19   13 o  972.905   56.097   4.4416   0.5001   4.9845   0.7852   4.0712   0.6486  1018.59   84.537  923.317   77.050 95.27271 114.3817 
1 1 1  -19   19   14 o  374.266  102.676   0.7018   0.3643   0.2431   0.5061   1.1948   0.5247  297.246  119.949  483.219  118.825 -185.9737 168.8407 
1 1 1  -19   19   15 o  565.892   78.096   1.5461   0.3958   1.2339   0.5560   1.8669   0.5636  489.501  123.462  612.864  103.636 -123.3625 161.1935 
1 1 1  -19   19   16 o  227.815   98.699  -0.0171   0.3817  -0.2602   0.5226   0.2609   0.5589  237.907  108.365  309.244  125.608 -71.33655 165.8922 
1 1 1  -19   19   17 o  399.875  109.641   0.8146   0.4155   0.7746   0.5640   0.8620   0.6144  394.673  132.053  413.410  137.819 -18.73703 190.8715 
1 1 1  -19   19   18 o  635.611   82.873   1.9715   0.4732   1.3834   0.6374   2.6934   0.7062  509.239  134.153  731.068  108.252 -221.8298 172.3820 
1 1 1  -19   19   19 o  220.328   98.273  -0.1041   0.4046   0.9797   0.5725  -1.1857   0.5719  428.984  132.064  184.394   91.214 244.5907 160.5020 
1 1 1  -19   19   20 o  431.369  134.695   1.0153   0.5931   2.2449   0.9354   0.1885   0.7670  618.917  162.257  325.904  140.551 293.0126 214.6667 
1 1 1  -19   19   21 o  254.748  108.762   0.0895   0.4508  -0.3394   0.5933   0.6753   0.6934  241.191  111.881  373.323  143.492 -132.1325 181.9539 
1 1 1  -19   21    1 o  911.246   40.137   3.8818   0.3365   3.8688   0.4426   3.8996   0.5182  902.740   53.517  901.103   62.896 1.637390 82.58319 
1 1 1  -19   21    2 o  729.678   40.866   2.4968   0.2733   2.1750   0.4014   2.7747   0.3731  670.740   65.889  764.366   53.380 -93.62665 84.79852 
1 1 1  -19   21    3 o  738.976   42.631   2.5634   0.2886   2.3327   0.4479   2.7274   0.3775  692.547   71.303  757.617   54.515 -65.06946 89.75522 
1 1 1  -19   21    4 o  630.453   45.920   1.8728   0.2646   1.8139   0.4340   1.9076   0.3338  606.475   79.693  631.951   58.044 -25.47583 98.59023 
1 1 1  -19   21    5 o  546.161   54.183   1.4198   0.2687   1.1308   0.4389   1.5932   0.3398  466.290  104.837  574.625   65.441 -108.3347 123.5849 
1 1 1  -19   21    6 o  657.715   51.125   2.0443   0.3070   1.5449   0.4843   2.3797   0.3969  551.132   99.139  705.817   61.734 -154.6846 116.7884 
1 1 1  -19   21    7 o  304.687   89.318   0.4639   0.2666   0.6002   0.4668   0.3978   0.3248  349.382  120.100  291.338  100.182 58.04391 156.3980 
1 1 1  -19   21    8 o  625.087   82.742   1.9137   0.4642  -0.3783   0.9974   2.5474   0.5245  320.561  147.393  723.750   80.098 -403.1889 167.7509 
1 1 1  -19   21    9 o  296.961   97.773   0.4210   0.3096   0.5777   0.5834   0.3596   0.3652  358.937  132.985  289.733  105.573 69.20404 169.7960 
1 1 1  -19   21   10 o  615.216   71.805   1.8192   0.3988   1.1645   0.7001   2.1337   0.4853  468.295  146.363  663.146   81.225 -194.8512 167.3909 
1 1 1  -19   21   11 o  501.831  106.880   1.2775   0.4784   1.2005   0.6930   1.3476   0.6613  476.054  145.085  504.129  138.357 -28.07480 200.4799 
1 1 1  -19   21   12 o  217.649   94.818  -0.0328   0.3562   0.0121   0.5547  -0.0644   0.4648  274.982  119.055  243.895  107.218 31.08670 160.2182 
1 1 1  -19   21   13 o  499.157   93.382   1.2379   0.4131   1.5214   0.6760   1.0689   0.5220  536.708  136.547  454.488  122.178 82.22076 183.2285 
1 1 1  -19   21   14 o  789.079   69.631   2.9685   0.5004   3.9696   0.8319   2.4010   0.6264  896.262  102.728  695.708  100.781 200.5538 143.9089 
1 1 1  -19   21   15 o  1056.74   65.804   5.2966   0.6367   5.7239   0.9506   4.9490   0.8574  1080.48   96.637  1006.04   93.696 74.43433 134.6018 
1 1 1  -19   21   16 o  355.828  135.696   0.5384   0.6171   0.5384   0.6171   0.0000   0.0000  355.828  135.696  ?   ?  0.000000 135.6964 
1 1 1  -19   21   17 o  646.411  110.741   2.1441   0.6350   2.6397   0.7058   0.0390   1.4546  718.917  110.207  403.741  182.673 315.1761 213.3420 
1 1 1  -19   21   18 o  654.410   82.014   2.1105   0.4830   2.1221   0.6727   2.0981   0.6940  633.955  119.701  626.959  124.686 6.995422 172.8433 
1 1 1  -19   21   19 o  661.104  111.869   2.2964   0.6563   2.5672   1.0138   2.1010   0.8610  650.354  168.161  597.826  155.165 52.52844 228.8102 
1 1 1  -19   21   20 o  556.822  102.146   1.6207   0.5041   1.6213   0.7021   1.6200   0.7241  529.085  141.477  526.187  144.941 2.898743 202.5426 
1 1 1  -19   23    1 f  437.116   69.691   0.9374   0.2709   0.6868   0.3329   1.4287   0.4662  364.378   97.405  527.182   99.750 -162.8039 139.4190 
1 1 1  -19   23    2 o  606.147   58.520   1.7561   0.3223   1.3778   0.4197   2.3002   0.5033  522.651   90.551  683.224   81.679 -160.5738 121.9462 
1 1 1  -19   23    3 o  525.348   64.300   1.3319   0.3043   1.3576   0.4296   1.3060   0.4312  517.791   93.604  506.472   96.049 11.31870 134.1164 
1 1 1  -19   23    4 o  304.269   89.471   0.4644   0.2672   0.5702   0.4031   0.3815   0.3568  337.622  111.591  290.837  104.577 46.78494 152.9348 
1 1 1  -19   23    5 o  524.137   63.091   1.3205   0.2982   1.2298   0.4890   1.3741   0.3762  485.239  111.822  528.331   79.873 -43.09177 137.4182 
1 1 1  -19   23    6 o  853.295   49.470   3.4227   0.3868   3.4002   0.6798   3.4335   0.4703  830.391   90.427  850.200   60.510 -19.80890 108.8046 
1 1 1  -19   23    7 o  681.731   59.456   2.2083   0.3692   2.4570   0.6609   2.0954   0.4452  696.710  106.470  657.914   74.873 38.79602 130.1603 
1 1 1  -19   23    8 o  492.758  102.200   1.2351   0.4482   0.0000   0.0000   1.2351   0.4482  ?   ?   492.758  102.200 0.000000 102.1997 
1 1 1  -19   23    9 o  210.300   90.596   0.0017   0.3180  -0.5073   0.5394   0.2728   0.3936  218.688  103.116  277.095  107.668 -58.40790 149.0810 
1 1 1  -19   23   10 o  313.006  118.485   0.3975   0.4683  -0.4092   0.5790   1.9232   0.7962  236.849  110.090  594.812  146.455 -357.9630 183.2184 
1 1 1  -19   23   11 o  936.380   57.301   4.1370   0.4913   3.9244   0.7773   4.2785   0.6341  892.132   96.215  944.848   73.510 -52.71655 121.0826 
1 1 1  -19   23   12 o  306.632  106.728   0.4347   0.3692  -0.2467   0.5583   0.9643   0.4922  246.195  112.087  429.960  119.890 -183.7646 164.1250 
1 1 1  -19   23   13 f  1305.81   57.844   8.0308   0.6950   8.6527   1.0505   7.5466   0.9269  1334.55   86.002  1249.75   81.040 84.79407 118.1690 
1 1 1  -19   23   14 o  1179.98   62.039   6.6085   0.6712   5.6034   0.9816   7.4913   0.9200  1059.07  101.985  1243.50   80.840 -184.4214 130.1383 
1 1 1  -19   23   15 o  439.392  109.440   1.0099   0.4408   0.4618   0.6572   1.4581   0.5944  345.190  137.587  521.333  125.423 -176.1428 186.1748 
1 1 1  -19   23   16 o  188.964   89.601  -0.4308   0.4181  -0.1718   0.6503  -0.6133   0.5458  269.488  122.016  209.684  100.251 59.80409 157.9185 
1 1 1  -19   23   17 o  565.327  105.896   1.6741   0.5306   2.3470   0.8960   1.3106   0.6585  630.750  155.395  478.691  140.382 152.0594 209.4149 
1 1 1  -19   23   18 o  282.523  116.560   0.2464   0.4908   1.1565   0.8821  -0.1617   0.5907  440.421  163.461  253.949  115.491 186.4712 200.1440 
1 1 1  -19   23   19 o  395.560  182.365   0.3234   1.5410   0.0000   0.0000   0.3234   1.5410  ?   ?   395.560  182.365 0.000000 182.3649 
1 1 1  -19   25    1 o  364.893   86.658   0.6802   0.2866   0.4542   0.3413   1.2214   0.5281  303.929  102.715  474.509  120.677 -170.5804 158.4718 
1 1 1  -19   25    2 o  299.109   93.332   0.4482   0.2848   0.4427   0.3426   0.4605   0.5127  301.807  102.902  324.210  123.676 -22.40295 160.8873 
1 1 1  -19   25    3 o  207.106   87.545   0.0494   0.2871   0.0280   0.3684   0.0825   0.4583  226.861   97.623  256.831  109.655 -29.96989 146.8141 
1 1 1  -19   25    4 o  495.689   75.098   1.2078   0.3318   0.8305   0.4553   1.6353   0.4846  396.367  116.864  567.884   96.168 -171.5169 151.3455 
1 1 1  -19   25    5 o  368.924   92.664   0.6959   0.3141   0.5119   0.4438   0.8806   0.4447  328.060  116.778  408.694  113.967 -80.63400 163.1737 
1 1 1  -19   25    6 o  588.161   70.019   1.6758   0.3715   1.7210   0.5383   1.6347   0.5134  579.245  104.845  565.490  102.435 13.75519 146.5785 
1 1 1  -19   25    7 o  370.037  110.023   0.7082   0.4022   1.8999   1.2312   0.5659   0.4255  554.120  194.785  338.452  114.691 215.6681 226.0424 
1 1 1  -19   25    8 o  611.730   65.232   1.7982   0.3615   1.1781   0.5489   2.2733   0.4805  468.916  124.954  682.786   77.865 -213.8700 147.2291 
1 1 1  -19   25    9 o  632.177   66.100   1.9214   0.3788   1.6986   0.6153   2.0574   0.4807  566.488  121.668  646.877   82.656 -80.38892 147.0889 
1 1 1  -19   25   10 o  553.750  101.409   1.5650   0.4977   1.1511   0.6202   2.3133   0.8340  459.209  136.652  647.546  143.721 -188.3370 198.3171 
1 1 1  -19   25   11 o  822.397   67.444   3.2494   0.5059   3.6572   0.7859   2.9609   0.6610  850.395  102.506  768.839   95.493 81.55646 140.0938 
1 1 1  -19   25   12 o  592.762   90.817   1.7643   0.4796   1.3480   0.7241   2.0894   0.6400  487.607  148.239  631.748  114.312 -144.1402 187.1955 
1 1 1  -19   25   13 o  766.831   72.876   2.8618   0.5080   2.7240   0.7767   2.9648   0.6716  714.543  122.543  764.706   97.681 -50.16260 156.7108 
1 1 1  -19   25   14 o  421.992  114.231   0.9605   0.4544   1.6905   0.7732   0.5755   0.5616  536.432  150.521  346.068  130.034 190.3641 198.9107 
1 1 1  -19   25   15 o  439.453  112.561   1.0492   0.4572   1.2993   0.7044   0.8671   0.6010  468.742  146.854  395.233  136.249 73.50897 200.3241 
1 1 1  -19   25   16 o  374.722  122.226   0.7765   0.4842   0.5877   0.7786   0.8957   0.6183  359.039  147.314  396.335  138.109 -37.29614 201.9299 
1 1 1  -19   25   17 o  211.187   98.076  -0.2635   0.4579  -0.4329   0.7348  -0.1561   0.5854  256.381  120.725  250.017  114.195 6.364288 166.1775 
1 1 1  -19   27    1 o  504.289   79.741   1.2811   0.3577   1.5309   0.4200   0.6211   0.6827  548.443   86.053  357.515  140.945 190.9285 165.1378 
1 1 1  -19   27    2 o  771.951   61.376   2.8741   0.4324   3.0159   0.5338   2.6037   0.7372  782.139   75.097  692.338  120.070 89.80054 141.6204 
1 1 1  -19   27    3 o  442.397   90.114   1.0080   0.3544   1.0902   0.4500   0.8739   0.5750  450.180  109.649  397.216  133.331 52.96399 172.6270 
1 1 1  -19   27    4 o  571.538   74.016   1.6116   0.3801   1.2651   0.4972   2.0989   0.5897  484.192  113.558  633.914  104.756 -149.7216 154.4967 
1 1 1  -19   27    5 o  548.757   82.539   1.5088   0.4039   1.4693   0.5475   1.5560   0.5982  521.184  117.031  531.729  124.455 -10.54419 170.8372 
1 1 1  -19   27    6 o  279.992  114.914   0.2364   0.4740  -0.3025   1.2911   0.3203   0.5095  350.911  163.538  298.714  120.419 52.19714 203.0893 
1 1 1  -19   27    7 o  427.309  121.448   1.0004   0.5001   1.5063   1.2439   0.9028   0.5461  488.298  190.930  405.159  129.601 83.13965 230.7613 
1 1 1  -19   27    8 o  562.746   85.006   1.5927   0.4265   1.4260   0.6154   1.7468   0.5915  503.990  131.357  569.823  116.743 -65.83316 175.7368 
1 1 1  -19   27    9 o  552.632  122.658   1.6740   0.6074   2.0537   0.6721  -0.0195   1.4195  613.233  123.381  377.316  174.329 235.9174 213.5730 
1 1 1  -19   27   10 o  479.444  100.788   1.2085   0.4305   1.0055   0.6341   1.3820   0.5864  420.320  140.011  496.351  127.665 -76.03131 189.4764 
1 1 1  -19   27   11 o  370.492  111.639   0.7420   0.4120   0.3336   0.6637   0.9981   0.5256  319.113  133.900  421.379  125.885 -102.2653 183.7831 
1 1 1  -19   27   12 f  374.793  115.748   0.7716   0.4393   0.3216   0.6964   1.0692   0.5663  319.765  135.815  430.838  131.115 -111.0731 188.7771 
1 1 1  -19   27   13 o  474.960  107.678   1.2308   0.4597   0.7577   0.7380   1.5308   0.5877  374.423  146.880  517.856  124.807 -143.4330 192.7445 
1 1 1  -19   27   14 o  261.195  109.839   0.1857   0.4482   1.0719   0.7437  -0.3199   0.5617  415.533  150.761  229.357  107.216 186.1759 184.9975 
1 1 1  -19   27   15 o  932.670   75.532   4.3644   0.6427   5.0193   1.0158   3.9273   0.8298  945.660  119.401  848.548  108.785 97.11169 161.5263 
1 1 1  -19   29    1 o  281.211  104.275   0.3928   0.3588   0.2848   0.4162   0.7054   0.7081  267.811  108.527  354.073  142.232 -86.26202 178.9082 
1 1 1  -19   29    2 o  355.522  108.280   0.7096   0.3861   1.0944   0.4605  -0.2009   0.7084  437.565  113.435  263.624  122.274 173.9408 166.7887 
1 1 1  -19   29    3 o  584.460   81.027   1.7494   0.4240   2.0600   0.5329   1.2135   0.7001  622.836   96.078  435.921  147.115 186.9150 175.7096 
1 1 1  -19   29    4 o  220.104   95.609   0.0387   0.3601   0.5415   0.4531  -0.8227   0.5931  320.997  117.495  201.449   98.257 119.5481 153.1654 
1 1 1  -19   29    5 o  469.750  134.769   1.3338   0.6129   1.6392   1.5798   1.2797   0.6650  458.012  199.598  453.351  142.796 4.660614 245.4180 
1 1 1  -19   29    6 o  423.227  130.895   1.0669   0.5616   3.2854   1.7824   0.8223   0.5918  573.914  227.266  376.251  134.748 197.6627 264.2098 
1 1 1  -19   29    7 f  494.419  100.782   1.3207   0.4430   1.0866   0.6119   1.5785   0.6421  422.618  137.375  512.651  134.453 -90.03305 192.2222 
1 1 1  -19   29    8 o  439.562  137.541   1.1853   0.6181   1.6327   0.6858  -0.7503   1.4264  514.308  140.797  322.580  156.189 191.7274 210.2823 
1 1 1  -19   29    9 o  300.478  112.100   0.4531   0.4159   0.2826   0.5928   0.6183   0.5837  294.299  125.161  340.194  131.413 -45.89566 181.4787 
1 1 1  -19   29   10 o  441.273  115.223   1.1210   0.4729   1.1943   0.6860   1.0546   0.6529  430.760  145.625  409.277  141.957 21.48242 203.3676 
1 1 1  -19   29   11 o  583.978   98.862   1.8477   0.5123   2.7287   0.8125   1.2665   0.6600  669.411  136.536  443.012  142.552 226.3989 197.3907 
1 1 1  -19   29   12 o  485.841  114.493   1.3662   0.5035   1.9457   0.8398   1.0411   0.6290  527.781  159.462  403.307  139.372 124.4745 211.7844 
1 1 1  -19   29   13 o  234.790  108.368  -0.1606   0.5465   0.0942   0.6758  -0.6417   0.9287  279.207  125.584  264.201  127.459 15.00623 178.9330 
1 1 1  -19   31    1 o  178.962   85.573  -0.3467   0.3979  -0.2890   0.4766  -0.4796   0.7229  201.892   95.713  231.943  112.034 -30.05104 147.3515 
1 1 1  -19   31    2 o  464.168  106.488   1.2797   0.4452   1.3543   0.5234   1.0844   0.8464  460.564  121.682  372.818  153.351 87.74582 195.7626 
1 1 1  -19   31    3 o  241.125  102.966   0.1801   0.4042   0.4501   0.4894  -0.3993   0.7169  291.519  117.838  238.914  114.404 52.60478 164.2380 
1 1 1  -19   31    4 o  364.442  140.122   0.9143   0.6613   1.8048   1.4895   0.6957   0.7381  411.467  185.628  335.339  140.979 76.12860 233.0940 
1 1 1  -19   31    5 o  264.020  110.422   0.2829   0.4491  -0.0590   0.5894   0.7563   0.6935  245.738  113.105  343.322  139.736 -97.58421 179.7750 
1 1 1  -19   31    6 o  199.577   93.423  -0.2271   0.4290   0.6921   0.5996  -1.1908   0.6140  334.569  132.029  182.109   90.817 152.4608 160.2480 
1 1 1  -19   31    7 o  273.216  121.691   0.1849   0.6180   0.3034   0.6619  -0.6216   1.7264  289.972  127.701  318.911  157.885 -28.93903 203.0646 
1 1 1  -19   31    8 o  345.885  134.161   0.7695   0.6104   0.6138   0.6473   2.0178   1.8329  324.509  133.869  413.335  193.363 -88.82608 235.1812 
1 1 1  -19   31    9 o  287.339  124.420   0.3329   0.6059   0.3016   0.6546   0.5197   1.6014  288.482  127.023  349.996  168.474 -61.51416 210.9933 
1 1 1  -19   31   10 o  332.972  164.483  -0.2086   1.8373  -0.2086   1.8373   0.0000   0.0000  332.972  164.483  ?   ?  0.000000 164.4829 
1 1 1  -19   33    1 o  352.391  174.581   2.9789   2.1243   0.0000   0.0000   2.9789   2.1243  ?   ?   352.391  174.581 0.000000 174.5805 
1 1 1  -19   33    2 o  356.297  177.096   3.0399   2.2559   0.0000   0.0000   3.0399   2.2559  ?   ?   356.297  177.096 0.000000 177.0955 
1 1 1  -19   33    3 o  342.019  169.651   1.8775   2.0293   0.0000   0.0000   1.8775   2.0293  ?   ?   342.019  169.651 0.000000 169.6506 
1 1 1  -19   33    4 o  272.470  138.929  -2.0288   1.9826   0.0000   0.0000  -2.0288   1.9826  ?   ?   272.470  138.929 0.000000 138.9293 
1 1 1  -18    0    1 o  1425.06   53.768   9.4213   0.7028   9.4213   0.7028   9.4213   0.7028  1425.06   53.768  1425.06   53.768 0.000000 0.000000 
1 1 1  -18    0    2 o  799.950   64.548   3.0174   0.4680   3.0174   0.4680   3.0174   0.4680  799.950   64.548  799.950   64.548 0.000000 0.000000 
1 1 1  -18    0    3 o  1346.35   54.787   8.4146   0.6762   8.4146   0.6762   8.4146   0.6762  1346.35   54.787  1346.35   54.787 0.000000 0.000000 
1 1 1  -18    0    4 o  699.916   69.751   2.3352   0.4390   2.3352   0.4390   2.3352   0.4390  699.916   69.751  699.916   69.751 0.000000 0.000000 
1 1 1  -18    0    5 o  430.848  108.571   1.0121   0.3723   1.0121   0.3723   1.0121   0.3723  430.848  108.571  430.848  108.571 -0.000000 0.000000 
1 1 1  -18    0    6 o  989.570   93.843   4.6913   0.8369   4.6913   0.8369   4.6913   0.8369  989.570   93.843  989.570   93.843 -0.000000 0.000000 
1 1 1  -18    0    7 o  2061.34   82.047   19.903   1.5506   19.903   1.5506   19.903   1.5506  2061.34   82.047  2061.34   82.047 0.000000 0.000000 
1 1 1  -18    0    8 o  617.112   95.996   1.9065   0.5058   1.9065   0.5058   1.9065   0.5058  617.112   95.996  617.112   95.996 -0.000000 0.000000 
1 1 1  -18    0    9 o  1522.91   63.482   10.839   0.8861   10.839   0.8861   10.839   0.8861  1522.91   63.482  1522.91   63.482 0.000000 0.000000 
1 1 1  -18    0   10 o  752.171  137.418   2.9720   0.8572   2.9720   0.8572   2.9720   0.8572  752.171  137.418  752.171  137.418 -0.000000 0.000000 
1 1 1  -18    0   11 o  1566.31   65.053   11.515   0.9339   11.515   0.9339   11.515   0.9339  1566.31   65.053  1566.31   65.053 -0.000000 0.000000 
1 1 1  -18    0   12 o  1521.87   68.634   10.922   0.9567   10.922   0.9567   10.922   0.9567  1521.87   68.634  1521.87   68.634 0.000000 0.000000 
1 1 1  -18    0   13 o  633.975  113.514   2.1049   0.5990   2.1049   0.5990   2.1049   0.5990  633.975  113.514  633.975  113.514 0.000000 0.000000 
1 1 1  -18    0   14 o  1381.38   74.803   9.0850   0.9445   9.0850   0.9445   9.0850   0.9445  1381.38   74.803  1381.38   74.803 -0.000000 0.000000 
1 1 1  -18    0   15 o  141.303   96.403  -0.1999   0.3891  -0.1999   0.3891  -0.1999   0.3891  141.303   96.403  141.303   96.403 0.000000 0.000000 
1 1 1  -18    0   16 o  744.854   84.084   2.7279   0.5574   2.7279   0.5574   2.7279   0.5574  744.854   84.084  744.854   84.084 -0.000000 0.000000 
1 1 1  -18    0   17 o  648.887  101.940   2.1538   0.5638   2.1538   0.5638   2.1538   0.5638  648.887  101.940  648.887  101.940 -0.000000 0.000000 
1 1 1  -18    0   18 o  1065.05   71.772   5.4007   0.6960   5.4007   0.6960   5.4007   0.6960  1065.05   71.772  1065.05   71.772 -0.000000 0.000000 
1 1 1  -18    0   19 o  1450.80   68.479   9.9186   0.9095   9.9186   0.9095   9.9186   0.9095  1450.80   68.479  1450.80   68.479 0.000000 0.000000 
1 1 1  -18    0   20 o  800.072  117.992   3.2616   0.8132   3.2616   0.8132   3.2616   0.8132  800.072  117.992  800.072  117.992 0.000000 0.000000 
1 1 1  -18    0   21 o  1073.32   80.016   5.5149   0.7802   5.5149   0.7802   5.5149   0.7802  1073.32   80.016  1073.32   80.016 0.000000 0.000000 
1 1 1  -18    0   22 o  729.239  229.690   3.5089   1.3541   3.5089   1.3541   3.5089   1.3541  729.239  229.690  729.239  229.690 -0.000000 0.000000 
1 1 1  -18    0   23 o  594.083  127.353   1.9368   0.6113   1.9368   0.6113   1.9368   0.6113  594.083  127.353  594.083  127.353 0.000000 0.000000 
1 1 1  -18    0   24 o  241.895  145.057   0.3897   0.5787   0.3897   0.5787   0.3897   0.5787  241.895  145.057  241.895  145.057 0.000000 0.000000 
1 1 1  -18    0   25 o  733.116  112.842   2.8653   0.7076   2.8653   0.7076   2.8653   0.7076  733.116  112.842  733.116  112.842 -0.000000 0.000000 
1 1 1  -18    0   26 o  906.701  145.460   4.7148   1.1199   4.7148   1.1199   4.7148   1.1199  906.701  145.460  906.701  145.460 0.000000 0.000000 
1 1 1  -18    2    1 o  1792.82   36.524   14.842   0.6025   14.050   0.8437   15.665   0.8608  1741.00   52.663  1838.78   50.875 -97.78284 73.22379 
1 1 1  -18    2    2 o  2055.78   41.812   19.529   0.7909   19.590   1.4239   19.502   0.9512  2048.87   75.524  2052.32   50.369 -3.449463 90.77950 
1 1 1  -18    2    3 o  1426.44   44.142   9.4057   0.5794   9.9764   1.0686   9.1681   0.6895  1459.19   79.887  1406.79   53.268 52.40063 96.01779 
1 1 1  -18    2    4 o  1696.52   42.388   13.300   0.6617   13.478   1.1413   13.210   0.8122  1700.57   72.935  1688.83   52.262 11.74512 89.72643 
1 1 1  -18    2    5 o  1184.18   47.358   6.4886   0.5160   7.6948   0.9304   5.9527   0.6202  1280.64   79.343  1130.77   59.816 149.8722 99.36404 
1 1 1  -18    2    6 o  195.312   84.521  -0.0300   0.2793   0.2857   0.5162  -0.1607   0.3321  311.252  122.601  194.754   87.777 116.4983 150.7835 
1 1 1  -18    2    7 o  750.104   63.617   2.6393   0.4350   2.7692   0.5349   2.3860   0.7473  765.130   77.024  695.663  121.140 69.46704 143.5532 
1 1 1  -18    2    8 o  1153.56   53.730   6.1829   0.5703   5.7146   0.6752   7.3486   1.0653  1104.15   66.775  1241.97   93.909 -137.8126 115.2298 
1 1 1  -18    2    9 o  839.158   61.819   3.3036   0.4740   3.7085   0.5996   2.6289   0.7739  885.707   74.253  728.488  119.610 157.2191 140.7837 
1 1 1  -18    2   10 o  858.074   63.941   3.4647   0.5012   3.2336   0.5992   4.0037   0.9149  823.575   80.076  902.924  112.563 -79.34906 138.1391 
1 1 1  -18    2   11 o  1147.28   60.077   6.1759   0.6320   5.5988   1.0993   6.4609   0.7724  1065.79  113.853  1168.54   72.193 -102.7417 134.8118 
1 1 1  -18    2   12 o  847.211   59.340   3.3783   0.4597   2.9768   0.6494   3.7815   0.6507  782.703   91.920  888.474   80.471 -105.7713 122.1678 
1 1 1  -18    2   13 o  1151.15   46.738   6.1702   0.4951   5.4115   0.7695   6.7060   0.6467  1063.64   79.195  1195.95   58.762 -132.3115 98.61405 
1 1 1  -18    2   14 o  1752.96   43.442   14.287   0.7007   12.791   1.0489   15.493   0.9417  1645.44   69.276  1819.01   56.262 -173.5742 89.24451 
1 1 1  -18    2   15 o  297.082  100.971   0.4055   0.3298   0.2616   0.5333   0.4946   0.4197  304.740  123.071  328.150  113.819 -23.41049 167.6337 
1 1 1  -18    2   16 o  748.737   63.846   2.6515   0.4357   2.3259   0.6853   2.8723   0.5644  681.428  113.275  773.516   80.473 -92.08899 138.9496 
1 1 1  -18    2   17 o  1190.81   46.389   6.5921   0.5083   6.4530   0.7156   6.7337   0.7221  1169.96   66.748  1195.57   65.896 -25.61353 93.79536 
1 1 1  -18    2   18 o  1378.24   46.813   8.8224   0.5937   10.039   0.8746   7.7828   0.8085  1463.87   64.930  1285.89   68.576 177.9785 94.43808 
1 1 1  -18    2   19 o  1303.31   46.470   7.8782   0.5573   7.9644   0.7373   7.7633   0.8512  1306.54   61.328  1284.56   72.305 21.98169 94.81085 
1 1 1  -18    2   20 o  719.459   80.944   2.4643   0.5266   2.1231   0.7231   2.8494   0.7683  652.331  125.010  763.119  112.819 -110.7878 168.3914 
1 1 1  -18    2   21 o  734.973   60.611   2.5343   0.4063   2.2932   0.5220   2.9049   0.6470  692.765   83.571  777.936   92.182 -85.17084 124.4251 
1 1 1  -18    2   22 o  562.423   95.587   1.5446   0.4770   1.9466   0.6263   0.9894   0.7360  626.778  112.741  450.474  150.847 176.3036 188.3224 
1 1 1  -18    2   23 o  494.036  114.885   1.2337   0.5124   1.4626   0.6456   0.8442   0.8422  532.970  132.265  432.892  159.909 100.0776 207.5209 
1 1 1  -18    2   24 o  667.678   76.721   2.1423   0.4628   2.1633   0.6014   2.1119   0.7246  660.534  102.257  640.493  127.433 20.04059 163.3879 
1 1 1  -18    2   25 o  635.925   87.632   1.9860   0.4992   1.5097   0.6295   2.7923   0.8192  534.280  129.422  734.054  125.802 -199.7745 180.4892 
1 1 1  -18    2   26 o  580.918  141.740   1.8438   0.7510   1.9298   0.9245   1.6770   1.2876  579.749  165.252  533.434  197.584 46.31451 257.5809 
1 1 1  -18    4    1 o  1047.29   44.920   5.0775   0.4329   4.1442   0.6845   5.6998   0.5589  936.657   80.187  1107.95   54.817 -171.2889 97.13306 
1 1 1  -18    4    2 o  975.181   46.007   4.4017   0.4128   3.8358   0.6691   4.7495   0.5246  901.107   81.581  1009.87   56.683 -108.7591 99.33996 
1 1 1  -18    4    3 o  923.285   47.601   3.9567   0.4030   3.3579   0.6445   4.3413   0.5165  842.166   84.299  965.143   58.431 -122.9767 102.5694 
1 1 1  -18    4    4 o  527.816   56.597   1.3075   0.2706   1.2135   0.4069   1.3820   0.3623  500.420   91.749  538.951   75.098 -38.53101 118.5647 
1 1 1  -18    4    5 o  1060.84   42.443   5.2047   0.4143   4.5774   0.5738   5.8876   0.5988  989.779   63.340  1124.31   58.078 -134.5345 85.93559 
1 1 1  -18    4    6 o  202.150   85.419   0.0223   0.2732   0.2931   0.5013  -0.0920   0.3258  308.714  121.075  201.744   89.181 106.9694 150.3742 
1 1 1  -18    4    7 o  930.125   54.768   4.0341   0.4667   5.1668   0.8777   3.5876   0.5510  1041.02   92.588  873.439   69.125 167.5807 115.5455 
1 1 1  -18    4    8 o  324.799  127.139   0.3426   0.5520   0.3426   0.5520   0.0000   0.0000  324.799  127.139  ?   ?  0.000000 127.1393 
1 1 1  -18    4    9 o  442.437   93.415   0.9651   0.3684   0.9758   0.4501   0.9432   0.6410  441.237  110.973  436.749  140.481 4.487823 179.0246 
1 1 1  -18    4   10 o  559.586   72.168   1.4972   0.3629   1.4558   0.5148   1.5381   0.5117  540.225  107.348  556.950  103.671 -16.72473 149.2360 
1 1 1  -18    4   11 o  1033.39   61.808   5.0241   0.5850   5.0912   1.0138   4.9906   0.7164  1016.64  110.128  1023.94   76.586 -7.294800 134.1403 
1 1 1  -18    4   12 o  656.220   60.068   2.0357   0.3587   1.7684   0.5440   2.2413   0.4771  596.025  102.904  683.096   77.261 -87.07111 128.6802 
1 1 1  -18    4   13 o  557.247   71.258   1.4913   0.3570   1.9553   0.5640   1.1810   0.4612  627.460  101.121  482.958  106.625 144.5023 146.9502 
1 1 1  -18    4   14 o  880.087   56.056   3.6408   0.4516   4.0615   0.7241   3.3729   0.5777  916.616   86.884  839.689   75.582 76.92664 115.1586 
1 1 1  -18    4   15 o  520.775   80.740   1.3190   0.3744   1.0179   0.5828   1.5304   0.4885  444.207  132.534  554.850   99.325 -110.6426 165.6224 
1 1 1  -18    4   16 o  373.715   90.179   0.6950   0.3065   0.4403   0.4266   0.9668   0.4408  318.255  114.362  436.767  109.802 -118.5122 158.5401 
1 1 1  -18    4   17 o  1027.55   49.875   4.9161   0.4716   4.8191   0.6549   5.0205   0.6796  1008.96   70.993  1029.42   72.204 -20.46533 101.2589 
1 1 1  -18    4   18 o  636.107   61.229   1.9081   0.3540   2.0167   0.4647   1.7579   0.5463  648.916   79.486  597.279  103.126 51.63708 130.2037 
1 1 1  -18    4   19 o  969.476   55.934   4.3886   0.4969   3.8355   0.6776   5.0319   0.7308  898.111   82.924  1031.61   77.552 -133.4948 113.5372 
1 1 1  -18    4   20 o  408.203  109.857   0.8266   0.4217   0.3817   0.5391   1.5280   0.6770  329.221  126.531  548.623  135.016 -219.4017 185.0389 
1 1 1  -18    4   21 o  665.086   69.973   2.0931   0.4218   2.5845   0.5633   1.4660   0.6364  735.405   84.801  538.004  129.997 197.4010 155.2109 
1 1 1  -18    4   22 f  420.914  115.875   0.8871   0.4630   0.9766   0.6201   0.7745   0.6960  442.264  137.668  411.826  146.274 30.43787 200.8692 
1 1 1  -18    4   23 o  386.426  123.263   0.7340   0.4943   0.4061   0.5855   1.5473   0.9221  337.447  131.258  539.508  167.867 -202.0613 213.0917 
1 1 1  -18    4   24 o  1238.26   56.839   7.1850   0.6476   6.6566   0.8392   7.9629   1.0183  1180.29   77.709  1285.71   86.574 -105.4216 116.3342 
1 1 1  -18    4   25 o  226.638  101.246  -0.1207   0.4312   0.6012   0.5802  -1.0119   0.6447  361.942  132.879  211.788  103.110 150.1543 168.1920 
1 1 1  -18    6    1 o  1291.53   36.925   7.7134   0.4388   7.2751   0.6119   8.1775   0.6297  1250.92   53.160  1326.64   51.582 -75.71777 74.07208 
1 1 1  -18    6    2 o  2023.07   34.626   18.909   0.6446   18.414   0.9055   19.417   0.9178  1992.16   49.396  2045.90   48.752 -53.73560 69.40269 
1 1 1  -18    6    3 o  1086.98   39.798   5.4650   0.3981   5.1570   0.5628   5.7733   0.5631  1051.12   58.421  1114.55   54.903 -63.43127 80.17034 
1 1 1  -18    6    4 o  950.389   42.461   4.1808   0.3713   4.6334   0.5487   3.7984   0.5044  995.745   60.167  900.970   61.200 94.77484 85.82275 
1 1 1  -18    6    5 o  1767.67   37.862   14.448   0.6158   14.596   0.8848   14.309   0.8577  1772.08   54.262  1754.93   53.113 17.14758 75.92995 
1 1 1  -18    6    6 o  783.320   54.909   2.8673   0.3933   2.7503   0.4883   3.0834   0.6634  763.303   70.316  801.851   91.557 -38.54779 115.4430 
1 1 1  -18    6    7 o  716.202   61.978   2.4120   0.4044   2.2012   0.5027   2.7988   0.6810  678.345   82.210  759.750   99.826 -81.40460 129.3204 
1 1 1  -18    6    8 o  738.196   55.647   2.5533   0.3752   2.0232   0.5034   3.2160   0.5628  647.893   86.609  823.246   75.121 -175.3528 114.6490 
1 1 1  -18    6    9 o  1067.24   48.285   5.2964   0.4742   4.6763   0.6622   5.9488   0.6793  993.640   72.939  1124.12   65.957 -130.4792 98.33852 
1 1 1  -18    6   10 o  423.216   79.226   0.8751   0.2972   0.4254   0.4617   1.1932   0.3883  320.765  118.415  492.863   88.896 -172.0984 148.0697 
1 1 1  -18    6   11 o  308.750   98.327   0.4578   0.3146   0.0566   0.6717   0.5706   0.3561  305.565  131.655  340.404  104.055 -34.83932 167.8110 
1 1 1  -18    6   12 o  534.995   98.678   1.4270   0.4679   2.1766   0.8408   1.0908   0.5631  639.389  146.101  458.162  128.414 181.2267 194.5142 
1 1 1  -18    6   13 o  242.570   92.350   0.2117   0.2855   0.4038   0.3933  -0.0025   0.4152  304.704  109.769  238.782  103.190 65.92142 150.6568 
1 1 1  -18    6   14 f  747.380   54.328   2.6264   0.3711   2.8491   0.5264   2.4064   0.5232  771.259   75.124  705.515   82.124 65.74390 111.3016 
1 1 1  -18    6   15 o  458.552   76.725   1.0228   0.3123   1.0117   0.4371   1.0344   0.4463  446.616  107.638  451.331  108.751 -4.715363 153.0122 
1 1 1  -18    6   16 o  633.095   64.468   1.9019   0.3703   1.6695   0.5176   2.1456   0.5300  580.261  100.590  664.257   88.949 -83.99634 134.2766 
1 1 1  -18    6   17 o  257.835   97.466   0.2429   0.3166   0.3631   0.4530   0.1282   0.4427  308.319  116.575  266.541  110.392 41.77789 160.5499 
1 1 1  -18    6   18 o  564.919   74.553   1.5264   0.3781   1.9660   0.5497   1.1318   0.5208  634.847   97.200  473.146  119.568 161.7009 154.0921 
1 1 1  -18    6   19 o  857.434   67.416   3.4596   0.5276   2.7869   0.7796   4.0280   0.7167  752.160  116.401  919.588   85.682 -167.4285 144.5363 
1 1 1  -18    6   20 o  1013.84   63.995   4.8172   0.5940   5.0810   0.7961   4.4861   0.8920  1034.50   84.370  964.713  102.029 69.78284 132.3940 
1 1 1  -18    6   21 o  437.881   98.494   0.9485   0.3872   1.2242   0.5136   0.5855   0.5894  494.267  115.083  369.967  134.222 124.3007 176.8040 
1 1 1  -18    6   22 o  268.860  110.651   0.1408   0.4410   0.1861   0.6044   0.0892   0.6447  310.833  128.885  306.894  130.524 3.938812 183.4337 
1 1 1  -18    6   23 o  332.324  125.037   0.4422   0.5196   1.2459   0.6467  -1.0219   0.8729  489.352  137.779  264.249  126.456 225.1031 187.0139 
1 1 1  -18    6   24 o  201.629   93.238  -0.2892   0.4073  -0.4827   0.5316  -0.0139   0.6340  219.390  103.110  288.392  126.039 -69.00211 162.8421 
1 1 1  -18    6   25 o  341.195  118.601   0.5583   0.4558   0.6936   0.5879   0.3543   0.7218  377.424  134.398  343.185  141.441 34.23846 195.1111 
1 1 1  -18    8    1 o  1468.44   37.958   9.9861   0.5129   9.9266   0.6676   10.072   0.8012  1460.66   49.671  1467.82   59.321 -7.154907 77.37082 
1 1 1  -18    8    2 o  992.027   42.111   4.5624   0.3844   4.7390   0.5107   4.3317   0.5839  1006.80   55.338  958.996   66.578 47.80670 86.57317 
1 1 1  -18    8    3 o  936.726   44.962   4.0711   0.3876   4.0865   0.5123   4.0506   0.5926  933.625   59.949  926.376   70.036 7.248413 92.18961 
1 1 1  -18    8    4 o  1100.59   44.484   5.6185   0.4505   5.3324   0.5801   6.0531   0.7150  1067.27   59.308  1134.01   68.847 -66.73425 90.86977 
1 1 1  -18    8    5 o  527.641   66.111   1.3234   0.3139   1.3161   0.4063   1.3343   0.4945  519.976   88.067  517.599  107.342 2.376221 138.8456 
1 1 1  -18    8    6 o  579.111   58.792   1.5813   0.3089   1.6561   0.4480   1.5134   0.4266  585.195   85.751  558.951   85.671 26.24438 121.2133 
1 1 1  -18    8    7 o  276.586   82.385   0.3684   0.2253  -0.1791   0.3645   0.7070   0.2867  201.870   91.381  378.834   84.401 -176.9647 124.3952 
1 1 1  -18    8    8 o  424.778   68.123   0.8687   0.2573   1.0374   0.4297   0.7744   0.3212  454.398  104.890  395.068   90.327 59.33014 138.4232 
1 1 1  -18    8    9 f  640.603   61.518   1.9422   0.3582   2.0687   0.5161   1.8247   0.4974  652.138   88.281  610.693   91.324 41.44482 127.0184 
1 1 1  -18    8   10 o  236.585   87.493   0.2180   0.2523  -0.2470   0.3972   0.5326   0.3266  203.460   93.350  328.869   99.468 -125.4095 136.4115 
1 1 1  -18    8   11 o  747.039   48.692   2.6142   0.3329   2.6683   0.4641   2.5568   0.4777  748.502   68.132  731.158   71.935 17.34381 99.07865 
1 1 1  -18    8   12 o  949.836   57.830   4.2498   0.5030   4.0697   0.6773   4.4714   0.7512  919.275   80.891  961.234   85.837 -41.95886 117.9466 
1 1 1  -18    8   13 o  447.552   77.395   0.9790   0.3072   0.9473   0.4231   1.0143   0.4468  431.044  107.130  445.372  109.735 -14.32785 153.3577 
1 1 1  -18    8   14 o  1402.85   42.229   9.1483   0.5451   9.5711   0.7803   8.7452   0.7619  1427.76   59.393  1364.16   60.695 63.59521 84.91944 
1 1 1  -18    8   15 o  272.865   97.847   0.3166   0.3121   0.8168   0.4602  -0.1093   0.4247  401.196  117.278  227.802  101.206 173.3939 154.9086 
1 1 1  -18    8   16 o  488.659  103.197   1.1973   0.4495   1.8558   1.0070   1.0335   0.5023  581.772  174.352  449.538  119.408 132.2339 211.3219 
1 1 1  -18    8   17 o  397.462  107.934   0.7918   0.4049   0.3251   0.8431   0.9318   0.4617  367.642  152.312  429.470  114.670 -61.82806 190.6523 
1 1 1  -18    8   18 f  580.411  101.236   1.6549   0.5210   2.4972   1.1777   1.4500   0.5810  679.171  183.921  536.223  120.658 142.9473 219.9666 
1 1 1  -18    8   19 o  828.649   62.430   3.2226   0.4725   3.5022   0.6907   2.9765   0.6479  855.680   89.024  787.449   91.097 68.23071 127.3732 
1 1 1  -18    8   20 o  1273.51   75.372   7.6466   0.8793   9.0647   1.6241   7.0586   1.0458  1354.66  131.969  1215.11   94.276 139.5487 162.1841 
1 1 1  -18    8   21 o  541.024   99.989   1.4407   0.4794   0.8323   0.5987   2.5281   0.8004  414.096  135.956  709.413  127.296 -295.3175 186.2478 
1 1 1  -18    8   22 o  1106.79   64.259   5.7626   0.6516   5.1596   0.8328   6.7149   1.0465  1037.05   88.102  1178.84   97.345 -141.7979 131.2936 
1 1 1  -18    8   23 o  482.287  118.170   1.1946   0.5203   1.2238   0.6574   1.1456   0.8513  482.849  139.882  471.776  162.186 11.07230 214.1759 
1 1 1  -18    8   24 f  476.578  105.996   1.1611   0.4528   1.9152   0.6026   0.1826   0.6863  613.090  110.890  318.858  135.100 294.2318 174.7810 
1 1 1  -18    8   25 o  560.316  146.764   1.7418   0.7657   3.1893   1.4915   1.2238   0.8923  700.062  212.732  471.317  165.814 228.7449 269.7206 
1 1 1  -18   10    1 o  1082.32   35.615   5.4285   0.3547   5.2883   0.5036   5.5664   0.4996  1064.12   51.434  1092.27   49.712 -28.15271 71.53122 
1 1 1  -18   10    2 o  1179.66   36.039   6.4473   0.3912   6.5187   0.5569   6.3777   0.5496  1181.99   51.206  1169.18   51.086 12.81641 72.33131 
1 1 1  -18   10    3 o  1240.12   37.321   7.1271   0.4259   7.2211   0.6119   7.0387   0.5931  1243.57   53.471  1228.09   52.487 15.48389 74.92691 
1 1 1  -18   10    4 o  410.939   55.696   0.8030   0.2052   0.7873   0.3607   0.8105   0.2495  396.239   99.175  409.638   68.606 -13.39966 120.5921 
1 1 1  -18   10    5 o  128.924   60.169  -0.1630   0.1758  -0.6848   0.3096   0.0851   0.2135  135.899   67.205  193.095   77.910 -57.19565 102.8907 
1 1 1  -18   10    6 o  279.787   81.699   0.3808   0.2235   0.3235   0.3784   0.4115   0.2769  286.496  106.918  292.997   92.120 -6.500580 141.1295 
1 1 1  -18   10    7 o  391.991   69.485   0.7457   0.2415   0.6922   0.3911   0.7786   0.3069  371.368  107.978  396.127   86.622 -24.75964 138.4292 
1 1 1  -18   10    8 o  352.661   72.553   0.6097   0.2276   0.7550   0.3312   0.4798   0.3132  387.953   93.819  313.887   97.861 74.06598 135.5688 
1 1 1  -18   10    9 o  371.648   90.150   0.6918   0.3051   0.1114   0.4244   1.3130   0.4390  257.510  107.488  512.711   96.604 -255.2005 144.5198 
1 1 1  -18   10   10 o  795.864   45.223   2.9608   0.3298   2.7108   0.4608   3.2235   0.4723  754.263   67.088  824.680   62.711 -70.41766 91.83429 
1 1 1  -18   10   11 o  180.217   78.875  -0.0397   0.2491  -0.4112   0.3409   0.3857   0.3648  167.788   79.944  295.757  105.810 -127.9693 132.6155 
1 1 1  -18   10   12 o  1213.04   53.408   6.8928   0.5961   7.1488   0.8176   6.6022   0.8711  1224.03   72.921  1171.06   81.343 52.97717 109.2437 
1 1 1  -18   10   13 o  921.394   48.445   3.9728   0.4093   3.8658   0.5665   4.0897   0.5920  901.206   68.830  926.569   69.955 -25.36346 98.13885 
1 1 1  -18   10   14 o  1057.39   46.577   5.2096   0.4532   5.0151   0.6237   5.4272   0.6596  1028.90   66.227  1069.98   67.339 -41.08301 94.44893 
1 1 1  -18   10   15 o  287.425   97.174   0.3798   0.3055   0.2312   0.4175   0.5510   0.4480  276.449  109.830  342.767  117.670 -66.31833 160.9624 
1 1 1  -18   10   16 o  1149.67   47.937   6.1519   0.5071   6.9002   0.7331   5.4653   0.7022  1209.64   66.113  1073.90   71.472 135.7396 97.36118 
1 1 1  -18   10   17 o  312.240   99.466   0.4636   0.3219   0.2566   0.4598   0.6627   0.4509  291.507  115.429  369.356  117.723 -77.84930 164.8717 
1 1 1  -18   10   18 o  827.642   65.871   3.2252   0.4975   3.4873   0.8000   3.0599   0.6353  846.643  104.942  798.956   87.863 47.68719 136.8672 
1 1 1  -18   10   19 o  657.229   71.142   2.0483   0.4234   1.3648   0.5846   2.8024   0.6140  519.725  123.972  764.163   88.985 -244.4385 152.6020 
1 1 1  -18   10   20 o  1258.50   65.667   7.4330   0.7578   8.6714   1.1376   6.4452   1.0161  1346.97   92.343  1158.56   96.178 188.4124 133.3322 
1 1 1  -18   10   21 o  433.783  135.356   0.9442   0.5991   0.5841   1.0393   1.1234   0.7331  422.779  171.437  470.228  150.127 -47.44943 227.8786 
1 1 1  -18   10   22 o  1222.29   73.213   7.0885   0.8196   9.9315   1.8898   6.4298   0.9096  1384.22  150.812  1157.24   86.040 226.9854 173.6294 
1 1 1  -18   10   23 o  582.352  122.732   1.7566   0.6369   1.9165   0.8599   1.5622   0.9481  591.348  155.830  530.953  170.860 60.39429 231.2496 
1 1 1  -18   10   24 o  229.354  101.006  -0.0557   0.4141  -0.0444   0.5243  -0.0745   0.6751  258.418  113.734  287.414  127.647 -28.99594 170.9653 
1 1 1  -18   10   25 o  258.202  121.492  -0.5731   0.7417   0.0995   0.9423  -1.6682   1.2024  344.902  152.106  283.904  138.782 60.99780 205.9046 
1 1 1  -18   12    1 o  231.626   81.594   0.2330   0.2161   0.2755   0.2295  -0.0996   0.6424  246.393   84.227  278.863  124.149 -32.46933 150.0236 
1 1 1  -18   12    2 o  1077.71   29.758   5.3759   0.2951   5.7118   0.5040   5.2007   0.3640  1105.00   49.568  1058.16   37.386 46.83337 62.08629 
1 1 1  -18   12    3 o  822.786   34.776   3.1395   0.2633   3.2202   0.4449   3.0960   0.3266  825.236   58.975  814.061   43.766 11.17517 73.44075 
1 1 1  -18   12    4 o  443.162   51.780   0.9311   0.2072   0.8497   0.3554   0.9729   0.2550  410.112   95.897  449.985   63.327 -39.87283 114.9201 
1 1 1  -18   12    5 o  883.934   38.877   3.6300   0.3162   2.5704   0.5067   4.3061   0.4047  730.183   76.549  960.935   45.769 -230.7516 89.18813 
1 1 1  -18   12    6 o  1261.12   32.406   7.3675   0.3761   7.0337   0.5260   7.7165   0.5378  1227.77   46.562  1286.41   45.432 -58.64038 65.05509 
1 1 1  -18   12    7 o  429.164   56.942   0.8797   0.2193   1.0609   0.3274   0.7321   0.2954  464.852   79.394  382.670   85.981 82.18246 117.0301 
1 1 1  -18   12    8 o  424.621   61.516   0.8669   0.2334   0.8985   0.3358   0.8374   0.3245  423.630   88.979  408.727   88.820 14.90289 125.7228 
1 1 1  -18   12    9 o  570.054   69.821   1.5656   0.3586   1.5101   0.5226   1.6150   0.4929  543.610  108.288  567.485   97.932 -23.87463 146.0033 
1 1 1  -18   12   10 o  770.601   47.508   2.7846   0.3352   3.3151   0.4930   2.3282   0.4572  834.606   64.694  695.526   72.507 139.0795 97.17339 
1 1 1  -18   12   11 o  783.386   48.589   2.8790   0.3485   3.9832   0.5224   1.9934   0.4679  916.562   62.314  639.691   81.321 276.8706 102.4509 
1 1 1  -18   12   12 o  348.881  102.579   0.6123   0.3512   0.6345   0.4661   0.5831   0.5341  359.314  120.049  355.154  127.931 4.159546 175.4368 
1 1 1  -18   12   13 o  1252.62   43.725   7.3051   0.5040   7.9275   0.7217   6.7126   0.7041  1297.94   60.425  1190.92   64.494 107.0258 88.37811 
1 1 1  -18   12   14 o  637.942   61.466   1.9305   0.3563   1.4398   0.4845   2.5089   0.5260  535.692  102.009  720.777   80.692 -185.0848 130.0652 
1 1 1  -18   12   15 o  438.709   87.514   0.9515   0.3409   0.5759   0.4665   1.3821   0.4994  349.900  120.069  523.687  107.251 -173.7866 160.9947 
1 1 1  -18   12   16 o  1401.22   46.313   9.1275   0.5971   8.2124   0.8212   10.154   0.8698  1319.72   67.857  1470.91   64.266 -151.1906 93.45893 
1 1 1  -18   12   17 o  262.205  103.570   0.2017   0.3693  -0.3970   0.5596   0.6635   0.4915  236.633  109.376  372.950  123.220 -136.3169 164.7617 
1 1 1  -18   12   18 o  233.343   98.159   0.0527   0.3582   0.1292   0.4995  -0.0283   0.5139  281.204  116.927  263.704  114.381 17.49954 163.5693 
1 1 1  -18   12   19 o  1142.84   54.377   6.0829   0.5718   5.6203   0.8153   6.5309   0.8023  1087.30   82.094  1175.74   74.540 -88.43652 110.8856 
1 1 1  -18   12   20 o  979.881   82.278   4.5802   0.7350   4.3984   0.9553   4.8441   1.1507  946.151  111.890  982.771  130.467 -36.61902 171.8749 
1 1 1  -18   12   21 o  276.914  110.946   0.2145   0.4296   0.6770   0.6109  -0.2379   0.6043  383.663  136.966  261.117  117.977 122.5455 180.7711 
1 1 1  -18   12   22 o  330.623  118.745   0.4893   0.4599   1.0866   0.6546  -0.0928   0.6462  455.386  141.389  283.023  125.329 172.3623 188.9396 
1 1 1  -18   12   23 o  630.830  124.182   2.0839   0.6952   1.8683   0.9161   2.3765   1.0674  572.644  164.908  638.363  176.022 -65.71924 241.2020 
1 1 1  -18   12   24 o  506.631  115.059   1.3510   0.5242   2.0805   0.7264   0.5587   0.7571  621.518  131.145  369.467  147.541 252.0508 197.4012 
1 1 1  -18   14    1 f  291.306  117.667   0.2744   0.4876  -0.0395   0.6558   0.6623   0.7290  284.036  125.995  378.659  146.690 -94.62274 193.3720 
1 1 1  -18   14    2 f  504.884   48.581   1.2062   0.2229   1.2882   0.3694   1.1592   0.2795  509.927   81.475  490.140   63.469 19.78680 103.2791 
1 1 1  -18   14    3 o  125.028   56.925  -0.0844   0.1440  -0.2373   0.2669  -0.0216   0.1710  157.939   73.857  150.938   65.729 7.001251 98.86926 
1 1 1  -18   14    4 o  971.872   31.203   4.3790   0.2790   4.5761   0.4004   4.1930   0.3891  989.785   43.964  947.230   44.641 42.55511 62.65524 
1 1 1  -18   14    5 o  399.044   54.592   0.7624   0.1952   0.9012   0.2896   0.6468   0.2643  427.324   76.450  359.153   81.794 68.17111 111.9596 
1 1 1  -18   14    6 o  611.484   42.911   1.7529   0.2399   1.9020   0.3424   1.6091   0.3363  631.791   59.594  579.052   64.198 52.73932 87.59486 
1 1 1  -18   14    7 o  936.095   37.687   4.0755   0.3246   3.7943   0.4552   4.3665   0.4631  896.024   55.480  962.751   52.472 -66.72650 76.36312 
1 1 1  -18   14    8 o  642.303   48.543   1.9424   0.2848   2.2803   0.4113   1.6313   0.3947  690.044   65.570  578.639   75.958 111.4047 100.3446 
1 1 1  -18   14    9 o  360.729   93.925   0.6609   0.3148   0.4025   0.4708   0.8699   0.4234  312.684  118.701  409.444  110.026 -96.76004 161.8508 
1 1 1  -18   14   10 f  1234.23   40.194   7.0901   0.4565   6.7458   0.6257   7.4819   0.6674  1197.03   56.811  1260.27   57.550 -63.24670 80.86682 
1 1 1  -18   14   11 o  748.361   52.554   2.6380   0.3596   2.7429   0.5066   2.5314   0.5106  754.808   73.884  723.055   77.970 31.75269 107.4160 
1 1 1  -18   14   12 o  629.060   75.393   1.9126   0.4277   1.8192   0.5736   2.0296   0.6419  598.820  108.082  629.620  115.026 -30.80029 157.8375 
1 1 1  -18   14   13 o  736.241   56.536   2.5577   0.3801   2.7589   0.5330   2.3494   0.5422  756.735   77.642  693.825   86.825 62.90979 116.4769 
1 1 1  -18   14   14 o  894.178   51.759   3.7474   0.4240   3.6588   0.5970   3.8377   0.6024  874.810   74.886  896.615   73.669 -21.80542 105.0480 
1 1 1  -18   14   15 o  1587.02   44.555   11.707   0.6506   11.608   0.9122   11.810   0.9283  1572.29   63.049  1585.56   63.630 -13.27002 89.57637 
1 1 1  -18   14   16 o  1249.43   53.335   7.2760   0.6132   8.4099   0.9691   6.5190   0.7919  1330.65   79.511  1173.65   73.697 156.9968 108.4125 
1 1 1  -18   14   17 o  443.590   96.564   0.9753   0.3830   0.3997   0.5205   1.6545   0.5655  327.079  124.655  576.182  110.677 -249.1025 166.6978 
1 1 1  -18   14   18 o  1070.15   54.614   5.3508   0.5360   5.3834   0.7648   5.3194   0.7514  1064.78   78.616  1058.79   77.666 5.987061 110.5101 
1 1 1  -18   14   19 o  1510.14   54.246   10.635   0.7538   10.476   0.9832   10.862   1.1740  1491.35   71.649  1509.41   84.873 -18.05994 111.0718 
1 1 1  -18   14   20 o  794.142   96.064   3.0769   0.6877   3.3551   0.9194   2.7236   1.0361  813.479  126.976  711.397  161.923 102.0814 205.7717 
1 1 1  -18   14   21 o  621.650   89.537   1.8952   0.4974   1.5679   0.6998   2.2293   0.7071  543.057  139.358  659.846  120.908 -116.7890 184.4975 
1 1 1  -18   14   22 o  386.136  120.766   0.7659   0.4766   1.7293   0.6967  -0.0810   0.6533  567.513  135.327  283.108  125.659 284.4049 184.6712 
1 1 1  -18   14   23 o  295.212  116.637   0.3136   0.4685   0.0840   0.6581   0.5496   0.6671  298.432  129.441  358.400  139.913 -59.96738 190.6060 
1 1 1  -18   16    1 f  481.098  129.225   1.2849   0.5842   1.4849   0.7578   0.9921   0.9172  503.589  151.326  427.450  164.835 76.13898 223.7630 
1 1 1  -18   16    2 o  392.984   74.813   0.7697   0.2606   0.9163   0.2747  -0.5534   0.8252  430.834   71.824  272.552  128.214 158.2822 146.9614 
1 1 1  -18   16    3 o  305.298   61.558   0.4584   0.1670   0.4363   0.2828   0.4702   0.2069  295.660   93.122  306.171   74.201 -10.51147 119.0689 
1 1 1  -18   16    4 o  623.288   42.900   1.8251   0.2445   1.8224   0.4092   1.8266   0.3050  610.558   74.372  619.840   54.015 -9.282593 91.91776 
1 1 1  -18   16    5 o  337.025   70.081   0.5632   0.2102   1.1968   0.3382   0.1642   0.2684  492.375   77.191  224.952   88.472 267.4237 117.4132 
1 1 1  -18   16    6 o  947.127   38.426   4.1790   0.3349   4.0790   0.4867   4.2690   0.4616  927.090   57.328  950.602   52.978 -23.51251 78.05829 
1 1 1  -18   16    7 o  791.023   42.283   2.9292   0.3066   3.2701   0.4473   2.6269   0.4212  829.338   59.003  741.492   62.308 87.84613 85.81140 
1 1 1  -18   16    8 o  621.781   49.705   1.8246   0.2820   1.7213   0.3925   1.9348   0.4055  595.205   73.203  632.476   70.891 -37.27069 101.9030 
1 1 1  -18   16    9 f  452.999   88.116   1.0290   0.3541   1.4635   0.5594   0.7386   0.4573  527.876  118.118  378.392  118.300 149.4837 167.1726 
1 1 1  -18   16   10 o  691.570   52.620   2.2574   0.3323   2.5021   0.4743   2.0214   0.4658  720.426   72.540  643.446   80.424 76.98035 108.3054 
1 1 1  -18   16   11 o  587.125   63.515   1.6480   0.3377   1.3309   0.4667   1.9964   0.4892  511.699  102.686  637.828   85.503 -126.1290 133.6236 
1 1 1  -18   16   12 o  244.898  101.561   0.1129   0.3754   0.0296   0.4886   0.2329   0.5864  260.510  112.265  307.696  127.214 -47.18546 169.6672 
1 1 1  -18   16   13 o  364.620   93.260   0.6676   0.3141   0.4920   0.4443   0.8431   0.4443  329.173  116.875  405.900  114.162 -76.72684 163.3796 
1 1 1  -18   16   14 o  591.924   68.420   1.6732   0.3658   2.3388   0.5335   1.0828   0.5025  694.797   85.235  459.424  118.190 235.3734 145.7185 
1 1 1  -18   16   15 o  859.623   60.401   3.4765   0.4747   3.3013   0.7102   3.6180   0.6383  824.179   95.415  869.677   80.678 -45.49817 124.9521 
1 1 1  -18   16   16 o  227.427   94.446   0.0777   0.3253  -0.0340   0.4506   0.1993   0.4700  245.695  106.838  284.019  115.249 -38.32425 157.1519 
1 1 1  -18   16   17 o  295.277  106.148   0.3689   0.3675   0.9650   0.5237  -0.2098   0.5160  436.057  124.405  242.553  109.356 193.5041 165.6360 
1 1 1  -18   16   18 o  383.392  103.730   0.7362   0.3748   0.2486   0.5003   1.3601   0.5659  297.485  119.534  515.965  121.247 -218.4797 170.2616 
1 1 1  -18   16   19 f  1195.48   58.787   6.6986   0.6467   6.0942   0.8170   7.7126   1.0582  1129.41   79.114  1263.42   91.646 -134.0092 121.0705 
1 1 1  -18   16   20 o  194.568   93.744  -0.6922   0.4986  -0.8923   0.7180  -0.5058   0.6929  236.477  113.568  256.652  119.673 -20.17516 164.9828 
1 1 1  -18   16   21 o  383.708  116.306   0.7586   0.4462   0.2418   0.6060   1.3707   0.6595  310.689  128.959  502.866  138.245 -192.1772 189.0562 
1 1 1  -18   16   22 o  350.573  134.080   0.5475   0.6035   0.1356   0.8153   1.0470   0.8977  328.824  143.340  442.007  164.730 -113.1829 218.3628 
1 1 1  -18   16   23 o  433.685  187.659   0.7665   1.3766   0.7665   1.3766   0.0000   0.0000  433.685  187.659  ?   ?  0.000000 187.6593 
1 1 1  -18   18    1 o  335.648   57.539   0.5496   0.1713   0.7103   0.2376   0.3758   0.2472  377.807   70.954  274.948   87.119 102.8590 112.3578 
1 1 1  -18   18    2 o  154.549   61.969   0.0602   0.1342   0.6887   0.2503  -0.1931   0.1589  370.346   75.986  115.039   54.748 255.3075 93.65517 
1 1 1  -18   18    3 f  690.448   38.706   2.2321   0.2449   2.2129   0.4188   2.2420   0.3019  675.323   68.339  688.826   47.933 -13.50323 83.47332 
1 1 1  -18   18    4 o  215.534   75.430   0.2056   0.1845   0.7240   0.3539   0.0121   0.2163  372.540  100.790  175.860   75.212 196.6802 125.7596 
1 1 1  -18   18    5 o  325.190   94.241   0.5401   0.2983   0.3357   0.3790   0.8734   0.4839  283.029  106.720  403.860  120.818 -120.8315 161.2017 
1 1 1  -18   18    6 o  1037.90   60.728   5.1325   0.5775   5.0504   0.6488   5.4453   1.2664  1024.30   69.246  998.504  141.815 25.79816 157.8179 
1 1 1  -18   18    7 o  728.907   72.691   2.5755   0.4810   2.5986   0.5377   2.4826   1.0768  727.436   81.745  641.116  176.798 86.31934 194.7816 
1 1 1  -18   18    8 o  558.537   61.507   1.4954   0.3109   2.1187   0.5430   1.1916   0.3792  650.774   93.356  487.722   87.709 163.0526 128.0941 
1 1 1  -18   18    9 o  469.186   91.773   1.1097   0.3820   0.9298   0.7294   1.1777   0.4484  422.401  149.778  478.045  104.832 -55.64447 182.8203 
1 1 1  -18   18   10 o  817.111   51.304   3.1427   0.3838   3.4925   0.5973   2.8968   0.5008  849.825   77.227  776.428   70.885 73.39703 104.8270 
1 1 1  -18   18   11 o  408.741  106.533   0.8580   0.4048   1.4263   0.5397   0.1272   0.6120  525.025  114.897  298.425  127.048 226.5995 171.2963 
1 1 1  -18   18   12 o  242.563   93.756   0.2011   0.2973  -0.2391   0.4137   0.6709   0.4274  208.733   95.586  365.798  114.365 -157.0657 149.0511 
1 1 1  -18   18   13 o  770.651   57.220   2.7972   0.4029   2.6402   0.5733   2.9505   0.5663  737.943   86.041  783.316   79.673 -45.37262 117.2641 
1 1 1  -18   18   14 o  378.599  102.851   0.7191   0.3676   1.6752   0.5856   0.0972   0.4723  575.540  114.597  268.238  112.771 307.3016 160.7786 
1 1 1  -18   18   15 o  416.332   96.631   0.8657   0.3631   0.6371   0.5446   1.0485   0.4870  370.420  129.592  453.789  116.151 -83.36911 174.0261 
1 1 1  -18   18   16 o  263.481  103.073   0.2224   0.3626  -0.0200   0.4993   0.4932   0.5276  259.311  112.611  342.267  126.537 -82.95554 169.3896 
1 1 1  -18   18   17 o  390.315  106.936   0.7684   0.3954   0.2525   0.5378   1.3757   0.5835  304.385  123.356  516.403  124.288 -212.0179 175.1122 
1 1 1  -18   18   18 o  571.472   88.487   1.6029   0.4503   1.6399   0.5788   1.5462   0.7166  566.958  114.884  538.562  142.415 28.39594 182.9763 
1 1 1  -18   18   19 o  1085.99   59.324   5.5687   0.5906   6.0051   0.8409   5.1439   0.8297  1114.75   82.561  1027.60   88.610 87.15552 121.1116 
1 1 1  -18   18   20 o  368.895  128.801   0.6746   0.5379   1.5011   0.8668   0.1571   0.6859  513.255  163.184  312.941  133.896 200.3139 211.0858 
1 1 1  -18   18   21 o  338.334  119.580   0.5608   0.4646   0.4084   0.6518   0.7182   0.6623  334.695  135.751  380.612  141.562 -45.91638 196.1329 
1 1 1  -18   18   22 o  348.851  165.702  -0.6991   1.4421   0.0000   0.0000  -0.6991   1.4421  ?   ?   348.851  165.702 0.000000 165.7020 
1 1 1  -18   20    1 o  427.881   55.216   0.8823   0.2123   0.8948   0.2680   0.8611   0.3479  424.991   71.044  406.636   94.742 18.35458 118.4200 
1 1 1  -18   20    2 o  588.635   47.872   1.6416   0.2570   1.3388   0.3360   2.0688   0.3991  521.688   71.905  652.530   67.449 -130.8423 98.58807 
1 1 1  -18   20    3 o  630.910   45.717   1.8785   0.2636   2.3047   0.4188   1.5989   0.3392  689.839   66.817  574.223   65.368 115.6167 93.47396 
1 1 1  -18   20    4 o  762.904   42.090   2.7311   0.2943   2.7067   0.4766   2.7462   0.3742  746.735   70.188  760.343   53.833 -13.60767 88.45547 
1 1 1  -18   20    5 o  608.058   51.023   1.7533   0.2828   2.2126   0.4700   1.4926   0.3541  671.375   77.510  552.846   71.273 118.5295 105.2980 
1 1 1  -18   20    6 o  714.542   48.473   2.4083   0.3168   2.5341   0.5275   2.3373   0.3963  717.623   81.321  698.339   62.321 19.28357 102.4548 
1 1 1  -18   20    7 o  277.836   85.833   0.3803   0.2416   0.2974   0.4058   0.4258   0.3007  281.209  109.300  295.038   96.319 -13.82837 145.6844 
1 1 1  -18   20    8 o  676.406   63.536   2.1900   0.3908   1.3631   0.5700   2.9236   0.5369  505.311  123.608  776.146   76.155 -270.8353 145.1846 
1 1 1  -18   20    9 o  711.064   55.599   2.3934   0.3609   2.3111   0.6005   2.4399   0.4515  678.799   99.050  712.345   69.784 -33.54559 121.1644 
1 1 1  -18   20   10 o  1058.34   71.843   5.3588   0.6955   4.7062   0.7672   8.3698   1.6478  983.616   85.617  1255.54  145.316 -271.9222 168.6627 
1 1 1  -18   20   11 o  372.044  125.036   0.6813   0.5057   0.4997   0.5545   1.5788   1.2325  343.566  129.186  533.072  193.979 -189.5062 233.0598 
1 1 1  -18   20   12 o  540.680  133.926   1.5380   0.6628   1.5875   0.7908   1.4212   1.2155  542.177  152.246  518.733  192.005 23.44403 245.0405 
1 1 1  -18   20   13 o  356.754  112.696   0.6277   0.4139   1.1026   0.7751   0.4382   0.4896  462.222  154.804  325.947  121.619 136.2748 196.8636 
1 1 1  -18   20   14 o  1051.31   57.561   5.1932   0.5547   4.4291   0.8522   5.7549   0.7307  951.460   98.784  1100.25   72.582 -148.7903 122.5819 
1 1 1  -18   20   15 o  436.210   97.672   0.9555   0.3823   1.0516   0.5906   0.8863   0.5015  449.984  133.227  416.188  122.639 33.79605 181.0796 
1 1 1  -18   20   16 o  690.825   77.305   2.2995   0.4830   2.4156   0.6854   2.1850   0.6807  692.457  111.342  654.891  117.265 37.56665 161.7040 
1 1 1  -18   20   17 o  198.712   92.412  -0.3182   0.4088  -0.6361   0.5404   0.1071   0.6251  209.473  100.040  299.162  127.907 -89.68860 162.3829 
1 1 1  -18   20   18 o  418.417  106.242   0.9045   0.4098   1.9044   0.6115   0.0893   0.5521  607.512  113.565  280.582  120.093 326.9296 165.2854 
1 1 1  -18   20   19 o  534.886  122.149   1.5290   0.5880   0.9605   0.8440   2.0653   0.8197  428.181  159.695  605.568  148.283 -177.3875 217.9226 
1 1 1  -18   20   20 o  265.529  109.332   0.1907   0.4308  -0.0917   0.6342   0.4326   0.5869  272.272  122.124  327.482  130.181 -55.20929 178.4969 
1 1 1  -18   20   21 o  426.315  138.319   1.0324   0.6204   1.1920   0.6969   0.4230   1.3617  452.013  146.598  398.379  178.800 53.63354 231.2149 
1 1 1  -18   22    1 o  214.475   79.654   0.1850   0.2095   0.1749   0.2542   0.2063   0.3700  222.701   86.529  255.231  102.713 -32.53047 134.3027 
1 1 1  -18   22    2 o  810.758   46.877   3.0995   0.3482   3.3042   0.4710   2.8527   0.5172  829.704   62.144  763.710   74.542 65.99432 97.04796 
1 1 1  -18   22    3 o  833.669   49.075   3.2818   0.3748   3.8620   0.5647   2.8249   0.5011  893.626   69.216  761.823   72.348 131.8032 100.1248 
1 1 1  -18   22    4 o  889.581   46.684   3.7234   0.3808   3.8029   0.5550   3.6527   0.5234  887.924   68.460  871.682   65.742 16.24231 94.91421 
1 1 1  -18   22    5 o  572.659   57.516   1.5668   0.2990   1.7763   0.4798   1.4337   0.3823  595.032   90.475  538.651   79.520 56.38196 120.4537 
1 1 1  -18   22    6 o  717.547   49.870   2.4290   0.3272   2.7479   0.5488   2.2531   0.4076  748.948   80.917  684.821   65.485 64.12720 104.0957 
1 1 1  -18   22    7 o  706.864   53.231   2.3624   0.3437   3.7038   0.6402   1.8191   0.4074  872.040   80.692  611.979   73.836 260.0613 109.3750 
1 1 1  -18   22    8 o  616.697   82.542   1.8644   0.4566   0.9020   1.0886   2.0698   0.5030  442.318  176.822  648.412   86.466 -206.0939 196.8306 
1 1 1  -18   22    9 o  638.074   67.041   1.9500   0.3877   1.8239   0.7378   1.9981   0.4557  581.891  139.585  641.263   78.900 -59.37128 160.3408 
1 1 1  -18   22   10 o  318.885  117.501   0.4382   0.4542   1.0218   0.6375  -0.1635   0.6474  441.157  139.910  275.098  123.390 166.0587 186.5469 
1 1 1  -18   22   11 o  548.365   82.153   1.4695   0.4018   1.3980   0.7151   1.5025   0.4857  509.608  145.369  547.322  100.124 -37.71399 176.5134 
1 1 1  -18   22   12 o  504.751   85.680   1.2548   0.3837   1.0057   0.6136   1.4147   0.4917  439.094  136.985  528.969  104.731 -89.87430 172.4340 
1 1 1  -18   22   13 o  950.855   59.154   4.2669   0.5150   4.6673   0.8340   4.0201   0.6547  976.580   93.971  914.116   78.603 62.46448 122.5116 
1 1 1  -18   22   14 o  368.725  111.040   0.6888   0.4077   0.4401   0.6359   0.8624   0.5313  344.578  135.967  408.909  127.452 -64.33139 186.3625 
1 1 1  -18   22   15 o  779.813   78.964   2.9452   0.5588   2.4381   0.7889   3.4557   0.7916  680.292  130.784  829.506  106.141 -149.2138 168.4352 
1 1 1  -18   22   16 o  224.605  107.157  -0.6748   0.6168  -0.6748   0.6168   0.0000   0.0000  224.605  107.157  ?   ?  0.000000 107.1573 
1 1 1  -18   22   17 o  636.815  120.701   2.1444   0.6814   2.5933   0.7955   0.9073   1.3205  695.658  129.019  448.444  188.554 247.2135 228.4699 
1 1 1  -18   22   18 o  855.204   79.065   3.5945   0.6151   4.2303   0.9835   3.1859   0.7884  890.358  123.353  779.765  113.188 110.5925 167.4139 
1 1 1  -18   22   19 o  351.269  141.536   0.5396   0.7035  -0.8403   1.3106   1.0982   0.8339  323.033  154.684  433.834  159.300 -110.8011 222.0441 
1 1 1  -18   22   20 o  440.695  195.398   1.0306   1.5756   0.0000   0.0000   1.0306   1.5756  ?   ?   440.695  195.398 0.000000 195.3983 
1 1 1  -18   24    1 o  906.354   49.468   3.8764   0.4110   3.9336   0.5266   3.7871   0.6575  905.760   63.580  876.753   82.469 29.00708 104.1328 
1 1 1  -18   24    2 o  643.869   60.050   1.9848   0.3517   2.2332   0.4661   1.6564   0.5359  675.525   76.319  564.534  107.077 110.9913 131.4914 
1 1 1  -18   24    3 f  604.984   62.812   1.7587   0.3446   1.7931   0.4798   1.7220   0.4952  598.257   89.932  583.053   95.617 15.20435 131.2644 
1 1 1  -18   24    4 o  1084.34   49.753   5.5229   0.4964   5.7087   0.7365   5.3683   0.6720  1086.77   74.093  1056.81   69.492 29.96460 101.5824 
1 1 1  -18   24    5 o  310.486   95.367   0.4822   0.2987   0.2449   0.4391   0.6866   0.4076  278.711  111.986  364.780  111.280 -86.06863 157.8740 
1 1 1  -18   24    6 o  412.157   85.710   0.8531   0.3145   0.8036   0.4869   0.8885   0.4119  392.319  121.969  413.508  107.314 -21.18954 162.4588 
1 1 1  -18   24    7 o  255.411  103.435   0.1786   0.3778   0.0000   0.0000   0.1786   0.3778  ?   ?   255.411  103.435 0.000000 103.4345 
1 1 1  -18   24    8 o  299.263  100.521   0.4270   0.3268   0.0026   0.5481   0.6613   0.4072  269.340  117.463  360.523  111.442 -91.18307 161.9162 
1 1 1  -18   24    9 o  495.375   79.471   1.2057   0.3500   0.4328   0.5552   1.7155   0.4509  330.258  127.993  590.090   85.534 -259.8316 153.9429 
1 1 1  -18   24   10 o  1094.63   64.727   5.6972   0.6491   5.6755   0.8731   5.7240   0.9705  1077.38   88.859  1074.27   99.299 3.110474 133.2520 
1 1 1  -18   24   11 o  1113.39   53.556   5.8225   0.5487   5.7845   0.8733   5.8473   0.7053  1088.07   87.976  1106.01   69.655 -17.94214 112.2121 
1 1 1  -18   24   12 o  848.899   63.162   3.4315   0.4898   3.4051   0.7764   3.4490   0.6313  822.038  105.048  841.159   82.636 -19.12085 133.6549 
1 1 1  -18   24   13 o  320.253  117.105   0.4632   0.4500   0.2055   0.6581   0.6894   0.6166  313.358  132.502  376.676  137.186 -63.31851 190.7269 
1 1 1  -18   24   14 o  363.805  119.323   0.6796   0.4612   0.5707   0.6792   0.7728   0.6284  362.024  141.214  389.299  138.912 -27.27579 198.0858 
1 1 1  -18   24   15 o  605.945   92.685   1.8543   0.5004   2.2822   0.8124   1.5928   0.6351  638.524  141.943  538.863  129.661 99.66132 192.2495 
1 1 1  -18   24   16 o  363.567  118.957   0.6995   0.4585   1.8206   0.7532   0.0395   0.5779  561.270  144.861  274.014  120.031 287.2560 188.1285 
1 1 1  -18   24   17 o  607.831   97.856   1.9183   0.5287   3.2037   0.8782   1.1873   0.6622  758.135  130.594  449.713  142.592 308.4225 193.3585 
1 1 1  -18   24   18 o  611.015  107.884   2.0036   0.5844   1.9883   0.9160   2.0141   0.7589  552.235  166.463  581.560  142.851 -29.32544 219.3545 
1 1 1  -18   26    1 o  300.451   96.076   0.4547   0.3002   0.0889   0.3472   1.5365   0.5971  229.530   96.605  528.942  124.717 -299.4122 157.7558 
1 1 1  -18   26    2 o  331.259   97.374   0.5659   0.3165   0.6496   0.3842   0.3892   0.5583  352.523  108.138  317.250  126.694 35.27283 166.5690 
1 1 1  -18   26    3 o  497.916   80.865   1.2361   0.3578   1.1243   0.4553   1.4166   0.5786  461.023  109.028  509.853  124.424 -48.83090 165.4343 
1 1 1  -18   26    4 o  909.637   76.421   4.0352   0.6337   2.8301   1.4515   4.3190   0.7044  638.607  211.783  936.940   82.548 -298.3324 227.3016 
1 1 1  -18   26    5 o  915.080   56.350   3.9764   0.4722   4.1991   0.6688   3.7551   0.6667  926.706   79.187  872.810   84.057 53.89575 115.4823 
1 1 1  -18   26    6 o  423.733  114.169   0.9535   0.4552   1.3378   1.3564   0.9047   0.4832  486.097  196.290  411.459  120.134 74.63809 230.1344 
1 1 1  -18   26    7 o  322.736  116.881   0.4875   0.4467  -2.2591   1.3835   0.8072   0.4720  287.589  142.190  390.651  119.856 -103.0614 185.9661 
1 1 1  -18   26    8 o  208.872   90.618  -0.0055   0.3227   0.0195   0.5117  -0.0221   0.4157  260.844  113.638  232.598  101.849 28.24553 152.6006 
1 1 1  -18   26    9 o  631.438  101.140   2.0352   0.5678   2.0759   0.6660   1.9269   1.0864  625.868  120.016  557.050  183.150 68.81818 218.9693 
1 1 1  -18   26   10 o  1056.41   58.218   5.3062   0.5637   5.0400   0.8828   5.4895   0.7325  1001.41   97.026  1063.10   75.370 -61.69061 122.8601 
1 1 1  -18   26   11 o  325.332  110.583   0.5278   0.3956   0.6537   0.6430   0.4512   0.5018  367.636  138.920  320.852  122.364 46.78433 185.1264 
1 1 1  -18   26   12 f  758.187   75.183   2.8159   0.5176   3.2810   0.8196   2.5073   0.6676  787.763  116.583  693.539  108.138 94.22461 159.0136 
1 1 1  -18   26   13 o  801.353   72.320   3.1403   0.5275   3.2873   0.8401   3.0446   0.6778  781.663  120.685  770.837   97.760 10.82593 155.3126 
1 1 1  -18   26   14 f  678.216   83.368   2.3120   0.5093   2.7929   0.7922   1.9732   0.6650  711.219  125.639  595.589  125.308 115.6299 177.4465 
1 1 1  -18   26   15 o  273.600  111.204   0.2632   0.4385  -0.4683   0.6518   0.8678   0.5926  238.878  112.853  389.689  135.239 -150.8107 176.1401 
1 1 1  -18   26   16 o  477.924  121.577   1.3084   0.5359   1.8824   0.8397   0.9138   0.6962  537.917  158.742  392.972  145.338 144.9443 215.2257 
1 1 1  -18   26   17 o  422.002  194.547   1.0530   1.7535   0.0000   0.0000   1.0530   1.7535  ?   ?   422.002  194.547 0.000000 194.5470 
1 1 1  -18   28    1 o  244.925   99.821   0.1868   0.3545   0.1994   0.4104   0.1500   0.7035  258.107  106.548  300.395  131.988 -42.28836 169.6271 
1 1 1  -18   28    2 o  320.456  102.074   0.5392   0.3390   0.3834   0.3973   0.9566   0.6503  289.763  109.273  406.092  141.626 -116.3295 178.8814 
1 1 1  -18   28    3 o  453.771   90.500   1.0678   0.3646   0.8391   0.4456   1.5310   0.6342  390.337  115.762  515.482  132.869 -125.1454 176.2239 
1 1 1  -18   28    4 o  415.294  102.230   0.9210   0.3880   1.0085   0.4950   0.7816   0.6249  425.309  120.819  379.076  138.101 46.23340 183.4915 
1 1 1  -18   28    5 o  438.424  136.179   1.1089   0.6071  -1.1143   1.3581   1.6642   0.6788  314.680  152.372  536.497  137.008 -221.8172 204.9112 
1 1 1  -18   28    6 o  227.128  104.374  -0.2256   0.4992  -0.1831   1.3674  -0.2321   0.5362  358.847  167.592  235.192  108.115 123.6552 199.4385 
1 1 1  -18   28    7 o  231.969   98.939   0.0743   0.3724   0.3747   0.5075  -0.2760   0.5481  304.108  121.002  233.806  108.130 70.30212 162.2762 
1 1 1  -18   28    8 o  377.190  135.779   0.7753   0.6016   0.7753   0.6016   0.0000   0.0000  377.190  135.779  ?   ?  0.000000 135.7791 
1 1 1  -18   28    9 o  423.214  139.353   1.0435   0.6289   1.0435   0.6289   0.0000   0.0000  423.214  139.353  ?   ?  0.000000 139.3531 
1 1 1  -18   28   10 o  783.793   76.126   3.0536   0.5421   3.7141   0.7926   2.4730   0.7431  838.516  105.032  664.016  126.233 174.5001 164.2152 
1 1 1  -18   28   11 o  545.706   98.844   1.5770   0.4781   1.2318   0.7049   1.8710   0.6505  447.282  147.552  572.336  126.854 -125.0545 194.5852 
1 1 1  -18   28   12 o  603.650   93.862   1.9116   0.5044   1.4444   0.7719   2.2598   0.6664  472.920  154.322  635.655  118.291 -162.7355 194.4430 
1 1 1  -18   28   13 o  181.803   86.800  -0.4190   0.4062  -1.6742   0.6230   0.5093   0.5358  170.649   85.980  320.053  125.261 -149.4041 151.9309 
1 1 1  -18   28   14 o  209.465   96.040  -0.1547   0.4194  -0.5572   0.6559   0.1237   0.5455  228.643  109.472  266.548  116.693 -37.90511 160.0041 
1 1 1  -18   30    1 o  304.664  110.836   0.5077   0.4023  -0.1827   0.4751   2.2588   0.7566  217.095  100.495  593.383  140.708 -376.2876 172.9105 
1 1 1  -18   30    2 o  457.281  104.281   1.1773   0.4291   0.9240   0.5071   1.8155   0.8049  389.157  124.928  509.897  156.535 -120.7400 200.2749 
1 1 1  -18   30    3 o  762.685   72.039   2.9318   0.4996   3.1251   0.6422   2.6354   0.7950  766.428   92.963  655.139  136.322 111.2891 165.0023 
1 1 1  -18   30    4 o  424.757  141.842   1.1636   0.6507   0.1047   1.4314   1.4394   0.7306  350.340  166.025  463.553  150.068 -113.2132 223.7961 
1 1 1  -18   30    5 o  572.319  132.318   1.9859   0.6829   0.4801   1.5501   2.3486   0.7607  375.031  176.199  618.504  137.247 -243.4732 223.3446 
1 1 1  -18   30    6 o  228.270  100.937   0.0142   0.4177   0.3692   0.5568  -0.4425   0.6315  298.108  123.668  230.903  109.671 67.20454 165.2922 
1 1 1  -18   30    7 o  527.221  126.979   1.6653   0.6087   1.5321   0.6481   2.6597   1.7712  493.548  137.569  497.869  214.149 -4.320679 254.5289 
1 1 1  -18   30    8 o  396.416  141.047   1.0032   0.6474   0.8627   0.6980   1.8679   1.7315  373.350  143.845  446.225  200.833 -72.87500 247.0331 
1 1 1  -18   30    9 o  545.291  104.268   1.6564   0.5041   2.2539   0.7234   1.0925   0.7028  605.768  133.395  405.428  146.644 200.3393 198.2390 
1 1 1  -18   30   10 o  274.079  114.438   0.2865   0.4812   0.8111   0.7255  -0.1257   0.6431  361.874  144.454  254.174  117.401 107.7004 186.1452 
1 1 1  -18   30   11 o  386.488  124.336   0.9247   0.5021   0.5767   0.7156   1.2622   0.7047  330.387  138.851  427.114  147.527 -96.72711 202.5925 
1 1 1  -18   30   12 o  246.242  113.897  -0.1270   0.6085   0.2153   1.7179  -0.1761   0.6506  353.244  171.125  249.116  116.096 104.1274 206.7896 
1 1 1  -18   30   13 o  410.620  191.380   1.6691   1.7688   1.6691   1.7688   0.0000   0.0000  410.620  191.380  ?   ?  0.000000 191.3802 
1 1 1  -18   32    1 o  318.924  120.930   0.6791   0.4883   0.6855   0.6016   0.6668   0.8359  316.930  129.703  315.926  141.061 1.003082 191.6273 
1 1 1  -18   32    2 o  238.900  114.035  -0.2590   0.7003   0.4753   1.5622  -0.4437   0.7835  324.506  158.537  238.902  115.693 85.60384 196.2622 
1 1 1  -18   32    3 o  321.864  138.328   0.6774   0.7379  -1.4133   1.4637   1.3899   0.8544  269.232  135.132  398.454  157.489 -129.2223 207.5172 
1 1 1  -18   32    4 o  192.697   90.950  -0.2497   0.4215  -0.1631   0.5009  -0.4599   0.7805  216.811  101.315  240.213  116.120 -23.40201 154.1058 
1 1 1  -18   32    5 o  199.966   93.563  -0.1932   0.4295  -0.4042   0.5344   0.1915   0.7216  204.944   98.305  277.721  126.825 -72.77728 160.4632 
1 1 1  -18   32    6 o  361.216  135.636   0.9246   0.6109   0.7972   0.6414   2.1691   2.0043  340.664  135.876  391.834  188.579 -51.16959 232.4313 
1 1 1  -18   32    7 o  341.931  132.757   0.7950   0.5981   1.0262   0.6372  -0.9185   1.7349  375.497  139.010  300.365  150.230 75.13193 204.6771 
1 1 1  -18   32    8 o  441.306  202.355   3.1377   1.8625   3.1377   1.8625   0.0000   0.0000  441.306  202.355  ?   ?  0.000000 202.3555 
1 1 1  -18   32    9 o  411.397  194.480   2.6017   1.9413   2.6017   1.9413   0.0000   0.0000  411.397  194.480  ?   ?  0.000000 194.4801 
1 1 1  -17    1    1 o  819.090   42.744   3.1057   0.3210   3.0146   0.4568   3.1946   0.4513  804.186   62.212  828.413   59.605 -24.22650 86.15703 
1 1 1  -17    1    2 o  1453.39   36.626   9.7415   0.4898   10.374   0.7001   9.1347   0.6856  1498.23   50.782  1405.59   53.006 92.63599 73.40601 
1 1 1  -17    1    3 o  1713.05   35.572   13.530   0.5607   13.764   0.8003   13.305   0.7858  1725.92   50.392  1696.87   50.329 29.05640 71.22070 
1 1 1  -17    1    4 f  1073.85   39.520   5.3200   0.3905   5.6290   0.5626   5.0327   0.5425  1101.74   55.676  1041.42   56.824 60.32495 79.55305 
1 1 1  -17    1    5 o  509.964   59.716   1.2206   0.2749   1.0910   0.3811   1.3612   0.3969  475.763   90.362  534.341   83.457 -58.57794 123.0057 
1 1 1  -17    1    6 o  1253.69   47.571   7.2653   0.5488   6.5336   0.9359   7.6487   0.6774  1179.42   86.851  1284.98   57.294 -105.5632 104.0466 
1 1 1  -17    1    7 o  906.488   68.304   3.8439   0.5655   3.4661   0.7826   4.2568   0.8182  851.815  101.865  947.185   95.165 -95.36993 139.4018 
1 1 1  -17    1    8 o  1106.90   53.549   5.6831   0.5454   5.5612   0.6649   5.9338   0.9536  1090.60   66.574  1118.18   93.539 -27.58020 114.8116 
1 1 1  -17    1    9 o  225.283   90.198   0.1235   0.2837   0.0159   0.3778   0.2628   0.4298  234.128   99.753  288.495  112.388 -54.36763 150.2720 
1 1 1  -17    1   10 o  1565.81   51.561   11.393   0.7429   11.744   0.9236   10.749   1.2503  1585.78   63.298  1502.88   90.835 82.89844 110.7143 
1 1 1  -17    1   11 o  419.377  101.519   0.8772   0.3876   0.3066   0.6473   1.1961   0.4839  334.672  135.441  488.274  110.299 -153.6025 174.6710 
1 1 1  -17    1   12 o  793.200   59.412   2.9604   0.4305   2.7744   0.5985   3.1599   0.6197  758.020   87.404  810.808   84.288 -52.78833 121.4244 
1 1 1  -17    1   13 o  890.867   51.185   3.7146   0.4178   4.4287   0.7017   3.3224   0.5201  961.693   80.026  836.819   68.131 124.8748 105.1000 
1 1 1  -17    1   14 o  823.084   55.230   3.1841   0.4159   3.9878   0.6945   2.7349   0.5193  909.664   83.920  755.445   75.718 154.2191 113.0298 
1 1 1  -17    1   15 o  618.979   61.628   1.8168   0.3463   1.3938   0.4769   2.2887   0.5038  527.593  101.931  688.527   81.068 -160.9341 130.2382 
1 1 1  -17    1   16 o  1136.69   45.555   6.0110   0.4765   5.8094   0.6707   6.2165   0.6770  1108.92   66.027  1147.98   64.353 -39.06140 92.20065 
1 1 1  -17    1   17 o  1115.13   48.207   5.7889   0.4946   6.1479   0.7160   5.4612   0.6841  1140.49   68.547  1074.24   69.586 66.25000 97.67784 
1 1 1  -17    1   18 o  934.070   54.007   4.0815   0.4622   3.3909   0.6327   4.8721   0.6769  841.552   82.771  1014.14   73.027 -172.5884 110.3811 
1 1 1  -17    1   19 o  1585.74   43.235   11.657   0.6309   10.574   0.8034   13.397   1.0188  1505.82   57.984  1691.84   65.443 -186.0203 87.43534 
1 1 1  -17    1   20 o  502.815  101.954   1.2466   0.4556   1.1079   0.6358   1.3930   0.6531  469.185  138.041  523.501  134.774 -54.31613 192.9234 
1 1 1  -17    1   21 o  232.111   95.498   0.0930   0.3283   0.1186   0.4233   0.0544   0.5203  262.044  108.189  276.595  117.433 -14.55136 159.6726 
1 1 1  -17    1   22 f  1115.60   54.690   5.7936   0.5614   5.1300   0.7243   6.7923   0.8886  1041.54   76.099  1197.06   81.153 -155.5250 111.2513 
1 1 1  -17    1   23 o  1271.39   62.172   7.5683   0.7273   6.6670   0.9005   9.2601   1.2337  1182.53   83.289  1386.03   97.348 -203.5071 128.1163 
1 1 1  -17    1   24 o  484.906   95.429   1.1702   0.4106   1.4193   0.5894   0.9353   0.5725  524.180  124.111  427.644  132.132 96.53625 181.2797 
1 1 1  -17    1   25 o  277.260  108.376   0.2658   0.4007   0.3373   0.5591   0.1903   0.5744  317.449  126.785  299.525  125.043 17.92456 178.0733 
1 1 1  -17    1   26 o  651.914  119.860   2.2178   0.6925   2.5059   0.9766   1.9263   0.9821  663.623  161.468  573.319  172.270 90.30444 236.1117 
1 1 1  -17    3    1 o  1698.68   35.657   13.311   0.5573   13.007   0.8018   13.595   0.7752  1676.67   51.972  1714.70   49.134 -38.02881 71.52116 
1 1 1  -17    3    2 o  896.028   49.053   3.7221   0.4029   3.2240   0.7475   3.9261   0.4783  823.234  100.786  919.149   56.834 -95.91553 115.7065 
1 1 1  -17    3    3 o  1646.01   41.994   12.507   0.6360   14.717   1.2644   11.758   0.7359  1778.47   77.262  1594.84   50.148 183.6281 92.10960 
1 1 1  -17    3    4 f  1852.91   40.403   15.846   0.6889   15.399   1.1609   16.088   0.8558  1821.06   69.280  1865.53   49.855 -44.46338 85.35338 
1 1 1  -17    3    5 o  2291.44   40.741   24.239   0.8590   23.802   1.4606   24.470   1.0621  2263.24   70.137  2300.32   50.180 -37.08740 86.23912 
1 1 1  -17    3    6 o  1026.90   43.932   4.8731   0.4151   4.9015   0.6092   4.8484   0.5672  1025.24   64.914  1020.52   60.671 4.727966 88.85276 
1 1 1  -17    3    7 o  506.940   65.225   1.2145   0.2972   1.1127   0.4331   1.3051   0.4086  476.776  101.818  520.508   88.469 -43.73190 134.8835 
1 1 1  -17    3    8 o  457.082   86.757   1.0139   0.3515   0.9234   0.4243   1.2120   0.6277  432.153  107.224  491.541  134.754 -59.38864 172.2080 
1 1 1  -17    3    9 o  1408.36   51.147   9.2088   0.6628   9.2094   0.8096   9.2076   1.1543  1405.26   62.610  1392.22   90.600 13.03381 110.1290 
1 1 1  -17    3   10 o  504.748   89.237   1.2416   0.3993   1.4466   0.4934   0.8525   0.6797  541.493  102.784  423.654  144.953 117.8395 177.6964 
1 1 1  -17    3   11 o  248.465  101.210   0.1351   0.3642   0.7704   0.6555  -0.1486   0.4380  405.613  142.153  228.100  101.959 177.5136 174.9375 
1 1 1  -17    3   12 o  873.146   50.537   3.5645   0.4043   3.3466   0.6267   3.7198   0.5291  834.852   82.667  887.377   65.259 -52.52521 105.3218 
1 1 1  -17    3   13 o  387.795   87.890   0.7478   0.3064   0.6365   0.4992   0.8150   0.3881  364.838  124.218  401.639  104.137 -36.80078 162.0941 
1 1 1  -17    3   14 f  1170.34   48.735   6.3875   0.5248   5.4219   0.8110   7.0831   0.6884  1061.58   83.708  1227.79   60.933 -166.2128 103.5365 
1 1 1  -17    3   15 o  466.478   85.596   1.0713   0.3539   0.8465   0.5493   1.2308   0.4627  409.044  129.884  493.858  105.045 -84.81488 167.0459 
1 1 1  -17    3   16 o  963.620   49.685   4.3401   0.4391   4.4579   0.6255   4.2257   0.6165  969.006   70.632  942.913   71.587 26.09296 100.5666 
1 1 1  -17    3   17 o  780.301   50.981   2.8500   0.3640   2.6278   0.4752   3.1655   0.5664  743.393   70.305  814.162   76.495 -70.76935 103.8951 
1 1 1  -17    3   18 o  841.119   51.671   3.3070   0.3980   3.0328   0.5137   3.7187   0.6294  799.897   70.513  883.483   78.236 -83.58551 105.3232 
1 1 1  -17    3   19 o  934.838   52.878   4.0783   0.4530   4.2028   0.6041   3.9185   0.6847  944.077   70.044  906.980   82.956 37.09698 108.5722 
1 1 1  -17    3   20 o  1143.63   64.500   6.1273   0.6760   5.1097   0.9137   7.3579   1.0047  1032.01   97.368  1244.12   88.339 -212.1090 131.4695 
1 1 1  -17    3   21 o  799.664   60.267   2.9977   0.4402   3.2789   0.5783   2.6101   0.6788  832.020   76.386  732.489  103.601 99.53094 128.7165 
1 1 1  -17    3   22 o  818.415   73.811   3.1729   0.5499   2.8896   0.7021   3.6223   0.8843  770.936  101.437  858.493  114.819 -87.55634 153.2088 
1 1 1  -17    3   23 o  903.185   75.690   3.8783   0.6232   4.0764   0.7657   3.4895   1.0729  919.329   91.740  821.073  147.422 98.25549 173.6360 
1 1 1  -17    3   24 o  839.117   68.234   3.3447   0.5223   3.7221   0.7001   2.8711   0.7844  876.675   87.969  754.679  116.719 121.9962 146.1570 
1 1 1  -17    3   25 o  234.084  102.665  -0.0452   0.4239  -0.1349   0.5353   0.1058   0.6944  251.866  112.637  311.142  133.960 -59.27640 175.0208 
1 1 1  -17    5    1 o  1192.96   40.803   6.5750   0.4479   6.6749   0.7305   6.5149   0.5670  1196.05   66.639  1185.96   51.956 10.09045 84.49947 
1 1 1  -17    5    2 o  725.596   48.393   2.4461   0.3212   2.1049   0.5172   2.6604   0.4099  665.353   86.523  755.053   59.481 -89.70038 104.9968 
1 1 1  -17    5    3 o  285.299   82.219   0.3887   0.2276   0.1860   0.3739   0.5081   0.2870  263.226  104.138  324.895   91.883 -61.66946 138.8779 
1 1 1  -17    5    4 o  585.150   51.453   1.5970   0.2742   1.4638   0.3950   1.7209   0.3810  554.584   79.697  604.301   69.801 -49.71649 105.9427 
1 1 1  -17    5    5 o  1436.13   38.349   9.5237   0.5068   9.7843   0.7403   9.2939   0.6952  1452.79   55.379  1416.30   53.345 36.48572 76.89268 
1 1 1  -17    5    6 o  570.397   66.489   1.5345   0.3424   1.3202   0.6016   1.6372   0.4165  514.679  127.646  586.554   79.190 -71.87482 150.2150 
1 1 1  -17    5    7 o  1201.10   50.967   6.6899   0.5633   8.0992   1.0487   6.1185   0.6678  1308.84   87.584  1144.44   63.667 164.4070 108.2798 
1 1 1  -17    5    8 o  679.868   78.481   2.1983   0.4820   2.2456   0.7482   2.1647   0.6301  671.296  125.753  665.813  106.425 5.483459 164.7427 
1 1 1  -17    5    9 f  1064.08   49.355   5.2580   0.4833   6.0905   0.6971   4.4877   0.6705  1138.99   66.803  974.344   75.378 164.6442 100.7195 
1 1 1  -17    5   10 o  515.467   66.391   1.2651   0.3076   1.4110   0.4933   1.1723   0.3934  533.190  104.291  489.031   90.767 44.15903 138.2581 
1 1 1  -17    5   11 o  291.031   89.396   0.4072   0.2625   0.7680   0.4508   0.2222   0.3228  391.691  116.488  254.606   97.900 137.0854 152.1637 
1 1 1  -17    5   12 o  406.246  108.924   0.8358   0.4155   1.0606   0.7605   0.7401   0.4961  456.040  153.334  386.044  123.528 69.99658 196.9021 
1 1 1  -17    5   13 o  1472.45   39.954   10.067   0.5413   10.552   0.7706   9.5936   0.7606  1501.07   55.792  1430.36   57.791 70.70728 80.32761 
1 1 1  -17    5   14 o  1038.98   46.034   5.0281   0.4401   4.8988   0.6042   5.1741   0.6423  1017.52   64.869  1044.80   67.170 -27.27484 93.37986 
1 1 1  -17    5   15 o  727.679   55.202   2.4919   0.3669   2.6838   0.5144   2.2932   0.5234  748.191   75.766  687.670   84.485 60.52118 113.4824 
1 1 1  -17    5   16 o  207.750   87.379   0.0433   0.2837   0.1987   0.4097  -0.0999   0.3933  269.289  108.183  220.003   97.583 49.28571 145.6915 
1 1 1  -17    5   17 o  806.365   57.502   3.0564   0.4239   2.8211   0.5777   3.3309   0.6238  765.618   83.345  832.941   82.478 -67.32300 117.2562 
1 1 1  -17    5   18 o  698.863   63.852   2.3066   0.4061   2.8000   0.5773   1.8235   0.5713  764.014   83.482  606.634  106.210 157.3799 135.0920 
1 1 1  -17    5   19 o  876.130   57.139   3.5916   0.4581   4.1700   0.6664   3.0731   0.6309  937.890   77.921  801.165   86.971 136.7245 116.7719 
1 1 1  -17    5   20 o  610.290   85.829   1.7914   0.4687   1.8125   0.6356   1.7663   0.6938  602.968  118.788  590.860  131.038 12.10815 176.8658 
1 1 1  -17    5   21 f  1356.57   48.466   8.5425   0.6050   9.0546   0.8147   7.9127   0.9034  1392.21   63.592  1295.14   76.137 97.06689 99.20065 
1 1 1  -17    5   22 o  508.068  109.055   1.2892   0.4946   1.0928   0.6534   1.5525   0.7568  464.294  140.744  546.840  147.163 -82.54520 203.6315 
1 1 1  -17    5   23 o  543.790  108.066   1.4814   0.5217   1.1960   0.6251   2.1363   0.9469  480.863  135.480  630.286  162.296 -149.4227 211.4114 
1 1 1  -17    5   24 o  468.640  105.001   1.1136   0.4416   0.9023   0.5685   1.4351   0.7011  419.573  132.007  518.794  142.500 -99.22122 194.2477 
1 1 1  -17    5   25 o  251.408  106.631   0.0753   0.4283   0.4113   0.5901  -0.2988   0.6226  332.037  130.989  255.843  117.197 76.19337 175.7646 
1 1 1  -17    7    1 o  1068.47   36.628   5.2753   0.3601   4.9021   0.5007   5.6751   0.5183  1026.18   53.211  1105.98   50.928 -79.80090 73.65469 
1 1 1  -17    7    2 o  1991.09   33.538   18.302   0.6145   17.941   0.8653   18.670   0.8727  1967.87   47.785  2007.61   47.243 -39.74377 67.19602 
1 1 1  -17    7    3 o  1057.14   39.055   5.1649   0.3799   5.5988   0.5577   4.7892   0.5190  1096.77   55.437  1014.09   55.832 82.68854 78.67896 
1 1 1  -17    7    4 o  1680.68   36.312   13.047   0.5616   12.543   0.7881   13.568   0.8004  1644.44   52.083  1710.63   50.848 -66.18689 72.78830 
1 1 1  -17    7    5 o  892.128   44.324   3.6846   0.3639   3.8552   0.5207   3.5218   0.5087  907.652   62.729  866.974   64.217 40.67834 89.77103 
1 1 1  -17    7    6 o  761.144   54.283   2.7055   0.3777   2.5170   0.4783   3.0176   0.6156  729.817   72.170  795.809   85.399 -65.99219 111.8106 
1 1 1  -17    7    7 o  1471.21   39.026   10.014   0.5283   9.6372   0.7796   10.334   0.7184  1438.17   58.910  1491.21   52.359 -53.04065 78.81528 
1 1 1  -17    7    8 o  1199.86   38.961   6.6638   0.4302   6.8181   0.6886   6.5651   0.5509  1206.51   62.238  1188.53   50.368 17.97791 80.06591 
1 1 1  -17    7    9 o  723.127   55.850   2.4530   0.3687   3.6856   0.5805   1.6192   0.4774  882.147   72.144  575.714   93.322 306.4330 117.9562 
1 1 1  -17    7   10 o  1232.11   42.363   7.0463   0.4803   7.5053   0.7805   6.7665   0.6093  1261.45   67.483  1203.78   55.010 57.67297 87.06390 
1 1 1  -17    7   11 o  1259.76   48.757   7.3956   0.5652   5.8949   1.0785   7.9639   0.6636  1093.14  108.657  1304.90   55.268 -211.7592 121.9053 
1 1 1  -17    7   12 o  669.541   80.079   2.1659   0.4836   2.4708   0.8540   2.0220   0.5867  685.346  140.152  636.651  103.716 48.69531 174.3547 
1 1 1  -17    7   13 o  679.776   56.740   2.1813   0.3517   1.9302   0.4960   2.4352   0.4987  627.910   88.281  711.049   77.474 -83.13928 117.4551 
1 1 1  -17    7   14 o  552.287   62.119   1.4523   0.3102   1.2009   0.4267   1.7342   0.4518  489.479   98.145  596.176   84.748 -106.6970 129.6713 
1 1 1  -17    7   15 o  433.839   80.266   0.9234   0.3086   1.0379   0.4235   0.7936   0.4507  452.988  103.816  395.412  116.193 57.57635 155.8159 
1 1 1  -17    7   16 o  471.610   80.398   1.0855   0.3364   0.6839   0.4683   1.5137   0.4835  372.621  120.091  552.011   98.825 -179.3894 155.5263 
1 1 1  -17    7   17 o  704.980   61.732   2.3471   0.3964   2.4304   0.5546   2.2601   0.5669  708.814   86.845  680.820   92.913 27.99353 127.1806 
1 1 1  -17    7   18 o  625.448   73.513   1.8661   0.4150   2.2915   0.5988   1.4729   0.5757  685.406   97.709  539.701  119.116 145.7053 154.0641 
1 1 1  -17    7   19 o  1477.26   53.541   10.153   0.7278   10.123   1.1333   10.173   0.9495  1460.78   84.674  1472.98   70.050 -12.19897 109.8945 
1 1 1  -17    7   20 o  293.453  111.497   0.3100   0.4156   0.5801   0.5697   0.0026   0.6077  366.687  132.119  290.119  125.114 76.56802 181.9589 
1 1 1  -17    7   21 o  1324.33   49.793   8.1490   0.6068   9.1777   0.8370   7.0093   0.8809  1400.64   64.941  1216.82   79.107 183.8207 102.3492 
1 1 1  -17    7   22 o  506.249  104.043   1.2761   0.4685   0.9466   0.6358   1.6674   0.6928  435.573  139.895  569.136  134.439 -133.5639 194.0212 
1 1 1  -17    7   23 o  821.004   83.677   3.2454   0.6233   3.0368   0.7917   3.5857   1.0110  779.717  113.685  834.966  136.293 -55.24902 177.4828 
1 1 1  -17    7   24 o  1172.26   59.025   6.4795   0.6346   7.2262   0.8642   5.6053   0.9351  1227.95   76.868  1068.89   96.097 159.0620 123.0584 
1 1 1  -17    7   25 o  368.568  117.528   0.6940   0.4494   0.4281   0.5597   1.1768   0.7540  329.109  128.240  463.563  152.587 -134.4543 199.3197 
1 1 1  -17    9    1 o  1026.78   38.281   4.8810   0.3617   4.4373   0.4696   5.5282   0.5671  974.938   52.539  1087.21   56.883 -112.2710 77.43349 
1 1 1  -17    9    2 o  1064.98   39.179   5.2508   0.3839   5.3733   0.5129   5.0946   0.5791  1074.83   51.858  1042.84   60.607 31.98950 79.76457 
1 1 1  -17    9    3 o  1199.64   40.329   6.6639   0.4452   6.3408   0.5778   7.1358   0.6984  1167.30   53.792  1236.20   61.394 -68.90112 81.62601 
1 1 1  -17    9    4 o  440.698   68.084   0.9299   0.2672   1.0420   0.3664   0.8027   0.3904  461.392   89.539  401.725  104.597 59.66672 137.6872 
1 1 1  -17    9    5 o  1051.17   38.485   5.1142   0.3722   4.6492   0.5662   5.4681   0.4940  995.651   62.111  1084.82   49.489 -89.16895 79.41640 
1 1 1  -17    9    6 f  769.308   42.122   2.7513   0.2970   2.0526   0.4799   3.1852   0.3782  654.222   81.489  826.244   49.978 -172.0216 95.59444 
1 1 1  -17    9    7 o  575.443   51.775   1.5537   0.2712   0.9066   0.4201   2.0162   0.3551  425.082  107.369  654.222   59.651 -229.1397 122.8262 
1 1 1  -17    9    8 o  984.403   37.046   4.4881   0.3356   5.2016   0.4952   3.8820   0.4564  1056.67   50.926  910.413   54.729 146.2524 74.75788 
1 1 1  -17    9    9 o  411.598   83.196   0.8341   0.3043   0.4602   0.4290   1.2128   0.4316  322.500  114.807  493.305   98.536 -170.8053 151.2944 
1 1 1  -17    9   10 o  708.133   47.122   2.3461   0.3053   1.8682   0.4217   2.8725   0.4425  623.277   75.037  779.299   62.234 -156.0218 97.48615 
1 1 1  -17    9   11 o  938.750   42.403   4.0985   0.3663   3.3759   0.4931   4.9884   0.5471  843.980   63.965  1029.32   58.003 -185.3414 86.34739 
1 1 1  -17    9   12 o  1083.98   52.781   5.5004   0.5265   6.1593   0.7379   4.8176   0.7513  1137.28   70.869  999.256   82.443 138.0206 108.7165 
1 1 1  -17    9   13 o  438.113   76.860   0.9395   0.2986   1.4299   0.4313   0.4884   0.4137  537.667   90.381  324.490  112.976 213.1779 144.6796 
1 1 1  -17    9   14 o  411.859   86.251   0.8429   0.3164   0.5126   0.4217   1.2685   0.4786  330.889  114.125  499.652  107.304 -168.7636 156.6483 
1 1 1  -17    9   15 f  860.457   52.447   3.4728   0.4133   3.9405   0.6030   3.0585   0.5675  909.021   72.700  797.888   78.308 111.1334 106.8525 
1 1 1  -17    9   16 o  448.155  109.865   1.0208   0.4496   0.3778   0.9228   1.2209   0.5148  381.107  158.738  488.557  116.205 -107.4500 196.7269 
1 1 1  -17    9   17 o  1184.38   60.497   6.5855   0.6571   5.4863   1.2568   6.9990   0.7709  1040.73  134.377  1217.43   69.099 -176.6938 151.1022 
1 1 1  -17    9   18 o  298.381  107.680   0.3719   0.3786   0.6841   0.6466   0.2090   0.4671  391.363  140.783  285.644  115.245 105.7190 181.9373 
1 1 1  -17    9   19 o  732.297   67.586   2.5317   0.4503   2.1227   0.6307   2.9567   0.6430  656.859  108.116  784.322   90.777 -127.4629 141.1718 
1 1 1  -17    9   20 o  259.831  112.152  -0.0110   0.4892  -0.3593   0.7181   0.2906   0.6683  278.812  127.009  337.366  137.223 -58.55435 186.9805 
1 1 1  -17    9   21 o  1935.90   52.966   17.450   0.9435   17.888   1.2445   16.858   1.4468  1951.81   69.296  1886.29   83.358 65.52283 108.3994 
1 1 1  -17    9   22 o  438.726  103.521   0.9667   0.4112   1.2630   0.5714   0.6485   0.5921  495.918  125.202  377.493  134.828 118.4255 183.9954 
1 1 1  -17    9   23 o  574.038  110.392   1.6684   0.5619   2.5097   0.7640   0.6771   0.8293  700.340  123.052  402.615  156.324 297.7243 198.9447 
1 1 1  -17    9   24 o  450.024  110.626   1.0491   0.4549   0.4405   0.5812   2.0115   0.7308  335.362  130.679  614.468  133.105 -279.1060 186.5311 
1 1 1  -17    9   25 o  473.726  153.963   1.2568   0.7686   1.3825   1.4312   1.2058   0.9111  498.855  201.568  465.962  167.160 32.89297 261.8623 
1 1 1  -17   11    1 o  1184.96   42.223   6.5240   0.4604   6.6321   0.5109   6.0566   1.0622  1193.49   46.518  1109.70  105.283 83.79041 115.1013 
1 1 1  -17   11    2 o  1452.83   28.251   9.7519   0.3777   8.9595   0.6113   10.241   0.4803  1387.13   47.891  1487.14   35.100 -100.0118 59.37592 
1 1 1  -17   11    3 o  1040.35   32.266   5.0061   0.3089   4.8238   0.5070   5.1138   0.3895  1014.86   54.488  1049.91   40.320 -35.05292 67.78439 
1 1 1  -17   11    4 o  328.540   64.692   0.5239   0.1886   0.5441   0.3293   0.5141   0.2301  332.808   99.702  323.017   78.236 9.791718 126.7334 
1 1 1  -17   11    5 o  1261.91   34.279   7.3710   0.3980   6.5714   0.6337   7.8920   0.5115  1184.79   58.131  1303.58   42.644 -118.7902 72.09515 
1 1 1  -17   11    6 o  269.873   71.627   0.3564   0.1808   0.5553   0.2662   0.1860   0.2464  334.616   85.995  227.335   85.972 107.2805 121.5986 
1 1 1  -17   11    7 o  1032.12   35.840   4.9362   0.3404   5.4760   0.4977   4.4617   0.4666  1083.47   49.917  976.068   52.137 107.3990 72.17995 
1 1 1  -17   11    8 o  338.893   73.756   0.5651   0.2235   0.3014   0.3124   0.8415   0.3198  268.865   97.684  411.460   87.184 -142.5948 130.9318 
1 1 1  -17   11    9 o  909.605   51.288   3.8804   0.4275   4.9083   0.6493   3.0938   0.5680  1015.40   69.924  801.700   77.985 213.6987 104.7425 
1 1 1  -17   11   10 o  506.623   59.373   1.2231   0.2715   0.8713   0.3664   1.6515   0.4044  414.865   97.619  583.497   77.210 -168.6316 124.4620 
1 1 1  -17   11   11 o  557.178   61.094   1.4798   0.3081   1.8730   0.4364   1.0892   0.4350  621.317   78.060  461.877  104.757 159.4402 130.6420 
1 1 1  -17   11   12 o  289.125  101.713   0.3761   0.3357   0.4326   0.4606   0.3121   0.4904  318.508  118.134  302.144  119.348 16.36398 167.9277 
1 1 1  -17   11   13 o  427.086   78.575   0.8968   0.2974   0.4883   0.3998   1.4027   0.4450  322.684  111.139  530.418   94.647 -207.7335 145.9793 
1 1 1  -17   11   14 o  494.571   72.523   1.1836   0.3202   1.3393   0.4463   1.0184   0.4598  517.523   97.290  445.260  112.251 72.26224 148.5444 
1 1 1  -17   11   15 o  541.036   72.137   1.4093   0.3502   1.3443   0.4955   1.4743   0.4950  515.098  107.983  542.053  103.010 -26.95483 149.2361 
1 1 1  -17   11   16 o  889.279   53.594   3.7067   0.4365   3.2560   0.6082   4.1854   0.6269  823.321   81.342  937.922   73.213 -114.6003 109.4384 
1 1 1  -17   11   17 o  629.386   70.704   1.8869   0.4024   1.3456   0.5381   2.5735   0.6061  515.539  116.210  728.305   92.528 -212.7661 148.5462 
1 1 1  -17   11   18 o  313.478  111.903   0.4209   0.4078   0.5689   0.6625   0.3305   0.5175  375.216  141.180  315.412  123.199 59.80374 187.3758 
1 1 1  -17   11   19 o  315.650  105.904   0.4573   0.3628   1.1244   0.5512  -0.0525   0.4818  471.069  125.068  252.473  110.122 218.5959 166.6404 
1 1 1  -17   11   20 o  588.509  101.287   1.7041   0.5287   1.4592   0.7717   1.9207   0.7258  529.508  151.007  613.315  132.480 -83.80725 200.8831 
1 1 1  -17   11   21 o  1416.58   75.667   9.5089   0.9827   8.9108   1.7390   9.7895   1.1912  1321.12  145.464  1428.15   91.118 -107.0254 171.6460 
1 1 1  -17   11   22 o  717.541   98.847   2.5357   0.6353   1.7613   1.2350   2.8144   0.7409  562.600  195.239  750.648  110.573 -188.0480 224.3763 
1 1 1  -17   11   23 o  252.971  114.304  -0.2020   0.5674   0.0161   0.7580  -0.4797   0.8555  313.840  137.473  290.659  134.658 23.18167 192.4355 
1 1 1  -17   11   24 f  345.810  117.733   0.5916   0.4484   0.7874   0.6190   0.3753   0.6505  393.161  138.120  333.312  135.457 59.84909 193.4572 
1 1 1  -17   13    1 o  561.688  103.825   1.6025   0.5169   1.4086   0.7074   1.8244   0.7570  507.444  144.530  578.395  143.029 -70.95178 203.3378 
1 1 1  -17   13    2 o  913.824   35.406   3.8751   0.2977   3.6439   0.4264   4.0949   0.4159  880.047   52.905  934.702   48.517 -54.65485 71.78353 
1 1 1  -17   13    3 o  300.760   63.690   0.4426   0.1708   0.2001   0.3148   0.5437   0.2033  246.074   96.097  332.898   68.644 -86.82414 118.0959 
1 1 1  -17   13    4 o  415.883   47.252   0.8174   0.1776   0.8510   0.2631   0.7892   0.2407  417.975   70.954  403.257   67.243 14.71768 97.75465 
1 1 1  -17   13    5 o  403.211   52.896   0.7741   0.1915   0.9905   0.2840   0.5936   0.2594  451.733   70.644  344.898   82.776 106.8352 108.8225 
1 1 1  -17   13    6 o  582.163   44.357   1.5887   0.2358   1.8428   0.3531   1.3840   0.3169  621.877   62.550  537.173   65.461 84.70428 90.54092 
1 1 1  -17   13    7 o  958.126   36.435   4.2620   0.3212   4.1254   0.4508   4.4028   0.4578  936.732   52.513  968.164   51.575 -31.43152 73.60497 
1 1 1  -17   13    8 o  524.742   53.099   1.3042   0.2529   1.8041   0.3746   0.8859   0.3427  613.134   67.521  419.451   91.374 193.6832 113.6146 
1 1 1  -17   13    9 o  1186.75   48.790   6.5898   0.5328   6.0569   0.7452   7.1470   0.7620  1124.44   72.412  1224.67   67.885 -100.2295 99.25655 
1 1 1  -17   13   10 o  530.319   61.364   1.3449   0.2939   1.3336   0.4154   1.3563   0.4159  517.090   90.599  521.885   89.858 -4.795288 127.6033 
1 1 1  -17   13   11 o  946.559   46.385   4.1846   0.4040   4.1128   0.5699   4.2572   0.5729  928.677   67.138  945.326   66.277 -16.64923 94.34072 
1 1 1  -17   13   12 o  546.579   85.237   1.4711   0.4147   1.0684   0.5417   2.0414   0.6446  450.488  125.832  630.651  115.338 -180.1630 170.6942 
1 1 1  -17   13   13 f  201.626   85.724   0.0248   0.2779   0.0559   0.3955  -0.0055   0.3907  241.122  102.378  230.840   99.931 10.28220 143.0642 
1 1 1  -17   13   14 o  692.154   59.362   2.2674   0.3744   1.6139   0.5000   3.1016   0.5649  568.440   99.200  803.054   77.410 -234.6143 125.8292 
1 1 1  -17   13   15 o  1074.41   48.452   5.3818   0.4790   5.1239   0.6601   5.6688   0.6962  1039.05   69.439  1093.04   69.584 -53.99365 98.30404 
1 1 1  -17   13   16 o  1090.41   51.475   5.5438   0.5165   4.8403   0.7089   6.3396   0.7540  1007.97   77.018  1157.08   71.159 -149.1075 104.8588 
1 1 1  -17   13   17 o  405.482  103.485   0.8222   0.3874   0.7500   0.6055   0.8722   0.5041  398.029  136.787  416.731  122.998 -18.70190 183.9543 
1 1 1  -17   13   18 o  795.242   62.945   2.9766   0.4568   3.9661   0.6863   2.1892   0.6122  911.744   82.701  668.085  102.885 243.6591 132.0030 
1 1 1  -17   13   19 o  262.247  103.716   0.2010   0.3708   0.3253   0.5450   0.0939   0.5059  319.025  125.879  277.067  116.613 41.95844 171.5926 
1 1 1  -17   13   20 o  679.984  102.377   2.2754   0.6207   2.1326   0.8084   2.4806   0.9688  640.565  140.977  683.484  157.307 -42.91882 211.2342 
1 1 1  -17   13   21 o  1157.24   59.337   6.2961   0.6297   6.9151   0.8944   5.6876   0.8868  1201.84   81.356  1084.94   89.629 116.9048 121.0460 
1 1 1  -17   13   22 o  1329.69   57.085   8.3069   0.6985   7.9352   0.9681   8.7102   1.0087  1282.96   82.444  1344.76   81.904 -61.79785 116.2122 
1 1 1  -17   13   23 o  305.728  119.751   0.3497   0.4900   1.4208   0.7015  -0.6706   0.6847  507.092  143.745  240.303  114.152 266.7894 183.5576 
1 1 1  -17   13   24 o  243.524  111.016  -0.2193   0.5499   0.0616   0.9039  -0.3844   0.6929  333.678  147.972  260.618  120.898 73.06030 191.0814 
1 1 1  -17   15    1 o  907.838   83.757   4.0562   0.6918   4.1149   0.9615   3.9932   0.9960  884.473  121.343  864.195  129.225 20.27826 177.2656 
1 1 1  -17   15    2 o  505.511   42.060   1.2013   0.1939   1.4139   0.2904   1.0306   0.2604  543.401   59.037  461.714   62.921 81.68771 86.28093 
1 1 1  -17   15    3 o  220.043   67.424   0.2327   0.1494   0.0632   0.2440   0.3343   0.1890  196.594   81.739  260.199   74.885 -63.60498 110.8560 
1 1 1  -17   15    4 o  234.164   71.880   0.2646   0.1697  -0.0142   0.2620   0.4664   0.2228  188.198   81.648  305.089   78.813 -116.8913 113.4807 
1 1 1  -17   15    5 o  589.211   44.201   1.6311   0.2379   1.1725   0.3477   2.0349   0.3262  486.840   80.419  655.097   54.616 -168.2570 97.21160 
1 1 1  -17   15    6 o  289.893   74.824   0.4188   0.2009   0.4391   0.2936   0.4010   0.2756  298.640   94.977  286.828   92.097 11.81183 132.2971 
1 1 1  -17   15    7 o  257.679   81.668   0.3201   0.2172   0.2814   0.3174   0.3542   0.2980  262.637   97.936  276.879   95.914 -14.24185 137.0802 
1 1 1  -17   15    8 o  559.831   53.031   1.4862   0.2699   1.4872   0.3816   1.4852   0.3819  551.074   77.387  550.646   77.510 0.4278564 109.5288 
1 1 1  -17   15    9 o  774.998   59.747   2.8550   0.4228   2.5392   0.5918   3.1842   0.6042  715.141   92.066  807.406   82.490 -92.26471 123.6152 
1 1 1  -17   15   10 o  686.036   51.336   2.2197   0.3217   2.0320   0.4415   2.4321   0.4697  647.041   75.586  709.745   72.963 -62.70361 105.0563 
1 1 1  -17   15   11 o  221.075   87.090   0.1503   0.2605  -0.0725   0.3530   0.4166   0.3859  209.699   92.756  304.055  108.827 -94.35585 142.9937 
1 1 1  -17   15   12 o  664.630   74.950   2.1344   0.4504   1.5673   0.5871   2.9454   0.7021  548.407  119.697  767.857  101.885 -219.4508 157.1877 
1 1 1  -17   15   13 o  272.948   95.414   0.3333   0.2952   0.1927   0.3948   0.5114   0.4446  263.241  106.043  332.080  117.020 -68.83801 157.9206 
1 1 1  -17   15   14 o  450.078   82.543   0.9970   0.3293   0.6246   0.4491   1.4297   0.4841  357.328  117.770  533.340  102.371 -176.0123 156.0436 
1 1 1  -17   15   15 f  483.326   85.577   1.1464   0.3667   0.5800   0.4977   1.8184   0.5422  353.965  123.883  605.497  100.863 -251.5321 159.7509 
1 1 1  -17   15   16 o  421.871  100.414   0.8905   0.3842   0.9523   0.5730   0.8400   0.5178  433.483  131.884  409.339  125.530 24.14407 182.0747 
1 1 1  -17   15   17 o  469.168   92.195   1.0849   0.3838   1.5775   0.5512   0.6212   0.5348  561.557  110.609  367.810  128.428 193.7470 169.4933 
1 1 1  -17   15   18 o  388.876  105.181   0.7564   0.3855   0.5324   0.5658   0.9503   0.5265  355.298  131.105  433.005  125.109 -77.70706 181.2200 
1 1 1  -17   15   19 o  257.708  105.525   0.1420   0.3985   0.2493   0.5260  -0.0025   0.6106  302.516  122.212  287.371  124.662 15.14545 174.5752 
1 1 1  -17   15   20 o  1165.58   79.366   6.4982   0.8462   6.3596   1.0992   6.6998   1.3256  1136.11  106.387  1150.37  127.365 -14.26025 165.9519 
1 1 1  -17   15   21 o  470.039  110.636   1.1365   0.4706   1.6742   0.6877   0.6631   0.6453  560.878  134.895  379.433  140.008 181.4453 194.4193 
1 1 1  -17   15   22 o  1146.96   90.596   6.4716   0.9484   6.6076   1.1700   6.2109   1.6194  1138.96  113.131  1038.43  175.752 100.5331 209.0154 
1 1 1  -17   15   23 o  240.041  106.717  -0.0755   0.4730  -0.1337   0.6524  -0.0108   0.6869  273.480  123.161  291.893  129.240 -18.41281 178.5264 
1 1 1  -17   17    1 o  284.794   80.055   0.4096   0.2185   0.4464   0.2267  -0.0748   0.8232  296.645   80.833  305.646  137.932 -9.001312 159.8727 
1 1 1  -17   17    2 o  394.173   54.992   0.7489   0.1940   0.8653   0.2925   0.6576   0.2593  415.054   79.494  360.440   80.231 54.61441 112.9439 
1 1 1  -17   17    3 o  437.904   48.214   0.9120   0.1911   0.8781   0.3333   0.9286   0.2332  414.210   90.012  438.356   59.333 -24.14636 107.8078 
1 1 1  -17   17    4 o  666.959   41.454   2.0870   0.2532   1.7388   0.4123   2.2977   0.3207  594.339   77.217  696.807   50.359 -102.4685 92.18723 
1 1 1  -17   17    5 o  751.418   42.967   2.6495   0.2959   3.1007   0.5008   2.4076   0.3667  801.445   68.571  711.107   56.503 90.33734 88.85135 
1 1 1  -17   17    6 o  833.684   44.217   3.2615   0.3380   3.0059   0.5422   3.4240   0.4322  785.434   75.972  849.489   55.603 -64.05481 94.14649 
1 1 1  -17   17    7 o  505.378   61.556   1.2291   0.2803   0.7769   0.4578   1.5006   0.3546  384.570  118.046  555.313   71.028 -170.7433 137.7671 
1 1 1  -17   17    8 o  485.875   67.194   1.1454   0.2924   1.4369   0.5011   0.9950   0.3600  526.847  107.026  443.036   91.339 83.81021 140.7031 
1 1 1  -17   17    9 o  506.048   82.141   1.2677   0.3694   1.5247   0.6519   1.1462   0.4483  529.552  133.752  470.478  106.078 59.07358 170.7109 
1 1 1  -17   17   10 o  399.411   78.126   0.7914   0.2768   1.0929   0.4119   0.5430   0.3739  462.478   99.718  330.662  107.386 131.8163 146.5450 
1 1 1  -17   17   11 o  648.557   77.522   2.0445   0.4535   1.8921   0.6021   2.2444   0.6893  606.804  111.954  658.450  118.113 -51.64545 162.7405 
1 1 1  -17   17   12 o  538.251   68.176   1.3948   0.3301   1.9296   0.4873   0.9415   0.4487  626.625   86.851  426.429  112.665 200.1957 142.2552 
1 1 1  -17   17   13 o  821.102   54.522   3.1727   0.4096   3.6994   0.5981   2.7076   0.5621  878.649   74.690  747.140   83.165 131.5090 111.7816 
1 1 1  -17   17   14 o  997.330   52.316   4.6589   0.4784   4.5228   0.6680   4.8022   0.6855  973.510   75.153  1003.47   74.782 -29.95953 106.0204 
1 1 1  -17   17   15 o  658.724   72.864   2.0732   0.4343   1.6519   0.6542   2.4051   0.5806  565.992  128.547  702.812   91.988 -136.8202 158.0703 
1 1 1  -17   17   16 o  376.599  101.949   0.7091   0.3619   1.0352   0.5200   0.4027   0.5041  450.213  122.335  323.479  122.816 126.7331 173.3482 
1 1 1  -17   17   17 o  628.579   71.204   1.8859   0.4046   2.0469   0.5981   1.7500   0.5493  642.623  104.758  593.320  104.429 49.30365 147.9175 
1 1 1  -17   17   18 o  147.617   72.316  -0.6272   0.3317  -0.5866   0.4737  -0.6664   0.4648  195.935   93.598  187.449   90.364 8.486542 130.1007 
1 1 1  -17   17   19 o  698.574   75.884   2.3463   0.4799   2.1451   0.6311   2.6224   0.7392  653.241  108.813  720.067  115.460 -66.82593 158.6547 
1 1 1  -17   17   20 o  299.677  120.067   0.2856   0.5032   0.1767   0.8096   0.3541   0.6423  337.928  145.053  332.603  134.805 5.325073 198.0225 
1 1 1  -17   17   21 o  521.162  106.401   1.4020   0.4930   1.3515   0.7015   1.4514   0.6930  493.123  144.969  511.940  142.089 -18.81641 202.9912 
1 1 1  -17   17   22 o  332.538  135.130   0.4055   0.6472  -0.1307   0.8272   1.2523   1.0394  304.251  137.696  465.914  176.489 -161.6622 223.8498 
1 1 1  -17   19    1 o  752.556   40.584   2.6589   0.2800   2.4487   0.3678   2.9485   0.4318  715.505   56.316  783.344   60.374 -67.83856 82.56250 
1 1 1  -17   19    2 o  231.259   74.793   0.2565   0.1815   0.3801   0.2646   0.1467   0.2495  277.435   90.342  214.754   85.029 62.68108 124.0628 
1 1 1  -17   19    3 o  458.390   52.131   1.0048   0.2160   0.8155   0.3227   1.1585   0.2907  398.105   90.181  487.130   66.593 -89.02493 112.1035 
1 1 1  -17   19    4 o  192.292   73.078   0.1346   0.1786   0.4812   0.3109  -0.0360   0.2182  308.565   97.689  167.288   73.501 141.2768 122.2518 
1 1 1  -17   19    5 o  598.830   76.129   1.7627   0.4100   1.8759   0.4482   1.1827   1.0146  615.429   81.130  456.666  174.037 158.7625 192.0178 
1 1 1  -17   19    6 o  677.540   74.336   2.2406   0.4558   2.4686   0.5122   1.3726   0.9994  708.416   79.978  482.617  174.820 225.7995 192.2461 
1 1 1  -17   19    7 o  254.145   90.528   0.2869   0.2668   0.2136   0.3783   0.3593   0.3762  260.087  104.141  287.986  106.775 -27.89850 149.1521 
1 1 1  -17   19    8 o  631.789   57.107   1.9008   0.3284   2.4815   0.5640   1.6031   0.4039  707.002   88.651  570.947   79.002 136.0551 118.7448 
1 1 1  -17   19    9 o  547.594   78.629   1.4727   0.3848   1.1762   0.9551   1.5302   0.4205  463.666  170.450  555.552   84.951 -91.88626 190.4462 
1 1 1  -17   19   10 o  667.153   60.771   2.1210   0.3690   1.5737   0.5993   2.4551   0.4682  545.821  122.354  713.225   72.348 -167.4039 142.1430 
1 1 1  -17   19   11 o  330.937  109.831   0.5343   0.3903   0.6817   0.5245   0.3513   0.5845  371.286  127.321  322.748  129.370 48.53787 181.5141 
1 1 1  -17   19   12 o  556.325   75.711   1.5000   0.3775   1.9315   0.6412   1.2711   0.4670  613.057  117.942  500.271  104.813 112.7854 157.7851 
1 1 1  -17   19   13 o  789.698   69.639   2.9706   0.5009   2.7620   0.9361   3.0542   0.5929  722.081  145.903  795.618   82.163 -73.53760 167.4473 
1 1 1  -17   19   14 o  930.177   59.845   4.0744   0.5095   3.9374   0.8481   4.1517   0.6373  893.486  105.174  933.031   74.863 -39.54474 129.0966 
1 1 1  -17   19   15 o  770.252   62.195   2.8031   0.4371   2.8328   0.6458   2.7780   0.5937  761.877   94.114  757.597   86.727 4.279602 127.9806 
1 1 1  -17   19   16 o  837.318   59.419   3.3039   0.4548   3.0189   0.6345   3.6051   0.6523  788.678   88.987  865.440   82.932 -76.76190 121.6399 
1 1 1  -17   19   17 o  266.769  104.832   0.2293   0.3766  -0.1244   0.5209   0.6163   0.5449  251.127  111.797  364.155  129.425 -113.0274 171.0246 
1 1 1  -17   19   18 o  340.961  114.868   0.5615   0.4268   0.3399   0.5668   0.8518   0.6486  319.621  127.652  411.186  141.558 -91.56485 190.6144 
1 1 1  -17   19   19 o  625.859   89.227   1.9393   0.4993   2.9559   0.6914   0.8315   0.7218  768.437  100.170  408.240  148.462 360.1967 179.0946 
1 1 1  -17   19   20 o  435.579  114.236   1.0057   0.4635   0.1528   0.6379   1.9602   0.6747  301.645  129.094  604.873  125.348 -303.2281 179.9368 
1 1 1  -17   19   21 o  260.857  109.284   0.1488   0.4410  -0.2547   0.6165   0.5716   0.6311  253.225  116.227  352.262  136.478 -99.03712 179.2621 
1 1 1  -17   21    1 o  324.182   74.803   0.5312   0.2186   0.3298   0.2630   0.9809   0.3931  262.913   90.166  431.139  100.874 -168.2267 135.2976 
1 1 1  -17   21    2 o  672.306   49.713   2.1444   0.3054   2.1745   0.4004   2.1026   0.4721  669.562   65.843  650.173   80.637 19.38910 104.1037 
1 1 1  -17   21    3 o  187.620   76.638   0.0797   0.2096   0.4308   0.3068  -0.2275   0.2869  294.513   97.349  165.549   77.133 128.9642 124.2022 
1 1 1  -17   21    4 o  306.316   84.074   0.4771   0.2442   0.4045   0.3385   0.5558   0.3525  291.408  102.159  328.945  104.000 -37.53714 145.7820 
1 1 1  -17   21    5 o  651.896   53.163   2.0200   0.3161   1.8947   0.4770   2.1182   0.4222  615.392   86.626  659.800   70.633 -44.40839 111.7724 
1 1 1  -17   21    6 o  251.623   85.920   0.2946   0.2388   0.5096   0.3961   0.1717   0.2994  321.864  110.628  233.887   92.974 87.97729 144.5087 
1 1 1  -17   21    7 o  1049.55   45.018   5.1574   0.4348   5.4426   0.7178   4.9922   0.5464  1060.42   74.031  1025.18   58.159 35.24353 94.14392 
1 1 1  -17   21    8 f  592.704   88.203   1.7485   0.4664  -0.4279   1.0344   2.3038   0.5225  319.458  148.024  683.487   84.911 -364.0298 170.6485 
1 1 1  -17   21    9 o  961.862   50.059   4.3490   0.4415   4.3531   0.7253   4.3466   0.5565  944.254   84.361  955.383   63.673 -11.12927 105.6933 
1 1 1  -17   21   10 o  695.334   89.903   2.3825   0.5618   1.9770   0.6178   4.3186   1.3498  621.270  112.196  871.637  174.387 -250.3669 207.3612 
1 1 1  -17   21   11 o  852.820   82.515   3.5212   0.6394   2.9369   0.7108   6.0016   1.4644  767.542  103.256  1056.79  155.221 -289.2449 186.4280 
1 1 1  -17   21   12 o  740.007  107.677   2.7407   0.7117   2.7921   0.8393   2.6093   1.3426  734.898  128.813  660.922  202.052 73.97614 239.6198 
1 1 1  -17   21   13 o  884.511   67.754   3.7174   0.5473   4.3419   1.0381   3.4770   0.6440  923.239  125.440  848.310   83.592 74.92914 150.7405 
1 1 1  -17   21   14 o  630.875   77.793   1.9225   0.4420   2.7683   0.7539   1.4794   0.5457  740.680  114.290  538.017  113.777 202.6628 161.2680 
1 1 1  -17   21   15 o  339.222  110.626   0.5615   0.3967   0.9180   0.6118   0.3029   0.5210  422.675  137.363  306.953  122.454 115.7217 184.0206 
1 1 1  -17   21   16 o  597.887   97.196   1.7836   0.5164   2.1025   0.7893   1.5450   0.6827  626.414  140.412  536.829  137.578 89.58502 196.5793 
1 1 1  -17   21   17 o  200.615   93.311  -0.3169   0.4171   0.0441   0.6091  -0.6355   0.5722  286.880  124.483  216.782  103.367 70.09798 161.8043 
1 1 1  -17   21   18 o  279.263  112.884   0.2388   0.4491  -0.1002   0.6749   0.5083   0.6016  282.602  126.422  344.732  133.342 -62.12982 183.7459 
1 1 1  -17   21   19 o  493.515  146.468   1.4009   0.7132   1.2523   1.4720   1.4465   0.8153  474.340  199.238  494.888  158.357 -20.54871 254.5048 
1 1 1  -17   21   20 o  225.071  102.161  -0.1557   0.4593  -0.6370   0.6696   0.2721   0.6313  234.075  111.670  308.793  130.130 -74.71762 171.4764 
1 1 1  -17   23    1 o  1243.58   41.257   7.2395   0.4721   6.8262   0.5963   7.9333   0.7727  1200.23   53.997  1283.58   65.640 -83.35608 84.99608 
1 1 1  -17   23    2 o  779.626   51.197   2.8810   0.3652   2.0535   0.4483   4.5153   0.6300  645.502   76.989  964.077   71.524 -318.5743 105.0857 
1 1 1  -17   23    3 o  423.582   75.882   0.8934   0.2849   0.6592   0.3740   1.2171   0.4398  355.131  106.216  483.247  102.093 -128.1158 147.3260 
1 1 1  -17   23    4 o  495.295   67.927   1.1960   0.3014   1.3169   0.4335   1.0828   0.4194  506.824   96.484  455.669  102.505 51.15512 140.7711 
1 1 1  -17   23    5 o  437.526   76.698   0.9496   0.2975   0.7344   0.4318   1.1442   0.4106  374.231  114.607  471.842   97.776 -97.61075 150.6483 
1 1 1  -17   23    6 o  498.284   71.825   1.2130   0.3198   1.6956   0.5045   0.8887   0.4135  577.692   98.433  412.123  107.809 165.5695 145.9854 
1 1 1  -17   23    7 o  230.923   97.916   0.0603   0.3610  -2.9343   1.1143   0.4114   0.3815  230.590  116.029  301.064  108.159 -70.47372 158.6225 
1 1 1  -17   23    8 o  540.113   70.522   1.4125   0.3421   1.6314   0.5750   1.2926   0.4257  560.162  115.402  506.530   94.809 53.63153 149.3532 
1 1 1  -17   23    9 o  592.415   71.858   1.6953   0.3837   1.2027   0.6913   1.9147   0.4613  471.217  145.133  625.746   82.092 -154.5296 166.7415 
1 1 1  -17   23   10 o  547.019  107.255   1.5255   0.5206   1.1550   0.7241   1.9220   0.7490  463.802  149.320  598.298  138.738 -134.4956 203.8245 
1 1 1  -17   23   11 o  1388.02   52.289   9.0265   0.6678   9.5028   1.2264   8.8257   0.7963  1391.78   96.355  1366.78   63.312 25.00586 115.2938 
1 1 1  -17   23   12 o  387.685  107.335   0.7693   0.3960  -0.0577   0.5979   1.4154   0.5285  274.702  121.153  524.194  112.895 -249.4924 165.5997 
1 1 1  -17   23   13 o  479.312   99.714   1.1646   0.4255   2.6569   0.7294   0.3948   0.5238  722.079  113.520  320.448  124.288 401.6314 168.3276 
1 1 1  -17   23   14 o  635.775   80.717   1.9736   0.4616   3.0627   0.7866   1.4017   0.5700  774.508  113.768  515.815  122.006 258.6929 166.8191 
1 1 1  -17   23   15 o  289.020  116.868   0.2557   0.4815   0.9198   0.7327  -0.2492   0.6389  420.643  150.010  262.576  119.684 158.0672 191.9043 
1 1 1  -17   23   16 o  751.415  123.844   2.9884   0.8265   2.9884   0.8265   0.0000   0.0000  751.415  123.844  ?   ?  0.000000 123.8436 
1 1 1  -17   23   17 o  403.931  143.734   0.8797   0.6723   1.3830   0.7670  -0.7885   1.3964  486.415  153.380  340.873  162.243 145.5418 223.2677 
1 1 1  -17   23   18 o  251.828  109.799   0.0369   0.4786  -0.5364   0.7078   0.5198   0.6497  248.242  117.375  342.939  136.762 -94.69681 180.2242 
1 1 1  -17   23   19 o  421.799  150.319   1.0588   0.7356   3.8214   1.8113   0.5132   0.8049  652.665  235.514  352.396  147.640 300.2688 277.9652 
1 1 1  -17   25    1 o  269.288   93.724   0.3386   0.2847   0.4152   0.3435   0.1706   0.5089  294.874  102.929  278.278  117.030 16.59671 155.8538 
1 1 1  -17   25    2 o  167.897   76.835  -0.1534   0.2667  -0.2937   0.3166   0.1897   0.4951  169.218   79.543  278.862  116.221 -109.6438 140.8351 
1 1 1  -17   25    3 o  550.185   72.486   1.4797   0.3580   1.8071   0.4793   1.0664   0.5386  600.283   89.502  442.889  126.097 157.3941 154.6321 
1 1 1  -17   25    4 o  1062.76   55.012   5.3470   0.5361   5.5203   0.7429   5.1586   0.7745  1066.31   76.219  1025.87   82.747 40.43811 112.5008 
1 1 1  -17   25    5 o  487.389   82.701   1.1823   0.3576   0.7448   0.5165   1.5855   0.4957  379.076  126.357  557.164  100.387 -178.0882 161.3810 
1 1 1  -17   25    6 o  657.292   67.963   2.0822   0.4051   2.2734   0.6369   1.9523   0.5250  665.933  107.607  623.527   94.464 42.40582 143.1878 
1 1 1  -17   25    7 o  302.772  114.147   0.3845   0.4335   0.0000   0.0000   0.3845   0.4335  ?   ?   302.772  114.147 0.000000 114.1466 
1 1 1  -17   25    8 o  701.898   70.930   2.3770   0.4518   3.5753   0.7618   1.7266   0.5612  844.534   99.965  578.751  109.388 265.7837 148.1844 
1 1 1  -17   25    9 o  295.638  119.138   0.2779   0.4986   0.5140   0.5446  -0.9457   1.2396  340.662  128.035  322.130  153.190 18.53226 199.6497 
1 1 1  -17   25   10 o  536.557   84.519   1.4264   0.4035   0.5044   0.5737   2.3290   0.5676  342.357  130.772  683.928   92.570 -341.5710 160.2197 
1 1 1  -17   25   11 o  1268.38   51.902   7.5617   0.6058   8.1999   0.9902   7.1800   0.7658  1297.09   83.406  1224.90   68.211 72.18652 107.7464 
1 1 1  -17   25   12 o  462.161   97.542   1.0932   0.4018   1.0629   0.6190   1.1153   0.5282  441.674  137.547  456.073  123.029 -14.39963 184.5405 
1 1 1  -17   25   13 o  519.051  101.990   1.3894   0.4697   1.2748   0.7271   1.4715   0.6154  474.332  149.305  519.089  129.319 -44.75629 197.5236 
1 1 1  -17   25   14 f  892.106   71.431   3.8618   0.5815   4.3631   0.9101   3.5161   0.7558  917.678  109.967  830.126  101.033 87.55219 149.3330 
1 1 1  -17   25   15 o  672.455   85.008   2.2659   0.5143   2.2444   0.8156   2.2801   0.6626  623.619  144.895  654.318  114.198 -30.69879 184.4876 
1 1 1  -17   25   16 o  735.719   85.806   2.7333   0.5700   2.6927   0.8993   2.7605   0.7369  673.959  148.972  714.771  116.019 -40.81281 188.8203 
1 1 1  -17   25   17 o  287.019  118.858   0.2780   0.5131   0.1205   0.7772   0.3997   0.6831  307.130  136.654  324.653  136.010 -17.52219 192.8037 
1 1 1  -17   25   18 o  471.530  161.734   1.4811   0.8463   2.2536   1.8103   1.2651   0.9573  497.259  215.186  436.319  168.362 60.93970 273.2228 
1 1 1  -17   27    1 o  1152.04   52.436   6.2891   0.5559   6.3137   0.7132   6.2511   0.8873  1141.13   68.230  1117.95   86.936 23.17834 110.5136 
1 1 1  -17   27    2 o  457.181   86.783   1.0644   0.3517   0.9021   0.4161   1.4707   0.6583  410.543  108.508  507.355  137.546 -96.81180 175.1941 
1 1 1  -17   27    3 o  1154.49   53.206   6.3094   0.5652   6.3765   0.7323   6.2105   0.8891  1147.38   69.688  1116.69   87.216 30.68958 111.6376 
1 1 1  -17   27    4 o  617.191   69.722   1.8568   0.3890   1.9001   0.4987   1.7896   0.6217  612.772   91.235  575.285  121.262 37.48639 151.7509 
1 1 1  -17   27    5 o  628.130   74.964   1.9369   0.4247   2.2012   0.5823   1.6364   0.6208  655.361   99.706  546.946  125.957 108.4151 160.6438 
1 1 1  -17   27    6 o  237.553  105.025  -0.0460   0.4520   0.1287   1.2344  -0.0731   0.4858  374.696  169.017  242.488  107.954 132.2084 200.5512 
1 1 1  -17   27    7 f  384.121  103.317   0.7745   0.3731   0.5111   0.5352   1.0238   0.5205  334.333  126.638  433.103  124.187 -98.77057 177.3687 
1 1 1  -17   27    8 o  1355.76   54.575   8.7004   0.6808   9.4672   0.9945   8.0241   0.9340  1392.35   77.939  1279.85   79.706 112.4926 111.4788 
1 1 1  -17   27    9 o  816.499   93.834   3.3643   0.6922   3.3987   0.7654   3.2097   1.6212  812.120  104.881  655.057  223.861 157.0630 247.2118 
1 1 1  -17   27   10 o  672.111   86.487   2.2643   0.5225   2.6412   0.7757   1.9512   0.7069  697.524  125.465  591.486  133.095 106.0380 182.9090 
1 1 1  -17   27   11 f  1164.75   67.734   6.5670   0.7228   5.8689   0.9411   7.5712   1.1287  1074.38   96.215  1214.07  101.979 -139.6979 140.2035 
1 1 1  -17   27   12 o  249.524  106.150   0.1069   0.4266   0.1991   0.6602   0.0409   0.5590  303.328  130.609  268.252  117.765 35.07623 175.8609 
1 1 1  -17   27   13 o  299.375  112.063   0.4205   0.4163   0.0196   0.6647   0.6794   0.5341  282.998  126.112  356.353  127.975 -73.35516 179.6713 
1 1 1  -17   27   14 o  171.541   83.114  -0.5639   0.4056  -1.2606   0.6385  -0.0925   0.5253  191.120   94.862  243.470  109.999 -52.35017 145.2539 
1 1 1  -17   27   15 o  539.880  107.562   1.6006   0.5156   1.2478   0.8018   1.8494   0.6732  436.931  156.807  557.568  133.070 -120.6372 205.6602 
1 1 1  -17   27   16 o  414.760  128.015   1.0348   0.5375   1.2719   0.8513   0.8776   0.6931  432.224  160.546  380.343  144.109 51.88077 215.7369 
1 1 1  -17   29    1 f  565.740   90.980   1.6733   0.4576   1.3905   0.5465   2.3362   0.8367  491.827  121.480  611.550  149.858 -119.7223 192.9116 
1 1 1  -17   29    2 o  540.846   91.027   1.5261   0.4369   1.7227   0.5109   0.9912   0.8428  567.480  101.578  404.981  157.494 162.4985 187.4098 
1 1 1  -17   29    3 o  788.433   69.349   3.0629   0.4980   2.7561   0.5950   3.7807   0.9102  731.326   90.333  821.744  124.247 -90.41803 153.6138 
1 1 1  -17   29    4 o  410.245  144.195   1.0017   0.6747  -0.6750   1.3673   1.5414   0.7757  327.208  157.029  493.959  154.006 -166.7503 219.9451 
1 1 1  -17   29    5 o  650.751  123.410   2.3713   0.7119   5.9005   1.8022   1.7187   0.7750  869.081  223.961  525.176  151.800 343.9045 270.5582 
1 1 1  -17   29    6 o  419.484  111.155   0.9726   0.4359   1.0764   0.5624   0.8163   0.6900  429.929  130.621  381.663  143.985 48.26596 194.4061 
1 1 1  -17   29    7 o  290.901  110.796   0.3871   0.4111   0.3425   0.5368   0.4505   0.6391  299.605  122.552  326.403  133.643 -26.79782 181.3272 
1 1 1  -17   29    8 o  901.975   97.994   4.2539   0.8002   4.2539   0.8002   0.0000   0.0000  901.975   97.994  ?   ?  0.000000 97.99434 
1 1 1  -17   29    9 o  1049.84   71.750   5.4524   0.6890   5.3648   0.9208   5.5638   1.0386  1008.47  100.564  1009.76  113.756 -1.294617 151.8344 
1 1 1  -17   29   10 o  421.305  116.739   1.0134   0.4682   0.9462   0.6862   1.0720   0.6404  395.632  144.623  418.171  140.706 -22.53891 201.7773 
1 1 1  -17   29   11 o  855.466   78.453   3.7061   0.6107   5.5620   0.9790   2.5239   0.7813  1011.89  106.752  649.776  135.085 362.1187 172.1735 
1 1 1  -17   29   12 o  295.129  115.977   0.4143   0.4609   0.5130   0.7186   0.3452   0.6007  331.067  139.141  300.108  126.729 30.95953 188.2034 
1 1 1  -17   29   13 o  334.470  122.491   0.6375   0.4926   0.9049   0.7161   0.3974   0.6786  377.849  145.666  311.632  133.255 66.21677 197.4220 
1 1 1  -17   29   14 o  618.874  136.048   2.3923   0.7536   2.4461   0.9553   2.3036   1.2264  575.211  169.194  505.048  191.613 70.16287 255.6211 
1 1 1  -17   31    1 o  264.955  109.515   0.2964   0.4344  -0.3203   0.5119   1.8845   0.8214  210.224   99.525  498.646  158.880 -288.4222 187.4783 
1 1 1  -17   31    2 o  548.711  142.479   2.0119   0.7258   1.2985   1.4000   2.2740   0.8487  393.925  178.631  561.211  157.771 -167.2858 238.3293 
1 1 1  -17   31    3 o  612.362  140.962   2.4360   0.7778   1.4877   1.4248   2.8386   0.9284  409.613  183.435  634.532  159.252 -224.9195 242.9185 
1 1 1  -17   31    4 o  375.865  117.894   0.8556   0.4538   0.9171   0.5512   0.7265   0.7993  379.771  130.515  349.469  146.806 30.30151 196.4335 
1 1 1  -17   31    5 o  330.210  115.180   0.6345   0.4301   0.8930   0.5465   0.2142   0.6970  376.169  129.919  290.130  129.228 86.03937 183.2449 
1 1 1  -17   31    6 o  232.119  107.180  -0.1460   0.5354  -0.1015   0.5674  -0.5065   1.6161  242.045  111.246  326.001  159.685 -83.95653 194.6150 
1 1 1  -17   31    7 o  325.389  151.039   0.2615   1.0839   1.2843   1.4809  -0.9187   1.5908  397.515  181.589  310.402  153.281 87.11295 237.6328 
1 1 1  -17   31    8 o  282.786  114.160   0.3798   0.4586   0.5368   0.6444   0.2186   0.6529  318.819  132.711  283.683  125.783 35.13596 182.8484 
1 1 1  -17   31    9 o  436.474  123.040   1.1917   0.5154   1.2471   0.7401   1.1394   0.7183  414.537  150.398  400.157  147.700 14.37964 210.7958 
1 1 1  -17   31   10 o  681.747   96.522   2.5728   0.5886   3.3223   0.8749   1.9531   0.7955  718.728  137.291  516.531  155.008 202.1973 207.0654 
1 1 1  -17   31   11 o  313.301  121.758   0.5694   0.5035   0.9256   0.7113   0.2117   0.7127  365.450  143.932  285.575  128.660 79.87479 193.0537 
1 1 1  -17   33    1 f  206.218  102.193  -0.8540   0.7298  -2.2048   1.4250  -0.3736   0.8497  237.943  120.987  241.720  117.835 -3.777054 168.8875 
1 1 1  -17   33    2 o  193.514   92.914  -0.3430   0.4800  -0.5161   0.5887   0.0003   0.8290  202.217   98.468  261.810  124.722 -59.59335 158.9073 
1 1 1  -17   33    3 o  220.200  100.508   0.0099   0.4525   0.3101   0.5240  -0.8709   0.8975  263.066  114.789  229.319  113.585 33.74690 161.4867 
1 1 1  -17   33    4 f  256.508  110.139   0.2900   0.4671   0.9145   0.5566  -1.1966   0.8587  352.718  130.049  213.956  106.811 138.7615 168.2896 
1 1 1  -17   33    5 o  406.502  134.462   1.2304   0.5852   1.3711   0.6215   0.1275   1.7398  424.561  138.471  312.121  155.201 112.4402 207.9936 
1 1 1  -17   33    6 o  402.667  179.035   2.0870   1.3317   2.3862   1.7580   1.6842   2.0401  387.956  183.891  355.358  175.120 32.59729 253.9348 
1 1 1  -17   33    7 o  397.582  179.806   2.0874   1.4075   4.9783   2.3384   0.4450   1.7626  442.798  210.524  323.225  159.932 119.5731 264.3838 
1 1 1  -16    0    1 o  207.685  110.285   0.2883   0.2842   0.2883   0.2842   0.2883   0.2842  207.685  110.285  207.685  110.285 0.000000 0.000000 
1 1 1  -16    0    2 o  1227.60   52.036   6.9843   0.5854   6.9843   0.5854   6.9843   0.5854  1227.60   52.036  1227.60   52.036 0.000000 0.000000 
1 1 1  -16    0    3 f  1083.04   53.851   5.4479   0.5336   5.4479   0.5336   5.4479   0.5336  1083.04   53.851  1083.04   53.851 0.000000 0.000000 
1 1 1  -16    0    4 o  2117.82   48.842   20.706   0.9507   20.706   0.9507   20.706   0.9507  2117.82   48.842  2117.82   48.842 0.000000 0.000000 
1 1 1  -16    0    5 o  2994.55   49.079   41.374   1.3516   41.374   1.3516   41.374   1.3516  2994.55   49.079  2994.55   49.079 0.000000 0.000000 
1 1 1  -16    0    6 o  791.983   68.087   2.9620   0.4877   2.9620   0.4877   2.9620   0.4877  791.983   68.087  791.983   68.087 0.000000 0.000000 
1 1 1  -16    0    7 o  844.724  104.174   3.4692   0.7767   3.4692   0.7767   3.4692   0.7767  844.724  104.174  844.724  104.174 0.000000 0.000000 
1 1 1  -16    0    8 o  869.170  107.050   3.6866   0.8213   3.6866   0.8213   3.6866   0.8213  869.170  107.050  869.170  107.050 0.000000 0.000000 
1 1 1  -16    0    9 o  132.834   91.597  -0.2738   0.3733  -0.2738   0.3733  -0.2738   0.3733  132.834   91.597  132.834   91.597 0.000000 0.000000 
1 1 1  -16    0   10 o  1124.42   67.783   5.9428   0.6955   5.9428   0.6955   5.9428   0.6955  1124.42   67.783  1124.42   67.783 0.000000 0.000000 
1 1 1  -16    0   11 o  195.606  126.672   0.0166   0.5385   0.0166   0.5385   0.0166   0.5385  195.606  126.672  195.606  126.672 0.000000 0.000000 
1 1 1  -16    0   12 o  732.850   86.588   2.6320   0.5625   2.6320   0.5625   2.6320   0.5625  732.850   86.588  732.850   86.588 0.000000 0.000000 
1 1 1  -16    0   13 o  169.671  106.412   0.0928   0.3450   0.0928   0.3450   0.0928   0.3450  169.671  106.412  169.671  106.412 0.000000 0.000000 
1 1 1  -16    0   14 o  711.256   76.399   2.4646   0.4854   2.4646   0.4854   2.4646   0.4854  711.256   76.399  711.256   76.399 0.000000 0.000000 
1 1 1  -16    0   15 o  748.258   77.253   2.7267   0.5189   2.7267   0.5189   2.7267   0.5189  748.258   77.253  748.258   77.253 0.000000 0.000000 
1 1 1  -16    0   16 o  944.140   68.257   4.2536   0.5859   4.2536   0.5859   4.2536   0.5859  944.140   68.257  944.140   68.257 0.000000 0.000000 
1 1 1  -16    0   17 f  116.129   82.987  -0.5773   0.4024  -0.5773   0.4024  -0.5773   0.4024  116.129   82.987  116.129   82.987 0.000000 0.000000 
1 1 1  -16    0   18 o  239.557  136.386   0.3930   0.4693   0.3930   0.4693   0.3930   0.4693  239.557  136.386  239.557  136.386 0.000000 0.000000 
1 1 1  -16    0   19 o  963.918   77.353   4.4571   0.6759   4.4571   0.6759   4.4571   0.6759  963.918   77.353  963.918   77.353 0.000000 0.000000 
1 1 1  -16    0   20 o  1225.18   89.323   7.2124   0.9947   7.2124   0.9947   7.2124   0.9947  1225.18   89.323  1225.18   89.323 0.000000 0.000000 
1 1 1  -16    0   21 o  189.431  115.659   0.1686   0.3820   0.1686   0.3820   0.1686   0.3820  189.431  115.659  189.431  115.659 0.000000 0.000000 
1 1 1  -16    0   22 f  190.266  119.900   0.1143   0.4439   0.1143   0.4439   0.1143   0.4439  190.266  119.900  190.266  119.900 0.000000 0.000000 
1 1 1  -16    0   23 o  827.427  132.488   3.6111   0.9312   3.6111   0.9312   3.6111   0.9312  827.427  132.488  827.427  132.488 0.000000 0.000000 
1 1 1  -16    0   24 o  441.719  162.241   1.3208   0.6095   1.3208   0.6095   1.3208   0.6095  441.719  162.241  441.719  162.241 0.000000 0.000000 
1 1 1  -16    0   25 o  250.391  146.964   0.4675   0.5711   0.4675   0.5711   0.4675   0.5711  250.391  146.964  250.391  146.964 0.000000 0.000000 
1 1 1  -16    0   26 o  147.368  105.347  -0.7945   0.6508  -0.7945   0.6508  -0.7945   0.6508  147.368  105.347  147.368  105.347 0.000000 0.000000 
1 1 1  -16    2    1 o  1832.80   33.947   15.481   0.5725   14.982   0.8026   15.997   0.8169  1801.52   48.417  1861.59   47.688 -60.06360 67.95786 
1 1 1  -16    2    2 o  1457.24   35.146   9.7864   0.4713   10.402   0.6829   9.2268   0.6512  1501.12   49.439  1413.74   50.059 87.38391 70.35683 
1 1 1  -16    2    3 o  817.893   40.405   3.0844   0.3041   3.0350   0.4335   3.1323   0.4267  808.249   58.683  821.408   56.802 -13.15863 81.67149 
1 1 1  -16    2    4 o  1421.06   36.220   9.3076   0.4736   9.6263   0.6798   9.0070   0.6602  1443.91   51.168  1396.67   51.370 47.24133 72.50541 
1 1 1  -16    2    5 o  1523.03   37.100   10.694   0.5199   10.591   0.7312   10.799   0.7394  1514.14   52.484  1528.95   52.556 -14.81384 74.27490 
1 1 1  -16    2    6 o  1167.47   47.048   6.2939   0.5054   6.9528   0.9124   6.0022   0.6071  1219.93   81.752  1137.54   58.193 82.39001 100.3486 
1 1 1  -16    2    7 o  1009.29   51.529   4.7230   0.4770   4.8925   0.8238   4.6375   0.5850  1019.79   88.668  998.006   64.040 21.78369 109.3766 
1 1 1  -16    2    8 o  2286.29   45.613   24.168   0.9596   23.189   1.1458   26.467   1.7560  2236.82   55.669  2380.32   80.171 -143.4988 97.60329 
1 1 1  -16    2    9 o  831.492   52.101   3.2185   0.3966   3.2739   0.5678   3.1657   0.5542  833.556   74.828  819.698   74.287 13.85858 105.4410 
1 1 1  -16    2   10 o  1284.35   53.349   7.6642   0.6305   7.4611   0.7639   8.0986   1.1168  1262.30   65.992  1303.97   93.701 -41.66858 114.6073 
1 1 1  -16    2   11 o  1726.12   51.504   13.856   0.8181   15.001   1.4760   13.348   0.9828  1774.20   90.716  1689.64   63.213 84.56226 110.5678 
1 1 1  -16    2   12 o  452.104   73.141   0.9866   0.2939   1.0902   0.4722   0.9210   0.3755  464.615  111.807  430.068   97.167 34.54718 148.1290 
1 1 1  -16    2   13 o  218.489   89.002   0.1020   0.2817   0.1532   0.4949   0.0775   0.3425  281.264  116.623  231.664   96.623 49.60031 151.4492 
1 1 1  -16    2   14 o  698.625   61.118   2.3097   0.3889   2.0154   0.6012   2.5215   0.5101  634.536  106.749  724.208   77.763 -89.67157 132.0699 
1 1 1  -16    2   15 o  747.809   52.634   2.6264   0.3599   2.2837   0.4927   3.0184   0.5269  688.081   79.266  794.808   72.854 -106.7275 107.6605 
1 1 1  -16    2   16 o  743.030   51.012   2.5888   0.3467   2.7702   0.4572   2.3434   0.5318  764.142   65.654  695.225   84.886 68.91669 107.3130 
1 1 1  -16    2   17 o  303.072   92.236   0.4463   0.2802   0.1511   0.3628   0.8829   0.4412  249.921  101.311  416.896  112.432 -166.9750 151.3432 
1 1 1  -16    2   18 o  1057.64   45.406   5.1989   0.4419   6.0089   0.6088   4.2972   0.6424  1131.81   58.662  951.038   73.985 180.7667 94.41966 
1 1 1  -16    2   19 o  643.126   64.103   1.9549   0.3743   1.5639   0.4757   2.5905   0.6065  565.337   94.796  731.950   92.092 -166.6132 132.1641 
1 1 1  -16    2   20 o  1349.06   63.019   8.5004   0.7823   8.2898   1.0731   8.7394   1.1429  1319.82   88.875  1353.53   92.315 -33.70593 128.1436 
1 1 1  -16    2   21 f  469.187   88.191   1.0737   0.3668   1.1007   0.4918   1.0398   0.5505  468.709  114.914  454.646  126.809 14.06311 171.1303 
1 1 1  -16    2   22 o  1187.55   52.366   6.5603   0.5722   5.8064   0.7204   7.8492   0.9419  1110.06   70.899  1287.35   79.911 -177.2936 106.8285 
1 1 1  -16    2   23 o  249.695  105.655   0.0551   0.4189   0.2705   0.5921  -0.1607   0.5927  318.911  129.368  266.897  119.003 52.01328 175.7777 
1 1 1  -16    2   24 o  518.909   91.216   1.3293   0.4196   1.4793   0.5882   1.1738   0.5989  535.764  122.038  474.312  132.247 61.45145 179.9517 
1 1 1  -16    2   25 o  853.136   65.600   3.4665   0.5110   3.4068   0.7275   3.5247   0.7180  829.364   97.173  845.704   93.846 -16.33997 135.0916 
1 1 1  -16    2   26 o  283.024  130.570  -0.3717   0.7920  -0.4046   1.2468  -0.3494   1.0254  351.220  162.660  323.886  149.115 27.33420 220.6663 
1 1 1  -16    4    1 o  1090.55   43.303   5.4888   0.4345   4.5981   0.7635   5.9155   0.5285  990.343   84.597  1131.49   50.759 -141.1460 98.65612 
1 1 1  -16    4    2 o  781.700   48.690   2.8325   0.3485   3.9516   0.7368   2.5100   0.3955  917.123   88.404  734.304   59.035 182.8184 106.3036 
1 1 1  -16    4    3 o  1616.82   41.960   12.060   0.6243   9.7978   1.1692   12.961   0.7383  1448.12   88.166  1675.50   47.887 -227.3809 100.3320 
1 1 1  -16    4    4 o  1347.48   41.588   8.3765   0.5157   8.4031   0.8774   8.3625   0.6374  1344.26   71.183  1345.38   51.484 -1.119507 87.84966 
1 1 1  -16    4    5 o  1592.42   41.384   11.701   0.6064   11.994   1.0453   11.551   0.7445  1607.87   70.653  1581.04   51.173 26.82935 87.23820 
1 1 1  -16    4    6 o  1655.41   38.232   12.643   0.5824   13.398   0.8506   11.977   0.7990  1701.71   54.319  1608.99   53.970 92.72571 76.57202 
1 1 1  -16    4    7 o  836.277   47.511   3.2442   0.3641   3.3676   0.5201   3.1256   0.5099  848.689   67.142  817.166   68.443 31.52356 95.87737 
1 1 1  -16    4    8 o  1322.98   43.022   8.0930   0.5237   7.7274   0.7330   8.4743   0.7486  1289.35   61.785  1350.57   60.235 -61.21973 86.28841 
1 1 1  -16    4    9 o  1432.09   49.384   9.5100   0.6508   9.6429   0.8168   9.2791   1.0768  1438.92   61.690  1402.01   83.851 36.91516 104.0992 
1 1 1  -16    4   10 o  1084.95   44.008   5.4549   0.4393   5.6455   0.6952   5.3281   0.5669  1095.88   69.295  1067.96   57.906 27.91174 90.30474 
1 1 1  -16    4   11 o  2057.72   38.721   19.608   0.7332   18.932   1.1511   20.070   0.9510  2011.67   62.183  2077.44   49.751 -65.76343 79.63608 
1 1 1  -16    4   12 o  692.845   77.755   2.3006   0.4872   1.6795   0.8177   2.6424   0.6065  561.920  153.705  737.805   91.291 -175.8854 178.7719 
1 1 1  -16    4   13 o  991.062   43.889   4.5669   0.4002   3.6218   0.5366   5.7519   0.6009  874.048   67.236  1105.98   59.259 -231.9312 89.62328 
1 1 1  -16    4   14 o  500.884   70.310   1.2085   0.3151   0.8376   0.4445   1.5832   0.4468  405.148  114.283  568.024   88.357 -162.8757 144.4557 
1 1 1  -16    4   15 o  392.820   85.995   0.7669   0.3022   0.1977   0.4022   1.5048   0.4580  266.781  107.185  551.444   93.604 -284.6627 142.3035 
1 1 1  -16    4   16 o  668.200   60.228   2.1120   0.3663   2.3510   0.5169   1.8708   0.5193  697.481   82.107  616.322   94.588 81.15820 125.2538 
1 1 1  -16    4   17 o  423.622   81.995   0.8815   0.3081   0.8275   0.4082   0.9530   0.4696  404.529  107.728  432.218  115.762 -27.68909 158.1335 
1 1 1  -16    4   18 o  1103.77   45.420   5.6618   0.4613   6.2038   0.6207   4.9930   0.6895  1150.08   58.851  1025.86   73.528 124.2246 94.17991 
1 1 1  -16    4   19 o  417.210   90.572   0.8586   0.3377   1.2947   0.4463   0.2738   0.5167  512.343   98.233  306.063  121.995 206.2793 156.6285 
1 1 1  -16    4   20 o  1078.55   68.313   5.4682   0.6745   6.1645   0.9839   4.8510   0.9263  1134.45   95.136  1002.57  101.827 131.8873 139.3540 
1 1 1  -16    4   21 o  777.495   60.848   2.8371   0.4318   2.7001   0.5516   3.0539   0.6940  752.689   80.919  795.352   96.830 -42.66296 126.1902 
1 1 1  -16    4   22 o  1101.33   65.653   5.6994   0.6623   5.5205   0.8608   5.9591   1.0370  1075.09   87.776  1109.90  102.700 -34.81323 135.0993 
1 1 1  -16    4   23 o  402.716  122.984   0.8118   0.4976   0.4080   0.5936   1.7661   0.9126  338.794  132.055  573.585  164.425 -234.7906 210.8882 
1 1 1  -16    4   24 o  349.950  115.925   0.5933   0.4349   0.8378   0.5695   0.2512   0.6737  407.414  132.544  327.498  135.957 79.91608 189.8742 
1 1 1  -16    4   25 o  285.319  112.618   0.2765   0.4364  -0.1651   0.5565   0.9813   0.7031  253.285  113.939  432.643  147.422 -179.3581 186.3206 
1 1 1  -16    4   26 o  363.160  165.964  -0.1759   1.2387  -0.1759   1.2387   0.0000   0.0000  363.160  165.964  ?   ?  0.000000 165.9645 
1 1 1  -16    6    1 o  1850.37   35.763   15.795   0.6089   14.849   0.9454   16.466   0.7960  1790.32   57.389  1887.60   45.828 -97.28308 73.44195 
1 1 1  -16    6    2 o  1776.83   36.744   14.564   0.6008   14.591   0.9709   14.548   0.7647  1774.61   59.460  1774.34   46.837 0.2714844 75.69183 
1 1 1  -16    6    3 o  1945.88   34.365   17.461   0.6153   16.686   0.8729   18.226   0.8675  1899.80   49.933  1985.96   47.471 -86.16663 68.89714 
1 1 1  -16    6    4 o  651.917   46.500   1.9736   0.2771   1.9366   0.4018   2.0072   0.3827  642.128   69.095  654.721   64.348 -12.59375 94.41828 
1 1 1  -16    6    5 o  1140.05   39.861   6.0000   0.4182   5.7134   0.5892   6.2909   0.5936  1108.93   57.939  1165.54   55.347 -56.60742 80.12579 
1 1 1  -16    6    6 o  2292.98   43.127   24.299   0.9099   26.016   1.7000   23.610   1.0773  2360.45   78.268  2257.96   51.849 102.4856 93.88425 
1 1 1  -16    6    7 o  211.683   81.725   0.1389   0.2257  -0.0090   0.5511   0.1687   0.2474  277.684  119.450  225.421   85.926 52.26364 147.1447 
1 1 1  -16    6    8 o  1054.99   44.483   5.1538   0.4318   5.2686   0.6485   5.0623   0.5788  1060.41   66.802  1041.01   60.688 19.40149 90.25280 
1 1 1  -16    6    9 o  174.690   77.191  -0.0694   0.2439  -0.1675   0.3844  -0.0033   0.3155  210.484   94.688  211.415   90.641 -0.9316559 131.0781 
1 1 1  -16    6   10 o  940.392   44.431   4.1027   0.3845   4.8883   0.6453   3.6704   0.4787  1018.27   69.287  884.764   59.138 133.5041 91.09323 
1 1 1  -16    6   11 o  322.677   83.155   0.5133   0.2484   0.4078   0.3437   0.6288   0.3595  300.353  103.071  356.286  103.511 -55.93323 146.0754 
1 1 1  -16    6   12 o  209.949   89.937   0.0072   0.3101  -0.1757   0.4134   0.2426   0.4690  216.689   97.772  289.296  115.914 -72.60654 151.6425 
1 1 1  -16    6   13 o  1008.97   44.168   4.7370   0.4101   4.2085   0.5631   5.3338   0.5983  942.655   65.322  1063.41   61.408 -120.7569 89.65485 
1 1 1  -16    6   14 o  320.451   91.115   0.5099   0.2814   0.5393   0.4030   0.4818   0.3931  335.037  111.613  321.239  110.229 13.79736 156.8688 
1 1 1  -16    6   15 o  667.629   58.395   2.1070   0.3551   2.2910   0.5023   1.9231   0.5022  688.318   80.843  626.371   89.687 61.94739 120.7448 
1 1 1  -16    6   16 o  229.396   91.602   0.1430   0.2918   0.0931   0.3969   0.2018   0.4305  248.371  103.832  274.021  110.611 -25.65047 151.7099 
1 1 1  -16    6   17 f  455.912   83.970   1.0202   0.3393   1.9141   0.5185   0.3509   0.4487  624.909   93.011  304.205  115.780 320.7036 148.5123 
1 1 1  -16    6   18 o  614.979   69.107   1.8006   0.3843   1.9279   0.5656   1.6914   0.5238  625.082  101.836  585.011  100.949 40.07031 143.3923 
1 1 1  -16    6   19 o  293.233  102.138   0.3769   0.3381   0.4101   0.4745   0.3426   0.4820  321.819  119.795  311.036  119.619 10.78333 169.2912 
1 1 1  -16    6   20 o  1303.63   47.410   7.8869   0.5687   8.4381   0.7788   7.2572   0.8324  1344.00   62.975  1241.10   73.213 102.9021 96.57114 
1 1 1  -16    6   21 o  498.553   84.779   1.2059   0.3750   1.3135   0.4937   1.0592   0.5765  513.881  107.846  457.885  130.499 55.99622 169.2946 
1 1 1  -16    6   22 o  426.128  115.153   0.9139   0.4622   0.2369   0.6129   1.8071   0.7040  318.985  130.768  594.312  132.148 -275.3266 185.9129 
1 1 1  -16    6   23 o  546.454  104.927   1.4925   0.5084   1.5612   0.6293   1.3636   0.8627  550.536  126.838  508.162  162.925 42.37326 206.4763 
1 1 1  -16    6   24 o  335.778  111.320   0.5449   0.4010   0.6651   0.5223   0.3722   0.6261  370.286  127.051  334.514  133.962 35.77240 184.6291 
1 1 1  -16    6   25 o  460.768  113.999   1.1105   0.4807   0.9941   0.6252   1.2787   0.7517  431.846  138.725  481.039  151.856 -49.19290 205.6816 
1 1 1  -16    8    1 o  763.203   38.787   2.6985   0.2715   3.1348   0.3961   2.3119   0.3729  820.459   52.745  703.071   58.158 117.3878 78.51313 
1 1 1  -16    8    2 o  353.787   64.037   0.5998   0.2008   0.6262   0.2969   0.5776   0.2726  358.068   90.173  344.175   86.239 13.89316 124.7734 
1 1 1  -16    8    3 o  2411.19   33.040   26.828   0.7330   27.295   1.0575   26.395   1.0171  2428.35   47.324  2388.28   46.282 40.06836 66.19357 
1 1 1  -16    8    4 o  640.110   47.054   1.9067   0.2752   1.7256   0.3966   2.0748   0.3822  603.862   72.851  664.986   63.221 -61.12329 96.45774 
1 1 1  -16    8    5 o  1307.99   33.404   7.8970   0.4020   8.2334   0.6677   7.7056   0.5036  1331.99   54.477  1290.77   42.398 41.21948 69.03118 
1 1 1  -16    8    6 o  1154.88   38.804   6.1661   0.4124   5.9121   0.6160   6.3724   0.5551  1125.62   59.683  1171.90   51.479 -46.27881 78.81734 
1 1 1  -16    8    7 o  377.322   70.990   0.6875   0.2374   0.9310   0.3727   0.5211   0.3080  434.839   95.734  327.890   95.972 106.9490 135.5564 
1 1 1  -16    8    8 o  912.966   37.404   3.8559   0.3142   3.7988   0.4379   3.9165   0.4511  902.201   52.984  915.921   53.763 -13.72058 75.48341 
1 1 1  -16    8    9 o  346.747   89.001   0.5937   0.2854   0.5829   0.4053   0.6043   0.4020  348.443  111.660  353.154  110.995 -4.710663 157.4416 
1 1 1  -16    8   10 o  328.945   80.595   0.5335   0.2420   0.7214   0.3638   0.3842   0.3242  379.732  101.965  291.846  100.101 87.88586 142.8879 
1 1 1  -16    8   11 o  739.336   61.009   2.5824   0.4113   1.7755   0.8340   2.8418   0.4729  574.250  154.468  773.757   67.078 -199.5075 168.4037 
1 1 1  -16    8   12 o  498.297   97.038   1.2413   0.4289   0.8701   0.6973   1.4672   0.5440  419.358  146.640  535.858  113.846 -116.4999 185.6449 
1 1 1  -16    8   13 o  268.164   91.108   0.3287   0.2685  -0.2245   0.3617   1.0083   0.4009  194.163   89.082  446.550  100.037 -252.3869 133.9515 
1 1 1  -16    8   14 o  509.074   67.786   1.2457   0.3096   1.3051   0.4487   1.1918   0.4279  509.845   99.205  486.800   98.893 23.04471 140.0767 
1 1 1  -16    8   15 f  865.454   51.369   3.5122   0.4073   4.5858   0.6213   2.7033   0.5393  982.167   69.187  748.779   79.484 233.3879 105.3778 
1 1 1  -16    8   16 o  377.492   90.408   0.7118   0.3099   0.7954   0.4387   0.6286   0.4378  395.835  114.161  358.162  116.187 37.67227 162.8869 
1 1 1  -16    8   17 o  604.103   70.835   1.7450   0.3863   2.3313   0.5585   1.2074   0.5348  692.241   89.803  485.014  120.393 207.2269 150.1967 
1 1 1  -16    8   18 o  292.182  100.417   0.3829   0.3263   0.9238   0.4600  -0.1649   0.4629  427.604  114.593  233.064  104.452 194.5399 155.0548 
1 1 1  -16    8   19 o  888.793   65.990   3.7186   0.5358   3.1525   0.8109   4.1573   0.7139  800.336  113.280  933.701   83.990 -133.3643 141.0202 
1 1 1  -16    8   20 o  1231.56   57.748   7.0708   0.6544   6.6305   0.8386   7.7566   1.0466  1184.12   77.391  1275.32   89.755 -91.20178 118.5129 
1 1 1  -16    8   21 o  443.016   97.109   0.9723   0.3849   0.9425   0.5337   1.0046   0.5558  432.914  126.210  445.933  128.456 -13.01907 180.0829 
1 1 1  -16    8   22 o  1103.44   63.116   5.7246   0.6382   5.8722   0.8288   5.5097   1.0003  1109.67   81.744  1063.50  103.528 46.16565 131.9092 
1 1 1  -16    8   23 o  815.846   98.844   3.2683   0.7269   3.9722   1.0382   2.5916   1.0180  880.152  132.288  689.505  163.022 190.6465 209.9439 
1 1 1  -16    8   24 o  359.916  118.000   0.6451   0.4511   0.7733   0.5801   0.4491   0.7174  392.457  133.912  355.912  143.092 36.54550 195.9790 
1 1 1  -16    8   25 o  319.024  115.108   0.4696   0.4327   0.1133   0.5429   1.0898   0.7162  280.350  119.518  446.663  148.793 -166.3135 190.8503 
1 1 1  -16   10    1 o  805.245   50.409   3.0262   0.3716   3.0262   0.3716   0.0000   0.0000  805.245   50.409  ?   ?  0.000000 50.40891 
1 1 1  -16   10    2 f  754.174   41.209   2.6421   0.2849   2.2090   0.3712   3.2627   0.4444  685.683   59.425  834.587   58.228 -148.9038 83.19754 
1 1 1  -16   10    3 o  661.054   37.870   2.0282   0.2294   2.0159   0.3732   2.0357   0.2908  654.103   62.770  660.502   48.186 -6.398804 79.13280 
1 1 1  -16   10    4 o  465.649   49.713   1.0182   0.2097   0.5242   0.3326   1.3443   0.2702  329.692  100.519  534.533   55.753 -204.8405 114.9453 
1 1 1  -16   10    5 o  1747.52   34.339   14.116   0.5522   13.625   0.8326   14.502   0.7378  1711.41   52.868  1768.16   45.346 -56.75220 69.65162 
1 1 1  -16   10    6 o  674.581   38.559   2.1135   0.2384   2.6243   0.3542   1.6905   0.3223  749.331   51.680  598.973   59.247 150.3576 78.61967 
1 1 1  -16   10    7 o  641.460   42.431   1.9165   0.2490   1.7938   0.3576   2.0319   0.3470  615.652   64.068  657.206   57.971 -41.55328 86.40236 
1 1 1  -16   10    8 o  451.836   55.147   0.9666   0.2245   1.4206   0.3366   0.6026   0.3014  545.480   68.571  348.526   92.456 196.9534 115.1086 
1 1 1  -16   10    9 o  743.324   54.925   2.5963   0.3730   2.7353   0.5499   2.4779   0.5077  754.320   80.469  718.497   78.041 35.82306 112.0964 
1 1 1  -16   10   10 o  216.947   83.379   0.1589   0.2341   0.2032   0.3456   0.1213   0.3182  254.917  100.353  232.202   94.596 22.71420 137.9100 
1 1 1  -16   10   11 o  232.822   84.407   0.2221   0.2330   0.0178   0.3097   0.4888   0.3539  210.863   90.088  318.695  104.519 -107.8323 137.9858 
1 1 1  -16   10   12 o  635.598   70.132   1.9387   0.4033   2.0466   0.5613   1.8236   0.5800  641.183   98.264  599.414  109.180 41.76910 146.8881 
1 1 1  -16   10   13 o  266.390   91.006   0.3237   0.2679   0.3349   0.3688   0.3111   0.3899  285.297  105.729  284.185  107.988 1.111267 151.1287 
1 1 1  -16   10   14 o  619.096   61.953   1.8228   0.3482   1.4759   0.4688   2.2495   0.5200  543.462   97.325  679.321   85.047 -135.8596 129.2478 
1 1 1  -16   10   15 o  1107.26   47.218   5.7168   0.4811   5.0861   0.6674   6.3987   0.6940  1033.76   70.589  1162.80   65.127 -129.0414 96.04334 
1 1 1  -16   10   16 o  741.036   75.614   2.6328   0.5084   2.1862   1.0679   2.7637   0.5781  623.804  177.542  755.684   84.585 -131.8803 196.6618 
1 1 1  -16   10   17 o  787.009   74.485   2.9544   0.5330   5.2853   1.3124   2.4940   0.5833  1011.68  145.141  716.446   90.490 295.2328 171.0391 
1 1 1  -16   10   18 o  787.565   69.714   2.9370   0.5000   3.5468   0.8463   2.6101   0.6197  848.922  111.002  733.582   93.963 115.3401 145.4319 
1 1 1  -16   10   19 o  917.655   58.446   3.9443   0.4909   4.4690   0.7123   3.4696   0.6776  969.539   80.576  850.837   87.808 118.7020 119.1751 
1 1 1  -16   10   20 o  1995.91   58.429   18.591   1.0731   19.520   1.5723   17.781   1.4682  2029.80   84.180  1938.51   82.310 91.29041 117.7335 
1 1 1  -16   10   21 o  729.216   77.764   2.5397   0.5137   2.2213   0.6547   3.0500   0.8289  669.265  110.137  782.301  118.887 -113.0358 162.0625 
1 1 1  -16   10   22 o  1177.92   54.974   6.4850   0.5959   6.9012   0.8057   5.9826   0.8852  1205.97   72.948  1115.41   86.937 90.55798 113.4876 
1 1 1  -16   10   23 o  857.877   88.018   3.5820   0.6850   2.7899   0.7553   7.2504   1.6255  742.381  114.229  1164.27  155.620 -421.8928 193.0433 
1 1 1  -16   10   24 o  511.255  102.838   1.3365   0.4670   1.4026   0.6110   1.2435   0.7243  510.957  129.723  475.180  148.926 35.77759 197.5019 
1 1 1  -16   10   25 o  731.798  140.598   2.9435   0.9123   2.6139   1.0928   3.7020   1.6575  655.939  176.968  724.275  225.012 -68.33618 286.2662 
1 1 1  -16   12    1 o  614.318   93.230   1.8539   0.5105   1.8162   0.6976   1.8974   0.7489  590.931  131.658  601.100  138.283 -10.16882 190.9346 
1 1 1  -16   12    2 o  572.265   41.651   1.5282   0.2178   1.6495   0.3268   1.4313   0.2922  590.058   61.081  549.883   58.645 40.17517 84.67647 
1 1 1  -16   12    3 o  1331.92   30.050   8.1998   0.3683   8.0017   0.6084   8.3143   0.4627  1310.26   50.460  1339.46   37.542 -29.20752 62.89347 
1 1 1  -16   12    4 o  1082.63   29.581   5.4168   0.2947   5.6328   0.4242   5.2154   0.4096  1101.54   41.856  1059.91   42.000 41.62866 59.29539 
1 1 1  -16   12    5 o  1256.77   30.181   7.3016   0.3490   7.0170   0.4934   7.5866   0.4938  1228.84   43.639  1278.21   41.980 -49.37537 60.55347 
1 1 1  -16   12    6 o  972.915   33.797   4.3822   0.3026   4.4206   0.4279   4.3437   0.4279  974.170   47.735  965.560   48.160 8.609192 67.80840 
1 1 1  -16   12    7 o  815.406   38.199   3.0846   0.2866   2.7077   0.3974   3.4932   0.4138  757.987   57.403  863.093   52.345 -105.1052 77.68559 
1 1 1  -16   12    8 f  810.259   41.426   3.0598   0.3078   2.6868   0.4275   3.4617   0.4437  752.957   62.256  857.336   56.556 -104.3791 84.10914 
1 1 1  -16   12    9 o  505.369   75.898   1.2421   0.3420   1.0293   0.4990   1.4307   0.4697  445.048  119.390  533.846   99.275 -88.79718 155.2724 
1 1 1  -16   12   10 o  563.712   57.807   1.5094   0.2956   1.4931   0.4141   1.5264   0.4221  551.213   84.320  557.150   85.035 -5.937439 119.7538 
1 1 1  -16   12   11 o  529.054   60.954   1.3368   0.2913   1.5511   0.4092   1.1166   0.4148  562.894   81.366  469.299   99.159 93.59521 128.2695 
1 1 1  -16   12   12 o  474.574   89.250   1.1232   0.3754   0.8998   0.4843   1.4595   0.5943  415.797  119.956  526.515  124.598 -110.7186 172.9570 
1 1 1  -16   12   13 o  1279.33   42.796   7.6225   0.5038   8.4953   0.7255   6.8096   0.7001  1343.44   58.688  1198.85   63.695 144.5891 86.61054 
1 1 1  -16   12   14 o  232.087   92.307   0.1550   0.2952   0.1067   0.4004   0.2125   0.4370  250.414  104.457  275.934  111.421 -25.52031 152.7283 
1 1 1  -16   12   15 o  330.288   95.800   0.5428   0.3082   1.7101   0.4738  -0.3131   0.4057  589.567   90.210  198.750   92.307 390.8171 129.0673 
1 1 1  -16   12   16 o  750.224   59.669   2.6562   0.4085   2.8411   0.5950   2.4914   0.5618  766.121   85.883  716.408   87.016 49.71326 122.2606 
1 1 1  -16   12   17 o  338.335  100.252   0.5631   0.3343   0.8108   0.4909   0.3488   0.4566  402.139  122.009  306.088  116.728 96.05042 168.8534 
1 1 1  -16   12   18 o  644.186   75.607   1.9818   0.4396   2.0262   0.6847   1.9507   0.5735  634.321  121.739  629.746  102.489 4.575195 159.1364 
1 1 1  -16   12   19 o  1193.22   52.461   6.6285   0.5760   7.0680   0.8296   6.2195   0.8004  1222.94   74.070  1145.96   76.339 76.97473 106.3674 
1 1 1  -16   12   20 o  1001.06   72.605   4.7446   0.6642   6.4499   1.0260   3.5141   0.8716  1155.63   97.394  842.272  115.496 313.3561 151.0791 
1 1 1  -16   12   21 o  613.982  122.202   1.9195   0.6661   2.8820   1.3843   1.6295   0.7599  706.617  202.487  555.175  146.585 151.4425 249.9763 
1 1 1  -16   12   22 f  611.414  113.539   1.8993   0.6153   1.1787   1.3055   2.1050   0.6976  495.040  194.987  639.554  123.003 -144.5137 230.5418 
1 1 1  -16   12   23 o  663.356  107.997   2.2368   0.6365   1.9547   0.8371   2.6235   0.9801  592.864  152.563  684.825  158.640 -91.96014 220.0962 
1 1 1  -16   12   24 o  159.290   78.423  -0.7935   0.4059  -0.8085   0.5282  -0.7717   0.6342  192.772   93.733  221.133  106.338 -28.36053 141.7521 
1 1 1  -16   14    1 o  303.036  114.684   0.3749   0.4386  -0.0228   0.5314   1.2249   0.7770  262.723  115.093  472.892  154.860 -210.1696 192.9451 
1 1 1  -16   14    2 o  877.510   34.680   3.5727   0.2800   3.7945   0.4063   3.3720   0.3864  899.231   49.296  847.372   49.781 51.85870 70.05875 
1 1 1  -16   14    3 o  853.664   32.831   3.3776   0.2579   3.2289   0.4216   3.4665   0.3260  827.228   55.710  863.046   41.051 -35.81763 69.20119 
1 1 1  -16   14    4 o  770.884   35.100   2.7571   0.2490   2.7913   0.3797   2.7312   0.3298  769.528   53.961  763.317   47.186 6.210938 71.68147 
1 1 1  -16   14    5 o  623.433   38.619   1.8132   0.2205   2.2138   0.3403   1.5236   0.2894  684.690   54.464  566.735   56.234 117.9551 78.28536 
1 1 1  -16   14    6 o  484.059   48.873   1.1065   0.2147   1.3653   0.3231   0.9020   0.2873  532.530   67.449  428.670   75.603 103.8602 101.3172 
1 1 1  -16   14    7 o  149.669   66.290  -0.0517   0.1809  -0.1185   0.2640   0.0074   0.2483  172.956   78.075  187.918   80.489 -14.96169 112.1351 
1 1 1  -16   14    8 f  708.966   44.651   2.3551   0.2898   2.5066   0.4174   2.2142   0.4027  725.073   63.187  680.422   65.114 44.65118 90.73275 
1 1 1  -16   14    9 o  846.411   55.491   3.3852   0.4298   3.4557   0.6322   3.3245   0.5861  842.051   82.660  828.404   77.795 13.64758 113.5105 
1 1 1  -16   14   10 o  191.480   81.349   0.0246   0.2499   0.1197   0.3599  -0.0640   0.3474  241.009   99.655  208.898   92.228 32.11128 135.7840 
1 1 1  -16   14   11 o  730.394   52.116   2.5152   0.3480   2.5957   0.4894   2.4330   0.4948  733.492   73.504  708.254   77.175 25.23846 106.5774 
1 1 1  -16   14   12 o  350.300  104.238   0.6211   0.3609   0.5221   0.4708   0.7623   0.5619  335.721  120.193  388.588  131.801 -52.86633 178.3760 
1 1 1  -16   14   13 o  1079.78   45.044   5.4382   0.4475   5.8303   0.6352   5.0518   0.6306  1109.46   62.479  1030.33   66.879 79.12891 91.52319 
1 1 1  -16   14   14 f  724.820   58.213   2.4845   0.3850   2.5838   0.5503   2.3894   0.5387  729.123   83.533  699.993   85.412 29.13000 119.4701 
1 1 1  -16   14   15 o  388.717   92.074   0.7571   0.3243   0.3602   0.4298   1.2819   0.4941  301.568  113.663  501.648  110.067 -200.0799 158.2217 
1 1 1  -16   14   16 f  296.868  103.624   0.3931   0.3481   0.0141   0.4768   0.8260   0.5095  257.833  111.006  404.820  124.587 -146.9875 166.8661 
1 1 1  -16   14   17 o  629.692   75.030   1.8967   0.4262   2.5873   0.7079   1.5040   0.5337  722.881  109.882  547.998  109.678 174.8831 155.2528 
1 1 1  -16   14   18 o  1542.98   47.785   11.068   0.6784   12.354   1.0149   10.028   0.9122  1621.67   68.016  1461.11   67.849 160.5652 96.07079 
1 1 1  -16   14   19 o  732.739   70.117   2.5490   0.4670   2.4583   0.6609   2.6395   0.6599  706.367  104.867  734.370  100.280 -28.00348 145.0970 
1 1 1  -16   14   20 o  1026.96   82.566   5.0522   0.7736   6.5550   1.0655   3.3769   1.1250  1159.76  100.851  796.122  159.140 363.6403 188.4055 
1 1 1  -16   14   21 o  847.275   69.013   3.4174   0.5334   3.4468   0.7515   3.3876   0.7571  836.216   99.629  827.903  101.513 8.312927 142.2355 
1 1 1  -16   14   22 o  262.873  115.939  -0.0569   0.5476   0.1301   0.6938  -0.3657   0.8916  313.026  134.320  304.090  139.648 8.935486 193.7610 
1 1 1  -16   14   23 o  779.819   81.315   2.9813   0.5749   3.4227   0.8407   2.5936   0.7880  812.078  115.783  697.061  127.547 115.0166 172.2615 
1 1 1  -16   14   24 o  427.398  173.292   0.9192   1.0618   3.1965   1.5570  -1.0609   1.4518  664.283  219.295  335.916  161.368 328.3672 272.2683 
1 1 1  -16   16    1 o  312.034   54.969   0.4729   0.1521   0.4203   0.2135   0.5270   0.2167  289.196   78.293  324.347   74.210 -35.15161 107.8745 
1 1 1  -16   16    2 o  413.233   42.348   0.8061   0.1588   0.8523   0.2796   0.7841   0.1928  414.205   76.168  404.604   53.080 9.601440 92.83838 
1 1 1  -16   16    3 o  815.247   34.394   3.0892   0.2580   2.7494   0.4239   3.2892   0.3252  758.576   61.247  838.032   42.308 -79.45605 74.43877 
1 1 1  -16   16    4 o  236.554   74.130   0.2692   0.1795   0.3683   0.3083   0.2183   0.2207  281.055   97.543  227.375   82.190 53.67914 127.5528 
1 1 1  -16   16    5 o  245.255   75.534   0.2919   0.1872   0.5313   0.3179   0.1646   0.2317  324.011   98.148  215.814   82.950 108.1972 128.5059 
1 1 1  -16   16    6 o  814.976   41.925   3.1087   0.3133   3.3164   0.5313   2.9979   0.3880  829.402   70.273  796.136   53.271 33.26550 88.18229 
1 1 1  -16   16    7 o  775.625   46.474   2.8272   0.3302   3.1135   0.5378   2.6541   0.4182  801.720   73.727  745.542   61.516 56.17767 96.02014 
1 1 1  -16   16    8 o  197.815   80.717   0.0870   0.2321  -0.0455   0.3469   0.1944   0.3124  210.645   92.615  242.564   95.435 -31.91936 132.9859 
1 1 1  -16   16    9 o  255.950   97.965   0.2469   0.3223   0.8651   0.5547  -0.0684   0.3961  404.909  130.724  221.993   98.223 182.9165 163.5128 
1 1 1  -16   16   10 o  213.113   84.475   0.1344   0.2465  -0.0402   0.3508   0.3048   0.3465  212.984   93.398  273.173  102.231 -60.18919 138.4719 
1 1 1  -16   16   11 o  1065.09   57.255   5.3622   0.5591   5.2094   0.7456   5.5585   0.8450  1037.61   78.677  1066.34   86.872 -28.73047 117.2046 
1 1 1  -16   16   12 o  303.489   92.868   0.4551   0.2836   0.4856   0.3982   0.4237   0.4039  320.460  110.878  307.927  111.203 12.53296 157.0353 
1 1 1  -16   16   13 o  258.168   94.558   0.2753   0.2935   0.4396   0.4133   0.1081   0.4170  313.179  112.561  254.153  106.358 59.02649 154.8607 
1 1 1  -16   16   14 o  734.993   60.250   2.5573   0.4039   2.7276   0.5720   2.3880   0.5704  749.433   84.411  697.735   91.017 51.69733 124.1346 
1 1 1  -16   16   15 o  813.478   57.517   3.1151   0.4278   3.3954   0.6067   2.8380   0.6032  841.147   79.321  765.077   87.244 76.06982 117.9125 
1 1 1  -16   16   16 o  688.667   70.120   2.2571   0.4381   2.2857   0.6563   2.2341   0.5885  677.956  108.898  674.953   97.581 3.002930 146.2223 
1 1 1  -16   16   17 o  759.625   64.031   2.7257   0.4434   2.9222   0.6472   2.5518   0.6087  776.234   92.430  724.311   93.508 51.92291 131.4804 
1 1 1  -16   16   18 o  598.670   78.290   1.7255   0.4209   1.7847   0.6039   1.6695   0.5870  595.191  114.431  574.990  114.971 20.20148 162.2118 
1 1 1  -16   16   19 o  955.241   64.854   4.3123   0.5667   4.1157   0.7445   4.5832   0.8738  922.569   88.794  968.139   99.499 -45.56964 133.3586 
1 1 1  -16   16   20 o  491.230  133.993   1.2757   0.6224   1.3235   0.8461   1.2193   0.9189  495.251  161.574  480.818  168.323 14.43329 233.3207 
1 1 1  -16   16   21 o  463.091  108.452   1.1078   0.4540   1.7721   0.6554   0.4949   0.6295  579.000  126.551  349.528  136.060 229.4721 185.8161 
1 1 1  -16   16   22 o  290.997  124.646   0.1267   0.5956  -0.7091   0.7654   1.4093   0.9482  253.270  120.424  491.429  171.045 -238.1589 209.1846 
1 1 1  -16   16   23 o  327.597  121.156   0.5068   0.4838   1.4284   0.7178  -0.2604   0.6548  496.808  146.813  260.857  119.751 235.9512 189.4576 
1 1 1  -16   18    1 o  633.765   54.065   1.9174   0.3123   1.6958   0.3249   4.6067   1.1318  593.098   60.373  906.748  140.166 -313.6505 152.6148 
1 1 1  -16   18    2 o  755.485   42.404   2.6822   0.2936   2.8616   0.4096   2.4927   0.4210  773.509   57.969  718.466   64.368 55.04218 86.62391 
1 1 1  -16   18    3 o  463.203   51.334   1.0243   0.2151   1.4386   0.3422   0.7537   0.2766  542.188   70.247  386.302   80.428 155.8856 106.7862 
1 1 1  -16   18    4 o  285.649   74.092   0.4097   0.1964   0.8511   0.3362   0.1811   0.2420  406.709   91.990  221.549   84.859 185.1598 125.1530 
1 1 1  -16   18    5 o  737.419   43.212   2.5542   0.2919   2.6533   0.4803   2.4961   0.3676  738.834   71.541  724.133   55.599 14.70148 90.60576 
1 1 1  -16   18    6 o  427.197   83.556   0.9188   0.3167   1.4187   0.4269   0.3069   0.4723  529.773   90.833  292.953  116.678 236.8202 147.8659 
1 1 1  -16   18    7 o  381.869   78.883   0.7306   0.2680   0.4908   0.4425   0.8696   0.3368  322.624  116.411  412.718   91.123 -90.09399 147.8345 
1 1 1  -16   18    8 o  572.427   59.977   1.5695   0.3112   1.5078   0.5114   1.6057   0.3922  539.274  106.842  572.300   76.384 -33.02563 131.3377 
1 1 1  -16   18    9 o  540.364   85.781   1.4535   0.4123   1.2631   0.7985   1.5226   0.4814  473.557  157.083  546.679   99.358 -73.12231 185.8687 
1 1 1  -16   18   10 o  268.709   94.612   0.3259   0.2906   0.2211   0.4825   0.3855   0.3639  283.649  116.127  293.132  105.600 -9.482086 156.9609 
1 1 1  -16   18   11 o  641.137   75.202   1.9952   0.4352   1.8873   0.5572   2.1640   0.6970  610.045  102.924  642.676  122.339 -32.63074 159.8753 
1 1 1  -16   18   12 o  318.033  100.553   0.4988   0.3295   0.6500   0.5246   0.4003   0.4234  365.193  127.218  306.139  113.323 59.05392 170.3718 
1 1 1  -16   18   13 o  339.543  100.529   0.5770   0.3363   0.3432   0.4943   0.7784   0.4588  308.288  120.413  390.257  117.855 -81.96918 168.4906 
1 1 1  -16   18   14 o  677.501   65.352   2.1823   0.4024   2.6716   0.6028   1.7891   0.5404  740.068   90.399  599.108  101.651 140.9597 136.0327 
1 1 1  -16   18   15 o  335.172  105.675   0.5473   0.3641   0.7473   0.5488   0.3900   0.4866  390.513  130.261  317.472  120.638 73.04077 177.5427 
1 1 1  -16   18   16 o  753.602   61.957   2.6823   0.4258   3.2276   0.6325   2.2303   0.5759  818.192   85.267  674.643   95.428 143.5488 127.9731 
1 1 1  -16   18   17 o  796.117   63.355   2.9970   0.4603   2.5973   0.6382   3.4304   0.6645  727.219   97.853  842.439   86.968 -115.2205 130.9147 
1 1 1  -16   18   18 o  349.108  113.294   0.5958   0.4162   0.5620   0.5782   0.6321   0.5997  358.258  132.458  372.403  135.338 -14.14444 189.3718 
1 1 1  -16   18   19 o  801.806   76.021   3.0946   0.5542   2.9472   0.7218   3.3062   0.8649  767.448  104.967  803.676  120.681 -36.22803 159.9437 
1 1 1  -16   18   20 o  583.193   94.703   1.7053   0.4908   1.0302   0.6946   2.3784   0.6935  438.466  146.545  678.698  115.168 -240.2325 186.3843 
1 1 1  -16   18   21 o  343.325  116.979   0.5934   0.4427   0.3607   0.6348   0.8136   0.6176  325.923  133.290  393.690  137.986 -67.76624 191.8497 
1 1 1  -16   18   22 o  233.661  109.226  -0.3913   0.5829   0.8565   0.7819  -1.9527   0.8746  401.822  152.863  214.950  107.381 186.8717 186.8095 
1 1 1  -16   20    1 o  355.633   68.350   0.6294   0.2155   0.6811   0.2703   0.5392   0.3571  364.982   82.438  323.144  104.951 41.83820 133.4568 
1 1 1  -16   20    2 o  482.690   57.432   1.1235   0.2501   1.2910   0.3367   0.9174   0.3734  510.754   73.790  418.000   98.674 92.75452 123.2131 
1 1 1  -16   20    3 o  437.262   62.539   0.9313   0.2445   0.6498   0.3403   1.2315   0.3514  352.200  100.216  496.290   79.644 -144.0897 128.0100 
1 1 1  -16   20    4 o  853.158   45.735   3.4286   0.3577   3.3226   0.5108   3.5306   0.5011  828.568   67.591  856.369   64.057 -27.80139 93.12316 
1 1 1  -16   20    5 o  716.684   69.820   2.4954   0.4546   2.5615   0.4964   2.1522   1.1312  722.878   75.760  575.941  186.763 146.9374 201.5441 
1 1 1  -16   20    6 o  532.562   86.985   1.4259   0.4115   1.4350   0.4462   1.3743   1.0656  530.193   94.940  480.407  179.385 49.78592 202.9595 
1 1 1  -16   20    7 o  335.150   93.970   0.5758   0.3015   0.8302   0.4319   0.3340   0.4211  395.876  112.987  289.426  111.664 106.4503 158.8553 
1 1 1  -16   20    8 o  850.944   66.943   3.4806   0.5199   5.1505   1.2232   3.1124   0.5744  972.216  140.832  797.557   79.323 174.6592 161.6346 
1 1 1  -16   20    9 o  692.363   58.934   2.2839   0.3719   1.7331   0.5796   2.6695   0.4849  576.255  113.345  742.954   71.819 -166.6989 134.1831 
1 1 1  -16   20   10 o  232.894   92.989   0.1588   0.3007   0.2834   0.4807   0.0786   0.3854  293.346  117.414  240.430  101.519 52.91566 155.2159 
1 1 1  -16   20   11 o  294.386  111.183   0.3503   0.4117   0.6051   0.5203  -0.0765   0.6734  356.080  126.479  287.413  127.573 68.66721 179.6439 
1 1 1  -16   20   12 o  512.775   79.791   1.2857   0.3642   1.1728   0.6067   1.3493   0.4555  470.310  133.807  517.884   99.190 -47.57388 166.5623 
1 1 1  -16   20   13 o  376.838  102.369   0.7179   0.3642   0.4001   0.6354   0.8733   0.4444  340.499  135.421  412.968  113.461 -72.46887 176.6698 
1 1 1  -16   20   14 o  531.166   90.790   1.3920   0.4278   1.2435   0.7475   1.4644   0.5217  484.421  151.205  537.783  109.154 -53.36224 186.4877 
1 1 1  -16   20   15 o  761.039   68.291   2.7564   0.4731   2.9648   0.7869   2.6385   0.5921  767.507  114.968  735.933   89.265 31.57336 145.5534 
1 1 1  -16   20   16 o  253.648  104.175   0.1391   0.3899   0.4857   0.6384  -0.0670   0.4923  353.290  137.158  250.325  110.190 102.9649 175.9379 
1 1 1  -16   20   17 o  691.093   87.755   2.3376   0.5455   2.2478   0.8194   2.4092   0.7310  648.590  141.288  684.697  120.423 -36.10681 185.6448 
1 1 1  -16   20   18 o  683.452   89.282   2.3047   0.5481   2.7242   0.8540   2.0110   0.7146  715.838  134.598  615.360  130.265 100.4781 187.3118 
1 1 1  -16   20   19 o  539.265  130.415   1.5784   0.6401   1.9575   1.1214   1.3953   0.7795  563.271  186.121  495.409  154.369 67.86148 241.8071 
1 1 1  -16   20   20 o  299.992  114.679   0.3820   0.4414   0.5870   0.6672   0.2226   0.5886  358.522  139.934  298.899  125.790 59.62250 188.1607 
1 1 1  -16   20   21 o  184.361   88.850  -0.5790   0.4486  -0.7790   0.6530  -0.4001   0.6173  221.396  106.825  239.408  112.068 -18.01280 154.8253 
1 1 1  -16   22    1 o  633.333   51.790   1.9118   0.2992   1.8362   0.3699   2.0549   0.5088  613.781   66.553  636.184   89.389 -22.40363 111.4438 
1 1 1  -16   22    2 o  559.779   58.633   1.5095   0.2975   1.5310   0.3717   1.4711   0.4965  556.416   74.459  527.483  105.966 28.93329 129.5099 
1 1 1  -16   22    3 o  929.614   47.118   4.0782   0.4017   4.6990   0.5509   3.3734   0.5871  989.949   60.775  827.282   78.042 162.6665 98.91496 
1 1 1  -16   22    4 o  1033.27   46.158   5.0182   0.4389   5.0877   0.6141   4.9455   0.6274  1027.82   65.270  1011.53   67.801 16.29340 94.11207 
1 1 1  -16   22    5 o  155.105   71.267  -0.1485   0.2326  -0.0170   0.3413  -0.2626   0.3180  211.733   92.506  172.776   80.733 38.95717 122.7814 
1 1 1  -16   22    6 o  871.968   51.814   3.5976   0.4139   2.9809   0.6052   4.1394   0.5673  774.595   86.374  927.189   66.939 -152.5939 109.2761 
1 1 1  -16   22    7 o  233.919   96.470   0.1228   0.3360  -0.5621   0.9697   0.2162   0.3582  298.645  140.008  256.282  101.757 42.36362 173.0800 
1 1 1  -16   22    8 o  774.349   56.248   2.8450   0.3980   3.0330   0.6497   2.7320   0.5036  780.520   92.250  750.609   73.873 29.91132 118.1831 
1 1 1  -16   22    9 o  1072.39   47.881   5.3851   0.4725   5.5381   0.7848   5.2981   0.5917  1068.10   80.444  1056.29   61.140 11.80994 101.0408 
1 1 1  -16   22   10 f  647.026   95.899   2.0870   0.5537   2.4663   0.6259   0.7215   1.1875  702.258   99.649  433.468  180.270 268.7900 205.9787 
1 1 1  -16   22   11 o  456.439  136.298   1.1059   0.6162   1.2700   0.7231   0.6704   1.1778  484.574  148.299  431.082  179.426 53.49237 232.7799 
1 1 1  -16   22   12 o  1295.65   65.299   7.9534   0.7760   9.0615   1.2383   7.2370   0.9958  1357.62   99.826  1220.54   89.283 137.0892 133.9281 
1 1 1  -16   22   13 o  335.660  113.566   0.5396   0.4172   0.2848   0.7120   0.6728   0.5148  336.193  139.683  370.815  126.154 -34.62125 188.2186 
1 1 1  -16   22   14 o  417.000  103.083   0.8867   0.3933   0.3804   0.6118   1.2432   0.5134  332.593  132.694  490.083  115.704 -157.4899 176.0541 
1 1 1  -16   22   15 o  739.388   71.199   2.6239   0.4784   2.5373   0.8071   2.6708   0.5940  694.803  131.051  737.515   89.355 -42.71228 158.6155 
1 1 1  -16   22   16 f  223.998  100.338  -0.1261   0.4266   1.1003   0.6686  -0.9683   0.5540  451.504  143.290  191.223   93.631 260.2814 171.1687 
1 1 1  -16   22   17 o  503.022  107.476   1.3145   0.4824   1.6107   0.7157   1.0678   0.6530  537.880  142.370  442.019  141.746 95.86038 200.9010 
1 1 1  -16   22   18 o  313.810  117.252   0.4441   0.4554  -0.0637   0.6557   0.9171   0.6329  279.770  124.924  410.398  139.874 -130.6283 187.5382 
1 1 1  -16   22   19 o  401.311  149.753   0.8828   0.7424   1.0894   1.7223   0.8357   0.8227  457.496  203.500  398.059  155.380 59.43701 256.0377 
1 1 1  -16   22   20 o  366.337  129.133   0.7326   0.5414   1.7175   0.9147   0.2015   0.6717  513.026  168.028  302.935  131.085 210.0913 213.1123 
1 1 1  -16   24    1 f  226.748   88.226   0.1822   0.2646   0.3353   0.3276  -0.1049   0.4487  273.543   99.942  228.877  102.684 44.66582 143.2912 
1 1 1  -16   24    2 o  1232.23   44.327   7.1238   0.5026   6.8421   0.6430   7.5663   0.8058  1199.19   58.270  1250.01   70.347 -50.81470 91.34613 
1 1 1  -16   24    3 o  274.020   93.564   0.3583   0.2832   0.3486   0.3524   0.3759   0.4758  280.769  103.492  303.856  118.288 -23.08722 157.1704 
1 1 1  -16   24    4 o  196.396   83.276   0.0376   0.2611   0.1746   0.3588  -0.1165   0.3806  248.032  100.680  210.048   94.383 37.98451 138.0022 
1 1 1  -16   24    5 o  588.574   64.053   1.6694   0.3413   1.8267   0.4873   1.5178   0.4782  603.172   90.592  544.462   99.101 58.71002 134.2683 
1 1 1  -16   24    6 o  342.791   94.424   0.6007   0.3073   0.4846   0.4440   0.7075   0.4258  322.411  116.568  369.044  113.947 -46.63278 163.0089 
1 1 1  -16   24    7 o  274.619  104.352   0.2983   0.3641  -1.1611   1.0677   0.4904   0.3873  284.780  137.202  318.833  109.410 -34.05304 175.4850 
1 1 1  -16   24    8 o  682.988   65.096   2.2341   0.4042   2.7335   0.6213   1.8677   0.5321  741.847   93.059  608.858   98.335 132.9886 135.3871 
1 1 1  -16   24    9 o  822.101   93.851   3.3463   0.6972   3.9742   0.8288   1.8265   1.2894  890.441  103.063  550.888  198.725 339.5529 223.8606 
1 1 1  -16   24   10 o  211.469   92.850  -0.0479   0.3476  -0.0782   0.5909  -0.0319   0.4299  269.952  119.679  236.914  103.656 33.03836 158.3274 
1 1 1  -16   24   11 o  287.894  105.914   0.3525   0.3689   0.5541   0.6890   0.2715   0.4367  365.180  142.288  284.379  112.533 80.80096 181.4102 
1 1 1  -16   24   12 o  1150.36   55.081   6.2243   0.5830   6.4589   0.9449   6.0801   0.7409  1148.09   90.170  1126.34   71.860 21.74512 115.3016 
1 1 1  -16   24   13 o  285.819  109.007   0.3215   0.3982  -0.1792   0.6544   0.6159   0.5019  272.669  123.021  355.387  124.394 -82.71732 174.9515 
1 1 1  -16   24   14 o  450.076  110.046   1.0598   0.4519   0.5008   0.7150   1.4316   0.5832  357.582  143.178  517.333  124.105 -159.7508 189.4785 
1 1 1  -16   24   15 o  506.786  115.036   1.3620   0.5242   1.9104   0.7546   0.8507   0.7286  584.464  141.768  405.116  148.886 179.3475 205.5853 
1 1 1  -16   24   16 o  197.406   95.866  -0.7944   0.5479  -0.5707   0.5909  -2.1655   1.4630  222.588  105.827  296.751  146.626 -74.16360 180.8270 
1 1 1  -16   24   17 o  680.459  123.240   2.5332   0.7432   2.9056   0.8420   1.2196   1.5816  721.969  131.594  459.912  200.076 262.0565 239.4725 
1 1 1  -16   24   18 o  261.702  121.420  -0.2863   0.6993  -1.6693   1.5548   0.0645   0.7830  311.772  153.492  304.275  136.140 7.496887 205.1682 
1 1 1  -16   24   19 o  641.696  103.189   2.2034   0.5886   2.7474   0.9781   1.8944   0.7371  651.120  163.485  557.654  142.971 93.46613 217.1823 
1 1 1  -16   26    1 o  351.252  102.993   0.6446   0.3545   0.7184   0.4404   0.5091   0.5972  368.254  116.239  339.653  132.439 28.60043 176.2146 
1 1 1  -16   26    2 o  1389.57   50.780   9.1050   0.6493   8.8694   0.8554   9.4252   0.9973  1356.31   68.768  1388.88   78.353 -32.56714 104.2508 
1 1 1  -16   26    3 o  478.475   81.634   1.1442   0.3465   1.0196   0.4361   1.3574   0.5706  439.159  108.551  499.109  124.626 -59.95084 165.2724 
1 1 1  -16   26    4 o  394.206   96.547   0.8034   0.3474   0.4430   0.4602   1.2811   0.5298  315.020  117.839  488.490  118.964 -173.4702 167.4469 
1 1 1  -16   26    5 o  612.289   75.491   1.8348   0.4163   2.0305   0.6181   1.6722   0.5633  623.978  111.750  564.628  112.365 59.34937 158.4739 
1 1 1  -16   26    6 o  258.620  108.891   0.1190   0.4414   0.0000   0.0000   0.1190   0.4414  ?   ?   258.620  108.891 0.000000 108.8913 
1 1 1  -16   26    7 o  504.332   89.298   1.2794   0.3992   1.0207   0.5901   1.4977   0.5422  433.372  134.194  533.741  113.862 -100.3687 175.9908 
1 1 1  -16   26    8 o  230.209   96.341   0.0900   0.3422  -0.1600   0.5058   0.3011   0.4647  239.491  108.095  292.052  115.917 -52.56035 158.4965 
1 1 1  -16   26    9 o  821.313   89.579   3.3460   0.6660   3.6384   0.7518   2.2793   1.4358  851.079   97.771  585.507  209.872 265.5721 231.5283 
1 1 1  -16   26   10 o  244.050  100.567   0.1388   0.3648  -0.1040   0.5275   0.3614   0.5051  250.391  111.908  308.071  121.301 -57.67995 165.0371 
1 1 1  -16   26   11 o  410.115  110.658   0.8885   0.4272   0.7222   0.6274   1.0322   0.5834  379.110  138.336  434.322  133.256 -55.21194 192.0786 
1 1 1  -16   26   12 o  795.098   74.488   3.0831   0.5386   2.8723   0.8479   3.2257   0.6974  726.390  131.698  798.393   96.920 -72.00299 163.5171 
1 1 1  -16   26   13 o  424.938  107.347   0.9604   0.4199   1.5930   0.6329   0.4629   0.5612  535.453  129.796  327.988  128.245 207.4649 182.4657 
1 1 1  -16   26   14 o  229.704  101.961  -0.0507   0.4302  -0.1659   0.6319   0.0487   0.5873  262.246  119.337  275.149  120.753 -12.90274 169.7720 
1 1 1  -16   26   15 o  959.199   76.040   4.5542   0.6656   5.0290   1.0007   4.1773   0.8915  967.070  114.692  883.502  112.184 83.56824 160.4354 
1 1 1  -16   26   16 o  517.723  111.919   1.4803   0.5176   1.1899   0.7949   1.6940   0.6821  433.738  156.085  531.566  138.168 -97.82828 208.4542 
1 1 1  -16   26   17 o  450.987  125.479   1.1991   0.5397   0.9824   0.8692   1.3351   0.6886  398.511  158.418  458.854  145.396 -60.34320 215.0263 
1 1 1  -16   28    1 o  416.987  104.035   0.9331   0.3979   0.6645   0.4755   1.5602   0.7265  352.894  121.221  509.928  146.862 -157.0345 190.4284 
1 1 1  -16   28    2 o  281.490  105.145   0.3545   0.3661   0.1626   0.4320   0.8441   0.6901  258.877  108.284  392.111  144.764 -133.2333 180.7813 
1 1 1  -16   28    3 o  356.630   99.055   0.6705   0.3367   0.7982   0.3995   0.3577   0.6253  385.431  108.210  318.361  131.474 67.07074 170.2781 
1 1 1  -16   28    4 o  634.686  106.669   2.1176   0.6009   2.6921   1.3139   1.9656   0.6757  615.882  201.361  595.776  127.122 20.10681 238.1306 
1 1 1  -16   28    5 o  397.850  130.011   0.8729   0.5478   2.8296   1.5170   0.5795   0.5874  611.526  216.092  347.345  132.408 264.1816 253.4320 
1 1 1  -16   28    6 o  362.818  108.612   0.6996   0.3909   0.3114   0.5114   1.2452   0.6064  296.829  120.295  468.329  133.955 -171.4997 180.0416 
1 1 1  -16   28    7 o  348.540  109.014   0.6402   0.3883   1.0311   0.5746   0.3117   0.5268  428.188  132.395  299.135  121.775 129.0530 179.8818 
1 1 1  -16   28    8 o  661.277  110.096   2.3130   0.6464   2.3457   0.7211   2.1790   1.4584  654.809  124.215  545.554  208.478 109.2555 242.6772 
1 1 1  -16   28    9 o  1230.99   77.622   7.4655   0.8747   7.3234   0.9771   8.0395   1.9633  1207.28   88.572  1094.90  202.324 112.3835 220.8621 
1 1 1  -16   28   10 f  203.975   93.118  -0.1686   0.3886   0.7066   0.6044  -0.7855   0.5074  366.011  135.410  186.063   90.781 179.9484 163.0246 
1 1 1  -16   28   11 o  700.675   86.829   2.4950   0.5478   2.4790   0.7410   2.5142   0.8136  666.367  125.445  658.313  138.689 8.053162 187.0062 
1 1 1  -16   28   12 o  317.914  120.634   0.4940   0.4862  -0.2280   0.6496   1.4131   0.7329  256.109  118.189  476.083  149.910 -219.9738 190.8972 
1 1 1  -16   28   13 o  740.762   87.804   2.8284   0.5868   3.2094   0.8611   2.4981   0.8019  745.453  130.276  646.453  138.945 99.00067 190.4673 
1 1 1  -16   28   14 o  177.239   85.968  -0.5868   0.4370  -0.8434   0.6732  -0.3998   0.5745  215.917  105.174  223.738  105.778 -7.820465 149.1659 
1 1 1  -16   28   15 o  594.187  101.355   1.9306   0.5343   1.4428   0.8132   2.3012   0.7087  453.997  158.374  621.442  128.195 -167.4453 203.7553 
1 1 1  -16   30    1 o  229.364  102.139  -0.0111   0.4351   0.3381   0.5302  -0.7317   0.7616  291.473  120.775  237.387  114.742 54.08553 166.5905 
1 1 1  -16   30    2 o  464.751  113.422   1.2295   0.4808   0.5828   0.5620   2.9934   0.9282  332.233  128.776  687.987  150.783 -355.7534 198.2896 
1 1 1  -16   30    3 o  352.691  142.369   0.6594   0.7133   1.8272   1.4131   0.2603   0.8262  470.421  196.232  319.084  141.486 151.3375 241.9195 
1 1 1  -16   30    4 o  348.404  113.672   0.6783   0.4188   0.4023   0.4820   1.5280   0.8458  298.266  118.162  474.258  161.697 -175.9922 200.2700 
1 1 1  -16   30    5 o  516.194   99.981   1.4369   0.4577   1.4467   0.5538   1.4158   0.8132  500.619  121.458  460.642  158.512 39.97720 199.6950 
1 1 1  -16   30    6 o  557.107  104.030   1.6881   0.5137   1.3949   0.6196   2.3328   0.9186  479.117  134.844  590.146  163.524 -111.0296 211.9504 
1 1 1  -16   30    7 o  307.066  126.964   0.3893   0.5841   0.3893   0.5841   0.0000   0.0000  307.066  126.964  ?   ?  0.000000 126.9639 
1 1 1  -16   30    8 o  223.243  100.473  -0.0660   0.4333   0.5518   0.5913  -0.7829   0.6369  329.497  130.764  212.072  103.075 117.4255 166.5041 
1 1 1  -16   30    9 o  454.487  122.453   1.2224   0.5236   2.0334   0.7244   0.3350   0.7578  573.426  138.787  316.182  137.999 257.2437 195.7184 
1 1 1  -16   30   10 o  569.367  104.483   1.7949   0.5272   1.7806   0.7380   1.8098   0.7534  520.670  147.390  522.786  149.244 -2.115784 209.7557 
1 1 1  -16   30   11 o  348.282  123.684   0.7194   0.4976   1.2675   0.7583   0.3050   0.6594  426.613  152.563  297.843  129.378 128.7703 200.0353 
1 1 1  -16   30   12 o  289.266  118.189   0.3861   0.4985   0.0703   0.7725   0.6115   0.6527  286.175  130.889  331.320  135.284 -45.14508 188.2387 
1 1 1  -16   30   13 o  1099.78  109.721   6.9106   1.0955   0.0000   0.0000   6.9106   1.0955  ?   ?   1099.78  109.721 0.000000 109.7213 
1 1 1  -16   32    1 o  558.916  150.733   2.3079   0.7930   3.4441   1.6856   1.9850   0.8986  478.381  207.328  477.424  166.492 0.9564819 265.9032 
1 1 1  -16   32    2 o  273.205  113.793   0.3484   0.4742  -0.0550   0.5879   1.0997   0.8023  242.777  112.175  376.333  151.314 -133.5560 188.3587 
1 1 1  -16   32    3 o  215.183   97.746  -0.0438   0.4215  -0.3649   0.4906   0.8621   0.8239  200.488   95.628  350.958  148.320 -150.4699 176.4758 
1 1 1  -16   32    4 o  655.105   88.593   2.3380   0.5203   2.0654   0.6251   2.9529   0.9389  577.532  121.483  628.575  161.470 -51.04279 202.0662 
1 1 1  -16   32    5 o  308.227  123.023   0.5447   0.5261   0.7017   0.5606  -0.6135   1.5228  333.306  128.775  304.357  150.235 28.94891 197.8728 
1 1 1  -16   32    6 o  274.257  119.135   0.2766   0.5591   0.3634   0.5882  -0.5381   1.8018  287.341  123.493  319.495  158.712 -32.15332 201.0974 
1 1 1  -16   32    7 o  246.958  109.677   0.1126   0.4984   0.3012   0.6662  -0.1271   0.7511  286.958  127.153  260.787  122.565 26.17148 176.6071 
1 1 1  -16   32    8 o  519.193  123.955   1.7132   0.5840   0.8054   0.7921   2.7941   0.8644  344.154  145.440  624.714  151.853 -280.5599 210.2665 
1 1 1  -16   32    9 o  192.278   92.818  -0.4815   0.4943  -1.1595   0.6805   0.2757   0.7192  193.904   96.523  287.133  129.311 -93.22842 161.3629 
1 1 1  -16   32   10 o  298.804  149.908  -1.1479   1.7914  -1.1479   1.7914   0.0000   0.0000  298.804  149.908  ?   ?  0.000000 149.9082 
1 1 1  -16   32   11 o  279.450  141.450  -2.1068   1.8034  -2.1068   1.8034   0.0000   0.0000  279.450  141.450  ?   ?  0.000000 141.4503 
1 1 1  -16   34    1 o  270.562  137.660  -0.9887   1.8665   0.0000   0.0000  -0.9887   1.8665  ?   ?   270.562  137.660 0.000000 137.6599 
1 1 1  -16   34    2 o  308.799  155.340   0.8908   1.9898   0.0000   0.0000   0.8908   1.9898  ?   ?   308.799  155.340 0.000000 155.3403 
1 1 1  -16   34    3 o  291.819  146.939  -0.0573   1.8040   0.0000   0.0000  -0.0573   1.8040  ?   ?   291.819  146.939 0.000000 146.9392 
1 1 1  -16   34    4 o  428.905  202.865   5.0788   2.1175   0.0000   0.0000   5.0788   2.1175  ?   ?   428.905  202.865 0.000000 202.8655 
1 1 1  -16   34    5 o  240.242  123.092  -3.3255   1.7371   0.0000   0.0000  -3.3255   1.7371  ?   ?   240.242  123.092 0.000000 123.0923 
1 1 1  -16   34    6 o  319.183  157.383   0.8712   1.6556   0.8712   1.6556   0.0000   0.0000  319.183  157.383  ?   ?  0.000000 157.3830 
1 1 1  -15    1    1 o  2257.33   32.342   23.473   0.6718   22.390   0.9301   24.654   0.9714  2203.25   45.876  2312.02   45.658 -108.7705 64.72494 
1 1 1  -15    1    2 o  1211.76   35.256   6.7653   0.3931   6.8524   0.5609   6.6812   0.5511  1218.66   50.018  1203.36   49.774 15.29688 70.56391 
1 1 1  -15    1    3 o  2124.88   32.876   20.798   0.6428   21.521   0.9264   20.127   0.8927  2160.19   46.603  2089.05   46.439 71.13843 65.79121 
1 1 1  -15    1    4 o  1492.41   35.229   10.262   0.4838   9.9070   0.6753   10.635   0.6934  1465.37   50.083  1518.32   49.632 -52.95105 70.50987 
1 1 1  -15    1    5 o  1276.38   37.326   7.5074   0.4384   7.7575   0.6221   7.2608   0.6179  1296.47   52.147  1254.17   53.541 42.29822 74.73898 
1 1 1  -15    1    6 o  1051.19   40.742   5.0945   0.3941   4.9461   0.5600   5.2402   0.5547  1032.91   59.165  1063.57   56.885 -30.65601 82.07580 
1 1 1  -15    1    7 o  1370.10   46.139   8.6638   0.5817   9.1456   1.0187   8.4307   0.7086  1401.19   79.335  1350.42   57.022 50.76807 97.70124 
1 1 1  -15    1    8 o  2205.82   54.966   22.511   1.1156   23.475   1.6182   21.638   1.5402  2246.11   78.297  2156.69   77.610 89.41968 110.2440 
1 1 1  -15    1    9 o  1064.74   46.311   5.2425   0.4537   5.3794   0.6422   5.1062   0.6411  1073.93   65.301  1045.84   66.969 28.09204 93.53671 
1 1 1  -15    1   10 o  686.210   58.401   2.2044   0.3653   2.0742   0.5147   2.3364   0.5184  658.540   87.081  700.989   81.908 -42.44885 119.5496 
1 1 1  -15    1   11 o  352.665  113.393   0.5903   0.4177   0.1161   0.5819   1.0942   0.5999  298.613  125.339  466.118  133.204 -167.5050 182.9020 
1 1 1  -15    1   12 o  804.877   50.535   3.0252   0.3724   3.9940   0.6482   2.5479   0.4549  916.748   77.565  733.817   68.153 182.9305 103.2531 
1 1 1  -15    1   13 o  700.253   59.094   2.3113   0.3772   2.2930   0.6068   2.3227   0.4816  683.054   99.464  696.530   76.390 -13.47565 125.4136 
1 1 1  -15    1   14 o  244.101   89.093   0.2406   0.2603  -0.0477   0.3595   0.5581   0.3773  216.704   94.805  338.203  107.668 -121.4988 143.4586 
1 1 1  -15    1   15 o  1526.94   41.002   10.834   0.5761   10.274   0.7960   11.449   0.8348  1479.49   58.470  1562.00   58.083 -82.51050 82.41621 
1 1 1  -15    1   16 o  698.491   51.662   2.2914   0.3297   2.4622   0.4385   2.0694   0.5000  719.328   67.023  652.157   85.374 67.17035 108.5397 
1 1 1  -15    1   17 o  1523.14   39.639   10.767   0.5556   11.134   0.7467   10.312   0.8314  1543.80   52.566  1481.85   60.974 61.95215 80.50499 
1 1 1  -15    1   18 o  206.426   86.070   0.0562   0.2717  -0.2847   0.3400   0.6585   0.4519  180.884   84.172  366.702  117.954 -185.8179 144.9075 
1 1 1  -15    1   19 o  877.251   52.368   3.5979   0.4208   3.2099   0.5439   4.1765   0.6642  822.320   72.624  936.783   77.755 -114.4636 106.3959 
1 1 1  -15    1   20 o  857.842   72.320   3.4798   0.5655   3.8827   0.7922   3.0610   0.8076  896.962   97.552  788.174  114.728 108.7878 150.5951 
1 1 1  -15    1   21 o  1344.84   44.090   8.3836   0.5456   8.2297   0.7611   8.5462   0.7825  1327.51   62.310  1352.62   62.870 -25.10767 88.51685 
1 1 1  -15    1   22 o  249.242   98.489   0.1779   0.3341   0.2339   0.4550   0.1123   0.4922  287.380  114.496  277.027  115.706 10.35345 162.7794 
1 1 1  -15    1   23 o  555.936  107.541   1.5422   0.5302   1.7196   0.7598   1.3738   0.7403  573.535  144.144  512.918  148.396 60.61713 206.8785 
1 1 1  -15    1   24 o  538.316   87.646   1.4217   0.4192   1.2205   0.5801   1.6416   0.6064  484.269  128.183  565.713  120.206 -81.44385 175.7282 
1 1 1  -15    1   25 o  376.935  112.371   0.7272   0.4191   1.1977   0.6303   0.3542   0.5611  472.500  136.989  319.652  127.220 152.8478 186.9520 
1 1 1  -15    1   26 o  315.346  118.400   0.4309   0.4655   1.2018   0.7869   0.0161   0.5773  464.261  155.977  275.387  120.314 188.8737 196.9883 
1 1 1  -15    3    1 o  1943.27   32.550   17.397   0.5820   17.899   0.8406   16.934   0.8067  1969.78   46.376  1916.04   45.758 53.74573 65.14950 
1 1 1  -15    3    2 o  1150.30   34.936   6.0966   0.3698   6.7967   0.5451   5.4998   0.5033  1213.72   48.812  1091.72   50.098 122.0013 69.94576 
1 1 1  -15    3    3 o  3381.97   31.815   52.685   0.9901   51.664   1.3905   53.735   1.4101  3347.02   45.147  3413.51   44.892 -66.48291 63.66778 
1 1 1  -15    3    4 o  2249.89   33.223   23.320   0.6878   23.936   0.9990   22.764   0.9484  2277.87   47.661  2221.55   46.395 56.32495 66.51310 
1 1 1  -15    3    5 o  1914.60   34.905   16.890   0.6149   17.118   0.8812   16.675   0.8585  1925.97   49.725  1900.95   49.081 25.02100 69.86772 
1 1 1  -15    3    6 o  1104.09   46.229   5.6249   0.4697   5.2129   0.7717   5.8673   0.5919  1056.88   79.940  1125.30   57.355 -68.41321 98.38715 
1 1 1  -15    3    7 o  1341.01   46.062   8.3023   0.5684   9.0942   1.0029   7.9276   0.6899  1396.82   78.346  1309.17   57.267 87.65601 97.04485 
1 1 1  -15    3    8 o  605.186   58.565   1.7123   0.3221   1.3980   0.4424   2.0666   0.4697  539.352   92.476  661.564   78.702 -122.2114 121.4326 
1 1 1  -15    3    9 o  1866.42   48.036   16.123   0.8250   16.368   1.0103   15.633   1.4292  1877.86   58.468  1826.31   85.045 51.54749 103.2048 
1 1 1  -15    3   10 o  840.897   51.263   3.2927   0.3948   2.9684   0.5710   3.5896   0.5464  791.495   79.478  874.151   68.471 -82.65552 104.9047 
1 1 1  -15    3   11 f  625.002   58.997   1.8365   0.3353   2.3905   0.5498   1.5086   0.4230  706.030   86.436  559.198   84.881 146.8315 121.1447 
1 1 1  -15    3   12 o  738.237   72.201   2.5893   0.4842   2.6157   0.8174   2.5750   0.6010  719.059  128.237  729.331   91.568 -10.27234 157.5734 
1 1 1  -15    3   13 o  190.159   80.615   0.0200   0.2446   0.1607   0.3417  -0.1279   0.3503  246.482   98.874  203.169   90.973 43.31281 134.3578 
1 1 1  -15    3   14 o  1027.18   43.872   4.9081   0.4147   4.6512   0.5827   5.1716   0.5902  991.855   64.188  1047.19   61.525 -55.33643 88.91235 
1 1 1  -15    3   15 o  1076.17   42.229   5.3852   0.4182   6.0368   0.5666   4.6054   0.6198  1135.55   54.223  984.445   68.853 151.1022 87.64072 
1 1 1  -15    3   16 o  1133.27   42.068   5.9699   0.4387   6.0693   0.5810   5.8382   0.6691  1138.36   55.467  1110.72   65.755 27.63684 86.02480 
1 1 1  -15    3   17 o  370.409   89.460   0.6843   0.3015   0.3881   0.3940   1.1025   0.4682  302.026  109.714  465.212  110.941 -163.1863 156.0287 
1 1 1  -15    3   18 o  447.853   78.206   0.9771   0.3106   0.6947   0.3894   1.4707   0.5148  372.609  107.574  541.310  107.146 -168.7012 151.8305 
1 1 1  -15    3   19 o  702.503   59.647   2.3235   0.3819   2.3036   0.4967   2.3522   0.5974  693.525   79.256  694.724   96.017 -1.198730 124.5020 
1 1 1  -15    3   20 o  1045.01   55.782   5.1010   0.5344   5.1986   0.7386   4.9938   0.7743  1047.89   77.145  1024.74   82.823 23.14575 113.1856 
1 1 1  -15    3   21 o  1456.03   47.477   9.8397   0.6361   9.8094   0.8464   9.8791   0.9642  1448.81   63.491  1450.64   72.232 -1.833740 96.16924 
1 1 1  -15    3   22 o  354.289  106.733   0.6134   0.3766   0.9240   0.4993   0.2035   0.5737  428.762  121.188  307.298  126.309 121.4636 175.0448 
1 1 1  -15    3   23 o  1848.03   72.676   16.111   1.2358   17.836   1.5652   13.255   2.0139  1933.36   87.982  1622.56  136.144 310.7983 162.0991 
1 1 1  -15    3   24 o  901.297   59.385   3.8292   0.4897   3.7301   0.6942   3.9274   0.6910  877.588   87.115  902.132   84.221 -24.54364 121.1701 
1 1 1  -15    3   25 o  462.827  103.839   1.0972   0.4313   1.4706   0.6074   0.7174   0.6126  526.550  126.869  383.568  137.132 142.9814 186.8177 
1 1 1  -15    3   26 o  591.348  148.709   1.9694   0.8084   1.8247   1.4803   2.0308   0.9650  538.933  208.960  585.272  169.453 -46.33936 269.0330 
1 1 1  -15    5    1 f  1934.85   38.572   17.260   0.6867   14.861   1.2471   18.304   0.8227  1790.10   75.709  1991.76   44.889 -201.6680 88.01622 
1 1 1  -15    5    2 o  841.923   45.190   3.2794   0.3488   3.9559   0.7337   3.0819   0.3965  918.479   87.888  815.204   53.146 103.2752 102.7074 
1 1 1  -15    5    3 o  1834.43   46.411   15.526   0.7834   0.0000   0.0000   15.526   0.7834  ?   ?   1834.43   46.411 0.000000 46.41060 
1 1 1  -15    5    4 o  1619.17   39.148   12.087   0.5833   11.572   0.9651   12.383   0.7321  1581.24   66.330  1637.99   48.572 -56.74316 82.21242 
1 1 1  -15    5    5 o  2191.48   39.597   22.146   0.7985   23.101   1.3878   21.674   0.9762  2233.37   67.531  2166.67   48.966 66.70337 83.41542 
1 1 1  -15    5    6 o  1239.63   39.546   7.0883   0.4511   7.8244   0.6618   6.4497   0.6165  1300.80   55.292  1180.85   56.734 119.9442 79.22114 
1 1 1  -15    5    7 o  1534.07   39.402   10.861   0.5562   11.188   0.7951   10.547   0.7783  1554.70   55.581  1509.38   56.037 45.31860 78.92652 
1 1 1  -15    5    8 o  1681.34   35.675   13.047   0.5519   12.022   0.8548   13.779   0.7228  1609.95   57.704  1726.23   45.502 -116.2814 73.48577 
1 1 1  -15    5    9 o  442.276   80.393   0.9444   0.3151   1.4547   0.4278   0.3392   0.4659  549.652   87.521  309.961  117.982 239.6916 146.9004 
1 1 1  -15    5   10 o  1281.48   40.203   7.5994   0.4741   8.0232   0.7701   7.3407   0.6016  1310.98   63.838  1257.04   52.007 53.94373 82.34090 
1 1 1  -15    5   11 o  1332.78   37.605   8.2213   0.4612   8.3019   0.6596   8.1443   0.6451  1335.18   53.687  1322.64   53.003 12.53711 75.44269 
1 1 1  -15    5   12 o  1114.21   50.015   5.7820   0.5128   5.6827   0.7074   5.8920   0.7444  1095.95   70.518  1114.96   72.963 -19.00806 101.4709 
1 1 1  -15    5   13 o  344.720   82.938   0.5892   0.2599   0.7052   0.3552   0.4555   0.3812  374.544  100.835  314.917  108.516 59.62704 148.1332 
1 1 1  -15    5   14 o  839.040   49.046   3.2962   0.3770   2.5523   0.5067   4.2186   0.5643  728.505   76.746  943.487   65.397 -214.9823 100.8304 
1 1 1  -15    5   15 o  462.561   76.575   1.0433   0.3145   1.4313   0.4290   0.5924   0.4625  538.586   89.724  351.461  119.568 187.1251 149.4886 
1 1 1  -15    5   16 o  625.953   61.756   1.8596   0.3511   1.6252   0.4819   2.1247   0.5125  573.041   94.699  660.384   86.408 -87.34296 128.1960 
1 1 1  -15    5   17 o  1012.09   44.887   4.7658   0.4180   5.0000   0.5635   4.4789   0.6235  1030.66   59.668  971.047   70.249 59.61267 92.16908 
1 1 1  -15    5   18 o  179.358   80.722  -0.1230   0.2797  -0.1066   0.3648  -0.1463   0.4358  210.647   93.679  226.937  101.549 -16.28975 138.1593 
1 1 1  -15    5   19 o  491.531   77.268   1.1667   0.3379   0.7771   0.4342   1.7655   0.5383  394.378  113.515  598.583  101.345 -204.2049 152.1719 
1 1 1  -15    5   20 o  799.697   63.524   3.0079   0.4636   3.1507   0.6438   2.8540   0.6681  810.815   87.686  767.960   96.690 42.85547 130.5291 
1 1 1  -15    5   21 o  635.746   68.921   1.9156   0.3967   1.7804   0.5009   2.1433   0.6499  605.472   92.865  658.716  111.180 -53.24347 144.8617 
1 1 1  -15    5   22 o  606.269   90.426   1.7847   0.4890   3.0022   0.6827   0.5018   0.7008  787.016   96.281  370.042  143.696 416.9739 172.9700 
1 1 1  -15    5   23 o  522.364  109.358   1.3735   0.5088   1.4092   0.6260   1.3042   0.8733  521.816  130.661  499.734  164.207 22.08194 209.8481 
1 1 1  -15    5   24 o  536.367   93.351   1.4275   0.4440   1.4574   0.5886   1.3881   0.6762  529.596  123.125  510.503  139.837 19.09250 186.3172 
1 1 1  -15    5   25 o  440.215  110.406   1.0079   0.4464   0.5947   0.5754   1.6326   0.7076  358.428  132.219  546.855  140.010 -188.4268 192.5744 
1 1 1  -15    5   26 o  647.152  217.730   2.8976   1.5334   2.8976   1.5334   0.0000   0.0000  647.152  217.730  ?   ?  0.000000 217.7295 
1 1 1  -15    7    1 o  973.871   37.294   4.3747   0.3342   4.9158   0.5451   4.0488   0.4230  1028.90   57.808  934.708   49.361 94.18976 76.01458 
1 1 1  -15    7    2 o  1358.58   36.632   8.5117   0.4579   7.9522   0.7179   8.8957   0.5947  1310.66   59.522  1387.89   46.564 -77.22717 75.57172 
1 1 1  -15    7    3 o  1960.13   33.195   17.710   0.5987   18.153   0.8705   17.313   0.8248  1982.45   47.720  1936.28   46.293 46.17053 66.48464 
1 1 1  -15    7    4 o  2440.95   33.597   27.468   0.7546   29.477   1.1209   25.802   1.0205  2525.97   48.224  2363.53   46.924 162.4380 67.28652 
1 1 1  -15    7    5 f  644.254   40.767   1.9234   0.2404   1.9515   0.3979   1.9073   0.3017  644.875   68.086  640.142   51.667 4.732727 85.47048 
1 1 1  -15    7    6 o  909.206   41.755   3.8179   0.3493   3.8699   0.7704   3.8045   0.3919  903.771   94.018  905.912   47.182 -2.141357 105.1924 
1 1 1  -15    7    7 o  1172.79   41.463   6.3564   0.4474   7.5748   1.0263   6.0705   0.4972  1267.38   88.562  1145.36   47.175 122.0137 100.3431 
1 1 1  -15    7    8 o  143.419   65.971  -0.1485   0.2001  -0.4024   0.2749   0.1380   0.2919  145.642   70.028  230.860   91.796 -85.21791 115.4574 
1 1 1  -15    7    9 o  1078.28   46.798   5.3918   0.4643   6.2034   0.6945   4.7358   0.6244  1150.36   65.884  1003.99   67.988 146.3665 94.67288 
1 1 1  -15    7   10 o  1193.72   37.556   6.5945   0.4125   7.0884   0.5959   6.1398   0.5717  1234.19   52.469  1148.23   54.107 85.96167 75.36987 
1 1 1  -15    7   11 o  326.635   81.580   0.5259   0.2445   1.1113   0.3521  -0.0189   0.3397  477.324   83.194  215.645   93.266 261.6788 124.9786 
1 1 1  -15    7   12 o  620.254   67.693   1.8341   0.3801   1.5354   0.4985   2.2487   0.5874  554.954  101.354  676.056   97.221 -121.1021 140.4443 
1 1 1  -15    7   13 o  1199.60   41.353   6.6885   0.4565   7.2710   0.6578   6.1475   0.6339  1244.91   57.427  1141.98   60.542 102.9277 83.44543 
1 1 1  -15    7   14 o  682.985   55.413   2.2008   0.3452   2.0053   0.4859   2.4000   0.4906  641.349   84.387  705.674   76.798 -64.32574 114.1012 
1 1 1  -15    7   15 o  434.838   80.430   0.9300   0.3100   0.3962   0.4264   1.5283   0.4514  307.511  113.740  556.053   91.401 -248.5427 145.9139 
1 1 1  -15    7   16 o  279.327   94.931   0.3574   0.2915   0.0639   0.3997   0.6911   0.4261  244.251  103.272  371.100  113.891 -126.8484 153.7410 
1 1 1  -15    7   17 o  957.131   51.337   4.2886   0.4505   3.7455   0.6097   4.9413   0.6685  885.343   75.571  1019.49   71.714 -134.1509 104.1818 
1 1 1  -15    7   18 o  243.727   95.372   0.1854   0.3105   0.1579   0.4305   0.2151   0.4484  267.861  109.682  281.138  113.091 -13.27682 157.5431 
1 1 1  -15    7   19 f  681.391   66.184   2.1964   0.4097   1.7132   0.5609   2.7495   0.6000  587.454  107.725  755.769   87.925 -168.3148 139.0523 
1 1 1  -15    7   20 o  474.544   86.141   1.0974   0.3623   1.2053   0.4731   0.9443   0.5634  491.679  107.560  434.275  130.467 57.40326 169.0875 
1 1 1  -15    7   21 o  1459.97   48.055   9.9010   0.6456   10.148   0.8662   9.5930   0.9683  1472.64   63.920  1425.98   74.052 46.66174 97.82375 
1 1 1  -15    7   22 o  819.984   77.059   3.2033   0.5746   2.6685   0.7565   3.9325   0.8834  731.883  116.220  894.626  109.602 -162.7430 159.7484 
1 1 1  -15    7   23 o  662.162   99.956   2.1652   0.5901   2.5425   0.7449   1.5295   0.9668  709.612  118.244  531.865  172.669 177.7466 209.2760 
1 1 1  -15    7   24 o  434.883  109.541   0.9728   0.4381   0.4864   0.5584   1.7517   0.7066  341.134  129.326  573.258  136.005 -232.1233 187.6774 
1 1 1  -15    7   25 o  267.288  109.937   0.1782   0.4350   0.2193   0.5685   0.1203   0.6755  299.246  124.616  306.189  131.972 -6.943542 181.5098 
1 1 1  -15    9    1 o  940.357   42.497   4.0882   0.3677   4.5662   0.4248   2.6593   0.7344  993.341   46.474  740.661  111.199 252.6805 120.5201 
1 1 1  -15    9    2 o  1064.83   34.159   5.2322   0.3347   5.0291   0.4752   5.4321   0.4714  1042.25   49.554  1083.51   47.286 -41.25928 68.49488 
1 1 1  -15    9    3 o  868.603   32.854   3.4807   0.2626   2.9642   0.4310   3.7856   0.3312  797.008   59.189  905.281   39.754 -108.2734 71.29977 
1 1 1  -15    9    4 o  509.810   43.516   1.2103   0.2022   1.3931   0.3556   1.1230   0.2458  541.797   73.203  489.008   55.608 52.78876 91.92870 
1 1 1  -15    9    5 o  1026.04   37.634   4.8628   0.3553   4.3940   0.5301   5.2451   0.4788  970.652   59.643  1064.16   48.893 -93.50586 77.12215 
1 1 1  -15    9    6 o  646.702   40.451   1.9414   0.2395   1.8092   0.3201   2.1097   0.3610  621.488   56.592  671.004   59.070 -49.51575 81.80411 
1 1 1  -15    9    7 o  569.394   46.799   1.5131   0.2430   1.7350   0.3355   1.2679   0.3526  607.217   60.858  514.329   76.852 92.88794 98.03011 
1 1 1  -15    9    8 o  789.997   39.500   2.8890   0.2871   3.0542   0.4124   2.7335   0.4000  807.976   55.810  763.811   57.335 44.16522 80.01296 
1 1 1  -15    9    9 o  722.365   55.276   2.4467   0.3646   2.9415   0.5469   2.0507   0.4893  786.048   76.580  652.923   83.334 133.1250 113.1770 
1 1 1  -15    9   10 o  586.279   52.569   1.6156   0.2806   1.4856   0.3876   1.7586   0.4067  554.935   78.065  605.721   74.540 -50.78583 107.9369 
1 1 1  -15    9   11 o  228.013   89.715   0.1562   0.2761   0.1569   0.7113   0.1561   0.2996  323.606  137.344  234.283   93.049 89.32315 165.8958 
1 1 1  -15    9   12 o  915.414   66.350   3.9781   0.5551   4.7280   0.9818   3.6258   0.6730  972.362  111.768  864.871   85.691 107.4907 140.8368 
1 1 1  -15    9   13 o  272.241   91.094   0.3447   0.2684  -0.0614   0.3677   0.8076   0.3926  216.414   95.248  397.757  105.536 -181.3425 142.1623 
1 1 1  -15    9   14 o  871.621   48.458   3.5587   0.3871   3.6126   0.5446   3.5037   0.5504  870.575   68.537  856.432   70.464 14.14319 98.29819 
1 1 1  -15    9   15 o  794.204   55.329   2.9710   0.4018   2.3399   0.5498   3.6946   0.5887  691.698   88.402  878.653   73.489 -186.9542 114.9593 
1 1 1  -15    9   16 o  463.766   84.444   1.0596   0.3471   1.6886   0.5140   0.5324   0.4706  582.112   99.540  340.419  120.344 241.6938 156.1762 
1 1 1  -15    9   17 o  647.368   68.840   1.9990   0.4038   2.4653   0.5812   1.5639   0.5614  710.984   90.915  554.940  113.764 156.0431 145.6289 
1 1 1  -15    9   18 o  663.551   69.716   2.0949   0.4193   1.9622   0.5855   2.2347   0.6007  629.254  104.815  674.490   99.803 -45.23615 144.7300 
1 1 1  -15    9   19 o  540.885   90.226   1.4264   0.4332   3.0381   0.7568   0.6408   0.5284  787.190  107.276  371.647  127.776 415.5424 166.8376 
1 1 1  -15    9   20 o  631.528   82.777   1.9166   0.4694   1.5794   0.5888   2.5050   0.7778  560.552  117.888  706.945  124.089 -146.3931 171.1595 
1 1 1  -15    9   21 o  847.663   61.480   3.3780   0.4763   3.5034   0.6367   3.2187   0.7177  856.443   81.780  814.257   97.745 42.18530 127.4443 
1 1 1  -15    9   22 o  949.375   70.545   4.2718   0.6119   4.1886   0.8035   4.3867   0.9440  928.989   95.349  942.506  110.973 -13.51721 146.3091 
1 1 1  -15    9   23 o  511.568  116.145   1.3452   0.5342   1.5371   0.6593   0.9781   0.9117  540.145  133.429  448.450  166.230 91.69492 213.1563 
1 1 1  -15    9   24 o  711.498   78.171   2.4581   0.5033   3.4764   0.6885   1.2890   0.7377  840.469   90.451  484.322  150.055 356.1469 175.2081 
1 1 1  -15    9   25 o  227.479  102.283  -0.1328   0.4478  -0.2132   0.5587   0.0118   0.7491  246.484  112.184  305.910  135.226 -59.42583 175.7022 
1 1 1  -15   11    1 o  2031.86   84.598   19.546   1.5817   19.546   1.5817   0.0000   0.0000  2031.86   84.598  ?   ?  0.000000 84.59755 
1 1 1  -15   11    2 o  1056.90   35.524   5.1643   0.3455   5.3447   0.4705   4.9532   0.5090  1073.13   47.646  1030.48   53.862 42.64746 71.91129 
1 1 1  -15   11    3 o  1669.16   30.407   12.864   0.4670   12.762   0.7262   12.935   0.6099  1658.33   47.588  1671.77   39.648 -13.43872 61.93980 
1 1 1  -15   11    4 o  988.210   31.354   4.5102   0.2851   4.3197   0.3851   4.7412   0.4241  965.435   43.352  1011.06   45.585 -45.62061 62.90789 
1 1 1  -15   11    5 o  529.680   40.923   1.3071   0.1979   1.3229   0.2895   1.2932   0.2712  529.052   60.560  523.752   57.195 5.300049 83.29888 
1 1 1  -15   11    6 o  934.164   33.529   4.0342   0.2882   4.0536   0.4107   4.0154   0.4045  932.875   48.012  928.583   47.502 4.291443 67.53970 
1 1 1  -15   11    7 o  136.492   62.483  -0.1184   0.1766  -0.3017   0.2483   0.0691   0.2511  144.507   68.674  202.727   83.479 -58.21980 108.0960 
1 1 1  -15   11    8 o  1288.26   34.674   7.6816   0.4110   7.1833   0.5675   8.2316   0.5961  1241.87   49.662  1329.71   48.722 -87.84094 69.57128 
1 1 1  -15   11    9 f  390.028   86.933   0.7553   0.3040   0.3757   0.4348   1.1186   0.4253  306.162  114.533  472.011  100.974 -165.8492 152.6878 
1 1 1  -15   11   10 o  235.190   83.560   0.2346   0.2271   0.1965   0.3169   0.2749   0.3256  246.535   96.384  265.201   99.140 -18.66618 138.2701 
1 1 1  -15   11   11 o  1069.98   40.176   5.3224   0.3956   5.3330   0.5514   5.3111   0.5678  1064.28   56.506  1061.28   58.366 3.002930 81.23745 
1 1 1  -15   11   12 o  591.611   72.945   1.6903   0.3887   1.6469   0.5220   1.7444   0.5824  571.046  103.131  583.453  112.551 -12.40631 152.6555 
1 1 1  -15   11   13 o  1110.39   44.011   5.7473   0.4497   5.3666   0.6095   6.2022   0.6662  1064.29   62.509  1143.84   63.543 -79.55078 89.13508 
1 1 1  -15   11   14 o  415.771   84.079   0.8589   0.3106   1.0401   0.4332   0.6671   0.4456  450.770  106.183  364.920  117.107 85.85037 158.0789 
1 1 1  -15   11   15 f  1018.20   48.259   4.8400   0.4521   5.3020   0.6506   4.4085   0.6288  1056.54   67.272  961.016   71.622 95.52625 98.26109 
1 1 1  -15   11   16 o  979.099   63.712   4.5345   0.5709   4.4667   1.2854   4.5512   0.6372  911.321  159.075  977.548   71.328 -66.22736 174.3343 
1 1 1  -15   11   17 o  674.950   82.007   2.1993   0.4989   1.8895   1.0218   2.2962   0.5716  584.926  175.703  685.417   93.035 -100.4912 198.8144 
1 1 1  -15   11   18 o  789.308   69.809   2.9528   0.5018   3.1145   0.8253   2.8579   0.6320  791.073  116.898  768.632   91.139 22.44031 148.2278 
1 1 1  -15   11   19 o  938.736   59.580   4.1329   0.5120   4.4649   0.7321   3.8151   0.7163  967.423   83.046  891.592   88.475 75.83112 121.3440 
1 1 1  -15   11   20 o  1056.21   71.719   5.2727   0.6929   6.1873   1.0259   4.5055   0.9396  1131.12   99.584  959.701  108.291 171.4201 147.1187 
1 1 1  -15   11   21 o  478.759  105.832   1.1508   0.4538   1.1632   0.5941   1.1334   0.7033  475.185  131.436  469.346  146.698 5.838318 196.9657 
1 1 1  -15   11   22 o  327.190  107.880   0.5119   0.3768   0.3486   0.4945   0.7382   0.5820  310.980  120.720  390.083  134.100 -79.10287 180.4329 
1 1 1  -15   11   23 o  213.892   99.714  -0.3763   0.4806  -0.7441   0.5837   0.3979   0.8469  212.994  102.319  366.948  152.392 -153.9537 183.5555 
1 1 1  -15   11   24 o  584.744   92.999   1.7173   0.4836   1.2519   0.6363   2.3541   0.7443  477.232  137.436  665.465  126.159 -188.2329 186.5605 
1 1 1  -15   13    1 o  980.712   76.313   4.5939   0.6832   5.2629   0.9887   3.9823   0.9453  1033.50  105.437  890.206  118.335 143.2961 158.4930 
1 1 1  -15   13    2 o  361.696   48.537   0.6199   0.1575   0.6275   0.2314   0.6134   0.2149  358.214   72.694  355.147   68.233 3.066864 99.70024 
1 1 1  -15   13    3 o  1041.87   28.421   5.0154   0.2725   5.3820   0.4092   4.7235   0.3652  1076.75   41.302  1009.14   39.329 67.60547 57.03228 
1 1 1  -15   13    4 o  1267.50   29.359   7.4252   0.3424   6.6315   0.4845   8.2174   0.4840  1194.44   44.082  1330.95   39.520 -136.5044 59.20415 
1 1 1  -15   13    5 o  741.569   35.448   2.5474   0.2419   2.2832   0.3405   2.8165   0.3436  697.087   53.499  776.038   48.364 -78.95020 72.11916 
1 1 1  -15   13    6 o  228.180   72.923   0.2428   0.1729   0.1220   0.2498   0.3541   0.2397  212.853   84.826  272.407   85.715 -59.55414 120.5929 
1 1 1  -15   13    7 o  1205.19   33.561   6.7277   0.3722   6.7478   0.5261   6.7075   0.5265  1202.94   47.533  1199.29   47.714 3.652466 67.34985 
1 1 1  -15   13    8 o  639.809   45.151   1.9169   0.2641   1.8943   0.3706   1.9403   0.3765  630.216   64.826  637.827   65.066 -7.611511 91.84795 
1 1 1  -15   13    9 o  835.026   53.504   3.2825   0.4089   3.2440   0.5807   3.3203   0.5760  819.854   77.908  830.320   76.241 -10.46570 109.0067 
1 1 1  -15   13   10 o  563.406   55.691   1.5059   0.2849   1.2781   0.3801   1.7980   0.4305  508.779   84.133  607.560   78.863 -98.78021 115.3162 
1 1 1  -15   13   11 o  398.462   76.682   0.7842   0.2710   0.3166   0.3585   1.4070   0.4138  278.617  104.050  532.629   87.457 -254.0115 135.9229 
1 1 1  -15   13   12 o  460.326   90.566   1.0626   0.3699   1.1261   0.5111   0.9928   0.5361  463.076  119.240  433.668  126.521 29.40768 173.8556 
1 1 1  -15   13   13 o  602.455   61.931   1.7310   0.3384   2.5499   0.5114   1.0929   0.4514  725.657   77.798  460.591  108.331 265.0656 133.3722 
1 1 1  -15   13   14 o  874.477   50.292   3.5891   0.4030   4.0339   0.5734   3.1550   0.5664  919.845   68.234  808.958   77.024 110.8867 102.9005 
1 1 1  -15   13   15 f  301.070   95.948   0.4383   0.2995   0.0958   0.4059   0.8481   0.4439  250.164  104.826  406.386  114.054 -156.2218 154.9085 
1 1 1  -15   13   16 o  264.728   97.138   0.2848   0.3100   1.0928   0.4528  -0.4281   0.4253  463.548  108.131  194.166   91.555 269.3821 141.6847 
1 1 1  -15   13   17 o  691.427   64.549   2.2642   0.4059   2.1834   0.5817   2.3408   0.5668  666.951   97.677  693.732   90.977 -26.78162 133.4826 
1 1 1  -15   13   18 o  1067.48   57.464   5.3376   0.5624   4.7886   0.8408   5.7820   0.7565  996.768   92.730  1104.45   74.883 -107.6820 119.1901 
1 1 1  -15   13   19 o  852.872   61.327   3.4212   0.4781   3.8658   0.7011   3.0346   0.6536  897.831   85.906  792.452   91.307 105.3792 125.3669 
1 1 1  -15   13   20 o  968.539   76.099   4.4635   0.6727   3.8688   0.9580   5.0421   0.9449  879.106  121.696  1016.64  102.404 -137.5308 159.0485 
1 1 1  -15   13   21 o  474.329  137.325   1.1770   0.6338   1.3027   1.1699   1.1247   0.7540  505.728  188.137  465.463  152.555 40.26483 242.2159 
1 1 1  -15   13   22 o  510.550  121.076   1.3599   0.5602   0.8381   1.1096   1.5383   0.6490  442.578  177.953  538.560  131.982 -95.98160 221.5545 
1 1 1  -15   13   23 o  350.538  116.294   0.6172   0.4377   0.5742   0.6017   0.6656   0.6377  356.240  134.439  374.173  138.962 -17.93381 193.3502 
1 1 1  -15   13   24 o  240.988  104.257   0.0293   0.4247   0.3389   0.5475  -0.4388   0.6731  309.363  124.782  251.393  117.466 57.97052 171.3736 
1 1 1  -15   15    1 o  1123.04   31.414   5.8463   0.3246   5.8262   0.4627   5.8657   0.4555  1116.72   45.033  1120.84   44.168 -4.110474 63.07780 
1 1 1  -15   15    2 o  458.150   38.283   0.9827   0.1599   0.8628   0.2744   1.0443   0.1968  419.281   73.814  470.646   46.030 -51.36533 86.99020 
1 1 1  -15   15    3 o  941.389   32.129   4.1076   0.2783   4.5075   0.4671   3.8874   0.3465  979.022   52.034  913.643   41.221 65.37848 66.38313 
1 1 1  -15   15    4 o  546.714   43.374   1.4020   0.2164   1.7565   0.3634   1.2073   0.2694  605.157   66.349  502.737   59.378 102.4197 89.03867 
1 1 1  -15   15    5 o  906.494   37.328   3.8186   0.3114   3.9401   0.5106   3.7467   0.3929  911.279   61.243  893.819   47.943 17.46051 77.77669 
1 1 1  -15   15    6 o  737.391   41.825   2.5416   0.2826   2.4554   0.4590   2.5942   0.3587  714.421   70.757  741.555   52.910 -27.13385 88.35140 
1 1 1  -15   15    7 o  538.472   51.451   1.3722   0.2518   1.3315   0.3785   1.4045   0.3373  519.680   81.868  538.791   69.666 -19.11047 107.4981 
1 1 1  -15   15    8 o  825.387   42.609   3.1863   0.3225   3.1067   0.4648   3.2603   0.4479  807.208   63.072  828.778   59.121 -21.57074 86.44843 
1 1 1  -15   15    9 o  317.924   96.667   0.5067   0.3079   0.6299   0.4593   0.4061   0.4150  354.748  119.161  304.620  112.297 50.12781 163.7378 
1 1 1  -15   15   10 o  790.106   47.368   2.9325   0.3428   3.0793   0.4835   2.7842   0.4861  802.043   66.103  760.490   70.255 41.55328 96.46401 
1 1 1  -15   15   11 o  599.482   75.469   1.7486   0.4071   1.7426   0.5411   1.7565   0.6179  584.725  104.399  578.549  120.003 6.176025 159.0593 
1 1 1  -15   15   12 f  684.191   54.943   2.2149   0.3430   1.9801   0.4686   2.4860   0.5034  635.992   81.973  715.647   77.700 -79.65540 112.9457 
1 1 1  -15   15   13 f  748.006   54.124   2.6404   0.3700   2.7639   0.5175   2.5113   0.5293  756.729   75.317  718.128   81.542 38.60126 111.0036 
1 1 1  -15   15   14 o  646.248   60.203   1.9837   0.3539   1.6591   0.4955   2.3217   0.5056  576.254   96.886  691.265   81.019 -115.0117 126.2973 
1 1 1  -15   15   15 o  234.820   95.067   0.1356   0.3190   0.6697   0.4713  -0.3163   0.4335  368.029  120.608  206.777   95.817 161.2511 154.0360 
1 1 1  -15   15   16 o  409.050   93.537   0.8357   0.3444   0.8656   0.4751   0.8026   0.5000  412.419  118.748  399.200  123.516 13.21899 171.3396 
1 1 1  -15   15   17 o  1187.65   54.168   6.5836   0.5920   7.3067   0.9541   6.1310   0.7548  1236.08   84.393  1137.59   72.485 98.49231 111.2488 
1 1 1  -15   15   18 o  176.079   83.314  -0.3947   0.3577  -0.1337   0.5170  -0.6344   0.4955  250.760  111.521  199.100   95.280 51.66068 146.6805 
1 1 1  -15   15   19 o  728.060   68.288   2.5171   0.4521   2.4717   0.6439   2.5612   0.6350  708.448  101.691  723.007   97.977 -14.55859 141.2113 
1 1 1  -15   15   20 o  1084.69   78.620   5.6286   0.7794   7.9765   1.1252   3.4632   1.0806  1280.51   96.198  808.291  150.830 472.2187 178.8962 
1 1 1  -15   15   21 o  247.014  104.805   0.0640   0.4140  -0.0002   0.5780   0.1317   0.5932  277.055  120.733  295.922  125.502 -18.86737 174.1469 
1 1 1  -15   15   22 o  219.070  103.778  -0.5474   0.5583  -0.4885   0.7405  -0.6250   0.8497  264.679  123.518  276.653  130.132 -11.97357 179.4187 
1 1 1  -15   15   23 o  248.421  107.779   0.0284   0.4565   0.1026   0.6422  -0.0474   0.6490  294.861  127.883  280.349  124.797 14.51288 178.6852 
1 1 1  -15   17    1 o  393.370   54.452   0.7448   0.1918   1.1957   0.2658   0.2550   0.2770  498.349   59.124  247.147   91.630 251.2023 109.0484 
1 1 1  -15   17    2 o  766.594   39.092   2.7490   0.2748   2.7662   0.3945   2.7329   0.3831  762.168   56.656  758.143   55.298 4.025574 79.16970 
1 1 1  -15   17    3 o  794.646   37.557   2.9425   0.2746   3.1975   0.4374   2.7767   0.3528  819.144   58.418  766.560   50.296 52.58356 77.08640 
1 1 1  -15   17    4 o  564.788   45.479   1.5038   0.2344   1.8231   0.3887   1.3215   0.2937  612.655   70.215  523.672   62.175 88.98273 93.78631 
1 1 1  -15   17    5 o  326.538   70.769   0.5303   0.2065   0.6648   0.3443   0.4547   0.2581  358.505  100.386  300.511   87.812 57.99402 133.3728 
1 1 1  -15   17    6 o  921.772   40.365   3.9654   0.3424   4.2319   0.5579   3.8044   0.4336  939.757   64.909  896.931   52.775 42.82648 83.65673 
1 1 1  -15   17    7 o  1067.22   40.969   5.3172   0.4023   4.9505   0.6385   5.5587   0.5181  1014.43   68.813  1086.47   51.825 -72.04443 86.14568 
1 1 1  -15   17    8 f  655.466   52.839   2.0364   0.3160   1.9813   0.5348   2.0659   0.3916  626.418   95.836  655.019   65.872 -28.60077 116.2914 
1 1 1  -15   17    9 o  482.533   96.611   1.1880   0.4140   1.5296   0.8904   1.0938   0.4676  512.227  165.651  455.760  112.246 56.46695 200.0989 
1 1 1  -15   17   10 o  511.916   69.893   1.2737   0.3206   0.6913   0.5056   1.6654   0.4147  368.962  125.019  582.337   79.459 -213.3752 148.1338 
1 1 1  -15   17   11 o  461.909   95.190   1.0833   0.3911   1.5745   0.5467   0.5681   0.5598  550.879  111.672  351.377  130.258 199.5021 171.5739 
1 1 1  -15   17   12 o  817.302   53.027   3.1502   0.3966   3.0147   0.5791   3.2700   0.5444  786.769   81.155  824.177   72.520 -37.40759 108.8362 
1 1 1  -15   17   13 o  414.293   85.574   0.8570   0.3154   0.5519   0.4491   1.1541   0.4431  339.715  117.743  475.044  104.236 -135.3291 157.2534 
1 1 1  -15   17   14 o  693.990   62.346   2.2877   0.3939   2.3280   0.5571   2.2474   0.5570  688.807   90.052  675.716   91.968 13.09143 128.7146 
1 1 1  -15   17   15 o  752.164   59.819   2.6717   0.4106   2.8174   0.5835   2.5288   0.5779  763.052   84.529  720.567   89.047 42.48505 122.7781 
1 1 1  -15   17   16 o  765.576   67.055   2.7799   0.4676   2.8033   0.7153   2.7624   0.6179  752.481  106.259  753.913   90.911 -1.432068 139.8421 
1 1 1  -15   17   17 o  279.233  103.546   0.3094   0.3538   0.5648   0.5124   0.0767   0.4891  353.165  125.507  269.354  114.084 83.81149 169.6089 
1 1 1  -15   17   18 o  231.066   98.569   0.0274   0.3697   0.2923   0.5468  -0.1958   0.5018  311.802  125.077  239.144  107.828 72.65759 165.1396 
1 1 1  -15   17   19 o  346.247  116.336   0.5764   0.4378   0.6187   0.6076   0.5306   0.6313  370.587  135.992  359.285  137.195 11.30182 193.1742 
1 1 1  -15   17   20 o  806.100   88.879   3.1827   0.6483   3.8378   0.9731   2.6599   0.8693  861.116  126.593  706.727  138.626 154.3885 187.7308 
1 1 1  -15   17   21 o  159.892   78.230  -0.6849   0.3846  -0.3514   0.5664  -0.9701   0.5238  236.594  109.596  182.719   89.787 53.87570 141.6796 
1 1 1  -15   17   22 f  313.289  128.170   0.3297   0.5873  -0.1468   0.7612   1.0302   0.9230  291.085  131.883  434.064  165.857 -142.9782 211.9005 
1 1 1  -15   17   23 o  365.423  147.189   0.6078   0.7606   0.3504   0.8965   1.2689   1.4366  350.716  151.601  463.199  195.813 -112.4824 247.6401 
1 1 1  -15   19    1 o  477.293   64.306   1.1120   0.2752   1.1434   0.2896   0.8184   0.8862  482.948   66.959  399.558  159.607 83.39008 173.0834 
1 1 1  -15   19    2 o  261.153   79.072   0.3397   0.2063   0.3104   0.2702   0.3808   0.3196  258.904   91.226  282.686   99.254 -23.78229 134.8095 
1 1 1  -15   19    3 o  981.859   41.040   4.5126   0.3708   4.7437   0.5324   4.2950   0.5167  996.514   58.315  947.306   59.579 49.20758 83.36826 
1 1 1  -15   19    4 o  276.948   80.710   0.3852   0.2183   0.3005   0.3351   0.4476   0.2877  267.295  100.442  298.069   93.925 -30.77335 137.5161 
1 1 1  -15   19    5 o  230.659   83.000   0.2306   0.2248   0.1133   0.3388   0.3229   0.3004  231.954   96.366  267.275   95.974 -35.32104 136.0050 
1 1 1  -15   19    6 f  1163.55   40.851   6.3279   0.4374   6.3742   0.6859   6.2962   0.5678  1152.49   64.948  1154.21   53.459 -1.720703 84.11940 
1 1 1  -15   19    7 o  486.086   63.718   1.1447   0.2781   1.4694   0.4954   0.9952   0.3361  531.582  105.008  444.146   85.339 87.43594 135.3124 
1 1 1  -15   19    8 o  341.690  103.526   0.6001   0.3536   0.6480   0.8350   0.5897   0.3903  385.059  154.529  340.086  109.650 44.97250 189.4797 
1 1 1  -15   19    9 o  488.188   70.506   1.1636   0.3075   1.3030   0.5113   1.0846   0.3850  496.617  114.271  461.361   93.872 35.25668 147.8845 
1 1 1  -15   19   10 o  452.812   78.911   1.0160   0.3168   1.7018   0.5334   0.6420   0.3939  576.003  104.483  353.848  109.644 222.1546 151.4549 
1 1 1  -15   19   11 o  649.193   79.088   2.0589   0.4627   1.7798   0.6246   2.3983   0.6887  581.491  120.686  681.782  113.797 -100.2909 165.8757 
1 1 1  -15   19   12 o  1183.64   49.875   6.5619   0.5432   5.8269   0.8602   7.0494   0.7006  1093.50   86.190  1219.13   62.662 -125.6290 106.5607 
1 1 1  -15   19   13 o  269.611  100.729   0.2891   0.3361   0.1848   0.5201   0.3639   0.4403  288.497  119.587  302.732  114.824 -14.23434 165.7878 
1 1 1  -15   19   14 o  420.443  101.311   0.8945   0.3873   0.8125   0.6394   0.9421   0.4868  406.130  140.510  427.735  119.219 -21.60492 184.2726 
1 1 1  -15   19   15 o  545.334   92.996   1.4688   0.4499   1.1394   0.7605   1.6461   0.5580  467.634  153.216  570.871  110.222 -103.2375 188.7434 
1 1 1  -15   19   16 o  1104.87   58.021   5.7381   0.5878   6.0432   0.9401   5.5422   0.7532  1116.23   92.358  1077.44   76.471 38.78247 119.9069 
1 1 1  -15   19   17 o  311.584  112.506   0.4238   0.4134   0.6311   0.6347   0.2710   0.5449  375.524  138.797  307.119  124.272 68.40454 186.3015 
1 1 1  -15   19   18 o  473.649  108.620   1.1493   0.4633   0.8627   0.6597   1.4283   0.6508  413.751  142.745  517.821  135.153 -104.0704 196.5771 
1 1 1  -15   19   19 o  872.242  100.358   3.7979   0.7908   2.9158   1.1222   4.6680   1.1145  709.649  173.345  942.735  132.108 -233.0863 217.9474 
1 1 1  -15   19   20 o  783.470   75.255   2.9849   0.5359   3.4070   0.8007   2.6425   0.7211  814.335  109.646  713.179  113.708 101.1570 157.9614 
1 1 1  -15   19   21 o  468.484  111.375   1.1746   0.4731   0.6794   0.6931   1.6065   0.6473  372.457  143.383  535.983  132.100 -163.5256 194.9589 
1 1 1  -15   19   22 o  679.922  130.442   2.5864   0.7864   1.1783   1.1155   3.9777   1.1089  443.570  178.398  821.845  152.236 -378.2744 234.5242 
1 1 1  -15   21    1 o  434.499   64.454   0.9260   0.2499   0.6518   0.2995   1.5536   0.4532  353.528   91.403  549.377   92.965 -195.8486 130.3726 
1 1 1  -15   21    2 o  700.274   50.221   2.3297   0.3215   2.4142   0.4182   2.2077   0.5026  705.484   65.156  663.216   84.256 42.26770 106.5099 
1 1 1  -15   21    3 o  268.250   86.860   0.3547   0.2447   0.2242   0.3307   0.5127   0.3639  249.763   98.216  317.565  106.068 -67.80257 144.5575 
1 1 1  -15   21    4 o  560.049   60.106   1.5124   0.3049   1.1079   0.4152   1.9858   0.4492  459.622  100.937  632.894   78.844 -173.2716 128.0805 
1 1 1  -15   21    5 o  912.521   64.018   4.0065   0.5341   4.3240   0.5994   2.7822   1.1771  944.536   69.454  655.085  186.380 289.4506 198.8998 
1 1 1  -15   21    6 o  1408.63   56.935   9.4180   0.7380   9.7557   0.8445   8.3272   1.5180  1427.65   64.285  1235.21  135.797 192.4365 150.2446 
1 1 1  -15   21    7 o  1267.44   48.189   7.5524   0.5620   7.1328   0.8080   7.9457   0.7823  1213.45   72.695  1286.31   66.316 -72.85767 98.39954 
1 1 1  -15   21    8 o  757.232   71.753   2.7813   0.4940   1.8301   1.1524   2.9954   0.5468  539.245  188.515  783.160   76.864 -243.9141 203.5826 
1 1 1  -15   21    9 o  421.997   83.314   0.8933   0.3120   1.2878   0.5252   0.6782   0.3879  492.237  117.568  361.911  108.159 130.3260 159.7513 
1 1 1  -15   21   10 o  699.008   74.516   2.3696   0.4719   2.2949   0.6101   2.4809   0.7445  673.576  101.597  687.795  122.106 -14.21906 158.8451 
1 1 1  -15   21   11 o  593.295   70.869   1.6998   0.3792   1.5870   0.5915   1.7785   0.4941  550.310  120.184  597.471   92.900 -47.16083 151.9033 
1 1 1  -15   21   12 o  1052.68   54.556   5.2122   0.5266   7.1150   0.9122   4.2609   0.6450  1214.25   82.123  942.243   75.013 272.0053 111.2258 
1 1 1  -15   21   13 o  397.843  106.128   0.8069   0.3957   1.3650   0.7731   0.6089   0.4606  502.128  153.290  354.220  119.327 147.9081 194.2592 
1 1 1  -15   21   14 o  603.890   83.597   1.7781   0.4521   1.5336   0.7768   1.9033   0.5559  531.794  151.448  617.442  101.363 -85.64734 182.2386 
1 1 1  -15   21   15 o  260.129  105.007   0.1817   0.3880   0.1181   0.6266   0.2212   0.4941  301.570  128.479  289.243  117.864 12.32660 174.3523 
1 1 1  -15   21   16 o  292.567  109.150   0.3504   0.3943   0.2284   0.6425   0.4242   0.4995  316.981  132.281  322.461  122.293 -5.480133 180.1502 
1 1 1  -15   21   17 o  953.386   71.418   4.3585   0.6220   3.7076   0.8955   4.9651   0.8645  850.364  117.589  1002.96   94.802 -152.5931 151.0453 
1 1 1  -15   21   18 o  325.194  120.526   0.4754   0.4793   0.1125   0.6720   0.8511   0.6838  304.098  131.349  405.817  144.895 -101.7188 195.5689 
1 1 1  -15   21   19 o  688.764  119.701   2.5231   0.7311   2.3487   1.3819   2.5909   0.8615  584.023  206.260  679.748  142.306 -95.72455 250.5879 
1 1 1  -15   21   20 o  331.757  121.610   0.5439   0.4857   0.8711   0.7916   0.3464   0.6150  400.778  153.492  315.462  130.344 85.31549 201.3685 
1 1 1  -15   21   21 o  303.401  126.577   0.3083   0.5881   1.0040   0.8009  -0.5057   0.8663  412.941  155.258  275.454  130.123 137.4867 202.5758 
1 1 1  -15   23    1 o  183.510   79.182   0.0058   0.2437   0.0294   0.2909  -0.0497   0.4463  202.870   87.010  233.548  103.749 -30.67775 135.4054 
1 1 1  -15   23    2 o  320.901   86.623   0.5305   0.2617   0.7312   0.3136   0.0696   0.4752  374.862   91.673  255.519  110.413 119.3434 143.5098 
1 1 1  -15   23    3 o  734.584   54.687   2.5746   0.3670   2.8312   0.5014   2.2785   0.5387  760.507   72.523  671.285   89.436 89.22162 115.1448 
1 1 1  -15   23    4 o  395.555   83.483   0.7959   0.2943   1.1205   0.4117   0.4565   0.4209  463.203   99.547  310.720  113.318 152.4829 150.8332 
1 1 1  -15   23    5 o  600.251   64.108   1.7420   0.3486   1.6291   0.5119   1.8397   0.4761  559.854  103.166  604.670   88.158 -44.81616 135.7017 
1 1 1  -15   23    6 o  172.347   77.895  -0.1132   0.2637   0.0255   0.3916  -0.2283   0.3567  232.021  100.243  189.560   87.512 42.46111 133.0680 
1 1 1  -15   23    7 o  708.165   74.521   2.4442   0.4783   3.0658   1.2344   2.3343   0.5188  699.083  187.873  686.937   83.822 12.14612 205.7238 
1 1 1  -15   23    8 o  520.661   76.262   1.3312   0.3545   1.3997   0.5197   1.2715   0.4849  516.691  112.504  493.346  109.650 23.34482 157.1000 
1 1 1  -15   23    9 o  960.763   73.507   4.4485   0.6449   4.7497   0.7356   3.4478   1.3408  987.779   81.664  749.745  193.154 238.0337 209.7080 
1 1 1  -15   23   10 o  501.091  112.397   1.3025   0.5055   1.4820   0.5759   0.7008   1.0546  531.250  120.579  419.068  171.639 112.1819 209.7604 
1 1 1  -15   23   11 o  636.486  108.383   2.0584   0.6120   1.5233   0.6830   4.2391   1.3787  531.168  138.362  858.241  180.317 -327.0727 227.2845 
1 1 1  -15   23   12 o  572.352  131.842   1.7399   0.6800   1.8072   0.7899   1.5472   1.3367  574.405  148.396  526.268  199.951 48.13745 249.0014 
1 1 1  -15   23   13 o  625.752   79.895   1.9069   0.4495   2.0505   0.7433   1.8241   0.5645  620.912  134.027  599.713  106.173 21.19818 170.9848 
1 1 1  -15   23   14 o  932.637   63.221   4.1339   0.5393   3.1515   0.8402   4.8225   0.7034  781.469  120.731  1000.12   77.029 -218.6522 143.2110 
1 1 1  -15   23   15 o  253.421  105.017   0.1356   0.4009   0.1653   0.6246   0.1148   0.5229  303.273  128.710  277.295  117.727 25.97876 174.4298 
1 1 1  -15   23   16 o  258.372  109.974   0.0884   0.4584   0.2565   0.6895  -0.0446   0.6136  322.690  135.995  275.720  122.107 46.96985 182.7703 
1 1 1  -15   23   17 o  645.436   96.026   2.1174   0.5529   1.3311   0.7761   2.9281   0.7880  478.422  154.646  743.274  119.247 -264.8524 195.2827 
1 1 1  -15   23   18 o  421.573  144.594   1.0151   0.6764  -0.7580   1.4398   1.5172   0.7663  341.177  163.037  502.871  152.403 -161.6940 223.1766 
1 1 1  -15   23   19 o  269.338  114.612   0.1606   0.4976  -0.3622   0.8109   0.4764   0.6303  275.679  128.853  330.745  133.717 -55.06628 185.6971 
1 1 1  -15   23   20 o  533.519  163.327   1.8846   0.8770   5.3893   1.8541   0.8746   0.9953  781.181  237.138  395.523  164.814 385.6584 288.7867 
1 1 1  -15   25    1 o  649.599   61.346   2.0319   0.3623   2.2644   0.4681   1.6843   0.5723  678.099   76.351  561.128  114.717 116.9709 137.8024 
1 1 1  -15   25    2 o  1110.93   48.955   5.8147   0.5004   5.4972   0.6288   6.3633   0.8264  1069.51   64.194  1138.34   79.397 -68.83398 102.1016 
1 1 1  -15   25    3 o  228.779   90.504   0.1697   0.2824  -0.0078   0.3364   0.5936   0.5198  211.680   92.178  347.073  126.027 -135.3937 156.1399 
1 1 1  -15   25    4 o  467.494   77.623   1.0853   0.3222   0.9149   0.4270   1.3104   0.4909  415.411  109.987  498.378  109.997 -82.96661 155.5517 
1 1 1  -15   25    5 o  704.131   60.733   2.3721   0.3897   1.8348   0.5290   3.0095   0.5761  599.605   99.355  782.505   81.196 -182.9005 128.3131 
1 1 1  -15   25    6 o  255.356  103.198   0.1894   0.3752  -2.0799   1.1288   0.4713   0.3979  256.736  127.203  314.643  110.720 -57.90735 168.6402 
1 1 1  -15   25    7 o  338.914   98.745   0.5861   0.3268   0.4074   0.4625   0.7642   0.4618  310.542  117.699  382.484  118.754 -71.94205 167.1996 
1 1 1  -15   25    8 o  271.935  101.051   0.3077   0.3373  -0.3471   0.4981   0.8624   0.4585  219.818  102.154  405.019  116.665 -185.2013 155.0679 
1 1 1  -15   25    9 o  1178.86   82.129   6.7593   0.8853   6.8564   1.0468   6.5155   1.6592  1174.33   97.760  1063.35  175.714 110.9874 201.0782 
1 1 1  -15   25   10 o  384.352  107.744   0.7649   0.3964   0.9193   0.6804   0.6855   0.4877  418.711  144.932  367.814  122.800 50.89761 189.9612 
1 1 1  -15   25   11 o  806.612   72.330   3.1387   0.5311   3.7423   0.8314   2.7226   0.6904  858.640  107.596  732.237  105.508 126.4033 150.6947 
1 1 1  -15   25   12 o  691.080   74.407   2.3188   0.4657   1.9238   0.7215   2.6010   0.6097  594.859  134.914  721.617   94.063 -126.7584 164.4673 
1 1 1  -15   25   13 o  799.276   70.272   3.0839   0.5116   4.1251   0.8631   2.5200   0.6352  899.915  106.282  704.806  100.811 195.1089 146.4873 
1 1 1  -15   25   14 o  545.002   98.700   1.5238   0.4767   0.9713   0.7411   1.9138   0.6227  422.302  150.843  600.804  116.843 -178.5015 190.8030 
1 1 1  -15   25   15 o  216.726   99.720  -0.2401   0.4576   0.4588   0.6659  -0.8656   0.6300  339.222  137.340  212.431  103.079 126.7914 171.7196 
1 1 1  -15   25   16 o  807.197  112.413   3.4672   0.8123   3.6684   0.9266   2.7994   1.6881  815.415  127.686  582.702  223.913 232.7130 257.7609 
1 1 1  -15   25   17 o  405.719  149.426   0.9741   0.7345   1.3099   0.8154  -0.4708   1.6914  454.211  158.584  363.493  174.497 90.71866 235.7928 
1 1 1  -15   25   18 o  265.981  122.624  -0.1789   0.6967  -1.3363   1.5922   0.0952   0.7748  318.148  156.378  300.679  134.918 17.46896 206.5351 
1 1 1  -15   27    1 o  496.854   92.849   1.2678   0.4089   1.2192   0.5172   1.3487   0.6676  472.485  119.026  483.805  141.202 -11.32010 184.6764 
1 1 1  -15   27    2 o  657.534   74.506   2.1230   0.4428   1.9030   0.5746   2.4447   0.6949  602.492  107.599  678.642  115.412 -76.15076 157.7893 
1 1 1  -15   27    3 o  411.889   93.660   0.8766   0.3470   0.7478   0.4237   1.1390   0.6046  375.172  113.237  450.724  135.102 -75.55145 176.2810 
1 1 1  -15   27    4 o  527.213  135.245   1.5559   0.6593   0.0000   0.0000   1.5559   0.6593  ?   ?   527.213  135.245 0.000000 135.2448 
1 1 1  -15   27    5 o  1004.65   84.654   4.9866   0.7753   0.0000   0.0000   4.9866   0.7753  ?   ?   1004.65   84.654 0.000000 84.65449 
1 1 1  -15   27    6 f  256.794  102.574   0.2139   0.3660  -0.4054   0.4913   0.9865   0.5487  211.354   99.267  424.913  129.009 -213.5594 162.7797 
1 1 1  -15   27    7 o  993.043   62.684   4.7192   0.5698   5.3749   0.8845   4.2539   0.7451  1036.11   93.791  925.076   88.615 111.0352 129.0330 
1 1 1  -15   27    8 o  848.213   87.976   3.5777   0.6767   4.3782   0.7691   0.8357   1.4235  937.195   90.303  442.615  191.177 494.5808 211.4317 
1 1 1  -15   27    9 o  736.380   73.535   2.6438   0.4916   2.7112   0.6932   2.5756   0.6973  724.041  107.288  702.361  111.631 21.67993 154.8291 
1 1 1  -15   27   10 o  362.113  112.404   0.6892   0.4137   0.5211   0.6164   0.8270   0.5581  344.182  134.456  392.266  131.359 -48.08426 187.9724 
1 1 1  -15   27   11 o  550.936   91.881   1.5459   0.4494   1.7443   0.6652   1.3794   0.6095  559.703  131.412  496.393  131.382 63.30960 185.8239 
1 1 1  -15   27   12 o  367.408  116.926   0.7242   0.4450   0.8931   0.6612   0.5844   0.6015  401.520  142.583  348.898  133.758 52.62186 195.5023 
1 1 1  -15   27   13 o  872.983   81.809   3.8063   0.6495   3.5612   0.8520   4.1465   1.0036  812.188  117.405  862.980  130.461 -50.79181 175.5102 
1 1 1  -15   27   14 o  469.645  118.055   1.2364   0.5096   1.4192   0.7029   1.0338   0.7400  481.941  145.940  415.411  150.435 66.52975 209.5931 
1 1 1  -15   27   15 o  548.203  103.719   1.6266   0.5040   1.6636   0.8156   1.6038   0.6411  502.582  158.122  518.448  133.563 -15.86499 206.9818 
1 1 1  -15   27   16 o  684.794   95.680   2.4942   0.5864   2.9887   0.9740   2.2131   0.7345  674.161  159.505  604.957  135.330 69.20459 209.1793 
1 1 1  -15   29    1 o  1059.02   60.988   5.4241   0.5918   5.6247   0.7632   5.1215   0.9371  1061.62   78.692  983.610  105.172 78.01276 131.3530 
1 1 1  -15   29    2 o  335.160  114.309   0.5952   0.4227   0.2901   0.5036   1.3225   0.7775  288.478  118.434  460.819  155.042 -172.3412 195.1017 
1 1 1  -15   29    3 f  347.919  133.449   0.6072   0.5990   0.3491   1.3095   0.6754   0.6735  380.505  172.627  363.027  140.899 17.47882 222.8287 
1 1 1  -15   29    4 o  765.381   70.952   2.8785   0.4940   2.7545   0.6301   3.0765   0.7959  729.935   96.153  751.234  119.106 -21.29834 153.0741 
1 1 1  -15   29    5 o  247.996  101.446   0.1817   0.3678   0.0803   0.4591   0.3637   0.6148  251.952  108.696  315.422  130.323 -63.47052 169.7023 
1 1 1  -15   29    6 o  514.582   99.364   1.3939   0.4535   1.3105   0.6009   1.5043   0.6911  476.563  132.320  503.030  142.713 -26.46701 194.6160 
1 1 1  -15   29    7 o  323.626  122.808   0.5034   0.5038   0.9069   0.5535  -1.4498   1.2176  399.808  130.688  282.471  138.415 117.3372 190.3626 
1 1 1  -15   29    8 o  747.433   75.708   2.7751   0.5135   2.3926   0.7237   3.1631   0.7288  654.704  124.678  773.539  105.109 -118.8346 163.0720 
1 1 1  -15   29    9 o  679.505   83.862   2.3416   0.5132   2.4912   0.7150   2.1826   0.7372  670.595  120.286  613.727  134.270 56.86829 180.2695 
1 1 1  -15   29   10 o  396.724  125.325   0.9048   0.5119   0.7228   0.7017   1.1119   0.7484  366.518  143.380  424.110  151.577 -57.59183 208.6468 
1 1 1  -15   29   11 o  409.957  120.948   0.9703   0.4875   0.5446   0.6360   1.5768   0.7591  334.976  134.713  495.038  152.018 -160.0617 203.1187 
1 1 1  -15   29   12 o  547.354  122.888   1.7403   0.6038   2.1769   0.8603   1.3166   0.8475  572.593  158.088  439.897  160.740 132.6951 225.4534 
1 1 1  -15   29   13 o  986.079   83.930   5.0270   0.7543   5.3049   1.2334   4.8610   0.9534  909.744  152.754  928.813  113.937 -19.06909 190.5663 
1 1 1  -15   29   14 o  558.039  116.406   1.8152   0.5784   1.6848   0.8400   1.9328   0.7976  480.392  161.152  528.636  154.345 -48.24435 223.1418 
1 1 1  -15   31    1 o  347.763  142.392   0.7081   0.7256   0.9245   1.3719   0.6240   0.8549  381.516  174.471  343.576  148.279 37.94016 228.9694 
1 1 1  -15   31    2 o  534.713  153.728   1.9588   0.7967   1.1801   1.3807   2.3475   0.9755  401.661  180.174  558.076  172.493 -156.4158 249.4321 
1 1 1  -15   31    3 o  556.720   99.789   1.6991   0.4924   1.2491   0.5683   3.0555   0.9866  448.537  130.085  667.764  162.179 -219.2263 207.9046 
1 1 1  -15   31    4 o  418.540  112.530   1.0165   0.4428   1.4327   0.5248  -0.0119   0.8249  495.483  116.972  290.561  133.762 204.9218 177.6924 
1 1 1  -15   31    5 o  557.642  124.099   1.8464   0.6204   1.8464   0.6204   0.0000   0.0000  557.642  124.099  ?   ?  0.000000 124.0989 
1 1 1  -15   31    6 o  188.896   91.728  -0.6378   0.5014  -0.6378   0.5014   0.0000   0.0000  188.896   91.728  ?   ?  0.000000 91.72795 
1 1 1  -15   31    7 o  262.334  111.161   0.2146   0.4647   0.0415   0.5730   0.5472   0.7944  259.063  116.148  335.506  143.841 -76.44363 184.8801 
1 1 1  -15   31    8 o  305.855  122.434   0.4714   0.5227   0.7994   0.7097   0.0824   0.7728  360.160  143.155  289.150  131.734 71.00980 194.5434 
1 1 1  -15   31    9 o  370.052  127.645   0.8552   0.5275   0.4166   0.6868   1.4860   0.8237  309.712  133.285  447.202  159.103 -137.4897 207.5543 
1 1 1  -15   31   10 o  144.107   72.268  -1.0250   0.4142  -0.5558   0.5776  -1.5216   0.5943  208.293  100.495  166.582   83.936 41.71149 130.9376 
1 1 1  -15   31   11 o  181.009   88.209  -0.6171   0.4750  -1.6971   0.6507   0.6152   0.6951  171.349   86.523  327.474  137.196 -156.1252 162.2003 
1 1 1  -15   31   12 o  314.209  123.484   0.5771   0.5225   0.1617   0.7026   1.0910   0.7815  279.226  126.590  382.880  150.847 -103.6538 196.9257 
1 1 1  -15   31   13 f  291.638  146.157  -1.4234   1.6807  -1.4234   1.6807   0.0000   0.0000  291.638  146.157  ?   ?  0.000000 146.1567 
1 1 1  -15   33    1 o  275.687  116.733   0.4057   0.5119   0.4365   0.6252   0.3430   0.8917  285.652  124.992  291.400  135.837 -5.747498 184.5933 
1 1 1  -15   33    2 o  508.268  122.564   1.7048   0.5666   1.8280   0.7003   1.4714   0.9640  488.841  145.143  387.853  161.956 100.9876 217.4768 
1 1 1  -15   33    3 o  313.706  124.970   0.6425   0.5419  -0.0211   0.6359   2.4044   1.0361  247.098  115.026  486.920  177.753 -239.8221 211.7247 
1 1 1  -15   33    4 o  367.469  135.445   0.9963   0.6036   0.7551   0.6388   3.0077   1.8448  329.345  134.086  419.053  195.357 -89.70731 236.9461 
1 1 1  -15   33    5 o  283.321  114.336   0.4503   0.4599   0.4811   0.5525   0.3809   0.8298  292.122  122.349  296.862  135.734 -4.739655 182.7373 
1 1 1  -15   33    6 o  233.388  105.820   0.0429   0.4911  -0.5613   0.5806   1.5624   0.9208  202.075   98.261  408.467  162.840 -206.3929 190.1895 
1 1 1  -15   33    7 o  591.646  111.862   2.1483   0.5867   1.5176   0.7477   3.1588   0.9464  428.940  151.689  630.508  162.197 -201.5684 222.0754 
1 1 1  -15   33    8 o  283.810  128.521   0.3175   0.7219   0.3175   0.7219   0.0000   0.0000  283.810  128.521  ?   ?  0.000000 128.5214 
1 1 1  -15   33    9 o  330.456  163.303   0.6034   1.8171   0.6034   1.8171   0.0000   0.0000  330.456  163.303  ?   ?  0.000000 163.3035 
1 1 1  -14    0    1 o  731.465   56.554   2.5101   0.3754   2.5101   0.3754   2.5101   0.3754  731.465   56.554  731.465   56.554 0.000000 0.000000 
1 1 1  -14    0    2 o  2229.66   44.580   22.927   0.9138   22.927   0.9138   22.927   0.9138  2229.66   44.580  2229.66   44.580 0.000000 0.000000 
1 1 1  -14    0    3 o  222.689  106.979   0.3372   0.2532   0.3372   0.2532   0.3372   0.2532  222.689  106.979  222.689  106.979 0.000000 0.000000 
1 1 1  -14    0    4 o  3145.60   45.542   45.610   1.3176   45.610   1.3176   45.610   1.3176  3145.60   45.542  3145.60   45.542 0.000000 0.000000 
1 1 1  -14    0    5 o  1452.31   50.894   9.7552   0.6782   9.7552   0.6782   9.7552   0.6782  1452.31   50.894  1452.31   50.894 0.000000 0.000000 
1 1 1  -14    0    6 o  343.161  110.097   0.6892   0.3067   0.6892   0.3067   0.6892   0.3067  343.161  110.097  343.161  110.097 0.000000 0.000000 
1 1 1  -14    0    8 o  1729.94   78.527   13.933   1.2442   13.933   1.2442   13.933   1.2442  1729.94   78.527  1729.94   78.527 0.000000 0.000000 
1 1 1  -14    0    9 o  866.201   72.695   3.5468   0.5700   3.5468   0.5700   3.5468   0.5700  866.201   72.695  866.201   72.695 0.000000 0.000000 
1 1 1  -14    0   10 o  563.968  103.911   1.6263   0.4853   1.6263   0.4853   1.6263   0.4853  563.968  103.911  563.968  103.911 0.000000 0.000000 
1 1 1  -14    0   11 o  2473.23   83.223   28.684   1.8891   28.684   1.8891   28.684   1.8891  2473.23   83.223  2473.23   83.223 0.000000 0.000000 
1 1 1  -14    0   12 o  607.565   77.309   1.8057   0.4131   1.8057   0.4131   1.8057   0.4131  607.565   77.309  607.565   77.309 0.000000 0.000000 
1 1 1  -14    0   13 o  1331.08   55.899   8.2836   0.6819   8.2836   0.6819   8.2836   0.6819  1331.08   55.899  1331.08   55.899 0.000000 0.000000 
1 1 1  -14    0   14 o  616.612   84.656   1.8922   0.4546   1.8922   0.4546   1.8922   0.4546  616.612   84.656  616.612   84.656 0.000000 0.000000 
1 1 1  -14    0   15 o  756.776   72.650   2.7684   0.4952   2.7684   0.4952   2.7684   0.4952  756.776   72.650  756.776   72.650 0.000000 0.000000 
1 1 1  -14    0   16 o  944.094   69.119   4.2571   0.5931   4.2571   0.5931   4.2571   0.5931  944.094   69.119  944.094   69.119 0.000000 0.000000 
1 1 1  -14    0   17 o  381.516  126.197   0.8972   0.3938   0.8972   0.3938   0.8972   0.3938  381.516  126.197  381.516  126.197 0.000000 0.000000 
1 1 1  -14    0   18 o  396.584  126.585   0.9554   0.4070   0.9554   0.4070   0.9554   0.4070  396.584  126.585  396.584  126.585 0.000000 0.000000 
1 1 1  -14    0   19 o  427.689  129.847   1.0901   0.4460   1.0901   0.4460   1.0901   0.4460  427.689  129.847  427.689  129.847 0.000000 0.000000 
1 1 1  -14    0   20 o  1536.03   83.698   11.233   1.1750   11.233   1.1750   11.233   1.1750  1536.03   83.698  1536.03   83.698 0.000000 0.000000 
1 1 1  -14    0   21 o  304.504  147.730   0.6736   0.4842   0.6736   0.4842   0.6736   0.4842  304.504  147.730  304.504  147.730 0.000000 0.000000 
1 1 1  -14    0   22 o  184.557  120.039   0.0072   0.4907   0.0072   0.4907   0.0072   0.4907  184.557  120.039  184.557  120.039 0.000000 0.000000 
1 1 1  -14    0   23 o  769.496  139.365   3.1749   0.8908   3.1749   0.8908   3.1749   0.8908  769.496  139.365  769.496  139.365 0.000000 0.000000 
1 1 1  -14    0   24 o  718.399  106.776   2.6609   0.6600   2.6609   0.6600   2.6609   0.6600  718.399  106.776  718.399  106.776 0.000000 0.000000 
1 1 1  -14    0   25 o  551.589  148.192   1.8360   0.6500   1.8360   0.6500   1.8360   0.6500  551.589  148.192  551.589  148.192 0.000000 0.000000 
1 1 1  -14    0   26 o  446.075  188.094   1.5885   0.7789   1.5885   0.7789   1.5885   0.7789  446.075  188.094  446.075  188.094 0.000000 0.000000 
1 1 1  -14    2    1 o  1744.78   32.001   14.022   0.5138   14.525   0.7411   13.557   0.7129  1774.73   45.381  1714.61   45.186 60.11829 64.04049 
1 1 1  -14    2    2 o  1536.37   32.603   10.873   0.4609   11.356   0.6718   10.443   0.6335  1569.21   46.527  1504.83   45.752 64.38135 65.25367 
1 1 1  -14    2    3 o  963.995   36.211   4.2816   0.3212   4.0418   0.4530   4.5239   0.4555  934.378   52.909  988.995   50.214 -54.61682 72.94405 
1 1 1  -14    2    4 o  1687.47   33.472   13.117   0.5197   13.242   0.7399   12.995   0.7302  1694.49   47.455  1678.62   47.276 15.86951 66.98523 
1 1 1  -14    2    5 o  513.126   51.223   1.2268   0.2386   1.2303   0.3424   1.2234   0.3327  510.230   75.183  509.111   73.125 1.119232 104.8799 
1 1 1  -14    2    6 o  553.932   52.023   1.4283   0.2621   1.7709   0.3941   1.1567   0.3509  614.678   70.974  493.487   80.017 121.1909 106.9575 
1 1 1  -14    2    7 o  4012.78   40.725   74.237   1.5037   72.752   2.5325   75.045   1.8689  3964.71   69.418  4032.38   50.367 -67.67896 85.76532 
1 1 1  -14    2    8 o  1052.75   50.981   5.1196   0.4939   5.4789   0.8693   4.9484   0.6001  1081.29   88.135  1031.94   63.506 49.34875 108.6315 
1 1 1  -14    2    9 o  1573.42   48.279   11.444   0.6990   11.002   0.8430   12.418   1.2504  1540.83   59.457  1629.20   83.694 -88.37146 102.6633 
1 1 1  -14    2   10 o  390.530   75.363   0.7357   0.2610   0.9749   0.4515   0.6157   0.3199  444.462  110.786  355.356   95.693 89.10620 146.3927 
1 1 1  -14    2   11 o  1026.69   48.781   4.8893   0.4608   5.0061   0.6675   4.7830   0.6370  1031.98   70.719  1009.14   69.019 22.84967 98.81693 
1 1 1  -14    2   12 o  1265.19   56.170   7.4611   0.6539   7.0418   1.1083   7.6850   0.8099  1208.38  100.586  1278.04   69.129 -69.66541 122.0510 
1 1 1  -14    2   13 o  884.806   50.316   3.6583   0.4080   3.2302   0.6251   3.9758   0.5384  819.896   84.051  918.211   64.128 -98.31476 105.7210 
1 1 1  -14    2   14 o  159.102   71.174  -0.0834   0.2139  -0.2329   0.2694   0.1716   0.3518  160.604   74.799  250.600  100.402 -89.99574 125.2018 
1 1 1  -14    2   15 o  788.519   47.495   2.9096   0.3430   2.4793   0.4353   3.6145   0.5571  721.782   66.278  870.972   70.107 -149.1899 96.47726 
1 1 1  -14    2   16 o  628.656   54.472   1.8639   0.3120   1.6104   0.3997   2.2590   0.4991  576.801   77.248  683.153   80.975 -106.3515 111.9116 
1 1 1  -14    2   17 o  185.298   81.113  -0.0434   0.2635  -0.0378   0.3462  -0.0511   0.4062  213.877   93.316  229.736  100.635 -15.85896 137.2422 
1 1 1  -14    2   18 o  578.398   64.949   1.5929   0.3397   1.1804   0.4311   2.2690   0.5518  485.612   99.806  682.167   90.113 -196.5548 134.4676 
1 1 1  -14    2   19 o  329.595   95.648   0.5345   0.3071   0.5412   0.4047   0.5253   0.4716  337.867  111.822  341.612  120.506 -3.745300 164.3953 
1 1 1  -14    2   20 o  748.221   65.538   2.6415   0.4467   2.8583   0.6206   2.4084   0.6434  770.706   89.154  701.612  102.702 69.09424 136.0008 
1 1 1  -14    2   21 o  834.753   56.322   3.2610   0.4301   2.8199   0.5856   3.7777   0.6338  767.788   84.268  892.130   77.987 -124.3420 114.8173 
1 1 1  -14    2   22 o  1084.96   49.004   5.4710   0.4892   6.0164   0.7085   4.9738   0.6764  1130.42   68.434  1026.13   72.092 104.2823 99.40028 
1 1 1  -14    2   23 o  792.437   86.432   3.0242   0.6200   3.6088   0.9424   2.5780   0.8233  847.606  124.545  711.134  130.629 136.4718 180.4868 
1 1 1  -14    2   24 o  352.914  109.965   0.6171   0.3955   1.0975   0.5874   0.2185   0.5350  458.702  132.039  297.922  122.162 160.7791 179.8830 
1 1 1  -14    2   25 o  527.631   94.078   1.3954   0.4400   2.3347   0.6411   0.5589   0.6050  679.261  106.031  356.554  134.748 322.7070 171.4631 
1 1 1  -14    2   26 o  249.865  104.560   0.1184   0.4030  -0.0918   0.5890   0.3034   0.5526  265.480  118.482  306.815  124.790 -41.33447 172.0775 
1 1 1  -14    4    1 o  2593.61   30.463   30.982   0.7270   31.656   1.0422   30.344   1.0146  2620.23   43.228  2565.36   42.982 54.87378 60.96029 
1 1 1  -14    4    2 o  2325.68   31.049   24.912   0.6645   25.297   0.9591   24.557   0.9214  2342.21   44.501  2307.86   43.388 34.35669 62.15173 
1 1 1  -14    4    3 o  1366.58   33.420   8.6029   0.4202   9.2016   0.6166   8.0836   0.5743  1412.45   47.443  1323.89   47.143 88.55884 66.88240 
1 1 1  -14    4    4 o  2520.56   32.393   29.264   0.7513   29.686   1.0875   28.879   1.0392  2537.09   46.581  2502.57   45.129 34.52490 64.85667 
1 1 1  -14    4    5 o  1035.61   38.340   4.9426   0.3654   5.1065   0.5221   4.7853   0.5114  1050.39   54.203  1016.65   54.875 33.74054 77.13092 
1 1 1  -14    4    6 o  1305.72   43.552   7.8620   0.5233   9.0950   0.9417   7.3112   0.6294  1399.56   73.379  1258.35   54.355 141.2072 91.31818 
1 1 1  -14    4    7 o  2357.07   42.187   25.626   0.9150   26.185   1.5831   25.346   1.1212  2376.79   72.386  2342.59   52.015 34.19678 89.13636 
1 1 1  -14    4    8 o  208.290   78.144   0.1501   0.2027   0.0742   0.3400   0.1920   0.2524  234.201   96.856  233.389   87.275 0.8119659 130.3761 
1 1 1  -14    4    9 o  1842.52   40.475   15.679   0.6862   15.230   0.9712   16.128   0.9697  1812.19   58.243  1865.30   56.498 -53.10876 81.14301 
1 1 1  -14    4   10 o  1318.89   44.096   8.0503   0.5351   7.8638   0.7638   8.2302   0.7500  1299.33   63.882  1329.91   61.291 -30.57483 88.52967 
1 1 1  -14    4   11 o  1984.37   34.370   18.196   0.6276   18.915   0.8996   17.515   0.8759  2018.85   48.428  1942.50   49.004 76.35046 68.89576 
1 1 1  -14    4   12 o  735.951   59.184   2.5462   0.3974   2.1974   0.5413   2.9541   0.5853  673.969   89.491  785.708   82.178 -111.7390 121.4983 
1 1 1  -14    4   13 f  478.606   66.285   1.0969   0.2841   0.9686   0.3973   1.2311   0.4063  439.364  100.462  499.482   91.792 -60.11810 136.0825 
1 1 1  -14    4   14 o  736.469   50.431   2.5437   0.3397   1.9280   0.4562   3.3100   0.5089  631.077   80.387  834.941   66.801 -203.8636 104.5201 
1 1 1  -14    4   15 o  1233.23   43.469   7.0785   0.4933   7.5121   0.6978   6.6454   0.6974  1263.88   60.001  1185.30   64.180 78.58142 87.85876 
1 1 1  -14    4   16 o  1081.52   42.798   5.4414   0.4259   5.8838   0.5709   4.8863   0.6396  1120.47   55.375  1013.87   68.966 106.6014 88.44611 
1 1 1  -14    4   17 o  590.433   61.654   1.6559   0.3300   1.6272   0.4246   1.6997   0.5246  578.413   82.076  583.619  101.355 -5.205872 130.4194 
1 1 1  -14    4   18 o  451.817   75.489   0.9919   0.3028   0.5816   0.3764   1.7437   0.5095  344.094  107.286  594.237   96.492 -250.1428 144.2948 
1 1 1  -14    4   19 o  453.291   84.211   1.0061   0.3383   1.0426   0.4415   0.9542   0.5265  455.023  107.211  433.201  125.099 21.82297 164.7541 
1 1 1  -14    4   20 o  160.204   76.883  -0.4572   0.3278  -0.7971   0.4367  -0.0189   0.4959  171.066   83.627  260.105  112.592 -89.03960 140.2511 
1 1 1  -14    4   21 o  232.307   99.622   0.0032   0.3813  -0.1339   0.5079   0.1802   0.5770  249.643  110.802  305.036  126.161 -55.39345 167.9097 
1 1 1  -14    4   22 o  1193.51   52.015   6.6309   0.5712   6.4253   0.7501   6.9148   0.8814  1167.35   70.156  1206.91   79.819 -39.55786 106.2684 
1 1 1  -14    4   23 o  1145.18   86.285   6.2887   0.9026   5.8649   1.0826   7.2546   1.6344  1092.62  109.138  1181.44  154.008 -88.82434 188.7579 
1 1 1  -14    4   24 o  467.624   98.052   1.0988   0.4084   0.6936   0.6001   1.4486   0.5575  382.333  135.822  530.637  117.294 -148.3041 179.4584 
1 1 1  -14    4   25 o  325.755  109.602   0.5159   0.3886   0.3895   0.5596   0.6335   0.5399  323.467  127.578  362.142  128.815 -38.67465 181.2998 
1 1 1  -14    4   26 o  388.068  111.186   0.7919   0.4174   0.8734   0.5708   0.6982   0.6120  404.219  132.743  374.599  136.635 29.61978 190.4994 
1 1 1  -14    6    1 o  904.755   42.107   3.7748   0.3505   2.8954   0.6909   4.0796   0.4068  782.571   98.108  940.308   47.015 -157.7379 108.7918 
1 1 1  -14    6    2 o  1224.25   46.164   6.9139   0.5200   0.0000   0.0000   6.9139   0.5200  ?   ?   1224.25   46.164 0.000000 46.16415 
1 1 1  -14    6    3 o  961.320   50.480   4.2768   0.4450   0.0000   0.0000   4.2768   0.4450  ?   ?   961.320   50.480 0.000000 50.48023 
1 1 1  -14    6    4 o  2791.35   36.342   35.907   0.9335   36.526   1.5829   35.577   1.1558  2811.05   61.194  2777.25   45.229 33.80664 76.09422 
1 1 1  -14    6    5 o  654.335   53.426   1.9903   0.3189   1.7059   0.5378   2.1445   0.3960  596.898  101.548  677.890   64.250 -80.99219 120.1672 
1 1 1  -14    6    6 f  2372.38   31.251   25.933   0.6822   26.585   1.1094   25.536   0.8651  2399.23   50.251  2353.06   39.955 46.17139 64.19880 
1 1 1  -14    6    7 f  1262.83   35.385   7.3539   0.4112   8.1314   0.6878   6.9214   0.5129  1325.59   56.384  1224.22   45.534 101.3695 72.47446 
1 1 1  -14    6    8 o  1264.21   33.527   7.3720   0.3900   7.8208   0.5655   6.9649   0.5386  1300.47   47.256  1227.20   47.698 73.27917 67.14337 
1 1 1  -14    6    9 o  248.674   91.128   0.2373   0.2727   0.5608   0.3943  -0.0592   0.3775  345.415  110.084  223.462   97.471 121.9528 147.0342 
1 1 1  -14    6   10 o  1223.01   37.167   6.9153   0.4183   7.3240   0.5997   6.5282   0.5837  1255.74   51.901  1185.21   53.519 70.53772 74.55153 
1 1 1  -14    6   11 o  1518.77   36.355   10.671   0.5081   10.119   0.7071   11.261   0.7305  1474.66   52.109  1556.04   51.022 -81.38098 72.92867 
1 1 1  -14    6   12 o  906.677   52.993   3.8469   0.4402   3.0943   0.5842   4.8357   0.6696  803.929   80.033  1009.82   72.544 -205.8853 108.0182 
1 1 1  -14    6   13 o  884.712   44.908   3.6510   0.3644   4.1149   0.5257   3.2219   0.5056  933.931   61.514  823.877   67.276 110.0544 91.15887 
1 1 1  -14    6   14 o  1203.74   41.913   6.7384   0.4642   6.6976   0.6477   6.7815   0.6658  1193.86   58.960  1199.23   60.528 -5.367310 84.49751 
1 1 1  -14    6   15 o  733.825   52.813   2.5333   0.3542   2.4331   0.4918   2.6414   0.5106  710.625   76.414  740.911   75.972 -30.28589 107.7540 
1 1 1  -14    6   16 f  1059.10   46.870   5.2302   0.4568   5.1210   0.6299   5.3514   0.6634  1039.19   66.216  1061.41   68.284 -22.21814 95.11717 
1 1 1  -14    6   17 o  396.472   83.839   0.7787   0.2963   0.3874   0.3937   1.2897   0.4500  301.383  109.642  507.245   99.960 -205.8621 148.3690 
1 1 1  -14    6   18 o  847.297   50.439   3.3599   0.3915   3.1523   0.5167   3.6397   0.5999  814.377   69.616  873.128   75.402 -58.75104 102.6247 
1 1 1  -14    6   19 o  340.384   93.087   0.5731   0.3000   0.3522   0.3734   0.9749   0.5036  292.523  106.726  438.046  120.949 -145.5227 161.3039 
1 1 1  -14    6   20 o  261.003  101.565   0.2177   0.3507   0.5091   0.4942  -0.0779   0.4977  342.989  123.107  253.272  111.155 89.71724 165.8639 
1 1 1  -14    6   21 o  372.652  111.312   0.6836   0.4109   0.7048   0.5325   0.6524   0.6462  384.706  128.305  386.466  140.487 -1.760468 190.2603 
1 1 1  -14    6   22 o  949.621   67.231   4.2540   0.5837   4.0745   0.7590   4.5138   0.9131  919.993   90.842  961.909  104.861 -41.91571 138.7376 
1 1 1  -14    6   23 o  547.083  105.088   1.4985   0.5098   1.9617   0.6410   0.7013   0.8409  622.960  116.098  409.795  157.887 213.1646 195.9770 
1 1 1  -14    6   24 o  224.929   99.421  -0.0790   0.4048   0.0284   0.5467  -0.2093   0.6024  273.934  118.398  260.878  117.838 13.05618 167.0440 
1 1 1  -14    6   25 o  398.625  117.537   0.8331   0.4605   0.7388   0.6086   0.9594   0.7043  384.218  136.756  425.523  147.454 -41.30502 201.1091 
1 1 1  -14    6   26 o  416.683  182.384   0.5550   1.3320   0.5550   1.3320   0.0000   0.0000  416.683  182.384  ?   ?  0.000000 182.3837 
1 1 1  -14    8    1 o  503.263   53.828   1.1841   0.2454   1.0973   0.2695   1.6066   0.5943  482.900   62.077  574.593  116.391 -91.69339 131.9109 
1 1 1  -14    8    2 o  1660.71   31.484   12.709   0.4811   11.871   0.6714   13.594   0.6898  1603.63   45.501  1716.27   43.677 -112.6365 63.07171 
1 1 1  -14    8    3 o  1712.70   28.372   13.513   0.4471   14.140   0.7474   13.164   0.5580  1750.10   46.410  1689.75   35.888 60.35132 58.66703 
1 1 1  -14    8    4 o  641.041   36.686   1.9011   0.2155   2.3895   0.3939   1.6923   0.2575  715.990   60.343  603.602   46.717 112.3872 76.31366 
1 1 1  -14    8    5 o  1584.76   31.143   11.575   0.4541   11.216   0.7304   11.802   0.5799  1557.63   50.958  1599.33   39.402 -41.69617 64.41465 
1 1 1  -14    8    6 o  1340.39   37.851   8.2909   0.4668   9.5733   1.0832   7.9984   0.5174  1429.99   82.677  1315.99   42.723 114.0007 93.06298 
1 1 1  -14    8    7 o  339.328   77.463   0.5587   0.2365   0.3544   0.5313   0.6093   0.2642  325.902  125.513  353.944   82.618 -28.04239 150.2637 
1 1 1  -14    8    8 o  1920.94   33.833   17.037   0.5980   16.814   0.7830   17.348   0.9264  1905.89   44.649  1933.79   52.063 -27.89697 68.58680 
1 1 1  -14    8    9 f  705.437   43.062   2.3133   0.2782   2.1193   0.3907   2.5127   0.3961  670.828   64.082  732.063   59.316 -61.23505 87.32073 
1 1 1  -14    8   10 o  712.083   45.920   2.3631   0.2993   2.3507   0.4265   2.3750   0.4200  705.328   66.507  709.378   65.071 -4.049988 93.04559 
1 1 1  -14    8   11 o  902.485   42.793   3.7809   0.3554   3.4091   0.4856   4.2097   0.5215  850.535   62.482  946.369   60.196 -95.83356 86.76154 
1 1 1  -14    8   12 o  506.364   76.984   1.2434   0.3474   1.0428   0.4481   1.5458   0.5501  452.857  108.867  552.119  112.106 -99.26151 156.2679 
1 1 1  -14    8   13 o  1578.80   38.576   11.573   0.5604   11.235   0.7807   11.933   0.8049  1548.40   54.795  1595.77   54.818 -47.36975 77.50771 
1 1 1  -14    8   14 o  728.208   52.174   2.4948   0.3473   2.0651   0.4708   3.0074   0.5143  652.279   80.132  792.670   71.274 -140.3909 107.2429 
1 1 1  -14    8   15 o  962.492   48.402   4.3367   0.4273   4.7386   0.6221   3.9776   0.5880  997.964   68.151  912.871   70.543 85.09296 98.08552 
1 1 1  -14    8   16 o  1012.90   50.071   4.7934   0.4667   5.5800   0.6747   4.0718   0.6462  1083.95   67.985  921.180   76.943 162.7719 102.6748 
1 1 1  -14    8   17 o  507.135   77.428   1.2494   0.3499   1.5850   0.4936   0.9106   0.4960  564.219   98.663  421.003  121.368 143.2166 156.4113 
1 1 1  -14    8   18 o  574.197   74.173   1.5844   0.3827   1.8440   0.5299   1.3013   0.5534  611.457   97.452  503.416  120.972 108.0411 155.3418 
1 1 1  -14    8   19 o  981.800   55.113   4.5104   0.4959   4.7560   0.7159   4.2838   0.6875  999.854   78.443  948.191   79.536 51.66296 111.7109 
1 1 1  -14    8   20 o  784.758   61.571   2.8960   0.4410   2.9442   0.5858   2.8330   0.6701  784.748   82.354  763.929   97.555 20.81915 127.6682 
1 1 1  -14    8   21 o  841.946   59.665   3.3282   0.4592   3.6602   0.6215   2.9290   0.6816  877.157   77.809  776.506   97.546 100.6510 124.7776 
1 1 1  -14    8   22 o  557.140  103.045   1.5425   0.5088   1.4521   0.6643   1.6709   0.7914  528.741  135.822  562.270  150.139 -33.52911 202.4581 
1 1 1  -14    8   23 o  413.323  126.727   0.8724   0.5277   0.7603   0.6369   1.1179   0.9426  397.648  140.071  470.342  169.872 -72.69431 220.1730 
1 1 1  -14    8   24 o  333.388  116.007   0.5271   0.4362   1.0943   0.6062  -0.0817   0.6280  453.035  135.163  277.992  123.306 175.0433 182.9574 
1 1 1  -14    8   25 f  510.779  106.656   1.3553   0.4851   0.8661   0.6136   2.1705   0.7922  404.493  137.725  626.482  140.841 -221.9889 196.9880 
1 1 1  -14   10    1 o  1366.16   60.379   8.6674   0.7590   8.8045   1.0671   8.5269   1.0799  1368.16   85.182  1345.46   87.702 22.70337 122.2609 
1 1 1  -14   10    2 o  480.883   43.287   1.0774   0.1895   0.7745   0.2771   1.3435   0.2597  400.704   77.950  535.919   53.379 -135.2142 94.47514 
1 1 1  -14   10    3 o  1626.38   28.316   12.194   0.4238   12.246   0.7079   12.164   0.5290  1627.03   47.281  1623.53   35.413 3.495728 59.07273 
1 1 1  -14   10    4 o  1058.15   28.590   5.1623   0.2784   5.0191   0.3967   5.3012   0.3908  1042.17   41.365  1071.25   39.641 -29.07568 57.29300 
1 1 1  -14   10    5 o  286.501   65.293   0.3971   0.1683   0.4170   0.2380   0.3772   0.2380  294.449   83.821  282.049   84.818 12.39975 119.2482 
1 1 1  -14   10    6 o  1516.84   31.730   10.619   0.4429   10.731   0.5952   10.480   0.6629  1522.91   42.472  1503.89   47.903 19.02588 64.02010 
1 1 1  -14   10    7 o  1356.68   33.950   8.5033   0.4238   8.3503   0.5633   8.7029   0.6434  1342.20   45.610  1368.95   51.078 -26.75647 68.47813 
1 1 1  -14   10    8 o  214.805   77.804   0.1824   0.1979   0.3774   0.2933   0.0191   0.2683  287.111   95.192  199.175   84.432 87.93623 127.2409 
1 1 1  -14   10    9 o  641.927   48.296   1.9264   0.2832   1.7874   0.3890   2.0831   0.4131  612.739   70.262  662.487   68.760 -49.74750 98.30928 
1 1 1  -14   10   10 o  727.412   45.787   2.4702   0.3049   2.8629   0.4423   2.1145   0.4209  778.723   62.241  666.269   69.690 112.4534 93.43835 
1 1 1  -14   10   11 o  677.798   61.382   2.1764   0.3787   2.9255   0.8410   1.9858   0.4241  756.314  125.219  643.380   72.926 112.9349 144.9068 
1 1 1  -14   10   12 f  1013.08   63.886   4.8622   0.5925   4.2776   0.9613   5.2203   0.7524  920.175  116.122  1042.02   79.057 -121.8422 140.4790 
1 1 1  -14   10   13 o  158.176   73.714  -0.2256   0.2623  -0.0021   0.3630  -0.4697   0.3794  223.282   96.492  175.333   83.759 47.94887 127.7749 
1 1 1  -14   10   14 o  658.065   58.628   2.0534   0.3513   1.9803   0.4944   2.1279   0.4993  635.185   86.857  660.009   84.123 -24.82422 120.9162 
1 1 1  -14   10   15 o  494.792   72.984   1.1875   0.3223   0.4579   0.4160   2.2833   0.5098  317.846  113.069  685.166   82.522 -367.3197 139.9801 
1 1 1  -14   10   16 o  1155.82   47.195   6.2314   0.5019   6.0042   0.7043   6.4659   0.7156  1124.26   68.404  1167.63   66.878 -43.36487 95.66524 
1 1 1  -14   10   17 o  692.119   63.909   2.2736   0.4024   1.9816   0.5482   2.6147   0.5925  633.120   97.213  732.309   89.818 -99.18848 132.3546 
1 1 1  -14   10   18 o  429.057   99.056   0.9219   0.3832   0.9279   0.5196   0.9146   0.5672  426.873  124.568  424.849  131.569 2.024506 181.1836 
1 1 1  -14   10   19 o  215.779   95.428  -0.0934   0.3735  -0.1003   0.5595  -0.0879   0.5015  265.652  117.178  252.577  111.199 13.07501 161.5421 
1 1 1  -14   10   20 o  1115.77   67.676   5.8640   0.6915   5.1055   0.9669   6.6582   0.9894  1024.65  103.996  1177.91   92.016 -153.2598 138.8606 
1 1 1  -14   10   21 o  616.343   74.526   1.8174   0.4141   2.1769   0.5640   1.3971   0.6099  668.214   94.352  521.519  128.033 146.6952 159.0426 
1 1 1  -14   10   22 o  1250.37   61.685   7.3406   0.7097   8.1686   0.9622   6.3527   1.0510  1307.69   80.354  1140.24  101.227 167.4421 129.2423 
1 1 1  -14   10   23 o  602.975  100.328   1.8190   0.5371   1.6999   0.6572   2.0585   0.9319  568.828  128.589  607.224  163.252 -38.39557 207.8130 
1 1 1  -14   10   24 o  371.429  117.511   0.7105   0.4499   0.6544   0.5791   0.7959   0.7148  367.647  133.087  400.187  147.405 -32.54004 198.5959 
1 1 1  -14   10   25 f  744.062   82.590   2.7357   0.5559   2.6752   0.7087   2.8326   0.8963  716.791  111.039  713.351  141.547 3.439819 179.9037 
1 1 1  -14   12    1 f  989.331  100.607   4.7311   0.9031   4.7311   0.9031   0.0000   0.0000  989.331  100.607  ?   ?  0.000000 100.6074 
1 1 1  -14   12    2 o  1083.37   34.211   5.4247   0.3410   5.3140   0.4585   5.5617   0.5102  1070.18   46.565  1093.99   50.683 -23.80750 68.82622 
1 1 1  -14   12    3 o  1126.49   28.764   5.8572   0.2982   5.7984   0.4156   5.9196   0.4280  1119.08   40.360  1130.58   41.139 -11.49500 57.63119 
1 1 1  -14   12    4 o  957.806   31.101   4.2371   0.2741   4.2185   0.3753   4.2584   0.4013  954.060   42.748  958.099   45.520 -4.039124 62.44570 
1 1 1  -14   12    5 o  1002.09   31.556   4.6392   0.2910   5.1285   0.4234   4.2012   0.4006  1051.62   43.753  951.464   45.753 100.1533 63.30635 
1 1 1  -14   12    6 o  715.159   37.062   2.3737   0.2431   2.7421   0.3532   2.0424   0.3350  766.107   50.389  659.498   55.718 106.6092 75.12349 
1 1 1  -14   12    7 o  483.605   49.798   1.0998   0.2184   0.7682   0.3051   1.4485   0.3129  394.484   86.435  552.625   62.635 -158.1411 106.7436 
1 1 1  -14   12    8 o  452.917   55.534   0.9726   0.2266   0.9322   0.3216   1.0125   0.3193  435.691   83.245  455.791   79.005 -20.09970 114.7675 
1 1 1  -14   12    9 f  514.572   68.205   1.2708   0.3150   0.9072   0.4295   1.6939   0.4633  421.861  109.640  588.040   88.360 -166.1788 140.8130 
1 1 1  -14   12   10 o  815.828   43.647   3.1077   0.3265   2.5431   0.4451   3.7649   0.4803  730.361   66.979  893.073   58.772 -162.7119 89.10828 
1 1 1  -14   12   11 o  570.967   53.641   1.5418   0.2785   1.6450   0.3925   1.4371   0.3953  582.715   74.928  541.456   81.906 41.25885 111.0076 
1 1 1  -14   12   12 o  258.978   98.571   0.2527   0.3252  -0.2148   0.4204   0.9494   0.5132  212.505   96.948  425.402  123.693 -212.8970 157.1593 
1 1 1  -14   12   13 o  435.025   75.989   0.9293   0.2931   0.6897   0.3981   1.2129   0.4331  367.667  109.499  489.039   99.638 -121.3720 148.0467 
1 1 1  -14   12   14 o  533.441   67.190   1.3690   0.3225   1.1229   0.4400   1.6546   0.4741  468.581  104.677  577.022   92.408 -108.4409 139.6295 
1 1 1  -14   12   15 o  691.695   59.105   2.2671   0.3726   1.7833   0.5182   2.7849   0.5361  597.815   97.563  759.515   77.805 -161.7000 124.7884 
1 1 1  -14   12   16 o  608.663   85.730   1.8115   0.4668   1.9720   0.9963   1.7663   0.5285  591.493  172.446  594.778  100.114 -3.284973 199.4005 
1 1 1  -14   12   17 o  1210.91   60.005   6.8810   0.6686   6.7820   1.4001   6.9102   0.7610  1152.15  134.602  1207.99   68.744 -55.84851 151.1402 
1 1 1  -14   12   18 o  268.050  104.293   0.2361   0.3697  -0.1261   0.5435   0.5482   0.5045  258.263  114.622  350.012  124.513 -91.74826 169.2384 
1 1 1  -14   12   19 o  589.729   76.435   1.6680   0.4050   1.2077   0.5602   2.1721   0.5862  486.188  124.644  666.137   98.614 -179.9489 158.9365 
1 1 1  -14   12   20 o  556.138  107.038   1.5436   0.5279   1.6154   0.7986   1.4879   0.7034  553.024  152.164  534.141  141.038 18.88251 207.4747 
1 1 1  -14   12   21 o  699.135   81.802   2.3558   0.5163   2.6907   0.6852   1.9159   0.7854  738.200  103.732  602.840  143.624 135.3600 177.1674 
1 1 1  -14   12   22 o  900.764   60.671   3.8336   0.4999   4.9963   0.7062   2.6652   0.7079  1021.73   75.649  728.745  108.907 292.9898 132.6028 
1 1 1  -14   12   23 o  708.214   75.545   2.4289   0.4847   2.6426   0.6352   2.1308   0.7500  727.666   97.296  631.295  133.300 96.37140 165.0318 
1 1 1  -14   12   24 o  395.982  117.764   0.8336   0.4607   0.8320   0.6019   0.8359   0.7160  396.489  136.368  401.768  147.600 -5.278870 200.9525 
1 1 1  -14   12   25 o  436.623  180.844   0.9903   1.1881   0.9903   1.1881   0.0000   0.0000  436.623  180.844  ?   ?  0.000000 180.8442 
1 1 1  -14   14    1 o  758.099   32.838   2.6607   0.2291   2.8577   0.3340   2.4857   0.3148  781.851   46.633  728.867   47.190 52.98407 66.34364 
1 1 1  -14   14    2 o  926.067   29.314   3.9647   0.2498   4.2617   0.4213   3.8037   0.3102  955.101   48.093  905.738   37.219 49.36292 60.81274 
1 1 1  -14   14    3 o  738.183   33.704   2.5228   0.2289   2.4990   0.3731   2.5372   0.2899  728.643   56.079  737.646   42.900 -9.002930 70.60619 
1 1 1  -14   14    4 o  548.921   41.561   1.4074   0.2084   1.2630   0.3388   1.4953   0.2642  511.329   74.176  563.683   51.516 -52.35394 90.31046 
1 1 1  -14   14    5 f  416.490   52.644   0.8230   0.1972   0.7881   0.3267   0.8430   0.2474  397.103   91.314  417.981   66.567 -20.87805 113.0022 
1 1 1  -14   14    6 o  971.856   35.897   4.3792   0.3210   4.2614   0.4847   4.4712   0.4285  952.071   55.568  979.176   47.553 -27.10529 73.13754 
1 1 1  -14   14    7 o  703.950   41.913   2.3133   0.2703   2.7966   0.4231   1.9801   0.3513  768.610   60.306  646.172   59.755 122.4383 84.89685 
1 1 1  -14   14    8 o  522.158   51.741   1.2889   0.2453   1.4825   0.3600   1.1210   0.3352  553.740   72.387  478.128   78.947 75.61227 107.1099 
1 1 1  -14   14    9 o  646.785   62.398   1.9947   0.3668   1.4374   0.5178   2.5557   0.5195  528.523  110.054  725.585   79.091 -197.0624 135.5255 
1 1 1  -14   14   10 o  311.521   86.667   0.4862   0.2575   0.7034   0.3664   0.2741   0.3620  370.464  103.492  270.194  103.717 100.2708 146.5189 
1 1 1  -14   14   11 o  573.505   59.155   1.5685   0.3077   1.6176   0.4291   1.5165   0.4415  572.773   83.896  551.509   90.106 21.26367 123.1166 
1 1 1  -14   14   12 o  367.531   87.563   0.6814   0.2919   0.9669   0.4123   0.3946   0.4133  433.015  104.649  302.714  111.980 130.3012 153.2677 
1 1 1  -14   14   13 o  459.025   75.219   1.0321   0.3067   1.0216   0.4282   1.0431   0.4396  445.271  106.021  449.384  107.703 -4.113129 151.1303 
1 1 1  -14   14   14 o  715.227   56.945   2.4209   0.3717   2.9751   0.5295   1.8828   0.5218  786.152   74.075  614.666   95.343 171.4860 120.7365 
1 1 1  -14   14   15 o  651.585   59.847   2.0148   0.3548   1.9588   0.5042   2.0698   0.4994  630.929   89.348  650.545   85.493 -19.61609 123.6609 
1 1 1  -14   14   16 o  952.381   52.934   4.2550   0.4621   5.1011   0.6767   3.5158   0.6325  1035.12   71.480  854.058   81.467 181.0591 108.3805 
1 1 1  -14   14   17 o  520.414   84.927   1.3224   0.3927   1.8143   0.5812   0.9093   0.5326  601.832  108.965  422.695  126.823 179.1368 167.2046 
1 1 1  -14   14   18 o  764.130   67.854   2.7667   0.4721   2.3700   0.7206   3.0651   0.6250  686.826  118.287  797.625   86.541 -110.7988 146.5649 
1 1 1  -14   14   19 o  573.685   77.064   1.5836   0.3965   1.5405   0.5558   1.6284   0.5659  552.791  113.079  569.114  112.045 -16.32312 159.1889 
1 1 1  -14   14   20 o  717.417   91.638   2.5078   0.5911   3.4197   0.9225   1.8724   0.7700  820.976  126.146  596.073  142.346 224.9026 190.1981 
1 1 1  -14   14   21 f  548.613  128.445   1.5752   0.6370   2.5302   1.2594   1.2470   0.7384  656.056  194.611  483.323  150.186 172.7332 245.8231 
1 1 1  -14   14   22 o  351.729  138.717   0.4827   0.6615  -0.3978   1.0561   1.0513   0.8487  328.226  151.193  447.901  161.268 -119.6755 221.0575 
1 1 1  -14   14   23 o  381.424  120.504   0.7651   0.4733   0.8324   0.7042   0.7097   0.6392  401.502  146.545  378.307  139.383 23.19498 202.2454 
1 1 1  -14   14   24 o  230.430  102.158  -0.0540   0.4306  -0.5133   0.5553   0.6384   0.6818  217.878  103.297  365.523  141.788 -147.6450 175.4251 
1 1 1  -14   16    1 o  468.329   44.557   1.0340   0.1897   1.1662   0.2636   0.8920   0.2732  493.321   59.259  426.311   72.223 67.01010 93.42224 
1 1 1  -14   16    2 f  300.605   63.269   0.4436   0.1695   0.3490   0.2525   0.5212   0.2286  270.228   88.276  322.932   77.838 -52.70352 117.6919 
1 1 1  -14   16    3 f  1145.32   36.318   6.0960   0.3827   6.2436   0.5545   5.9616   0.5289  1152.96   52.270  1127.18   50.997 25.78467 73.02673 
1 1 1  -14   16    4 o  130.558   59.640  -0.0994   0.1597  -0.2426   0.2461   0.0050   0.2100  149.191   70.129  172.969   74.052 -23.77817 101.9885 
1 1 1  -14   16    5 o  639.873   42.468   1.9179   0.2486   1.8846   0.4079   1.9376   0.3136  623.893   72.398  639.765   53.772 -15.87152 90.18262 
1 1 1  -14   16    6 o  189.174   75.382   0.0977   0.1972   0.6757   0.3256  -0.2372   0.2479  363.750   95.915  150.505   70.632 213.2447 119.1159 
1 1 1  -14   16    7 o  948.584   41.242   4.1963   0.3600   4.3486   0.5849   4.1035   0.4567  953.034   67.129  932.360   53.458 20.67432 85.81425 
1 1 1  -14   16    8 o  758.435   48.099   2.7067   0.3339   3.1975   0.5509   2.4216   0.4199  812.468   74.517  710.693   64.924 101.7747 98.83250 
1 1 1  -14   16    9 o  938.206   64.360   4.2059   0.5523   4.5439   1.0609   4.0802   0.6468  928.181  127.596  916.516   77.419 11.66547 149.2458 
1 1 1  -14   16   10 f  278.689   92.073   0.3726   0.2744   0.1593   0.4183   0.5338   0.3636  260.372  107.532  326.927  105.877 -66.55557 150.9075 
1 1 1  -14   16   11 o  1169.88   53.484   6.4407   0.5757   5.8811   0.7694   7.1528   0.8679  1102.99   76.276  1215.51   78.013 -112.5255 109.1055 
1 1 1  -14   16   12 o  428.270   81.505   0.9123   0.3095   1.3791   0.4692   0.5528   0.4117  519.885  101.718  335.364  112.822 184.5206 151.9056 
1 1 1  -14   16   13 o  537.361   66.262   1.3899   0.3207   1.5421   0.4508   1.2340   0.4563  556.193   91.258  490.794  104.251 65.39838 138.5507 
1 1 1  -14   16   14 o  770.644   55.001   2.8028   0.3875   3.3734   0.5668   2.3024   0.5309  837.492   74.325  685.541   86.050 151.9515 113.7047 
1 1 1  -14   16   15 o  661.733   62.830   2.0816   0.3780   2.5776   0.5500   1.6377   0.5204  728.571   83.547  570.795  102.858 157.7766 132.5133 
1 1 1  -14   16   16 o  686.589   65.647   2.2395   0.4097   1.9294   0.5736   2.5623   0.5853  622.289  103.839  725.535   89.575 -103.2463 137.1354 
1 1 1  -14   16   17 o  282.184  105.228   0.3123   0.3664  -0.8563   0.5403   1.3074   0.4986  196.298   95.298  508.786  109.728 -312.4884 145.3339 
1 1 1  -14   16   18 o  265.270  103.974   0.2246   0.3696   0.8055   0.5337  -0.3104   0.5122  401.639  128.084  230.654  105.894 170.9841 166.1900 
1 1 1  -14   16   19 o  228.137   97.453   0.0230   0.3623  -0.0428   0.5200   0.0852   0.5049  260.823  114.067  273.484  115.877 -12.66113 162.6002 
1 1 1  -14   16   20 o  608.891  115.964   1.8963   0.6260   1.7709   0.8536   2.0422   0.9208  567.256  157.784  606.919  161.898 -39.66254 226.0682 
1 1 1  -14   16   21 o  348.116  113.624   0.6048   0.4184   2.1421   0.6706  -0.3751   0.5354  643.048  117.669  227.898  105.909 415.1502 158.3122 
1 1 1  -14   16   22 o  449.190  132.678   1.1061   0.5864   1.2847   0.7714   0.8617   0.9024  474.767  154.241  416.619  162.703 58.14789 224.1932 
1 1 1  -14   16   23 o  309.349  118.565   0.4183   0.4726   0.9569   0.6867  -0.0661   0.6513  414.133  145.481  276.700  123.960 137.4330 191.1299 
1 1 1  -14   18    1 o  254.440   71.249   0.3226   0.1734   0.2514   0.2132   0.4616   0.2981  234.380   81.139  302.300   95.655 -67.92053 125.4330 
1 1 1  -14   18    2 o  154.600   66.605  -0.0035   0.1719   0.0386   0.2288  -0.0581   0.2604  185.510   78.268  179.345   79.483 6.164963 111.5504 
1 1 1  -14   18    3 o  630.451   47.164   1.8775   0.2716   1.9933   0.3899   1.7682   0.3787  641.475   67.040  602.666   69.559 38.80963 96.60612 
1 1 1  -14   18    4 o  128.372   60.166  -0.1699   0.1789  -0.0922   0.2928  -0.2162   0.2260  185.682   83.151  143.389   67.338 42.29338 106.9973 
1 1 1  -14   18    5 o  660.191   51.408   2.0664   0.3098   1.6075   0.4485   2.4852   0.4285  565.024   89.232  717.995   65.582 -152.9700 110.7397 
1 1 1  -14   18    6 o  214.202   83.493   0.1546   0.2373  -0.2743   0.3665   0.4642   0.3114  187.807   87.392  304.755   97.900 -116.9485 131.2318 
1 1 1  -14   18    7 o  465.217   65.146   1.0520   0.2712   1.1236   0.4544   1.0123   0.3380  461.702  108.758  448.243   85.068 13.45908 138.0756 
1 1 1  -14   18    8 o  602.966   82.227   1.8003   0.4443   0.9400   0.8546   2.1190   0.5202  423.233  160.098  651.065   89.169 -227.8321 183.2551 
1 1 1  -14   18    9 o  633.784   58.002   1.9169   0.3345   2.1691   0.5407   1.7605   0.4257  657.851   91.831  597.987   79.333 59.86444 121.3530 
1 1 1  -14   18   10 o  259.395   92.619   0.2980   0.2794   0.3036   0.4576   0.2946   0.3528  291.320  115.216  271.261  102.802 20.05914 154.4113 
1 1 1  -14   18   11 o  765.242   67.260   2.8124   0.4688   2.8144   0.6468   2.8102   0.6804  749.816   95.951  745.562  101.844 4.253662 139.9243 
1 1 1  -14   18   12 o  768.720   59.340   2.8082   0.4165   2.5333   0.6437   3.0061   0.5462  708.775  101.606  787.522   76.339 -78.74713 127.0882 
1 1 1  -14   18   13 o  248.456   98.065   0.1965   0.3309   0.3827   0.5385   0.0836   0.4193  319.932  125.479  250.421  105.824 69.51070 164.1455 
1 1 1  -14   18   14 o  499.807   82.199   1.2270   0.3649   0.4791   0.5614   1.7739   0.4801  340.459  129.531  599.820   89.747 -259.3605 157.5839 
1 1 1  -14   18   15 f  385.964  105.436   0.7542   0.3851   0.4622   0.6263   0.9316   0.4882  348.703  135.723  425.677  119.662 -76.97336 180.9414 
1 1 1  -14   18   16 o  686.438   75.513   2.2605   0.4691   1.8327   0.7797   2.5032   0.5872  587.170  145.144  716.353   91.151 -129.1830 171.3922 
1 1 1  -14   18   17 o  344.138  111.148   0.5763   0.4010   0.2634   0.5911   0.8430   0.5457  315.257  128.734  408.346  129.440 -93.08969 182.5571 
1 1 1  -14   18   18 o  442.226  100.710   0.9879   0.4006   2.2193   0.6329   0.1643   0.5176  665.576  106.957  286.376  119.048 379.1998 160.0380 
1 1 1  -14   18   19 o  718.868  101.087   2.5770   0.6502   2.1491   0.8507   3.1782   1.0083  628.000  149.384  768.724  147.917 -140.7236 210.2262 
1 1 1  -14   18   20 o  403.219  112.655   0.8478   0.4341   1.0678   0.5993   0.6049   0.6297  445.459  134.730  364.747  137.559 80.71213 192.5482 
1 1 1  -14   18   21 o  369.234  118.626   0.7132   0.4572   1.0978   0.6592   0.3568   0.6346  443.960  142.422  325.095  133.146 118.8650 194.9660 
1 1 1  -14   18   22 o  448.022  136.947   1.1472   0.6168   1.0245   0.8375   1.2926   0.9119  424.656  158.939  461.562  167.025 -36.90604 230.5622 
1 1 1  -14   20    1 o  204.131   82.080   0.1188   0.2361   0.1220   0.2444   0.0740   0.9117  207.212   83.447  326.897  146.538 -119.6848 168.6317 
1 1 1  -14   20    2 o  315.072   82.487   0.5084   0.2420   0.7399   0.3028   0.0996   0.4023  378.347   88.554  243.602  103.337 134.7446 136.0897 
1 1 1  -14   20    3 o  791.654   46.037   2.9580   0.3339   2.7569   0.4576   3.1871   0.4884  753.865   66.649  811.317   65.991 -57.45233 93.79182 
1 1 1  -14   20    4 o  330.444   83.324   0.5584   0.2533   1.1127   0.3949   0.1708   0.3302  463.292   95.790  239.597   96.815 223.6950 136.1943 
1 1 1  -14   20    5 o  229.573   84.363   0.2210   0.2339   0.1209   0.3750   0.2848   0.2993  241.614  100.962  257.617   95.295 -16.00299 138.8320 
1 1 1  -14   20    6 o  183.536   78.182   0.0233   0.2320  -0.1194   0.3479   0.1376   0.3113  199.497   89.885  229.304   93.506 -29.80707 129.7021 
1 1 1  -14   20    7 o  264.052   92.321   0.3226   0.2764   0.6196   0.4570   0.1513   0.3471  348.360  118.857  240.937   98.546 107.4223 154.3964 
1 1 1  -14   20    8 o  949.015   63.244   4.3142   0.5491   4.5312   1.2153   4.2586   0.6155  894.561  153.144  937.484   71.903 -42.92218 169.1835 
1 1 1  -14   20    9 o  317.293   94.717   0.5107   0.2976   0.9131   0.4891   0.2741   0.3751  412.889  120.950  270.562  105.106 142.3272 160.2380 
1 1 1  -14   20   10 o  1046.63   58.527   5.2021   0.5614   4.9383   0.7430   5.5530   0.8570  1005.51   80.993  1060.63   88.623 -55.12146 120.0578 
1 1 1  -14   20   11 o  330.744   99.761   0.5534   0.3289   1.2000   0.5539   0.2014   0.4088  473.076  125.272  265.500  107.565 207.5759 165.1158 
1 1 1  -14   20   12 o  220.914   92.302   0.0756   0.3134   0.6874   0.5416  -0.2324   0.3842  372.571  129.287  199.467   91.628 173.1041 158.4643 
1 1 1  -14   20   13 o  496.270   84.502   1.2152   0.3721   1.6090   0.6239   0.9978   0.4635  553.818  125.349  439.003  113.796 114.8145 169.2978 
1 1 1  -14   20   14 o  765.059   67.351   2.7876   0.4693   2.4523   0.7711   2.9849   0.5915  688.986  126.279  785.099   83.139 -96.11267 151.1902 
1 1 1  -14   20   15 o  466.743  106.035   1.1071   0.4450   2.6381   0.8647   0.5554   0.5191  709.328  137.447  349.981  126.108 359.3467 186.5339 
1 1 1  -14   20   16 o  731.694   75.179   2.5723   0.4990   1.3897   0.7674   3.4384   0.6567  507.259  152.247  841.811   85.991 -334.5517 174.8529 
1 1 1  -14   20   17 o  614.940   87.023   1.8560   0.4787   2.4963   0.8141   1.5176   0.5918  689.269  133.172  539.545  122.052 149.7249 180.6423 
1 1 1  -14   20   18 o  837.484   78.690   3.3978   0.5993   2.8626   0.8833   3.8544   0.8158  733.265  135.916  877.401  103.005 -144.1363 170.5378 
1 1 1  -14   20   19 o  445.302  152.879   1.0887   0.7563   1.3851   1.3247   0.9454   0.9211  494.164  195.851  430.512  165.404 63.65213 256.3515 
1 1 1  -14   20   20 o  233.976  104.794  -0.1017   0.4652   0.1844   0.7220  -0.3047   0.6083  315.464  136.206  247.393  114.236 68.07085 177.7698 
1 1 1  -14   20   21 o  333.743  132.318   0.4950   0.6049   1.2211   0.8480  -0.2573   0.8631  448.318  161.222  293.934  135.850 154.3837 210.8261 
1 1 1  -14   22    1 o  249.678   89.264   0.2847   0.2596   0.3408   0.3254   0.1865   0.4304  272.732   99.610  261.935  108.701 10.79745 147.4384 
1 1 1  -14   22    2 o  273.836   87.364   0.3748   0.2483   0.5510   0.3017   0.0049   0.4372  325.169   94.918  238.094  104.344 87.07529 141.0569 
1 1 1  -14   22    3 f  391.170   75.699   0.7695   0.2626   0.7884   0.3313   0.7375   0.4307  388.541   93.751  370.102  114.658 18.43927 148.1073 
1 1 1  -14   22    4 o  535.946   65.118   1.3987   0.3145   1.5980   0.4387   1.1881   0.4512  561.557   87.781  472.762  106.295 88.79483 137.8555 
1 1 1  -14   22    5 o  603.288   85.432   1.8277   0.4610   1.7718   0.5045   2.1106   1.1349  587.185   96.741  564.325  187.275 22.86041 210.7857 
1 1 1  -14   22    6 o  906.699   66.658   3.9696   0.5522   4.5294   0.6305   2.1250   1.1445  965.458   71.479  568.432  188.033 397.0261 201.1602 
1 1 1  -14   22    7 o  409.790  108.034   0.8901   0.4132   1.6470   1.0926   0.7638   0.4463  512.303  183.138  379.023  116.594 133.2805 217.1032 
1 1 1  -14   22    8 o  262.956   96.699   0.2971   0.3074   0.2749   0.4442   0.3175   0.4259  282.754  112.980  287.024  111.863 -4.270752 158.9903 
1 1 1  -14   22    9 o  397.850   95.441   0.8136   0.3449   0.6190   0.5156   0.9711   0.4640  354.336  125.899  427.720  115.285 -73.38361 170.7082 
1 1 1  -14   22   10 o  1141.21   63.361   6.2024   0.6627   5.6737   0.7982   7.3753   1.1890  1079.87   80.921  1207.09  108.198 -127.2202 135.1117 
1 1 1  -14   22   11 o  850.263   60.193   3.4305   0.4679   3.8301   0.7316   3.1541   0.6086  881.752   91.507  803.931   83.493 77.82056 123.8735 
1 1 1  -14   22   12 f  236.920   96.374   0.1361   0.3297   0.5324   0.5561  -0.0787   0.4093  347.786  129.641  225.770   99.874 122.0168 163.6505 
1 1 1  -14   22   13 o  463.040  103.952   1.0929   0.4321   0.4742   0.7946   1.3526   0.5148  369.862  149.929  512.797  112.220 -142.9350 187.2752 
1 1 1  -14   22   14 o  1384.99   56.911   9.0151   0.7253   9.6624   1.4158   8.7847   0.8445  1389.42  111.685  1361.42   67.413 27.99780 130.4535 
1 1 1  -14   22   15 o  280.347  107.633   0.2947   0.3899  -0.2920   0.6074   0.7059   0.5084  253.449  115.973  375.451  125.377 -122.0014 170.7892 
1 1 1  -14   22   16 o  206.707   94.795  -0.2341   0.4089  -0.0772   0.6131  -0.3599   0.5488  274.490  121.788  232.534  107.773 41.95631 162.6264 
1 1 1  -14   22   17 o  314.836  121.181   0.4059   0.4950  -0.0917   0.7198   0.8524   0.6818  292.115  130.628  405.828  144.713 -113.7130 194.9497 
1 1 1  -14   22   18 o  312.663  124.601   0.3710   0.5389   0.1489   0.7209   0.6523   0.8114  312.674  135.549  381.184  152.559 -68.51001 204.0780 
1 1 1  -14   22   19 o  234.804  106.628  -0.1593   0.5011   0.2293   0.7861  -0.4254   0.6505  325.320  141.287  244.716  114.707 80.60321 181.9878 
1 1 1  -14   22   20 o  361.346  125.355   0.7149   0.5091   1.3194   0.8694   0.3995   0.6280  455.191  163.294  319.789  131.884 135.4014 209.9011 
1 1 1  -14   24    1 o  219.866   88.974   0.1377   0.2793  -0.0316   0.3391   0.4951   0.4926  207.524   91.397  323.071  121.709 -115.5472 152.2055 
1 1 1  -14   24    2 o  391.841   89.954   0.7955   0.3175   0.8323   0.3968   0.7302   0.5291  393.972  106.794  369.173  127.815 24.79883 166.5578 
1 1 1  -14   24    3 o  438.775   79.387   0.9689   0.3087   1.6420   0.4118   0.1053   0.4665  573.533   80.226  258.818  110.572 314.7151 136.6108 
1 1 1  -14   24    4 o  810.141   56.198   3.1320   0.4163   3.0453   0.5612   3.2382   0.6210  785.548   78.693  805.775   85.034 -20.22748 115.8596 
1 1 1  -14   24    5 o  446.371   82.809   1.0043   0.3276   1.4152   0.4805   0.6475   0.4478  520.344  103.997  352.932  117.661 167.4114 157.0332 
1 1 1  -14   24    6 o  544.606   91.883   1.5042   0.4441   3.2858   1.2814   1.2611   0.4734  715.491  191.039  489.342  108.026 226.1494 219.4664 
1 1 1  -14   24    7 o  291.432   98.786   0.4091   0.3157   0.4936   0.4577   0.3324   0.4360  324.611  118.193  291.773  113.329 32.83768 163.7465 
1 1 1  -14   24    8 o  579.750   69.771   1.6296   0.3647   1.8558   0.5616   1.4646   0.4797  601.126  105.373  534.763  101.182 66.36353 146.0865 
1 1 1  -14   24    9 o  182.859   87.958  -0.5794   0.4347  -0.6235   0.4707  -0.3241   1.1324  190.056   91.448  341.435  157.011 -151.3791 181.7011 
1 1 1  -14   24   10 o  271.033  111.884   0.1735   0.4526   0.1397   0.4932   0.3541   1.1391  274.675  115.345  393.707  170.533 -119.0318 205.8784 
1 1 1  -14   24   11 o  274.280  118.921   0.0318   0.5550  -0.0361   0.6348   0.2525   1.1436  283.291  124.893  386.919  169.184 -103.6279 210.2895 
1 1 1  -14   24   12 o  818.562   96.860   3.3320   0.7154   2.4926   0.9067   4.7163   1.1645  672.207  150.356  942.043  138.465 -269.8359 204.4007 
1 1 1  -14   24   13 o  349.543  110.791   0.6175   0.3998   0.4440   0.6587   0.7186   0.5031  344.769  137.641  375.757  124.683 -30.98792 185.7175 
1 1 1  -14   24   14 o  1106.07   59.689   5.8050   0.6052   6.5767   0.9744   5.3201   0.7723  1153.60   92.570  1045.55   80.906 108.0469 122.9432 
1 1 1  -14   24   15 o  834.278   70.822   3.3631   0.5385   3.9511   0.8765   3.0066   0.6826  875.836  111.271  771.826   98.345 104.0093 148.5030 
1 1 1  -14   24   16 f  845.240   79.604   3.5144   0.6118   3.2189   0.8711   3.8021   0.8596  772.371  126.979  853.691  112.135 -81.32019 169.4052 
1 1 1  -14   24   17 o  300.091  120.000   0.3478   0.5016  -0.1764   0.7337   0.8076   0.6872  280.200  127.927  387.820  144.205 -107.6206 192.7709 
1 1 1  -14   24   18 o  368.081  141.781   0.7205   0.6780   1.0274   1.6530   0.6584   0.7434  435.568  196.114  363.393  145.818 72.17465 244.3835 
1 1 1  -14   24   19 o  426.616  128.264   1.0735   0.5443   2.1328   0.8712   0.3951   0.6972  571.286  159.584  322.110  136.301 249.1754 209.8692 
1 1 1  -14   26    1 o  519.282   79.818   1.3456   0.3692   1.1199   0.4489   1.8170   0.6488  458.768  108.118  575.229  126.064 -116.4600 166.0775 
1 1 1  -14   26    2 f  691.867   65.601   2.3149   0.4126   2.0570   0.5065   2.8237   0.7115  639.461   88.456  736.313  108.239 -96.85266 139.7859 
1 1 1  -14   26    3 o  622.985   68.594   1.8866   0.3867   1.8258   0.4803   1.9988   0.6521  601.926   89.427  610.186  120.415 -8.260010 149.9897 
1 1 1  -14   26    4 o  704.698   64.231   2.3910   0.4119   2.0193   0.5293   2.9620   0.6560  631.520   93.947  765.923   95.124 -134.4035 133.6963 
1 1 1  -14   26    5 o  537.543  107.722   1.5090   0.5143   2.5511   1.4042   1.3475   0.5527  610.478  208.339  499.751  121.387 110.7269 241.1225 
1 1 1  -14   26    6 o  423.862   91.011   0.9158   0.3444   1.1398   0.4859   0.6899   0.4881  463.046  114.650  365.880  122.841 97.16528 168.0316 
1 1 1  -14   26    7 o  1104.08   54.268   5.7513   0.5513   5.7077   0.7774   5.7955   0.7821  1082.87   78.549  1091.31   78.402 -8.442261 110.9810 
1 1 1  -14   26    8 o  329.533  124.347   0.4797   0.5147   0.7706   0.5873  -0.4842   1.0691  386.749  134.609  319.910  148.997 66.83896 200.7974 
1 1 1  -14   26    9 o  1008.16   69.498   4.8874   0.6408   4.2588   0.8990   5.5366   0.9136  912.642  109.217  1053.97   95.232 -141.3308 144.9051 
1 1 1  -14   26   10 o  719.630   76.637   2.5257   0.4997   2.7568   0.7907   2.3720   0.6447  722.052  123.440  680.002  106.537 42.04993 163.0569 
1 1 1  -14   26   11 o  417.880  113.072   0.9244   0.4453   1.3037   0.6680   0.6209   0.5975  482.991  141.312  360.905  134.417 122.0864 195.0310 
1 1 1  -14   26   12 o  1030.76   64.743   5.0934   0.6109   4.5234   0.8536   5.6920   0.8748  945.702   99.593  1070.65   89.617 -124.9459 133.9777 
1 1 1  -14   26   13 o  257.495  108.939   0.1178   0.4452   0.1494   0.6320   0.0867   0.6272  297.244  127.891  289.352  125.938 7.892120 179.4895 
1 1 1  -14   26   14 o  648.702   87.088   2.1206   0.5067   1.8619   0.7493   2.3386   0.6879  566.658  143.536  659.681  117.633 -93.02234 185.5805 
1 1 1  -14   26   15 o  421.211  132.389   1.0169   0.5719   0.8247   0.7093   1.3741   0.9668  387.711  146.047  464.009  171.344 -76.29868 225.1405 
1 1 1  -14   26   16 o  1082.68   96.575   6.0994   0.9520   6.5659   1.0816   4.4951   2.0059  1108.81  107.354  664.550  246.519 444.2608 268.8801 
1 1 1  -14   26   17 o  369.076  175.793   0.0491   1.6456   0.0000   0.0000   0.0491   1.6456  ?   ?   369.076  175.793 0.000000 175.7932 
1 1 1  -14   26   18 o  417.076  175.500   1.2452   1.1454   1.2452   1.1454   0.0000   0.0000  417.076  175.500  ?   ?  0.000000 175.5002 
1 1 1  -14   28    1 o  308.686  111.541   0.4616   0.4065   1.1807   0.5273  -0.5919   0.6382  460.874  122.303  229.993  109.527 230.8808 164.1772 
1 1 1  -14   28    2 f  860.754   69.449   3.6068   0.5454   3.4803   0.7177   3.7797   0.8389  825.198   96.338  847.918  110.122 -22.71930 146.3144 
1 1 1  -14   28    3 o  334.723  135.875   0.4450   0.6536   0.0000   0.0000   0.4450   0.6536  ?   ?   334.723  135.875 0.000000 135.8754 
1 1 1  -14   28    4 o  408.693  142.229   0.9267   0.6556   0.0000   0.0000   0.9267   0.6556  ?   ?   408.693  142.229 0.000000 142.2292 
1 1 1  -14   28    5 o  267.179  105.935   0.2545   0.3877   0.4639   0.5193  -0.0095   0.5829  322.912  124.163  269.519  119.206 53.39294 172.1234 
1 1 1  -14   28    6 o  233.741   99.367   0.0745   0.3734  -0.3067   0.4829   0.6413   0.5888  216.877  100.717  358.939  133.482 -142.0622 167.2170 
1 1 1  -14   28    7 o  324.046  125.522   0.4599   0.5337   0.3245   0.5810   1.1927   1.3515  310.047  127.235  460.285  191.947 -150.2383 230.2881 
1 1 1  -14   28    8 o  272.682  103.540   0.3101   0.3583  -0.0138   0.4693   0.7627   0.5547  244.579  107.625  378.029  130.871 -133.4505 169.4409 
1 1 1  -14   28    9 o  695.027   77.525   2.3876   0.4874   1.7977   0.6417   3.1913   0.7491  571.049  125.549  782.102  106.887 -211.0538 164.8860 
1 1 1  -14   28   10 o  412.138  114.177   0.9256   0.4479   0.9080   0.6308   0.9435   0.6361  402.774  139.544  408.908  140.222 -6.133606 197.8253 
1 1 1  -14   28   11 o  443.671  112.757   1.0768   0.4613   1.0797   0.6765   1.0743   0.6307  429.102  144.614  429.822  139.459 -0.7205200 200.9031 
1 1 1  -14   28   12 o  563.024  108.587   1.7103   0.5422   2.1062   0.8408   1.4284   0.7094  583.158  154.295  484.049  146.621 99.10898 212.8493 
1 1 1  -14   28   13 f  292.050  121.524   0.2958   0.5400  -0.2624   0.7489   0.9007   0.7796  269.696  125.307  392.439  151.786 -122.7433 196.8270 
1 1 1  -14   28   14 o  415.294  128.278   1.0306   0.5396   0.3774   0.6862   2.0885   0.8734  316.164  134.566  557.305  161.167 -241.1411 209.9593 
1 1 1  -14   28   15 o  260.849  112.538   0.1591   0.4921  -0.3554   0.6826   0.7159   0.7101  245.912  115.966  354.367  142.404 -108.4547 183.6489 
1 1 1  -14   28   16 o  620.823  139.862   2.4413   0.7798   3.4338   0.9773   0.7026   1.2936  722.968  151.750  368.437  168.832 354.5313 227.0071 
1 1 1  -14   30    1 o  278.230  123.986   0.0593   0.6424  -1.1785   1.2132   0.5416   0.7573  284.902  139.299  343.505  143.503 -58.60208 199.9932 
1 1 1  -14   30    2 o  436.049  145.514   1.1817   0.6849   4.2110   1.4824   0.3598   0.7722  732.508  209.427  326.578  140.933 405.9306 252.4316 
1 1 1  -14   30    3 o  490.900  105.758   1.3133   0.4636   1.3988   0.5838   1.1672   0.7628  489.470  128.129  430.816  153.122 58.65439 199.6587 
1 1 1  -14   30    4 f  510.398  101.302   1.3975   0.4590   1.4962   0.5745   1.2233   0.7632  511.254  123.500  440.298  153.441 70.95685 196.9680 
1 1 1  -14   30    5 o  373.893  121.216   0.7892   0.4765   0.7552   0.5087   1.0333   1.3624  366.449  125.393  420.851  184.323 -54.40231 222.9311 
1 1 1  -14   30    6 o  203.179   95.104  -0.3062   0.4445  -0.4502   0.4710   0.8634   1.3428  197.850   94.186  407.291  180.497 -209.4410 203.5928 
1 1 1  -14   30    7 o  494.410  110.737   1.3536   0.4913   1.7688   0.6892   0.9248   0.7005  542.468  137.803  394.072  145.777 148.3963 200.6005 
1 1 1  -14   30    8 o  464.947  116.618   1.2287   0.4981   1.3059   0.7246   1.1595   0.6857  452.490  149.611  430.685  145.599 21.80481 208.7642 
1 1 1  -14   30    9 o  584.445  103.430   1.8541   0.5359   2.5350   0.7988   1.2970   0.7226  648.901  138.028  448.143  149.466 200.7575 203.4497 
1 1 1  -14   30   10 o  235.786  105.227  -0.0129   0.4646   0.2198   0.6350  -0.2809   0.6814  290.621  126.601  252.499  118.052 38.12236 173.1013 
1 1 1  -14   30   11 o  716.021   99.802   2.7829   0.6397   1.8363   0.7962   4.5060   1.0743  518.727  154.940  853.160  141.820 -334.4332 210.0455 
1 1 1  -14   30   12 o  488.769  121.874   1.4405   0.5462   3.2732   0.8380   0.0867   0.7203  737.012  128.232  282.676  128.161 454.3363 181.2968 
1 1 1  -14   30   13 o  264.843  113.120   0.2320   0.4880  -0.1860   0.7283   0.5727   0.6575  259.536  121.564  324.420  134.466 -64.88455 181.2701 
1 1 1  -14   30   14 o  283.278  128.916   0.1378   0.7375   0.0000   0.0000   0.1378   0.7375  ?   ?   283.278  128.916 0.000000 128.9163 
1 1 1  -14   32    1 o  484.780  121.189   1.4607   0.5391   0.9003   0.6228   3.1357   1.0768  365.421  137.008  618.107  179.016 -252.6852 225.4277 
1 1 1  -14   32    2 o  400.090  128.524   1.0393   0.5367   0.9801   0.6352   1.1870   1.0031  379.690  139.093  389.330  164.050 -9.640259 215.0794 
1 1 1  -14   32    3 o  762.977   97.365   3.2137   0.6680   3.0800   0.8118   3.4940   1.1755  704.067  130.095  647.857  186.868 56.20966 227.6939 
1 1 1  -14   32    4 o  386.663  140.786   1.0162   0.6493   1.0162   0.6493   0.0000   0.0000  386.663  140.786  ?   ?  0.000000 140.7858 
1 1 1  -14   32    5 o  208.689   97.416  -0.2194   0.4611  -0.4648   0.5294   0.5521   0.9386  204.098   97.885  334.597  149.431 -130.4990 178.6364 
1 1 1  -14   32    6 o  315.446  122.709   0.5669   0.5118   0.6199   0.6239   0.4579   0.8946  327.080  132.760  323.734  145.137 3.345642 196.6975 
1 1 1  -14   32    7 o  234.722  105.706   0.0100   0.4805   0.2220   0.5962  -0.3832   0.8119  274.964  121.138  255.628  122.231 19.33510 172.0899 
1 1 1  -14   32    8 o  197.243   94.667  -0.4420   0.4972  -0.5231   0.6082  -0.2786   0.8633  214.251  103.306  266.516  127.048 -52.26465 163.7480 
1 1 1  -14   32    9 o  198.800   93.715  -0.2646   0.4451   0.1001   0.6116  -0.6750   0.6489  261.623  118.404  211.850  103.207 49.77330 157.0706 
1 1 1  -14   32   10 o  239.905  107.361   0.0755   0.4872   0.0657   0.6779   0.0861   0.7006  265.006  121.725  269.250  123.700 -4.244751 173.5473 
1 1 1  -14   32   11 o  307.818  154.175  -0.8117   1.8574  -0.8117   1.8574   0.0000   0.0000  307.818  154.175  ?   ?  0.000000 154.1747 
1 1 1  -14   34    1 o  193.344   95.591  -0.7578   0.6251  -0.8084   0.6689  -0.4093   1.7571  197.890   98.025  284.329  143.401 -86.43938 173.7026 
1 1 1  -14   34    2 o  326.974  135.164   0.8586   0.6618   0.9522   0.7070   0.1965   1.8813  335.705  139.314  302.162  151.870 33.54361 206.0895 
1 1 1  -14   34    3 o  314.993  129.085   0.7298   0.5969   0.9992   0.7339   0.2032   1.0261  341.667  141.875  282.665  135.754 59.00186 196.3611 
1 1 1  -14   34    4 f  259.190  113.231   0.3053   0.5112  -0.0626   0.6159   1.1202   0.9167  235.547  110.795  344.524  151.037 -108.9773 187.3170 
1 1 1  -14   34    5 o  275.258  116.596   0.4286   0.5110   0.8301   0.6063  -0.5555   0.9493  330.238  131.982  244.917  120.455 85.32076 178.6862 
1 1 1  -14   34    6 o  266.595  114.151   0.3671   0.4992   0.2011   0.6028   0.7294   0.8906  256.751  116.729  313.742  142.348 -56.99106 184.0887 
1 1 1  -14   34    7 o  390.329  175.422   2.1111   1.3155   0.7504   1.8923   3.3838   1.8300  320.170  159.630  407.325  191.397 -87.15509 249.2280 
1 1 1  -13    1    1 o  820.445   35.579   3.1017   0.2686   3.3571   0.3851   2.8598   0.3748  851.548   49.365  785.404   52.156 66.14392 71.81329 
1 1 1  -13    1    2 o  3226.50   29.909   47.947   0.8880   48.685   1.2770   47.255   1.2356  3249.47   42.708  3201.52   41.942 47.95313 59.85880 
1 1 1  -13    1    3 o  2202.92   31.118   22.352   0.6308   22.518   0.8959   22.188   0.8883  2209.87   44.056  2193.66   44.008 16.21924 62.27107 
1 1 1  -13    1    4 o  2248.00   31.925   23.276   0.6604   22.859   0.9213   23.717   0.9471  2226.56   44.966  2267.91   45.383 -41.35059 63.88726 
1 1 1  -13    1    5 o  2077.44   33.388   19.879   0.6382   19.251   0.8911   20.540   0.9146  2043.18   47.395  2110.49   47.096 -67.31274 66.81549 
1 1 1  -13    1    6 o  551.977   50.695   1.4172   0.2546   1.7209   0.3687   1.1405   0.3520  606.514   67.192  489.889   80.917 116.6250 105.1779 
1 1 1  -13    1    7 o  1541.19   37.398   10.945   0.5304   11.148   0.7589   10.750   0.7415  1554.27   53.061  1526.32   52.797 27.94385 74.85275 
1 1 1  -13    1    8 o  1924.55   43.870   17.082   0.7769   15.132   1.2673   18.256   0.9833  1807.03   76.219  1988.39   53.743 -181.3564 93.26144 
1 1 1  -13    1    9 o  1028.66   52.661   4.9032   0.4968   4.4865   0.5924   5.8905   0.9119  981.815   65.956  1120.78   89.158 -138.9651 110.9025 
1 1 1  -13    1   10 o  1650.59   37.577   12.575   0.5707   12.701   0.9045   12.492   0.7356  1654.82   59.404  1643.35   48.648 11.46460 76.78144 
1 1 1  -13    1   11 o  392.591   82.774   0.7502   0.2896   0.5095   0.3998   1.0160   0.4201  333.784  111.164  453.992  102.938 -120.2076 151.5048 
1 1 1  -13    1   12 o  1785.86   44.199   14.783   0.7263   15.476   1.0376   14.117   1.0171  1820.76   61.929  1738.31   63.585 82.45337 88.75975 
1 1 1  -13    1   13 o  259.810   89.940   0.2957   0.2620   0.0102   0.3637   0.6037   0.3778  227.551   97.434  351.026  107.150 -123.4748 144.8256 
1 1 1  -13    1   14 o  261.027   86.044   0.3152   0.2397   0.2499   0.3068   0.4175   0.3842  256.427   96.155  307.033  108.717 -50.60547 145.1379 
1 1 1  -13    1   15 o  252.746   84.868   0.2921   0.2330   0.5352   0.3136  -0.0074   0.3480  328.376   97.037  218.741   94.505 109.6342 135.4531 
1 1 1  -13    1   16 o  824.772   47.529   3.1837   0.3592   3.5957   0.4872   2.6931   0.5317  871.979   61.103  747.275   78.494 124.7041 99.47305 
1 1 1  -13    1   17 f  861.611   44.271   3.4647   0.3498   2.8456   0.4686   4.2442   0.5258  773.580   66.471  948.216   60.575 -174.6361 89.93190 
1 1 1  -13    1   18 o  227.197   89.317   0.1563   0.2734   0.3251   0.3937  -0.0009   0.3800  288.897  108.812  229.411   98.936 59.48582 147.0663 
1 1 1  -13    1   19 o  328.914   92.620   0.5351   0.2922   0.7395   0.4047   0.3124   0.4224  383.587  109.345  292.613  112.108 90.97333 156.6031 
1 1 1  -13    1   20 o  291.893  102.933   0.3695   0.3440   0.8080   0.4884  -0.0624   0.4847  402.515  121.601  251.316  110.012 151.1983 163.9801 
1 1 1  -13    1   21 o  719.166   71.925   2.4534   0.4696   2.7261   0.6749   2.1976   0.6537  748.297  100.569  666.858  110.402 81.43866 149.3412 
1 1 1  -13    1   22 o  530.266   74.920   1.3492   0.3554   1.2459   0.5136   1.4441   0.4922  497.275  114.601  540.071  102.802 -42.79657 153.9538 
1 1 1  -13    1   23 o  725.457   92.659   2.5579   0.6044   2.5747   0.8377   2.5396   0.8729  708.919  133.311  700.288  140.352 8.630127 193.5734 
1 1 1  -13    1   24 o  364.141  109.362   0.6649   0.3959   0.4713   0.5288   0.9117   0.5971  336.544  126.231  422.302  135.563 -85.75821 185.2338 
1 1 1  -13    1   25 o  205.425   93.026  -0.1646   0.3782   0.2474   0.5574  -0.5161   0.5148  302.711  124.475  210.821   99.808 91.89008 159.5482 
1 1 1  -13    1   26 o  384.186  116.016   0.7780   0.4446   1.0829   0.6312   0.4776   0.6264  443.050  139.048  341.561  134.898 101.4887 193.7312 
1 1 1  -13    3    1 o  1798.61   30.644   14.900   0.5072   14.661   0.7110   15.148   0.7237  1783.12   43.330  1812.51   43.392 -29.38318 61.32177 
1 1 1  -13    3    2 o  1577.57   31.278   11.463   0.4540   11.211   0.6368   11.724   0.6475  1559.24   44.385  1594.52   44.133 -35.27063 62.59179 
1 1 1  -13    3    3 o  2381.28   30.884   26.117   0.6767   26.353   0.9659   25.888   0.9484  2390.75   43.905  2369.62   43.497 21.13208 61.80294 
1 1 1  -13    3    4 o  1025.27   35.725   4.8429   0.3370   4.5390   0.4743   5.1528   0.4790  990.442   52.230  1056.91   49.251 -66.46991 71.78869 
1 1 1  -13    3    5 o  698.093   42.822   2.2549   0.2737   2.2363   0.3827   2.2743   0.3917  693.229   60.603  699.033   61.528 -5.804688 86.36208 
1 1 1  -13    3    6 o  1745.66   35.724   14.039   0.5738   13.720   0.8052   14.369   0.8180  1724.51   50.744  1764.86   50.369 -40.35217 71.49808 
1 1 1  -13    3    7 o  603.210   59.682   1.6971   0.3269   2.4912   0.6000   1.3618   0.3899  726.791   91.761  536.057   81.618 190.7343 122.8075 
1 1 1  -13    3    8 o  1740.87   37.917   13.971   0.6074   13.764   1.1972   14.042   0.7048  1722.96   75.512  1744.75   43.902 -21.78284 87.34657 
1 1 1  -13    3    9 o  263.485   86.709   0.3100   0.2435   0.6023   0.3664   0.0790   0.3258  355.339  104.865  230.728   95.054 124.6109 141.5340 
1 1 1  -13    3   10 o  1206.70   40.132   6.7261   0.4456   7.6761   0.7263   6.1526   0.5643  1285.67   61.392  1152.37   53.217 133.3018 81.24664 
1 1 1  -13    3   11 o  1104.10   41.165   5.6396   0.4182   5.6402   0.5399   5.6387   0.6612  1102.12   53.242  1097.45   65.778 4.663086 84.62574 
1 1 1  -13    3   12 o  1327.67   46.161   8.1792   0.5639   7.5332   0.7643   8.9512   0.8355  1267.03   65.781  1382.93   65.658 -115.9077 92.94193 
1 1 1  -13    3   13 o  453.802   66.218   0.9865   0.2684   1.3924   0.3922   0.6293   0.3680  535.866   82.171  356.583  105.043 179.2830 133.3648 
1 1 1  -13    3   14 o  616.354   50.428   1.7842   0.2835   1.6236   0.3706   2.0107   0.4402  582.031   70.640  646.856   75.371 -64.82544 103.2997 
1 1 1  -13    3   15 o  1215.86   39.337   6.8663   0.4401   7.5449   0.5989   6.0695   0.6489  1270.34   51.231  1133.42   62.465 136.9259 80.78618 
1 1 1  -13    3   16 o  488.681   65.593   1.1466   0.2875   1.1480   0.3824   1.1447   0.4360  480.820   89.741  475.372  102.673 5.448059 136.3646 
1 1 1  -13    3   17 o  310.157   92.042   0.4740   0.2817   0.3939   0.3609   0.5990   0.4506  297.599  105.367  351.910  118.027 -54.31110 158.2166 
1 1 1  -13    3   18 o  313.960   93.249   0.4849   0.2890   0.6896   0.3813   0.2086   0.4430  370.185  106.328  277.738  112.173 92.44711 154.5590 
1 1 1  -13    3   19 o  646.336   62.538   1.9781   0.3673   2.7062   0.5103   1.1952   0.5291  752.755   74.650  483.034  119.659 269.7208 141.0348 
1 1 1  -13    3   20 o  174.960   82.379  -0.3529   0.3420  -0.5025   0.4748  -0.1916   0.4931  203.808   96.296  238.649  107.314 -34.84134 144.1851 
1 1 1  -13    3   21 o  904.322   59.613   3.8345   0.4933   4.1244   0.7461   3.6094   0.6575  927.879   88.454  869.545   83.188 58.33411 121.4264 
1 1 1  -13    3   22 o  560.795   75.146   1.5071   0.3780   1.3885   0.5357   1.6248   0.5335  525.404  114.077  572.633  105.125 -47.22968 155.1282 
1 1 1  -13    3   23 o  391.101  127.593   0.7511   0.5276   1.3055   0.7418   0.1835   0.7507  499.179  149.656  335.516  141.675 163.6632 206.0790 
1 1 1  -13    3   24 o  671.594   71.909   2.1618   0.4375   2.3120   0.6207   2.0135   0.6167  681.679  102.093  631.539  110.129 50.14087 150.1708 
1 1 1  -13    3   25 o  368.882  110.128   0.6985   0.4023   0.3134   0.5655   1.0931   0.5725  312.985  126.619  451.938  130.428 -138.9525 181.7794 
1 1 1  -13    3   26 o  476.194  106.310   1.1859   0.4540   1.1799   0.6386   1.1920   0.6457  460.270  139.048  462.225  139.857 -1.954895 197.2168 
1 1 1  -13    5    1 o  945.951   32.784   4.1220   0.2854   4.4932   0.4148   3.7885   0.3932  987.045   45.669  905.027   47.382 82.01880 65.80818 
1 1 1  -13    5    2 o  1679.93   30.890   12.998   0.4775   12.482   0.6668   13.541   0.6841  1645.34   44.044  1713.76   43.380 -68.41650 61.81992 
1 1 1  -13    5    3 o  1893.59   31.474   16.515   0.5484   17.333   0.8012   15.794   0.7522  1938.80   44.912  1850.83   44.168 87.96887 62.99139 
1 1 1  -13    5    4 o  2697.19   31.925   33.507   0.7923   33.198   1.1279   33.809   1.1134  2683.14   45.682  2707.86   44.683 -24.72241 63.90159 
1 1 1  -13    5    5 o  1937.19   34.103   17.287   0.6079   17.683   0.8761   16.920   0.8441  1957.94   48.630  1915.34   47.897 42.60107 68.25657 
1 1 1  -13    5    6 o  1580.55   35.201   11.510   0.5120   11.979   1.0272   11.355   0.5905  1609.15   69.371  1569.47   40.890 39.67896 80.52526 
1 1 1  -13    5    7 o  3151.93   34.905   45.780   1.0123   42.684   1.8720   47.060   1.2035  3037.03   66.987  3194.73   40.940 -157.7009 78.50712 
1 1 1  -13    5    8 o  1338.84   32.465   8.2612   0.3999   8.5233   0.5717   8.0099   0.5597  1358.76   45.724  1317.16   46.182 41.60242 64.98862 
1 1 1  -13    5    9 o  1840.23   39.991   15.635   0.6772   15.411   0.9546   15.861   0.9608  1823.78   56.882  1850.32   56.430 -26.54004 80.12449 
1 1 1  -13    5   10 o  1410.25   38.461   9.1897   0.4991   9.8022   0.6659   8.4048   0.7539  1454.37   49.761  1344.30   60.944 110.0688 78.67841 
1 1 1  -13    5   11 o  1062.76   38.952   5.2252   0.3809   5.4002   0.5476   5.0611   0.5302  1075.99   55.496  1041.56   55.523 34.42822 78.50248 
1 1 1  -13    5   12 o  293.433   95.509   0.4020   0.2957   0.4463   0.4143   0.3561   0.4222  319.297  112.923  302.351  112.910 16.94568 159.6875 
1 1 1  -13    5   13 o  1061.56   41.795   5.2323   0.4083   5.2875   0.5762   5.1766   0.5785  1060.73   59.272  1049.18   60.176 11.55176 84.46495 
1 1 1  -13    5   14 o  312.701   88.504   0.4841   0.2661   0.3352   0.3625   0.6582   0.3919  285.157  104.985  362.313  108.816 -77.15564 151.2051 
1 1 1  -13    5   15 o  851.601   49.334   3.3990   0.3849   3.3936   0.5298   3.4049   0.5602  843.692   68.844  843.328   72.912 0.3646240 100.2774 
1 1 1  -13    5   16 o  767.893   50.478   2.7678   0.3547   3.0044   0.4665   2.4437   0.5461  795.388   64.287  708.218   85.524 87.16968 106.9914 
1 1 1  -13    5   17 o  564.698   61.532   1.5173   0.3146   1.8715   0.4293   1.1065   0.4623  622.635   76.537  465.176  109.764 157.4589 133.8138 
1 1 1  -13    5   18 o  193.260   83.912  -0.0252   0.2771   0.1441   0.3770  -0.2241   0.4087  251.737  102.808  209.420   95.562 42.31717 140.3625 
1 1 1  -13    5   19 o  260.091   97.430   0.2567   0.3148   0.5280   0.4258  -0.0705   0.4676  336.621  114.728  244.930  107.611 91.69081 157.2980 
1 1 1  -13    5   20 o  717.504   66.408   2.4342   0.4335   2.2432   0.5884   2.6608   0.6410  678.268   97.038  739.940   96.443 -61.67230 136.8123 
1 1 1  -13    5   21 o  1153.77   57.668   6.2116   0.6122   6.3251   0.8048   6.0556   0.9432  1155.98   76.087  1123.76   92.026 32.22314 119.4069 
1 1 1  -13    5   22 o  520.147   85.303   1.3160   0.3941   1.3481   0.5133   1.2699   0.6151  518.138  111.013  496.958  132.202 21.17981 172.6306 
1 1 1  -13    5   23 o  314.251  128.257   0.2555   0.5863   0.2844   0.7050   0.1906   1.0559  338.741  139.718  382.483  164.929 -43.74146 216.1543 
1 1 1  -13    5   24 o  848.621   62.667   3.4130   0.4859   3.3544   0.6925   3.4698   0.6819  827.354   92.548  843.378   89.225 -16.02435 128.5543 
1 1 1  -13    5   25 o  381.238  111.512   0.7543   0.4160   1.0061   0.5837   0.4945   0.5930  432.977  133.369  342.916  132.452 90.06079 187.9651 
1 1 1  -13    5   26 o  481.950  113.146   1.2354   0.4932   3.1211   0.8235   0.1809   0.6158  767.604  120.564  299.420  127.460 468.1844 175.4471 
1 1 1  -13    7    1 o  2024.80   73.532   18.989   1.3700   0.0000   0.0000   18.989   1.3700  ?   ?   2024.80   73.532 0.000000 73.53158 
1 1 1  -13    7    2 o  2109.72   42.522   20.522   0.8255   0.0000   0.0000   20.522   0.8255  ?   ?   2109.72   42.522 0.000000 42.52248 
1 1 1  -13    7    3 o  2745.35   35.038   34.727   0.8851   32.587   1.4207   36.084   1.1315  2656.04   58.131  2797.31   43.961 -141.2749 72.88197 
1 1 1  -13    7    4 o  2011.81   31.092   18.643   0.5756   20.970   1.1957   17.941   0.6567  2130.16   61.001  1973.17   36.167 156.9878 70.91645 
1 1 1  -13    7    5 o  752.930   39.686   2.6207   0.2740   2.3652   0.5377   2.7103   0.3184  708.999   84.052  765.177   45.429 -56.17749 95.54316 
1 1 1  -13    7    6 o  2831.80   27.359   36.934   0.7129   37.741   1.0260   36.180   0.9913  2861.00   38.972  2801.30   38.459 59.70044 54.75307 
1 1 1  -13    7    7 o  2628.53   28.734   31.833   0.6950   32.432   0.9951   31.263   0.9711  2651.23   40.790  2603.04   40.542 48.18579 57.51075 
1 1 1  -13    7    8 o  1176.46   33.608   6.3836   0.3638   6.4655   0.5156   6.3023   0.5134  1182.55   47.387  1167.48   47.791 15.06665 67.30174 
1 1 1  -13    7    9 o  988.328   39.928   4.5143   0.3631   4.1205   0.4657   5.1247   0.5799  940.974   54.016  1048.33   60.366 -107.3583 81.00517 
1 1 1  -13    7   10 o  291.240   95.396   0.3899   0.2948   0.0082   0.3947   0.8721   0.4435  237.588  101.609  418.840  112.638 -181.2521 151.6964 
1 1 1  -13    7   11 o  807.296   43.955   3.0317   0.3253   3.0190   0.4597   3.0444   0.4603  801.053   62.873  804.488   62.682 -3.434753 88.78055 
1 1 1  -13    7   12 o  868.170   55.302   3.5345   0.4395   3.4220   0.5970   3.6676   0.6494  846.542   77.498  874.919   81.601 -28.37659 112.5375 
1 1 1  -13    7   13 o  392.766   75.196   0.7553   0.2619   0.7813   0.3740   0.7302   0.3668  393.098  102.374  380.357  102.492 12.74078 144.8624 
1 1 1  -13    7   14 o  826.335   48.182   3.1982   0.3648   3.0986   0.4967   3.3149   0.5375  806.474   67.549  832.953   70.798 -26.47919 97.85326 
1 1 1  -13    7   15 o  798.925   52.278   3.0012   0.3822   3.0673   0.5429   2.9362   0.5381  798.932   74.718  781.050   75.833 17.88184 106.4587 
1 1 1  -13    7   16 o  746.399   54.633   2.6251   0.3726   2.1652   0.4980   3.2101   0.5616  667.084   82.925  817.435   75.518 -150.3500 112.1585 
1 1 1  -13    7   17 o  301.815  107.309   0.4046   0.3747   0.3629   0.6124   0.4295   0.4736  331.389  132.567  320.902  119.642 10.48737 178.5730 
1 1 1  -13    7   18 o  791.016   53.198   2.9375   0.3850   2.8886   0.5075   3.0036   0.5908  778.112   71.683  789.081   82.594 -10.96967 109.3628 
1 1 1  -13    7   19 o  242.463   93.826   0.1936   0.2980   0.1202   0.3834   0.3057   0.4735  250.259  103.110  301.447  117.821 -51.18794 156.5678 
1 1 1  -13    7   20 o  684.070   69.986   2.2209   0.4343   2.2675   0.5957   2.1682   0.6346  681.725   97.761  662.415  107.824 19.30933 145.5446 
1 1 1  -13    7   21 o  482.935   88.187   1.1410   0.3774   1.2957   0.5074   0.9494   0.5647  507.967  111.608  434.100  130.676 73.86703 171.8506 
1 1 1  -13    7   22 o  837.783   73.276   3.3357   0.5592   2.8398   0.7095   4.1488   0.9085  760.138  104.182  918.029  109.724 -157.8907 151.3053 
1 1 1  -13    7   23 o  201.257   94.170  -0.3841   0.4351  -0.2112   0.5435  -0.6924   0.7259  247.999  111.985  251.906  119.035 -3.906723 163.4317 
1 1 1  -13    7   24 o  647.760   82.771   2.0488   0.4821   2.1559   0.6447   1.9130   0.7260  650.238  111.781  598.884  134.978 51.35388 175.2543 
1 1 1  -13    7   25 o  402.854  114.679   0.8561   0.4455   0.8964   0.5842   0.8002   0.6886  409.846  134.288  396.998  144.917 12.84848 197.5703 
1 1 1  -13    9    1 o  746.658   71.529   2.6091   0.4854   3.1095   0.7168   2.1851   0.6598  810.238   98.141  674.411  110.116 135.8268 147.5036 
1 1 1  -13    9    2 o  1038.23   32.268   4.9673   0.3083   4.6778   0.4418   5.2421   0.4304  1006.57   47.697  1065.84   43.882 -59.27637 64.81250 
1 1 1  -13    9    3 o  2284.02   27.047   24.029   0.5684   24.533   0.9478   23.745   0.7104  2305.63   44.676  2269.76   34.012 35.87085 56.14928 
1 1 1  -13    9    4 o  2811.77   25.228   36.412   0.6527   36.481   0.9282   36.346   0.9180  2812.92   35.862  2807.75   35.534 5.170654 50.48486 
1 1 1  -13    9    5 o  1867.78   27.180   16.072   0.4671   15.816   0.6607   16.328   0.6606  1851.56   38.779  1881.39   38.156 -29.82642 54.40318 
1 1 1  -13    9    6 o  1318.14   37.167   8.0169   0.4508   8.4898   1.0191   7.9018   0.5026  1346.42   82.658  1308.15   41.758 38.26965 92.60730 
1 1 1  -13    9    7 o  136.376   63.500  -0.1778   0.1940  -0.3572   0.4152  -0.1277   0.2194  200.564   93.225  155.564   70.608 45.00053 116.9466 
1 1 1  -13    9    8 o  1075.08   37.442   5.3408   0.3704   5.5512   0.4953   5.0739   0.5579  1094.34   49.191  1043.08   58.355 51.25952 76.32203 
1 1 1  -13    9    9 o  1433.98   34.668   9.5027   0.4574   9.3986   0.6429   9.6094   0.6510  1422.94   49.099  1438.80   49.174 -15.85596 69.48978 
1 1 1  -13    9   10 o  565.182   54.907   1.5022   0.2819   1.7276   0.3969   1.2728   0.4005  601.732   73.199  510.806   88.418 90.92532 114.7862 
1 1 1  -13    9   11 o  259.482   84.069   0.3136   0.2292   0.3380   0.3264   0.2899   0.3220  280.944  100.135  269.040   98.964 11.90396 140.7865 
1 1 1  -13    9   12 o  344.974   96.474   0.5948   0.3182   0.6786   0.4236   0.4863   0.4820  368.374  113.642  333.217  121.301 35.15738 166.2180 
1 1 1  -13    9   13 o  774.227   49.640   2.8125   0.3518   3.6022   0.5227   2.1585   0.4756  870.555   65.733  667.632   78.951 202.9229 102.7334 
1 1 1  -13    9   14 o  729.151   53.864   2.5068   0.3588   2.9647   0.5234   2.1005   0.4929  785.585   73.245  655.870   83.579 129.7158 111.1316 
1 1 1  -13    9   15 o  375.234   87.592   0.7061   0.2969   0.5537   0.4193   0.8595   0.4206  338.238  113.850  408.783  109.579 -70.54529 158.0175 
1 1 1  -13    9   16 o  922.458   51.984   3.9952   0.4395   3.9925   0.6069   3.9982   0.6372  913.438   72.811  912.234   76.615 1.204102 105.6948 
1 1 1  -13    9   17 o  955.283   51.915   4.2795   0.4546   4.9803   0.6639   3.6607   0.6239  1022.59   70.995  872.604   78.538 149.9817 105.8702 
1 1 1  -13    9   18 o  1769.62   44.373   14.564   0.7225   13.426   0.9907   15.858   1.0560  1689.43   63.732  1836.87   62.480 -147.4482 89.24951 
1 1 1  -13    9   19 o  224.732   94.105   0.0609   0.3268  -0.0663   0.4509   0.2015   0.4741  241.444  105.888  284.972  115.710 -43.52763 156.8477 
1 1 1  -13    9   20 o  802.087   72.275   3.0520   0.5277   2.4262   0.6936   3.9119   0.8130  699.700  111.477  897.280  100.184 -197.5797 149.8794 
1 1 1  -13    9   21 o  772.583   64.037   2.8168   0.4511   2.9657   0.5941   2.6139   0.6933  786.226   83.398  728.242  106.620 57.98450 135.3624 
1 1 1  -13    9   22 o  521.854  105.002   1.3653   0.4867   1.6464   0.6701   1.0512   0.7082  563.357  131.634  453.538  147.817 109.8186 197.9327 
1 1 1  -13    9   23 o  255.130  106.438   0.1106   0.4158   0.0506   0.5021   0.2417   0.7421  267.088  114.423  336.532  141.417 -69.44470 181.9104 
1 1 1  -13    9   24 o  319.940  114.946   0.4701   0.4309   0.0654   0.5479   1.1263   0.6978  276.382  118.996  455.278  146.581 -178.8961 188.8013 
1 1 1  -13    9   25 o  184.019   88.233  -0.5308   0.4296  -0.7671   0.5718  -0.2246   0.6508  205.724   99.433  264.449  120.639 -58.72508 156.3357 
1 1 1  -13   11    1 o  480.142   47.875   1.0773   0.2087   1.1266   0.2250   0.7737   0.5582  490.694   50.559  405.290  131.169 85.40326 140.5753 
1 1 1  -13   11    2 o  1176.05   27.691   6.3754   0.2997   6.3109   0.3852   6.4744   0.4769  1169.35   35.800  1183.47   43.794 -14.12219 56.56487 
1 1 1  -13   11    3 o  1970.21   24.583   17.886   0.4457   18.691   0.6480   17.163   0.6139  2012.53   34.994  1928.57   34.595 83.96167 49.20714 
1 1 1  -13   11    4 o  155.005   61.663   0.0579   0.1318  -0.0158   0.1947   0.1203   0.1790  164.649   70.907  191.871   73.110 -27.22229 101.8474 
1 1 1  -13   11    5 o  1122.09   31.780   5.8097   0.3281   5.6833   0.4422   5.9647   0.4895  1108.43   43.354  1135.03   46.870 -26.59192 63.84650 
1 1 1  -13   11    6 o  1023.97   34.080   4.8423   0.3211   4.9415   0.4332   4.7211   0.4784  1032.88   45.575  1007.31   51.793 25.57520 68.98997 
1 1 1  -13   11    7 o  646.883   43.254   1.9472   0.2560   1.6945   0.3377   2.2887   0.3925  599.483   62.119  697.716   61.772 -98.23340 87.60397 
1 1 1  -13   11    8 o  739.189   40.268   2.5384   0.2729   2.2226   0.3734   2.9004   0.3998  687.463   59.612  787.002   55.559 -99.53900 81.48868 
1 1 1  -13   11    9 f  1385.35   43.654   8.9104   0.5565   8.6302   0.7812   9.1990   0.7929  1356.95   62.567  1401.40   61.486 -44.44385 87.72173 
1 1 1  -13   11   10 o  707.490   47.257   2.3409   0.3059   2.5712   0.4347   2.1151   0.4305  736.540   64.804  665.360   71.426 71.17999 96.44312 
1 1 1  -13   11   11 o  249.751   93.957   0.2365   0.2934   0.4731   0.6813   0.1827   0.3251  356.827  140.757  245.588   97.118 111.2388 171.0101 
1 1 1  -13   11   12 o  291.217  108.551   0.3480   0.3899   0.1217   0.5976   0.5156   0.5144  295.320  125.634  340.382  125.094 -45.06137 177.2920 
1 1 1  -13   11   13 o  530.868   64.599   1.3524   0.3091   1.2396   0.4121   1.4973   0.4672  497.157   93.517  546.251   96.475 -49.09412 134.3606 
1 1 1  -13   11   14 o  1268.35   46.637   7.5145   0.5443   7.8419   0.8502   7.2872   0.7085  1280.31   72.466  1241.86   62.002 38.45264 95.37081 
1 1 1  -13   11   15 o  326.582   94.591   0.5337   0.3006   0.6886   0.4186   0.3687   0.4321  368.363  112.848  301.872  113.924 66.49075 160.3533 
1 1 1  -13   11   16 o  318.123   98.773   0.4981   0.3194   0.8451   0.4606   0.1766   0.4434  405.088  117.014  271.391  111.240 133.6978 161.4512 
1 1 1  -13   11   17 o  290.693  100.591   0.3836   0.3277   0.6795   0.4744   0.1134   0.4533  370.592  120.986  264.770  110.851 105.8222 164.0898 
1 1 1  -13   11   18 f  1259.61   49.187   7.3932   0.5701   9.1830   0.8523   5.9442   0.7669  1396.62   66.324  1117.85   74.992 278.7694 100.1134 
1 1 1  -13   11   19 o  1020.46   59.544   4.8872   0.5567   4.5274   0.8297   5.1819   0.7508  967.764   94.368  1043.32   78.787 -75.55237 122.9333 
1 1 1  -13   11   20 o  1679.22   60.010   13.193   0.9272   11.817   1.2830   14.699   1.3416  1571.25   89.105  1759.17   82.881 -187.9159 121.6921 
1 1 1  -13   11   21 o  961.790   55.509   4.3362   0.4892   3.8072   0.6323   5.1249   0.7720  893.004   77.724  1035.11   81.720 -142.1084 112.7791 
1 1 1  -13   11   22 o  669.104   90.726   2.1918   0.5442   2.3747   0.7214   1.9501   0.8290  683.054  119.101  601.730  150.194 81.32397 191.6852 
1 1 1  -13   11   23 o  639.542  100.823   2.0539   0.5737   2.7089   0.7484   1.1205   0.8934  727.331  115.694  460.566  165.496 266.7645 201.9261 
1 1 1  -13   11   24 o  293.434  111.608   0.3549   0.4167   0.4061   0.5531   0.2876   0.6339  322.022  126.889  317.336  131.819 4.686493 182.9680 
1 1 1  -13   11   25 o  540.378  121.092   1.5871   0.5872   2.0798   0.7624   0.8686   0.9206  606.297  139.551  411.371  163.196 194.9261 214.7260 
1 1 1  -13   13    1 o  803.660   33.278   2.9856   0.2461   2.8893   0.3379   3.0943   0.3591  787.429   46.846  814.692   48.118 -27.26337 67.15588 
1 1 1  -13   13    2 o  1109.84   29.203   5.6869   0.2982   5.8543   0.4808   5.5822   0.3802  1123.04   46.526  1098.31   37.622 24.73376 59.83386 
1 1 1  -13   13    3 o  1047.89   31.978   5.0734   0.3083   4.9213   0.4809   5.1796   0.4018  1028.76   50.800  1057.31   41.301 -28.54883 65.47056 
1 1 1  -13   13    4 o  673.538   38.580   2.1070   0.2381   2.1452   0.3807   2.0825   0.3051  674.689   62.022  667.446   50.049 7.243286 79.69749 
1 1 1  -13   13    5 o  1535.25   32.042   10.893   0.4527   10.283   0.7228   11.287   0.5806  1485.85   52.863  1560.69   40.431 -74.84033 66.55209 
1 1 1  -13   13    6 o  675.615   40.268   2.1234   0.2492   2.1329   0.3893   2.1169   0.3244  671.639   63.756  671.903   52.891 -0.2644653 82.83878 
1 1 1  -13   13    7 o  937.566   36.371   4.0715   0.3138   3.6448   0.4379   4.5218   0.4499  881.903   54.223  983.956   49.849 -102.0530 73.65456 
1 1 1  -13   13    8 f  800.468   39.970   2.9744   0.2944   3.0525   0.4242   2.9019   0.4089  805.109   57.646  785.103   56.988 20.00623 81.05968 
1 1 1  -13   13    9 o  430.337   81.449   0.9127   0.3107   0.3013   0.4292   1.5861   0.4504  290.120  112.510  567.559   89.183 -277.4384 143.5695 
1 1 1  -13   13   10 o  879.338   41.713   3.5991   0.3375   2.8827   0.4521   4.5012   0.5073  778.634   63.658  977.083   56.667 -198.4484 85.22614 
1 1 1  -13   13   11 o  345.096   80.896   0.5950   0.2524   1.1472   0.3680   0.1045   0.3468  480.356   86.441  235.386   97.621 244.9697 130.3912 
1 1 1  -13   13   12 o  649.227   70.256   2.0311   0.4130   1.5455   0.5504   2.6570   0.6248  545.977  113.270  730.800   95.176 -184.8234 147.9479 
1 1 1  -13   13   13 f  533.682   64.277   1.3679   0.3093   1.8763   0.4537   0.9266   0.4227  618.980   81.656  422.964  108.186 196.0163 135.5426 
1 1 1  -13   13   14 o  153.030   72.254  -0.2820   0.2665  -0.6188   0.3520   0.1704   0.4079  154.319   75.363  261.425  106.872 -107.1056 130.7713 
1 1 1  -13   13   15 f  547.060   70.279   1.4442   0.3456   1.7015   0.5185   1.2386   0.4636  581.623  100.524  492.382  105.491 89.24152 145.7170 
1 1 1  -13   13   16 o  266.410  105.862   0.2182   0.3880   0.5765   0.8898   0.1341   0.4311  394.086  159.035  262.082  108.777 132.0038 192.6776 
1 1 1  -13   13   17 o  633.684   87.411   1.9593   0.4961   0.8719   0.9650   2.3500   0.5784  440.190  169.260  692.401   93.149 -252.2107 193.1983 
1 1 1  -13   13   18 o  376.949  106.757   0.7114   0.3871   0.1559   0.5973   1.1136   0.5083  303.500  127.170  467.029  118.180 -163.5286 173.6046 
1 1 1  -13   13   19 o  657.436   72.875   2.0629   0.4334   2.2101   0.6021   1.9046   0.6245  670.381  100.720  615.807  114.417 54.57404 152.4328 
1 1 1  -13   13   20 o  1289.14   66.148   7.8368   0.7820   7.2931   1.1103   8.3720   1.1017  1224.97   99.358  1318.24   91.386 -93.26953 134.9940 
1 1 1  -13   13   21 o  481.692  102.022   1.1681   0.4381   0.8076   0.5662   1.7062   0.6917  401.869  132.220  570.341  134.071 -168.4720 188.3004 
1 1 1  -13   13   22 o  768.141   86.117   2.8805   0.5982   3.1271   0.7558   2.4669   0.9788  789.040  106.843  664.667  161.606 124.3727 193.7318 
1 1 1  -13   13   23 o  774.653   71.417   2.8975   0.5033   3.4225   0.6796   2.2594   0.7492  831.214   90.300  649.238  129.940 181.9755 158.2359 
1 1 1  -13   13   24 o  437.100  110.243   1.0192   0.4433   1.3592   0.5871   0.5683   0.6762  495.756  127.871  356.304  140.334 139.4516 189.8540 
1 1 1  -13   15    1 o  1294.57   32.203   7.7601   0.3836   8.0963   0.5413   7.4206   0.5438  1318.47   44.614  1261.47   46.846 57.00281 64.69131 
1 1 1  -13   15    2 o  910.496   35.338   3.8427   0.2961   4.0630   0.4264   3.6376   0.4114  931.518   49.929  880.940   50.967 50.57776 71.34811 
1 1 1  -13   15    3 o  750.851   39.774   2.6253   0.2738   2.9903   0.4157   2.3456   0.3639  796.600   57.095  705.218   56.556 91.38214 80.36431 
1 1 1  -13   15    4 o  617.727   42.320   1.7825   0.2391   1.5979   0.3590   1.9298   0.3206  577.419   68.921  639.624   55.001 -62.20538 88.17772 
1 1 1  -13   15    5 o  387.898   56.492   0.7198   0.1957   1.0902   0.3393   0.5351   0.2396  471.356   81.165  328.278   80.036 143.0778 113.9886 
1 1 1  -13   15    6 o  199.652   75.584   0.1420   0.1906   0.4704   0.3327  -0.0184   0.2325  311.935  101.292  177.716   77.010 134.2192 127.2425 
1 1 1  -13   15    7 o  254.779   82.934   0.3058   0.2230   0.2125   0.3668   0.3604   0.2808  260.125  103.069  277.614   93.174 -17.48859 138.9411 
1 1 1  -13   15    8 o  351.021   79.574   0.6145   0.2511   0.3834   0.3918   0.7754   0.3271  297.836  109.221  391.393   92.316 -93.55679 143.0085 
1 1 1  -13   15    9 f  922.264   61.947   4.0443   0.5227   4.5568   1.0454   3.8735   0.6035  936.198  124.440  896.454   73.816 39.74353 144.6860 
1 1 1  -13   15   10 o  152.380   70.964  -0.2039   0.2424  -0.2229   0.3621  -0.1885   0.3264  193.093   88.791  185.426   84.907 7.667664 122.8536 
1 1 1  -13   15   11 o  319.454  105.600   0.5019   0.3610   0.7825   0.4806   0.1388   0.5468  387.371  121.301  284.596  120.582 102.7753 171.0379 
1 1 1  -13   15   12 f  564.310   62.533   1.5267   0.3193   1.3734   0.4471   1.6861   0.4560  520.758   96.864  582.721   87.773 -61.96313 130.7162 
1 1 1  -13   15   13 o  863.541   52.608   3.5150   0.4160   4.4462   0.5831   2.5492   0.5938  965.171   66.051  716.933   92.141 248.2374 113.3696 
1 1 1  -13   15   14 o  305.395   96.812   0.4575   0.3053   0.1933   0.4128   0.7764   0.4535  266.170  108.006  387.755  117.183 -121.5846 159.3652 
1 1 1  -13   15   15 o  651.347   63.002   2.0216   0.3729   2.8044   0.5503   1.3569   0.5070  760.826   79.789  513.874  110.513 246.9525 136.3067 
1 1 1  -13   15   16 o  575.818   69.915   1.5918   0.3628   2.2688   0.5567   1.0917   0.4784  680.003   91.271  460.722  113.578 219.2815 145.7065 
1 1 1  -13   15   17 o  329.640  104.316   0.5277   0.3546   0.3309   0.5235   0.6945   0.4819  313.685  123.501  375.698  121.902 -62.01337 173.5301 
1 1 1  -13   15   18 o  894.755   60.935   3.7702   0.4987   2.8434   0.7432   4.5293   0.6726  756.537  109.982  975.284   75.539 -218.7468 133.4251 
1 1 1  -13   15   19 o  481.064   97.052   1.1531   0.4148   1.6320   0.6169   0.7579   0.5604  564.239  122.337  393.383  131.629 170.8557 179.7016 
1 1 1  -13   15   20 o  432.766  122.635   0.9659   0.5107   1.8229   0.7696   0.2916   0.6826  584.613  144.003  334.010  137.592 250.6028 199.1692 
1 1 1  -13   15   21 o  201.998   97.422  -0.7473   0.5417  -0.0158   1.1402  -0.9606   0.6156  369.174  164.796  207.781  101.068 161.3926 193.3199 
1 1 1  -13   15   22 o  710.956  136.985   2.7333   0.8637   3.2286   1.5860   2.5244   1.0297  688.516  220.921  656.454  169.350 32.06158 278.3629 
1 1 1  -13   15   23 o  334.408  123.717   0.5321   0.5045   1.1324   0.7543   0.0462   0.6787  445.193  152.689  294.115  129.424 151.0783 200.1613 
1 1 1  -13   15   24 o  648.883  142.545   2.4326   0.8278   2.4483   1.0215   2.4026   1.4132  618.664  172.792  567.410  207.524 51.25391 270.0432 
1 1 1  -13   17    1 o  495.562   46.770   1.1606   0.2107   1.1867   0.2737   1.1226   0.3303  496.609   61.190  476.482   78.036 20.12653 99.16571 
1 1 1  -13   17    2 o  585.679   44.887   1.6135   0.2401   1.6937   0.3298   1.5230   0.3501  594.748   61.139  560.543   69.352 34.20563 92.45419 
1 1 1  -13   17    3 o  383.921   63.133   0.7167   0.2153   0.5710   0.3143   0.8454   0.2955  335.006   96.628  411.536   80.906 -76.52972 126.0271 
1 1 1  -13   17    4 o  284.397   74.645   0.4031   0.1978   0.6178   0.3118   0.2585   0.2559  347.857   94.818  245.420   88.528 102.4371 129.7215 
1 1 1  -13   17    5 o  452.879   62.247   0.9900   0.2525   0.9030   0.3772   1.0607   0.3400  418.708   99.383  461.196   83.180 -42.48868 129.5990 
1 1 1  -13   17    6 o  631.513   51.353   1.8870   0.2958   2.0630   0.4558   1.7589   0.3889  649.388   77.829  601.787   71.630 47.60040 105.7742 
1 1 1  -13   17    7 o  1148.48   40.037   6.1518   0.4231   6.1087   0.6783   6.1793   0.5413  1130.00   65.518  1146.06   51.331 -16.05981 83.23135 
1 1 1  -13   17    8 o  221.249   91.340   0.1024   0.3017   0.7806   0.6746  -0.0671   0.3372  392.316  143.400  204.270   90.494 188.0462 169.5657 
1 1 1  -13   17    9 o  592.620   59.056   1.6797   0.3177   1.2891   0.5033   1.9385   0.4097  494.257  113.117  631.584   71.772 -137.3263 133.9656 
1 1 1  -13   17   10 o  638.296   57.081   1.9406   0.3317   2.6452   0.5685   1.5769   0.4085  731.344   86.126  565.126   80.855 166.2176 118.1326 
1 1 1  -13   17   11 o  226.275   97.041   0.0317   0.3618   0.0244   0.4805   0.0412   0.5498  255.098  110.626  272.396  118.230 -17.29791 161.9153 
1 1 1  -13   17   12 o  1021.26   50.201   4.8956   0.4718   4.3701   0.7474   5.2437   0.6082  943.010   87.118  1049.10   63.302 -106.0958 107.6878 
1 1 1  -13   17   13 f  175.445   80.032  -0.1582   0.2864  -0.1670   0.4745  -0.1531   0.3591  231.998  104.709  200.638   90.774 31.36028 138.5785 
1 1 1  -13   17   14 o  731.625   65.504   2.5561   0.4363   2.4025   0.6943   2.6564   0.5609  684.792  114.214  737.445   84.165 -52.65259 141.8751 
1 1 1  -13   17   15 o  194.977   87.398  -0.1175   0.3243   0.1075   0.4863  -0.2977   0.4351  270.771  114.163  208.820   96.493 61.95110 149.4793 
1 1 1  -13   17   16 f  288.044  104.830   0.3490   0.3600  -0.1327   0.5283   0.7664   0.4918  252.273  112.426  390.381  122.776 -138.1080 166.4740 
1 1 1  -13   17   17 o  710.618   72.204   2.4121   0.4656   2.5149   0.7532   2.3485   0.5923  704.114  120.597  691.797   95.592 12.31714 153.8881 
1 1 1  -13   17   18 o  660.657   72.265   2.0894   0.4321   2.6132   0.6473   1.6683   0.5804  728.162   99.191  573.121  114.074 155.0406 151.1675 
1 1 1  -13   17   19 o  833.304   77.321   3.3365   0.5861   4.7673   0.9819   2.5446   0.7305  976.789  111.233  708.035  116.161 268.7541 160.8296 
1 1 1  -13   17   20 o  311.244  115.642   0.4123   0.4417   0.4611   0.6076   0.3576   0.6433  342.445  133.573  332.805  134.905 9.640686 189.8447 
1 1 1  -13   17   21 o  457.149  105.084   1.0845   0.4328   1.1216   0.6120   1.0473   0.6121  453.312  135.940  439.091  136.787 14.22159 192.8481 
1 1 1  -13   17   22 o  483.607  135.531   1.3187   0.6273   1.0491   0.8522   1.6376   0.9268  432.707  160.651  516.146  169.132 -83.43982 233.2688 
1 1 1  -13   17   23 o  244.900  107.227   0.0183   0.4607  -0.3161   0.6493   0.3574   0.6538  251.963  116.937  320.701  133.601 -68.73820 177.5489 
1 1 1  -13   19    1 o  717.507   45.576   2.4300   0.2993   2.3925   0.3882   2.4851   0.4701  705.258   60.407  712.063   72.766 -6.804871 94.57246 
1 1 1  -13   19    2 o  639.581   48.278   1.9376   0.2820   1.8559   0.3694   2.0519   0.4367  618.299   65.943  645.741   74.891 -27.44159 99.78544 
1 1 1  -13   19    3 o  984.205   41.462   4.5347   0.3755   4.5048   0.5233   4.5663   0.5391  970.943   58.851  976.680   60.280 -5.736023 84.24479 
1 1 1  -13   19    4 o  705.485   48.961   2.3553   0.3159   2.4061   0.4547   2.3080   0.4391  702.395   71.343  688.361   70.314 14.03461 100.1688 
1 1 1  -13   19    5 o  241.652   82.144   0.2727   0.2183   0.6245   0.3486   0.0458   0.2799  346.239  102.319  203.460   86.247 142.7796 133.8195 
1 1 1  -13   19    6 o  421.312   74.599   0.8824   0.2786   0.7307   0.4149   1.0069   0.3760  371.603  112.044  441.528   95.336 -69.92581 147.1150 
1 1 1  -13   19    7 o  725.815   55.350   2.5081   0.3669   2.9511   0.5733   2.2008   0.4774  772.956   81.850  668.000   79.218 104.9564 113.9075 
1 1 1  -13   19    8 o  321.777  108.312   0.5166   0.3795   0.0011   0.8525   0.6439   0.4238  319.216  142.497  352.680  114.303 -33.46426 182.6764 
1 1 1  -13   19    9 o  666.527   58.147   2.1212   0.3531   2.2806   0.5590   2.0155   0.4554  673.445   92.655  639.940   79.013 33.50525 121.7705 
1 1 1  -13   19   10 o  332.358  106.666   0.5596   0.3697   0.5932   0.4993   0.5188   0.5500  347.808  123.862  339.346  128.421 8.462677 178.4199 
1 1 1  -13   19   11 o  556.851   72.431   1.5110   0.3623   1.8757   0.5972   1.2985   0.4559  600.280  112.238  502.273  102.113 98.00699 151.7381 
1 1 1  -13   19   12 o  1029.67   50.970   4.9791   0.4829   4.5531   0.7408   5.2939   0.6368  964.739   84.301  1052.61   66.082 -87.87573 107.1140 
1 1 1  -13   19   13 o  374.411   99.283   0.7160   0.3476   1.1885   0.5688   0.4343   0.4392  472.134  127.801  314.407  115.584 157.7270 172.3156 
1 1 1  -13   19   14 o  281.754  100.318   0.3496   0.3275   0.1536   0.5395   0.4641   0.4122  288.013  120.779  318.477  112.629 -30.46347 165.1451 
1 1 1  -13   19   15 o  211.173   92.659  -0.0536   0.3457  -0.5544   0.5166   0.3523   0.4651  209.778   99.509  305.748  117.522 -95.97060 153.9913 
1 1 1  -13   19   16 f  501.146   98.536   1.2576   0.4382   1.7811   0.8955   1.0928   0.5025  569.044  162.793  460.253  118.067 108.7903 201.1002 
1 1 1  -13   19   17 o  267.380  107.377   0.2018   0.4035   0.5570   0.6927   0.0195   0.4963  370.181  143.112  261.884  113.001 108.2965 182.3464 
1 1 1  -13   19   18 o  641.820   81.098   2.0042   0.4683   2.3219   0.7888   1.8312   0.5819  663.478  133.827  600.258  109.377 63.22046 172.8379 
1 1 1  -13   19   19 f  450.178  147.462   1.0937   0.7045   2.7032   1.4941   0.6335   0.7989  644.260  214.924  386.454  152.431 257.8058 263.4910 
1 1 1  -13   19   20 o  902.691   73.803   3.9500   0.6077   4.7769   0.9999   3.4657   0.7652  959.903  115.525  825.871  102.923 134.0315 154.7226 
1 1 1  -13   19   21 o  424.449  138.486   1.0152   0.6216   1.2759   0.9182   0.7947   0.8445  461.327  167.499  396.589  156.628 64.73816 229.3206 
1 1 1  -13   19   22 o  175.578   86.115  -0.8117   0.4747  -1.8032   0.7476  -0.1417   0.6145  194.039   97.278  259.009  117.795 -64.97047 152.7696 
1 1 1  -13   21    1 o  618.614   65.353   1.8650   0.3664   1.9080   0.3929   1.5784   1.0147  623.447   69.675  491.297  176.398 132.1507 189.6603 
1 1 1  -13   21    2 o  391.722   74.820   0.7713   0.2599   0.7561   0.3184   0.8017   0.4496  380.689   91.935  383.338  116.871 -2.649719 148.6970 
1 1 1  -13   21    3 f  666.739   52.420   2.1192   0.3190   2.4262   0.4322   1.7517   0.4728  705.949   67.353  586.000   90.609 119.9493 112.9000 
1 1 1  -13   21    4 o  162.151   73.296  -0.1002   0.2336  -0.2932   0.3203   0.1189   0.3413  169.686   79.842  232.442   96.654 -62.75534 125.3662 
1 1 1  -13   21    5 o  593.806   59.359   1.6971   0.3200   1.6738   0.4509   1.7208   0.4542  575.198   87.988  583.786   87.226 -8.587891 123.8965 
1 1 1  -13   21    6 o  839.049   53.570   3.3463   0.4114   3.6255   0.6219   3.1289   0.5487  857.287   79.745  798.742   75.554 58.54504 109.8531 
1 1 1  -13   21    7 f  300.620  104.352   0.4382   0.3528  -0.0497   0.8990   0.5270   0.3836  319.922  144.280  323.414  108.899 -3.492218 180.7643 
1 1 1  -13   21    8 o  1190.94   49.313   6.6779   0.5404   6.8695   0.7968   6.5147   0.7354  1189.86   73.131  1161.84   69.097 28.01880 100.6109 
1 1 1  -13   21    9 o  692.145   63.841   2.3038   0.4020   2.7412   0.6063   1.9606   0.5371  739.943   90.961  620.845   97.198 119.0983 133.1219 
1 1 1  -13   21   10 o  636.775   96.596   2.0510   0.5482   2.9244   0.6336  -0.5498   1.0934  765.290   91.811  318.580  149.135 446.7098 175.1305 
1 1 1  -13   21   11 o  414.281   98.220   0.8817   0.3687   1.2017   0.5941   0.6811   0.4703  470.410  131.913  365.313  120.518 105.0969 178.6774 
1 1 1  -13   21   12 o  710.780   65.464   2.4166   0.4233   2.6102   0.6980   2.3039   0.5325  716.018  109.409  684.375   86.485 31.64337 139.4636 
1 1 1  -13   21   13 o  326.267  104.350   0.5235   0.3541   0.9383   0.5871   0.2864   0.4439  423.941  134.245  289.107  113.750 134.8339 175.9565 
1 1 1  -13   21   14 o  557.434   81.321   1.5174   0.4048   1.9093   0.6329   1.2461   0.5267  609.739  117.069  489.885  118.192 119.8530 166.3568 
1 1 1  -13   21   15 o  343.889  112.492   0.5801   0.4100   1.1005   0.7725   0.3759   0.4838  457.305  154.537  312.082  119.884 145.2231 195.5857 
1 1 1  -13   21   16 o  725.964   74.378   2.5383   0.4898   1.9760   0.8032   2.8713   0.6181  602.820  146.283  765.236   89.467 -162.4160 171.4731 
1 1 1  -13   21   17 o  490.070  105.539   1.2327   0.4619   0.4036   0.6993   1.8742   0.6151  345.833  140.486  602.002  115.240 -256.1686 181.7047 
1 1 1  -13   21   18 o  815.480   82.012   3.2568   0.6071   3.5432   0.8962   3.0139   0.8252  822.545  122.115  757.366  122.600 65.17822 173.0401 
1 1 1  -13   21   19 o  606.111  154.173   2.1441   0.8619   3.1198   1.6224   1.7604   1.0173  648.662  223.849  531.184  177.350 117.4783 285.5900 
1 1 1  -13   21   20 o  618.417   98.195   1.9834   0.5401   2.0151   0.8371   1.9608   0.7069  576.645  154.605  587.541  133.755 -10.89630 204.4332 
1 1 1  -13   21   21 o  410.614  138.239   0.9925   0.6181   0.9102   0.7937   1.1192   0.9854  397.266  153.296  425.709  168.855 -28.44315 228.0611 
1 1 1  -13   23    1 o  519.156   71.824   1.3355   0.3339   1.5181   0.4378   1.0817   0.5163  543.231   90.791  438.767  122.953 104.4637 152.8411 
1 1 1  -13   23    2 o  619.592   63.217   1.8642   0.3554   1.2160   0.4348   3.1680   0.6167  479.196  101.756  793.171   85.867 -313.9752 133.1439 
1 1 1  -13   23    3 o  211.617   86.501   0.1131   0.2672  -0.2747   0.3197   1.0120   0.4867  171.148   80.285  427.922  119.183 -256.7748 143.7021 
1 1 1  -13   23    4 o  192.270   82.870   0.0116   0.2663   0.1198   0.3632  -0.1143   0.3917  237.615   99.331  211.864   95.421 25.75089 137.7384 
1 1 1  -13   23    5 o  960.170   65.641   4.4539   0.5765   4.4097   0.6431   4.6351   1.3006  949.141   74.224  876.729  167.328 72.41254 183.0517 
1 1 1  -13   23    6 o  290.916  128.347   0.0378   0.6716  -0.8675   0.9563   0.9185   0.9433  275.109  131.841  417.641  165.348 -142.5317 211.4754 
1 1 1  -13   23    7 o  294.930   95.870   0.4329   0.2980   0.8475   0.4788   0.1707   0.3807  396.417  120.544  251.648  103.104 144.7695 158.6230 
1 1 1  -13   23    8 o  189.803   82.730  -0.0197   0.2715  -0.1142   0.4157   0.0506   0.3586  220.314   98.842  227.305   97.022 -6.992004 138.5029 
1 1 1  -13   23    9 o  216.726   99.274  -0.2282   0.4467  -0.0958   0.4895  -0.8869   1.0919  242.205  108.059  300.078  143.003 -57.87302 179.2387 
1 1 1  -13   23   10 o  442.911   93.922   0.9970   0.3709   1.7005   0.5710   0.4834   0.4879  572.058  112.479  328.210  121.611 243.8482 165.6523 
1 1 1  -13   23   11 o  210.275   91.537  -0.0212   0.3315   0.8939   0.5390  -0.5780   0.4204  412.499  128.332  179.019   86.210 233.4800 154.6006 
1 1 1  -13   23   12 o  206.856   92.332  -0.1049   0.3579  -0.1631   0.5146  -0.0504   0.4980  243.313  109.497  251.898  110.856 -8.585220 155.8162 
1 1 1  -13   23   13 f  507.723   95.450   1.2961   0.4296   1.0893   0.7469   1.3983   0.5251  451.801  151.954  519.903  112.991 -68.10172 189.3594 
1 1 1  -13   23   14 o  416.415  108.368   0.8969   0.4192   0.6419   0.7665   1.0057   0.5008  385.272  150.095  437.321  120.559 -52.04837 192.5172 
1 1 1  -13   23   15 o  886.281   66.010   3.7534   0.5345   4.0444   0.8830   3.5852   0.6714  892.255  109.875  854.849   86.549 37.40613 139.8692 
1 1 1  -13   23   16 o  405.244  117.594   0.8687   0.4643   1.3437   0.7389   0.5589   0.5967  488.072  150.004  351.886  133.622 136.1859 200.8884 
1 1 1  -13   23   17 o  510.589  111.596   1.3809   0.5097   2.2019   0.7619   0.7160   0.6857  630.830  135.315  379.859  143.474 250.9712 197.2181 
1 1 1  -13   23   18 o  347.124  142.132   0.4911   0.7229   1.9613   1.4928   0.0406   0.8263  522.204  207.605  313.559  140.107 208.6444 250.4595 
1 1 1  -13   23   19 o  239.430  106.665  -0.0391   0.4751   0.6700   0.7247  -0.5736   0.6292  363.531  144.608  226.956  108.266 136.5756 180.6455 
1 1 1  -13   23   20 o  779.252   87.477   3.1262   0.6164   4.0137   1.0339   2.6368   0.7678  819.239  142.319  676.524  128.026 142.7150 191.4294 
1 1 1  -13   25    1 o  586.014   71.269   1.6900   0.3764   1.9320   0.4918   1.3478   0.5848  616.317   89.321  488.712  128.385 127.6051 156.3997 
1 1 1  -13   25    2 o  215.977   91.963   0.0549   0.3207  -0.1331   0.3838   0.4899   0.5840  207.388   93.833  332.261  130.554 -124.8727 160.7764 
1 1 1  -13   25    3 o  169.090   78.061  -0.1867   0.2838  -0.2536   0.3531  -0.0647   0.4768  184.728   85.901  239.808  106.844 -55.08057 137.0935 
1 1 1  -13   25    4 o  813.824   58.885   3.1713   0.4380   3.0078   0.5727   3.4016   0.6798  779.090   81.073  821.172   91.522 -42.08154 122.2666 
1 1 1  -13   25    5 o  468.531  110.385   1.1692   0.4681   0.9111   1.2222   1.2135   0.5067  432.953  181.686  473.993  116.907 -41.03922 216.0484 
1 1 1  -13   25    6 o  329.271   98.746   0.5564   0.3229   0.7053   0.4564   0.4072   0.4570  366.771  118.600  307.388  116.881 59.38297 166.5144 
1 1 1  -13   25    7 o  379.418   94.245   0.7406   0.3276   1.3169   0.4948   0.2908   0.4371  500.557  110.383  284.764  112.610 215.7931 157.6873 
1 1 1  -13   25    8 o  253.123  106.168   0.1173   0.4170   0.0996   0.4547   0.2106   1.0459  259.114  109.885  366.353  160.952 -107.2386 194.8855 
1 1 1  -13   25    9 o  762.341   67.054   2.7906   0.4656   2.5997   0.6445   2.9990   0.6733  717.625  100.347  773.822   96.672 -56.19720 139.3374 
1 1 1  -13   25   10 o  263.014  112.537   0.0733   0.4845   0.1057   0.5329  -0.0815   1.1645  277.595  118.375  361.391  163.484 -83.79642 201.8405 
1 1 1  -13   25   11 o  710.944  113.987   2.6088   0.7205   3.0039   0.8390   1.4987   1.4064  755.935  124.978  511.217  202.051 244.7185 237.5802 
1 1 1  -13   25   12 o  340.246  123.196   0.5455   0.4962   1.1672   0.7611   0.0860   0.6544  459.229  153.404  298.334  129.240 160.8953 200.5888 
1 1 1  -13   25   13 o  210.976   95.439  -0.1551   0.3969   0.1720   0.6532  -0.3465   0.4996  306.883  130.970  219.689  102.165 87.19405 166.1050 
1 1 1  -13   25   14 o  244.652  105.560   0.0391   0.4331  -0.5070   0.6648   0.4418   0.5708  244.957  115.184  328.575  129.086 -83.61784 173.0042 
1 1 1  -13   25   15 o  819.555   73.494   3.2800   0.5483   3.1541   0.8564   3.3674   0.7139  763.281  126.357  813.458   97.302 -50.17755 159.4797 
1 1 1  -13   25   16 f  298.630  117.298   0.3686   0.4712   0.0583   0.6877   0.6433   0.6470  292.958  129.529  359.730  138.522 -66.77161 189.6480 
1 1 1  -13   25   17 o  254.876  116.445  -0.1583   0.6092  -0.2214   0.8885  -0.1023   0.8370  295.899  137.136  297.259  136.064 -1.359528 193.1828 
1 1 1  -13   25   18 o  511.948  148.126   1.6662   0.7376   0.0000   0.0000   1.6662   0.7376  ?   ?   511.948  148.126 0.000000 148.1256 
1 1 1  -13   25   19 o  376.088  168.913   0.7014   1.2175   1.1499   1.8480   0.3575   1.6185  415.703  194.372  374.083  177.063 41.62051 262.9293 
1 1 1  -13   27    1 o  531.342   89.892   1.4374   0.4238   1.1147   0.5256   2.0372   0.7166  449.232  123.379  603.992  132.570 -154.7594 181.1002 
1 1 1  -13   27    2 o  238.720   98.364   0.1408   0.3490   0.2991   0.4222  -0.2004   0.6200  281.331  110.862  258.296  117.797 23.03534 161.7611 
1 1 1  -13   27    3 o  820.342   96.724   3.4181   0.7161   2.6510   1.3816   3.6999   0.8373  613.901  206.668  842.042  110.757 -228.1413 234.4751 
1 1 1  -13   27    4 o  555.787  113.915   1.6421   0.5630   0.4519   1.1128   2.0515   0.6527  386.496  167.981  619.438  118.837 -232.9419 205.7664 
1 1 1  -13   27    5 o  605.986   74.976   1.8021   0.4092   2.3021   0.5643   1.2478   0.5941  675.152   93.325  474.217  131.544 200.9352 161.2866 
1 1 1  -13   27    6 o  998.982   58.542   4.7531   0.5358   4.4699   0.7396   5.0658   0.7773  950.700   85.456  1013.54   84.100 -62.84338 119.8981 
1 1 1  -13   27    7 o  409.664  123.597   0.9045   0.5048   1.2703   0.5610  -0.6516   1.1570  482.782  125.223  320.020  150.933 162.7621 196.1158 
1 1 1  -13   27    8 o  304.367  109.684   0.4308   0.3927   0.5081   0.5992   0.3726   0.5198  341.887  132.842  310.798  122.840 31.08926 180.9331 
1 1 1  -13   27    9 o  493.435  113.046   1.2928   0.5023   0.8158   0.6721   1.8963   0.7559  395.389  143.339  579.637  142.687 -184.2478 202.2516 
1 1 1  -13   27   10 o  1049.63   67.226   5.3053   0.6459   5.1292   1.0132   5.4258   0.8383  993.351  112.853  1045.28   87.971 -51.92853 143.0898 
1 1 1  -13   27   11 o  353.984  114.737   0.6545   0.4270   0.1110   0.6332   1.1076   0.5782  292.970  127.023  446.027  131.753 -153.0576 183.0127 
1 1 1  -13   27   12 o  818.180   79.822   3.3107   0.5933   2.3260   0.8943   4.0848   0.7929  625.023  155.993  894.448   97.939 -269.4247 184.1896 
1 1 1  -13   27   13 o  465.780  116.122   1.1903   0.4960   1.6130   0.7900   0.9153   0.6372  514.214  154.505  402.863  140.210 111.3517 208.6403 
1 1 1  -13   27   14 o  619.766   99.872   2.0193   0.5502   1.5945   0.7555   2.4990   0.8029  508.386  150.717  656.548  137.310 -148.1617 203.8861 
1 1 1  -13   27   15 o  404.011  132.798   0.9649   0.5712   1.2262   0.7911   0.6802   0.8256  437.497  155.888  365.755  151.061 71.74225 217.0727 
1 1 1  -13   27   16 f  693.901  140.682   2.9431   0.8675   2.9431   0.8675   0.0000   0.0000  693.901  140.682  ?   ?  0.000000 140.6819 
1 1 1  -13   27   17 o  299.942  143.060  -0.3395   1.0977   0.0207   1.5898  -0.6676   1.5175  351.677  168.919  321.622  156.936 30.05487 230.5702 
1 1 1  -13   29    1 o  490.923  149.442   1.4690   0.7356   0.0000   0.0000   1.4690   0.7356  ?   ?   490.923  149.442 0.000000 149.4421 
1 1 1  -13   29    2 o  549.796  152.903   1.8450   0.8016   0.0000   0.0000   1.8450   0.8016  ?   ?   549.796  152.903 0.000000 152.9034 
1 1 1  -13   29    3 o  387.804  114.140   0.8216   0.4346   1.1377   0.5715   0.3879   0.6694  446.286  130.747  326.220  135.482 120.0661 188.2820 
1 1 1  -13   29    4 o  717.753   81.056   2.5730   0.5260   2.4901   0.7064   2.6762   0.7879  678.467  117.397  694.356  128.035 -15.88867 173.7096 
1 1 1  -13   29    5 o  343.366  114.806   0.6212   0.4263   0.5653   0.5461   0.7083   0.6820  339.665  128.107  371.439  142.419 -31.77420 191.5581 
1 1 1  -13   29    6 o  355.617  125.845   0.6661   0.5147   0.7050   0.5612   0.4602   1.2907  364.646  131.159  391.809  175.085 -27.16220 218.7636 
1 1 1  -13   29    7 o  642.701   89.066   2.1017   0.5126   2.0745   0.7209   2.1295   0.7289  604.639  133.170  612.949  133.059 -8.309753 188.2524 
1 1 1  -13   29    8 o  187.377   87.931  -0.3131   0.3841  -0.4403   0.5470  -0.1893   0.5395  219.496  103.600  239.448  109.468 -19.95134 150.7186 
1 1 1  -13   29    9 o  353.678  120.559   0.6748   0.4702   0.8494   0.6798   0.5147   0.6511  389.228  143.682  338.722  136.270 50.50519 198.0252 
1 1 1  -13   29   10 o  954.867   72.524   4.5003   0.6325   4.4534   0.8923   4.5476   0.8966  913.552  108.257  924.167  107.435 -10.61493 152.5187 
1 1 1  -13   29   11 o  276.096  111.956   0.2846   0.4432   0.2933   0.7062   0.2790   0.5693  313.176  134.962  293.817  123.688 19.35931 183.0665 
1 1 1  -13   29   12 o  402.197  125.796   0.9529   0.5171   0.8331   0.7244   1.0774   0.7384  377.292  146.206  412.795  150.153 -35.50235 209.5763 
1 1 1  -13   29   13 o  277.645  115.760   0.2789   0.4914   0.1577   0.6377   0.4559   0.7711  283.378  125.044  328.815  141.360 -45.43616 188.7290 
1 1 1  -13   29   14 o  764.730   99.540   3.1925   0.6838   2.9677   0.8876   3.5208   1.0726  678.243  146.510  707.769  167.329 -29.52588 222.4061 
1 1 1  -13   29   15 o  568.582  116.745   1.9098   0.5903   1.7643   0.8624   2.0381   0.8099  480.996  163.273  535.821  155.268 -54.82431 225.3131 
1 1 1  -13   31    1 o  528.189  103.534   1.5410   0.4852   1.9501   0.6222   0.9060   0.7751  579.032  120.689  380.748  150.156 198.2846 192.6465 
1 1 1  -13   31    2 o  335.636  119.505   0.6312   0.4648   1.1776   0.5795  -0.3540   0.7782  437.136  132.554  262.703  123.864 174.4330 181.4189 
1 1 1  -13   31    3 o  522.068  110.796   1.5321   0.5158   1.6284   0.6701   1.3921   0.8080  510.934  138.885  451.540  157.847 59.39481 210.2492 
1 1 1  -13   31    4 o  271.613  117.901   0.1610   0.5468   0.1267   0.5967   0.3412   1.3661  275.401  121.268  363.393  168.974 -87.99225 207.9865 
1 1 1  -13   31    5 o  391.242  125.534   0.9105   0.5121   0.7413   0.5427   2.2873   1.5478  357.669  128.934  494.707  205.782 -137.0378 242.8374 
1 1 1  -13   31    6 o  445.348  117.065   1.1517   0.4860   0.5055   0.6026   2.3546   0.8222  322.251  130.587  607.286  148.400 -285.0353 197.6754 
1 1 1  -13   31    7 o  434.584  121.720   1.1219   0.5061   1.3604   0.6642   0.7917   0.7816  459.591  142.378  367.049  148.731 92.54108 205.8942 
1 1 1  -13   31    8 f  252.075  109.413   0.1236   0.4709   0.1303   0.6182   0.1144   0.7267  276.265  122.447  289.167  130.129 -12.90204 178.6808 
1 1 1  -13   31    9 o  369.887  125.555   0.8324   0.5099   0.8632   0.6702   0.7902   0.7859  370.250  141.366  361.275  148.089 8.974915 204.7304 
1 1 1  -13   31   10 o  412.346  130.570   1.0865   0.5554   0.4940   0.6881   2.1948   0.9410  318.488  135.124  533.539  170.058 -215.0508 217.2052 
1 1 1  -13   31   11 o  190.978   92.194  -0.5181   0.4878  -0.9560   0.6336   0.1192   0.7643  197.115   97.226  285.687  130.484 -88.57243 162.7236 
1 1 1  -13   31   12 o  728.531   96.890   2.9544   0.6334   2.3978   0.8745   3.5687   0.9187  564.789  160.637  736.772  140.638 -171.9829 213.5026 
1 1 1  -13   31   13 o  254.161  113.348   0.1283   0.5380  -0.3418   0.7635   0.5921   0.7583  248.241  118.652  321.651  139.232 -73.41006 182.9315 
1 1 1  -13   33    1 f  355.324  142.168   0.9466   0.7044   0.9466   0.7044   0.0000   0.0000  355.324  142.168  ?   ?  0.000000 142.1683 
1 1 1  -13   33    2 o  726.273  123.930   3.3360   0.7985   3.3360   0.7985   0.0000   0.0000  726.273  123.930  ?   ?  0.000000 123.9299 
1 1 1  -13   33    3 o  269.387  121.361   0.1869   0.6341   0.1869   0.6341   0.0000   0.0000  269.387  121.361  ?   ?  0.000000 121.3610 
1 1 1  -13   33    4 o  267.093  115.231   0.2804   0.5159   0.3666   0.5959   0.0221   1.0313  284.858  123.364  292.500  139.277 -7.641510 186.0554 
1 1 1  -13   33    5 o  356.682  130.581   0.8725   0.5597   0.6106   0.6437   1.6840   1.1332  316.329  132.240  409.464  173.549 -93.13535 218.1892 
1 1 1  -13   33    6 o  354.900  126.733   0.8513   0.5231   0.7647   0.6005   1.1239   1.0654  336.254  132.303  363.762  161.011 -27.50845 208.3956 
1 1 1  -13   33    7 o  233.412  107.249  -0.0283   0.5269   0.0181   0.6431  -0.1232   0.9188  253.874  117.312  273.246  130.481 -19.37193 175.4630 
1 1 1  -13   33    8 o  242.724  110.715   0.0461   0.5479   0.0986   0.6741  -0.0561   0.9408  262.842  120.970  277.153  132.260 -14.31165 179.2387 
1 1 1  -13   33    9 o  181.786   90.083  -0.8935   0.5670  -1.1594   0.5973   1.5287   1.8028  176.210   88.135  360.786  174.906 -184.5758 195.8568 
1 1 1  -13   33   10 o  346.046  170.643   1.2103   1.9477   1.2103   1.9477   0.0000   0.0000  346.046  170.643  ?   ?  0.000000 170.6434 
1 1 1  -13   35    1 o  327.520  163.586   2.4931   2.0253   0.0000   0.0000   2.4931   2.0253  ?   ?   327.520  163.586 0.000000 163.5856 
1 1 1  -13   35    2 o  265.684  135.426  -1.1183   1.8714   0.0000   0.0000  -1.1183   1.8714  ?   ?   265.684  135.426 0.000000 135.4256 
1 1 1  -13   35    3 o  297.268  150.015   0.5995   1.9387   0.0000   0.0000   0.5995   1.9387  ?   ?   297.268  150.015 0.000000 150.0152 
1 1 1  -13   35    4 o  299.875  151.137   0.6363   1.9333   0.0000   0.0000   0.6363   1.9333  ?   ?   299.875  151.137 0.000000 151.1367 
1 1 1  -13   35    5 o  358.990  175.346   2.9880   1.9080   0.0000   0.0000   2.9880   1.9080  ?   ?   358.990  175.346 0.000000 175.3464 
1 1 1  -12    0    1 o  4368.98   40.913   87.952   1.6445   87.952   1.6445   87.952   1.6445  4368.98   40.913  4368.98   40.913 0.000000 0.000000 
1 1 1  -12    0    2 o  1214.69   44.633   6.8258   0.4973   6.8258   0.4973   6.8258   0.4973  1214.69   44.633  1214.69   44.633 0.000000 0.000000 
1 1 1  -12    0    3 f  175.394   93.759   0.2038   0.2067   0.2038   0.2067   0.2038   0.2067  175.394   93.759  175.394   93.759 0.000000 0.000000 
1 1 1  -12    0    4 o  133.438   84.629   0.0274   0.2251   0.0274   0.2251   0.0274   0.2251  133.438   84.629  133.438   84.629 0.000000 0.000000 
1 1 1  -12    0    5 o  244.722  107.664   0.3981   0.2539   0.3981   0.2539   0.3981   0.2539  244.722  107.664  244.722  107.664 0.000000 0.000000 
1 1 1  -12    0    6 o  960.073   55.803   4.2915   0.4892   4.2915   0.4892   4.2915   0.4892  960.073   55.803  960.073   55.803 0.000000 0.000000 
1 1 1  -12    0    7 o  1826.37   50.724   15.406   0.8510   15.406   0.8510   15.406   0.8510  1826.37   50.724  1826.37   50.724 0.000000 0.000000 
1 1 1  -12    0    8 o  362.817  115.831   0.7695   0.3408   0.7695   0.3408   0.7695   0.3408  362.817  115.831  362.817  115.831 0.000000 0.000000 
1 1 1  -12    0    9 o  1550.94   83.090   11.227   1.1780   11.227   1.1780   11.227   1.1780  1550.94   83.090  1550.94   83.090 0.000000 0.000000 
1 1 1  -12    0   10 o  658.044   86.244   2.1091   0.4974   2.1091   0.4974   2.1091   0.4974  658.044   86.244  658.044   86.244 0.000000 0.000000 
1 1 1  -12    0   11 o  460.525   91.103   1.0943   0.3432   1.0943   0.3432   1.0943   0.3432  460.525   91.103  460.525   91.103 0.000000 0.000000 
1 1 1  -12    0   12 o  345.997  173.683   0.8696   0.6790   0.8696   0.6790   0.8696   0.6790  345.997  173.683  345.997  173.683 0.000000 0.000000 
1 1 1  -12    0   13 o  990.693   60.370   4.6153   0.5456   4.6153   0.5456   4.6153   0.5456  990.693   60.370  990.693   60.370 0.000000 0.000000 
1 1 1  -12    0   14 o  592.672   71.185   1.7135   0.3734   1.7135   0.3734   1.7135   0.3734  592.672   71.185  592.672   71.185 0.000000 0.000000 
1 1 1  -12    0   15 o  538.601   82.888   1.4609   0.3819   1.4609   0.3819   1.4609   0.3819  538.601   82.888  538.601   82.888 0.000000 0.000000 
1 1 1  -12    0   16 o  506.277   92.766   1.3303   0.3893   1.3303   0.3893   1.3303   0.3893  506.277   92.766  506.277   92.766 0.000000 0.000000 
1 1 1  -12    0   17 o  665.715   77.271   2.1739   0.4567   2.1739   0.4567   2.1739   0.4567  665.715   77.271  665.715   77.271 -0.000000 0.000000 
1 1 1  -12    0   18 o  627.707   84.214   1.9621   0.4618   1.9621   0.4618   1.9621   0.4618  627.707   84.214  627.707   84.214 0.000000 0.000000 
1 1 1  -12    0   19 o  813.773   84.636   3.2354   0.6181   3.2354   0.6181   3.2354   0.6181  813.773   84.636  813.773   84.636 -0.000000 0.000000 
1 1 1  -12    0   20 o  738.054   81.203   2.6565   0.5345   2.6565   0.5345   2.6565   0.5345  738.054   81.203  738.054   81.203 0.000000 0.000000 
1 1 1  -12    0   21 o  755.530  131.062   2.9875   0.8290   2.9875   0.8290   2.9875   0.8290  755.530  131.062  755.530  131.062 0.000000 0.000000 
1 1 1  -12    0   22 o  245.081  136.780   0.4166   0.4599   0.4166   0.4599   0.4166   0.4599  245.081  136.780  245.081  136.780 0.000000 0.000000 
1 1 1  -12    0   23 o  262.879  158.398   0.4231   0.6967   0.4231   0.6967   0.4231   0.6967  262.879  158.398  262.879  158.398 -0.000000 0.000000 
1 1 1  -12    0   24 o  185.862  121.845  -0.0050   0.5204  -0.0050   0.5204  -0.0050   0.5204  185.862  121.845  185.862  121.845 0.000000 0.000000 
1 1 1  -12    0   25 o  779.573   99.298   3.1034   0.6808   3.1034   0.6808   3.1034   0.6808  779.573   99.298  779.573   99.298 -0.000000 0.000000 
1 1 1  -12    0   26 o  165.068  112.858  -0.2109   0.5397  -0.2109   0.5397  -0.2109   0.5397  165.068  112.858  165.068  112.858 0.000000 0.000000 
1 1 1  -12    2    1 o  3185.21   28.922   46.731   0.8477   46.935   1.2027   46.530   1.1949  3190.32   40.970  3176.54   40.881 13.77661 57.87785 
1 1 1  -12    2    2 o  1941.05   29.875   17.355   0.5336   17.071   0.7495   17.648   0.7599  1923.92   42.337  1956.16   42.214 -32.24536 59.78651 
1 1 1  -12    2    3 o  996.825   33.294   4.5781   0.3054   4.3832   0.4278   4.7807   0.4361  974.646   47.701  1017.95   46.556 -43.30005 66.65485 
1 1 1  -12    2    4 o  937.573   35.261   4.0503   0.3042   4.0808   0.4320   4.0203   0.4284  939.058   50.181  932.052   50.135 7.006165 70.93411 
1 1 1  -12    2    5 o  1836.08   33.110   15.529   0.5594   15.324   0.7860   15.739   0.7963  1822.82   46.861  1847.36   46.843 -24.54126 66.25902 
1 1 1  -12    2    6 f  1128.37   37.345   5.8664   0.3877   5.5560   0.5395   6.1980   0.5577  1097.29   53.433  1159.03   52.288 -61.73914 74.76069 
1 1 1  -12    2    7 f  1350.91   37.975   8.4088   0.4721   7.5005   0.6433   9.4687   0.6949  1274.84   54.837  1432.54   52.715 -157.6951 76.06543 
1 1 1  -12    2    8 o  1541.04   44.450   10.950   0.6303   10.063   1.0580   11.439   0.7848  1471.77   78.409  1574.17   54.178 -102.3964 95.30607 
1 1 1  -12    2    9 o  1707.64   39.311   13.446   0.6177   13.009   0.8695   13.892   0.8777  1677.66   56.326  1733.86   55.010 -56.20105 78.73241 
1 1 1  -12    2   10 o  921.271   47.713   3.9331   0.4031   4.0444   0.8036   3.8957   0.4659  924.404   95.865  915.698   55.561 8.706787 110.8026 
1 1 1  -12    2   11 o  1855.45   37.096   15.902   0.6333   16.081   0.8254   15.645   0.9877  1863.40   48.138  1835.03   58.492 28.36035 75.75347 
1 1 1  -12    2   12 o  759.779   48.621   2.6897   0.3381   2.7676   0.4282   2.5606   0.5512  767.996   61.092  732.355   83.277 35.64044 103.2826 
1 1 1  -12    2   13 o  1458.40   35.097   9.8408   0.4710   9.9159   0.6239   9.7413   0.7181  1460.90   46.414  1445.49   53.991 15.40820 71.19874 
1 1 1  -12    2   14 o  485.305   59.970   1.1205   0.2621   0.7988   0.3355   1.6241   0.4198  399.864   92.959  578.849   81.035 -178.9849 123.3206 
1 1 1  -12    2   15 o  646.943   51.958   1.9695   0.3067   2.3380   0.4148   1.5251   0.4555  701.031   65.045  555.065   92.437 145.9662 113.0286 
1 1 1  -12    2   16 o  531.069   63.938   1.3491   0.3062   1.2637   0.3993   1.4711   0.4770  504.931   89.194  541.453   99.407 -36.52277 133.5562 
1 1 1  -12    2   17 o  651.835   53.775   2.0031   0.3197   2.2570   0.4598   1.7655   0.4447  685.106   74.119  601.890   82.466 83.21558 110.8792 
1 1 1  -12    2   18 o  693.326   50.448   2.2565   0.3196   2.2018   0.4403   2.3175   0.4648  678.044   71.652  694.987   73.810 -16.94354 102.8690 
1 1 1  -12    2   19 o  495.609   68.277   1.1789   0.3031   1.2160   0.4291   1.1419   0.4283  493.686   97.908  477.105  100.711 16.58017 140.4586 
1 1 1  -12    2   20 o  913.666   57.871   3.9168   0.4840   3.6089   0.6694   4.2543   0.7007  867.149   84.981  943.594   81.505 -76.44598 117.7488 
1 1 1  -12    2   21 o  857.760   62.311   3.4596   0.4885   4.0314   0.7324   3.0015   0.6555  916.969   87.880  788.502   92.081 128.4664 127.2863 
1 1 1  -12    2   22 o  533.796   75.328   1.3687   0.3597   0.9481   0.5090   1.7882   0.5084  432.981  122.348  605.077   94.393 -172.0955 154.5288 
1 1 1  -12    2   23 o  735.828   91.633   2.6312   0.6070   2.7559   0.8986   2.5265   0.8232  729.959  138.860  701.643  132.351 28.31592 191.8304 
1 1 1  -12    2   24 o  933.207   59.259   4.1080   0.5062   4.4178   0.7449   3.8422   0.6900  955.419   85.640  890.764   85.227 64.65546 120.8216 
1 1 1  -12    2   25 o  1221.69   52.656   7.0118   0.5919   6.5324   0.8213   7.5299   0.8539  1163.28   77.165  1251.21   74.504 -87.92749 107.2627 
1 1 1  -12    2   26 o  229.449  100.710  -0.0268   0.4086   0.2854   0.6164  -0.2717   0.5458  312.719  129.953  237.001  108.995 75.71820 169.6103 
1 1 1  -12    4    1 o  2036.51   29.050   19.102   0.5444   18.991   0.7691   19.213   0.7706  2029.52   41.181  2041.34   41.028 -11.81311 58.13062 
1 1 1  -12    4    2 o  789.426   34.052   2.8713   0.2474   2.8375   0.3534   2.9038   0.3463  782.602   49.330  791.905   47.748 -9.302917 68.65369 
1 1 1  -12    4    3 o  1894.42   30.798   16.530   0.5369   16.613   0.7689   16.452   0.7499  1898.02   44.025  1888.90   43.146 9.120972 61.64281 
1 1 1  -12    4    4 o  844.931   36.736   3.2896   0.2856   3.6938   0.4222   2.9485   0.3878  893.208   51.591  797.518   53.149 95.69055 74.07052 
1 1 1  -12    4    5 o  1326.41   35.067   8.1052   0.4280   7.9918   0.6030   8.2203   0.6075  1316.22   49.792  1334.93   49.459 -18.71118 70.18084 
1 1 1  -12    4    6 o  1467.86   31.867   9.9235   0.4304   9.9586   0.6922   9.9014   0.5496  1469.22   51.203  1465.73   40.748 3.494873 65.43795 
1 1 1  -12    4    7 o  281.556   75.858   0.3794   0.2010   0.0411   0.4340   0.4717   0.2267  256.946  108.070  313.076   78.767 -56.13000 133.7289 
1 1 1  -12    4    8 o  1806.30   33.410   15.032   0.5553   14.783   0.8658   15.206   0.7238  1789.42   52.581  1815.87   43.318 -26.45129 68.12617 
1 1 1  -12    4    9 o  1936.77   38.879   17.302   0.6929   17.811   1.0031   16.836   0.9582  1962.53   55.547  1908.23   54.572 54.30762 77.86921 
1 1 1  -12    4   10 o  809.099   44.532   3.0349   0.3303   3.2299   0.4340   2.7667   0.5091  832.803   56.978  767.368   72.973 65.43530 92.58265 
1 1 1  -12    4   11 o  2009.51   36.688   18.659   0.6784   19.543   0.8959   17.470   1.0387  2053.64   47.408  1938.14   58.243 115.4944 75.09843 
1 1 1  -12    4   12 o  970.495   50.641   4.3889   0.4507   5.2901   0.6621   3.6108   0.6152  1060.50   68.210  872.421   77.435 188.0770 103.1929 
1 1 1  -12    4   13 o  171.628   74.916  -0.0365   0.2234  -0.1724   0.2948   0.1468   0.3424  178.329   81.288  244.508   98.658 -66.17891 127.8321 
1 1 1  -12    4   14 o  936.424   41.352   4.0739   0.3563   3.7661   0.4570   4.5513   0.5691  895.188   55.752  981.494   63.355 -86.30658 84.39240 
1 1 1  -12    4   15 o  1256.60   38.851   7.3344   0.4492   7.2299   0.5934   7.4746   0.6875  1243.02   51.882  1260.67   59.268 -17.64880 78.76819 
1 1 1  -12    4   16 o  668.760   53.048   2.1076   0.3238   2.0036   0.4188   2.2620   0.5104  645.677   71.700  681.748   83.080 -36.07050 109.7415 
1 1 1  -12    4   17 o  603.096   59.119   1.7254   0.3239   1.4668   0.4163   2.1220   0.5155  546.542   85.584  658.680   87.190 -112.1385 122.1752 
1 1 1  -12    4   18 o  245.770   91.326   0.2355   0.2755   0.6385   0.3728  -0.2498   0.4090  356.912  105.881  206.445   94.725 150.4672 142.0685 
1 1 1  -12    4   19 o  408.312   91.017   0.8303   0.3332   0.4805   0.4216   1.4130   0.5440  325.367  114.005  526.493  115.472 -201.1261 162.2679 
1 1 1  -12    4   20 o  856.499   58.887   3.4455   0.4613   3.7208   0.6605   3.1834   0.6445  881.870   82.353  813.124   87.512 68.74622 120.1685 
1 1 1  -12    4   21 o  576.130   79.187   1.5958   0.4087   1.8869   0.6113   1.3605   0.5496  615.494  112.072  518.864  117.795 96.63019 162.5909 
1 1 1  -12    4   22 o  827.083   55.670   3.2061   0.4212   3.7729   0.6156   2.7071   0.5776  890.856   75.824  750.293   85.165 140.5628 114.0274 
1 1 1  -12    4   23 o  639.836   98.418   2.0171   0.5609   1.5569   0.7827   2.5029   0.8041  540.775  151.329  698.722  129.854 -157.9471 199.4055 
1 1 1  -12    4   24 o  939.279   72.554   4.2169   0.6222   6.9318   1.2419   3.3069   0.7190  1173.63  116.534  818.850   97.327 354.7770 151.8313 
1 1 1  -12    4   25 o  698.929   74.291   2.3684   0.4705   2.6027   0.6676   2.1372   0.6631  716.325  104.353  640.654  116.783 75.67151 156.6134 
1 1 1  -12    4   26 o  481.155  104.518   1.2115   0.4495   1.7507   0.6665   0.7617   0.6088  563.563  131.014  382.640  136.711 180.9226 189.3531 
1 1 1  -12    6    1 o  1149.20   37.147   6.0861   0.3928   5.9146   0.4469   6.6682   0.8235  1132.59   42.884  1197.59   75.113 -65.00354 86.49257 
1 1 1  -12    6    2 o  1710.26   30.096   13.471   0.4736   13.666   0.6800   13.288   0.6601  1721.65   42.921  1697.70   42.255 23.94873 60.23038 
1 1 1  -12    6    3 f  3471.85   29.966   55.513   0.9573   56.104   1.3780   54.963   1.3310  3488.41   42.929  3452.91   41.891 35.49390 59.98100 
1 1 1  -12    6    4 o  2042.58   28.093   19.212   0.5280   20.111   0.8801   18.706   0.6600  2088.32   45.799  2015.00   35.595 73.31665 58.00459 
1 1 1  -12    6    5 o  974.763   32.638   4.3766   0.2927   4.0203   0.4662   4.6086   0.3762  931.685   54.615  999.934   40.882 -68.24969 68.22137 
1 1 1  -12    6    6 o  999.196   33.268   4.5991   0.3059   4.9595   0.4841   4.3596   0.3946  1036.75   50.743  972.372   44.106 64.38159 67.23286 
1 1 1  -12    6    7 f  1039.75   34.708   4.9814   0.3321   4.9885   0.5217   4.9765   0.4305  1037.90   54.824  1038.71   45.046 -0.8117676 70.95609 
1 1 1  -12    6    8 o  1241.54   32.670   7.1038   0.3732   6.9176   0.5244   7.2949   0.5313  1224.10   46.556  1257.09   45.933 -32.99487 65.40044 
1 1 1  -12    6    9 o  1647.18   32.698   12.511   0.4956   13.144   0.7161   11.930   0.6866  1686.43   46.147  1606.61   46.442 79.81934 65.47072 
1 1 1  -12    6   10 o  1014.89   53.394   4.7904   0.4969   4.8726   0.6381   4.6637   0.7920  1020.11   68.373  992.354   87.631 27.75482 111.1488 
1 1 1  -12    6   11 f  1799.32   34.757   14.961   0.5755   14.244   0.7975   15.741   0.8312  1751.69   49.479  1841.54   49.052 -89.85181 69.67236 
1 1 1  -12    6   12 o  866.574   54.243   3.5137   0.4303   3.6661   0.5860   3.3353   0.6341  879.371   73.080  834.642   83.686 44.72888 111.1039 
1 1 1  -12    6   13 o  1277.60   39.044   7.5713   0.4590   7.6407   0.6521   7.5032   0.6462  1278.18   55.444  1266.62   55.445 11.55420 78.41037 
1 1 1  -12    6   14 o  591.374   58.495   1.6576   0.3141   1.5411   0.4305   1.7903   0.4594  560.532   86.239  605.550   84.762 -45.01825 120.9201 
1 1 1  -12    6   15 o  568.494   60.744   1.5389   0.3128   1.5189   0.4345   1.5604   0.4508  554.831   88.051  561.588   90.290 -6.757141 126.1165 
1 1 1  -12    6   16 o  615.826   56.123   1.7947   0.3145   1.7771   0.4113   1.8194   0.4882  606.172   75.360  607.361   90.082 -1.188416 117.4479 
1 1 1  -12    6   17 o  374.750   84.405   0.6998   0.2841   0.8699   0.3775   0.4778   0.4313  414.103  100.168  324.143  115.145 89.96030 152.6169 
1 1 1  -12    6   18 o  645.436   60.138   1.9738   0.3531   1.7699   0.4607   2.2638   0.5495  602.010   85.585  680.157   90.006 -78.14606 124.2009 
1 1 1  -12    6   19 o  328.828   97.883   0.5323   0.3182   0.9294   0.4179  -0.0150   0.4907  428.616  106.453  257.424  111.715 171.1924 154.3129 
1 1 1  -12    6   20 o  1074.31   51.984   5.3767   0.5139   4.9092   0.6891   5.9623   0.7713  1017.58   74.107  1121.43   75.178 -103.8527 105.5634 
1 1 1  -12    6   21 f  510.458   99.845   1.2904   0.4522   0.6925   0.5450   2.6107   0.8099  382.484  129.804  719.185  127.025 -336.7005 181.6164 
1 1 1  -12    6   22 o  754.927   65.009   2.6938   0.4472   2.7744   0.6003   2.5935   0.6703  758.174   87.668  726.339  103.188 31.83563 135.4009 
1 1 1  -12    6   23 o  885.576   96.569   3.8320   0.7742   3.4227   0.9076   4.9251   1.4832  821.409  123.936  947.096  176.692 -125.6867 215.8239 
1 1 1  -12    6   24 o  397.359  113.628   0.8132   0.4364   0.7775   0.5845   0.8581   0.6558  393.669  134.419  411.615  142.305 -17.94525 195.7532 
1 1 1  -12    6   25 o  954.123   60.104   4.3315   0.5250   3.9350   0.7393   4.7350   0.7457  890.138   91.561  983.232   83.199 -93.09387 123.7155 
1 1 1  -12    6   26 o  304.393  124.341   0.3101   0.5516   0.8318   1.1700   0.1609   0.6255  422.775  177.607  297.172  127.528 125.6034 218.6497 
1 1 1  -12    8    1 o  3033.86   70.904   42.610   1.9794   0.0000   0.0000   42.610   1.9794  ?   ?   3033.86   70.904 0.000000 70.90414 
1 1 1  -12    8    2 o  1665.83   42.030   12.794   0.6443   0.0000   0.0000   12.794   0.6443  ?   ?   1665.83   42.030 0.000000 42.02986 
1 1 1  -12    8    3 o  4450.68   33.144   91.255   1.3574   0.0000   0.0000   91.255   1.3574  ?   ?   4450.68   33.144 0.000000 33.14442 
1 1 1  -12    8    4 o  1726.50   27.389   13.726   0.4351   14.702   0.6879   13.076   0.5618  1785.70   41.863  1684.52   36.244 101.1815 55.37231 
1 1 1  -12    8    5 o  2725.54   28.130   34.212   0.7055   33.729   1.0763   34.575   0.9341  2704.42   43.252  2738.97   37.065 -34.55396 56.96069 
1 1 1  -12    8    6 o  1890.04   28.034   16.454   0.4875   16.100   0.6854   16.816   0.6937  1868.55   39.862  1909.70   39.476 -41.14514 56.10102 
1 1 1  -12    8    7 o  2009.71   29.394   18.610   0.5436   18.132   0.7631   19.102   0.7745  1982.23   41.837  2034.62   41.367 -52.39441 58.83504 
1 1 1  -12    8    8 o  2095.05   30.590   20.236   0.5897   20.374   0.8385   20.100   0.8295  2100.04   43.393  2085.87   43.218 14.16626 61.24311 
1 1 1  -12    8    9 o  616.737   48.812   1.7727   0.2747   1.4135   0.3528   2.3266   0.4380  545.735   72.008  703.194   68.569 -157.4598 99.43211 
1 1 1  -12    8   10 o  543.045   65.467   1.3967   0.3205   1.4436   0.4668   1.3549   0.4409  543.604   96.876  526.976   94.394 16.62830 135.2598 
1 1 1  -12    8   11 o  1508.84   36.287   10.534   0.5038   10.160   0.7040   10.928   0.7213  1477.40   51.783  1532.43   51.152 -55.03296 72.78797 
1 1 1  -12    8   12 o  466.802   80.649   1.0629   0.3339   0.7679   0.4343   1.4890   0.5220  390.631  113.856  544.406  108.023 -153.7753 156.9465 
1 1 1  -12    8   13 o  1039.19   43.072   5.0240   0.4119   4.7440   0.5776   5.3135   0.5875  1001.72   62.987  1061.47   60.394 -59.75323 87.26277 
1 1 1  -12    8   14 o  1117.73   43.076   5.8185   0.4430   5.6882   0.6174   5.9568   0.6361  1096.70   61.425  1122.16   61.846 -25.45874 87.16636 
1 1 1  -12    8   15 o  362.556   86.698   0.6594   0.2853   0.7764   0.4003   0.5386   0.4068  389.133  107.993  333.631  112.142 55.50140 155.6871 
1 1 1  -12    8   16 f  1135.89   46.299   6.0210   0.4839   6.1171   0.6777   5.9211   0.6912  1135.41   65.140  1115.69   67.650 19.71887 93.91299 
1 1 1  -12    8   17 o  342.466   96.061   0.5885   0.3150   0.8250   0.4382   0.3356   0.4531  401.060  113.581  300.169  115.829 100.8910 162.2249 
1 1 1  -12    8   18 o  927.834   49.603   4.0292   0.4220   4.4054   0.5669   3.5619   0.6318  964.875   64.219  860.122   80.778 104.7529 103.1944 
1 1 1  -12    8   19 o  219.306   91.236   0.0701   0.3043   0.3460   0.4063  -0.2826   0.4593  296.216  110.734  218.739  100.371 77.47705 149.4535 
1 1 1  -12    8   20 o  1348.22   61.127   8.5081   0.7583   7.6322   1.0406   9.5003   1.1075  1261.47   90.240  1410.77   85.718 -149.2942 124.4619 
1 1 1  -12    8   21 o  313.302  104.287   0.4569   0.3518   1.2058   0.4968  -0.2969   0.4984  488.693  112.768  228.927  104.863 259.7656 153.9900 
1 1 1  -12    8   22 o  387.172  116.100   0.7509   0.4464   0.7039   0.5670   0.8275   0.7240  384.420  132.357  417.933  149.112 -33.51279 199.3807 
1 1 1  -12    8   23 o  242.342  106.285  -0.0525   0.4543  -0.2455   0.5425   0.4005   0.8314  243.652  110.761  368.454  151.824 -124.8015 187.9321 
1 1 1  -12    8   24 o  316.757  112.333   0.4642   0.4103   0.2126   0.5216   0.8724   0.6645  290.985  120.118  411.889  143.196 -120.9045 186.9046 
1 1 1  -12    8   25 o  635.317   86.206   2.0110   0.4909   2.6769   0.6862   1.3127   0.7027  720.862  106.670  480.842  145.995 240.0191 180.8121 
1 1 1  -12   10    1 o  2969.87   39.181   40.679   1.0707   40.679   1.0707   0.0000   0.0000  2969.87   39.181  ?   ?  0.000000 39.18115 
1 1 1  -12   10    2 o  2281.43   25.347   23.971   0.5321   23.898   0.6754   24.090   0.8639  2277.27   32.232  2285.22   41.083 -7.948486 52.21861 
1 1 1  -12   10    3 o  268.203   49.693   0.3428   0.1181   0.1732   0.1727   0.4919   0.1619  206.724   72.924  321.467   56.818 -114.7425 92.44595 
1 1 1  -12   10    4 o  1589.46   26.203   11.637   0.3832   11.860   0.5467   11.421   0.5374  1603.73   37.050  1573.74   37.107 29.98950 52.43687 
1 1 1  -12   10    5 o  1435.54   28.056   9.4951   0.3706   9.4828   0.5284   9.5070   0.5200  1433.52   40.055  1435.43   39.367 -1.902466 56.16161 
1 1 1  -12   10    6 f  774.233   43.892   2.7782   0.3114   2.8574   0.7292   2.7605   0.3444  772.247  105.364  771.096   48.790 1.151672 116.1125 
1 1 1  -12   10    7 o  930.073   47.873   4.0145   0.4083   2.6162   0.7466   4.6111   0.4877  733.708  114.310  995.961   53.413 -262.2528 126.1736 
1 1 1  -12   10    8 o  1018.33   37.620   4.7931   0.3525   4.5412   0.4627   5.1417   0.5443  988.019   51.064  1050.21   56.533 -62.18665 76.18069 
1 1 1  -12   10    9 o  1327.29   43.467   8.1649   0.5309   8.0076   0.7594   8.3152   0.7424  1309.18   63.039  1334.91   60.442 -25.72595 87.33346 
1 1 1  -12   10   10 o  1347.79   35.891   8.4066   0.4451   8.4312   0.6277   8.3818   0.6313  1345.85   50.689  1341.77   51.129 4.080444 71.99705 
1 1 1  -12   10   11 o  649.686   50.643   1.9800   0.3004   2.3062   0.4331   1.6778   0.4169  696.201   68.491  589.472   78.839 106.7287 104.4345 
1 1 1  -12   10   12 o  188.502   84.319  -0.1063   0.3001   0.1537   0.3915  -0.4767   0.4674  256.333  104.737  202.117   95.510 54.21582 141.7463 
1 1 1  -12   10   13 o  219.982   85.190   0.1611   0.2458   0.3523   0.3530  -0.0188   0.3424  286.119  103.863  214.642   93.237 71.47630 139.5732 
1 1 1  -12   10   14 o  680.672   55.673   2.1918   0.3456   2.5391   0.4869   1.8391   0.4907  725.670   73.958  609.544   90.215 116.1263 116.6554 
1 1 1  -12   10   15 o  379.345   85.022   0.7203   0.2894   0.5385   0.4020   0.9158   0.4170  332.902  111.487  421.707  107.230 -88.80515 154.6856 
1 1 1  -12   10   16 o  1262.96   44.855   7.4381   0.5213   6.6799   0.7144   8.3016   0.7624  1186.16   65.706  1325.95   62.485 -139.7883 90.67363 
1 1 1  -12   10   17 o  688.449   61.886   2.2503   0.3879   3.1269   0.5850   1.5627   0.5181  804.671   80.068  556.071  105.107 248.5991 132.1307 
1 1 1  -12   10   18 o  1358.28   46.543   8.5933   0.5817   9.0077   0.8356   8.2036   0.8103  1382.28   65.695  1316.90   67.094 65.38416 93.90142 
1 1 1  -12   10   19 o  851.806   57.691   3.4083   0.4495   4.1990   0.6604   2.7256   0.6136  938.638   77.143  749.676   90.804 188.9618 119.1489 
1 1 1  -12   10   20 o  894.109   64.455   3.7687   0.5267   3.7491   0.6901   3.7962   0.8153  883.611   85.960  881.657  102.410 1.953979 133.7043 
1 1 1  -12   10   21 o  890.629   56.814   3.7225   0.4632   4.2299   0.6325   3.1357   0.6802  943.612   73.421  803.404   93.773 140.2076 119.0966 
1 1 1  -12   10   22 o  745.354   78.239   2.6697   0.5286   2.1552   0.6669   3.5392   0.8670  652.813  115.231  840.259  115.165 -187.4462 162.9145 
1 1 1  -12   10   23 o  718.020   88.862   2.5294   0.5746   2.6837   0.7242   2.2671   0.9440  727.428  111.763  637.103  160.969 90.32465 195.9640 
1 1 1  -12   10   24 o  544.883   94.872   1.5010   0.4584   1.6687   0.6180   1.2958   0.6834  559.240  123.406  482.643  143.407 76.59674 189.1947 
1 1 1  -12   10   25 o  464.353  112.080   1.1544   0.4734   1.2273   0.6298   1.0598   0.7179  465.522  137.507  432.660  148.928 32.86240 202.7007 
1 1 1  -12   12    1 o  437.170   36.064   0.8883   0.1438   0.8741   0.2136   0.9001   0.1944  430.693   55.158  438.213   49.063 -7.520416 73.82097 
1 1 1  -12   12    2 o  1711.58   26.119   13.502   0.4114   14.053   0.6936   13.203   0.5109  1743.46   43.231  1691.66   32.823 51.80139 54.28007 
1 1 1  -12   12    3 o  897.552   30.634   3.7157   0.2530   3.9002   0.4244   3.6140   0.3151  916.245   50.539  884.529   38.716 31.71655 63.66365 
1 1 1  -12   12    4 o  968.866   32.324   4.3315   0.2882   5.3082   0.4943   3.8285   0.3547  1070.35   50.187  909.927   42.362 160.4220 65.67513 
1 1 1  -12   12    5 o  162.415   66.089   0.0487   0.1551  -0.0151   0.2420   0.0932   0.2020  183.859   79.124  192.242   76.387 -8.383392 109.9803 
1 1 1  -12   12    6 o  1200.64   33.768   6.6589   0.3731   6.6605   0.5135   6.6570   0.5429  1198.63   46.558  1197.77   49.257 0.8565674 67.77859 
1 1 1  -12   12    7 o  578.253   45.695   1.5606   0.2412   1.1698   0.3090   2.1692   0.3856  494.881   69.805  678.654   62.452 -183.7734 93.66426 
1 1 1  -12   12    8 o  397.913   59.940   0.7559   0.2127   0.6224   0.3014   0.8881   0.3000  354.578   91.704  427.034   79.278 -72.45630 121.2211 
1 1 1  -12   12    9 o  985.267   46.658   4.5161   0.4230   4.6164   0.6162   4.4268   0.5817  987.781   68.216  968.170   65.684 19.61060 94.69840 
1 1 1  -12   12   10 o  257.052   81.559   0.3128   0.2166   0.3200   0.3092   0.3058   0.3036  272.810   97.429  268.421   96.476 4.388947 137.1136 
1 1 1  -12   12   11 o  707.282   61.269   2.3742   0.3948   2.7982   0.8495   2.2574   0.4459  732.281  130.882  685.683   71.732 46.59723 149.2500 
1 1 1  -12   12   12 o  494.605   98.816   1.2384   0.4340   0.8457   0.7291   1.4538   0.5401  412.339  149.328  529.781  114.159 -117.4414 187.9655 
1 1 1  -12   12   13 o  248.658   91.938   0.2507   0.2785   0.0208   0.3784   0.5226   0.4115  230.225   99.005  329.356  112.778 -99.13028 150.0697 
1 1 1  -12   12   14 o  502.557   69.062   1.2224   0.3109   1.3451   0.4422   1.1025   0.4373  516.423   96.602  463.075  105.041 53.34756 142.7081 
1 1 1  -12   12   15 f  292.592   95.670   0.4112   0.2966   0.4370   0.4402   0.3899   0.4013  315.565  115.764  300.799  110.506 14.76608 160.0401 
1 1 1  -12   12   16 o  305.585   95.518   0.4576   0.2982  -0.1023   0.4186   1.0343   0.4249  225.463  100.304  449.691  104.641 -224.2283 144.9502 
1 1 1  -12   12   17 o  603.334   69.050   1.7444   0.3764   2.2606   0.5616   1.3232   0.5073  678.043   92.416  508.531  111.484 169.5115 144.8079 
1 1 1  -12   12   18 o  1428.69   48.536   9.5112   0.6381   8.5107   0.8763   10.640   0.9309  1339.93   71.332  1502.34   67.336 -162.4073 98.09385 
1 1 1  -12   12   19 o  1098.25   58.489   5.6589   0.5889   7.2326   0.9703   4.7409   0.7411  1228.50   86.385  995.734   81.599 232.7642 118.8304 
1 1 1  -12   12   20 o  1056.30   70.153   5.2820   0.6780   5.6091   0.9805   4.9822   0.9385  1073.24  100.452  1009.94  102.408 63.29938 143.4508 
1 1 1  -12   12   21 o  537.245   83.585   1.4074   0.3998   1.5536   0.5425   1.2336   0.5914  554.666  110.180  486.941  129.669 67.72455 170.1584 
1 1 1  -12   12   22 o  296.775  125.284   0.1449   0.5868   0.7648   0.7015  -1.2999   1.0709  400.836  146.268  283.607  136.833 117.2288 200.2932 
1 1 1  -12   12   23 o  779.640   69.212   2.9206   0.4914   2.9916   0.6447   2.8222   0.7590  776.923   91.962  739.901  115.236 37.02148 147.4326 
1 1 1  -12   12   24 o  620.483   85.740   1.9229   0.4765   2.1549   0.6200   1.5884   0.7445  643.051  108.658  524.838  147.851 118.2137 183.4843 
1 1 1  -12   14    1 o  427.636   43.743   0.8573   0.1697   0.9585   0.2285   0.7329   0.2534  449.794   56.451  388.341   73.618 61.45282 92.77004 
1 1 1  -12   14    2 o  1134.18   46.306   5.9748   0.4833   5.8863   1.0015   6.0017   0.5518  1103.02   99.752  1135.11   52.826 -32.08728 112.8764 
1 1 1  -12   14    3 o  834.099   39.956   3.2235   0.3067   2.9087   0.4112   3.6181   0.4603  787.464   57.138  878.644   57.248 -91.17993 80.88325 
1 1 1  -12   14    4 o  893.931   36.128   3.6983   0.2972   3.4204   0.4533   3.9079   0.3936  853.843   58.038  915.908   46.854 -62.06433 74.59059 
1 1 1  -12   14    5 o  669.093   40.761   2.0836   0.2498   1.9411   0.4096   2.1679   0.3151  638.278   70.939  680.463   50.692 -42.18506 87.18934 
1 1 1  -12   14    6 o  522.670   48.653   1.2825   0.2313   1.5930   0.3886   1.1122   0.2879  575.802   75.134  482.010   66.688 93.79239 100.4605 
1 1 1  -12   14    7 o  495.700   54.091   1.1618   0.2427   1.0725   0.4051   1.2118   0.3032  462.759   98.175  502.838   67.203 -40.07907 118.9731 
1 1 1  -12   14    8 o  975.651   41.785   4.4260   0.3751   4.2509   0.5985   4.5393   0.4814  945.207   69.299  983.421   53.401 -38.21405 87.48708 
1 1 1  -12   14    9 o  212.375   90.249   0.0328   0.3078   0.3489   0.5804  -0.0909   0.3630  322.692  129.070  210.749   93.600 111.9430 159.4367 
1 1 1  -12   14   10 o  210.238   83.554   0.1260   0.2417   0.1103   0.3654   0.1381   0.3223  241.160  100.125  234.982   95.407 6.177322 138.3022 
1 1 1  -12   14   11 o  902.107   55.170   3.8447   0.4558   3.7185   0.6165   3.9968   0.6768  876.262   77.250  905.814   82.091 -29.55133 112.7232 
1 1 1  -12   14   12 o  295.672   91.470   0.4321   0.2742   0.4284   0.3789   0.4361   0.3974  304.624  107.955  308.502  110.436 -3.878174 154.4355 
1 1 1  -12   14   13 f  613.410   58.658   1.7921   0.3271   1.9107   0.4607   1.6715   0.4644  623.789   82.263  579.293   90.046 44.49585 121.9652 
1 1 1  -12   14   14 o  671.319   58.005   2.1402   0.3548   2.3292   0.5031   1.9531   0.5004  690.918   80.647  628.064   89.089 62.85406 120.1698 
1 1 1  -12   14   15 o  612.726   63.923   1.7952   0.3551   1.6371   0.5076   1.9466   0.4969  569.546  100.536  628.042   88.434 -58.49634 133.8961 
1 1 1  -12   14   16 o  428.461  106.323   0.9407   0.4172   1.9145   1.0408   0.7542   0.4554  577.084  178.142  384.445  117.695 192.6386 213.5099 
1 1 1  -12   14   17 o  623.337   94.481   1.9163   0.5249   2.7773   1.1659   1.6974   0.5879  700.453  179.941  577.156  114.737 123.2971 213.4091 
1 1 1  -12   14   18 o  669.986   73.624   2.1474   0.4464   2.3849   0.7069   1.9899   0.5757  688.611  115.672  633.719  102.204 54.89191 154.3554 
1 1 1  -12   14   19 o  1112.48   54.495   5.7822   0.5578   5.1381   0.7879   6.4296   0.7899  1035.16   83.429  1163.42   74.171 -128.2589 111.6322 
1 1 1  -12   14   20 o  998.332   73.167   4.7450   0.6675   5.0811   0.9695   4.4422   0.9203  1015.60  105.268  947.742  107.428 67.85358 150.4065 
1 1 1  -12   14   21 o  182.956   87.527  -0.5265   0.4175  -0.9885   0.5277   0.2461   0.6824  184.204   90.436  326.877  136.361 -142.6733 163.6244 
1 1 1  -12   14   22 o  308.912  119.329   0.3733   0.4813   0.8050   0.6237  -0.2623   0.7568  397.959  138.714  286.152  130.364 111.8065 190.3589 
1 1 1  -12   14   23 o  875.766   68.082   3.6985   0.5443   4.1122   0.7414   3.2147   0.8017  908.766   89.840  784.704  114.395 124.0618 145.4555 
1 1 1  -12   14   24 o  236.805  103.407   0.0117   0.4260  -0.1907   0.5473   0.3225   0.6783  242.410  110.603  321.424  135.140 -79.01367 174.6306 
1 1 1  -12   16    1 o  451.493   46.398   0.9609   0.1900   1.1708   0.2491   0.6685   0.2939  496.502   55.464  364.863   88.461 131.6393 104.4111 
1 1 1  -12   16    2 o  1253.52   34.939   7.2867   0.4030   7.2385   0.5603   7.3384   0.5800  1244.66   48.926  1252.67   50.319 -8.010254 70.18377 
1 1 1  -12   16    3 o  1067.30   36.831   5.2868   0.3617   5.2325   0.5175   5.3388   0.5058  1055.47   53.457  1068.12   51.464 -12.65759 74.20359 
1 1 1  -12   16    4 o  636.535   46.018   1.8995   0.2677   1.7678   0.3803   2.0289   0.3769  606.770   69.365  652.605   63.574 -45.83472 94.09142 
1 1 1  -12   16    5 o  1288.02   38.383   7.7089   0.4549   7.8535   0.6568   7.5757   0.6307  1293.24   55.196  1270.74   53.936 22.49536 77.17301 
1 1 1  -12   16    6 o  303.795   79.397   0.4596   0.2244   0.1478   0.3452   0.6879   0.2954  242.750   98.668  369.718   88.074 -126.9678 132.2592 
1 1 1  -12   16    7 o  366.558   73.287   0.6634   0.2386   0.6882   0.3840   0.6478   0.3044  366.475  107.120  357.478   92.008 8.997375 141.2093 
1 1 1  -12   16    8 f  187.336   83.616  -0.0901   0.2934   1.0453   0.6267  -0.4088   0.3321  440.191  138.624  164.155   78.404 276.0359 159.2606 
1 1 1  -12   16    9 o  147.838   69.412  -0.2310   0.2399  -0.4469   0.3889  -0.0984   0.3047  179.307   85.420  189.763   84.917 -10.45546 120.4465 
1 1 1  -12   16   10 o  207.398   85.976   0.0784   0.2689   0.0955   0.4474   0.0687   0.3364  256.976  108.987  225.168   94.946 31.80725 144.5437 
1 1 1  -12   16   11 o  652.292   73.481   2.0680   0.4334   2.8669   0.6129   1.2695   0.6128  760.228   89.323  481.631  133.594 278.5969 160.7045 
1 1 1  -12   16   12 o  344.913   95.978   0.6074   0.3158   0.6958   0.4876   0.5436   0.4144  368.897  122.761  332.567  113.185 36.32993 166.9764 
1 1 1  -12   16   13 o  251.041   92.934   0.2577   0.2848   0.4552   0.4636   0.1380   0.3609  320.305  118.570  243.907  100.212 76.39775 155.2458 
1 1 1  -12   16   14 o  694.830   61.917   2.3018   0.3917   2.9628   0.6271   1.8788   0.5016  775.186   89.564  614.520   91.503 160.6665 128.0413 
1 1 1  -12   16   15 o  188.315   84.119  -0.0974   0.2976   0.0867   0.4656  -0.2245   0.3870  262.190  111.191  201.529   92.347 60.66052 144.5383 
1 1 1  -12   16   16 o  221.234   92.392   0.0707   0.3138  -0.0808   0.4936   0.1735   0.4065  248.690  109.857  263.013  107.007 -14.32288 153.3599 
1 1 1  -12   16   17 o  224.445   94.430   0.0557   0.3315   0.5776   0.5159  -0.3114   0.4327  354.814  125.952  207.559   96.021 147.2546 158.3795 
1 1 1  -12   16   18 o  269.837  103.890   0.2564   0.3639   0.4742   0.5631   0.1001   0.4769  342.806  129.885  269.225  113.259 73.58078 172.3304 
1 1 1  -12   16   19 o  696.259   76.571   2.3307   0.4825   2.6077   0.6505   1.9922   0.7193  726.533   99.951  618.878  130.419 107.6548 164.3145 
1 1 1  -12   16   20 o  863.396   69.077   3.5556   0.5442   3.5216   0.7536   3.5927   0.7867  843.997   98.917  850.381  102.605 -6.384460 142.5212 
1 1 1  -12   16   21 o  536.874  121.948   1.5220   0.5887   3.2785   1.4551   1.1782   0.6438  716.643  208.254  465.856  139.357 250.7876 250.5800 
1 1 1  -12   16   22 o  383.786  149.319   0.6947   0.7579   1.7478   1.5094   0.3397   0.8763  523.070  208.501  354.757  151.556 168.3131 257.7634 
1 1 1  -12   16   23 o  205.075   96.320  -0.3695   0.4626  -0.9440   0.6600   0.1853   0.6486  213.788  104.137  301.059  129.543 -87.27081 166.2107 
1 1 1  -12   16   24 o  337.491  147.041   0.3177   0.8569   0.5567   1.0744  -0.1004   1.4208  377.996  164.666  362.915  169.925 15.08099 236.6209 
1 1 1  -12   18    1 o  1069.38   38.549   5.3332   0.3793   5.6299   0.5183   4.9911   0.5566  1092.94   51.538  1023.57   59.355 69.38000 78.60748 
1 1 1  -12   18    2 o  535.356   49.303   1.3579   0.2401   1.0953   0.3111   1.7454   0.3778  471.601   74.126  599.469   69.801 -127.8685 101.8178 
1 1 1  -12   18    3 o  622.708   47.967   1.8305   0.2727   1.9546   0.3832   1.7030   0.3883  636.440   66.408  590.813   72.971 45.62671 98.66511 
1 1 1  -12   18    4 o  449.332   58.662   0.9717   0.2368   1.1418   0.3553   0.8359   0.3175  477.714   83.887  405.858   87.592 71.85593 121.2821 
1 1 1  -12   18    5 o  334.808   75.039   0.5610   0.2255   0.6712   0.3513   0.4838   0.2940  359.886  101.618  309.719   94.522 50.16721 138.7829 
1 1 1  -12   18    6 o  399.043   73.165   0.7888   0.2588   0.9316   0.3914   0.6779   0.3449  422.943  101.798  361.622  100.188 61.32056 142.8302 
1 1 1  -12   18    7 o  210.798   85.335   0.1150   0.2570  -0.1378   0.3703   0.3501   0.3571  204.600   92.404  282.625  104.177 -78.02480 139.2534 
1 1 1  -12   18    8 o  251.376   98.165   0.2255   0.3285   1.0050   0.7040   0.0086   0.3714  427.350  147.460  224.493   97.306 202.8577 176.6721 
1 1 1  -12   18    9 o  396.612   85.285   0.7970   0.3020   1.2615   0.4794   0.4914   0.3888  489.777  109.168  317.262  109.583 172.5152 154.6802 
1 1 1  -12   18   10 f  479.542   88.777   1.1611   0.3773   1.0420   0.5066   1.3095   0.5655  439.929  121.243  491.455  124.812 -51.52618 174.0049 
1 1 1  -12   18   11 o  512.397   76.515   1.2922   0.3497   1.1514   0.5591   1.3827   0.4482  460.490  127.554  520.741   97.115 -60.25153 160.3168 
1 1 1  -12   18   12 o  141.399   68.424  -0.4183   0.2728  -0.6437   0.4329  -0.2700   0.3513  177.335   85.906  184.096   85.630 -6.760483 121.2947 
1 1 1  -12   18   13 o  295.646   99.245   0.4189   0.3186   1.1000   0.5294   0.0322   0.3989  454.146  123.451  236.773  101.729 217.3729 159.9658 
1 1 1  -12   18   14 o  1021.76   54.531   4.9199   0.5108   5.9633   0.8577   4.3463   0.6359  1107.17   84.836  951.112   73.227 156.0552 112.0680 
1 1 1  -12   18   15 o  485.493   88.217   1.1691   0.3796   1.1147   0.6025   1.2050   0.4888  459.190  134.170  483.880  111.993 -24.68948 174.7680 
1 1 1  -12   18   16 o  206.465   91.421  -0.0832   0.3438   1.0577   0.6040  -0.6299   0.4181  450.092  135.067  175.526   84.884 274.5657 159.5254 
1 1 1  -12   18   17 o  736.294   76.181   2.6035   0.5087   3.0033   0.9802   2.4562   0.5951  752.665  146.806  707.483   93.714 45.18243 174.1673 
1 1 1  -12   18   18 o  269.245  104.663   0.2495   0.3721  -0.0998   0.6059   0.4610   0.4715  273.176  121.146  326.272  119.784 -53.09592 170.3659 
1 1 1  -12   18   19 o  902.834   89.247   3.9850   0.7317   3.6191   1.4940   4.1005   0.8393  766.508  206.968  907.812  102.252 -141.3034 230.8488 
1 1 1  -12   18   20 o  619.912  103.374   1.9549   0.5689   1.8375   0.8401   2.0544   0.7731  568.665  155.900  612.852  140.148 -44.18677 209.6339 
1 1 1  -12   18   21 o  267.274  115.580   0.0643   0.5215  -0.7202   0.6739   1.2358   0.8235  232.076  111.075  462.737  159.492 -230.6604 194.3584 
1 1 1  -12   18   22 o  199.964   94.880  -0.4511   0.4703   0.0511   0.7808  -0.7372   0.5893  306.771  136.696  209.411  101.150 97.36052 170.0504 
1 1 1  -12   18   23 o  283.459  134.116  -0.5090   0.9269   0.5877   1.3327  -1.5364   1.2899  393.940  176.840  286.265  140.716 107.6749 225.9937 
1 1 1  -12   20    1 o  1020.76   43.126   4.8938   0.4051   4.6114   0.5301   5.2900   0.6280  980.617   59.021  1045.60   65.602 -64.98309 88.24424 
1 1 1  -12   20    2 o  375.085   74.539   0.7070   0.2482   0.6040   0.3122   0.8838   0.4091  340.006   95.731  405.742  107.763 -65.73575 144.1437 
1 1 1  -12   20    3 o  992.435   43.467   4.6236   0.3969   4.5453   0.5413   4.7147   0.5839  973.141   60.750  988.562   64.544 -15.42053 88.63618 
1 1 1  -12   20    4 o  216.777   81.697   0.1839   0.2220   0.3698   0.3240   0.0193   0.3048  280.634   99.794  205.889   88.696 74.74512 133.5140 
1 1 1  -12   20    5 o  683.392   53.892   2.2261   0.3361   2.6252   0.4940   1.8819   0.4587  731.446   74.436  613.346   83.442 118.1000 111.8178 
1 1 1  -12   20    6 o  1272.81   43.870   7.6002   0.5138   7.5550   0.7485   7.6404   0.7065  1253.08   65.143  1265.07   60.694 -11.99255 89.03621 
1 1 1  -12   20    7 o  1318.46   56.057   8.2493   0.6801   6.7204   1.3736   8.7458   0.7828  1103.90  138.259  1352.22   62.910 -248.3206 151.8987 
1 1 1  -12   20    8 o  296.265   95.473   0.4379   0.2960   0.7180   0.4656   0.2480   0.3834  368.850  119.833  266.000  105.380 102.8499 159.5770 
1 1 1  -12   20    9 o  480.763   79.601   1.1512   0.3398   1.3327   0.4853   0.9766   0.4760  503.545  107.977  426.003  117.580 77.54175 159.6369 
1 1 1  -12   20   10 o  300.021  114.980   0.3727   0.4444   0.1031   0.4921   1.5651   1.0348  266.637  113.731  507.606  178.570 -240.9692 211.7122 
1 1 1  -12   20   11 o  927.184   59.878   4.0942   0.5081   3.6601   0.7156   4.5356   0.7216  856.873   92.209  961.944   82.321 -105.0710 123.6087 
1 1 1  -12   20   12 o  220.112   92.606   0.0663   0.3189  -0.5212   0.5087   0.4466   0.4092  207.902   98.653  311.548  112.005 -103.6468 149.2569 
1 1 1  -12   20   13 o  558.515   78.106   1.5248   0.3904   1.4587   0.6198   1.5683   0.5027  522.007  129.628  555.748  102.063 -33.74078 164.9858 
1 1 1  -12   20   14 o  302.864  106.476   0.4179   0.3679  -0.4286   0.5823   0.9800   0.4746  236.070  109.955  434.444  116.376 -198.3746 160.1046 
1 1 1  -12   20   15 o  1026.94   57.949   4.9702   0.5453   5.4033   0.9144   4.7311   0.6794  1049.99   95.692  994.012   74.829 55.98041 121.4756 
1 1 1  -12   20   16 o  720.814   79.412   2.5125   0.5180   1.4405   0.8650   3.1118   0.6468  512.357  163.021  798.008   89.629 -285.6517 186.0352 
1 1 1  -12   20   17 o  262.729  106.964   0.1762   0.4065   0.1406   0.6316   0.2013   0.5312  304.000  129.235  292.697  121.052 11.30304 177.0741 
1 1 1  -12   20   18 o  386.852  118.406   0.7740   0.4609   0.9892   0.7695   0.6536   0.5756  434.859  153.873  368.813  132.813 66.04608 203.2640 
1 1 1  -12   20   19 o  320.657  136.242   0.2255   0.7012   1.3484   1.4513  -0.1165   0.8009  492.675  201.517  303.545  136.604 189.1305 243.4535 
1 1 1  -12   20   20 o  194.708   91.555  -0.3625   0.4200  -0.4439   0.6180  -0.2927   0.5725  237.917  111.612  240.097  110.854 -2.179916 157.3083 
1 1 1  -12   20   21 o  378.698  135.275   0.7896   0.5960   0.9442   0.7987   0.5955   0.8954  406.919  154.573  370.187  155.436 36.73248 219.2106 
1 1 1  -12   20   22 o  507.496  149.615   1.6139   0.7462   1.5289   1.0879   1.6895   1.0255  467.140  179.690  490.327  177.173 -23.18744 252.3466 
1 1 1  -12   22    1 o  557.811   77.003   1.5547   0.3847   1.7310   0.4205   0.6484   0.9531  587.339   79.872  380.149  160.033 207.1895 178.8579 
1 1 1  -12   22    2 o  420.526   80.137   0.8976   0.2988   0.8715   0.3744   0.9432   0.4956  404.505  100.929  411.225  122.112 -6.720917 158.4236 
1 1 1  -12   22    3 o  372.929   78.785   0.7068   0.2619   0.4120   0.3301   1.2074   0.4302  290.142  100.926  478.307  100.908 -188.1652 142.7181 
1 1 1  -12   22    4 o  237.788   89.877   0.2285   0.2692   0.4547   0.3644  -0.0434   0.3994  303.527  106.006  222.725   98.585 80.80298 144.7633 
1 1 1  -12   22    5 o  201.485   84.511   0.0648   0.2642  -0.4591   0.3699   0.6106   0.3776  170.517   81.791  341.065  107.619 -170.5473 135.1729 
1 1 1  -12   22    6 o  580.243   87.169   1.7006   0.4510   0.3064   0.9881   2.0675   0.5069  357.959  156.871  639.905   88.456 -281.9459 180.0914 
1 1 1  -12   22    7 o  1449.94   50.265   9.9228   0.6706   9.6354   0.8850   10.310   1.0278  1414.05   68.013  1451.62   77.225 -37.57300 102.9053 
1 1 1  -12   22    8 o  508.639   79.546   1.2886   0.3601   1.4834   0.5210   1.1104   0.4983  529.331  110.540  452.617  118.311 76.71466 161.9151 
1 1 1  -12   22    9 o  318.860  116.407   0.4761   0.4444   0.5249   0.4873   0.2354   1.0821  332.443  121.825  367.723  162.540 -35.28030 203.1267 
1 1 1  -12   22   10 o  706.548   68.137   2.4101   0.4375   2.0917   0.6186   2.7287   0.6188  634.857  109.876  737.840   93.223 -102.9832 144.0948 
1 1 1  -12   22   11 o  608.745   75.271   1.8067   0.4126   1.9405   0.5975   1.6847   0.5705  612.994  109.978  568.548  113.035 44.44641 157.7093 
1 1 1  -12   22   12 o  569.171   85.468   1.5999   0.4338   1.6049   0.6533   1.5960   0.5801  546.974  131.441  552.775  117.664 -5.801514 176.4134 
1 1 1  -12   22   13 o  220.610   94.954   0.0099   0.3487   0.0898   0.5267  -0.0525   0.4652  276.152  117.722  243.759  107.213 32.39314 159.2264 
1 1 1  -12   22   14 o  779.608   71.230   2.9152   0.5053   2.6417   0.8883   3.0461   0.6145  701.489  142.472  789.929   85.923 -88.43988 166.3763 
1 1 1  -12   22   15 o  461.226  109.687   1.0992   0.4587   0.6177   0.7780   1.3557   0.5679  384.076  150.766  507.310  122.945 -123.2334 194.5407 
1 1 1  -12   22   16 o  967.873   66.286   4.4711   0.5868   3.9078   0.8979   4.8911   0.7752  874.408  114.334  1001.20   84.951 -126.7914 142.4396 
1 1 1  -12   22   17 o  1131.15   62.510   6.0955   0.6481   7.2122   1.0687   5.4460   0.8151  1202.22   97.447  1054.00   84.759 148.2146 129.1508 
1 1 1  -12   22   18 o  304.729  131.946   0.1362   0.6814  -0.2294   1.2367   0.2956   0.8166  352.618  162.848  341.122  146.028 11.49680 218.7318 
1 1 1  -12   22   19 o  277.557  114.336   0.2340   0.4714   0.6620   0.7163  -0.0929   0.6260  368.040  144.598  267.744  120.607 100.2968 188.2936 
1 1 1  -12   22   20 o  394.460  125.914   0.8884   0.5157   1.9617   0.8479   0.2581   0.6497  554.745  158.307  304.005  130.200 250.7397 204.9714 
1 1 1  -12   22   21 o  447.745  176.043   1.4191   1.0624   1.4191   1.0624   0.0000   0.0000  447.745  176.043  ?   ?  0.000000 176.0431 
1 1 1  -12   24    1 o  659.196   64.221   2.1153   0.3846   1.8579   0.4961   2.5029   0.6088  600.180   92.829  693.970   98.075 -93.78992 135.0405 
1 1 1  -12   24    2 o  486.045   78.939   1.1897   0.3409   0.9027   0.4435   1.6045   0.5331  405.430  114.071  546.137  109.894 -140.7075 158.3946 
1 1 1  -12   24    3 o  406.023   89.453   0.8547   0.3252   0.4155   0.4050   1.6518   0.5456  298.551  110.763  554.511  110.811 -255.9596 156.6761 
1 1 1  -12   24    4 f  805.273   56.228   3.1024   0.4140   2.7071   0.5580   3.5867   0.6176  734.941   84.018  850.129   79.886 -115.1882 115.9348 
1 1 1  -12   24    5 o  373.904  148.181   0.6731   0.7583   1.1556   1.1455   0.2967   1.0117  446.879  180.413  358.460  157.871 88.41882 239.7329 
1 1 1  -12   24    6 f  433.701  107.200   1.0018   0.4254   1.0006   0.4724   1.0066   0.9778  429.174  116.595  428.753  168.786 0.4214783 205.1414 
1 1 1  -12   24    7 o  314.264  100.403   0.5008   0.3278   0.2877   0.4541   0.7329   0.4739  285.423  114.162  371.879  120.898 -86.45605 166.2802 
1 1 1  -12   24    8 o  287.051  112.296   0.3144   0.4305  -0.0247   0.4619   2.5557   1.1874  243.047  106.864  630.492  189.410 -387.4451 217.4760 
1 1 1  -12   24    9 o  613.954   72.704   1.8347   0.4028   2.1127   0.6048   1.6132   0.5399  641.019  106.257  556.836  109.270 84.18256 152.4151 
1 1 1  -12   24   10 o  690.624   69.623   2.3003   0.4364   1.7179   0.6068   2.9241   0.6281  570.970  119.344  767.942   90.628 -196.9724 149.8549 
1 1 1  -12   24   11 o  373.119  104.916   0.7167   0.3753   0.8444   0.5558   0.6097   0.5087  401.998  130.945  354.498  125.149 47.49997 181.1318 
1 1 1  -12   24   12 o  225.038   97.979  -0.0162   0.3799   0.4421   0.6138  -0.3007   0.4837  338.625  133.598  220.819  101.931 117.8068 168.0427 
1 1 1  -12   24   13 f  575.265   99.398   1.6745   0.5071   0.4016   0.7839   2.5907   0.6650  355.369  147.018  715.464  104.066 -360.0951 180.1228 
1 1 1  -12   24   14 f  386.645  118.643   0.7809   0.4624   2.0454   0.8244   0.2002   0.5586  604.159  149.176  294.699  123.192 309.4605 193.4675 
1 1 1  -12   24   15 o  292.226  111.967   0.3453   0.4214   0.9462   0.6484  -0.0940   0.5544  418.770  141.581  257.451  114.918 161.3191 182.3491 
1 1 1  -12   24   16 o  319.957  115.547   0.4894   0.4361   0.5537   0.6940   0.4475   0.5606  356.582  141.616  326.560  128.045 30.02209 190.9202 
1 1 1  -12   24   17 o  740.998   98.030   2.8271   0.6520   2.8789   1.0492   2.7945   0.8322  680.343  168.486  707.161  132.763 -26.81769 214.5076 
1 1 1  -12   24   18 o  464.606  170.541   1.4237   0.9556   0.0000   0.0000   1.4237   0.9556  ?   ?   464.606  170.541 0.000000 170.5413 
1 1 1  -12   24   19 o  368.085  127.246   0.7807   0.5244   0.3729   0.8221   1.0603   0.6808  330.453  143.998  412.935  144.865 -82.48172 204.2576 
1 1 1  -12   26    1 o  441.792   95.500   1.0187   0.3769   1.0589   0.4797   0.9538   0.6093  439.488  116.671  410.993  137.255 28.49506 180.1412 
1 1 1  -12   26    2 o  260.644  100.930   0.2656   0.3450   0.0105   0.4232   0.7708   0.5956  236.068  103.080  379.120  135.248 -143.0522 170.0517 
1 1 1  -12   26    3 o  1062.05   76.831   5.5362   0.7458   3.2758   1.3857   6.4578   0.8848  683.937  204.427  1139.57   84.995 -455.6309 221.3920 
1 1 1  -12   26    4 o  302.490  121.216   0.3404   0.5130   2.0191   1.2580   0.0056   0.5618  545.805  196.359  267.121  117.642 278.6843 228.9033 
1 1 1  -12   26    5 o  328.101  102.009   0.5530   0.3406   0.4952   0.4400   0.6392   0.5379  321.413  116.069  356.394  128.379 -34.98154 173.0701 
1 1 1  -12   26    6 o  678.358   67.688   2.2269   0.4169   2.0346   0.5546   2.4768   0.6321  631.300   98.696  695.534  101.778 -64.23376 141.7728 
1 1 1  -12   26    7 o  407.133  117.996   0.8849   0.4677   1.1991   0.5200  -0.4465   1.0703  472.321  119.535  320.339  149.158 151.9821 191.1455 
1 1 1  -12   26    8 o  545.554   85.583   1.4849   0.4155   1.5409   0.5857   1.4282   0.5895  536.472  121.478  513.621  125.737 22.85083 174.8337 
1 1 1  -12   26    9 o  657.188   76.935   2.1117   0.4564   1.9842   0.6442   2.2403   0.6468  613.375  118.425  657.641  110.828 -44.26611 162.1949 
1 1 1  -12   26   10 o  271.534  117.871   0.0440   0.5466   0.0564   0.6033  -0.0132   1.2914  284.342  123.632  377.247  171.257 -92.90567 211.2203 
1 1 1  -12   26   11 o  424.272  136.634   0.9784   0.6062   1.2608   0.7038   0.1662   1.1936  473.342  146.548  378.003  168.684 95.33920 223.4513 
1 1 1  -12   26   12 o  614.914   98.391   1.9267   0.5379   1.9676   0.8254   1.8966   0.7093  584.474  152.034  586.682  134.287 -2.207153 202.8477 
1 1 1  -12   26   13 o  433.076  123.061   1.0229   0.5135   2.1240   0.8518   0.3942   0.6436  603.699  153.107  329.623  134.436 274.0756 203.7518 
1 1 1  -12   26   14 o  893.376   75.360   3.9156   0.6137   4.5547   0.9015   3.3635   0.8379  936.293  106.531  793.153  118.430 143.1396 159.2938 
1 1 1  -12   26   15 o  289.347  117.233   0.3040   0.4856  -0.7994   0.6946   1.3587   0.6791  228.000  110.053  478.368  143.134 -250.3688 180.5518 
1 1 1  -12   26   16 o  351.740  125.606   0.6736   0.5138   0.4304   0.6894   0.9776   0.7708  328.293  137.011  404.790  152.289 -76.49777 204.8510 
1 1 1  -12   26   17 o  230.134  109.639  -0.5064   0.6409  -1.4295   1.3700  -0.2478   0.7251  290.918  143.392  263.568  122.740 27.35007 188.7492 
1 1 1  -12   26   18 f  223.069  102.484  -0.1516   0.4809   0.6900   0.8090  -0.6116   0.5981  353.907  148.123  212.361  102.406 141.5461 180.0763 
1 1 1  -12   28    1 f  362.353  133.190   0.6770   0.5831   0.6931   1.1227   0.6711   0.6824  401.204  171.473  367.757  142.079 33.44720 222.6868 
1 1 1  -12   28    2 o  251.264  113.344  -0.1224   0.5552  -0.1776   1.0758  -0.1024   0.6481  331.452  152.650  271.999  122.603 59.45300 195.7893 
1 1 1  -12   28    3 o  620.855   82.815   1.9263   0.4613   1.8291   0.6011   2.0655   0.7196  583.690  116.006  608.539  132.278 -24.84808 175.9396 
1 1 1  -12   28    4 o  841.749   66.334   3.4255   0.5096   3.7518   0.6673   2.9689   0.7895  868.400   84.580  745.346  119.121 123.0547 146.0946 
1 1 1  -12   28    5 o  522.495  128.028   1.5123   0.6107   3.6012   1.6174   1.1649   0.6595  694.610  223.122  451.721  142.199 242.8890 264.5826 
1 1 1  -12   28    6 o  816.581   93.875   3.3712   0.6925   3.3712   0.6925   0.0000   0.0000  816.581   93.875  ?   ?  0.000000 93.87548 
1 1 1  -12   28    7 o  560.367   96.702   1.6127   0.4806   1.9077   0.7076   1.3602   0.6548  584.154  134.432  488.665  139.008 95.48969 193.3785 
1 1 1  -12   28    8 o  230.812   99.062   0.0479   0.3775   0.1971   0.5038  -0.1433   0.5701  279.853  116.990  253.303  114.506 26.54996 163.7016 
1 1 1  -12   28    9 o  268.759  109.940   0.2156   0.4320   0.6180   0.6389  -0.1234   0.5864  358.517  137.757  258.313  116.508 100.2037 180.4194 
1 1 1  -12   28   10 o  953.460   79.552   4.4924   0.6916   3.4765   0.9357   5.7154   1.0267  791.650  133.180  1046.94  108.130 -255.2869 171.5489 
1 1 1  -12   28   11 o  601.412   96.873   1.8731   0.5179   2.4650   0.7738   1.3927   0.6970  662.828  131.505  484.699  145.014 178.1288 195.7615 
1 1 1  -12   28   12 o  677.971   87.871   2.3419   0.5353   2.8321   0.8216   1.9803   0.7056  708.077  130.923  586.706  133.677 121.3715 187.1104 
1 1 1  -12   28   13 o  242.953  106.936   0.0198   0.4636  -0.2532   0.6422   0.3169   0.6699  252.210  116.783  312.430  132.964 -60.22076 176.9679 
1 1 1  -12   28   14 o  749.194  101.826   3.0090   0.6838   2.5611   0.8687   3.7384   1.1085  638.132  150.410  757.453  163.815 -119.3209 222.3926 
1 1 1  -12   28   15 o  427.466  133.299   1.1403   0.5811   1.4730   0.7638   0.6830   0.8954  464.539  153.610  358.008  153.074 106.5313 216.8592 
1 1 1  -12   28   16 o  280.689  136.100  -0.6661   1.0929  -0.7549   1.4920  -0.5633   1.6054  312.289  153.066  326.116  159.617 -13.82770 221.1488 
1 1 1  -12   30    1 f  287.726  116.355   0.3222   0.4773   0.5876   0.6330  -0.0277   0.7268  343.692  135.647  285.764  129.223 57.92770 187.3469 
1 1 1  -12   30    2 o  461.081  121.599   1.2093   0.5233   1.0178   0.6632   1.5254   0.8519  413.112  143.086  483.786  162.291 -70.67395 216.3608 
1 1 1  -12   30    3 f  271.679  111.053   0.2509   0.4404   0.2536   0.5419   0.2457   0.7558  288.312  120.983  316.813  138.062 -28.50107 183.5699 
1 1 1  -12   30    4 o  252.188  111.203   0.0194   0.5035  -0.1121   0.5463   0.7613   1.2974  246.826  111.788  404.150  178.344 -157.3241 210.4834 
1 1 1  -12   30    5 o  418.015  129.529   1.0101   0.5497   0.8167   0.6034   1.9528   1.3324  380.536  136.090  507.883  197.881 -127.3469 240.1611 
1 1 1  -12   30    6 o  480.143  108.749   1.2588   0.4693   0.8015   0.6140   1.9013   0.7278  377.654  136.995  565.038  140.562 -187.3841 196.2782 
1 1 1  -12   30    7 o  571.803   94.811   1.7120   0.4814   1.3108   0.6370   2.2460   0.7350  467.289  138.362  623.284  132.249 -155.9954 191.3994 
1 1 1  -12   30    8 o  748.109   80.133   2.8250   0.5430   3.0620   0.7610   2.5790   0.7752  747.339  114.289  668.843  130.641 78.49597 173.5773 
1 1 1  -12   30    9 o  347.559  119.961   0.6703   0.4659   0.5962   0.6594   0.7441   0.6585  343.734  137.542  364.805  139.926 -21.07095 196.2067 
1 1 1  -12   30   10 o  826.166   79.058   3.4618   0.5937   2.9397   0.8135   4.0567   0.8684  709.727  129.325  856.069  113.000 -146.3421 171.7382 
1 1 1  -12   30   11 o  417.005  122.862   1.0379   0.5034   1.3459   0.7282   0.7561   0.6965  449.382  150.053  360.435  142.278 88.94727 206.7821 
1 1 1  -12   30   12 o  230.481  105.696  -0.1234   0.5083   0.5377   0.6915  -0.9009   0.7498  327.270  136.955  223.972  109.509 103.2978 175.3539 
1 1 1  -12   30   13 o  230.804  104.782  -0.0496   0.4835   0.0365   0.6552  -0.1526   0.7164  267.315  121.596  260.561  121.561 6.754669 171.9379 
1 1 1  -12   30   14 o  295.734  123.287   0.4272   0.5573   0.3231   0.7235   0.5791   0.8740  297.769  132.197  330.674  146.127 -32.90591 197.0512 
1 1 1  -12   32    1 o  906.119   95.254   4.4603   0.7823   4.8478   0.8656   2.7332   1.8276  934.135  102.384  468.929  209.033 465.2060 232.7606 
1 1 1  -12   32    2 o  298.922  124.420   0.4081   0.5663   0.2727   0.6033   1.4124   1.6428  285.979  123.990  407.055  187.884 -121.0756 225.1086 
1 1 1  -12   32    3 o  404.772  133.558   1.0528   0.5775   1.0750   0.6204   0.9082   1.5812  404.642  138.480  383.219  179.378 21.42239 226.6121 
1 1 1  -12   32    4 o  252.184  109.852   0.1326   0.4781   0.1659   0.6028   0.0761   0.7848  274.795  121.399  289.076  132.108 -14.28116 179.4161 
1 1 1  -12   32    5 o  545.741  109.007   1.7023   0.5282   1.0190   0.6502   3.0288   0.9060  392.446  141.171  677.689  149.312 -285.2436 205.4836 
1 1 1  -12   32    6 o  288.843  115.226   0.4070   0.4613   0.4220   0.5737   0.3797   0.7761  300.951  125.240  313.150  138.073 -12.19833 186.4112 
1 1 1  -12   32    7 o  413.103  125.104   1.0724   0.5165   1.0544   0.6833   1.0963   0.7887  392.415  144.189  392.531  152.438 -0.1159058 209.8282 
1 1 1  -12   32    8 o  287.443  117.081   0.4003   0.4873   0.7308   0.6454  -0.0378   0.7433  342.734  136.431  270.757  125.465 71.97635 185.3503 
1 1 1  -12   32    9 o  248.926  112.163   0.0552   0.5419  -0.3749   0.6889   0.7529   0.8775  237.486  113.289  344.749  149.503 -107.2635 187.5781 
1 1 1  -12   32   10 o  265.340  115.603   0.2367   0.5297  -0.2664   0.6660   1.1021   0.8736  239.220  113.332  375.439  155.252 -136.2190 192.2166 
1 1 1  -12   32   11 o  211.663  100.402  -0.2956   0.5260   0.3313   0.6964  -1.1281   0.8025  288.955  128.902  214.162  106.308 74.79240 167.0838 
1 1 1  -12   32   12 o  379.729  172.036   1.5032   1.2951   1.7751   1.7355   1.1617   1.9455  378.636  180.398  354.821  174.089 23.81458 250.6998 
1 1 1  -12   34    1 o  517.444  137.940   1.9889   0.6687   2.3409   0.8126   1.2502   1.1771  525.834  156.405  344.779  159.104 181.0551 223.1068 
1 1 1  -12   34    2 o  297.121  126.887   0.5608   0.6139   0.9640   0.7179  -0.5354   1.1838  343.638  141.280  265.745  131.416 77.89343 192.9513 
1 1 1  -12   34    3 o  365.578  133.635   1.0189   0.5859   1.2164   0.6957   0.5372   1.0865  381.525  144.421  308.149  145.616 73.37613 205.0887 
1 1 1  -12   34    4 o  340.178  132.795   0.8670   0.6010   0.6668   0.7077   1.3848   1.1381  311.626  134.697  361.362  162.712 -49.73538 211.2311 
1 1 1  -12   34    5 o  405.168  136.567   1.2594   0.6033   1.6050   0.7255   0.4849   1.0861  436.797  149.750  305.594  144.761 131.2030 208.2809 
1 1 1  -12   34    6 o  376.056  134.008   1.0819   0.5846   1.5756   0.6942  -0.1220   1.0841  438.469  146.500  275.590  134.068 162.8791 198.5860 
1 1 1  -12   34    7 o  190.146   92.311  -0.4776   0.5069  -0.8018   0.5949   0.3813   0.9684  188.903   93.369  293.839  138.432 -104.9355 166.9766 
1 1 1  -12   34    8 o  196.337   95.233  -0.4614   0.5364  -0.1370   0.6611  -1.0866   0.9176  236.536  112.306  222.611  111.017 13.92427 157.9158 
1 1 1  -12   34    9 o  369.169  179.235   2.5795   1.9121   2.5795   1.9121   0.0000   0.0000  369.169  179.235  ?   ?  0.000000 179.2352 
1 1 1  -11    1    1 o  1401.44   29.887   9.0486   0.3854   9.1205   0.5455   8.9769   0.5445  1406.04   42.167  1394.90   42.426 11.14282 59.81599 
1 1 1  -11    1    2 o  1943.47   28.994   17.400   0.5185   17.893   0.7450   16.937   0.7220  1969.55   41.110  1916.22   40.949 53.33411 58.02471 
1 1 1  -11    1    3 o  1000.39   32.257   4.6114   0.2969   4.5617   0.4229   4.6598   0.4170  994.191   46.225  1004.90   45.101 -10.71136 64.58237 
1 1 1  -11    1    4 o  2341.42   30.667   25.256   0.6607   25.597   0.9468   24.932   0.9224  2355.62   43.681  2324.86   43.119 30.75781 61.37846 
1 1 1  -11    1    5 o  389.223   55.213   0.7135   0.1922   1.0518   0.2833   0.4248   0.2616  472.168   67.086  300.131   88.623 172.0374 111.1513 
1 1 1  -11    1    6 o  2502.01   38.183   28.848   0.8791   29.702   1.5568   28.448   1.0651  2534.60   66.752  2483.63   46.606 50.96924 81.41242 
1 1 1  -11    1    7 f  1665.85   35.892   12.784   0.5502   12.805   0.7802   12.764   0.7759  1666.06   50.895  1663.44   50.690 2.618286 71.83170 
1 1 1  -11    1    8 o  1088.14   40.735   5.4570   0.4079   5.1147   0.5706   5.8146   0.5832  1050.79   59.258  1120.89   56.730 -70.10596 82.03535 
1 1 1  -11    1    9 o  611.709   63.029   1.7480   0.3497   2.4373   0.6572   1.4757   0.4130  716.286  102.641  558.088   82.950 158.1985 131.9696 
1 1 1  -11    1   10 o  2695.96   34.828   33.509   0.8640   32.441   1.3344   34.280   1.1337  2648.60   54.751  2724.86   45.216 -76.26294 71.00795 
1 1 1  -11    1   11 o  735.056   39.729   2.5028   0.2677   2.6397   0.3634   2.3403   0.3959  753.049   52.779  707.318   61.439 45.73041 80.99596 
1 1 1  -11    1   12 o  865.836   59.558   3.5068   0.4716   3.5824   0.5755   3.3523   0.8228  871.784   72.403  830.128  110.461 41.65594 132.0746 
1 1 1  -11    1   13 o  705.611   43.936   2.3186   0.2839   2.3600   0.3775   2.2647   0.4305  708.682   58.414  691.388   68.579 17.29370 90.08481 
1 1 1  -11    1   14 o  482.662   55.357   1.1028   0.2414   1.1171   0.3459   1.0891   0.3371  478.396   81.502  472.569   80.395 5.826721 114.4812 
1 1 1  -11    1   15 o  1033.65   37.750   4.9587   0.3590   4.3305   0.4852   5.7192   0.5338  959.749   55.171  1105.62   52.473 -145.8742 76.13969 
1 1 1  -11    1   16 o  754.722   45.934   2.6664   0.3175   2.5000   0.4389   2.8489   0.4598  723.860   66.645  773.661   65.191 -49.80096 93.22812 
1 1 1  -11    1   17 o  1106.48   40.684   5.6934   0.4142   6.0067   0.6059   5.4185   0.5676  1128.68   58.538  1072.20   57.743 56.47900 82.22515 
1 1 1  -11    1   18 o  479.078   68.989   1.1073   0.2954   1.1172   0.4126   1.0970   0.4230  471.094   98.359  465.554  101.594 5.540009 141.4062 
1 1 1  -11    1   19 o  599.254   58.861   1.7005   0.3204   1.3361   0.4444   2.0947   0.4623  517.808   96.832  659.253   77.700 -141.4446 124.1518 
1 1 1  -11    1   20 o  182.367   82.780  -0.1599   0.3016   0.1539   0.4422  -0.4328   0.4125  269.934  110.919  190.356   89.882 79.57741 142.7643 
1 1 1  -11    1   21 o  1223.51   61.965   7.0245   0.6953   7.0187   0.9984   7.0299   0.9690  1209.88   90.333  1212.39   87.443 -2.508179 125.7234 
1 1 1  -11    1   22 o  585.723   69.193   1.6342   0.3657   1.7435   0.5238   1.5303   0.5108  595.266   99.122  555.188  103.808 40.07855 143.5320 
1 1 1  -11    1   23 o  1107.88   71.875   5.8207   0.7288   5.2077   1.0376   6.4174   1.0237  1026.33  111.675  1149.33   97.728 -123.0068 148.3988 
1 1 1  -11    1   24 o  311.781  108.138   0.4483   0.3789   0.4865   0.5356   0.4100   0.5360  339.099  127.068  326.356  125.961 12.74356 178.9203 
1 1 1  -11    1   25 o  652.702   76.223   2.0722   0.4492   2.3378   0.6581   1.8406   0.6146  675.658  109.609  594.110  116.581 81.54712 160.0163 
1 1 1  -11    1   26 o  286.606  110.064   0.3349   0.4077   0.9900   0.5761  -0.3227   0.5772  423.953  132.807  239.280  110.766 184.6735 172.9358 
1 1 1  -11    3    1 o  2254.52   28.263   23.413   0.5863   22.993   0.8153   23.864   0.8438  2232.88   39.680  2274.69   40.314 -41.81006 56.56607 
1 1 1  -11    3    2 o  3187.87   28.360   46.811   0.8319   46.882   1.1819   46.742   1.1712  3188.35   40.284  3183.64   39.978 4.708496 56.75468 
1 1 1  -11    3    3 o  1183.83   31.517   6.4569   0.3433   6.3743   0.4860   6.5392   0.4850  1175.37   44.939  1190.53   44.275 -15.15674 63.08549 
1 1 1  -11    3    4 o  963.214   34.703   4.2754   0.3076   4.6033   0.4423   3.9684   0.4280  998.731   48.131  925.807   50.431 72.92371 69.71333 
1 1 1  -11    3    5 o  2097.45   32.515   20.266   0.6275   21.320   0.9150   19.329   0.8623  2149.95   46.253  2047.15   45.775 102.7963 65.07469 
1 1 1  -11    3    6 o  1965.74   34.259   17.801   0.6197   16.951   0.8563   18.734   0.8979  1917.05   48.542  2015.38   48.419 -98.32251 68.56159 
1 1 1  -11    3    7 o  1485.91   32.539   10.169   0.4449   10.775   0.7226   9.7997   0.5646  1528.27   51.385  1458.11   42.081 70.15906 66.41757 
1 1 1  -11    3    8 o  1747.69   33.093   14.070   0.5322   13.738   0.8278   14.303   0.6948  1725.47   52.135  1761.43   42.870 -35.95923 67.49751 
1 1 1  -11    3    9 o  1575.93   35.865   11.446   0.5201   11.354   0.6813   11.574   0.8051  1568.64   47.204  1582.86   55.274 -14.21655 72.68674 
1 1 1  -11    3   10 f  3263.12   34.689   49.100   1.0416   49.725   1.3659   48.232   1.6100  3281.24   45.240  3228.92   54.188 52.32568 70.59010 
1 1 1  -11    3   11 o  827.340   44.272   3.1748   0.3358   3.1262   0.4371   3.2447   0.5245  818.525   58.424  831.688   69.170 -13.16315 90.54162 
1 1 1  -11    3   12 o  529.881   69.081   1.3350   0.3288   0.7982   0.4140   2.2523   0.5412  401.215  109.208  685.039   87.880 -283.8250 140.1764 
1 1 1  -11    3   13 o  776.592   42.666   2.8059   0.3037   2.7780   0.3981   2.8448   0.4698  769.473   56.624  775.922   66.441 -6.448547 87.29663 
1 1 1  -11    3   14 o  580.250   54.524   1.5876   0.2877   1.5457   0.3844   1.6409   0.4338  566.233   75.677  580.893   83.556 -14.66071 112.7325 
1 1 1  -11    3   15 o  438.890   69.633   0.9334   0.2718   1.4185   0.3811   0.4313   0.3878  539.742   79.089  309.081  109.249 230.6610 134.8722 
1 1 1  -11    3   16 o  496.301   62.421   1.1792   0.2788   1.2017   0.3612   1.1461   0.4384  494.345   82.288  474.576  103.328 19.76917 132.0910 
1 1 1  -11    3   17 o  737.733   48.178   2.5523   0.3253   3.1179   0.4782   2.0655   0.4437  809.831   64.718  654.305   75.047 155.5259 99.09807 
1 1 1  -11    3   18 o  841.238   45.852   3.3080   0.3536   3.1428   0.4970   3.4774   0.5032  812.635   67.059  856.162   64.345 -43.52698 92.93613 
1 1 1  -11    3   19 o  982.178   44.442   4.4888   0.4017   4.4683   0.5655   4.5096   0.5705  972.314   63.560  976.703   63.834 -4.388733 90.08149 
1 1 1  -11    3   20 o  210.045   88.033   0.0495   0.2864  -0.0016   0.4150   0.0958   0.3956  239.975  103.441  249.406  103.914 -9.430817 146.6227 
1 1 1  -11    3   21 o  961.955   62.255   4.3498   0.5481   4.4789   0.8032   4.2374   0.7499  964.505   91.596  939.647   87.740 24.85809 126.8394 
1 1 1  -11    3   22 o  316.811   98.263   0.4842   0.3162   0.1820   0.4423   0.8004   0.4524  274.988  111.718  399.510  116.128 -124.5215 161.1411 
1 1 1  -11    3   23 o  1019.40   75.528   4.9500   0.7034   5.5950   1.0263   4.3784   0.9660  1067.19  105.910  938.163  114.264 129.0260 155.7988 
1 1 1  -11    3   24 o  820.110   64.951   3.1961   0.4861   4.4116   0.7291   2.2232   0.6523  954.790   83.836  662.618  110.902 292.1713 139.0239 
1 1 1  -11    3   25 o  724.738   71.665   2.5370   0.4717   2.4215   0.6730   2.6485   0.6612  686.723  110.233  723.835  102.108 -37.11237 150.2577 
1 1 1  -11    3   26 o  614.434   85.392   1.8878   0.4697   1.6423   0.6505   2.1554   0.6790  544.119  131.407  633.770  120.848 -89.65100 178.5277 
1 1 1  -11    5    1 o  1583.75   40.313   11.566   0.5875   11.540   0.7268   11.615   0.9979  1581.01   49.957  1583.82   68.476 -2.804565 84.76228 
1 1 1  -11    5    2 o  4618.60   27.920   98.245   1.1866   98.776   1.7006   97.742   1.6564  4628.52   39.929  4604.44   39.096 24.07715 55.88175 
1 1 1  -11    5    3 f  1051.93   36.335   5.0997   0.3517   5.2070   0.4490   4.9294   0.5657  1062.40   45.934  1031.00   59.884 31.39539 75.47220 
1 1 1  -11    5    4 o  1805.85   28.134   15.018   0.4675   15.803   0.7651   14.551   0.5905  1851.07   44.921  1776.98   36.116 74.09241 57.63888 
1 1 1  -11    5    5 o  629.947   36.983   1.8348   0.2134   1.8291   0.3383   1.8386   0.2751  626.526   59.399  629.549   47.842 -3.022217 76.26929 
1 1 1  -11    5    6 o  1422.47   28.434   9.3174   0.3722   9.6661   0.5328   8.9852   0.5201  1448.23   39.980  1396.27   40.482 51.96741 56.89670 
1 1 1  -11    5    7 o  2574.78   30.699   30.532   0.7273   30.456   1.1293   30.587   0.9508  2569.70   47.759  2576.15   40.109 -6.447998 62.36747 
1 1 1  -11    5    8 o  2250.19   32.154   23.325   0.6658   23.492   1.0441   23.210   0.8643  2256.18   50.291  2243.69   41.862 12.49292 65.43385 
1 1 1  -11    5    9 o  1842.22   31.751   15.639   0.5382   17.006   0.7947   14.481   0.7316  1919.45   44.995  1771.28   44.885 148.1737 63.55466 
1 1 1  -11    5   10 o  872.832   48.754   3.5348   0.3900   3.5281   0.5531   3.5414   0.5500  868.189   69.823  869.948   69.283 -1.758179 98.36374 
1 1 1  -11    5   11 o  885.646   43.818   3.6305   0.3571   3.3479   0.4570   4.0737   0.5722  846.418   59.046  932.064   67.171 -85.64612 89.43318 
1 1 1  -11    5   12 o  703.323   57.772   2.3212   0.3706   2.8372   0.5269   1.8159   0.5213  773.230   74.992  610.531   95.967 162.6992 121.7927 
1 1 1  -11    5   13 o  1180.50   39.798   6.4619   0.4323   5.6540   0.5844   7.4383   0.6425  1097.98   58.049  1261.97   55.326 -163.9940 80.19146 
1 1 1  -11    5   14 o  1253.51   38.017   7.2905   0.4385   7.6991   0.5879   6.7781   0.6583  1284.31   49.746  1201.33   59.556 82.98596 77.59872 
1 1 1  -11    5   15 o  1511.02   37.025   10.599   0.5148   10.030   0.6661   11.442   0.8111  1464.84   49.420  1560.81   56.479 -95.96765 75.04798 
1 1 1  -11    5   16 o  374.216   79.950   0.6952   0.2669   0.4126   0.3385   1.1601   0.4342  297.931  102.279  477.896  101.844 -179.9654 144.3371 
1 1 1  -11    5   17 o  589.509   60.142   1.6524   0.3217   1.2419   0.4087   2.3207   0.5215  499.001   92.410  690.164   83.832 -191.1635 124.7695 
1 1 1  -11    5   18 o  702.730   57.667   2.3337   0.3696   2.4036   0.4962   2.2466   0.5540  705.843   77.682  676.244   91.366 29.59875 119.9261 
1 1 1  -11    5   19 o  418.537   86.624   0.8681   0.3226   0.7316   0.4213   1.0617   0.5017  380.903  112.450  454.191  118.711 -73.28766 163.5155 
1 1 1  -11    5   20 o  363.738  106.078   0.6574   0.3769   0.8640   0.5502   0.4747   0.5174  414.921  129.765  338.093  125.245 76.82813 180.3475 
1 1 1  -11    5   21 o  532.370   84.503   1.3764   0.4001   1.2323   0.5661   1.5203   0.5656  491.001  124.978  549.129  115.596 -58.12784 170.2411 
1 1 1  -11    5   22 o  474.993   82.611   1.1002   0.3480   0.9845   0.5017   1.2074   0.4830  439.853  120.436  489.367  109.940 -49.51474 163.0694 
1 1 1  -11    5   23 o  166.592   82.507  -1.0472   0.4731  -0.8426   0.6609  -1.2622   0.6776  227.337  109.120  208.319  102.316 19.01715 149.5856 
1 1 1  -11    5   24 o  797.786   65.316   3.0307   0.4753   3.9958   0.7204   2.2869   0.6325  905.241   87.580  673.961  105.439 231.2806 137.0681 
1 1 1  -11    5   25 o  255.665  104.807   0.1661   0.3937   0.0059   0.5861   0.2978   0.5314  275.626  120.805  302.852  122.660 -27.22556 172.1609 
1 1 1  -11    5   26 o  483.204  103.164   1.2248   0.4447   0.9050   0.6093   1.5895   0.6507  405.647  137.239  532.435  133.162 -126.7886 191.2238 
1 1 1  -11    7    1 o  881.976   57.980   3.6089   0.4679   3.0656   0.6216   4.3191   0.7108  808.432   84.829  961.729   81.073 -153.2974 117.3409 
1 1 1  -11    7    2 o  151.240   58.276   0.0686   0.1146   0.0608   0.1881   0.0732   0.1445  179.943   72.944  165.617   64.980 14.32564 97.68983 
1 1 1  -11    7    3 o  1369.06   27.442   8.6310   0.3457   8.4233   0.5587   8.7599   0.4401  1351.51   44.922  1378.89   34.686 -27.38464 56.75481 
1 1 1  -11    7    4 o  3614.08   24.348   60.134   0.8097   60.202   1.1493   60.068   1.1409  3614.90   34.553  3610.89   34.339 4.006348 48.71377 
1 1 1  -11    7    5 f  1764.22   26.751   14.331   0.4343   13.810   0.6105   14.865   0.6179  1731.11   38.325  1796.11   37.385 -65.00317 53.53935 
1 1 1  -11    7    6 o  654.209   38.159   1.9790   0.2287   2.4986   0.3746   1.6703   0.2888  733.529   55.925  599.273   52.912 134.2557 76.98877 
1 1 1  -11    7    7 o  2644.76   28.763   32.215   0.7000   31.334   0.9874   33.106   0.9925  2606.91   41.161  2679.74   40.249 -72.83203 57.56962 
1 1 1  -11    7    8 o  532.619   46.070   1.3193   0.2236   1.5249   0.3252   1.1350   0.3078  570.511   63.001  489.904   70.302 80.60727 94.40092 
1 1 1  -11    7    9 f  1429.60   33.327   9.4250   0.4384   9.4930   0.6200   9.3571   0.6200  1433.07   47.018  1422.73   47.358 10.34033 66.73460 
1 1 1  -11    7   10 o  1439.23   48.507   9.5956   0.6424   9.4184   0.8072   9.9017   1.0610  1422.90   61.649  1451.54   79.738 -28.64319 100.7908 
1 1 1  -11    7   11 o  882.489   41.369   3.6062   0.3359   3.2158   0.4612   4.0474   0.4903  828.099   60.957  930.411   57.549 -102.3114 83.83092 
1 1 1  -11    7   12 o  1035.37   50.195   4.9897   0.4782   4.4776   0.6372   5.6503   0.7236  972.529   71.707  1092.78   72.376 -120.2482 101.8830 
1 1 1  -11    7   13 f  446.857   69.769   0.9641   0.2775   1.6325   0.4041   0.3678   0.3817  581.442   77.463  295.849  107.909 285.5927 132.8338 
1 1 1  -11    7   14 o  229.393   87.526   0.1872   0.2568  -0.2386   0.3545   0.6573   0.3725  190.064   87.569  360.843  105.518 -170.7791 137.1221 
1 1 1  -11    7   15 o  1172.97   44.276   6.4152   0.4779   6.5312   0.6722   6.2967   0.6795  1174.34   62.434  1151.98   64.361 22.35400 89.66746 
1 1 1  -11    7   16 o  830.480   48.382   3.2344   0.3681   2.4603   0.4524   4.7521   0.6334  716.503   69.485  997.805   69.422 -281.3022 98.22235 
1 1 1  -11    7   17 o  300.803   93.400   0.4425   0.2856   1.0087   0.4131  -0.0762   0.3954  444.900  102.951  222.386   98.277 222.5135 142.3285 
1 1 1  -11    7   18 o  281.627   95.487   0.3660   0.2949   0.6390   0.3764  -0.0682   0.4747  356.666  106.532  245.391  108.103 111.2758 151.7739 
1 1 1  -11    7   19 o  186.385   82.417  -0.0714   0.2785   0.0126   0.3523  -0.2113   0.4546  223.605   95.824  224.424  101.778 -0.8191986 139.7889 
1 1 1  -11    7   20 o  671.953   70.303   2.1484   0.4283   2.7928   0.6114   1.5276   0.6001  760.055   89.105  547.250  122.253 212.8042 151.2791 
1 1 1  -11    7   21 o  965.727   55.714   4.3677   0.4930   4.0003   0.6255   4.9702   0.8010  917.609   74.729  1018.32   86.295 -100.7132 114.1546 
1 1 1  -11    7   22 o  223.429   96.965  -0.0260   0.3697  -0.0508   0.5042   0.0027   0.5437  256.742  112.296  272.748  117.981 -16.00549 162.8806 
1 1 1  -11    7   23 o  882.171   96.318   3.8144   0.7692   3.3894   0.8963   5.0017   1.4981  815.619  123.272  948.624  178.169 -133.0045 216.6567 
1 1 1  -11    7   24 o  526.479   96.519   1.3959   0.4504   0.9014   0.5861   2.1090   0.7038  415.042  134.414  633.763  125.118 -218.7212 183.6348 
1 1 1  -11    7   25 o  414.012  106.964   0.9016   0.4104   0.1996   0.5965   1.5327   0.5655  298.998  126.272  536.125  117.850 -237.1263 172.7231 
1 1 1  -11    7   26 o  884.453   89.624   3.9363   0.7193   4.2669   1.2304   3.7646   0.8866  843.721  164.392  839.777  117.996 3.943970 202.3556 
1 1 1  -11    9    1 o  2254.66   72.985   23.543   1.5142   0.0000   0.0000   23.543   1.5142  ?   ?   2254.66   72.985 0.000000 72.98499 
1 1 1  -11    9    2 o  1356.22   41.750   8.4804   0.5210   0.0000   0.0000   8.4804   0.5210  ?   ?   1356.22   41.750 0.000000 41.74976 
1 1 1  -11    9    3 o  924.853   27.790   3.9390   0.2365   3.8307   0.3554   4.0250   0.3168  911.489   42.379  934.568   36.839 -23.07806 56.15277 
1 1 1  -11    9    4 o  1828.76   27.040   15.401   0.4550   15.640   0.6965   15.223   0.6010  1841.82   41.094  1817.54   35.937 24.27856 54.59097 
1 1 1  -11    9    5 o  1275.81   30.056   7.4974   0.3528   7.4399   0.5388   7.5407   0.4669  1269.90   46.107  1278.93   39.674 -9.030273 60.82659 
1 1 1  -11    9    6 o  2108.38   27.792   20.475   0.5392   21.820   0.7902   19.303   0.7375  2175.28   39.480  2046.04   39.173 129.2378 55.61676 
1 1 1  -11    9    7 o  2622.60   28.648   31.691   0.6914   32.018   0.9834   31.372   0.9722  2634.13   40.571  2607.44   40.519 26.69067 57.33916 
1 1 1  -11    9    8 o  1420.52   32.507   9.3066   0.4249   9.7041   0.6117   8.9359   0.5907  1448.80   45.886  1390.22   46.172 58.56982 65.09541 
1 1 1  -11    9    9 o  608.315   56.738   1.7336   0.3139   1.4149   0.3683   2.5802   0.6003  544.976   75.471  734.642   90.728 -189.6660 118.0145 
1 1 1  -11    9   10 o  832.994   42.495   3.2226   0.3246   3.4860   0.4675   2.9772   0.4512  862.754   59.244  796.293   62.065 66.46039 85.80120 
1 1 1  -11    9   11 o  1290.38   37.340   7.7099   0.4434   7.0839   0.6105   8.4085   0.6449  1232.67   53.823  1343.51   52.169 -110.8456 74.95618 
1 1 1  -11    9   12 o  410.102   88.586   0.8353   0.3245   1.0490   0.4689   0.6389   0.4496  453.414  112.833  361.632  117.770 91.78229 163.0986 
1 1 1  -11    9   13 o  1368.97   39.044   8.7056   0.4918   8.7626   0.6923   8.6475   0.6989  1367.02   55.035  1357.57   55.947 9.441772 78.47883 
1 1 1  -11    9   14 o  581.523   60.302   1.6108   0.3180   1.6557   0.4439   1.5635   0.4557  579.997   85.768  560.901   91.444 19.09650 125.3720 
1 1 1  -11    9   15 o  545.982   64.820   1.4303   0.3193   2.1090   0.4687   0.8427   0.4361  658.546   78.923  403.389  112.991 255.1571 137.8258 
1 1 1  -11    9   16 o  742.480   55.536   2.6040   0.3767   2.3498   0.5155   2.8952   0.5517  694.391   82.285  773.395   78.618 -79.00336 113.8056 
1 1 1  -11    9   17 o  1001.97   49.744   4.6947   0.4586   4.7767   0.6479   4.6124   0.6492  1000.16   70.863  981.966   72.364 18.19794 101.2822 
1 1 1  -11    9   18 o  480.939   74.864   1.1237   0.3205   1.2336   0.4383   0.9973   0.4699  495.392   99.611  440.101  114.827 55.29031 152.0117 
1 1 1  -11    9   19 o  1006.10   49.444   4.7181   0.4577   4.7290   0.6170   4.7047   0.6827  999.615   67.470  993.705   75.222 5.910156 101.0474 
1 1 1  -11    9   20 o  278.473  111.120   0.2222   0.4291   0.5054   0.6188  -0.0403   0.5957  357.324  135.974  280.079  122.295 77.24493 182.8795 
1 1 1  -11    9   21 o  611.900   70.401   1.7864   0.3892   1.5714   0.5052   2.1003   0.6104  562.859  101.262  650.934  105.515 -88.07501 146.2443 
1 1 1  -11    9   22 o  718.459   80.889   2.4878   0.5255   1.7492   0.6646   3.7189   0.8581  581.470  127.713  864.971  110.326 -283.5005 168.7671 
1 1 1  -11    9   23 o  789.044   79.876   3.0102   0.5720   3.1809   0.7102   2.6953   0.9648  801.683   98.336  703.187  153.423 98.49652 182.2321 
1 1 1  -11    9   24 o  438.046  106.584   0.9977   0.4255   0.6208   0.5490   1.5647   0.6734  358.890  129.642  534.680  136.421 -175.7899 188.1960 
1 1 1  -11    9   25 o  240.956  104.923   0.0152   0.4358   0.4881   0.5904  -0.5507   0.6459  335.703  131.464  236.395  111.882 99.30737 172.6277 
1 1 1  -11   11    1 o  729.655   30.958   2.4534   0.2079   2.6345   0.2999   2.2858   0.2884  754.297   43.384  702.276   44.860 52.02087 62.40718 
1 1 1  -11   11    2 o  903.011   27.763   3.7563   0.2307   4.0934   0.3967   3.5841   0.2836  941.646   45.783  881.747   34.949 59.89923 57.59768 
1 1 1  -11   11    3 o  2209.36   26.825   22.485   0.5453   23.061   0.9106   22.162   0.6810  2235.20   44.275  2192.71   33.750 42.49097 55.67209 
1 1 1  -11   11    4 o  2180.39   28.376   21.904   0.5693   22.361   0.9430   21.642   0.7141  2200.32   46.576  2166.40   35.825 33.91724 58.76014 
1 1 1  -11   11    5 o  680.125   35.909   2.1396   0.2239   2.1706   0.3491   2.1180   0.2919  682.448   56.089  675.345   47.270 7.103394 73.35159 
1 1 1  -11   11    6 o  233.351   79.599   0.2346   0.2050   0.5830   0.5427   0.1766   0.2214  368.187  129.326  220.588   81.882 147.5992 153.0681 
1 1 1  -11   11    7 o  760.450   51.507   2.6927   0.3583   2.7888   0.7071   2.6596   0.4156  760.622  103.740  754.041   60.404 6.581177 120.0443 
1 1 1  -11   11    8 o  158.856   69.685  -0.0448   0.1954  -0.1591   0.2682   0.0844   0.2853  170.803   77.734  217.658   89.220 -46.85497 118.3333 
1 1 1  -11   11    9 o  1273.29   43.702   7.5188   0.5120   7.0267   0.7097   8.0530   0.7394  1224.07   63.228  1312.75   61.213 -88.68066 88.00422 
1 1 1  -11   11   10 o  950.594   39.868   4.1899   0.3487   4.4611   0.4989   3.9308   0.4877  975.740   55.797  914.972   58.225 60.76837 80.64409 
1 1 1  -11   11   11 o  289.807   84.782   0.4109   0.2404   0.4821   0.3373   0.3373   0.3429  316.401  101.919  282.619  102.392 33.78250 144.4698 
1 1 1  -11   11   12 o  349.488   96.813   0.6154   0.3220   0.6269   0.4095   0.5967   0.5214  354.367  112.106  356.400  126.601 -2.032867 169.1027 
1 1 1  -11   11   13 o  908.614   46.198   3.8658   0.3850   3.0410   0.5176   4.8868   0.5759  795.753   71.454  1015.03   61.959 -219.2737 94.57567 
1 1 1  -11   11   14 o  394.457   84.425   0.7790   0.2972   0.8046   0.4111   0.7511   0.4301  394.383  109.433  381.547  113.853 12.83539 157.9179 
1 1 1  -11   11   15 o  515.106   68.489   1.2820   0.3166   1.5281   0.4464   1.0332   0.4490  554.001   90.716  446.373  110.020 107.6279 142.5964 
1 1 1  -11   11   16 o  1319.09   44.233   8.1153   0.5369   9.1325   0.7859   7.2251   0.7352  1390.60   61.417  1233.44   65.006 157.1642 89.43093 
1 1 1  -11   11   17 o  369.958   96.366   0.6924   0.3313   0.8533   0.4550   0.5107   0.4834  406.733  115.938  336.143  121.608 70.59061 168.0181 
1 1 1  -11   11   18 o  1623.75   45.341   12.278   0.6775   12.150   0.9519   12.408   0.9644  1605.52   64.431  1622.38   64.600 -16.85681 91.23900 
1 1 1  -11   11   19 o  299.373  102.704   0.4073   0.3413   0.6981   0.4930   0.1398   0.4729  377.760  123.339  274.623  113.949 103.1367 167.9186 
1 1 1  -11   11   20 o  1117.49   59.000   5.8614   0.6045   5.6164   0.7956   6.1960   0.9299  1084.75   80.275  1134.57   89.809 -49.82898 120.4563 
1 1 1  -11   11   21 o  1432.60   47.392   9.5565   0.6247   9.6295   0.8331   9.4626   0.9443  1431.41   63.251  1412.37   72.911 19.04590 96.52357 
1 1 1  -11   11   22 o  1133.00   72.688   6.1200   0.7538   6.3229   1.0872   5.9321   1.0461  1130.19  105.772  1094.95  105.116 35.24292 149.1213 
1 1 1  -11   11   23 o  239.658  102.797   0.0350   0.4061   0.0074   0.5389   0.0712   0.6177  267.781  116.641  291.558  125.932 -23.77707 171.6514 
1 1 1  -11   11   24 o  387.787  112.368   0.7954   0.4242   1.1033   0.5572   0.3709   0.6542  448.820  128.417  329.442  135.084 119.3785 186.3833 
1 1 1  -11   11   25 o  210.628   96.052  -0.1741   0.4121   0.6755   0.5487  -1.2739   0.6243  360.142  129.668  189.763   94.122 170.3792 160.2276 
1 1 1  -11   13    1 o  803.682   32.834   2.9811   0.2428   3.1250   0.3444   2.8389   0.3424  820.367   45.802  781.449   47.851 38.91846 66.23843 
1 1 1  -11   13    2 o  1202.91   32.038   6.6770   0.3546   6.3939   0.5016   6.9599   0.5014  1175.24   46.382  1226.46   44.432 -51.22205 64.22984 
1 1 1  -11   13    3 o  2186.35   31.808   22.058   0.6399   21.962   0.9168   22.149   0.8936  2178.16   45.741  2187.80   44.390 -9.635742 63.73930 
1 1 1  -11   13    4 o  1172.26   34.846   6.3464   0.3759   6.2830   0.5513   6.4014   0.5138  1163.81   51.480  1175.43   47.506 -11.62183 70.04988 
1 1 1  -11   13    5 o  588.614   45.173   1.6144   0.2428   1.5426   0.3777   1.6651   0.3170  569.243   73.852  595.303   58.623 -26.06018 94.29063 
1 1 1  -11   13    6 f  1422.72   35.950   9.3595   0.4706   9.4964   0.7104   9.2523   0.6283  1428.59   54.039  1411.69   48.369 16.90247 72.52404 
1 1 1  -11   13    7 o  1220.73   36.235   6.8953   0.4070   7.1298   0.6556   6.7482   0.5192  1235.94   57.644  1205.34   46.813 30.60217 74.25825 
1 1 1  -11   13    8 o  1517.73   36.211   10.666   0.5057   10.339   0.7977   10.886   0.6539  1486.77   58.306  1530.15   46.444 -43.38196 74.54272 
1 1 1  -11   13    9 o  333.896   95.278   0.5536   0.3071   0.3901   0.5435   0.6303   0.3723  326.010  126.560  355.628  105.881 -29.61725 165.0098 
1 1 1  -11   13   10 o  1002.61   40.734   4.6735   0.3758   4.7763   0.5468   4.5816   0.5173  1006.08   59.328  986.142   57.258 19.94098 82.45168 
1 1 1  -11   13   11 o  801.372   70.407   3.0783   0.5139   4.3552   0.9740   2.5857   0.6050  924.208  117.161  723.157   93.078 201.0505 149.6337 
1 1 1  -11   13   12 o  454.915   88.404   1.0373   0.3567   1.7342   0.8458   0.8865   0.3934  553.171  158.200  414.793  103.433 138.3788 189.0125 
1 1 1  -11   13   13 o  395.160   84.240   0.7833   0.2969   0.6967   0.4119   0.8772   0.4285  367.972  111.782  410.114  110.892 -42.14200 157.4556 
1 1 1  -11   13   14 f  445.384   77.999   0.9790   0.3080   1.2209   0.4557   0.7756   0.4179  487.215  104.767  386.798  111.379 100.4171 152.9098 
1 1 1  -11   13   15 o  293.854   96.633   0.4154   0.3024   0.1440   0.4374   0.6639   0.4186  263.510  109.486  361.366  113.207 -97.85623 157.4897 
1 1 1  -11   13   16 o  1159.76   46.841   6.2837   0.4999   6.6831   0.7153   5.9024   0.6989  1185.66   65.820  1112.51   68.604 73.15393 95.07223 
1 1 1  -11   13   17 o  278.039  100.885   0.3282   0.3330   0.0686   0.4506   0.6404   0.4943  257.108  109.230  362.993  123.612 -105.8848 164.9578 
1 1 1  -11   13   18 o  1563.86   46.942   11.390   0.6755   11.738   0.9783   11.073   0.9339  1577.42   67.399  1532.78   66.212 44.64734 94.48054 
1 1 1  -11   13   19 o  523.686   87.827   1.3437   0.4082   2.0004   0.6724   0.9604   0.5137  627.210  120.896  433.362  123.075 193.8476 172.5206 
1 1 1  -11   13   20 o  989.823   74.675   4.6677   0.6751   4.0250   0.9477   5.3301   0.9620  896.330  117.755  1043.49  101.476 -147.1577 155.4463 
1 1 1  -11   13   21 o  373.851  107.708   0.7064   0.3907   1.0572   0.5392   0.3188   0.5669  450.868  125.411  317.833  127.410 133.0342 178.7771 
1 1 1  -11   13   22 o  496.157  141.154   1.3357   0.6752   0.9567   0.7673   2.6360   1.4211  431.381  153.546  646.415  209.303 -215.0334 259.5850 
1 1 1  -11   13   23 o  513.701   95.748   1.3430   0.4359   1.7916   0.5734   0.7284   0.6711  586.914  110.221  384.051  142.565 202.8632 180.2045 
1 1 1  -11   13   24 o  288.618  112.721   0.3339   0.4332   0.3774   0.5763   0.2772   0.6567  315.965  127.820  314.101  132.567 1.863983 184.1521 
1 1 1  -11   15    1 o  986.545   36.477   4.5073   0.3311   4.5469   0.4248   4.4461   0.5286  988.800   46.691  972.886   59.330 15.91431 75.49915 
1 1 1  -11   15    2 o  926.052   37.975   3.9731   0.3236   3.9800   0.4262   3.9637   0.4973  923.105   50.363  918.627   59.142 4.477905 77.68021 
1 1 1  -11   15    3 o  823.447   41.113   3.1454   0.3115   3.1733   0.4247   3.1129   0.4583  822.269   56.476  812.818   61.736 9.450989 83.67117 
1 1 1  -11   15    4 o  334.852   64.940   0.5438   0.1929   1.0493   0.3095   0.2227   0.2466  465.738   74.737  237.025   86.695 228.7137 114.4625 
1 1 1  -11   15    5 o  522.925   51.376   1.2873   0.2440   2.0172   0.3867   0.8044   0.3145  651.832   65.359  402.953   87.349 248.8793 109.0946 
1 1 1  -11   15    6 o  134.179   61.977  -0.1390   0.1792   0.0054   0.2801  -0.2391   0.2333  199.565   85.479  145.001   68.198 54.56435 109.3508 
1 1 1  -11   15    7 o  762.281   45.642   2.7169   0.3187   3.2383   0.5129   2.3890   0.4067  824.681   68.195  709.427   62.958 115.2542 92.81355 
1 1 1  -11   15    8 o  500.816   78.173   1.2258   0.3485   1.4898   0.7630   1.1562   0.3917  521.756  150.564  481.035   91.849 40.72122 176.3684 
1 1 1  -11   15    9 o  226.770   85.134   0.1957   0.2406  -0.2720   0.3738   0.5266   0.3145  191.956   88.960  324.315   97.483 -132.3589 131.9724 
1 1 1  -11   15   10 f  836.252   49.420   3.2896   0.3786   4.8366   0.6537   2.5086   0.4644  1003.36   71.262  721.329   70.886 282.0346 100.5139 
1 1 1  -11   15   11 o  399.720   98.104   0.8215   0.3582   1.5434   0.5073   0.1040   0.5057  548.219  104.373  271.331  115.503 276.8885 155.6749 
1 1 1  -11   15   12 o  814.398   53.282   3.1353   0.3971   2.7259   0.6324   3.4018   0.5102  737.828   95.377  842.366   66.361 -104.5375 116.1921 
1 1 1  -11   15   13 f  229.775   91.856   0.1535   0.2938   0.5135   0.4734  -0.0720   0.3747  332.061  120.314  215.387   95.403 116.6738 153.5485 
1 1 1  -11   15   14 o  708.950   59.357   2.3911   0.3837   2.0585   0.5733   2.6608   0.5163  638.030  101.015  740.162   76.931 -102.1321 126.9740 
1 1 1  -11   15   15 f  188.344   83.695  -0.0785   0.2906   0.1116   0.4616  -0.2034   0.3741  264.090  111.282  199.518   91.191 64.57179 143.8727 
1 1 1  -11   15   16 o  417.755  106.309   0.8957   0.4097   1.6127   0.9963   0.7498   0.4494  533.362  175.391  382.949  116.865 150.4136 210.7588 
1 1 1  -11   15   17 o  1194.88   62.190   6.7379   0.6814   8.0617   1.6086   6.4484   0.7522  1244.40  143.085  1164.69   70.523 79.69995 159.5203 
1 1 1  -11   15   18 o  403.145  103.972   0.8214   0.3882   0.6901   0.6017   0.9151   0.5081  383.523  136.035  422.795  123.117 -39.27222 183.4754 
1 1 1  -11   15   19 o  563.078   85.212   1.5476   0.4277   0.9072   0.6101   2.1666   0.5998  422.857  137.158  660.895  101.904 -238.0379 170.8707 
1 1 1  -11   15   20 o  254.352  105.163   0.1281   0.4007  -0.2197   0.5652   0.4797   0.5683  251.678  113.868  342.695  130.334 -91.01784 173.0694 
1 1 1  -11   15   21 f  298.278  115.360   0.3353   0.4503   0.4616   0.6105   0.1846   0.6668  342.720  133.828  314.689  133.236 28.03162 188.8432 
1 1 1  -11   15   22 o  244.199  108.324  -0.0714   0.4848  -0.0355   0.6056  -0.1356   0.8087  275.059  121.589  303.495  136.862 -28.43542 183.0716 
1 1 1  -11   15   23 o  234.568  102.007   0.0174   0.4108   0.4054   0.5448  -0.4943   0.6255  316.466  125.538  235.301  110.977 81.16492 167.5578 
1 1 1  -11   15   24 o  263.551  110.641   0.1731   0.4535  -0.1611   0.5966   0.6306   0.6980  253.692  115.645  358.880  142.185 -105.1883 183.2766 
1 1 1  -11   17    1 o  862.466   38.866   3.4602   0.3084   2.7865   0.4018   4.4270   0.4813  767.061   57.340  969.138   54.190 -202.0766 78.89571 
1 1 1  -11   17    2 o  814.583   39.112   3.0864   0.2932   3.0288   0.3963   3.1560   0.4357  801.301   54.059  816.367   58.391 -15.06610 79.57332 
1 1 1  -11   17    3 f  1530.52   35.750   10.876   0.5035   10.807   0.7001   10.950   0.7245  1519.06   50.089  1528.25   51.523 -9.191895 71.85728 
1 1 1  -11   17    4 o  637.715   46.982   1.9108   0.2737   1.8541   0.3899   1.9659   0.3845  620.604   69.459  640.505   66.191 -19.90112 95.94703 
1 1 1  -11   17    5 o  510.748   56.815   1.2432   0.2625   1.6217   0.3994   0.9554   0.3482  576.532   77.233  435.744   89.839 140.7887 118.4738 
1 1 1  -11   17    6 o  295.463   85.687   0.4352   0.2466   0.4068   0.3698   0.4579   0.3308  298.844  106.576  306.658  101.077 -7.814697 146.8844 
1 1 1  -11   17    7 o  196.351   80.522   0.0795   0.2325   0.1836   0.3558   0.0019   0.3071  250.573  100.766  205.774   88.837 44.79852 134.3348 
1 1 1  -11   17    8 o  374.571   98.196   0.7234   0.3426   1.5493   0.7375   0.4961   0.3869  524.026  146.981  319.239  109.353 204.7870 183.1982 
1 1 1  -11   17    9 o  993.523   47.638   4.6320   0.4355   4.2591   0.6577   4.9232   0.5812  935.337   77.102  1015.43   62.505 -80.09064 99.25512 
1 1 1  -11   17   10 o  242.410   98.747   0.1556   0.3467  -0.0557   0.4553   0.4472   0.5349  238.216  105.358  325.569  125.784 -87.35353 164.0793 
1 1 1  -11   17   11 o  570.594   68.009   1.5777   0.3500   2.1300   0.5664   1.2364   0.4452  648.241   98.023  489.056  102.227 159.1843 141.6296 
1 1 1  -11   17   12 o  740.610   58.072   2.6104   0.3926   2.8867   0.6421   2.4455   0.4961  759.713   93.840  707.655   77.456 52.05780 121.6773 
1 1 1  -11   17   13 f  321.404   99.321   0.5196   0.3234   0.7423   0.5086   0.3684   0.4191  379.066  125.348  297.166  112.186 81.90063 168.2194 
1 1 1  -11   17   14 o  488.536   82.264   1.1821   0.3567   0.8829   0.5496   1.3997   0.4688  409.320  129.916  524.113  100.863 -114.7923 164.4736 
1 1 1  -11   17   15 o  549.720   79.570   1.4782   0.3908   1.7029   0.6249   1.3339   0.5008  569.908  122.787  508.748  110.166 61.15936 164.9643 
1 1 1  -11   17   16 o  564.357   81.610   1.5540   0.4115   1.7393   0.6962   1.4545   0.5101  573.222  134.334  535.181  107.328 38.04095 171.9448 
1 1 1  -11   17   17 o  714.508   73.929   2.4474   0.4790   1.6079   0.7349   3.0675   0.6316  548.599  143.827  794.520   87.868 -245.9211 168.5438 
1 1 1  -11   17   18 o  381.200  115.505   0.7338   0.4402   2.3512   0.9185   0.2516   0.5015  659.048  154.205  296.064  119.425 362.9836 195.0424 
1 1 1  -11   17   19 o  357.559  128.099   0.5936   0.5349   2.2190   1.3637   0.2981   0.5814  607.775  205.324  316.360  128.248 291.4155 242.0860 
1 1 1  -11   17   20 o  271.752  108.969   0.2235   0.4148   1.1209   0.6368  -0.4379   0.5468  456.575  139.065  225.570  105.552 231.0054 174.5860 
1 1 1  -11   17   21 o  213.801  101.936  -0.5998   0.5562   0.5184   1.3093  -0.8460   0.6144  416.178  181.527  211.965  102.600 204.2128 208.5160 
1 1 1  -11   17   22 o  215.113  103.455  -0.7055   0.6007   0.1407   1.4531  -0.8799   0.6597  390.384  178.906  217.967  105.700 172.4171 207.7979 
1 1 1  -11   17   23 o  291.938  119.359   0.3050   0.5089   0.5179   0.7625   0.1340   0.6833  349.163  144.771  297.365  130.383 51.79779 194.8286 
1 1 1  -11   19    1 o  789.812   45.707   2.9387   0.3308   2.4961   0.4293   3.5850   0.5188  718.740   65.640  862.139   65.895 -143.3989 93.00924 
1 1 1  -11   19    2 o  164.758   71.742  -0.0189   0.2037  -0.0772   0.2642   0.0665   0.3199  177.771   79.347  218.939   92.471 -41.16766 121.8469 
1 1 1  -11   19    3 o  810.652   45.783   3.0937   0.3401   3.3110   0.4740   2.8632   0.4883  830.753   62.464  768.303   69.833 62.44916 93.69353 
1 1 1  -11   19    4 o  437.435   64.250   0.9322   0.2509   0.8667   0.3487   1.0024   0.3613  409.620   94.450  442.402   91.761 -32.78207 131.6849 
1 1 1  -11   19    5 o  762.384   49.437   2.7480   0.3449   2.4761   0.4939   3.0069   0.4820  710.200   76.799  788.990   67.021 -78.78925 101.9305 
1 1 1  -11   19    6 o  632.805   55.824   1.9115   0.3217   1.7439   0.4610   2.0707   0.4492  589.003   87.744  648.811   76.721 -59.80823 116.5552 
1 1 1  -11   19    7 o  514.199   86.098   1.3317   0.3930   0.4932   0.9005   1.5290   0.4368  370.087  155.660  549.967   89.372 -179.8801 179.4922 
1 1 1  -11   19    8 o  811.924   55.307   3.1362   0.4107   3.6791   0.6156   2.7004   0.5515  866.060   78.082  738.378   82.580 127.6826 113.6496 
1 1 1  -11   19    9 f  241.213   92.428   0.2205   0.2871   0.1017   0.4147   0.3301   0.3980  248.715  105.174  284.279  108.846 -35.56403 151.3571 
1 1 1  -11   19   10 o  1177.67   64.705   6.6465   0.6985   6.7729   0.8137   6.2922   1.3618  1180.59   75.292  1069.60  141.868 110.9957 160.6092 
1 1 1  -11   19   11 o  433.337   85.901   0.9479   0.3304   1.1643   0.5044   0.7852   0.4373  466.403  117.567  385.610  114.746 80.79288 164.2826 
1 1 1  -11   19   12 o  666.562   64.075   2.1336   0.3882   2.8214   0.6470   1.7470   0.4852  749.258   96.060  589.333   92.512 159.9248 133.3637 
1 1 1  -11   19   13 o  399.568   95.512   0.8169   0.3464   0.7303   0.5626   0.8698   0.4396  379.595  131.773  407.228  113.219 -27.63315 173.7316 
1 1 1  -11   19   14 o  446.970   93.212   1.0087   0.3710   0.7442   0.5842   1.1875   0.4802  385.676  134.254  478.347  111.203 -92.67123 174.3282 
1 1 1  -11   19   15 o  356.521  107.299   0.6406   0.3808   0.9597   0.6304   0.4573   0.4778  429.413  139.431  325.507  120.403 103.9060 184.2228 
1 1 1  -11   19   16 o  362.656  107.718   0.6629   0.3856  -0.2894   0.6030   1.3220   0.5016  253.819  115.918  508.543  110.371 -254.7240 160.0581 
1 1 1  -11   19   17 o  683.670   82.883   2.2724   0.5108   1.7421   0.9280   2.5029   0.6117  557.969  167.409  711.806   95.834 -153.8375 192.8987 
1 1 1  -11   19   18 o  444.610  108.353   1.0177   0.4392   0.1417   0.6959   1.5979   0.5663  315.476  134.920  556.731  114.371 -241.2551 176.8733 
1 1 1  -11   19   19 o  440.970  133.863   1.0441   0.5908   1.6941   1.2479   0.8563   0.6707  532.938  194.996  408.188  143.747 124.7498 242.2533 
1 1 1  -11   19   20 o  1004.15   73.716   4.8892   0.6764   4.7700   0.9820   4.9967   0.9329  959.576  113.411  991.060  103.842 -31.48413 153.7705 
1 1 1  -11   19   21 o  429.162  140.041   1.0517   0.6356   1.5390   0.8750   0.5074   0.9248  498.549  164.392  368.874  156.587 129.6751 227.0335 
1 1 1  -11   19   22 o  261.084  113.157   0.0947   0.5022   1.1081   0.8425  -0.4637   0.6254  425.332  159.372  233.682  110.442 191.6493 193.8996 
1 1 1  -11   21    1 f  1098.95   44.752   5.6868   0.4525   6.0033   0.6022   5.2762   0.6859  1118.57   58.714  1037.52   72.295 81.05029 93.13409 
1 1 1  -11   21    2 f  462.160   69.054   1.0550   0.2847   1.2800   0.3786   0.7624   0.4318  501.756   85.036  374.692  114.584 127.0639 142.6903 
1 1 1  -11   21    3 o  657.153   53.342   2.0626   0.3198   1.9082   0.4260   2.2620   0.4839  620.290   76.247  673.880   79.580 -53.58936 110.2112 
1 1 1  -11   21    4 o  602.663   56.827   1.7442   0.3114   1.6652   0.4326   1.8292   0.4487  574.841   84.285  603.673   82.964 -28.83264 118.2667 
1 1 1  -11   21    5 o  236.754   87.974   0.2341   0.2557   0.0229   0.3557   0.4597   0.3677  220.660   95.440  305.411  106.498 -84.75072 143.0058 
1 1 1  -11   21    6 o  850.364   65.137   3.4943   0.5058   3.4980   1.0877   3.4933   0.5713  767.937  159.156  844.250   74.303 -76.31342 175.6466 
1 1 1  -11   21    7 o  809.012   55.247   3.1196   0.4088   2.9417   0.5906   3.2831   0.5664  767.706   85.035  817.586   76.169 -49.88037 114.1608 
1 1 1  -11   21    8 o  510.074   79.187   1.2964   0.3596   1.1377   0.5306   1.4313   0.4891  454.935  123.550  522.189  105.423 -67.25339 162.4152 
1 1 1  -11   21    9 o  537.142   97.626   1.4838   0.4647   1.9561   0.5515   0.3265   0.8632  616.524  100.691  349.152  149.822 267.3721 180.5136 
1 1 1  -11   21   10 o  332.042  100.163   0.5664   0.3315   0.6494   0.4903   0.4964   0.4501  356.579  123.054  323.471  117.294 33.10751 170.0005 
1 1 1  -11   21   11 o  233.620   95.994   0.1281   0.3312   0.2623   0.4935   0.0181   0.4468  290.088  117.953  245.465  106.560 44.62299 158.9587 
1 1 1  -11   21   12 o  870.086   62.376   3.6107   0.4961   3.9524   0.7434   3.3363   0.6661  892.794   91.796  821.055   89.622 71.73907 128.2912 
1 1 1  -11   21   13 o  301.254  103.863   0.4258   0.3492   0.0266   0.4964   0.8170   0.4914  260.533  112.712  396.360  122.418 -135.8268 166.4034 
1 1 1  -11   21   14 o  436.552   97.348   0.9661   0.3811   0.1979   0.5871   1.5255   0.5010  302.452  126.350  548.850  102.979 -246.3974 163.0002 
1 1 1  -11   21   15 o  872.443   63.478   3.6146   0.5061   3.1453   0.8018   3.9254   0.6525  787.026  114.035  901.606   79.466 -114.5793 138.9921 
1 1 1  -11   21   16 o  573.785   96.823   1.6489   0.4930   2.1729   0.9616   1.4620   0.5742  618.722  165.624  528.518  120.719 90.20404 204.9504 
1 1 1  -11   21   17 o  531.492   95.204   1.4216   0.4485   2.1553   0.7498   1.0128   0.5597  635.048  132.595  436.115  129.819 198.9329 185.5652 
1 1 1  -11   21   18 o  447.259  148.722   1.1041   0.7156   0.0000   0.0000   1.1041   0.7156  ?   ?   447.259  148.722 0.000000 148.7221 
1 1 1  -11   21   19 f  390.573  123.170   0.8218   0.4946   0.7033   0.7699   0.9052   0.6455  382.614  150.042  407.135  141.154 -24.52051 206.0028 
1 1 1  -11   21   20 o  563.851  108.460   1.7002   0.5423   2.6020   0.9293   1.2346   0.6678  654.527  156.435  457.009  142.958 197.5182 211.9171 
1 1 1  -11   21   21 o  423.451  145.588   1.0985   0.6860   0.5349   0.9381   1.7461   1.0056  359.592  155.257  498.453  175.959 -138.8616 234.6625 
1 1 1  -11   23    1 o  462.717   94.919   1.1229   0.3906   0.9784   0.4300   1.8045   0.9339  423.323  109.548  524.602  169.652 -101.2785 201.9473 
1 1 1  -11   23    2 o  416.235   84.599   0.8901   0.3130   0.5067   0.3998   1.4967   0.5029  316.120  111.010  528.479  107.087 -212.3587 154.2431 
1 1 1  -11   23    3 o  291.704   96.145   0.4295   0.2993   0.4755   0.3899   0.3635   0.4671  309.154  109.515  296.422  116.673 12.73172 160.0186 
1 1 1  -11   23    4 o  271.265   93.519   0.3553   0.2831   0.0471   0.3527   0.9134   0.4747  222.875   95.708  406.575  119.180 -183.6995 152.8526 
1 1 1  -11   23    5 o  644.376   83.687   2.0853   0.4845   2.3199   1.1162   2.0308   0.5378  587.284  185.010  627.717   96.172 -40.43237 208.5131 
1 1 1  -11   23    6 o  648.269   63.290   2.0340   0.3727   2.0566   0.5170   2.0095   0.5378  635.984   90.941  624.861   96.651 11.12378 132.7085 
1 1 1  -11   23    7 o  537.941   77.419   1.4379   0.3722   1.3128   0.5360   1.5545   0.5172  489.952  119.866  542.471  107.417 -52.51874 160.9545 
1 1 1  -11   23    8 o  212.319   95.613  -0.1217   0.3931  -0.2813   0.4277   0.7478   0.9981  204.623   94.943  403.081  166.251 -198.4581 191.4517 
1 1 1  -11   23    9 o  1019.95   57.600   4.9511   0.5384   3.8908   0.7386   6.1534   0.7864  880.856   92.502  1123.47   76.530 -242.6144 120.0564 
1 1 1  -11   23   10 o  904.372   60.187   3.8992   0.4980   3.3483   0.6955   4.4787   0.7134  817.438   94.189  955.727   81.911 -138.2896 124.8237 
1 1 1  -11   23   11 o  571.023   80.453   1.6047   0.4110   0.8265   0.5646   2.4823   0.5995  397.374  132.094  704.213   94.940 -306.8397 162.6731 
1 1 1  -11   23   12 o  811.589   67.993   3.1563   0.5031   3.1156   0.7423   3.1909   0.6842  785.268  105.392  801.608   94.579 -16.34058 141.6071 
1 1 1  -11   23   13 o  498.890   97.321   1.2593   0.4307   1.7452   0.6631   0.9046   0.5665  572.586  128.948  415.029  131.919 157.5569 184.4730 
1 1 1  -11   23   14 o  219.536   98.876  -0.1493   0.4206  -0.5351   0.7068   0.0621   0.5233  255.049  119.557  270.931  116.463 -15.88135 166.9053 
1 1 1  -11   23   15 o  1034.52   69.023   5.1283   0.6533   4.2060   1.0712   5.6746   0.8243  888.533  135.284  1078.53   83.719 -189.9998 159.0931 
1 1 1  -11   23   16 o  738.237   77.778   2.6611   0.5204   1.8857   0.7772   3.2912   0.7006  579.436  145.871  810.305   95.822 -230.8689 174.5282 
1 1 1  -11   23   17 o  235.020  104.037  -0.0521   0.4449  -0.3537   0.7407   0.1181   0.5565  270.711  125.374  280.369  120.300 -9.657898 173.7548 
1 1 1  -11   23   18 o  348.947  146.305   0.4531   0.7914   0.0000   0.0000   0.4531   0.7914  ?   ?   348.947  146.305 0.000000 146.3045 
1 1 1  -11   23   19 o  249.254  111.175  -0.0284   0.5178  -0.5352   0.7039   0.5693   0.7644  243.932  115.837  352.359  145.428 -108.4276 185.9237 
1 1 1  -11   23   20 o  246.941  112.243  -0.0958   0.5569   0.1423   0.7360  -0.4148   0.8519  298.109  132.787  272.326  128.766 25.78314 184.9680 
1 1 1  -11   25    1 o  385.942  100.249   0.7957   0.3592   0.7011   0.4647   0.9361   0.5662  359.467  119.860  405.203  132.174 -45.73639 178.4277 
1 1 1  -11   25    2 o  281.214  102.624   0.3689   0.3453   0.3333   0.4276   0.4356   0.5855  285.388  111.847  322.082  129.348 -36.69354 170.9986 
1 1 1  -11   25    3 o  272.924  112.893   0.2191   0.4621   0.8324   0.8644  -0.0263   0.5468  396.864  157.915  258.069  114.734 138.7951 195.1945 
1 1 1  -11   25    4 o  220.434   99.748  -0.1359   0.4339   0.2687   1.0510  -0.2190   0.4764  358.332  159.199  222.486  102.136 135.8457 189.1461 
1 1 1  -11   25    5 o  200.296   90.581  -0.1291   0.3572  -0.1260   0.3778  -0.1554   1.0976  206.711   93.347  335.126  154.285 -128.4152 180.3263 
1 1 1  -11   25    6 o  538.375   92.438   1.4807   0.4414   1.6664   0.4957   0.7687   0.9706  568.285   98.350  402.156  164.678 166.1292 191.8110 
1 1 1  -11   25    7 o  657.395   86.914   2.1630   0.5129   2.1904   0.5649   2.0345   1.2230  655.700   96.520  553.880  194.172 101.8205 216.8380 
1 1 1  -11   25    8 o  410.941   96.722   0.8731   0.3597   0.8316   0.4695   0.9320   0.5596  394.874  119.208  414.301  131.044 -19.42648 177.1526 
1 1 1  -11   25    9 o  496.920   89.396   1.2439   0.3937   2.3816   0.6129   0.4445   0.5138  685.067  100.190  323.044  123.669 362.0222 159.1608 
1 1 1  -11   25   10 o  298.763  104.573   0.4183   0.3547   0.8733   0.5157   0.0099   0.4886  405.647  125.420  255.131  111.097 150.5160 167.5491 
1 1 1  -11   25   11 o  257.797  102.515   0.2130   0.3641   0.1444   0.5392   0.2704   0.4936  283.459  119.906  292.805  118.348 -9.346008 168.4744 
1 1 1  -11   25   12 o  1015.98   70.088   4.9628   0.6512   4.1359   0.9932   5.5864   0.8625  887.009  125.159  1064.65   88.858 -177.6401 153.4939 
1 1 1  -11   25   13 o  655.941   94.231   2.1631   0.5524   1.6234   0.8534   2.5523   0.7248  527.690  161.037  698.594  116.878 -170.9047 198.9809 
1 1 1  -11   25   14 o  704.969   89.118   2.4825   0.5652   1.7585   0.8674   3.0167   0.7451  544.832  161.485  763.945  109.089 -219.1130 194.8785 
1 1 1  -11   25   15 o  1102.73   69.855   5.8907   0.7052   7.1571   1.0718   4.9242   0.9363  1186.77   99.054  976.841  105.864 209.9296 144.9794 
1 1 1  -11   25   16 o  647.978  101.259   2.1901   0.5840   3.2880   0.9140   1.4326   0.7592  764.499  134.859  486.376  152.474 278.1229 203.5569 
1 1 1  -11   25   17 o  514.309  157.397   1.6890   0.8145   1.8083   1.5584   1.6442   0.9554  484.680  204.366  493.279  171.691 -8.598480 266.9141 
1 1 1  -11   25   18 o  283.825  118.402   0.2834   0.5145   0.1935   0.7733   0.3549   0.6892  307.188  136.512  314.061  134.293 -6.872833 191.4944 
1 1 1  -11   25   19 f  214.453  102.878  -0.5396   0.5857  -0.1429   0.7510  -1.1555   0.9357  271.599  125.946  243.548  119.743 28.05080 173.7838 
1 1 1  -11   27    1 o  441.066  131.637   1.0997   0.5749   1.4250   1.0825   0.9720   0.6785  475.500  180.113  414.554  144.663 60.94574 231.0158 
1 1 1  -11   27    2 o  299.833  123.366   0.2939   0.5479  -0.3330   1.0786   0.5119   0.6361  322.106  149.899  341.892  135.650 -19.78650 202.1643 
1 1 1  -11   27    3 o  407.737  101.547   0.8768   0.3796   0.9660   0.4854   0.7364   0.6090  420.372  119.710  375.329  136.388 45.04254 181.4717 
1 1 1  -11   27    4 o  524.930   89.024   1.3979   0.4146   1.6171   0.5397   1.0823   0.6477  552.904  109.955  437.220  141.279 115.6834 179.0246 
1 1 1  -11   27    5 o  693.376   68.962   2.3350   0.4342   1.8803   0.5473   3.1068   0.7131  603.005  102.292  778.176  102.041 -175.1706 144.4852 
1 1 1  -11   27    6 o  890.593   76.254   3.8760   0.6189   4.3098   0.6985   2.2928   1.3346  935.214   81.998  579.852  202.858 355.3621 218.8036 
1 1 1  -11   27    7 o  1790.48   54.491   15.161   0.8978   14.252   1.1235   16.768   1.4933  1719.75   70.995  1843.05   88.054 -123.3046 113.1096 
1 1 1  -11   27    8 o  626.463   83.833   1.9500   0.4711   1.4212   0.6686   2.4715   0.6640  502.491  139.607  690.863  107.979 -188.3726 176.4921 
1 1 1  -11   27    9 o  600.586   95.716   1.8334   0.5112   2.1265   0.7826   1.6153   0.6752  615.983  141.103  538.151  136.220 77.83197 196.1271 
1 1 1  -11   27   10 o  188.702   91.148  -0.6539   0.4785  -0.5549   0.5313  -1.0787   1.1012  209.710   99.887  289.563  139.464 -79.85257 171.5443 
1 1 1  -11   27   11 o  210.564   99.224  -0.4296   0.4981  -0.7963   0.5419   1.5659   1.2642  195.867   95.171  498.456  193.152 -302.5885 215.3255 
1 1 1  -11   27   12 o  724.675   89.126   2.6442   0.5818   1.6753   0.8401   3.5371   0.8065  525.790  159.624  822.743  109.230 -296.9530 193.4198 
1 1 1  -11   27   13 o  365.012  121.325   0.7176   0.4763  -0.0289   0.6621   1.5179   0.6856  280.217  125.298  509.478  141.296 -229.2612 188.8495 
1 1 1  -11   27   14 o  426.044  123.185   1.0287   0.5103   1.9425   0.7490   0.2371   0.6971  571.427  142.831  309.772  133.791 261.6558 195.7053 
1 1 1  -11   27   15 o  463.283  122.635   1.2378   0.5310   1.0049   0.7554   1.4654   0.7465  405.699  151.126  479.426  151.331 -73.72693 213.8692 
1 1 1  -11   27   16 o  928.495  117.110   4.8616   0.9783   2.9761   1.6244   5.9348   1.2255  544.084  216.480  993.588  137.746 -449.5037 256.5880 
1 1 1  -11   27   17 o  301.671  123.166   0.4290   0.5409   0.2479   0.7521   0.6231   0.7785  301.927  134.379  341.873  144.314 -39.94653 197.1908 
1 1 1  -11   27   18 o  393.889  182.851   1.2327   1.5891   0.0000   0.0000   1.2327   1.5891  ?   ?   393.889  182.851 0.000000 182.8510 
1 1 1  -11   29    1 o  317.619  118.069   0.4866   0.4606   0.5721   0.5941   0.3578   0.7293  343.772  132.635  329.522  139.419 14.24982 192.4305 
1 1 1  -11   29    2 o  281.349  109.638   0.3224   0.4091   0.2228   0.5039   0.5148   0.7006  280.993  117.195  346.056  140.604 -65.06357 183.0410 
1 1 1  -11   29    3 o  405.870  118.194   0.9062   0.4683   0.9778   0.6058   0.8000   0.7381  414.783  136.778  387.935  148.299 26.84787 201.7446 
1 1 1  -11   29    4 o  525.447  121.663   1.5235   0.5766   1.2234   0.6367   2.8942   1.3606  459.630  138.833  631.481  204.832 -171.8505 247.4487 
1 1 1  -11   29    5 o  295.161  118.587   0.3255   0.4923   0.6466   0.5445  -1.1146   1.1530  354.394  128.936  290.412  140.567 63.98212 190.7443 
1 1 1  -11   29    6 f  598.375   85.690   1.8081   0.4583   1.1422   0.5681   3.0495   0.7757  449.228  130.008  755.341  115.254 -306.1131 173.7401 
1 1 1  -11   29    7 o  545.650  104.514   1.5724   0.5056   1.4330   0.6872   1.7370   0.7467  493.871  143.003  541.905  146.316 -48.03378 204.5928 
1 1 1  -11   29    8 o  388.369  115.257   0.8242   0.4417   1.3329   0.6503   0.3886   0.6017  477.778  139.328  318.435  129.945 159.3429 190.5203 
1 1 1  -11   29    9 o  616.142   94.381   1.9608   0.5180   2.3883   0.7760   1.6172   0.6958  647.060  134.712  523.659  141.184 123.4006 195.1416 
1 1 1  -11   29   10 o  715.811   90.933   2.6297   0.5854   3.8124   0.9329   1.8614   0.7519  826.702  126.670  556.051  145.336 270.6503 192.7899 
1 1 1  -11   29   11 o  264.292  110.628   0.1959   0.4513   1.1185   0.6596  -0.6164   0.6189  429.425  142.778  220.991  105.947 208.4341 177.7931 
1 1 1  -11   29   12 o  511.459  116.271   1.4791   0.5348   0.9014   0.7377   2.1192   0.7765  388.382  148.304  585.555  144.901 -197.1731 207.3416 
1 1 1  -11   29   13 o  218.802  100.308  -0.1523   0.4573   0.4288   0.6458  -0.7368   0.6477  315.795  132.273  216.138  104.794 99.65640 168.7543 
1 1 1  -11   29   14 o  574.183  114.012   1.9001   0.5811   1.8887   0.7962   1.9130   0.8501  522.142  154.706  515.430  161.313 6.712097 223.5081 
1 1 1  -11   29   15 o  194.269   94.547  -0.6597   0.5406  -0.3759   0.6930  -1.1010   0.8642  240.979  114.582  230.387  113.619 10.59198 161.3642 
1 1 1  -11   29   16 o  455.174  206.240   2.9005   1.8619   0.0000   0.0000   2.9005   1.8619  ?   ?   455.174  206.240 0.000000 206.2402 
1 1 1  -11   31    1 o  392.852  125.440   0.9106   0.5118   0.8125   0.6490   1.0720   0.8324  371.862  139.770  408.110  157.126 -36.24792 210.2958 
1 1 1  -11   31    2 f  518.787  139.506   1.6572   0.6804   2.0804   0.7605  -0.0407   1.5233  579.998  143.323  358.553  170.309 221.4455 222.5906 
1 1 1  -11   31    3 o  1015.37   92.257   5.3682   0.8526   6.2507   1.0201   3.3239   1.5527  1079.60  103.972  603.478  218.010 476.1229 241.5336 
1 1 1  -11   31    4 f  380.105  123.742   0.8372   0.4964   0.8508   0.6438   0.8172   0.7795  379.690  139.887  377.129  149.989 2.560272 205.0975 
1 1 1  -11   31    5 o  312.783  120.941   0.4822   0.4948   1.1219   0.6731  -0.2699   0.7299  423.124  144.240  263.531  122.863 159.5928 189.4745 
1 1 1  -11   31    6 o  537.672  104.150   1.5794   0.4967   1.3505   0.6212   1.9851   0.8269  469.073  136.002  549.074  156.216 -80.00113 207.1227 
1 1 1  -11   31    7 o  856.245   77.027   3.7069   0.6004   3.3777   0.7917   4.1526   0.9211  778.107  113.948  855.196  120.382 -77.08838 165.7587 
1 1 1  -11   31    8 o  290.871  116.004   0.3838   0.4674   0.5640   0.5853   0.0663   0.7767  328.814  130.225  293.314  133.025 35.49951 186.1568 
1 1 1  -11   31    9 o  361.670  125.251   0.7800   0.5081   0.3368   0.6677   1.3900   0.7833  304.207  131.166  446.912  155.467 -142.7053 203.4068 
1 1 1  -11   31   10 o  220.075  101.131  -0.1389   0.4687  -0.1210   0.6353  -0.1604   0.6942  253.003  116.798  259.088  120.467 -6.085266 167.7919 
1 1 1  -11   31   11 f  271.538  115.049   0.2750   0.4977   0.8649   0.7155  -0.2781   0.6928  362.850  143.897  247.430  116.726 115.4202 185.2873 
1 1 1  -11   31   12 o  599.624  118.813   2.1779   0.6324   2.3792   0.8330   1.9042   0.9715  574.823  154.268  469.698  172.024 105.1255 231.0649 
1 1 1  -11   31   13 o  400.494  135.487   1.1214   0.5938   1.5075   0.7859   0.6079   0.9064  435.248  155.350  327.310  146.461 107.9375 213.5053 
1 1 1  -11   33    1 o  643.853  110.786   2.4560   0.6327   2.4435   0.8051   2.4761   1.0230  586.347  148.936  526.784  177.838 59.56244 231.9658 
1 1 1  -11   33    2 o  248.208  110.482   0.1077   0.5086   0.5843   0.6273  -0.8062   0.8686  317.093  131.378  239.170  117.135 77.92250 176.0134 
1 1 1  -11   33    3 o  612.435  108.426   2.1925   0.5887   2.1131   0.7373   2.3320   0.9776  553.435  143.565  522.976  173.820 30.45819 225.4421 
1 1 1  -11   33    4 o  725.744   95.773   2.9319   0.6240   2.7545   0.8091   3.1923   0.9802  641.896  140.846  653.352  163.445 -11.45538 215.7592 
1 1 1  -11   33    5 o  578.557  109.179   1.9703   0.5599   2.7308   0.7277   0.8664   0.8767  663.315  123.770  352.578  151.131 310.7374 195.3452 
1 1 1  -11   33    6 o  500.756  112.752   1.5186   0.5070   1.1051   0.6184   2.3665   0.8856  394.634  138.088  547.643  163.367 -153.0093 213.9086 
1 1 1  -11   33    7 o  220.800  101.780  -0.0895   0.4797  -0.3397   0.6113   0.3115   0.7739  224.067  106.841  293.548  132.992 -69.48119 170.5926 
1 1 1  -11   33    8 o  256.370  113.310   0.1921   0.5257   0.3050   0.6892   0.0349   0.8130  284.186  127.401  273.707  128.279 10.47995 180.7941 
1 1 1  -11   33    9 o  257.520  114.323   0.2021   0.5410   0.2726   0.6554   0.0513   0.9584  275.981  123.941  283.823  134.894 -7.842102 183.1877 
1 1 1  -11   33   10 o  274.590  117.429   0.3729   0.5271   0.3462   0.6817   0.4128   0.8312  282.548  126.682  296.700  135.730 -14.15225 185.6633 
1 1 1  -11   33   11 f  320.417  157.943   0.5017   1.6632   0.5017   1.6632   0.0000   0.0000  320.417  157.943  ?   ?  0.000000 157.9431 
1 1 1  -11   35    1 o  252.727  118.647   0.1608   0.7006   0.7636   0.8479  -1.1360   1.2436  301.992  137.740  240.578  121.246 61.41481 183.5019 
1 1 1  -11   35    2 o  226.818  107.813  -0.1032   0.6126  -0.7124   0.7220   1.4620   1.1573  207.582  102.650  340.452  157.337 -132.8702 187.8612 
1 1 1  -11   35    3 o  265.558  119.791   0.3521   0.6201   0.3868   0.6984   0.2228   1.3481  272.415  124.544  285.653  141.068 -13.23785 188.1791 
1 1 1  -11   35    4 o  383.655  147.714   1.4020   0.7357   1.4020   0.7357   0.0000   0.0000  383.655  147.714  ?   ?  0.000000 147.7139 
1 1 1  -11   35    5 o  239.245  118.432  -0.5931   0.9705  -1.8724   1.5887   0.1686   1.2258  248.631  126.550  281.257  138.034 -32.62616 187.2655 
1 1 1  -11   35    6 o  285.701  135.760   0.4415   0.9699   1.0237   1.8459   0.2195   1.1399  311.764  155.785  280.229  136.580 31.53534 207.1783 
1 1 1  -11   35    7 f  327.737  163.184   1.7973   1.9500   1.7973   1.9500   0.0000   0.0000  327.737  163.184  ?   ?  0.000000 163.1842 
1 1 1  -10    0    1 o  615.362   50.975   1.7814   0.2841   1.7814   0.2841   1.7814   0.2841  615.362   50.975  615.362   50.975 0.000000 0.000000 
1 1 1  -10    0    2 o  1473.20   41.217   10.023   0.5577   10.023   0.5577   10.023   0.5577  1473.20   41.217  1473.20   41.217 -0.000000 0.000000 
1 1 1  -10    0    3 o  4823.15   39.983  107.191   1.7742  107.191   1.7742  107.191   1.7742  4823.15   39.983  4823.15   39.983 0.000000 0.000000 
1 1 1  -10    0    4 o  2384.66   42.452   26.227   0.9308   26.227   0.9308   26.227   0.9308  2384.66   42.452  2384.66   42.452 0.000000 0.000000 
1 1 1  -10    0    5 o  2477.09   44.536   28.302   1.0144   28.302   1.0144   28.302   1.0144  2477.09   44.536  2477.09   44.536 0.000000 0.000000 
1 1 1  -10    0    6 o  3286.52   45.845   49.797   1.3858   49.797   1.3858   49.797   1.3858  3286.52   45.845  3286.52   45.845 -0.000000 0.000000 
1 1 1  -10    0    7 o  1661.02   50.763   12.750   0.7742   12.750   0.7742   12.750   0.7742  1661.02   50.763  1661.02   50.763 0.000000 0.000000 
1 1 1  -10    0    8 o  810.134   64.783   3.0846   0.4758   3.0846   0.4758   3.0846   0.4758  810.134   64.783  810.134   64.783 0.000000 0.000000 
1 1 1  -10    0    9 o  4889.45   50.525  110.216   2.2726  110.216   2.2726  110.216   2.2726  4889.45   50.525  4889.45   50.525 0.000000 0.000000 
1 1 1  -10    0   10 o  618.689   62.960   1.8213   0.3499   1.8213   0.3499   1.8213   0.3499  618.689   62.960  618.689   62.960 -0.000000 0.000000 
1 1 1  -10    0   11 o  1325.34   43.377   8.1286   0.5277   8.1286   0.5277   8.1286   0.5277  1325.34   43.377  1325.34   43.377 0.000000 0.000000 
1 1 1  -10    0   12 o  680.878   81.414   2.2500   0.4908   2.2500   0.4908   2.2500   0.4908  680.878   81.414  680.878   81.414 0.000000 0.000000 
1 1 1  -10    0   13 o  378.308   98.477   0.7913   0.2962   0.7913   0.2962   0.7913   0.2962  378.308   98.477  378.308   98.477 0.000000 0.000000 
1 1 1  -10    0   14 o  213.439  112.965   0.3183   0.2975   0.3183   0.2975   0.3183   0.2975  213.439  112.965  213.439  112.965 0.000000 0.000000 
1 1 1  -10    0   15 o  215.138  116.003   0.3245   0.3189   0.3245   0.3189   0.3245   0.3189  215.138  116.003  215.138  116.003 0.000000 0.000000 
1 1 1  -10    0   16 o  274.014  129.275   0.5402   0.3681   0.5402   0.3681   0.5402   0.3681  274.014  129.275  274.014  129.275 0.000000 0.000000 
1 1 1  -10    0   17 o  161.935  103.579   0.0474   0.3460   0.0474   0.3460   0.0474   0.3460  161.935  103.579  161.935  103.579 0.000000 0.000000 
1 1 1  -10    0   18 o  469.243  110.802   1.2110   0.4155   1.2110   0.4155   1.2110   0.4155  469.243  110.802  469.243  110.802 0.000000 0.000000 
1 1 1  -10    0   19 o  445.567  126.525   1.1573   0.4494   1.1573   0.4494   1.1573   0.4494  445.567  126.525  445.567  126.525 -0.000000 0.000000 
1 1 1  -10    0   20 o  282.866  139.813   0.5829   0.4371   0.5829   0.4371   0.5829   0.4371  282.866  139.813  282.866  139.813 0.000000 0.000000 
1 1 1  -10    0   21 o  194.531  129.891  -0.1425   0.6368  -0.1425   0.6368  -0.1425   0.6368  194.531  129.891  194.531  129.891 0.000000 0.000000 
1 1 1  -10    0   22 o  618.488  102.780   1.9583   0.5364   1.9583   0.5364   1.9583   0.5364  618.488  102.780  618.488  102.780 0.000000 0.000000 
1 1 1  -10    0   23 o  1081.04  102.153   5.7507   0.9953   5.7507   0.9953   5.7507   0.9953  1081.04  102.153  1081.04  102.153 0.000000 0.000000 
1 1 1  -10    0   24 o  611.915  120.641   2.0153   0.6041   2.0153   0.6041   2.0153   0.6041  611.915  120.641  611.915  120.641 -0.000000 0.000000 
1 1 1  -10    0   25 o  1078.78   80.926   5.6743   0.7929   5.6743   0.7929   5.6743   0.7929  1078.78   80.926  1078.78   80.926 -0.000000 0.000000 
1 1 1  -10    0   26 o  146.129  102.826  -0.4841   0.5401  -0.4841   0.5401  -0.4841   0.5401  146.129  102.826  146.129  102.826 0.000000 0.000000 
1 1 1  -10    2    1 o  1428.64   28.723   9.4026   0.3776   9.6175   0.5385   9.1949   0.5296  1443.94   40.532  1411.83   40.762 32.10583 57.48413 
1 1 1  -10    2    2 o  2499.54   27.915   28.780   0.6420   28.236   0.8985   29.347   0.9178  2474.32   39.464  2522.51   39.540 -48.19482 55.86382 
1 1 1  -10    2    3 o  2012.75   29.260   18.663   0.5419   19.182   0.7793   18.177   0.7541  2039.17   41.530  1985.10   41.286 54.06934 58.56009 
1 1 1  -10    2    4 o  2935.12   29.989   39.689   0.8099   39.604   1.1470   39.773   1.1439  2930.03   42.543  2936.29   42.336 -6.261719 60.01891 
1 1 1  -10    2    5 o  1754.31   32.247   14.180   0.5205   13.923   0.7267   14.450   0.7460  1737.14   45.464  1769.64   45.812 -32.49866 64.54228 
1 1 1  -10    2    6 o  1018.87   37.091   4.7840   0.3477   4.8689   0.4995   4.7042   0.4844  1025.61   53.107  1008.15   52.399 17.45801 74.60609 
1 1 1  -10    2    7 o  2707.29   30.376   33.755   0.7567   33.057   1.1797   34.242   0.9864  2677.24   47.886  2725.87   39.327 -48.63232 61.96487 
1 1 1  -10    2    8 o  1754.13   32.875   14.172   0.5306   15.492   0.8727   13.399   0.6684  1832.44   51.760  1704.93   42.603 127.5061 67.03795 
1 1 1  -10    2    9 o  2686.21   37.246   33.251   0.9206   31.616   1.2671   35.080   1.3399  2617.25   52.614  2756.85   52.818 -139.6016 74.55138 
1 1 1  -10    2   10 f  650.631   53.778   1.9697   0.3191   2.2080   0.4624   1.7531   0.4408  685.847   74.474  609.038   80.642 76.80945 109.7702 
1 1 1  -10    2   11 o  1262.66   32.936   7.3536   0.3827   7.1380   0.4965   7.6690   0.6006  1242.86   43.415  1287.23   50.705 -44.37561 66.75239 
1 1 1  -10    2   12 o  557.470   72.027   1.4774   0.3608   1.6361   0.4346   1.1253   0.6473  584.170   83.208  473.872  139.243 110.2978 162.2100 
1 1 1  -10    2   13 f  538.136   53.004   1.3609   0.2591   1.2190   0.3369   1.5662   0.4053  503.642   74.972  570.842   79.299 -67.20081 109.1293 
1 1 1  -10    2   14 o  698.415   42.957   2.2745   0.2747   2.2186   0.3821   2.3345   0.3953  685.039   61.258  702.675   61.770 -17.63599 86.99432 
1 1 1  -10    2   15 o  279.365   87.359   0.3761   0.2494   0.6511   0.3374   0.0449   0.3703  359.407   98.904  233.007   99.003 126.3999 139.9412 
1 1 1  -10    2   16 o  458.956   62.294   1.0111   0.2563   0.6731   0.3472   1.4158   0.3799  364.194  100.375  538.519   79.014 -174.3253 127.7431 
1 1 1  -10    2   17 o  864.685   45.839   3.4981   0.3634   3.2704   0.5053   3.7420   0.5230  828.245   66.874  887.331   64.500 -59.08606 92.91057 
1 1 1  -10    2   18 o  1130.82   41.109   5.9479   0.4278   5.6126   0.5896   6.3206   0.6215  1090.75   58.965  1157.89   58.524 -67.13953 83.07733 
1 1 1  -10    2   19 o  604.656   57.984   1.7310   0.3187   2.6049   0.4953   1.1137   0.4163  736.989   74.034  470.375   99.291 266.6136 123.8534 
1 1 1  -10    2   20 o  235.979   92.324   0.1735   0.2910   0.0683   0.4003   0.2915   0.4237  245.891  103.620  288.858  111.855 -42.96709 152.4756 
1 1 1  -10    2   21 o  493.876  102.636   1.2168   0.4512   0.4374   0.5894   2.3201   0.7013  342.875  132.161  680.902  116.087 -338.0270 175.9052 
1 1 1  -10    2   22 o  1397.32   44.008   9.0674   0.5658   8.5523   0.7900   9.6103   0.8109  1350.23   63.581  1432.19   61.532 -81.95374 88.47991 
1 1 1  -10    2   23 o  723.422   90.812   2.5488   0.5912   3.1464   0.8550   2.0014   0.8183  788.924  121.692  613.892  146.843 175.0323 190.7135 
1 1 1  -10    2   24 o  364.251  109.330   0.6709   0.3957   0.6343   0.5785   0.7031   0.5425  368.487  133.081  378.025  129.498 -9.537964 185.6885 
1 1 1  -10    2   25 o  843.732   64.359   3.4036   0.4959   3.2389   0.6992   3.5704   0.7035  804.667   96.342  848.429   91.559 -43.76166 132.9089 
1 1 1  -10    2   26 o  267.530  108.294   0.2265   0.4139   0.9490   0.5852  -0.4969   0.5856  414.050  134.339  226.469  106.982 187.5809 171.7332 
1 1 1  -10    4    1 o  1556.27   33.439   11.163   0.4789   10.747   0.5531   12.407   0.9571  1526.50   39.374  1636.98   63.538 -110.4841 74.74857 
1 1 1  -10    4    2 o  1380.52   29.042   8.7799   0.3689   9.1677   0.5325   8.4220   0.5116  1409.77   41.052  1351.20   41.144 58.56152 58.12160 
1 1 1  -10    4    3 o  1325.79   30.612   8.0982   0.3735   7.9588   0.5304   8.2353   0.5259  1313.35   43.891  1336.07   42.776 -22.71985 61.28797 
1 1 1  -10    4    4 o  1582.52   31.305   11.538   0.4559   11.687   0.6512   11.396   0.6383  1591.54   44.468  1571.62   44.141 19.92224 62.65628 
1 1 1  -10    4    5 o  1579.50   29.156   11.491   0.4238   11.901   0.6903   11.243   0.5368  1606.10   46.707  1561.81   37.353 44.29504 59.80666 
1 1 1  -10    4    6 o  1545.35   27.758   10.997   0.3947   10.618   0.5494   11.401   0.5675  1517.85   39.336  1572.81   39.211 -54.96301 55.54134 
1 1 1  -10    4    7 f  1926.47   28.533   17.090   0.5058   16.793   0.7075   17.399   0.7234  1908.89   40.278  1943.01   40.461 -34.11609 57.09147 
1 1 1  -10    4    8 o  446.516   51.156   0.9318   0.2064   0.7722   0.3155   1.0513   0.2729  400.321   88.033  472.663   64.427 -72.34201 109.0898 
1 1 1  -10    4    9 f  1000.72   35.356   4.6148   0.3256   4.0180   0.4481   5.2821   0.4738  931.415   52.498  1069.90   48.129 -138.4857 71.22079 
1 1 1  -10    4   10 o  1775.52   40.291   14.547   0.6583   15.293   0.9522   13.864   0.9110  1817.81   56.925  1730.76   57.204 87.05420 80.70142 
1 1 1  -10    4   11 o  1653.22   37.368   12.621   0.5685   12.351   0.7302   13.037   0.9057  1633.35   48.583  1675.68   58.741 -42.32227 76.22802 
1 1 1  -10    4   12 o  752.159   54.908   2.6449   0.3774   2.4674   0.5199   2.8425   0.5487  719.955   79.822  773.826   78.129 -53.87091 111.6944 
1 1 1  -10    4   13 o  1852.81   33.435   15.875   0.5700   14.990   0.7382   17.184   0.8972  1796.77   44.647  1921.25   50.748 -124.4745 67.59256 
1 1 1  -10    4   14 o  369.403   73.610   0.6680   0.2414   0.6021   0.3165   0.7598   0.3733  347.245   95.893  387.990  102.895 -40.74469 140.6513 
1 1 1  -10    4   15 o  702.626   47.437   2.3144   0.3049   2.7617   0.4123   1.7745   0.4530  764.052   59.103  602.471   83.991 161.5811 102.7022 
1 1 1  -10    4   16 o  933.272   43.626   4.0598   0.3746   4.0655   0.4989   4.0524   0.5674  927.340   58.768  922.003   67.341 5.336182 89.37785 
1 1 1  -10    4   17 o  859.930   48.427   3.4668   0.3816   3.6878   0.5046   3.1713   0.5834  881.595   62.606  809.746   79.316 71.84906 101.0476 
1 1 1  -10    4   18 o  799.632   48.713   2.9977   0.3567   2.7641   0.4979   3.2440   0.5113  759.300   72.134  824.853   67.967 -65.55341 99.11008 
1 1 1  -10    4   19 o  568.676   64.265   1.5426   0.3304   1.9579   0.4885   1.1923   0.4485  633.420   86.032  485.616  103.543 147.8040 134.6201 
1 1 1  -10    4   20 o  378.407   96.335   0.7163   0.3363   0.6404   0.4617   0.8021   0.4908  363.482  119.394  399.349  122.179 -35.86725 170.8293 
1 1 1  -10    4   21 o  837.893   63.795   3.3107   0.4882   2.6576   0.6682   4.0585   0.7149  736.354  101.295  919.763   85.451 -183.4086 132.5237 
1 1 1  -10    4   22 o  1723.03   41.837   13.777   0.6633   14.096   0.9496   13.474   0.9270  1735.23   59.473  1696.57   59.377 38.65576 84.03997 
1 1 1  -10    4   23 o  548.351  112.885   1.5268   0.5506   3.3718   0.8505   0.1954   0.7224  819.576  116.015  330.011  139.148 489.5649 181.1674 
1 1 1  -10    4   24 o  1289.23   54.550   7.8017   0.6471   7.8246   0.8723   7.7737   0.9651  1278.31   74.478  1268.05   83.177 10.26355 111.6483 
1 1 1  -10    4   25 o  283.940  110.194   0.3069   0.4119   0.3478   0.5604   0.2587   0.6076  314.684  126.485  309.858  128.917 4.826141 180.6050 
1 1 1  -10    4   26 o  583.584   91.863   1.7339   0.4770   1.5626   0.6829   1.8972   0.6666  522.317  139.460  586.754  127.133 -64.43683 188.7109 
1 1 1  -10    6    1 o  398.595   82.181   0.7648   0.2914   0.8437   0.4147   0.6879   0.4096  416.932  107.419  379.518  110.549 37.41376 154.1429 
1 1 1  -10    6    2 o  822.122   38.880   3.1163   0.2941   3.3499   0.3449   2.4940   0.5631  850.966   44.202  727.572   85.750 123.3939 96.47238 
1 1 1  -10    6    3 o  1494.72   26.685   10.289   0.3670   10.550   0.6014   10.134   0.4633  1512.41   43.212  1482.96   33.954 29.44543 54.95568 
1 1 1  -10    6    4 o  1020.19   26.616   4.7928   0.2499   4.7241   0.3520   4.8625   0.3548  1012.41   37.780  1027.14   37.537 -14.73022 53.25702 
1 1 1  -10    6    5 o  973.406   28.794   4.3635   0.2579   4.1430   0.3626   4.5893   0.3669  948.000   41.568  997.834   39.961 -49.83453 57.66112 
1 1 1  -10    6    6 o  1854.70   27.547   15.840   0.4701   15.800   0.6641   15.879   0.6656  1851.62   38.978  1856.27   38.969 -4.655273 55.11646 
1 1 1  -10    6    7 o  816.591   36.773   3.0725   0.2763   3.3892   0.4359   2.8597   0.3573  855.038   55.706  785.775   49.666 69.26282 74.63174 
1 1 1  -10    6    8 o  3426.39   31.288   54.079   0.9865   52.096   1.4901   55.626   1.3161  3360.23   48.194  3473.51   41.178 -113.2834 63.38987 
1 1 1  -10    6    9 o  433.863   53.895   0.8833   0.2105   0.5937   0.2888   1.2117   0.3075  350.316   89.321  506.954   67.612 -156.6381 112.0252 
1 1 1  -10    6   10 o  746.299   51.014   2.5896   0.3482   2.5282   0.4954   2.6496   0.4896  733.005   74.481  751.154   71.703 -18.14960 103.3861 
1 1 1  -10    6   11 o  1971.91   36.483   17.967   0.6620   18.175   0.8681   17.676   1.0233  1980.35   47.638  1949.94   57.031 30.41870 74.30982 
1 1 1  -10    6   12 o  503.581   73.676   1.2162   0.3313   1.2584   0.4347   1.1577   0.5117  505.613   96.968  479.186  117.051 26.42737 151.9990 
1 1 1  -10    6   13 o  1439.34   37.869   9.6017   0.5015   9.6287   0.7068   9.5743   0.7118  1436.16   53.487  1431.88   54.022 4.276733 76.02130 
1 1 1  -10    6   14 f  902.432   45.755   3.8040   0.3787   3.5367   0.5148   4.1192   0.5590  863.343   65.289  931.924   65.608 -68.58154 92.55798 
1 1 1  -10    6   15 o  874.985   44.465   3.5786   0.3568   3.3769   0.4598   3.8839   0.5658  844.649   59.541  902.067   68.675 -57.41827 90.89267 
1 1 1  -10    6   16 o  457.279   70.544   1.0161   0.2873   1.4824   0.3820   0.4093   0.4358  551.493   77.414  309.780  114.909 241.7123 138.5533 
1 1 1  -10    6   17 o  534.933   64.086   1.3709   0.3092   1.0851   0.3898   1.8552   0.5075  464.456   94.436  611.479   93.144 -147.0230 132.6426 
1 1 1  -10    6   18 o  747.520   53.200   2.6307   0.3635   2.6935   0.4772   2.5437   0.5613  750.353   69.913  721.961   86.193 28.39166 110.9818 
1 1 1  -10    6   19 o  588.301   64.887   1.6501   0.3454   1.5042   0.4478   1.8645   0.5428  552.099   91.329  612.307   99.783 -60.20758 135.2693 
1 1 1  -10    6   20 o  836.815   61.820   3.3014   0.4727   3.4236   0.6583   3.1715   0.6790  842.933   86.085  807.988   93.026 34.94580 126.7451 
1 1 1  -10    6   21 o  1141.64   54.809   6.0838   0.5758   5.8429   0.8323   6.3049   0.7974  1106.13   82.358  1152.50   75.609 -46.36829 111.8018 
1 1 1  -10    6   22 o  805.776   58.298   3.0544   0.4293   2.3932   0.5815   3.8468   0.6365  700.750   92.439  897.431   77.855 -196.6817 120.8569 
1 1 1  -10    6   23 o  846.266   80.107   3.4467   0.6164   2.7234   0.7998   4.5043   0.9672  729.668  123.534  949.136  112.961 -219.4681 167.3943 
1 1 1  -10    6   24 o  755.953   67.695   2.7356   0.4659   3.0653   0.6819   2.4471   0.6380  785.638   96.348  697.621  102.444 88.01733 140.6339 
1 1 1  -10    6   25 o  261.802  107.793   0.1762   0.4187   0.5359   0.6004  -0.1643   0.5841  346.600  133.447  256.218  115.858 90.38196 176.7236 
1 1 1  -10    6   26 o  288.109  110.629   0.3513   0.4119   0.0006   0.5719   0.7293   0.5937  267.297  118.156  371.907  134.743 -104.6103 179.2112 
1 1 1  -10    8    1 o  2227.56   49.055   22.898   1.0055   23.520   1.4515   22.324   1.3942  2254.13   69.978  2196.26   68.988 57.87207 98.26681 
1 1 1  -10    8    2 o  489.601   31.776   1.1089   0.1424   1.1027   0.1814   1.1188   0.2298  487.367   40.827  489.604   51.789 -2.236847 65.94651 
1 1 1  -10    8    3 o  628.233   28.352   1.8176   0.1639   1.8060   0.2336   1.8288   0.2300  624.585   40.879  628.607   39.967 -4.021729 57.17035 
1 1 1  -10    8    4 o  3962.98   24.078   72.305   0.8780   72.396   1.2495   72.216   1.2341  3964.13   34.254  3959.26   33.875 4.876221 48.17523 
1 1 1  -10    8    5 o  2665.95   27.691   32.728   0.6793   33.254   1.0624   32.364   0.8835  2685.66   42.990  2650.27   36.227 35.39160 56.21925 
1 1 1  -10    8    6 o  1705.78   30.073   13.401   0.4720   13.694   0.7348   13.195   0.6159  1723.08   46.346  1691.99   39.559 31.09033 60.93329 
1 1 1  -10    8    7 o  1393.92   30.513   8.9503   0.3914   9.0301   0.5600   8.8740   0.5472  1399.26   43.493  1387.16   42.870 12.09937 61.06982 
1 1 1  -10    8    8 o  1520.67   31.176   10.656   0.4362   10.661   0.6193   10.651   0.6146  1519.78   44.285  1519.12   43.967 0.6658936 62.40423 
1 1 1  -10    8    9 o  672.477   44.103   2.0985   0.2714   2.2436   0.3894   1.9615   0.3784  692.690   61.739  646.821   64.443 45.86908 89.24500 
1 1 1  -10    8   10 o  525.119   59.322   1.2982   0.2816   1.3475   0.3699   1.2303   0.4344  530.877   78.044  501.817   97.592 29.06067 124.9604 
1 1 1  -10    8   11 o  1394.92   36.181   8.9989   0.4644   9.0336   0.6578   8.9645   0.6557  1393.97   51.285  1388.62   51.317 5.344971 72.55055 
1 1 1  -10    8   12 f  1329.85   46.343   8.2220   0.5671   8.2539   0.7879   8.1878   0.8169  1325.95   64.577  1317.77   67.593 8.176636 93.48223 
1 1 1  -10    8   13 f  249.704   86.098   0.2770   0.2400   0.2619   0.3421   0.2918   0.3367  265.918  101.126  271.246  100.931 -5.327850 142.8754 
1 1 1  -10    8   14 o  331.002   86.127   0.5483   0.2648   0.5325   0.3601   0.5670   0.3909  328.971  105.237  339.147  109.764 -10.17645 152.0624 
1 1 1  -10    8   15 o  658.194   57.819   2.0554   0.3466   1.9351   0.4950   2.1710   0.4855  626.157   88.377  667.382   80.701 -41.22430 119.6793 
1 1 1  -10    8   16 o  1258.10   40.946   7.3694   0.4740   7.1432   0.6201   7.6874   0.7353  1232.97   54.655  1274.89   62.678 -41.92017 83.16016 
1 1 1  -10    8   17 f  277.466   91.563   0.3640   0.2714   0.1189   0.3503   0.7323   0.4294  239.137   98.545  378.448  113.954 -139.3106 150.6537 
1 1 1  -10    8   18 o  1051.47   44.986   5.1532   0.4353   4.6943   0.5652   5.8218   0.6822  996.028   61.979  1106.93   67.298 -110.9035 91.49023 
1 1 1  -10    8   19 o  1294.77   44.586   7.8011   0.5312   7.6387   0.6941   8.0307   0.8253  1275.76   59.128  1301.70   69.146 -25.94531 90.98015 
1 1 1  -10    8   20 o  1300.88   60.026   7.9279   0.7185   9.1805   1.0644   6.8792   0.9739  1385.87   83.861  1196.07   89.132 189.8022 122.3807 
1 1 1  -10    8   21 o  684.637   65.186   2.2210   0.4057   2.4148   0.5423   1.9747   0.6113  707.261   85.038  628.896  109.629 78.36523 138.7437 
1 1 1  -10    8   22 o  447.194   94.089   0.9968   0.3749   1.0865   0.4767   0.8514   0.6069  461.452  113.145  412.975  136.944 48.47650 177.6390 
1 1 1  -10    8   23 o  384.892  135.719   0.7169   0.5981   0.5929   0.6931   1.0787   1.1836  374.169  143.547  474.104  186.001 -99.93527 234.9509 
1 1 1  -10    8   24 o  305.841  111.934   0.4153   0.4112   0.4505   0.5478   0.3698   0.6225  330.275  127.381  328.651  132.881 1.623901 184.0742 
1 1 1  -10    8   25 o  205.535   95.719  -0.3126   0.4411  -0.4815   0.5829  -0.0862   0.6747  227.322  107.187  280.294  125.825 -52.97224 165.2901 
1 1 1  -10    8   26 o  417.633  162.238   0.9897   0.8936   0.9274   1.4816   1.0253   1.1204  433.954  191.086  428.384  176.348 5.570496 260.0242 
1 1 1  -10   10    1 o  3311.88   71.261   50.790   2.1717   0.0000   0.0000   50.790   2.1717  ?   ?   3311.88   71.261 0.000000 71.26150 
1 1 1  -10   10    2 f  1686.78   31.856   13.107   0.4944   0.0000   0.0000   13.107   0.4944  ?   ?   1686.78   31.856 0.000000 31.85618 
1 1 1  -10   10    3 o  3042.79   28.107   42.639   0.7869   40.855   1.4247   43.422   0.9440  2974.92   52.045  3069.98   33.418 -95.06274 61.85043 
1 1 1  -10   10    4 o  2101.96   27.438   20.347   0.5307   19.180   0.8122   21.217   0.7010  2039.34   43.280  2145.71   35.507 -106.3696 55.98076 
1 1 1  -10   10    5 o  3156.75   27.809   45.896   0.8078   44.894   1.2188   46.681   1.0788  3119.93   42.453  3182.36   36.839 -62.42822 56.20825 
1 1 1  -10   10    6 o  470.513   42.916   1.0299   0.1838   1.0066   0.2641   1.0518   0.2558  461.991   63.833  473.049   60.133 -11.05823 87.69654 
1 1 1  -10   10    7 o  2100.84   29.120   20.340   0.5629   19.572   0.7804   21.173   0.8128  2059.07   41.188  2141.65   41.246 -82.58350 58.28897 
1 1 1  -10   10    8 o  1104.56   34.049   5.6298   0.3461   4.9263   0.4777   6.4066   0.5020  1031.44   50.337  1176.81   46.357 -145.3745 68.43087 
1 1 1  -10   10    9 f  645.047   63.406   1.9578   0.3715   2.6368   0.5177   1.2369   0.5334  746.148   76.479  497.634  118.233 248.5139 140.8127 
1 1 1  -10   10   10 o  267.153   82.174   0.3385   0.2217   0.3119   0.3089   0.3667   0.3184  272.945   97.390  287.833   99.176 -14.88794 138.9986 
1 1 1  -10   10   11 o  944.686   41.084   4.1403   0.3571   4.8396   0.5202   3.5169   0.4912  1016.32   55.837  863.929   62.204 152.3877 83.58844 
1 1 1  -10   10   12 o  389.912   92.030   0.7617   0.3249   1.6825   0.4622  -0.1377   0.4567  585.709   88.519  232.870  104.102 352.8388 136.6481 
1 1 1  -10   10   13 o  442.029   71.606   0.9511   0.2813   0.9688   0.3929   0.9325   0.4029  436.566   99.950  427.065  103.596 9.500305 143.9521 
1 1 1  -10   10   14 o  708.661   53.254   2.3709   0.3447   1.8091   0.4647   3.0582   0.5140  605.982   85.738  798.017   70.733 -192.0355 111.1490 
1 1 1  -10   10   15 o  1523.79   41.397   10.819   0.5804   11.378   0.8379   10.303   0.8048  1552.84   58.642  1477.37   59.203 75.47046 83.32995 
1 1 1  -10   10   16 o  513.743   72.425   1.2818   0.3329   1.0649   0.4464   1.5536   0.4996  454.010  108.357  553.746  101.803 -99.73590 148.6777 
1 1 1  -10   10   17 o  749.727   57.790   2.6602   0.3956   2.8710   0.5591   2.4488   0.5599  769.469   80.134  706.353   88.053 63.11670 119.0582 
1 1 1  -10   10   18 o  488.103   80.776   1.1674   0.3501   1.3178   0.4744   0.9874   0.5188  509.972  104.607  435.768  123.652 74.20465 161.9646 
1 1 1  -10   10   19 o  993.268   50.462   4.6141   0.4597   4.8030   0.6233   4.3889   0.6806  1007.01   67.664  957.959   77.891 49.04901 103.1763 
1 1 1  -10   10   20 o  797.014   76.896   3.0361   0.5569   2.5797   0.7696   3.5379   0.8070  714.554  121.398  847.570  105.772 -133.0163 161.0128 
1 1 1  -10   10   21 o  1092.47   51.101   5.5674   0.5137   5.4650   0.6824   5.7013   0.7804  1074.11   69.411  1093.05   78.105 -18.94116 104.4908 
1 1 1  -10   10   22 o  332.684  116.417   0.5111   0.4395   0.4333   0.5752   0.6202   0.6814  336.632  130.335  378.620  143.020 -41.98816 193.4989 
1 1 1  -10   10   23 o  259.730  104.715   0.1901   0.3854   0.1985   0.5113   0.1790   0.5862  287.482  118.822  299.202  125.708 -11.72028 172.9772 
1 1 1  -10   10   24 o  516.305   98.417   1.3656   0.4505   1.8896   0.6200   0.7797   0.6556  598.267  116.822  390.366  141.568 207.9005 183.5458 
1 1 1  -10   10   25 o  567.423   95.538   1.6590   0.4811   1.7303   0.6317   1.5607   0.7423  558.813  125.879  513.056  148.649 45.75739 194.7876 
1 1 1  -10   12    1 f  779.610   31.870   2.8014   0.2286   3.0776   0.3278   2.5400   0.3190  815.300   43.860  740.062   47.088 75.23773 64.35048 
1 1 1  -10   12    2 o  1234.63   31.157   7.0252   0.3540   7.2461   0.5111   6.8216   0.4906  1252.79   44.341  1215.58   43.864 37.20337 62.37111 
1 1 1  -10   12    3 o  418.332   45.231   0.8175   0.1713   1.2221   0.2732   0.5552   0.2200  510.368   59.276  339.395   72.633 170.9737 93.75066 
1 1 1  -10   12    4 o  1804.94   29.709   15.015   0.4934   15.280   0.7989   14.851   0.6274  1818.28   47.751  1794.10   38.003 24.18335 61.02777 
1 1 1  -10   12    5 o  1590.41   30.792   11.662   0.4506   11.421   0.7323   11.809   0.5717  1571.02   50.659  1599.40   38.844 -28.37817 63.83699 
1 1 1  -10   12    6 o  1249.98   38.506   7.2170   0.4429   7.0310   1.0043   7.2619   0.4935  1219.99   90.097  1253.29   42.791 -33.29858 99.74182 
1 1 1  -10   12    7 o  403.154   75.225   0.7847   0.2688   0.3260   0.5357   0.9391   0.3107  320.434  125.297  440.963   79.509 -120.5284 148.3945 
1 1 1  -10   12    8 o  575.294   52.409   1.5514   0.2744   1.5067   0.3934   1.5937   0.3829  560.519   78.419  578.079   73.661 -17.55981 107.5893 
1 1 1  -10   12    9 o  232.814   90.266   0.1735   0.2762  -0.0574   0.4786   0.2888   0.3382  250.218  109.426  272.637  101.211 -22.41960 149.0565 
1 1 1  -10   12   10 o  1441.45   35.228   9.6233   0.4672   9.9840   0.6686   9.2789   0.6532  1463.44   49.651  1410.56   50.329 52.87561 70.69794 
1 1 1  -10   12   11 f  510.354   72.426   1.2595   0.3306   1.1307   0.4411   1.4245   0.4993  471.786  104.374  530.210  106.047 -58.42413 148.7946 
1 1 1  -10   12   12 o  962.134   42.953   4.3143   0.3803   4.2523   0.5240   4.3833   0.5528  947.506   60.411  960.919   62.864 -13.41284 87.18608 
1 1 1  -10   12   13 o  252.167   91.174   0.2712   0.2716   0.5934   0.4006  -0.0030   0.3696  344.026  111.103  224.052   97.092 119.9738 147.5493 
1 1 1  -10   12   14 o  305.028   94.421   0.4616   0.2922   0.5504   0.4283   0.3843   0.3995  336.005  115.065  298.205  110.141 37.79980 159.2832 
1 1 1  -10   12   15 o  406.151   83.983   0.8252   0.3035   0.8516   0.4262   0.7980   0.4323  404.653  111.085  391.958  113.398 12.69547 158.7421 
1 1 1  -10   12   16 o  351.427   94.517   0.6260   0.3123   0.7397   0.4468   0.5175   0.4366  379.397  116.657  330.882  116.019 48.51523 164.5271 
1 1 1  -10   12   17 o  390.920   93.240   0.7720   0.3307   0.8812   0.4796   0.6730   0.4566  412.027  119.509  366.231  118.645 45.79590 168.4015 
1 1 1  -10   12   18 o  960.308   55.474   4.3352   0.4881   4.0691   0.6841   4.6112   0.6967  918.890   81.760  980.595   77.849 -61.70514 112.8944 
1 1 1  -10   12   19 o  317.688  106.037   0.4750   0.3637   0.1988   0.4952   0.7982   0.5357  287.866  117.727  399.692  128.416 -111.8267 174.2136 
1 1 1  -10   12   20 o  595.349   86.554   1.7269   0.4603   2.9526   0.6801   0.6907   0.6252  776.478   97.319  386.360  138.492 390.1185 169.2660 
1 1 1  -10   12   21 o  793.371   60.401   2.9735   0.4376   3.0576   0.5803   2.8626   0.6664  796.817   80.242  763.000   97.114 33.81714 125.9760 
1 1 1  -10   12   22 o  639.614  124.373   2.1307   0.7056   1.3052   0.8074   4.8015   1.4522  488.850  157.704  919.616  178.044 -430.7651 237.8452 
1 1 1  -10   12   23 o  349.069  114.549   0.6163   0.4251   0.4199   0.5812   0.8422   0.6232  329.089  129.948  401.759  138.732 -72.67017 190.0870 
1 1 1  -10   12   24 o  204.501   94.684  -0.2649   0.4220  -0.1441   0.5565  -0.4284   0.6474  250.138  113.099  245.160  114.762 4.977798 161.1264 
1 1 1  -10   12   25 o  331.322  144.648   0.2667   0.8331  -0.7766   1.2849   1.0232   1.0942  318.715  152.760  423.941  174.370 -105.2257 231.8203 
1 1 1  -10   14    1 o  1321.19   32.193   8.0586   0.3914   8.7108   0.5534   7.4058   0.5536  1371.61   43.844  1263.99   47.598 107.6256 64.71413 
1 1 1  -10   14    2 o  202.809   64.728   0.1880   0.1363   0.2641   0.2012   0.1236   0.1852  241.285   78.798  194.530   74.310 46.75475 108.3101 
1 1 1  -10   14    3 o  1002.56   35.996   4.6445   0.3321   4.7391   0.4817   4.5589   0.4584  1009.02   52.059  989.940   50.491 19.07697 72.52200 
1 1 1  -10   14    4 o  398.536   58.641   0.7549   0.2086   0.7924   0.3044   0.7217   0.2865  402.685   84.837  384.243   83.412 18.44269 118.9741 
1 1 1  -10   14    5 o  201.750   75.798   0.1441   0.1908   0.0065   0.2749   0.2720   0.2651  199.269   85.004  254.838   90.297 -55.56891 124.0126 
1 1 1  -10   14    6 o  270.176   83.148   0.3471   0.2269   0.6447   0.3329   0.0886   0.3102  360.774   97.820  225.247   92.766 135.5267 134.8118 
1 1 1  -10   14    7 o  966.785   39.697   4.3333   0.3531   4.1820   0.5465   4.4417   0.4627  942.221   63.403  974.893   51.768 -32.67200 81.85278 
1 1 1  -10   14    8 o  1120.69   40.213   5.8295   0.4147   6.3700   0.6806   5.5104   0.5230  1162.10   63.890  1086.28   52.322 75.81958 82.58013 
1 1 1  -10   14    9 o  1260.79   46.606   7.4118   0.5407   8.7301   1.2145   7.0860   0.6038  1334.04   99.660  1230.24   53.341 103.8003 113.0372 
1 1 1  -10   14   10 o  226.904   86.680   0.1838   0.2521   0.8845   0.4321  -0.1775   0.3103  413.658  111.152  181.922   83.111 231.7365 138.7882 
1 1 1  -10   14   11 o  338.446  113.132   0.5652   0.4140   1.1245   0.7709   0.3385   0.4907  455.133  154.369  304.374  119.653 150.7584 195.3117 
1 1 1  -10   14   12 o  568.398   76.341   1.5796   0.3892   1.7601   0.8142   1.5262   0.4431  556.821  153.813  552.288   90.309 4.532776 178.3652 
1 1 1  -10   14   13 o  698.343   57.041   2.3173   0.3633   2.7945   0.5618   1.9741   0.4764  755.117   82.176  632.569   83.918 122.5486 117.4528 
1 1 1  -10   14   14 o  696.680   57.626   2.3066   0.3661   2.3394   0.5605   2.2822   0.4835  685.957   91.044  683.997   78.230 1.959595 120.0370 
1 1 1  -10   14   15 o  907.083   50.144   3.8698   0.4169   4.1278   0.6156   3.6512   0.5666  925.980   72.843  871.411   71.287 54.56879 101.9211 
1 1 1  -10   14   16 o  421.673   84.379   0.8866   0.3160   1.4846   0.4886   0.4567   0.4143  540.970  101.891  316.002  112.786 224.9679 151.9952 
1 1 1  -10   14   17 o  359.740   96.309   0.6532   0.3251   0.5953   0.4545   0.7140   0.4653  350.376  118.532  376.193  119.556 -25.81705 168.3555 
1 1 1  -10   14   18 o  294.033  103.283   0.3854   0.3461   0.4249   0.5156   0.3529   0.4670  327.084  124.201  306.852  117.803 20.23218 171.1829 
1 1 1  -10   14   19 o  539.747   89.300   1.4315   0.4280   0.9922   0.6827   1.7159   0.5494  440.907  145.202  585.218  105.917 -144.3108 179.7270 
1 1 1  -10   14   20 o  252.231  109.021   0.0042   0.4636   0.9255   0.6998  -0.7165   0.6189  428.779  147.066  224.776  107.266 204.0025 182.0286 
1 1 1  -10   14   21 o  1123.23   52.910   5.9127   0.5469   5.7386   0.7391   6.1234   0.8129  1094.95   73.791  1128.17   78.797 -33.22742 107.9535 
1 1 1  -10   14   22 o  298.506  127.388   0.1413   0.6179   0.5903   0.7956  -0.5415   0.9810  378.586  151.227  304.648  142.170 73.93808 207.5617 
1 1 1  -10   14   23 o  408.728  108.988   0.8878   0.4174   0.5011   0.5545   1.3934   0.6341  334.340  128.362  498.341  134.956 -164.0013 186.2523 
1 1 1  -10   14   24 o  218.908   99.462  -0.1503   0.4368   0.1878   0.5866  -0.5709   0.6542  289.572  123.861  233.868  111.239 55.70393 166.4795 
1 1 1  -10   16    1 o  823.472   38.577   3.1455   0.2923   2.8009   0.3859   3.6092   0.4476  772.045   54.681  876.499   55.794 -104.4533 78.12180 
1 1 1  -10   16    2 o  438.172   49.589   0.9061   0.1964   0.9558   0.2570   0.8362   0.3046  446.514   64.405  411.851   83.246 34.66388 105.2513 
1 1 1  -10   16    3 o  1185.43   36.556   6.5126   0.3988   7.2820   0.5849   5.8444   0.5451  1249.25   50.882  1118.51   52.958 130.7341 73.44042 
1 1 1  -10   16    4 f  953.471   39.647   4.2196   0.3478   3.6232   0.4852   4.8500   0.4989  876.493   60.534  1017.24   53.489 -140.7486 80.77983 
1 1 1  -10   16    5 o  809.634   43.588   3.0584   0.3235   3.1025   0.4685   3.0182   0.4473  809.270   63.422  798.891   61.318 10.37860 88.21729 
1 1 1  -10   16    6 o  213.126   79.225   0.1731   0.2074   0.3253   0.3071   0.0456   0.2811  273.115   97.155  206.601   86.942 66.51344 130.3766 
1 1 1  -10   16    7 o  907.458   46.415   3.8541   0.3863   3.7431   0.5443   3.9668   0.5483  886.052   67.262  913.001   65.701 -26.94879 94.02545 
1 1 1  -10   16    8 o  594.224   72.073   1.7086   0.3860   2.6181   0.8357   1.4620   0.4352  700.818  134.490  541.459   90.553 159.3590 162.1338 
1 1 1  -10   16    9 f  411.891   80.671   0.8455   0.2948   0.6473   0.4308   1.0201   0.4043  356.759  115.204  445.360  100.993 -88.60071 153.2044 
1 1 1  -10   16   10 o  1243.50   42.623   7.2234   0.4877   7.0912   0.7725   7.3111   0.6289  1215.29   69.365  1244.83   54.903 -29.54443 88.46412 
1 1 1  -10   16   11 o  176.936   83.101  -0.3140   0.3443  -0.4889   0.4407  -0.0399   0.5516  191.027   90.982  262.771  116.104 -71.74355 147.5057 
1 1 1  -10   16   12 o  837.195   53.515   3.3168   0.4101   3.9188   0.6664   2.9498   0.5203  894.295   81.896  779.847   73.366 114.4476 109.9520 
1 1 1  -10   16   13 o  531.670   74.480   1.3833   0.3544   1.6504   0.5798   1.2241   0.4477  560.014  116.320  486.931  103.138 73.08356 155.4596 
1 1 1  -10   16   14 f  853.631   54.638   3.4464   0.4269   2.9767   0.6599   3.7845   0.5599  772.259   94.861  887.609   69.091 -115.3495 117.3553 
1 1 1  -10   16   15 o  229.996   94.374   0.1175   0.3196  -0.1869   0.5028   0.3238   0.4139  237.179  107.347  288.944  110.913 -51.76576 154.3539 
1 1 1  -10   16   16 o  785.652   72.521   2.9648   0.5184   3.3514   1.2179   2.8793   0.5728  764.231  176.713  769.630   82.157 -5.399414 194.8775 
1 1 1  -10   16   17 o  1436.58   58.227   9.6915   0.7697   8.9687   1.7334   9.8690   0.8590  1308.19  146.519  1446.33   64.547 -138.1412 160.1067 
1 1 1  -10   16   18 o  632.243   85.039   1.9464   0.4822   1.5526   0.9535   2.0817   0.5589  532.036  171.355  649.300   96.482 -117.2638 196.6500 
1 1 1  -10   16   19 o  774.870   91.185   2.9359   0.6377   3.6682   1.1754   2.6304   0.7592  820.889  161.360  718.534  118.986 102.3557 200.4859 
1 1 1  -10   16   20 o  371.512  107.465   0.7032   0.3883   0.7085   0.5714   0.6987   0.5292  380.288  132.749  375.638  127.906 4.649902 184.3428 
1 1 1  -10   16   21 o  261.661  110.462   0.1093   0.4562   0.5496   0.6264  -0.3877   0.6656  355.052  136.409  256.418  118.787 98.63385 180.8801 
1 1 1  -10   16   22 o  334.481  125.891   0.5175   0.5268   0.8338   0.6399  -0.1479   0.9282  395.767  140.294  317.657  144.584 78.11008 201.4624 
1 1 1  -10   16   23 o  399.225  116.355   0.8777   0.4536   0.3277   0.5761   1.7748   0.7359  306.086  126.285  547.546  144.094 -241.4593 191.6013 
1 1 1  -10   16   24 o  422.513  160.143   1.1103   0.8561   1.8555   1.1813   0.2858   1.2425  501.216  188.538  365.060  166.594 136.1557 251.5955 
1 1 1  -10   18    1 o  458.905   58.146   1.0099   0.2400   1.1482   0.3265   0.8471   0.3541  483.390   75.904  406.707   96.132 76.68268 122.4857 
1 1 1  -10   18    2 o  400.156   63.228   0.7768   0.2251   0.6989   0.2971   0.8817   0.3448  371.476   88.229  416.605   92.373 -45.12878 127.7383 
1 1 1  -10   18    3 o  563.356   49.731   1.4999   0.2551   1.6397   0.3462   1.3336   0.3775  583.744   65.584  519.441   81.680 64.30377 104.7514 
1 1 1  -10   18    4 o  362.216   70.551   0.6473   0.2267   0.5862   0.3235   0.7061   0.3178  339.196   98.085  371.922   93.073 -32.72617 135.2157 
1 1 1  -10   18    5 o  350.697   74.247   0.6119   0.2321   0.7500   0.3310   0.4783   0.3256  382.585   94.563  310.613  100.151 71.97272 137.7400 
1 1 1  -10   18    6 o  1131.85   43.409   5.9899   0.4521   5.9095   0.6499   6.0652   0.6293  1112.35   63.761  1128.81   60.813 -16.45996 88.11143 
1 1 1  -10   18    7 f  295.628  100.504   0.4216   0.3268   0.6781   0.7160   0.3541   0.3672  378.764  145.754  285.302  105.550 93.46246 179.9584 
1 1 1  -10   18    8 o  714.893   55.719   2.4320   0.3636   2.0241   0.4990   2.8939   0.5310  636.526   87.509  769.716   75.966 -133.1900 115.8820 
1 1 1  -10   18    9 o  248.793   94.542   0.2427   0.2989   0.4883   0.4410   0.0342   0.4064  320.977  116.154  237.104  102.282 83.87233 154.7692 
1 1 1  -10   18   10 o  658.740   82.100   2.1478   0.4868   2.3973   0.5682   1.4588   0.9442  690.692   91.669  493.732  170.745 196.9604 193.7971 
1 1 1  -10   18   11 o  378.090   89.942   0.7316   0.3084   0.5463   0.4685   0.8732   0.4096  335.441  119.925  407.121  107.674 -71.68036 161.1697 
1 1 1  -10   18   12 o  595.268   66.922   1.7135   0.3602   1.4137   0.5471   1.9428   0.4786  515.011  117.981  625.296   85.410 -110.2853 145.6513 
1 1 1  -10   18   13 o  600.784   68.282   1.7456   0.3708   1.1416   0.5950   2.1292   0.4741  457.034  133.270  658.656   79.855 -201.6226 155.3628 
1 1 1  -10   18   14 o  507.872   82.726   1.2777   0.3733   2.1502   0.6554   0.8588   0.4541  643.810  114.853  404.559  115.993 239.2507 163.2350 
1 1 1  -10   18   15 o  781.177   63.320   2.9055   0.4512   2.8063   0.6916   2.9790   0.5955  747.525  103.301  781.252   84.159 -33.72650 133.2435 
1 1 1  -10   18   16 o  400.637  103.396   0.8179   0.3837   0.5840   0.6356   0.9519   0.4814  366.412  138.202  428.642  118.212 -62.22986 181.8623 
1 1 1  -10   18   17 o  1545.98   56.214   11.213   0.7997   12.011   1.5529   10.925   0.9329  1556.01  109.149  1520.03   66.697 35.98706 127.9140 
1 1 1  -10   18   18 o  328.551  114.826   0.5026   0.4275   0.7506   0.8370   0.4151   0.4973  409.897  157.630  320.912  121.954 88.98483 199.2990 
1 1 1  -10   18   19 o  1096.42   83.229   5.8314   0.8334   5.0991   1.6116   6.0988   0.9737  925.916  195.300  1112.03   96.106 -186.1158 217.6660 
1 1 1  -10   18   20 o  848.868   73.416   3.4848   0.5678   3.2079   0.9152   3.6580   0.7240  773.570  133.396  857.460   93.261 -83.89056 162.7643 
1 1 1  -10   18   21 f  426.039  160.502   0.9955   0.8567  -0.5374   1.2232   2.4716   1.2003  332.097  156.187  611.465  191.730 -279.3684 247.2951 
1 1 1  -10   18   22 f  235.235  108.675  -0.2610   0.5515  -0.2361   1.2157  -0.2675   0.6188  338.365  158.024  249.035  115.074 89.32967 195.4830 
1 1 1  -10   18   23 o  451.927  143.527   1.2590   0.6707   0.4582   0.9022   2.2485   1.0028  349.179  151.507  569.671  174.699 -220.4921 231.2448 
1 1 1  -10   20    1 o  526.648   63.047   1.3467   0.2995   1.5327   0.3961   1.0985   0.4575  553.954   80.022  451.713  110.895 102.2411 136.7521 
1 1 1  -10   20    2 o  367.504   77.792   0.6824   0.2549   0.4221   0.3247   1.1001   0.4114  293.300  100.184  458.005  100.379 -164.7057 141.8194 
1 1 1  -10   20    3 o  243.886   85.440   0.2724   0.2368   0.6012   0.3170  -0.1427   0.3561  339.842   96.734  198.583   90.067 141.2600 132.1725 
1 1 1  -10   20    4 o  269.932   85.753   0.3607   0.2394   0.2632   0.3158   0.4926   0.3672  255.383   97.149  313.600  106.535 -58.21738 144.1795 
1 1 1  -10   20    5 o  200.432   82.980   0.0798   0.2500   0.5136   0.3622  -0.3147   0.3454  318.217  105.812  176.109   82.879 142.1081 134.4066 
1 1 1  -10   20    6 o  830.228   64.445   3.3253   0.4885   1.4982   0.9949   3.9055   0.5607  490.240  174.812  897.525   68.406 -407.2848 187.7192 
1 1 1  -10   20    7 o  607.276   63.907   1.7849   0.3518   1.6460   0.5236   1.8992   0.4749  560.360  105.414  614.708   86.334 -54.34796 136.2558 
1 1 1  -10   20    8 o  686.210   61.881   2.2665   0.3865   2.0899   0.5618   2.4253   0.5326  637.780   98.935  697.086   84.784 -59.30536 130.2937 
1 1 1  -10   20    9 o  850.282   73.179   3.5245   0.5670   3.1759   0.6464   4.6880   1.1809  795.728   89.849  913.573  145.340 -117.8444 170.8704 
1 1 1  -10   20   10 o  272.668   97.182   0.3403   0.3075   0.1435   0.4550   0.5056   0.4170  263.592  110.750  321.720  113.342 -58.12866 158.4678 
1 1 1  -10   20   11 o  210.950   90.849   0.0167   0.3196  -0.1785   0.4662   0.1896   0.4389  226.465  102.842  267.798  110.323 -41.33331 150.8236 
1 1 1  -10   20   12 o  159.676   76.532  -0.4156   0.3225  -0.3274   0.4447  -0.5136   0.4684  206.212   96.060  196.817   93.756 9.395615 134.2298 
1 1 1  -10   20   13 o  614.724   76.453   1.8446   0.4231   1.7426   0.6685   1.9128   0.5465  568.164  130.608  614.196  100.147 -46.03253 164.5841 
1 1 1  -10   20   14 o  209.016   89.923   0.0075   0.3124  -0.0959   0.5092   0.0700   0.3957  249.058  110.723  242.261  102.606 6.797028 150.9558 
1 1 1  -10   20   15 o  655.232   72.292   2.0672   0.4286   2.7623   0.7394   1.7153   0.5260  737.574  112.500  583.699  101.629 153.8757 151.6069 
1 1 1  -10   20   16 o  220.617   96.664  -0.0449   0.3750   0.1144   0.6013  -0.1463   0.4797  295.181  125.810  236.946  106.252 58.23529 164.6741 
1 1 1  -10   20   17 o  765.256   76.788   2.8299   0.5334   1.8718   0.9318   3.2970   0.6506  573.405  166.654  820.899   87.475 -247.4940 188.2169 
1 1 1  -10   20   18 o  328.161  128.087   0.4239   0.5591   1.1188   1.1779   0.2218   0.6351  467.950  184.927  311.959  130.946 155.9909 226.5936 
1 1 1  -10   20   19 o  605.199   90.293   1.8367   0.4874   1.7793   0.7968   1.8711   0.6162  557.005  151.463  595.467  116.632 -38.46179 191.1654 
1 1 1  -10   20   20 o  297.217  116.692   0.3541   0.4662   0.0380   0.6740   0.6440   0.6454  290.825  128.431  362.677  138.668 -71.85211 189.0060 
1 1 1  -10   20   21 o  737.560  106.756   2.8949   0.7035   2.7676   0.9784   3.0311   1.0121  664.007  161.653  697.332  160.992 -33.32471 228.1443 
1 1 1  -10   20   22 o  350.068  133.665   0.6656   0.5992   1.0880   1.0883   0.4818   0.7178  414.009  172.410  333.221  139.500 80.78842 221.7778 
1 1 1  -10   22    1 o  238.591   92.769   0.2155   0.2924   0.2108   0.3933   0.2213   0.4371  257.911  105.132  267.811  110.188 -9.899323 152.2963 
1 1 1  -10   22    2 o  191.904   82.473   0.0203   0.2623   0.1614   0.3393  -0.1893   0.4135  238.282   97.448  208.382   95.474 29.90012 136.4233 
1 1 1  -10   22    3 f  336.718   90.203   0.5912   0.2851   0.8599   0.3804   0.2470   0.4306  400.940  102.674  271.455  110.253 129.4853 150.6576 
1 1 1  -10   22    4 o  671.006   58.229   2.1662   0.3560   2.0572   0.4810   2.2983   0.5293  639.337   83.771  673.724   87.445 -34.38702 121.0962 
1 1 1  -10   22    5 o  237.063  100.003   0.1031   0.3734  -0.4516   0.7906   0.2624   0.4237  269.183  126.267  273.549  109.969 -4.365662 167.4411 
1 1 1  -10   22    6 o  991.276   51.170   4.6622   0.4652   5.5464   0.6919   3.9329   0.6284  1066.94   70.876  893.086   77.221 173.8568 104.8168 
1 1 1  -10   22    7 o  482.185   79.139   1.1649   0.3389   1.3666   0.5066   1.0014   0.4560  504.383  112.070  429.760  113.599 74.62305 159.5756 
1 1 1  -10   22    8 o  757.257   77.230   2.8253   0.5306   2.8405   0.6066   2.7757   1.0948  751.033   89.542  663.503  176.316 87.52960 197.7507 
1 1 1  -10   22    9 o  290.685   99.181   0.4110   0.3182   0.2897   0.4486   0.5339   0.4515  284.461  113.580  329.557  117.734 -45.09570 163.5900 
1 1 1  -10   22   10 o  963.745   58.036   4.4254   0.5123   4.5657   0.7356   4.2934   0.7138  961.274   84.004  931.886   84.152 29.38770 118.9044 
1 1 1  -10   22   11 o  527.500   80.170   1.3783   0.3769   1.5049   0.5593   1.2730   0.5101  531.956  117.408  489.482  115.171 42.47345 164.4661 
1 1 1  -10   22   12 o  294.922  103.496   0.4044   0.3475   0.4248   0.5236   0.3884   0.4646  322.175  124.454  307.652  117.643 14.52301 171.2566 
1 1 1  -10   22   13 o  774.808   70.119   2.8844   0.4945   2.5657   0.7057   3.1918   0.6932  707.938  112.057  801.226   95.925 -93.28802 147.5074 
1 1 1  -10   22   14 o  455.234  102.609   1.0608   0.4195   0.9700   0.6057   1.1446   0.5816  428.444  136.432  462.985  130.767 -34.54092 188.9801 
1 1 1  -10   22   15 o  1151.25   59.491   6.2715   0.6281   5.7922   0.9758   6.6105   0.8206  1080.03   99.305  1171.55   76.543 -91.51819 125.3807 
1 1 1  -10   22   16 o  255.269  105.760   0.1400   0.4065   0.6631   0.7357  -0.0898   0.4877  383.123  147.659  243.810  108.377 139.3136 183.1633 
1 1 1  -10   22   17 o  923.285   72.180   4.1185   0.6083   3.3812   1.0282   4.5156   0.7546  779.347  148.805  957.217   86.609 -177.8698 172.1750 
1 1 1  -10   22   18 o  490.340  151.680   1.4042   0.7541   0.0000   0.0000   1.4042   0.7541  ?   ?   490.340  151.680 0.000000 151.6804 
1 1 1  -10   22   19 f  328.024  125.142   0.5094   0.5249   1.4037   0.7834  -0.2193   0.7071  478.998  155.436  270.830  124.370 208.1687 199.0685 
1 1 1  -10   22   20 o  328.241  132.805   0.4898   0.6222   1.5571   0.8568  -0.7009   0.9050  484.746  162.757  267.153  128.087 217.5929 207.1141 
1 1 1  -10   22   21 o  530.458  127.092   1.6662   0.6122   1.6777   1.0957   1.6610   0.7382  468.461  180.299  506.126  148.691 -37.66425 233.7022 
1 1 1  -10   24    1 o  751.806   74.281   2.8004   0.5071   2.5486   0.5586   3.9805   1.2093  707.255   87.724  790.629  171.184 -83.37372 192.3524 
1 1 1  -10   24    2 o  687.099   66.439   2.3071   0.4148   2.5529   0.5586   2.0048   0.6194  708.545   87.538  606.545  115.187 101.9997 144.6753 
1 1 1  -10   24    3 o  609.075   95.031   1.9206   0.5152   1.7450   1.0132   1.9819   0.5983  510.937  176.869  606.967  111.230 -96.03006 208.9375 
1 1 1  -10   24    4 o  577.012   97.532   1.7334   0.4994   3.7265   1.1883   1.3059   0.5504  768.507  172.291  482.602  123.438 285.9058 211.9462 
1 1 1  -10   24    5 o  982.734   53.152   4.5987   0.4789   4.7882   0.6636   4.3928   0.6917  987.871   73.529  940.046   80.746 47.82513 109.2083 
1 1 1  -10   24    6 o  187.518   84.264  -0.0966   0.3034  -0.2129   0.4092   0.0455   0.4522  205.498   94.458  247.193  107.258 -41.69469 142.9215 
1 1 1  -10   24    7 o  716.778   96.498   2.6292   0.6203   2.6292   0.6203   0.0000   0.0000  716.778   96.498  ?   ?  0.000000 96.49783 
1 1 1  -10   24    8 o  833.369   62.483   3.3373   0.4757   3.9388   0.6748   2.7432   0.6706  891.581   83.210  729.479  102.753 162.1024 132.2205 
1 1 1  -10   24    9 o  312.257  100.507   0.4906   0.3281   0.2581   0.4851   0.6866   0.4454  286.837  116.820  362.430  117.150 -75.59311 165.4416 
1 1 1  -10   24   10 o  1576.30   63.051   11.830   0.9145   12.184   1.0546   10.758   1.8364  1591.55   72.013  1402.94  144.309 188.6049 161.2787 
1 1 1  -10   24   11 o  315.031  107.066   0.4811   0.3708  -0.0971   0.5251   1.0563   0.5237  251.348  112.045  444.257  123.603 -192.9085 166.8283 
1 1 1  -10   24   12 o  1143.13   63.872   6.2242   0.6692   7.5030   1.1339   5.5409   0.8289  1224.68  101.541  1064.22   85.360 160.4528 132.6532 
1 1 1  -10   24   13 o  1015.36   72.695   4.9650   0.6747   6.2682   1.1881   4.3447   0.8197  1102.35  119.019  933.601   96.824 168.7476 153.4286 
1 1 1  -10   24   14 o  281.008  112.633   0.2559   0.4430   0.7935   0.7670  -0.0132   0.5427  401.655  151.738  264.573  116.092 137.0818 191.0543 
1 1 1  -10   24   15 o  696.423   90.407   2.4240   0.5657   1.8718   0.8761   2.8187   0.7408  564.362  160.880  736.394  112.927 -172.0313 196.5577 
1 1 1  -10   24   16 o  414.870  119.229   0.9329   0.4793   0.6494   0.6608   1.2478   0.6963  366.646  140.279  465.934  146.021 -99.28745 202.4852 
1 1 1  -10   24   17 o  731.013  170.694   3.3414   1.1274   4.0354   1.6515   2.7359   1.5427  719.277  224.790  590.690  216.706 128.5873 312.2375 
1 1 1  -10   24   18 o  460.688  123.323   1.2138   0.5331   1.3491   0.8074   1.1092   0.7099  459.797  157.962  426.682  148.026 33.11548 216.4803 
1 1 1  -10   24   19 o  300.593  121.624   0.3962   0.5219   0.6632   0.7346   0.1243   0.7414  353.432  143.831  296.327  132.540 57.10510 195.5870 
1 1 1  -10   24   20 o  338.004  143.955   0.5615   0.7863   0.0350   1.3853   0.8117   0.9550  341.559  162.287  370.480  158.240 -28.92130 226.6649 
1 1 1  -10   26    1 o  903.412   79.852   4.0643   0.6570   3.7297   1.2258   4.1992   0.7782  758.654  178.558  904.612   94.901 -145.9578 202.2106 
1 1 1  -10   26    2 o  1348.10   68.561   8.8406   0.8477   6.4909   1.5009   9.9412   1.0272  1035.83  162.845  1417.20   79.084 -381.3688 181.0326 
1 1 1  -10   26    3 o  379.662  104.808   0.7719   0.3782   1.1122   0.4947   0.2936   0.5865  448.828  118.166  303.815  126.552 145.0128 173.1434 
1 1 1  -10   26    4 o  262.345  100.508   0.2800   0.3395   0.2690   0.4326   0.2977   0.5478  276.478  111.132  299.399  123.286 -22.92090 165.9812 
1 1 1  -10   26    5 o  231.433  100.075   0.0325   0.3909  -0.1128   0.4153   1.1636   1.1589  218.846   98.439  449.281  181.433 -230.4358 206.4174 
1 1 1  -10   26    6 o  221.766   97.807  -0.0393   0.3897   0.0243   0.4197  -0.4364   1.0490  238.057  103.315  313.870  146.654 -75.81300 179.3914 
1 1 1  -10   26    7 o  342.735  107.510   0.6077   0.3774   0.6850   0.5037   0.5089   0.5698  363.660  124.772  337.654  129.998 26.00607 180.1872 
1 1 1  -10   26    8 o  227.273   96.931   0.0518   0.3574   0.0366   0.5022   0.0674   0.5087  260.092  112.945  265.363  114.453 -5.270996 160.7979 
1 1 1  -10   26    9 o  820.996   71.031   3.2615   0.5313   2.9950   0.8123   3.4607   0.7024  752.918  121.381  831.486   93.419 -78.56738 153.1677 
1 1 1  -10   26   10 o  437.908  107.892   1.0068   0.4319   1.9490   0.6232   0.1359   0.5992  608.966  115.439  292.367  125.121 316.5981 170.2391 
1 1 1  -10   26   11 o  712.456   74.826   2.4743   0.4832   2.1716   0.6905   2.7647   0.6764  638.795  121.926  736.356  102.619 -97.56018 159.3633 
1 1 1  -10   26   12 o  378.248  113.959   0.7549   0.4294   0.7858   0.6247   0.7272   0.5911  388.579  138.522  376.873  134.705 11.70575 193.2197 
1 1 1  -10   26   13 f  373.397  116.555   0.7397   0.4442  -0.0373   0.6727   1.3401   0.5914  284.864  126.915  491.997  129.030 -207.1331 180.9866 
1 1 1  -10   26   14 o  506.234  114.251   1.3829   0.5196   1.9299   0.8469   1.0526   0.6580  565.507  157.115  429.500  142.594 136.0069 212.1754 
1 1 1  -10   26   15 o  225.709  101.731  -0.1095   0.4462   0.2105   0.6502  -0.3942   0.6133  301.758  129.770  237.809  111.443 63.94928 171.0545 
1 1 1  -10   26   16 f  385.019  138.791   0.8572   0.6288   0.3897   1.3631   0.9836   0.7087  378.765  173.470  404.986  147.137 -26.22095 227.4668 
1 1 1  -10   26   17 o  304.530  134.802   0.2137   0.7469   2.4503   1.5812  -0.4286   0.8474  507.156  209.224  269.427  127.698 237.7290 245.1146 
1 1 1  -10   26   18 o  355.801  132.044   0.7633   0.5756   0.8025   0.8159   0.7243   0.8122  363.854  150.214  354.980  148.483 8.873871 211.2137 
1 1 1  -10   28    1 f  487.214  103.153   1.2544   0.4480   1.3596   0.6014   1.1231   0.6717  489.908  130.904  439.909  143.985 49.99884 194.5959 
1 1 1  -10   28    2 o  807.547   70.848   3.1836   0.5211   3.1349   0.6721   3.2569   0.8253  783.860   95.128  778.855  118.925 5.005310 152.2909 
1 1 1  -10   28    3 o  281.649  110.951   0.3042   0.4228   0.4076   0.5599   0.1671   0.6448  318.101  126.930  299.320  128.975 18.78098 180.9583 
1 1 1  -10   28    4 o  316.972  122.771   0.4361   0.5106   0.5849   0.5892  -0.0122   1.0227  349.208  132.738  337.325  152.845 11.88284 202.4376 
1 1 1  -10   28    5 o  477.304  112.799   1.2230   0.4876   1.2694   0.5243   0.9261   1.3266  483.013  118.783  437.094  186.593 45.91870 221.1928 
1 1 1  -10   28    6 o  1084.05   64.389   5.6508   0.6394   5.9366   0.8021   5.1525   1.0591  1098.63   79.889  985.661  119.191 112.9690 143.4875 
1 1 1  -10   28    7 o  322.544  109.032   0.5242   0.3845  -0.0037   0.4907   1.3642   0.6190  251.136  110.291  492.740  133.302 -241.6036 173.0131 
1 1 1  -10   28    8 o  331.722  110.113   0.5633   0.3923   0.7072   0.5301   0.3889   0.5835  367.464  127.890  319.684  128.863 47.78061 181.5530 
1 1 1  -10   28    9 o  598.405   87.317   1.8050   0.4666   1.9761   0.6574   1.6313   0.6625  602.715  122.705  537.947  134.262 64.76825 181.8867 
1 1 1  -10   28   10 o  735.851  100.906   2.7960   0.6652   2.6633   0.7383   3.3689   1.5339  704.440  118.078  670.707  217.476 33.73297 247.4633 
1 1 1  -10   28   11 o  264.143  118.723  -0.0801   0.6027   0.4814   0.6967  -1.7513   1.2018  342.020  139.724  271.943  134.090 70.07687 193.6570 
1 1 1  -10   28   12 o  818.495   92.857   3.4352   0.6870   4.1793   1.0285   2.8358   0.9231  859.058  134.532  689.146  149.837 169.9118 201.3701 
1 1 1  -10   28   13 o  184.723   88.848  -0.5298   0.4433  -1.8306   0.6326   0.7252   0.6214  168.770   85.231  364.080  136.783 -195.3100 161.1642 
1 1 1  -10   28   14 o  231.251  104.221  -0.0716   0.4682  -0.5115   0.6708   0.3460   0.6537  236.130  112.406  309.764  131.576 -73.63443 173.0532 
1 1 1  -10   28   15 o  238.079  106.519  -0.0076   0.4793   0.2467   0.6812  -0.2568   0.6744  296.779  130.153  251.300  117.476 45.47942 175.3295 
1 1 1  -10   28   16 o  770.936  130.902   3.6370   0.8954   4.8288   1.7434   3.2100   1.0435  654.206  231.602  661.259  170.430 -7.053467 287.5518 
1 1 1  -10   28   17 o  376.772  177.642   1.0575   1.6004   1.0575   1.6004   0.0000   0.0000  376.772  177.642  ?   ?  0.000000 177.6422 
1 1 1  -10   30    1 o  557.535  109.679   1.6860   0.5426   1.2287   0.7208   2.2840   0.8243  447.456  149.286  614.820  147.581 -167.3636 209.9209 
1 1 1  -10   30    2 o  305.161  124.225   0.3628   0.5482   0.3031   0.5890   0.7501   1.5002  302.423  126.463  414.308  186.658 -111.8853 225.4644 
1 1 1  -10   30    3 o  246.588  109.947  -0.0394   0.5059   0.2833   0.5627  -1.4012   1.1559  296.477  123.764  275.121  134.823 21.35568 183.0157 
1 1 1  -10   30    4 o  461.946  113.138   1.1748   0.4771   1.1057   0.6013   1.2921   0.7838  434.872  135.599  456.422  155.652 -21.54929 206.4329 
1 1 1  -10   30    5 o  844.312   73.823   3.5229   0.5678   3.3662   0.7335   3.7572   0.8968  801.375  101.767  826.897  121.482 -25.52148 158.4753 
1 1 1  -10   30    6 o  560.682   98.357   1.6525   0.4889   1.4013   0.6142   2.0870   0.8078  490.486  132.824  586.015  149.363 -95.52869 199.8783 
1 1 1  -10   30    7 f  178.306   85.466  -0.4682   0.4023  -0.2755   0.5018  -0.8150   0.6732  221.275  102.730  221.226  107.159 0.4898071E-01 148.4469 
1 1 1  -10   30    8 o  350.019  121.946   0.6683   0.4820   0.7564   0.6893   0.5838   0.6744  371.587  143.005  346.652  138.959 24.93515 199.3990 
1 1 1  -10   30    9 o  664.791  100.484   2.3493   0.5955   2.8312   0.8934   1.9639   0.7989  682.111  146.692  557.834  151.648 124.2770 210.9875 
1 1 1  -10   30   10 o  380.556  127.294   0.8470   0.5241   0.3109   0.7254   1.4325   0.7581  314.028  136.052  468.184  152.946 -154.1555 204.7015 
1 1 1  -10   30   11 o  584.319  102.599   1.8648   0.5315   2.5217   0.7363   1.1499   0.7681  655.887  126.582  416.988  152.921 238.8983 198.5139 
1 1 1  -10   30   12 o  333.656  124.664   0.6341   0.5148   1.3137   0.7402  -0.0026   0.7164  437.323  151.181  276.472  126.298 160.8510 196.9947 
1 1 1  -10   30   13 o  243.026  108.443   0.0461   0.4932  -0.2417   0.6475   0.4439   0.7613  243.396  114.201  316.784  138.291 -73.38751 179.3496 
1 1 1  -10   30   14 o  367.467  132.945   0.8976   0.5777   0.7114   0.8004   1.1000   0.8347  339.582  144.951  382.851  154.197 -43.26947 211.6299 
1 1 1  -10   32    1 o  357.054  130.847   0.7706   0.5622   1.4228   0.7253  -0.2109   0.8898  456.148  149.635  283.184  133.191 172.9641 200.3259 
1 1 1  -10   32    2 o  274.331  118.066   0.2201   0.5390   0.7280   0.7246  -0.4092   0.8065  353.675  143.240  260.595  123.820 93.08029 189.3383 
1 1 1  -10   32    3 o  619.592  111.754   2.1762   0.6137   2.1625   0.8211   2.1935   0.9237  566.745  153.614  549.020  167.540 17.72528 227.3033 
1 1 1  -10   32    4 o  585.360  113.049   1.9560   0.5869   1.4577   0.7851   2.5871   0.8835  456.178  155.779  621.775  154.979 -165.5967 219.7404 
1 1 1  -10   32    5 o  525.135  124.488   1.6561   0.5924   1.7322   0.8068   1.5670   0.8726  495.992  157.399  461.211  163.790 34.78125 227.1601 
1 1 1  -10   32    6 o  222.167  101.746  -0.1215   0.4689  -0.0284   0.6181  -0.2477   0.7196  258.800  117.871  257.006  120.524 1.794800 168.5810 
1 1 1  -10   32    7 o  178.269   86.558  -0.5743   0.4462  -0.9305   0.5366   0.2235   0.8031  179.421   88.680  302.521  136.407 -123.0997 162.6995 
1 1 1  -10   32    8 o  277.463  115.127   0.3269   0.4827  -0.1174   0.5869   1.2555   0.8486  243.047  112.225  409.787  158.402 -166.7396 194.1278 
1 1 1  -10   32    9 o  308.405  123.750   0.5221   0.5354   1.0393   0.7244  -0.1004   0.7948  382.959  146.793  271.625  127.153 111.3336 194.2065 
1 1 1  -10   32   10 o  323.128  123.635   0.6402   0.5133   0.8081   0.6986   0.4431   0.7567  346.831  140.583  308.017  136.049 38.81326 195.6346 
1 1 1  -10   32   11 o  418.397  130.449   1.1974   0.5565   1.1119   0.7324   1.3143   0.8561  380.476  147.137  396.074  157.293 -15.59845 215.3839 
1 1 1  -10   32   12 o  207.704   98.887  -0.3108   0.5195  -0.4925   0.6324   0.0664   0.9110  215.744  104.348  282.189  133.346 -66.44492 169.3210 
1 1 1  -10   34    1 o  225.333  106.181  -0.1638   0.5703   0.0792   0.7208  -0.5709   0.9328  262.330  122.233  247.484  121.244 14.84679 172.1662 
1 1 1  -10   34    2 o  700.152  104.396   2.9217   0.6520   2.5387   0.8250   3.5591   1.0643  571.176  153.620  636.003  175.928 -64.82739 233.5589 
1 1 1  -10   34    3 o  469.620  132.704   1.5574   0.5988   1.5273   0.7594   1.6070   0.9738  425.186  152.602  402.700  164.934 22.48630 224.7017 
1 1 1  -10   34    4 o  291.392  122.083   0.4916   0.5504   1.0473   0.7098  -0.3464   0.8716  362.475  143.454  252.753  122.310 109.7226 188.5171 
1 1 1  -10   34    5 o  273.469  118.354   0.3575   0.5477  -0.0013   0.6678   1.0955   0.9576  251.083  117.214  352.240  154.398 -101.1567 193.8502 
1 1 1  -10   34    6 o  188.959   92.392  -0.6053   0.5339  -0.4036   0.6643  -0.9729   0.8971  222.866  107.589  227.098  112.672 -4.232239 155.7893 
1 1 1  -10   34    7 o  208.471   99.059  -0.2495   0.5163  -0.0710   0.6158  -0.6718   0.9473  237.383  111.379  242.739  119.565 -5.356033 163.4047 
1 1 1  -10   34    8 o  282.127  120.943   0.4561   0.5615  -0.0025   0.6603   1.6544   1.0673  246.494  115.550  383.333  165.557 -136.8391 201.8937 
1 1 1  -10   34    9 o  364.384  142.595   1.1365   0.6942   1.1365   0.6942   0.0000   0.0000  364.384  142.595  ?   ?  0.000000 142.5946 
1 1 1  -10   34   10 o  374.925  180.933   2.8534   1.8750   2.8534   1.8750   0.0000   0.0000  374.925  180.933  ?   ?  0.000000 180.9333 
1 1 1   -9    1    1 o  364.133   41.850   0.6196   0.1377   0.4905   0.1929   0.7537   0.1965  319.452   67.733  400.166   54.815 -80.71442 87.13432 
1 1 1   -9    1    2 o  679.585   31.584   2.1280   0.1975   2.2023   0.2829   2.0573   0.2759  689.393   44.839  666.157   45.273 23.23615 63.71905 
1 1 1   -9    1    3 o  1432.58   29.337   9.4544   0.3867   9.2918   0.5431   9.6216   0.5508  1419.28   41.589  1444.26   41.444 -24.98120 58.71311 
1 1 1   -9    1    4 o  2969.56   29.485   40.625   0.8057   40.479   1.1374   40.772   1.1414  2962.27   41.728  2972.97   41.723 -10.69336 59.00918 
1 1 1   -9    1    5 o  2651.49   31.051   32.392   0.7576   32.700   1.0831   32.097   1.0601  2662.09   44.215  2637.55   43.679 24.53760 62.15166 
1 1 1   -9    1    6 o  928.782   36.978   3.9763   0.3160   3.5629   0.4400   4.4168   0.4542  876.513   54.825  976.783   50.712 -100.2693 74.68263 
1 1 1   -9    1    7 o  1342.36   32.099   8.3003   0.3965   7.7968   0.6200   8.6488   0.5157  1299.76   51.837  1369.74   40.918 -69.97974 66.04092 
1 1 1   -9    1    8 o  1942.99   32.207   17.388   0.5758   17.902   0.9255   17.063   0.7355  1969.88   51.057  1924.09   41.545 45.79138 65.82428 
1 1 1   -9    1    9 o  437.473   51.512   0.8952   0.2034   1.0663   0.2939   0.7380   0.2817  475.281   69.244  392.031   80.783 83.25027 106.3984 
1 1 1   -9    1   10 o  2391.91   34.227   26.365   0.7533   27.250   0.9962   25.183   1.1513  2430.37   44.546  2334.95   53.584 95.42114 69.68207 
1 1 1   -9    1   11 f  586.541   41.156   1.5960   0.2207   1.7829   0.3174   1.4211   0.3071  617.965   56.440  550.258   61.725 67.70697 83.63853 
1 1 1   -9    1   12 o  575.898   61.289   1.5604   0.3198   1.4022   0.4506   1.7210   0.4539  537.370   94.590  599.493   84.634 -62.12347 126.9259 
1 1 1   -9    1   13 o  1001.20   34.849   4.6349   0.3211   4.0112   0.4329   5.3973   0.4786  927.443   50.921  1077.96   48.251 -150.5200 70.15083 
1 1 1   -9    1   14 o  261.496   80.472   0.3265   0.2126   0.4835   0.3033   0.1748   0.2981  315.034   95.966  238.174   93.370 76.86029 133.8934 
1 1 1   -9    1   15 o  307.756   80.855   0.4698   0.2319   0.5297   0.3343   0.4142   0.3221  327.542  100.940  297.168   99.784 30.37369 141.9354 
1 1 1   -9    1   16 o  1208.28   37.324   6.7814   0.4150   7.0913   0.5968   6.4914   0.5774  1229.75   52.744  1176.33   53.340 53.41724 75.01389 
1 1 1   -9    1   17 o  447.381   68.762   0.9708   0.2740   1.0497   0.4030   0.9029   0.3737  454.634   99.132  421.406   98.184 33.22778 139.5251 
1 1 1   -9    1   18 o  190.067   80.988   0.0161   0.2491  -0.0317   0.3677   0.0567   0.3386  220.270   96.133  225.503   95.182 -5.232910 135.2819 
1 1 1   -9    1   19 o  679.869   54.291   2.1792   0.3368   1.9654   0.4630   2.4195   0.4908  636.085   80.944  708.520   76.498 -72.43518 111.3728 
1 1 1   -9    1   20 o  634.262   59.567   1.9030   0.3436   1.9377   0.4906   1.8697   0.4813  630.692   86.848  619.346   86.833 11.34644 122.8111 
1 1 1   -9    1   21 o  1093.75   67.252   5.6469   0.6736   5.9830   0.9782   5.3440   0.9288  1111.32   96.623  1049.55   97.282 61.76917 137.1120 
1 1 1   -9    1   22 o  233.199   94.401   0.1274   0.3146  -0.5830   0.4484   0.8157   0.4414  189.010   90.500  402.171  114.028 -213.1600 145.5770 
1 1 1   -9    1   23 o  1051.08   74.310   5.2634   0.7141   6.0917   1.0530   4.5582   0.9716  1113.51  103.970  956.911  112.495 156.6025 153.1831 
1 1 1   -9    1   24 o  291.722  110.542   0.3357   0.4079  -0.2016   0.5314   1.1062   0.6363  244.143  110.439  455.934  139.039 -211.7908 177.5632 
1 1 1   -9    1   25 o  334.947  112.528   0.5583   0.4096   1.2358   0.5815  -0.1087   0.5770  476.875  129.278  261.417  116.923 215.4584 174.3097 
1 1 1   -9    1   26 o  461.959  106.645   1.1343   0.4441   1.5133   0.6119   0.7121   0.6457  521.096  128.429  373.046  139.576 148.0493 189.6718 
1 1 1   -9    3    1 o  841.281   29.316   3.2606   0.2269   3.3070   0.3214   3.2145   0.3205  846.689   41.251  834.729   41.728 11.95978 58.67595 
1 1 1   -9    3    2 o  1420.15   28.298   9.2906   0.3698   9.2111   0.5238   9.3696   0.5222  1413.17   40.279  1425.32   39.813 -12.14978 56.63395 
1 1 1   -9    3    3 o  2195.01   28.710   22.195   0.5799   21.688   0.8116   22.725   0.8288  2168.38   40.675  2219.64   40.580 -51.26538 57.45625 
1 1 1   -9    3    4 o  2886.03   29.825   38.373   0.7920   37.181   1.0900   39.707   1.1529  2839.02   41.723  2933.66   42.709 -94.64185 59.70670 
1 1 1   -9    3    5 o  2887.71   27.601   38.408   0.7334   37.605   1.1454   38.966   0.9548  2855.02   43.598  2907.53   35.689 -52.51050 56.34220 
1 1 1   -9    3    6 o  1435.07   27.616   9.4845   0.3647   9.3229   0.5143   9.6480   0.5171  1422.07   39.303  1446.68   38.848 -24.61523 55.26241 
1 1 1   -9    3    7 o  693.963   34.552   2.2186   0.2206   2.1164   0.3104   2.3230   0.3137  675.425   50.308  708.009   48.435 -32.58356 69.83440 
1 1 1   -9    3    8 o  1643.13   29.829   12.433   0.4510   12.722   0.6421   12.152   0.6336  1661.34   42.006  1623.68   42.405 37.66504 59.68796 
1 1 1   -9    3    9 o  1892.56   33.619   16.500   0.5855   15.720   0.8930   17.088   0.7753  1845.56   52.587  1925.13   43.767 -79.57764 68.41761 
1 1 1   -9    3   10 o  1946.00   39.260   17.464   0.7030   17.226   0.9867   17.709   1.0018  1930.45   55.549  1957.31   55.624 -26.86108 78.61139 
1 1 1   -9    3   11 o  1123.07   34.680   5.8188   0.3584   5.0276   0.4555   7.1046   0.5807  1042.69   47.474  1239.02   50.931 -196.3301 69.62579 
1 1 1   -9    3   12 o  723.597   61.129   2.4556   0.4032   2.2658   0.4799   2.9111   0.7434  691.015   76.777  774.277  107.218 -83.26221 131.8725 
1 1 1   -9    3   13 o  883.581   39.855   3.6165   0.3240   3.6985   0.4341   3.5132   0.4869  889.650   53.279  864.743   61.591 24.90747 81.43775 
1 1 1   -9    3   14 o  765.280   42.075   2.7283   0.2951   3.4216   0.4397   2.1596   0.3982  853.319   56.313  674.557   64.957 178.7615 85.96814 
1 1 1   -9    3   15 o  610.056   48.036   1.7478   0.2675   1.6395   0.3772   1.8573   0.3793  583.485   71.766  623.122   67.224 -39.63690 98.33346 
1 1 1   -9    3   16 f  615.908   50.804   1.7881   0.2854   2.0714   0.4125   1.5283   0.3951  656.778   69.311  559.525   78.938 97.25354 105.0487 
1 1 1   -9    3   17 o  542.076   56.880   1.3966   0.2795   0.9777   0.3818   1.8800   0.4102  439.121   97.075  624.023   72.811 -184.9021 121.3466 
1 1 1   -9    3   18 o  278.933   90.448   0.3712   0.2653   0.0720   0.3747   0.6720   0.3757  237.883  100.255  363.834  105.844 -125.9503 145.7874 
1 1 1   -9    3   19 o  1195.97   42.205   6.6548   0.4645   6.4318   0.6576   6.8768   0.6561  1167.03   61.452  1209.38   58.961 -42.35339 85.16308 
1 1 1   -9    3   20 o  1215.59   43.953   6.8712   0.4916   6.5642   0.6891   7.1894   0.7016  1179.67   63.722  1237.12   61.632 -57.44373 88.65039 
1 1 1   -9    3   21 o  2037.31   55.869   19.392   1.0474   19.455   1.4860   19.330   1.4765  2024.62   79.762  2018.34   79.499 6.282837 112.6143 
1 1 1   -9    3   22 o  700.128   62.259   2.3166   0.3969   2.3797   0.5766   2.2598   0.5471  699.170   91.853  682.074   89.325 17.09601 128.1246 
1 1 1   -9    3   23 o  1113.47   71.637   5.8931   0.7301   5.9258   1.0262   5.8597   1.0389  1098.37  102.725  1090.80  104.797 7.570557 146.7475 
1 1 1   -9    3   24 o  1054.84   54.995   5.2396   0.5319   5.0592   0.7635   5.4098   0.7415  1022.40   81.844  1060.69   76.491 -38.28473 112.0235 
1 1 1   -9    3   25 o  312.720  111.555   0.4592   0.4052   0.0437   0.5577   0.9238   0.5897  273.635  118.924  414.337  134.878 -140.7021 179.8195 
1 1 1   -9    3   26 o  453.201  111.559   1.1073   0.4621   0.5420   0.6178   1.8250   0.6962  344.268  134.575  567.619  135.216 -223.3506 190.7718 
1 1 1   -9    5    1 o  1164.46   34.484   6.2506   0.3695   6.0610   0.4261   6.8253   0.7420  1146.26   40.396  1211.83   66.798 -65.56506 78.06306 
1 1 1   -9    5    2 o  1893.63   33.660   16.527   0.5865   16.931   0.6983   15.561   1.0805  1915.96   39.610  1833.11   64.060 82.85083 75.31721 
1 1 1   -9    5    3 o  3271.19   25.101   49.280   0.7555   49.717   1.2195   49.008   0.9625  3283.12   40.368  3261.14   32.076 21.98730 51.56025 
1 1 1   -9    5    4 o  334.638   40.524   0.5240   0.1222   0.4311   0.1741   0.6143   0.1717  299.458   65.037  360.808   53.319 -61.35019 84.09934 
1 1 1   -9    5    5 o  2601.74   25.312   31.170   0.6060   31.163   0.8578   31.178   0.8562  2600.30   35.850  2600.93   35.774 -0.6279297 50.64576 
1 1 1   -9    5    6 o  2451.30   26.514   27.669   0.5980   27.735   0.8458   27.602   0.8457  2453.24   37.467  2447.32   37.556 5.915283 53.04919 
1 1 1   -9    5    7 o  2934.36   27.506   39.648   0.7427   40.656   1.0708   38.713   1.0310  2970.19   39.178  2898.43   38.656 71.76025 55.03844 
1 1 1   -9    5    8 o  671.235   40.425   2.0841   0.2485   2.1778   0.3960   2.0233   0.3192  683.570   63.690  660.024   53.007 23.54602 82.86256 
1 1 1   -9    5    9 o  812.515   37.142   3.0427   0.2777   3.0460   0.3969   3.0396   0.3886  810.436   53.525  809.706   52.445 0.7293701 74.93606 
1 1 1   -9    5   10 o  2627.94   38.602   31.861   0.9334   32.404   1.3334   31.339   1.3071  2646.57   54.755  2602.78   54.578 43.78979 77.31039 
1 1 1   -9    5   11 o  1630.21   37.074   12.273   0.5561   12.190   0.7253   12.390   0.8663  1622.58   48.582  1633.70   57.625 -11.11963 75.37138 
1 1 1   -9    5   12 o  794.990   53.792   2.9521   0.3912   3.0892   0.5437   2.8049   0.5633  808.062   73.935  767.536   80.981 40.52557 109.6551 
1 1 1   -9    5   13 o  411.387   62.800   0.8103   0.2302   0.6967   0.2995   0.9742   0.3597  375.077   88.260  444.063   91.098 -68.98596 126.8405 
1 1 1   -9    5   14 o  799.943   43.883   2.9859   0.3218   3.2849   0.4274   2.5946   0.4889  835.607   55.909  736.255   73.133 99.35187 92.05628 
1 1 1   -9    5   15 o  837.956   44.834   3.2832   0.3444   3.5382   0.4620   2.9641   0.5168  865.260   58.373  786.007   72.260 79.25250 92.89190 
1 1 1   -9    5   16 o  395.581   78.446   0.7749   0.2755   0.8187   0.3674   0.7188   0.4162  400.283  100.040  374.579  112.053 25.70355 150.2126 
1 1 1   -9    5   17 o  507.101   69.130   1.2429   0.3142   1.3330   0.4180   1.1259   0.4762  516.927   91.218  465.911  112.385 51.01596 144.7445 
1 1 1   -9    5   18 o  369.241   82.233   0.6794   0.2722   0.9597   0.3822   0.3907   0.3878  435.172   97.824  299.620  108.849 135.5522 146.3481 
1 1 1   -9    5   19 o  929.646   47.691   4.0427   0.4066   3.7403   0.5688   4.3585   0.5814  885.543   70.390  958.151   66.349 -72.60809 96.73169 
1 1 1   -9    5   20 o  788.401   55.480   2.9211   0.3999   3.2369   0.5794   2.6337   0.5527  822.204   77.499  738.941   82.701 83.26373 113.3387 
1 1 1   -9    5   21 o  1864.81   56.942   16.259   0.9771   16.234   1.3730   16.284   1.3908  1848.56   80.717  1850.70   81.669 -2.141724 114.8264 
1 1 1   -9    5   22 o  311.611  102.669   0.4581   0.3413   0.5904   0.5034   0.3456   0.4643  356.984  124.611  306.161  117.484 50.82352 171.2610 
1 1 1   -9    5   23 o  833.822   82.296   3.3555   0.6232   3.0380   0.8510   3.7227   0.9151  770.927  124.179  857.981  119.131 -87.05469 172.0832 
1 1 1   -9    5   24 o  676.692   71.953   2.2075   0.4412   2.7862   0.6560   1.7299   0.5961  747.721   97.683  577.443  116.202 170.2784 151.8056 
1 1 1   -9    5   25 o  429.213  107.263   0.9700   0.4224   0.8239   0.5859   1.1282   0.6097  394.036  134.571  451.162  135.773 -57.12595 191.1642 
1 1 1   -9    5   26 o  1002.26   62.203   4.8369   0.5708   5.1775   0.8175   4.5128   0.7974  1014.64   88.446  942.567   93.160 72.06842 128.4582 
1 1 1   -9    7    1 o  755.709   56.987   2.6551   0.3934   1.9843   0.5262   3.5047   0.5922  646.642   90.950  865.958   75.064 -219.3152 117.9253 
1 1 1   -9    7    2 o  2057.02   24.215   19.484   0.4583   19.273   0.5794   19.837   0.7492  2045.31   30.786  2074.11   39.257 -28.79517 49.88874 
1 1 1   -9    7    3 o  2357.17   22.990   25.582   0.4987   25.129   0.6969   26.058   0.7138  2335.32   32.430  2378.11   32.621 -42.79175 45.99876 
1 1 1   -9    7    4 o  1504.68   25.114   10.425   0.3477   10.369   0.4914   10.481   0.4921  1500.05   35.602  1508.09   35.461 -8.038696 50.24883 
1 1 1   -9    7    5 o  1185.19   27.662   6.4685   0.3017   6.5603   0.4262   6.3764   0.4270  1193.05   38.826  1176.18   39.458 16.87354 55.35688 
1 1 1   -9    7    6 o  422.776   44.139   0.8330   0.1692   1.0285   0.2456   0.6567   0.2334  468.351   58.257  370.651   71.004 97.70001 91.84508 
1 1 1   -9    7    7 o  2679.85   30.250   33.075   0.7459   32.218   1.1347   33.728   0.9899  2643.02   46.658  2705.15   39.767 -62.12671 61.30588 
1 1 1   -9    7    8 o  3541.98   31.161   57.791   1.0156   59.198   1.6150   56.871   1.3062  3581.61   49.004  3512.18   40.417 69.42334 63.52110 
1 1 1   -9    7    9 o  754.809   39.791   2.6355   0.2754   2.4515   0.3859   2.8266   0.3931  725.572   58.291  779.886   55.138 -54.31470 80.23784 
1 1 1   -9    7   10 o  1283.18   43.669   7.6107   0.5156   6.9859   0.7207   8.2658   0.7380  1224.47   64.188  1334.51   60.099 -110.0378 87.93212 
1 1 1   -9    7   11 o  960.874   42.558   4.2741   0.3763   4.1626   0.4856   4.4417   0.5953  944.502   56.124  972.959   66.902 -28.45709 87.32594 
1 1 1   -9    7   12 o  1192.19   48.348   6.6056   0.5304   7.2201   0.7454   5.9754   0.7549  1239.56   65.582  1124.34   73.366 115.2186 98.40456 
1 1 1   -9    7   13 o  600.808   55.221   1.7016   0.3019   1.5908   0.4164   1.8243   0.4382  572.811   81.290  614.778   79.310 -41.96704 113.5700 
1 1 1   -9    7   14 o  243.764   89.961   0.2371   0.2664   0.0741   0.3685   0.4157   0.3857  236.954   99.614  305.223  108.844 -68.26888 147.5465 
1 1 1   -9    7   15 f  399.599   72.981   0.7837   0.2585   1.2994   0.3518   0.1788   0.3810  515.966   76.409  256.811  103.915 259.1551 128.9830 
1 1 1   -9    7   16 o  730.677   50.033   2.5122   0.3344   2.5936   0.4343   2.3938   0.5240  737.070   64.685  699.802   82.993 37.26862 105.2233 
1 1 1   -9    7   17 o  672.776   54.011   2.1383   0.3315   2.4221   0.4298   1.7213   0.5210  711.719   66.393  584.486  100.498 127.2337 120.4487 
1 1 1   -9    7   18 f  380.827   81.419   0.7210   0.2767   0.7744   0.3633   0.6473   0.4270  389.944  100.578  359.341  114.555 30.60287 152.4427 
1 1 1   -9    7   19 o  568.402   66.878   1.5460   0.3431   1.7188   0.4554   1.3192   0.5218  592.698   86.006  506.769  114.590 85.92892 143.2760 
1 1 1   -9    7   20 o  514.877  103.047   1.3274   0.4712   1.1867   0.6529   1.4803   0.6806  476.997  139.757  531.235  137.992 -54.23767 196.4021 
1 1 1   -9    7   21 o  1219.87   49.348   6.9316   0.5539   7.6423   0.7627   6.1383   0.8058  1273.46   65.307  1135.32   77.602 138.1378 101.4251 
1 1 1   -9    7   22 o  533.231   76.253   1.3742   0.3635   1.3578   0.5033   1.3921   0.5255  518.178  109.012  523.519  112.445 -5.340942 156.6127 
1 1 1   -9    7   23 o  862.278   84.731   3.6065   0.6636   3.1962   0.9538   3.9915   0.9239  779.725  137.987  888.755  115.715 -109.0295 180.0847 
1 1 1   -9    7   24 o  261.589  104.003   0.2188   0.3747   0.3876   0.5371   0.0588   0.5229  318.906  125.241  269.743  116.189 49.16241 170.8366 
1 1 1   -9    7   25 o  236.780  102.281   0.0345   0.4075  -0.4052   0.5779   0.4695   0.5748  232.109  108.581  331.237  129.712 -99.12767 169.1597 
1 1 1   -9    7   26 o  358.962  139.006   0.6430   0.6544  -0.4185   0.9181   1.7396   0.9331  290.881  136.323  518.602  169.698 -227.7206 217.6725 
1 1 1   -9    9    1 o  1915.16   33.778   16.899   0.5953   16.446   0.6704   18.589   1.2939  1888.87   38.573  2003.86   70.170 -114.9908 80.07312 
1 1 1   -9    9    2 o  1798.49   25.208   14.893   0.4172   14.111   0.6639   15.403   0.5362  1749.48   41.244  1828.60   31.870 -79.12183 52.12242 
1 1 1   -9    9    3 o  669.409   30.772   2.0640   0.1895   1.9496   0.3110   2.1316   0.2391  647.769   52.637  678.987   38.422 -31.21851 65.16783 
1 1 1   -9    9    4 o  2040.85   25.206   19.177   0.4734   19.889   0.6970   18.568   0.6449  2077.53   36.461  2007.49   34.909 70.04150 50.47863 
1 1 1   -9    9    5 o  2385.32   27.784   26.201   0.6098   25.379   0.9239   26.836   0.8118  2346.14   42.798  2413.26   36.556 -67.12109 56.28500 
1 1 1   -9    9    6 o  1655.63   30.292   12.625   0.4615   12.246   0.7011   12.915   0.6130  1629.33   46.765  1673.86   39.800 -44.52356 61.40823 
1 1 1   -9    9    7 f  3545.07   27.936   57.884   0.9113   57.255   1.2709   58.549   1.3073  3523.92   39.195  3563.40   39.871 -39.48218 55.90984 
1 1 1   -9    9    8 o  803.361   36.872   2.9766   0.2726   2.9784   0.3950   2.9750   0.3766  800.708   53.928  800.594   51.389 0.1136475 74.49223 
1 1 1   -9    9    9 o  382.812   74.439   0.7061   0.2528   0.8847   0.3873   0.5736   0.3336  424.958  100.596  344.924   99.574 80.03326 141.5434 
1 1 1   -9    9   10 f  976.393   41.449   4.4116   0.3724   4.7484   0.5008   3.9953   0.5569  1009.52   54.113  922.840   66.017 86.68280 85.36118 
1 1 1   -9    9   11 o  1131.77   38.194   5.9301   0.3978   5.3208   0.5523   6.5864   0.5733  1066.70   56.472  1189.51   52.377 -122.8064 77.02248 
1 1 1   -9    9   12 o  239.067   94.421   0.1683   0.3069   0.3530   0.4275  -0.0280   0.4409  301.063  113.390  243.005  105.674 58.05873 154.9974 
1 1 1   -9    9   13 o  745.328   48.960   2.6049   0.3339   2.7810   0.4668   2.4205   0.4778  764.061   67.080  709.682   74.265 54.37885 100.0756 
1 1 1   -9    9   14 o  745.278   52.232   2.6170   0.3559   3.2094   0.5115   2.0609   0.4956  819.087   68.497  648.127   85.158 170.9601 109.2879 
1 1 1   -9    9   15 o  283.628   95.435   0.3799   0.2946  -0.0913   0.3942   0.9759   0.4434  219.089   97.411  432.997  110.813 -213.9081 147.5413 
1 1 1   -9    9   16 o  280.429   92.277   0.3753   0.2758  -0.0264   0.3439   1.0985   0.4615  213.309   93.039  459.923  110.432 -246.6145 144.4004 
1 1 1   -9    9   17 o  659.400   56.674   2.0604   0.3405   2.1010   0.4611   2.0116   0.5050  657.761   77.688  638.672   88.295 19.08893 117.6077 
1 1 1   -9    9   18 o  300.929   95.192   0.4408   0.2953   0.5724   0.4019   0.2866   0.4352  341.142  111.366  287.667  112.806 53.47501 158.5166 
1 1 1   -9    9   19 o  256.686   98.012   0.2383   0.3222   0.3749   0.4533   0.0988   0.4580  308.193  116.594  263.930  111.014 44.26300 160.9911 
1 1 1   -9    9   20 o  335.110  119.100   0.5029   0.4615   0.9773   0.6939   0.1266   0.6179  439.982  146.451  303.401  128.350 136.5802 194.7345 
1 1 1   -9    9   21 o  905.465   54.445   3.8449   0.4515   3.5428   0.5932   4.2610   0.6962  861.464   75.596  942.863   81.029 -81.39893 110.8178 
1 1 1   -9    9   22 o  282.241  105.077   0.3188   0.3651   0.3431   0.4854   0.2872   0.5540  307.973  119.588  311.226  125.528 -3.253693 173.3740 
1 1 1   -9    9   23 o  455.366  132.780   1.1040   0.5906   1.4725   0.6750  -0.1002   1.2202  522.091  138.296  372.150  167.939 149.9412 217.5528 
1 1 1   -9    9   24 o  670.301   81.180   2.2113   0.4905   1.9398   0.6324   2.6210   0.7770  606.524  117.564  701.985  124.867 -95.46027 171.5023 
1 1 1   -9    9   25 o  553.071   95.575   1.5771   0.4688   0.8997   0.5987   2.6511   0.7538  402.292  136.040  699.542  121.520 -297.2503 182.4117 
1 1 1   -9    9   26 o  703.901  154.597   3.0110   0.9739   2.4814   1.4679   3.4275   1.3017  556.966  210.034  694.972  195.399 -138.0061 286.8706 
1 1 1   -9   11    1 o  2185.75   39.918   22.027   0.8029   0.0000   0.0000   22.027   0.8029  ?   ?   2185.75   39.918 0.000000 39.91824 
1 1 1   -9   11    2 o  980.309   44.874   4.4330   0.4048   0.0000   0.0000   4.4330   0.4048  ?   ?   980.309   44.874 0.000000 44.87433 
1 1 1   -9   11    3 o  2239.02   33.525   23.099   0.6907   22.736   1.1123   23.326   0.8812  2218.72   54.482  2249.00   42.581 -30.28516 69.14730 
1 1 1   -9   11    4 o  2033.06   31.158   19.042   0.5829   20.200   1.1276   18.620   0.6809  2090.47   58.622  2009.86   36.817 80.60510 69.22443 
1 1 1   -9   11    5 o  533.861   42.391   1.3230   0.2065   1.0434   0.3298   1.5034   0.2649  467.704   79.483  568.239   51.210 -100.5348 94.55196 
1 1 1   -9   11    6 o  1145.91   33.123   6.0531   0.3493   6.8033   0.5854   5.6385   0.4352  1213.07   52.443  1105.26   42.792 107.8141 67.68647 
1 1 1   -9   11    7 o  1202.76   33.348   6.6721   0.3691   7.3517   0.5697   6.1807   0.4845  1260.72   49.113  1156.40   45.530 104.3242 66.97066 
1 1 1   -9   11    8 o  415.640   61.365   0.8201   0.2276   1.0517   0.3609   0.6670   0.2934  465.892   87.384  369.504   87.615 96.38882 123.7434 
1 1 1   -9   11    9 o  812.910   57.609   3.0927   0.4281   2.9661   0.5569   3.2757   0.6695  790.593   77.548  827.204   89.377 -36.61133 118.3299 
1 1 1   -9   11   10 o  1378.25   35.442   8.7892   0.4495   9.0687   0.6396   8.5165   0.6318  1396.16   49.786  1352.69   50.759 43.47253 71.09974 
1 1 1   -9   11   11 o  797.505   44.186   2.9660   0.3230   3.0483   0.4606   2.8863   0.4531  803.117   62.825  781.109   63.586 22.00751 89.38784 
1 1 1   -9   11   12 o  393.496   70.702   0.7555   0.2466   0.7569   0.3560   0.7541   0.3419  386.340   99.520  386.213   96.490 0.1272278 138.6166 
1 1 1   -9   11   13 o  156.150   71.930  -0.1672   0.2390  -0.1040   0.3231  -0.2435   0.3552  195.820   87.549  189.097   87.312 6.722763 123.6455 
1 1 1   -9   11   14 o  962.159   46.674   4.3311   0.4132   4.9812   0.5979   3.7367   0.5717  1022.69   63.859  881.596   71.083 141.0933 95.55530 
1 1 1   -9   11   15 f  1014.39   45.989   4.8118   0.4293   4.3823   0.5895   5.2967   0.6263  957.155   67.359  1054.09   64.890 -96.93591 93.53075 
1 1 1   -9   11   16 o  486.487   72.158   1.1528   0.3132   1.1547   0.4293   1.1507   0.4581  475.306  101.247  471.677  107.885 3.628998 147.9534 
1 1 1   -9   11   17 o  414.131   88.753   0.8613   0.3280   0.5887   0.4456   1.1840   0.4847  346.802  117.367  477.742  112.176 -130.9404 162.3532 
1 1 1   -9   11   18 o  328.652   97.409   0.5382   0.3156   0.5472   0.4238   0.5270   0.4730  337.694  114.456  338.432  120.543 -0.7381287 166.2248 
1 1 1   -9   11   19 o  446.409   84.892   0.9822   0.3360   1.0196   0.4564   0.9380   0.4964  446.988  111.364  427.503  120.833 19.48526 164.3245 
1 1 1   -9   11   20 o  605.756   90.624   1.7962   0.4896   2.2786   0.7472   1.4332   0.6482  666.885  126.384  523.585  133.983 143.3008 184.1856 
1 1 1   -9   11   21 o  1057.71   52.378   5.2284   0.5098   4.9330   0.6646   5.6505   0.7945  1018.38   71.377  1085.76   80.088 -67.37854 107.2787 
1 1 1   -9   11   22 f  539.394  131.767   1.5422   0.6484   1.7150   0.7981   1.2067   1.1120  559.518  151.360  483.656  182.703 75.86108 237.2554 
1 1 1   -9   11   23 o  312.933  110.862   0.4567   0.3995   0.8124   0.5701   0.1135   0.5600  395.541  132.766  284.099  121.257 111.4423 179.8056 
1 1 1   -9   11   24 o  251.656  106.256   0.1136   0.4222   0.2988   0.5646  -0.1214   0.6359  304.862  125.308  269.475  121.454 35.38693 174.5082 
1 1 1   -9   11   25 o  542.518  105.631   1.5691   0.5083   1.6655   0.6628   1.4313   0.7921  537.150  134.427  480.665  156.312 56.48489 206.1652 
1 1 1   -9   13    1 f  2658.12   29.713   32.566   0.7268   32.896   1.0213   32.228   1.0344  2669.25   41.582  2641.78   42.553 27.46436 59.49616 
1 1 1   -9   13    2 o  1077.25   32.819   5.3508   0.3253   5.2091   0.4569   5.4965   0.4633  1061.69   46.771  1090.65   46.162 -28.95850 65.71543 
1 1 1   -9   13    3 o  202.816   65.700   0.1850   0.1400   0.0753   0.2177   0.2623   0.1828  194.107   78.553  238.579   74.830 -44.47209 108.4899 
1 1 1   -9   13    4 o  1708.20   33.570   13.460   0.5277   12.626   0.7419   14.313   0.7506  1652.08   48.806  1759.43   46.364 -107.3435 67.31699 
1 1 1   -9   13    5 o  1143.90   37.049   6.0419   0.3900   6.7363   0.5821   5.4766   0.5252  1205.67   52.471  1087.10   52.508 118.5685 74.23125 
1 1 1   -9   13    6 o  1078.09   47.089   5.3841   0.4671   6.0275   0.9405   5.1734   0.5382  1126.67   91.507  1053.92   55.697 72.74365 107.1241 
1 1 1   -9   13    7 o  462.466   78.849   1.0329   0.3235   0.2793   0.5608   1.4088   0.3960  316.691  126.802  540.925   82.150 -224.2339 151.0873 
1 1 1   -9   13    8 f  669.345   50.138   2.0954   0.3066   2.1656   0.4613   2.0398   0.4103  673.715   75.715  655.605   69.051 18.10968 102.4736 
1 1 1   -9   13    9 o  622.419   69.329   1.8469   0.3903   1.5958   0.7919   1.9274   0.4486  547.862  151.829  632.910   78.730 -85.04773 171.0271 
1 1 1   -9   13   10 o  867.955   45.104   3.5173   0.3590   3.3217   0.5662   3.6488   0.4642  832.911   74.669  880.065   57.643 -47.15381 94.32990 
1 1 1   -9   13   11 o  613.013   67.113   1.8014   0.3724   1.8336   0.5013   1.7617   0.5562  608.027   92.516  589.111  106.535 18.91602 141.0990 
1 1 1   -9   13   12 o  574.920   60.221   1.5782   0.3139   2.0378   0.4842   1.2453   0.4121  644.046   83.685  497.217   93.515 146.8289 125.4921 
1 1 1   -9   13   13 o  268.175   91.366   0.3354   0.2700   0.6206   0.4286   0.1477   0.3477  350.526  115.031  242.187   98.802 108.3387 151.6379 
1 1 1   -9   13   14 o  310.491   94.942   0.4824   0.2964   0.5339   0.4387   0.4392   0.4021  332.677  116.315  309.220  111.039 23.45737 160.8074 
1 1 1   -9   13   15 o  219.849   89.000   0.1228   0.2796   0.2476   0.4060   0.0102   0.3856  273.150  108.371  230.072   99.439 43.07822 147.0791 
1 1 1   -9   13   16 o  738.182   57.283   2.5835   0.3860   2.5558   0.5492   2.6106   0.5428  722.096   84.232  730.971   82.122 -8.875366 117.6394 
1 1 1   -9   13   17 o  590.931   67.472   1.6767   0.3603   2.3051   0.5386   1.1677   0.4847  685.213   87.412  474.709  112.664 210.5041 142.5977 
1 1 1   -9   13   18 o  447.025   93.723   1.0006   0.3732   1.7539   0.5631   0.4104   0.4984  589.315  107.811  321.080  122.068 268.2348 162.8614 
1 1 1   -9   13   19 o  1021.02   60.178   4.9104   0.5629   4.9990   0.8690   4.8464   0.7388  1013.48   94.269  1005.18   80.551 8.306702 123.9962 
1 1 1   -9   13   20 o  911.482   66.248   3.9384   0.5518   4.8797   0.7841   3.0148   0.7767  1005.60   85.556  775.573  112.089 230.0264 141.0100 
1 1 1   -9   13   21 o  348.337  102.895   0.6092   0.3526   0.4407   0.4675   0.8316   0.5372  321.441  119.056  403.277  128.483 -81.83591 175.1635 
1 1 1   -9   13   22 o  284.401  124.851  -0.0093   0.6283   1.0296   0.8002  -1.6797   1.0146  441.339  156.834  254.669  125.105 186.6697 200.6195 
1 1 1   -9   13   23 o  370.505  109.519   0.7205   0.3994   0.3722   0.5173   1.2348   0.6284  310.202  122.559  470.209  136.926 -160.0074 183.7650 
1 1 1   -9   13   24 f  226.687  101.235  -0.0729   0.4308  -0.1799   0.5622   0.0791   0.6703  245.915  112.162  291.922  128.536 -46.00710 170.5925 
1 1 1   -9   15    1 o  706.938   42.618   2.3236   0.2759   2.4224   0.3552   2.1734   0.4382  719.606   54.039  677.165   71.397 42.44012 89.54185 
1 1 1   -9   15    2 o  482.490   47.421   1.0904   0.2078   1.2022   0.2862   0.9657   0.3022  503.598   63.154  447.378   76.145 56.22058 98.92698 
1 1 1   -9   15    3 o  869.617   41.174   3.5027   0.3295   3.3325   0.4288   3.7479   0.5147  844.170   55.517  893.431   63.013 -49.26147 83.98061 
1 1 1   -9   15    4 o  385.878   60.766   0.7117   0.2086   0.9936   0.3070   0.4698   0.2844  453.464   76.274  311.384   92.509 142.0808 119.8988 
1 1 1   -9   15    5 f  2235.10   38.743   23.141   0.7968   22.796   1.0258   23.666   1.2652  2213.20   50.369  2249.00   61.139 -35.80859 79.21539 
1 1 1   -9   15    6 o  269.299   80.973   0.3488   0.2169   0.4813   0.3199   0.2360   0.2952  315.924   98.970  251.281   94.296 64.64333 136.6997 
1 1 1   -9   15    7 o  836.990   46.335   3.2708   0.3555   3.0558   0.4997   3.4910   0.5057  802.033   68.367  859.064   64.448 -57.03168 93.95547 
1 1 1   -9   15    8 o  649.861   67.080   2.0165   0.3954   3.4095   0.8408   1.6211   0.4480  822.344  114.203  574.515   87.501 247.8282 143.8708 
1 1 1   -9   15    9 o  1251.95   41.124   7.2960   0.4737   7.8068   0.7484   6.9545   0.6119  1284.85   63.306  1216.90   54.649 67.95251 83.63071 
1 1 1   -9   15   10 o  168.492   75.347  -0.0842   0.2395  -0.1297   0.4007  -0.0589   0.2987  216.005   96.966  193.883   85.565 22.12123 129.3203 
1 1 1   -9   15   11 o  203.212   93.003  -0.2093   0.3908  -0.4822   0.7147  -0.0929   0.4668  258.968  121.018  237.538  105.785 21.43054 160.7352 
1 1 1   -9   15   12 o  1223.58   52.355   7.0504   0.5895   6.1344   1.2313   7.3227   0.6714  1078.64  126.461  1243.32   58.686 -164.6849 139.4145 
1 1 1   -9   15   13 o  345.828   94.625   0.6121   0.3099   0.4902   0.4977   0.6892   0.3959  329.340  122.675  364.563  109.341 -35.22281 164.3313 
1 1 1   -9   15   14 o  366.638   95.876   0.6895   0.3271   0.8524   0.5286   0.5884   0.4165  401.369  127.407  342.308  113.437 59.06168 170.5885 
1 1 1   -9   15   15 o  519.187   78.677   1.3258   0.3641   1.7065   0.5902   1.0919   0.4626  571.115  116.256  456.904  111.108 114.2114 160.8116 
1 1 1   -9   15   16 o  390.413  101.907   0.7821   0.3700   0.8222   0.5840   0.7552   0.4782  399.769  134.369  383.124  121.145 16.64484 180.9176 
1 1 1   -9   15   17 o  200.561   89.405  -0.1000   0.3343   0.0939   0.5701  -0.2017   0.4128  286.654  122.343  212.266   96.540 74.38786 155.8457 
1 1 1   -9   15   18 o  635.404   73.058   1.9392   0.4194   2.0532   0.6505   1.8580   0.5486  635.457  115.497  610.448  101.218 25.00922 153.5725 
1 1 1   -9   15   19 o  489.071  133.543   1.2595   0.6179   2.6115   1.5308   0.9964   0.6753  653.360  217.530  439.583  144.396 213.7769 261.0931 
1 1 1   -9   15   20 o  504.513   95.191   1.2736   0.4257   0.2710   0.5798   2.4463   0.6270  312.045  127.473  701.183  100.018 -389.1376 162.0278 
1 1 1   -9   15   21 o  495.416   94.563   1.2372   0.4154   0.9521   0.5371   1.6614   0.6551  424.340  127.372  557.361  130.101 -133.0210 182.0712 
1 1 1   -9   15   22 o  759.506  117.488   3.0262   0.7946   3.6839   0.9707   1.6908   1.3832  826.533  132.081  518.914  201.774 307.6192 241.1599 
1 1 1   -9   15   23 o  316.204  115.310   0.4848   0.4358  -0.0631   0.5924   1.1315   0.6435  264.168  118.291  442.273  140.601 -178.1049 183.7433 
1 1 1   -9   15   24 o  329.609  121.780   0.5576   0.4885   0.3998   0.6688   0.7382   0.7154  322.972  134.882  370.740  144.840 -47.76736 197.9187 
1 1 1   -9   17    1 o  205.762   75.016   0.1682   0.1844   0.3011   0.2429  -0.0128   0.2835  256.728   86.655  197.183   85.240 59.54556 121.5526 
1 1 1   -9   17    2 o  467.600   54.433   1.0373   0.2298   1.2381   0.3146   0.8073   0.3366  507.080   69.223  400.933   93.036 106.1476 115.9632 
1 1 1   -9   17    3 o  146.309   64.445  -0.0415   0.1686  -0.1782   0.2234   0.1397   0.2572  148.464   68.791  218.590   86.398 -70.12596 110.4396 
1 1 1   -9   17    4 o  437.996   59.777   0.9183   0.2346   0.6514   0.3291   1.1942   0.3346  359.271   97.195  495.341   75.824 -136.0691 123.2725 
1 1 1   -9   17    5 o  861.839   43.984   3.4708   0.3476   3.5102   0.5033   3.4349   0.4807  859.385   64.111  851.025   61.813 8.359192 89.05624 
1 1 1   -9   17    6 o  1143.90   41.705   6.0955   0.4390   6.1125   0.6201   6.0783   0.6215  1136.84   59.489  1133.49   59.800 3.353149 84.34972 
1 1 1   -9   17    7 o  471.389   79.534   1.0971   0.3327   1.7492   0.6945   0.9029   0.3790  568.370  134.825  419.516   99.664 148.8539 167.6627 
1 1 1   -9   17    8 o  616.504   58.029   1.8116   0.3253   1.2391   0.4398   2.5035   0.4834  491.511  100.627  718.216   74.222 -226.7050 125.0387 
1 1 1   -9   17    9 o  1148.16   47.497   6.1850   0.5018   5.7695   0.6996   6.6253   0.7202  1094.76   69.813  1175.53   66.855 -80.77393 96.66159 
1 1 1   -9   17   10 o  779.561   69.051   2.9369   0.4902   2.7542   0.5578   3.5560   1.0271  747.234   82.505  799.735  144.912 -52.50134 166.7525 
1 1 1   -9   17   11 o  588.265   68.475   1.6797   0.3637   1.4748   0.5371   1.8533   0.4943  527.708  113.945  606.688   91.382 -78.97980 146.0619 
1 1 1   -9   17   12 o  476.466   80.553   1.1303   0.3406   2.4389   0.5712   0.4084   0.4242  697.898   91.120  304.128  113.262 393.7702 145.3659 
1 1 1   -9   17   13 o  408.691   88.522   0.8481   0.3233   1.5383   0.5718   0.5238   0.3919  537.729  118.735  325.464  110.071 212.2654 161.9059 
1 1 1   -9   17   14 o  313.978  100.981   0.4902   0.3312   0.4339   0.5139   0.5302   0.4332  321.961  123.585  330.903  115.584 -8.941895 169.2126 
1 1 1   -9   17   15 o  657.216   68.045   2.0778   0.4055   1.1375   0.6166   2.7945   0.5383  458.289  136.231  758.110   78.299 -299.8220 157.1294 
1 1 1   -9   17   16 o  424.074  109.726   0.9285   0.4314   1.5300   1.0305   0.8007   0.4751  520.121  178.469  394.107  120.128 126.0138 215.1317 
1 1 1   -9   17   17 o  799.985   77.003   3.0794   0.5598   4.0375   1.3723   2.8881   0.6132  842.193  182.366  769.339   88.211 72.85406 202.5792 
1 1 1   -9   17   18 o  265.826  107.519   0.1890   0.4077   0.8199   0.8194  -0.0185   0.4700  418.756  157.123  250.262  108.968 168.4942 191.2116 
1 1 1   -9   17   19 o  590.604  120.567   1.8105   0.6331  -0.0869   1.2742   2.4323   0.7294  381.399  171.912  687.419  119.668 -306.0192 209.4619 
1 1 1   -9   17   20 o  572.013   95.425   1.6436   0.4846   2.5970   0.8252   1.1418   0.5987  697.589  133.416  460.204  133.536 237.3853 188.7633 
1 1 1   -9   17   21 o  563.994  133.320   1.7520   0.6810   2.0912   0.8074   0.9158   1.2675  607.923  146.138  442.033  185.235 165.8904 235.9411 
1 1 1   -9   17   22 o  411.224  117.848   0.9281   0.4689   1.2334   0.6620   0.6207   0.6642  460.029  142.081  358.602  139.715 101.4270 199.2665 
1 1 1   -9   17   23 o  323.543  119.503   0.5330   0.4704   0.2919   0.6668   0.7719   0.6636  309.607  132.230  373.069  141.091 -63.46161 193.3685 
1 1 1   -9   19    1 o  1172.89   41.458   6.4279   0.4474   6.4989   0.6176   6.3495   0.6491  1171.19   57.311  1153.76   61.360 17.42676 83.96159 
1 1 1   -9   19    2 o  240.325   83.085   0.2629   0.2236   0.2323   0.2940   0.3049   0.3442  245.917   93.695  271.237  101.818 -25.32047 138.3677 
1 1 1   -9   19    3 o  706.723   49.698   2.3596   0.3211   2.6629   0.4527   2.0525   0.4556  743.344   66.907  646.535   78.162 96.80908 102.8875 
1 1 1   -9   19    4 o  381.799   73.078   0.7235   0.2474   0.9111   0.3433   0.5209   0.3568  422.452   91.006  321.926  104.913 100.5262 138.8842 
1 1 1   -9   19    5 o  392.458   76.101   0.7684   0.2649   0.6778   0.3839   0.8508   0.3660  360.366  107.571  404.575   99.101 -44.20941 146.2617 
1 1 1   -9   19    6 o  817.935   61.547   3.2050   0.4598   2.2806   0.8818   3.5502   0.5389  626.501  154.038  856.862   68.933 -230.3608 168.7585 
1 1 1   -9   19    7 o  1120.38   55.313   5.9478   0.5702   5.8721   1.1141   5.9747   0.6638  1058.08  116.357  1115.15   64.969 -57.06970 133.2663 
1 1 1   -9   19    8 o  914.742   50.895   3.9599   0.4267   4.5231   0.6196   3.4520   0.5884  966.004   70.189  838.897   77.094 127.1067 104.2592 
1 1 1   -9   19    9 o  231.252   98.954   0.0534   0.3747  -0.1803   0.4147   1.0917   0.8741  211.753   96.483  439.321  162.783 -227.5678 189.2286 
1 1 1   -9   19   10 o  537.260   77.393   1.4286   0.3716   0.8907   0.5185   1.9962   0.5327  404.918  125.863  626.256   95.459 -221.3374 157.9683 
1 1 1   -9   19   11 o  345.451   97.128   0.6170   0.3216   1.1143   0.4893   0.2387   0.4268  455.411  116.346  273.059  110.161 182.3523 160.2243 
1 1 1   -9   19   12 o  559.427   80.412   1.5499   0.4020   1.6812   0.5946   1.4394   0.5457  561.375  118.814  519.475  116.971 41.90033 166.7303 
1 1 1   -9   19   13 o  557.300   78.574   1.5300   0.3918   2.8012   0.6464   0.7921   0.4925  745.990   96.430  387.555  122.977 358.4350 156.2754 
1 1 1   -9   19   14 o  652.837   70.608   2.0596   0.4174   1.9177   0.6449   2.1619   0.5476  603.754  120.302  657.989   93.033 -54.23407 152.0778 
1 1 1   -9   19   15 o  359.302  105.714   0.6572   0.3729   1.4381   0.6177   0.2094   0.4677  519.184  129.680  280.396  114.510 238.7884 173.0016 
1 1 1   -9   19   16 o  1229.15   54.141   7.0873   0.6123   8.6464   1.0458   6.2739   0.7554  1336.25   85.500  1146.02   71.999 190.2367 111.7768 
1 1 1   -9   19   17 o  356.869  112.959   0.6383   0.4157   0.9093   0.7921   0.5352   0.4884  427.450  155.517  341.043  122.384 86.40729 197.8973 
1 1 1   -9   19   18 o  636.872  126.193   2.1308   0.7134   0.0000   0.0000   2.1308   0.7134  ?   ?   636.872  126.193 0.000000 126.1934 
1 1 1   -9   19   19 o  329.526  116.103   0.5187   0.4376   0.9598   0.8096   0.3366   0.5201  428.801  157.039  307.796  122.490 121.0058 199.1608 
1 1 1   -9   19   20 o  1007.93   68.643   4.9027   0.6329   4.4228   0.9786   5.2477   0.8297  916.305  118.871  1027.34   88.632 -111.0388 148.2769 
1 1 1   -9   19   21 o  446.092  182.051   1.1862   1.1811   0.0000   0.0000   1.1862   1.1811  ?   ?   446.092  182.051 0.000000 182.0512 
1 1 1   -9   19   22 o  311.325  133.305   0.3028   0.6808   0.0000   0.0000   0.3028   0.6808  ?   ?   311.325  133.305 0.000000 133.3055 
1 1 1   -9   21    1 o  595.794   64.271   1.7276   0.3468   2.3213   0.4697   1.0164   0.5141  684.631   75.838  426.064  123.775 258.5671 145.1607 
1 1 1   -9   21    2 o  355.931   84.950   0.6529   0.2744   0.5343   0.3559   0.8265   0.4307  321.328  104.790  389.796  113.310 -68.46851 154.3376 
1 1 1   -9   21    3 f  565.830   64.386   1.5583   0.3293   1.7547   0.4408   1.3104   0.4953  590.480   83.450  492.469  111.841 98.01047 139.5430 
1 1 1   -9   21    4 o  363.755   86.551   0.6828   0.2855   0.8221   0.3892   0.5205   0.4201  391.875  105.561  322.104  113.728 69.77060 155.1681 
1 1 1   -9   21    5 f  504.434   87.250   1.2961   0.3903   1.6491   0.8735   1.2080   0.4363  514.425  163.834  478.394  102.218 36.03152 193.1065 
1 1 1   -9   21    6 o  738.651   59.255   2.6211   0.3994   3.0916   0.5864   2.2142   0.5454  787.931   82.082  659.035   92.482 128.8963 123.6542 
1 1 1   -9   21    7 o  495.850   74.324   1.2196   0.3287   1.7067   0.4814   0.7944   0.4498  576.932   93.918  383.101  116.911 193.8313 149.9627 
1 1 1   -9   21    8 o  845.890   79.831   3.5376   0.6140   3.6533   0.7494   3.3011   1.0710  845.225   98.186  743.637  161.173 101.5883 188.7251 
1 1 1   -9   21    9 o  360.694  110.785   0.6882   0.4031   0.4973   0.4511   1.4446   0.8979  321.838  117.321  486.857  166.596 -165.0190 203.7610 
1 1 1   -9   21   10 o  416.070   95.565   0.8978   0.3582   0.7982   0.5071   0.9969   0.5060  385.479  125.046  427.262  122.416 -41.78253 174.9923 
1 1 1   -9   21   11 o  332.043  103.958   0.5658   0.3530   0.5418   0.5389   0.5838   0.4673  340.128  127.456  341.822  120.011 -1.694641 175.0649 
1 1 1   -9   21   12 o  372.220  101.579   0.7195   0.3576   0.7598   0.5097   0.6805   0.5019  380.699  125.460  364.615  124.558 16.08408 176.7905 
1 1 1   -9   21   13 o  680.381   72.103   2.2411   0.4445   2.7039   0.6617   1.8605   0.6001  731.767  100.960  598.234  113.165 133.5331 151.6550 
1 1 1   -9   21   14 o  320.098  110.906   0.4856   0.3984   0.5928   0.6177   0.4092   0.5214  362.677  136.351  321.255  124.170 41.42215 184.4178 
1 1 1   -9   21   15 o  255.014  105.016   0.1458   0.3975  -0.0616   0.6369   0.2782   0.5087  281.672  124.593  298.922  120.384 -17.24973 173.2511 
1 1 1   -9   21   16 o  891.710   63.636   3.7838   0.5187   3.3364   0.7951   4.1154   0.6845  811.601  109.236  920.532   81.653 -108.9316 136.3809 
1 1 1   -9   21   17 o  623.883   91.703   1.9404   0.5107   1.4108   0.9073   2.1860   0.6179  497.590  167.483  654.761  106.202 -157.1707 198.3166 
1 1 1   -9   21   18 o  1624.88   85.561   12.960   1.2748   0.0000   0.0000   12.960   1.2748  ?   ?   1624.88   85.561 0.000000 85.56075 
1 1 1   -9   21   19 o  199.855   94.106  -0.3867   0.4465  -0.5584   0.6968  -0.2670   0.5815  246.033  116.371  244.009  112.324 2.023987 161.7371 
1 1 1   -9   21   20 o  344.125  135.960   0.5627   0.6366   0.6168   0.7678   0.4437   1.1384  361.603  147.087  374.212  165.997 -12.60825 221.7869 
1 1 1   -9   21   21 o  231.412  104.902  -0.1032   0.4824  -0.1168   0.7662  -0.0943   0.6208  281.511  129.344  259.813  118.252 21.69760 175.2527 
1 1 1   -9   23    1 o  553.682   80.584   1.5479   0.3985   1.2598   0.5952   1.7820   0.5365  465.240  132.589  578.335  104.676 -113.0950 168.9294 
1 1 1   -9   23    2 o  443.664   85.797   1.0127   0.3376   1.4891   0.4607   0.4602   0.4962  532.806   97.557  315.116  121.314 217.6897 155.6744 
1 1 1   -9   23    3 o  517.500   80.488   1.3517   0.3708   1.5331   0.4705   1.0541   0.6025  540.875   98.149  426.319  136.097 114.5561 167.7960 
1 1 1   -9   23    4 o  423.776  113.804   0.9862   0.4532   0.4712   1.0112   1.1156   0.5069  368.586  160.165  447.105  120.488 -78.51910 200.4249 
1 1 1   -9   23    5 o  309.518   98.504   0.4940   0.3158   0.8755   0.4452   0.1073   0.4481  399.631  114.915  253.902  108.418 145.7293 157.9872 
1 1 1   -9   23    6 o  474.405   86.190   1.1488   0.3624   1.4244   0.5153   0.8792   0.5097  513.482  112.206  398.016  124.959 115.4653 167.9430 
1 1 1   -9   23    7 o  518.824   97.677   1.4001   0.4492   1.3453   0.5083   1.5956   0.9600  498.797  113.320  500.755  172.227 -1.958099 206.1640 
1 1 1   -9   23    8 o  575.863   97.146   1.7109   0.4964   1.7615   0.5656   1.5408   1.0364  575.550  110.810  492.485  178.085 83.06485 209.7448 
1 1 1   -9   23    9 o  688.240   65.679   2.2929   0.4109   2.5238   0.6136   2.1051   0.5533  702.618   97.539  641.387   96.751 61.23102 137.3847 
1 1 1   -9   23   10 o  561.351   78.250   1.5584   0.3932   1.4607   0.5516   1.6593   0.5606  521.677  117.716  560.141  112.669 -38.46399 162.9455 
1 1 1   -9   23   11 o  813.855   65.252   3.1801   0.4846   3.8277   0.7127   2.6235   0.6607  877.933   89.476  716.899  103.132 161.0338 136.5363 
1 1 1   -9   23   12 o  634.070   88.064   1.9957   0.4999   2.7303   0.8109   1.5453   0.6350  717.508  127.500  534.521  130.282 182.9875 182.2896 
1 1 1   -9   23   13 o  343.761  114.455   0.5881   0.4238   0.7197   0.6420   0.4865   0.5641  383.819  139.954  338.490  129.589 45.32959 190.7365 
1 1 1   -9   23   14 o  563.081   95.309   1.5953   0.4762   1.1031   0.6891   2.0452   0.6589  450.427  145.732  625.721  118.776 -175.2937 188.0046 
1 1 1   -9   23   15 o  776.896   79.125   2.9435   0.5577   2.6828   0.8504   3.1402   0.7389  704.678  136.077  786.811  104.647 -82.13287 171.6628 
1 1 1   -9   23   16 o  633.735   94.221   2.0244   0.5327   1.3068   0.8111   2.5690   0.7065  477.368  158.310  702.722  113.096 -225.3542 194.5578 
1 1 1   -9   23   17 o  352.340  133.192   0.5946   0.5912  -0.4587   1.2749   0.8832   0.6673  342.133  160.441  403.496  143.240 -61.36334 215.0791 
1 1 1   -9   23   18 o  531.686  104.100   1.4977   0.4911   1.7988   0.7558   1.2778   0.6460  549.837  146.682  467.421  139.546 82.41599 202.4568 
1 1 1   -9   23   19 o  249.769  115.801  -0.2591   0.6344  -2.7105   1.2643   0.5659   0.7335  246.538  123.993  347.490  142.824 -100.9521 189.1372 
1 1 1   -9   23   20 f  499.671  133.763   1.5301   0.6272   1.6196   0.8261   1.4084   0.9637  484.424  159.733  442.455  169.379 41.96893 232.8168 
1 1 1   -9   25    1 o  284.234  124.266   0.1159   0.6168  -0.0147   0.8823   0.2407   0.8625  311.147  141.369  329.969  145.519 -18.82178 202.8820 
1 1 1   -9   25    2 o  440.437  121.108   1.0934   0.5061   0.5088   0.8831   1.3793   0.6176  358.279  152.574  486.232  133.820 -127.9536 202.9448 
1 1 1   -9   25    3 f  629.734  100.007   2.0778   0.5601   1.0305   1.0666   2.4767   0.6582  422.755  172.817  681.378  108.627 -258.6221 204.1216 
1 1 1   -9   25    4 o  891.080   58.660   3.8169   0.4783   4.1198   0.6508   3.4610   0.7053  910.940   78.401  820.546   95.182 90.39325 123.3139 
1 1 1   -9   25    5 o  540.502   77.706   1.4602   0.3754   1.3711   0.4954   1.5802   0.5751  504.557  109.828  535.660  119.696 -31.10318 162.4477 
1 1 1   -9   25    6 o  746.221   75.723   2.7468   0.5127   3.0258   0.5803   1.7528   1.0953  778.970   82.194  513.916  183.399 265.0539 200.9748 
1 1 1   -9   25    7 o  272.131  104.025   0.3047   0.3632   0.7583   0.4898  -0.2493   0.5413  375.541  122.954  236.120  108.570 139.4214 164.0280 
1 1 1   -9   25    8 o  314.237  107.670   0.4895   0.3750   0.4679   0.5408   0.5095   0.5206  326.945  126.434  331.646  125.072 -4.700958 177.8447 
1 1 1   -9   25    9 o  417.428  104.423   0.9141   0.4001   1.5059   0.6274   0.5085   0.5194  522.828  130.755  333.058  125.067 189.7707 180.9379 
1 1 1   -9   25   10 o  380.542  105.711   0.7557   0.3834   1.0439   0.5468   0.4770   0.5377  438.649  127.724  331.113  126.574 107.5361 179.8176 
1 1 1   -9   25   11 o  252.139  101.122   0.1929   0.3573  -0.0254   0.5002   0.4204   0.5106  253.194  111.270  318.850  122.976 -65.65529 165.8438 
1 1 1   -9   25   12 o  418.821  110.368   0.9224   0.4313   0.7006   0.6043   1.1528   0.6158  375.400  135.948  458.111  136.132 -82.71112 192.3896 
1 1 1   -9   25   13 o  870.244   70.284   3.6566   0.5580   4.7290   0.8605   2.8784   0.7330  970.065   97.734  746.682  109.983 223.3840 147.1335 
1 1 1   -9   25   14 o  438.817  122.086   1.0446   0.5110   0.0353   0.7322   2.0028   0.7134  303.276  133.897  603.760  132.083 -300.4839 188.0805 
1 1 1   -9   25   15 o  183.341   88.857  -0.6657   0.4645  -0.4158   0.6875  -0.8754   0.6299  254.264  118.779  211.741  102.819 42.52304 157.0993 
1 1 1   -9   25   16 o  285.437  117.238   0.2679   0.4938   0.6331   0.7555  -0.0044   0.6524  365.118  146.827  280.024  124.854 85.09445 192.7350 
1 1 1   -9   25   17 o  433.367  140.895   1.1359   0.6436  -1.0667   1.3926   1.7342   0.7258  312.451  151.989  532.572  144.446 -220.1215 209.6789 
1 1 1   -9   25   18 o  355.127  127.268   0.7268   0.5280   1.0276   0.7516   0.4338   0.7418  401.173  150.489  325.930  139.346 75.24240 205.0954 
1 1 1   -9   25   19 o  464.845  140.050   1.4105   0.6485   1.3713   0.8159   1.4778   1.0685  436.939  158.008  432.286  174.339 4.653137 235.2884 
1 1 1   -9   27    1 o  335.321  114.191   0.5871   0.4218   0.6545   0.5686   0.5045   0.6291  355.571  131.377  337.149  134.541 18.42249 188.0459 
1 1 1   -9   27    2 o  453.409  105.350   1.0995   0.4311   1.1812   0.5526   0.9724   0.6893  457.571  126.837  412.389  145.672 45.18185 193.1527 
1 1 1   -9   27    3 o  1104.73   64.913   5.8955   0.6570   5.8808   0.9230   5.9105   0.9353  1075.79   94.192  1077.30   95.333 -1.506592 134.0172 
1 1 1   -9   27    4 o  382.270  125.381   0.7946   0.5093   0.6197   0.5692   1.4955   1.1398  352.257  131.196  483.657  184.428 -131.4006 226.3312 
1 1 1   -9   27    5 o  562.862  102.937   1.6522   0.5135   1.4473   0.5631   2.6635   1.2508  514.770  120.938  625.763  195.642 -110.9931 230.0039 
1 1 1   -9   27    6 o  219.327   97.650  -0.0753   0.3975   0.0877   0.4311  -1.0014   1.0277  249.746  106.486  280.434  134.982 -30.68796 171.9284 
1 1 1   -9   27    7 o  624.852   81.939   1.9391   0.4598   1.7249   0.6233   2.1949   0.6810  563.667  123.571  640.530  119.951 -76.86304 172.2151 
1 1 1   -9   27    8 o  212.353   94.496  -0.0772   0.3717  -0.1910   0.5109   0.0508   0.5419  236.018  107.367  269.563  117.189 -33.54442 158.9366 
1 1 1   -9   27    9 o  224.736   97.301   0.0140   0.3705   0.2837   0.5350  -0.2346   0.5136  299.049  122.340  232.412  106.455 66.63693 162.1723 
1 1 1   -9   27   10 o  146.414   72.509  -0.7896   0.3652  -0.9459   0.4907  -0.5956   0.5468  174.068   85.801  210.508  100.559 -36.44098 132.1890 
1 1 1   -9   27   11 o  493.421  102.583   1.2720   0.4506   1.2421   0.6195   1.3056   0.6565  469.449  135.733  478.804  140.095 -9.355286 195.0645 
1 1 1   -9   27   12 o  351.125  115.877   0.6468   0.4347   1.6679   0.6646  -0.1168   0.5747  543.900  133.733  256.330  115.504 287.5695 176.7082 
1 1 1   -9   27   13 o  710.624   90.675   2.5689   0.5794   2.0675   0.9022   2.9208   0.7559  575.773  162.955  738.231  115.018 -162.4579 199.4580 
1 1 1   -9   27   14 o  275.147  116.228   0.1945   0.5055   1.5956   0.8722  -0.5143   0.6204  496.189  164.151  229.372  108.872 266.8176 196.9744 
1 1 1   -9   27   15 f  566.415  114.352   1.7863   0.5755   2.5225   0.8234   1.0831   0.8046  646.215  142.317  415.188  155.713 231.0262 210.9515 
1 1 1   -9   27   16 o  286.747  126.009   0.1850   0.6414  -0.0781   1.4248   0.2519   0.7183  343.195  163.495  303.001  133.246 40.19403 210.9153 
1 1 1   -9   27   17 o  284.875  122.082   0.2903   0.5718   1.4167   0.8338  -0.7100   0.7857  438.205  159.537  238.285  115.507 199.9206 196.9616 
1 1 1   -9   27   18 o  331.224  162.340  -0.2264   1.6777   0.0000   0.0000  -0.2264   1.6777  ?   ?   331.224  162.340 0.000000 162.3401 
1 1 1   -9   29    1 o  202.010   94.989  -0.3661   0.4521  -0.7331   0.5973   0.1261   0.6917  211.264  101.996  299.978  131.360 -88.71381 166.3089 
1 1 1   -9   29    2 o  330.512  122.050   0.5380   0.4906   0.6658   0.5363  -0.1175   1.2141  356.717  128.221  348.118  160.973 8.598389 205.7989 
1 1 1   -9   29    3 f  319.620  120.253   0.4808   0.4806   0.3105   0.5191   1.5031   1.2718  296.714  120.845  479.930  191.365 -183.2161 226.3269 
1 1 1   -9   29    4 o  833.532   74.180   3.4128   0.5630   3.5989   0.7285   3.1368   0.8872  838.761   96.124  749.519  133.530 89.24249 164.5298 
1 1 1   -9   29    5 f  739.783   77.161   2.7059   0.5175   2.8151   0.6753   2.5506   0.8056  736.190  102.465  673.466  134.706 62.72418 169.2476 
1 1 1   -9   29    6 o  305.132  110.993   0.4445   0.4035   0.5870   0.5148   0.2178   0.6496  342.011  125.229  304.807  130.357 37.20444 180.7625 
1 1 1   -9   29    7 o  330.077  116.382   0.5529   0.4398   0.5525   0.5704   0.5535   0.6906  340.261  130.298  351.263  140.689 -11.00113 191.7573 
1 1 1   -9   29    8 o  664.771   84.531   2.2244   0.5054   2.2627   0.6570   2.1689   0.7909  648.945  114.203  609.985  143.329 38.96021 183.2631 
1 1 1   -9   29    9 o  1077.62   65.276   5.6289   0.6442   4.8128   0.8551   6.7002   0.9797  966.701   97.459  1146.11   93.714 -179.4097 135.2056 
1 1 1   -9   29   11 o  882.739  111.312   4.2097   0.8841   3.9249   1.0202   5.0684   1.7714  818.379  140.537  774.675  231.038 43.70441 270.4244 
1 1 1   -9   29   12 o  228.072  106.692  -0.3182   0.5580  -0.2642   0.5992  -0.6700   1.5298  241.046  112.028  335.323  162.211 -94.27704 197.1357 
1 1 1   -9   29   13 o  543.493  111.173   1.6622   0.5372   1.8596   0.7621   1.4673   0.7574  534.293  149.263  467.653  152.886 66.64023 213.6667 
1 1 1   -9   29   14 o  342.482  123.638   0.6913   0.4993   0.1428   0.6735   1.3602   0.7438  282.540  126.352  441.761  151.617 -159.2212 197.3643 
1 1 1   -9   29   15 o  218.043  104.544  -0.4746   0.6030  -0.2129   1.5734  -0.5197   0.6528  327.772  159.906  224.277  107.858 103.4946 192.8820 
1 1 1   -9   29   16 o  414.345  140.371   1.2182   0.6374   1.1666   0.8410   1.2880   0.9770  386.875  155.146  392.692  163.433 -5.816589 225.3456 
1 1 1   -9   31    1 o  674.632  135.001   2.6823   0.8088   3.4077   0.9795   1.1283   1.4337  746.547  147.824  423.160  187.067 323.3869 238.4239 
1 1 1   -9   31    2 o  738.214   89.851   2.8209   0.5978   2.4122   0.7541   3.5118   0.9804  642.961  131.888  763.021  144.942 -120.0601 195.9663 
1 1 1   -9   31    3 o  278.173  114.463   0.2738   0.4717  -0.2139   0.5988   1.0719   0.7660  245.897  113.474  414.863  152.626 -168.9666 190.1866 
1 1 1   -9   31    4 o  187.043   88.837  -0.3925   0.4143  -0.3015   0.5006  -0.5904   0.7384  217.089  101.391  244.988  116.983 -27.89897 154.8065 
1 1 1   -9   31    5 o  270.718  113.377   0.2226   0.4744   0.7032   0.6058  -0.5395   0.7628  357.062  134.858  252.134  119.981 104.9278 180.5056 
1 1 1   -9   31    6 o  507.307  121.710   1.4820   0.5609   1.2536   0.7383   1.7938   0.8626  441.944  151.064  515.451  162.663 -73.50797 221.9896 
1 1 1   -9   31    7 o  647.480  101.590   2.2575   0.5853   2.7455   0.8044   1.7084   0.8533  681.822  132.998  499.980  162.216 181.8419 209.7677 
1 1 1   -9   31    8 o  204.772   97.434  -0.4354   0.5028  -0.9004   0.6849   0.1084   0.7406  214.940  105.001  293.613  131.815 -78.67302 168.5242 
1 1 1   -9   31    9 f  498.718  122.633   1.4752   0.5588   1.5842   0.7738   1.3562   0.8080  481.401  154.293  441.474  157.521 39.92688 220.4978 
1 1 1   -9   31   10 o  342.231  126.493   0.6885   0.5272   0.8373   0.7248   0.5214   0.7682  365.903  144.912  329.947  141.451 35.95584 202.5038 
1 1 1   -9   31   11 o  345.793  124.291   0.7284   0.5039   1.0652   0.6971   0.3598   0.7293  393.409  145.447  305.901  134.396 87.50763 198.0333 
1 1 1   -9   31   12 o  355.993  130.605   0.8274   0.5603   0.5999   0.7349   1.1433   0.8661  325.285  138.870  385.924  156.498 -60.63892 209.2287 
1 1 1   -9   31   13 f  338.296  127.439   0.7488   0.5401   1.1165   0.7334   0.3131   0.7984  382.839  147.464  296.307  134.568 86.53210 199.6350 
1 1 1   -9   31   14 o  544.414  174.253   2.6491   0.9872   0.0000   0.0000   2.6491   0.9872  ?   ?   544.414  174.253 0.000000 174.2531 
1 1 1   -9   33    1 o  375.292  132.192   0.9318   0.5673   0.7280   0.7308   1.2408   0.8998  341.250  141.628  397.659  160.123 -56.40961 213.7702 
1 1 1   -9   33    2 o  509.625  131.227   1.6721   0.6191   1.5656   0.7958   1.8355   0.9853  453.829  156.764  463.184  172.588 -9.354279 233.1555 
1 1 1   -9   33    3 f  446.409  129.677   1.2918   0.5643   1.8415   0.7471   0.5616   0.8610  509.744  149.539  329.678  145.393 180.0663 208.5693 
1 1 1   -9   33    4 o  560.947  117.586   1.8934   0.5875   1.3947   0.7478   2.6978   0.9498  433.727  151.841  595.479  166.725 -161.7520 225.5061 
1 1 1   -9   33    5 o  767.103   93.842   3.2329   0.6486   3.5921   0.8811   2.8080   0.9583  754.699  131.661  607.238  166.512 147.4608 212.2757 
1 1 1   -9   33    6 f  245.778  110.919   0.0440   0.5324   0.6903   0.7064  -0.8057   0.8100  333.700  138.931  231.851  113.457 101.8489 179.3719 
1 1 1   -9   33    7 o  302.231  118.875   0.5241   0.4846   0.1734   0.5778   1.3555   0.8897  264.027  117.628  403.333  160.296 -139.3058 198.8243 
1 1 1   -9   33    8 o  291.813  119.393   0.4667   0.5096   0.4053   0.6361   0.5769   0.8516  291.897  126.935  319.313  142.490 -27.41666 190.8295 
1 1 1   -9   33    9 o  204.191   97.481  -0.3385   0.5121  -0.1112   0.6475  -0.7183   0.8371  243.338  114.182  233.740  114.584 9.597656 161.7621 
1 1 1   -9   33   10 f  251.189  111.735   0.1843   0.5193   0.3582   0.6620  -0.0936   0.8371  282.297  125.826  262.987  125.295 19.30978 177.5702 
1 1 1   -9   33   11 o  395.119  176.923   2.0522   1.3250   0.0854   1.8332   4.2039   1.9175  310.649  155.230  449.127  205.713 -138.4779 257.7093 
1 1 1   -9   35    1 o  335.100  136.068   0.9514   0.6557   0.7854   0.8402   1.2101   1.0487  309.463  139.530  334.768  152.879 -25.30453 206.9797 
1 1 1   -9   35    2 o  562.638  130.994   2.2806   0.6655   1.8401   0.8594   2.9406   1.0519  421.491  160.282  508.821  179.922 -87.33017 240.9612 
1 1 1   -9   35    3 o  342.346  135.738   0.9761   0.6366   1.8636   0.8205  -0.3658   1.0089  435.299  158.294  252.995  124.379 182.3044 201.3134 
1 1 1   -9   35    4 o  358.137  137.207   1.0820   0.6327   1.1448   0.7746   0.9563   1.0968  349.750  145.536  319.388  149.465 30.36267 208.6159 
1 1 1   -9   35    5 o  294.818  125.639   0.6080   0.5996  -0.3330   0.7266   2.6167   1.0616  228.285  110.754  464.007  177.737 -235.7220 209.4207 
1 1 1   -9   35    6 o  418.731  140.751   1.4750   0.6408   1.6788   0.8108   1.1361   1.0458  407.861  155.548  329.258  151.217 78.60373 216.9371 
1 1 1   -9   35    7 o  206.160  102.847  -0.9850   0.7903  -2.0221   1.7095  -0.7030   0.8913  251.653  128.377  227.697  112.854 23.95695 170.9290 
1 1 1   -9   35    8 o  403.818  194.249   4.9523   2.1204   4.9523   2.1204   0.0000   0.0000  403.818  194.249  ?   ?  0.000000 194.2492 
1 1 1   -8    0    1 o  2615.20   36.844   31.514   0.8862   31.514   0.8862   31.514   0.8862  2615.20   36.844  2615.20   36.844 0.000000 0.000000 
1 1 1   -8    0    2 o  849.271   40.778   3.3451   0.3170   3.3451   0.3170   3.3451   0.3170  849.271   40.778  849.271   40.778 0.000000 0.000000 
1 1 1   -8    0    3 o  541.480   51.097   1.3871   0.2494   1.3871   0.2494   1.3871   0.2494  541.480   51.097  541.480   51.097 0.000000 0.000000 
1 1 1   -8    0    4 o  1801.80   42.398   14.982   0.7021   14.982   0.7021   14.982   0.7021  1801.80   42.398  1801.80   42.398 0.000000 0.000000 
1 1 1   -8    0    5 o  283.312  101.614   0.4910   0.2422   0.4910   0.2422   0.4910   0.2422  283.312  101.614  283.312  101.614 -0.000000 0.000000 
1 1 1   -8    0    6 o  659.137   58.874   2.0517   0.3505   2.0517   0.3505   2.0517   0.3505  659.137   58.874  659.137   58.874 0.000000 0.000000 
1 1 1   -8    0    7 o  6529.31   37.775  196.363   2.2694  196.363   2.2694  196.363   2.2694  6529.31   37.775  6529.31   37.775 0.000000 0.000000 
1 1 1   -8    0    8 o  1383.49   42.896   8.8415   0.5449   8.8415   0.5449   8.8415   0.5449  1383.49   42.896  1383.49   42.896 0.000000 0.000000 
1 1 1   -8    0    9 o  734.035   45.807   2.5109   0.3066   2.5109   0.3066   2.5109   0.3066  734.035   45.807  734.035   45.807 0.000000 0.000000 
1 1 1   -8    0   10 o  261.862  122.105   0.4654   0.3276   0.4654   0.3276   0.4654   0.3276  261.862  122.105  261.862  122.105 0.000000 0.000000 
1 1 1   -8    0   11 o  443.486   72.716   0.9794   0.2728   0.9794   0.2728   0.9794   0.2728  443.486   72.716  443.486   72.716 0.000000 0.000000 
1 1 1   -8    0   12 o  1284.10   63.198   7.6945   0.7426   7.6945   0.7426   7.6945   0.7426  1284.10   63.198  1284.10   63.198 0.000000 0.000000 
1 1 1   -8    0   13 o  2133.59   42.566   21.063   0.8349   21.063   0.8349   21.063   0.8349  2133.59   42.566  2133.59   42.566 0.000000 0.000000 
1 1 1   -8    0   14 o  110.467   76.457  -0.2093   0.2661  -0.2093   0.2661  -0.2093   0.2661  110.467   76.457  110.467   76.457 -0.000000 0.000000 
1 1 1   -8    0   15 o  1541.37   47.528   11.060   0.6726   11.060   0.6726   11.060   0.6726  1541.37   47.528  1541.37   47.528 -0.000000 0.000000 
1 1 1   -8    0   16 o  562.921   78.440   1.5772   0.3837   1.5772   0.3837   1.5772   0.3837  562.921   78.440  562.921   78.440 -0.000000 0.000000 
1 1 1   -8    0   17 o  128.048   87.558  -0.1831   0.3251  -0.1831   0.3251  -0.1831   0.3251  128.048   87.558  128.048   87.558 0.000000 0.000000 
1 1 1   -8    0   18 o  287.286  130.327   0.5863   0.3721   0.5863   0.3721   0.5863   0.3721  287.286  130.327  287.286  130.327 0.000000 0.000000 
1 1 1   -8    0   19 o  545.041   98.720   1.5428   0.4469   1.5428   0.4469   1.5428   0.4469  545.041   98.720  545.041   98.720 0.000000 0.000000 
1 1 1   -8    0   20 o  513.820  109.876   1.4145   0.4563   1.4145   0.4563   1.4145   0.4563  513.820  109.876  513.820  109.876 0.000000 0.000000 
1 1 1   -8    0   21 o  689.155  145.059   2.5841   0.8098   2.5841   0.8098   2.5841   0.8098  689.155  145.059  689.155  145.059 0.000000 0.000000 
1 1 1   -8    0   22 o  651.654   96.362   2.1374   0.5407   2.1374   0.5407   2.1374   0.5407  651.654   96.362  651.654   96.362 0.000000 0.000000 
1 1 1   -8    0   23 o  338.536  172.793   0.8783   0.6786   0.8783   0.6786   0.8783   0.6786  338.536  172.793  338.536  172.793 0.000000 0.000000 
1 1 1   -8    0   24 o  1156.64   76.877   6.4228   0.8099   6.4228   0.8099   6.4228   0.8099  1156.64   76.877  1156.64   76.877 0.000000 0.000000 
1 1 1   -8    0   25 o  203.110  130.818   0.1120   0.5638   0.1120   0.5638   0.1120   0.5638  203.110  130.818  203.110  130.818 0.000000 0.000000 
1 1 1   -8    0   26 o  177.171  119.914  -0.1390   0.5778  -0.1390   0.5778  -0.1390   0.5778  177.171  119.914  177.171  119.914 0.000000 0.000000 
1 1 1   -8    2    1 o  3551.21   25.534   58.074   0.8344   59.025   1.2100   57.211   1.1521  3578.46   36.747  3523.25   35.536 55.20337 51.11926 
1 1 1   -8    2    2 o  1074.79   27.988   5.3205   0.2768   5.1801   0.3915   5.4608   0.3914  1059.90   40.143  1088.31   39.082 -28.40723 56.02611 
1 1 1   -8    2    3 o  1795.10   28.280   14.842   0.4671   14.671   0.6578   15.017   0.6635  1783.67   40.079  1804.60   39.956 -20.93262 56.59282 
1 1 1   -8    2    4 o  1671.57   30.076   12.873   0.4626   12.502   0.6479   13.258   0.6607  1646.22   42.772  1695.26   42.357 -49.04346 60.19592 
1 1 1   -8    2    5 o  1986.97   27.887   18.186   0.5099   19.310   0.8379   17.524   0.6425  2045.63   44.514  1949.76   35.812 95.86475 57.13137 
1 1 1   -8    2    6 o  324.266   49.098   0.4963   0.1419   0.4842   0.2064   0.5072   0.1954  316.976   72.358  325.018   67.555 -8.041687 98.99148 
1 1 1   -8    2    7 o  3006.71   27.045   41.631   0.7482   41.345   1.0537   41.921   1.0627  2995.02   38.234  3015.81   38.295 -20.79736 54.11430 
1 1 1   -8    2    8 o  1444.23   30.106   9.6057   0.4001   9.7725   0.5708   9.4447   0.5609  1456.00   42.605  1431.37   42.589 24.62708 60.24154 
1 1 1   -8    2    9 o  2402.81   29.880   26.588   0.6607   26.622   0.9325   26.554   0.9361  2403.20   42.170  2400.10   42.387 3.101563 59.79045 
1 1 1   -8    2   10 o  563.852   50.632   1.4794   0.2599   1.4511   0.3330   1.5235   0.4158  556.112   66.377  567.236   82.047 -11.12488 105.5352 
1 1 1   -8    2   11 o  1395.82   34.430   8.9849   0.4422   8.3503   0.5276   10.483   0.8106  1344.78   42.640  1504.35   58.561 -159.5682 72.44020 
1 1 1   -8    2   12 o  607.085   57.769   1.7279   0.3188   1.7756   0.4682   1.6866   0.4353  608.833   85.966  594.227   81.786 14.60657 118.6552 
1 1 1   -8    2   13 o  877.590   36.745   3.5632   0.2967   3.7343   0.4284   3.4054   0.4114  894.399   52.284  853.896   52.612 40.50262 74.17290 
1 1 1   -8    2   14 o  384.881   67.122   0.7165   0.2291   0.8924   0.3258   0.5447   0.3221  425.144   86.243  332.375   98.381 92.76926 130.8303 
1 1 1   -8    2   15 o  1774.47   33.098   14.588   0.5404   14.657   0.7665   14.519   0.7621  1772.46   46.999  1764.11   46.946 8.349243 66.42910 
1 1 1   -8    2   16 o  978.977   39.958   4.4595   0.3600   3.9012   0.4985   5.0676   0.5203  907.437   60.043  1037.16   54.709 -129.7271 81.22956 
1 1 1   -8    2   17 o  572.230   55.611   1.5536   0.2891   1.8418   0.4231   1.3011   0.3960  615.816   76.304  511.928   87.188 103.8878 115.8620 
1 1 1   -8    2   18 o  736.835   49.318   2.5512   0.3324   2.4281   0.4613   2.6842   0.4795  710.650   71.521  747.944   70.502 -37.29443 100.4286 
1 1 1   -8    2   19 o  231.310   89.659   0.1793   0.2725   0.1986   0.3668   0.1555   0.4070  257.864  102.781  259.633  106.514 -1.768066 148.0173 
1 1 1   -8    2   20 o  1775.38   39.797   14.635   0.6501   14.635   0.9189   14.636   0.9200  1767.18   56.507  1767.18   56.577 0.4882813E-02 79.96271 
1 1 1   -8    2   21 o  304.545  117.265   0.3364   0.4637   0.2685   0.6710   0.3985   0.6414  331.238  136.432  343.823  136.273 -12.58466 192.8312 
1 1 1   -8    2   22 o  491.499   83.246   1.1799   0.3631   0.9732   0.5113   1.3901   0.5156  436.116  122.411  524.627  110.299 -88.51123 164.7737 
1 1 1   -8    2   23 o  731.162   90.059   2.6093   0.5931   2.3335   0.8541   2.8660   0.8242  662.857  144.139  748.867  123.949 -86.00964 190.1035 
1 1 1   -8    2   24 o  759.520   65.141   2.7523   0.4509   2.8710   0.6501   2.6423   0.6258  761.233   94.872  729.563   95.511 31.67041 134.6215 
1 1 1   -8    2   25 o  367.387  109.670   0.7046   0.3990   0.2915   0.5789   1.0784   0.5507  308.504  126.855  444.969  127.772 -136.4647 180.0497 
1 1 1   -8    2   26 o  381.307  111.647   0.7852   0.4168   0.7629   0.6048   0.8054   0.5752  377.173  136.094  383.875  133.243 -6.702209 190.4602 
1 1 1   -8    4    1 o  2984.18   30.857   41.031   0.8473   40.120   0.9780   43.775   1.6969  2950.07   36.027  3076.15   59.950 -126.0786 69.94211 
1 1 1   -8    4    2 o  1690.80   27.796   13.168   0.4325   12.961   0.6029   13.388   0.6206  1676.50   39.083  1703.79   39.587 -27.28369 55.62917 
1 1 1   -8    4    3 o  1415.20   25.699   9.2238   0.3347   9.1943   0.5348   9.2428   0.4291  1411.81   41.164  1416.19   32.926 -4.380859 52.71241 
1 1 1   -8    4    4 o  1096.40   25.296   5.5361   0.2552   5.7344   0.3660   5.3486   0.3560  1115.32   35.666  1077.13   35.920 38.19189 50.61932 
1 1 1   -8    4    5 o  2493.60   24.953   28.635   0.5726   28.749   0.8109   28.522   0.8086  2497.39   35.286  2487.50   35.326 9.890625 49.93015 
1 1 1   -8    4    6 o  1348.66   27.566   8.3771   0.3421   7.6482   0.4688   9.2075   0.5004  1287.95   39.556  1413.23   38.477 -125.2827 55.18235 
1 1 1   -8    4    7 o  718.787   33.334   2.3801   0.2205   2.4301   0.3169   2.3332   0.3070  724.238   47.815  709.642   47.279 14.59625 67.24274 
1 1 1   -8    4    8 o  1813.84   29.242   15.151   0.4881   14.828   0.6840   15.485   0.6966  1793.60   41.443  1832.93   41.303 -39.32703 58.51015 
1 1 1   -8    4    9 o  776.055   40.497   2.7836   0.2882   2.4647   0.4527   3.0009   0.3737  726.809   68.496  804.861   50.718 -78.05261 85.22947 
1 1 1   -8    4   10 o  818.575   47.554   3.1038   0.3566   3.8409   0.5355   2.5163   0.4781  908.586   64.474  733.262   71.776 175.3246 96.48164 
1 1 1   -8    4   11 o  2010.03   30.741   18.629   0.5686   18.808   0.7575   18.397   0.8604  2018.03   40.796  1994.64   46.879 23.39136 62.14479 
1 1 1   -8    4   12 o  378.620   96.524   0.7060   0.3373   0.7782   0.4119   0.5590   0.5875  396.905  109.316  366.549  133.847 30.35599 172.8148 
1 1 1   -8    4   13 o  1215.69   35.467   6.8374   0.3968   7.1038   0.5305   6.4993   0.5977  1236.65   46.620  1180.66   55.014 55.98999 72.11018 
1 1 1   -8    4   14 o  955.805   40.263   4.2413   0.3541   4.7542   0.4850   3.6559   0.5182  1007.47   52.502  879.023   64.518 128.4515 83.18077 
1 1 1   -8    4   15 o  568.528   51.095   1.5244   0.2644   1.6620   0.3723   1.3842   0.3757  587.733   70.232  532.530   79.069 55.20288 105.7568 
1 1 1   -8    4   16 o  355.766   75.136   0.6269   0.2383   0.6913   0.3459   0.5688   0.3286  368.132   99.671  335.955   99.355 32.17694 140.7332 
1 1 1   -8    4   17 o  214.274   83.961   0.1445   0.2409   0.5099   0.3557  -0.1654   0.3275  322.215  104.739  189.152   86.014 133.0631 135.5310 
1 1 1   -8    4   18 o  896.539   45.263   3.7603   0.3722   4.0667   0.5392   3.4815   0.5144  925.065   63.734  854.643   65.922 70.42188 91.69367 
1 1 1   -8    4   19 o  1032.97   44.413   4.9727   0.4222   5.2613   0.6111   4.7093   0.5838  1053.86   63.316  996.540   64.006 57.32520 90.03115 
1 1 1   -8    4   20 o  1635.92   41.004   12.432   0.6172   12.484   0.8708   12.379   0.8751  1631.59   58.001  1624.38   58.544 7.210815 82.41077 
1 1 1   -8    4   21 o  249.108  105.735   0.0516   0.4216   0.3576   0.5956  -0.2557   0.5969  330.557  131.222  257.448  116.701 73.10919 175.6085 
1 1 1   -8    4   22 o  793.387   55.371   2.9571   0.4017   3.4542   0.5974   2.5470   0.5427  849.840   77.237  726.715   82.627 123.1248 113.1055 
1 1 1   -8    4   23 o  186.412   89.701  -0.6247   0.4531  -1.2731   0.6530  -0.0229   0.6292  201.429   99.228  286.612  125.402 -85.18364 159.9115 
1 1 1   -8    4   24 o  262.201  103.759   0.2223   0.3713  -0.6914   0.5091   1.2608   0.5427  196.400   94.652  488.758  121.257 -292.3577 153.8250 
1 1 1   -8    4   25 o  720.556   71.911   2.5247   0.4704   3.4018   0.7030   1.8135   0.6330  822.196   94.649  580.710  122.333 241.4861 154.6731 
1 1 1   -8    4   26 o  306.907  113.650   0.4459   0.4260   1.1426   0.6129  -0.2051   0.5924  444.745  136.602  249.935  114.428 194.8101 178.1962 
1 1 1   -8    6    1 o  356.442   77.604   0.6129   0.2473   1.0086   0.3624   0.2678   0.3384  457.625   89.258  272.085  101.187 185.5398 134.9294 
1 1 1   -8    6    2 o  1164.75   24.763   6.2479   0.2654   6.2266   0.3368   6.2827   0.4310  1162.41   31.492  1167.06   40.134 -4.648804 51.01451 
1 1 1   -8    6    3 o  771.163   25.385   2.7389   0.1801   2.6870   0.2559   2.7899   0.2536  763.409   36.423  777.936   35.434 -14.52643 50.81557 
1 1 1   -8    6    4 o  1670.79   24.444   12.855   0.3758   12.839   0.5334   12.870   0.5296  1669.03   34.729  1671.05   34.443 -2.019653 48.91250 
1 1 1   -8    6    5 o  1468.60   26.242   9.9325   0.3546   9.8300   0.5017   10.035   0.5013  1460.29   37.340  1475.45   36.924 -15.15979 52.51315 
1 1 1   -8    6    6 o  1185.48   28.729   6.4723   0.3134   6.5722   0.4457   6.3746   0.4408  1194.01   40.563  1175.91   40.734 18.09863 57.48605 
1 1 1   -8    6    7 o  2578.35   27.650   30.611   0.6560   31.745   0.9495   29.577   0.9074  2624.50   39.316  2533.34   38.926 91.16577 55.32578 
1 1 1   -8    6    8 o  1551.31   32.922   11.086   0.4699   9.8613   0.6964   12.109   0.6368  1461.83   51.775  1620.68   42.699 -158.8507 67.11053 
1 1 1   -8    6    9 o  3094.16   29.771   44.100   0.8476   43.970   1.1911   44.233   1.2065  3087.82   41.922  3096.96   42.337 -9.145020 59.58078 
1 1 1   -8    6   10 o  397.240   87.954   0.7650   0.3130   1.0394   0.5665   0.6444   0.3755  461.106  128.645  366.165  105.621 94.94168 166.4494 
1 1 1   -8    6   11 o  1078.10   40.413   5.3725   0.4009   5.6464   0.5295   5.0047   0.6137  1103.54   52.149  1034.83   64.771 68.71375 83.15540 
1 1 1   -8    6   12 o  238.862   89.736   0.2064   0.2674  -0.0194   0.3435   0.5543   0.4263  217.621   93.952  344.864  114.787 -127.2429 148.3341 
1 1 1   -8    6   13 o  1232.53   35.519   7.0334   0.4028   6.5583   0.5165   7.7709   0.6436  1187.30   47.279  1290.17   54.210 -102.8699 71.93057 
1 1 1   -8    6   14 o  1279.47   37.291   7.5961   0.4390   7.2849   0.5703   8.0489   0.6879  1248.92   49.625  1309.63   57.081 -60.71533 75.63661 
1 1 1   -8    6   15 o  306.721   84.705   0.4692   0.2470   0.5064   0.3121   0.4068   0.4038  319.142   97.394  304.719  111.005 14.42252 147.6746 
1 1 1   -8    6   16 o  1024.09   42.655   4.8905   0.4019   5.1066   0.5341   4.6084   0.6104  1040.04   56.016  981.962   67.971 58.07660 88.07861 
1 1 1   -8    6   17 o  256.573   92.849   0.2802   0.2818   0.3848   0.3645   0.1247   0.4444  294.053  105.705  262.240  109.769 31.81335 152.3901 
1 1 1   -8    6   18 o  570.243   59.061   1.5478   0.3054   1.1232   0.4203   2.0228   0.4446  470.094  100.223  646.108   76.246 -176.0134 125.9292 
1 1 1   -8    6   19 o  347.836   90.077   0.6071   0.2906   0.6822   0.4119   0.5327   0.4100  367.479  111.823  333.359  112.585 34.12030 158.6810 
1 1 1   -8    6   20 o  1291.88   44.189   7.7627   0.5253   7.9563   0.7544   7.5804   0.7318  1300.63   63.039  1269.71   62.639 30.91809 88.86805 
1 1 1   -8    6   21 o  819.097   64.973   3.1735   0.4857   3.6236   0.6896   2.7305   0.6841  866.257   87.727  744.306  102.619 121.9514 135.0062 
1 1 1   -8    6   22 o  554.974   76.252   1.4871   0.3791   1.5086   0.5421   1.4666   0.5304  545.555  111.741  538.102  110.810 7.453796 157.3688 
1 1 1   -8    6   23 o  327.984  121.229   0.4639   0.4842   0.5081   0.7088   0.4253   0.6630  364.241  143.609  346.767  138.201 17.47385 199.3067 
1 1 1   -8    6   24 o  513.125   89.677   1.3181   0.4080   1.4179   0.6017   1.2332   0.5551  513.881  127.786  480.384  124.547 33.49701 178.4407 
1 1 1   -8    6   25 o  565.733   90.901   1.6228   0.4572   1.8446   0.6699   1.4295   0.6254  578.654  129.101  505.408  132.768 73.24625 185.1873 
1 1 1   -8    6   26 o  661.407   80.775   2.1939   0.4814   1.9664   0.6531   2.4646   0.7123  594.708  123.397  670.881  119.772 -76.17279 171.9655 
1 1 1   -8    8    1 o  525.737   41.055   1.2826   0.1970   1.2946   0.2182   1.2298   0.4583  527.699   45.384  504.262  102.278 23.43726 111.8949 
1 1 1   -8    8    2 o  2942.36   27.684   39.877   0.7495   39.543   1.0620   40.208   1.0580  2928.33   39.412  2952.91   38.939 -24.57715 55.40352 
1 1 1   -8    8    3 o  1111.10   25.256   5.6850   0.2582   5.9010   0.3864   5.5107   0.3471  1131.42   37.114  1093.52   34.495 37.90491 50.66910 
1 1 1   -8    8    4 o  1094.83   28.732   5.5206   0.2895   5.6562   0.3938   5.3612   0.4269  1107.72   38.631  1078.19   43.034 29.52588 57.82988 
1 1 1   -8    8    5 o  1408.40   26.751   9.1339   0.3467   9.0381   0.4878   9.2317   0.4928  1400.40   37.857  1415.32   37.838 -14.92017 53.52427 
1 1 1   -8    8    6 o  947.527   30.683   4.1351   0.2675   4.0461   0.3763   4.2260   0.3804  936.763   43.651  957.394   43.183 -20.63068 61.40194 
1 1 1   -8    8    7 o  751.856   37.813   2.6117   0.2608   2.3804   0.3942   2.7917   0.3477  715.256   60.455  776.346   48.929 -61.09088 77.77395 
1 1 1   -8    8    8 o  1743.66   30.947   14.006   0.4965   13.261   0.7005   14.759   0.7039  1695.43   44.902  1788.82   42.764 -93.39307 62.00762 
1 1 1   -8    8    9 o  1380.46   40.965   8.7949   0.5204   8.2866   0.7324   9.3131   0.7395  1337.68   59.500  1418.55   56.652 -80.86475 82.15613 
1 1 1   -8    8   10 o  608.771   46.770   1.7250   0.2600   1.7914   0.3763   1.6643   0.3596  616.722   67.404  594.281   66.932 22.44189 94.99048 
1 1 1   -8    8   11 o  687.933   48.833   2.2074   0.3071   2.2023   0.4086   2.2140   0.4657  683.391   65.785  682.640   75.391 0.7514038 100.0572 
1 1 1   -8    8   12 o  353.326   91.010   0.6186   0.2977   0.2425   0.4052   1.0598   0.4388  277.218  108.808  459.553  105.944 -182.3351 151.8657 
1 1 1   -8    8   13 f  324.631   82.137   0.5227   0.2455   0.8212   0.3522   0.2405   0.3425  404.192   96.105  261.669  100.779 142.5231 139.2573 
1 1 1   -8    8   14 o  596.853   56.550   1.6886   0.3069   1.6391   0.4374   1.7367   0.4306  577.653   84.823  596.697   80.478 -19.04388 116.9257 
1 1 1   -8    8   15 o  217.663   85.429   0.1493   0.2498   0.2565   0.3379   0.0200   0.3709  261.823  100.278  227.917   98.013 33.90584 140.2221 
1 1 1   -8    8   16 o  677.961   52.667   2.1713   0.3260   2.3555   0.4429   1.9537   0.4815  699.638   69.731  629.743   85.284 69.89526 110.1623 
1 1 1   -8    8   17 o  734.919   53.394   2.5498   0.3586   2.3595   0.4625   2.8367   0.5679  699.159   72.962  762.638   82.228 -63.47937 109.9312 
1 1 1   -8    8   18 o  259.430   93.697   0.2868   0.2868   0.2281   0.3845   0.3603   0.4305  266.611  105.562  299.656  113.562 -33.04529 155.0473 
1 1 1   -8    8   19 o  499.553   75.356   1.2124   0.3356   1.3632   0.4525   1.0280   0.5004  521.703   97.848  445.145  119.614 76.55798 154.5365 
1 1 1   -8    8   20 o  908.293   70.860   3.9219   0.5875   4.4324   0.8753   3.5033   0.7927  950.411  101.667  842.450  104.496 107.9619 145.7929 
1 1 1   -8    8   21 o  574.319   74.348   1.5862   0.3837   2.0044   0.5323   1.1339   0.5536  639.482   93.195  468.431  125.778 171.0516 156.5422 
1 1 1   -8    8   22 o  957.982   55.695   4.3132   0.4888   4.0538   0.6540   4.6417   0.7358  919.343   78.047  982.028   82.187 -62.68494 113.3408 
1 1 1   -8    8   23 o  358.066  126.424   0.6128   0.5191   0.7990   0.7400   0.4324   0.7285  406.613  149.949  354.812  143.651 51.80121 207.6548 
1 1 1   -8    8   24 o  436.855  103.260   0.9917   0.4085   0.4579   0.5739   1.5398   0.5816  332.932  129.828  537.369  120.589 -204.4368 177.1919 
1 1 1   -8    8   25 o  229.252   99.264   0.0281   0.3857   0.4413   0.5417  -0.3968   0.5492  320.554  125.807  224.775  105.374 95.77849 164.1072 
1 1 1   -8    8   26 o  293.571  134.591  -0.1365   0.8235   0.0736   1.2747  -0.2870   1.0788  358.526  165.490  317.279  148.402 41.24695 222.2835 
1 1 1   -8   10    1 o  1293.38   28.474   7.7042   0.3389   7.6900   0.4794   7.7184   0.4791  1291.52   40.341  1293.91   40.236 -2.396606 56.97632 
1 1 1   -8   10    2 o  516.928   36.581   1.2376   0.1729   1.2440   0.2555   1.2322   0.2348  516.177   54.626  514.277   50.253 1.899597 74.22515 
1 1 1   -8   10    3 o  1850.27   30.313   15.768   0.5161   15.898   0.7452   15.649   0.7155  1856.76   43.615  1842.26   42.206 14.49951 60.69320 
1 1 1   -8   10    4 o  3399.70   27.323   53.224   0.8547   52.000   1.3454   54.052   1.1068  3358.08   43.542  3425.05   35.118 -66.97192 55.93896 
1 1 1   -8   10    5 o  2372.50   31.623   25.928   0.6903   26.607   1.3605   25.693   0.8011  2399.31   61.624  2361.18   36.874 38.12793 71.81390 
1 1 1   -8   10    6 o  720.398   40.819   2.4006   0.2695   2.6326   0.5277   2.3187   0.3134  749.563   77.629  707.177   48.459 42.38617 91.51238 
1 1 1   -8   10    7 o  1185.54   32.959   6.4774   0.3595   6.0933   0.5266   6.8127   0.4921  1148.61   49.827  1215.03   44.013 -66.42419 66.48196 
1 1 1   -8   10    8 o  773.812   38.940   2.7705   0.2764   2.8477   0.4090   2.7055   0.3749  782.047   57.238  762.713   53.764 19.33472 78.52888 
1 1 1   -8   10    9 o  1421.17   41.508   9.3375   0.5428   9.3260   0.7729   9.3486   0.7625  1416.74   59.288  1418.66   58.410 -1.923584 83.22697 
1 1 1   -8   10   10 o  590.395   51.227   1.6315   0.2755   1.5229   0.3617   1.7817   0.4254  565.759   71.036  610.856   77.419 -45.09674 105.0706 
1 1 1   -8   10   11 o  713.550   46.915   2.3766   0.3063   2.3115   0.4294   2.4440   0.4371  698.298   67.673  718.438   66.893 -20.13995 95.15365 
1 1 1   -8   10   12 o  295.996   97.360   0.4135   0.3070   0.3778   0.4150   0.4567   0.4563  302.902  112.172  324.387  118.029 -21.48495 162.8293 
1 1 1   -8   10   13 o  725.719   49.505   2.4742   0.3286   2.3733   0.4614   2.5782   0.4682  702.512   72.410  733.389   70.232 -30.87720 100.8755 
1 1 1   -8   10   14 f  533.349   62.970   1.3648   0.3031   0.9184   0.4060   1.9265   0.4554  421.691  105.035  627.414   80.761 -205.7232 132.4945 
1 1 1   -8   10   15 o  498.150   71.309   1.2082   0.3175   1.5806   0.4527   0.8474   0.4456  562.540   90.518  402.354  114.739 160.1866 146.1456 
1 1 1   -8   10   16 o  1294.36   43.428   7.8205   0.5172   8.1499   0.7373   7.5011   0.7259  1312.16   61.061  1257.89   62.712 54.27625 87.52819 
1 1 1   -8   10   17 o  953.347   44.889   4.2441   0.3938   4.2263   0.5249   4.2670   0.5955  943.793   60.765  944.237   69.023 -0.4443970 91.95905 
1 1 1   -8   10   18 o  1132.66   45.230   5.9854   0.4714   6.1033   0.6333   5.8389   0.7059  1135.93   60.810  1106.27   69.702 29.66638 92.50032 
1 1 1   -8   10   19 o  289.226  100.688   0.3771   0.3286   0.9154   0.4590  -0.1888   0.4706  422.229  115.021  230.740  104.195 191.4888 155.1981 
1 1 1   -8   10   20 o  298.312  114.579   0.3274   0.4419   0.6255   0.6745   0.1032   0.5850  380.290  142.577  293.178  124.499 87.11166 189.2830 
1 1 1   -8   10   21 o  452.517   95.896   1.0247   0.3869   0.5926   0.5019   1.6576   0.6074  355.931  124.407  568.357  119.913 -212.4254 172.7897 
1 1 1   -8   10   22 o  211.195   97.415  -0.2895   0.4405  -0.5508   0.5302   0.2931   0.7918  213.276  101.062  349.139  146.360 -135.8627 177.8619 
1 1 1   -8   10   23 o  271.385  110.493   0.2027   0.4338  -0.1514   0.5609   0.7298   0.6843  254.650  114.486  388.706  144.030 -134.0558 183.9884 
1 1 1   -8   10   24 o  708.605   79.711   2.4763   0.5107   2.7682   0.7128   2.1683   0.7321  729.287  109.613  628.771  130.797 100.5157 170.6537 
1 1 1   -8   10   25 o  346.751  119.364   0.6379   0.4612   0.3945   0.6210   0.9371   0.6886  320.394  131.523  404.602  145.306 -84.20789 195.9899 
1 1 1   -8   12    1 o  1651.13   43.118   12.576   0.6551   0.0000   0.0000   12.576   0.6551  ?   ?   1651.13   43.118 0.000000 43.11805 
1 1 1   -8   12    2 o  2200.94   42.499   22.343   0.8607   0.0000   0.0000   22.343   0.8607  ?   ?   2200.94   42.499 0.000000 42.49924 
1 1 1   -8   12    3 o  1151.81   36.439   6.1153   0.3862   6.3405   0.6258   5.9768   0.4908  1171.12   58.073  1137.99   46.871 33.13062 74.62826 
1 1 1   -8   12    4 o  1369.51   37.179   8.6472   0.4685   9.2381   0.7861   8.3216   0.5835  1413.11   60.457  1342.62   47.228 70.48706 76.71689 
1 1 1   -8   12    5 o  1513.70   34.704   10.564   0.4834   11.384   0.7127   9.8648   0.6578  1569.71   49.339  1461.26   48.922 108.4452 69.48196 
1 1 1   -8   12    6 o  247.458   76.175   0.2850   0.1905   0.2114   0.2795   0.3488   0.2602  244.837   91.785  276.917   89.555 -32.08012 128.2370 
1 1 1   -8   12    7 f  124.373   58.767  -0.2033   0.1769  -0.0075   0.2586  -0.3757   0.2425  191.789   82.138  135.057   65.150 56.73186 104.8387 
1 1 1   -8   12    8 o  1038.33   39.316   4.9861   0.3756   5.3152   0.6279   4.8026   0.4688  1065.57   64.339  1017.41   50.074 48.15936 81.52895 
1 1 1   -8   12    9 o  773.159   69.655   2.8275   0.4902   2.7937   0.7912   2.8486   0.6246  749.867  118.606  769.214   89.940 -19.34705 148.8510 
1 1 1   -8   12   10 f  1307.07   39.374   7.9217   0.4736   8.0180   0.7481   7.8574   0.6117  1307.42   62.188  1298.27   51.204 9.150269 80.55528 
1 1 1   -8   12   11 o  406.465   86.833   0.8219   0.3149   0.4604   0.4176   1.2987   0.4795  319.486  113.321  506.122  106.344 -186.6360 155.4050 
1 1 1   -8   12   12 o  661.093   52.870   2.0625   0.3189   1.8924   0.4695   2.2083   0.4346  621.221   84.303  677.711   70.736 -56.49030 110.0484 
1 1 1   -8   12   13 f  808.050   49.018   3.0709   0.3627   3.4405   0.5474   2.7816   0.4843  845.659   71.007  760.304   70.018 85.35565 99.72167 
1 1 1   -8   12   14 o  383.321   82.776   0.7380   0.2834   0.9349   0.4012   0.5419   0.4004  424.742  103.584  331.200  111.264 93.54214 152.0177 
1 1 1   -8   12   15 o  436.487   78.752   0.9445   0.3047   0.7368   0.4353   1.1438   0.4265  376.709  115.026  471.829  101.275 -95.12088 153.2567 
1 1 1   -8   12   16 o  433.766   82.035   0.9367   0.3154   1.3019   0.4491   0.5811   0.4432  505.259  100.129  343.509  117.046 161.7498 154.0310 
1 1 1   -8   12   17 o  870.610   52.875   3.5713   0.4216   4.9657   0.6404   2.5045   0.5601  1019.26   68.676  713.768   87.082 305.4965 110.9044 
1 1 1   -8   12   18 o  1125.11   46.180   5.9061   0.4781   5.6286   0.6328   6.2752   0.7298  1090.01   63.365  1147.85   69.421 -57.83850 93.99117 
1 1 1   -8   12   19 o  845.757   54.132   3.3602   0.4191   3.0370   0.5471   3.8193   0.6519  796.058   75.594  891.247   80.355 -95.18811 110.3240 
1 1 1   -8   12   20 o  1091.83   64.477   5.6342   0.6449   7.1723   0.9876   4.4908   0.8515  1218.43   88.696  957.629   98.016 260.7957 132.1899 
1 1 1   -8   12   21 o  1187.06   50.785   6.5877   0.5547   6.1347   0.7233   7.2347   0.8644  1135.72   69.547  1229.36   76.800 -93.63562 103.6096 
1 1 1   -8   12   22 o  724.191  114.123   2.6860   0.7353   2.3489   0.8898   3.4122   1.3059  652.101  151.221  756.455  188.339 -104.3539 241.5359 
1 1 1   -8   12   23 o  452.906  107.543   1.0764   0.4415   1.2874   0.5996   0.8265   0.6526  484.038  131.291  397.763  141.601 86.27475 193.1011 
1 1 1   -8   12   24 o  420.599  117.436   0.9717   0.4719   1.5351   0.6670   0.4070   0.6678  515.617  137.895  329.826  136.005 185.7911 193.6811 
1 1 1   -8   12   25 o  349.400  136.637   0.6189   0.6371   0.5393   0.7190   0.9095   1.3745  344.942  141.550  415.715  183.501 -70.77310 231.7520 
1 1 1   -8   14    1 o  249.297   66.556   0.2990   0.1555   0.1153   0.2034   0.5580   0.2414  198.756   77.345  339.065   78.867 -140.3086 110.4634 
1 1 1   -8   14    2 o  815.743   36.636   3.0715   0.2750   2.9173   0.3794   3.2422   0.3992  791.971   52.359  835.110   52.205 -43.13885 73.93801 
1 1 1   -8   14    3 o  627.569   40.932   1.8273   0.2351   1.7377   0.3305   1.9191   0.3345  608.978   59.745  640.697   57.336 -31.71912 82.80665 
1 1 1   -8   14    4 o  693.112   40.917   2.2282   0.2598   2.8456   0.4027   1.7880   0.3400  781.019   56.416  617.378   60.637 163.6418 82.82304 
1 1 1   -8   14    5 o  1761.29   35.560   14.330   0.5763   14.478   0.8319   14.193   0.7991  1766.59   51.178  1749.54   49.640 17.05518 71.29729 
1 1 1   -8   14    6 o  992.852   48.562   4.5752   0.4437   3.4539   0.8048   5.0646   0.5317  843.161  106.084  1041.76   55.673 -198.5941 119.8051 
1 1 1   -8   14    7 o  1332.20   55.422   8.2747   0.6794   7.5874   1.0853   8.7176   0.8712  1256.81   94.537  1360.46   69.829 -103.6512 117.5304 
1 1 1   -8   14    8 o  443.936   92.328   0.9771   0.3649   1.3479   0.6909   0.8338   0.4297  507.505  142.240  406.356  111.526 101.1488 180.7496 
1 1 1   -8   14    9 f  300.845   87.548   0.4449   0.2570   0.0548   0.3751   0.7901   0.3528  236.385   99.998  396.091   97.468 -159.7060 139.6413 
1 1 1   -8   14   10 o  631.294   54.764   1.8836   0.3150   2.5343   0.5302   1.5288   0.3915  722.445   81.161  560.392   78.052 162.0533 112.6014 
1 1 1   -8   14   11 o  600.981   69.037   1.7415   0.3748   2.2884   0.5265   1.1792   0.5338  682.080   85.782  471.665  122.059 210.4153 149.1872 
1 1 1   -8   14   12 o  176.768   78.855  -0.0806   0.2606  -0.3295   0.4007   0.1019   0.3431  193.651   90.534  232.742   96.851 -39.09018 132.5769 
1 1 1   -8   14   13 o  597.949   66.558   1.7258   0.3600   1.5043   0.5755   1.8682   0.4614  531.127  120.520  614.395   83.802 -83.26776 146.7912 
1 1 1   -8   14   14 o  754.988   59.255   2.7156   0.4083   3.1779   0.6584   2.4265   0.5206  799.364   91.139  702.502   82.078 96.86151 122.6505 
1 1 1   -8   14   15 o  639.608   65.998   1.9678   0.3828   2.6856   0.6779   1.6316   0.4639  726.806  104.354  570.548   91.455 156.2582 138.7575 
1 1 1   -8   14   16 o  309.020  101.148   0.4672   0.3315   0.2989   0.5051   0.5944   0.4394  300.021  120.263  346.095  116.546 -46.07458 167.4693 
1 1 1   -8   14   17 o  656.208   67.136   2.0633   0.3997   2.5403   0.6187   1.7217   0.5236  714.725   96.541  584.362  101.031 130.3629 139.7410 
1 1 1   -8   14   18 o  182.077   84.704  -0.2798   0.3439  -0.4143   0.5512  -0.1940   0.4401  230.127  107.117  221.402  100.297 8.724915 146.7429 
1 1 1   -8   14   19 o  682.944  106.895   2.3348   0.6497   5.4223   1.5187   1.6431   0.7188  993.548  172.372  555.564  140.515 437.9843 222.3887 
1 1 1   -8   14   20 o  827.273   59.013   3.2330   0.4463   3.6711   0.6304   2.7929   0.6318  872.936   79.351  754.101   93.030 118.8358 122.2749 
1 1 1   -8   14   21 o  429.516  100.563   0.9420   0.3904   0.8168   0.5149   1.1114   0.5989  397.578  125.704  456.257  133.896 -58.67966 183.6561 
1 1 1   -8   14   22 o  268.856  120.288  -0.1057   0.6112  -0.8122   0.7111   1.8906   1.1954  235.899  113.219  549.713  192.006 -313.8144 222.9010 
1 1 1   -8   14   23 o  1013.68   62.579   4.9388   0.5809   4.8474   0.7671   5.0616   0.8893  986.438   85.350  996.011   98.316 -9.573425 130.1950 
1 1 1   -8   14   24 f  349.181  118.950   0.6608   0.4577   1.1998   0.6298   0.0574   0.6664  448.800  138.582  285.703  126.855 163.0977 187.8758 
1 1 1   -8   16    1 o  487.747   55.612   1.1238   0.2451   1.0888   0.3129   1.1793   0.3943  475.351   73.947  490.049   90.796 -14.69794 117.0982 
1 1 1   -8   16    2 o  889.940   42.239   3.6738   0.3459   3.8439   0.4477   3.4217   0.5448  906.459   53.915  850.066   70.286 56.39276 88.58278 
1 1 1   -8   16    3 o  905.234   42.045   3.8016   0.3502   4.3035   0.4692   3.1702   0.5262  959.297   53.367  817.702   70.633 141.5950 88.52742 
1 1 1   -8   16    4 o  492.858   56.174   1.1489   0.2502   1.4127   0.3474   0.8646   0.3606  543.111   71.238  416.380   96.077 126.7315 119.6063 
1 1 1   -8   16    5 o  904.432   44.562   3.8030   0.3709   3.9285   0.4960   3.6439   0.5585  913.762   59.309  876.142   69.859 37.62030 91.63990 
1 1 1   -8   16    6 o  457.742   65.935   1.0066   0.2697   0.9979   0.3697   1.0164   0.3943  447.395   92.846  449.961   98.013 -2.566132 135.0066 
1 1 1   -8   16    7 o  626.268   63.389   1.8677   0.3603   1.3576   0.6703   2.0749   0.4272  503.969  139.697  657.398   71.790 -153.4288 157.0635 
1 1 1   -8   16    8 o  760.343   51.047   2.7202   0.3551   2.8842   0.5143   2.5708   0.4908  774.273   73.052  730.206   74.072 44.06720 104.0347 
1 1 1   -8   16    9 f  661.114   57.041   2.0760   0.3436   2.0579   0.4794   2.0951   0.4928  647.549   82.313  652.624   84.005 -5.075134 117.6108 
1 1 1   -8   16   10 o  1042.72   61.329   5.1776   0.5858   5.2201   0.6846   5.0612   1.1321  1040.46   71.953  977.390  129.030 63.07141 147.7366 
1 1 1   -8   16   11 o  455.831   97.250   1.0686   0.3955   0.7998   0.8160   1.1512   0.4521  402.802  155.438  468.824  107.142 -66.02148 188.7864 
1 1 1   -8   16   12 o  1048.90   56.586   5.2223   0.5441   7.7317   1.2748   4.6633   0.6017  1222.03  114.708  985.067   66.775 236.9648 132.7283 
1 1 1   -8   16   13 o  642.153   65.762   1.9882   0.3831   2.8788   0.6468   1.5069   0.4755  756.735   94.982  542.676   98.859 214.0584 137.0940 
1 1 1   -8   16   14 o  681.246   62.018   2.2223   0.3845   2.2042   0.6177   2.2338   0.4913  655.081  106.101  674.059   80.823 -18.97791 133.3788 
1 1 1   -8   16   15 o  777.352   60.253   2.8785   0.4276   3.0116   0.6859   2.7938   0.5469  774.130   98.523  756.218   79.802 17.91278 126.7881 
1 1 1   -8   16   16 o  496.296   90.334   1.2329   0.3973   1.4808   0.6857   1.1076   0.4875  520.737  140.048  459.814  115.409 60.92337 181.4734 
1 1 1   -8   16   17 o  608.484   78.505   1.7981   0.4293   1.9684   0.7309   1.7083   0.5305  609.495  133.967  582.430  102.734 27.06531 168.8239 
1 1 1   -8   16   18 f  340.797  109.658   0.5706   0.3905   0.3944   0.6846   0.6556   0.4755  346.139  139.566  364.964  121.226 -18.82556 184.8636 
1 1 1   -8   16   19 o  504.772  147.454   1.3798   0.7278   0.0000   0.0000   1.3798   0.7278  ?   ?   504.772  147.454 0.000000 147.4543 
1 1 1   -8   16   20 o  760.063   76.493   2.7940   0.5277   2.3934   0.8060   3.0946   0.6981  669.720  135.452  788.278   98.390 -118.5580 167.4154 
1 1 1   -8   16   21 o  495.027  111.284   1.2854   0.4946   1.4549   0.6331   1.0199   0.7923  515.676  132.656  434.860  155.900 80.81580 204.7006 
1 1 1   -8   16   22 f  293.323  120.889   0.2658   0.5272   0.6578   0.8316   0.0024   0.6818  379.587  153.553  288.982  128.313 90.60507 200.1066 
1 1 1   -8   16   23 f  1086.69   73.364   5.8254   0.7293   7.7256   0.9867   3.5377   1.0827  1235.02   87.393  755.642  160.657 479.3806 182.8886 
1 1 1   -8   18    1 o  498.462   56.171   1.1826   0.2531   1.3402   0.3465   1.0021   0.3708  525.108   73.742  445.760   93.381 79.34848 118.9863 
1 1 1   -8   18    2 o  592.137   49.879   1.6525   0.2692   1.8669   0.3691   1.4089   0.3936  624.594   65.188  535.291   82.559 89.30237 105.1920 
1 1 1   -8   18    3 o  338.931   74.019   0.5690   0.2244   0.5305   0.3095   0.6116   0.3257  325.315   96.477  347.428   97.765 -22.11224 137.3530 
1 1 1   -8   18    4 o  605.401   50.783   1.7298   0.2803   2.0335   0.3977   1.4303   0.3950  650.818   67.394  538.992   82.255 111.8264 106.3382 
1 1 1   -8   18    5 o  560.046   54.383   1.4890   0.2767   1.4375   0.3836   1.5448   0.3996  541.022   79.409  561.102   79.634 -20.08069 112.4606 
1 1 1   -8   18    6 o  377.217   89.702   0.7232   0.3068   0.9549   0.6946   0.6670   0.3420  423.334  146.449  360.268   99.751 63.06644 177.1930 
1 1 1   -8   18    7 o  405.479   93.591   0.8421   0.3421   1.7992   0.7424   0.5841   0.3855  567.382  142.413  339.092  108.927 228.2901 179.2945 
1 1 1   -8   18    8 o  492.251   73.694   1.1917   0.3235   1.1952   0.4691   1.1885   0.4468  476.267  109.343  477.249  104.633 -0.9819031 151.3405 
1 1 1   -8   18    9 o  231.608   98.464   0.0665   0.3666  -0.1955   0.4077   1.1748   0.8384  208.443   95.241  452.868  160.583 -244.4250 186.7021 
1 1 1   -8   18   10 o  400.172   86.871   0.8164   0.3107   0.9246   0.4466   0.7149   0.4326  415.532  113.558  368.032  115.050 47.49985 161.6533 
1 1 1   -8   18   11 o  352.850   95.781   0.6445   0.3190   0.7729   0.4788   0.5421   0.4277  381.072  121.287  330.356  114.879 50.71555 167.0564 
1 1 1   -8   18   12 o  544.694   77.905   1.4660   0.3793   1.4102   0.5600   1.5133   0.5157  511.163  120.942  537.692  107.981 -26.52863 162.1324 
1 1 1   -8   18   13 o  760.335   62.556   2.7701   0.4338   2.3127   0.6316   3.1785   0.5968  670.143  105.948  803.846   81.825 -133.7024 133.8667 
1 1 1   -8   18   14 o  804.330   58.619   3.0788   0.4309   3.4238   0.7082   2.8760   0.5429  827.319   94.735  767.583   77.947 59.73669 122.6803 
1 1 1   -8   18   15 o  790.945   63.356   2.9854   0.4572   3.6857   0.7940   2.6380   0.5593  855.809  102.891  733.078   84.455 122.7307 133.1133 
1 1 1   -8   18   16 o  476.880  106.538   1.1663   0.4557   3.0846   1.1909   0.8372   0.4933  729.889  178.739  402.053  122.372 327.8361 216.6160 
1 1 1   -8   18   17 o  1092.08   66.868   5.6691   0.6687   4.0057   1.4425   6.1245   0.7547  824.548  193.456  1131.89   72.850 -307.3385 206.7178 
1 1 1   -8   18   18 f  890.422  101.423   3.9438   0.8162   0.0000   0.0000   3.9438   0.8162  ?   ?   890.422  101.423 0.000000 101.4234 
1 1 1   -8   18   19 o  176.029   84.413  -0.5089   0.3935  -0.7823   0.6996  -0.3823   0.4758  236.839  113.306  211.197   98.712 25.64290 150.2737 
1 1 1   -8   18   20 o  473.982  111.757   1.1849   0.4795   1.4936   0.7561   0.9772   0.6201  511.495  150.546  424.046  138.321 87.44888 204.4430 
1 1 1   -8   18   21 o  312.171  139.606   0.0151   0.8223   0.5226   1.0910  -0.6522   1.2511  386.455  167.145  326.838  154.981 59.61670 227.9402 
1 1 1   -8   18   22 o  263.369  115.973   0.0449   0.5458  -0.6134   0.9272   0.3939   0.6751  277.423  132.088  323.779  135.395 -46.35605 189.1540 
1 1 1   -8   18   23 o  488.158  142.805   1.4950   0.6822   1.9321   0.9410   1.0108   0.9904  522.848  170.383  402.376  165.742 120.4722 237.6990 
1 1 1   -8   20    1 o  395.727   79.372   0.7891   0.2790   0.6996   0.3677   0.9105   0.4282  364.542  104.331  412.554  110.553 -48.01163 152.0099 
1 1 1   -8   20    2 o  750.994   51.359   2.6746   0.3528   2.6484   0.4771   2.7062   0.5240  737.351   71.202  741.402   77.980 -4.051025 105.5965 
1 1 1   -8   20    3 o  455.587   71.158   1.0231   0.2885   1.0587   0.3889   0.9795   0.4304  452.114   96.419  428.847  108.879 23.26642 145.4341 
1 1 1   -8   20    4 o  617.204   60.807   1.8335   0.3409   1.7624   0.4260   1.9598   0.5682  595.878   79.693  613.923  104.317 -18.04529 131.2746 
1 1 1   -8   20    5 o  384.201   95.636   0.7692   0.3368   0.8691   0.7698   0.7455   0.3745  403.649  152.129  375.544  104.534 28.10443 184.5824 
1 1 1   -8   20    6 o  188.719   84.370  -0.0837   0.3001  -0.4020   0.6888  -0.0091   0.3334  255.393  119.164  209.996   91.597 45.39679 150.2997 
1 1 1   -8   20    7 o  856.751   51.805   3.4839   0.4065   3.5314   0.5738   3.4362   0.5759  849.190   74.183  836.615   75.624 12.57550 105.9341 
1 1 1   -8   20    8 o  968.958   51.673   4.4521   0.4591   5.0921   0.6607   3.8547   0.6383  1023.56   70.576  883.746   79.341 139.8148 106.1887 
1 1 1   -8   20    9 o  220.326   96.220  -0.0072   0.3689   0.1427   0.4096  -0.6507   0.8486  252.712  105.552  268.809  127.516 -16.09726 165.5341 
1 1 1   -8   20   10 o  377.339   96.683   0.7426   0.3372   0.4929   0.4741   0.9982   0.4797  323.636  119.889  428.786  117.917 -105.1504 168.1600 
1 1 1   -8   20   11 o  502.076   81.240   1.2597   0.3625   1.7154   0.5703   0.9508   0.4696  568.876  112.933  419.655  117.135 149.2211 162.7099 
1 1 1   -8   20   12 o  497.700   90.930   1.2581   0.4011   0.4690   0.5663   2.0523   0.5681  331.438  129.042  632.495  101.013 -301.0569 163.8768 
1 1 1   -8   20   13 o  317.118  104.504   0.4999   0.3536   0.1683   0.4781   0.9005   0.5255  273.386  114.097  409.712  126.599 -136.3256 170.4269 
1 1 1   -8   20   14 o  296.064  106.869   0.3935   0.3730   0.5590   0.5636   0.2646   0.4976  349.816  130.491  293.019  118.688 56.79721 176.3937 
1 1 1   -8   20   15 o  213.019   94.137  -0.0694   0.3628  -0.1550   0.5489  -0.0031   0.4834  252.318  113.364  253.974  110.547 -1.656174 158.3416 
1 1 1   -8   20   16 o  437.174   99.464   0.9736   0.3911   0.9234   0.6095   1.0087   0.5099  420.350  137.134  438.156  121.983 -17.80670 183.5363 
1 1 1   -8   20   17 o  830.214   71.756   3.3132   0.5428   4.3631   1.0707   2.9500   0.6297  911.640  131.441  773.599   90.149 138.0410 159.3852 
1 1 1   -8   20   18 f  333.165  134.097   0.3977   0.6308   0.0000   0.0000   0.3977   0.6308  ?   ?   333.165  134.097 0.000000 134.0973 
1 1 1   -8   20   19 o  688.580   85.545   2.3579   0.5303   2.5687   0.8981   2.2451   0.6571  671.884  149.161  654.195  113.267 17.68860 187.2922 
1 1 1   -8   20   20 o  427.057  134.642   1.0367   0.5911   0.8472   0.7714   1.3063   0.9198  396.782  151.627  461.368  167.627 -64.58633 226.0296 
1 1 1   -8   20   21 o  251.605  116.728  -0.2695   0.6461   1.5876   1.4253  -0.7500   0.7249  465.790  195.870  234.249  112.907 231.5414 226.0818 
1 1 1   -8   20   22 o  225.047  107.391  -0.5120   0.6202  -1.9385   1.3368  -0.1207   0.7001  270.673  134.827  268.548  123.479 2.125366 182.8258 
1 1 1   -8   22    1 o  1139.45   48.942   6.1478   0.5131   5.9431   0.6926   6.3970   0.7640  1103.62   68.545  1140.62   73.177 -36.99805 100.2661 
1 1 1   -8   22    2 o  443.803   83.278   1.0060   0.3276   0.5737   0.4269   1.6254   0.5109  331.909  114.809  553.271  104.183 -221.3622 155.0324 
1 1 1   -8   22    3 o  474.744   81.470   1.1423   0.3431   1.1511   0.4596   1.1314   0.5156  460.426  109.991  449.418  121.684 11.00748 164.0274 
1 1 1   -8   22    4 o  269.614  105.785   0.2838   0.3829   1.1245   0.8581   0.0748   0.4278  433.669  161.163  244.777  105.266 188.8919 192.4952 
1 1 1   -8   22    5 o  488.822   74.214   1.1900   0.3233   0.9776   0.4361   1.4492   0.4818  424.139  110.602  523.116  103.749 -98.97757 151.6470 
1 1 1   -8   22    6 o  282.506   96.934   0.3906   0.3040   0.4431   0.4035   0.3218   0.4623  304.249  110.953  289.507  115.396 14.74182 160.0837 
1 1 1   -8   22    7 o  247.240  102.388   0.1547   0.3807   0.3675   0.4271  -0.6688   0.8402  292.803  112.602  264.405  125.847 28.39792 168.8691 
1 1 1   -8   22    8 o  170.824   82.416  -0.5269   0.3885  -0.7503   0.4224   0.6982   0.9890  165.522   81.192  392.833  164.042 -227.3117 183.0358 
1 1 1   -8   22    9 o  675.861   65.769   2.2152   0.4038   2.2605   0.5785   2.1720   0.5640  663.402   97.696  650.417   97.217 12.98468 137.8249 
1 1 1   -8   22   10 o  412.268   96.010   0.8844   0.3574   0.8431   0.5075   0.9251   0.5035  393.936  124.818  411.244  123.295 -17.30768 175.4460 
1 1 1   -8   22   11 o  845.040   65.294   3.4375   0.5038   3.1373   0.7203   3.7249   0.7048  782.654  102.486  863.222   90.056 -80.56738 136.4312 
1 1 1   -8   22   12 o  431.940  102.675   0.9710   0.4021   1.1410   0.6450   0.8630   0.5142  453.422  140.285  401.886  125.408 51.53558 188.1670 
1 1 1   -8   22   13 o  281.493  108.597   0.3024   0.3982   0.3916   0.6490   0.2485   0.5044  335.011  135.604  291.710  118.996 43.30133 180.4122 
1 1 1   -8   22   14 o  489.866  101.035   1.2258   0.4403   1.3191   0.6569   1.1497   0.5933  491.421  139.033  461.879  132.623 29.54218 192.1431 
1 1 1   -8   22   15 o  421.566  114.451   0.9310   0.4554   0.9297   0.6775   0.9321   0.6150  420.825  144.688  419.767  137.793 1.057678 199.8033 
1 1 1   -8   22   16 o  604.561   93.021   1.8318   0.5009   2.6024   0.7439   1.1925   0.6775  706.272  118.668  465.018  143.756 241.2541 186.4078 
1 1 1   -8   22   17 o  378.392  143.850   0.6879   0.6921   0.0000   0.0000   0.6879   0.6921  ?   ?   378.392  143.850 0.000000 143.8500 
1 1 1   -8   22   18 o  282.847  111.533   0.3031   0.4276   0.3205   0.6639   0.2907   0.5590  321.160  134.279  301.992  124.472 19.16772 183.0954 
1 1 1   -8   22   19 o  478.425  116.364   1.2655   0.5073   0.8949   0.7909   1.5247   0.6614  399.216  153.296  509.841  137.723 -110.6251 206.0758 
1 1 1   -8   22   20 o  567.833  137.558   1.9442   0.7112   1.7347   0.8549   2.4149   1.2815  507.410  162.131  545.130  197.884 -37.72070 255.8214 
1 1 1   -8   22   21 o  220.256  103.575  -0.3239   0.5377  -0.6715   0.8856  -0.1209   0.6767  258.765  124.741  262.493  120.955 -3.728180 173.7537 
1 1 1   -8   24    1 o  267.623  108.726   0.2469   0.4189  -0.2836   0.8056   0.4435   0.4904  279.678  129.952  310.579  120.316 -30.90033 177.0970 
1 1 1   -8   24    2 o  541.298  102.214   1.5574   0.4905   1.3164   0.9417   1.6471   0.5745  452.917  168.732  545.271  117.937 -92.35428 205.8630 
1 1 1   -8   24    3 o  365.646  120.957   0.7339   0.4736   0.8674   0.8929   0.6816   0.5586  398.197  159.797  357.560  130.523 40.63751 206.3284 
1 1 1   -8   24    4 o  283.589  103.513   0.3783   0.3513   0.4225   0.4553   0.3134   0.5524  304.379  116.448  299.792  123.667 4.587006 169.8639 
1 1 1   -8   24    5 o  347.102  101.268   0.6403   0.3435   0.7300   0.4717   0.5390   0.5011  366.076  120.692  330.263  123.078 35.81329 172.3798 
1 1 1   -8   24    6 o  503.207  101.791   1.3381   0.4551   1.6025   0.5238   0.5233   0.9196  547.839  107.742  366.548  155.890 181.2911 189.4995 
1 1 1   -8   24    7 o  284.661  109.905   0.3391   0.4081   0.3746   0.4582   0.2028   0.8978  298.109  116.073  335.997  148.310 -37.88846 188.3317 
1 1 1   -8   24    8 o  297.058  104.296   0.4284   0.3529   0.2204   0.5106   0.6188   0.4884  283.187  118.026  346.969  122.607 -63.78229 170.1844 
1 1 1   -8   24    9 o  177.035   83.465  -0.3329   0.3532  -0.1502   0.5282  -0.4807   0.4751  243.333  110.087  200.003   95.032 43.33002 145.4310 
1 1 1   -8   24   10 o  515.405   83.956   1.3299   0.3845   1.1174   0.5159   1.5953   0.5765  453.870  121.236  545.898  118.201 -92.02835 169.3207 
1 1 1   -8   24   11 o  420.334  104.458   0.9218   0.4022   0.8223   0.5525   1.0341   0.5868  394.451  130.650  435.415  133.655 -40.96472 186.9043 
1 1 1   -8   24   12 o  616.029   80.545   1.8660   0.4456   1.6858   0.6482   2.0275   0.6137  558.894  128.694  625.944  110.594 -67.05023 169.6856 
1 1 1   -8   24   13 o  804.328   71.229   3.1227   0.5217   3.3103   0.7805   2.9712   0.7015  805.042  108.097  766.249  102.021 38.79327 148.6380 
1 1 1   -8   24   14 o  838.485   75.605   3.4168   0.5771   3.1781   0.8108   3.6617   0.8214  781.340  116.327  845.946  107.987 -64.60675 158.7238 
1 1 1   -8   24   15 o  437.713  126.421   1.0442   0.5377   1.1995   0.9284   0.9659   0.6596  458.793  168.142  420.352  142.792 38.44022 220.5930 
1 1 1   -8   24   16 o  461.393  123.967   1.1739   0.5375   2.1107   0.8737   0.6032   0.6819  594.640  157.259  360.449  141.248 234.1911 211.3798 
1 1 1   -8   24   17 o  554.515  133.846   1.7635   0.6752   2.5748   1.4566   1.5415   0.7619  575.992  210.685  502.897  151.876 73.09430 259.7202 
1 1 1   -8   24   18 f  326.225  122.078   0.5448   0.4940   0.5664   0.6980   0.5231   0.6993  344.605  140.214  339.244  139.449 5.361115 197.7520 
1 1 1   -8   24   19 o  195.506   96.921  -1.1921   0.6587  -0.7649   0.7458  -2.7084   1.4051  232.657  112.718  257.188  129.524 -24.53082 171.7025 
1 1 1   -8   24   20 o  248.364  115.309  -0.1685   0.6322   0.3718   0.8903  -0.7182   0.8979  323.168  144.841  254.680  123.460 68.48845 190.3194 
1 1 1   -8   26    1 o  685.008   90.399   2.4081   0.5559   2.9147   0.6587   1.1548   1.0361  747.865   98.087  432.801  172.675 315.0644 198.5893 
1 1 1   -8   26    2 o  515.761   93.224   1.3841   0.4261   1.2140   0.5354   1.6780   0.7040  463.090  123.410  531.343  141.470 -68.25317 187.7328 
1 1 1   -8   26    3 o  643.291   86.453   2.1022   0.4988   2.6869   0.7244   1.5752   0.6878  704.083  115.847  515.910  140.903 188.1727 182.4121 
1 1 1   -8   26    4 o  630.284   79.694   1.9876   0.4519   2.6336   0.6524   1.3920   0.6265  708.972  103.020  490.425  134.698 218.5468 169.5776 
1 1 1   -8   26    5 o  582.148   96.974   1.7564   0.5012   2.1524   0.5645   0.2812   1.0894  644.608   98.275  362.372  161.471 282.2356 189.0257 
1 1 1   -8   26    6 o  158.222   75.616  -0.3721   0.3099  -0.3057   0.3807  -0.5022   0.5332  187.792   87.940  212.550  100.902 -24.75789 133.8458 
1 1 1   -8   26    7 o  595.970   78.914   1.7626   0.4221   1.5163   0.5455   2.1303   0.6664  531.358  114.910  629.052  119.504 -97.69476 165.7878 
1 1 1   -8   26    8 o  694.519   69.331   2.3423   0.4372   2.2811   0.6080   2.4078   0.6289  665.566  102.579  683.668  103.188 -18.10132 145.5002 
1 1 1   -8   26    9 o  914.909   63.898   4.0150   0.5346   4.3778   0.7620   3.6633   0.7501  937.813   89.380  851.265   97.526 86.54742 132.2881 
1 1 1   -8   26   10 o  628.827   82.688   1.9589   0.4669   3.6372   0.7186   0.7334   0.6141  852.150   93.165  379.496  137.104 472.6535 165.7621 
1 1 1   -8   26   11 o  405.445  112.490   0.8725   0.4344   0.6677   0.6085   1.0853   0.6204  368.104  135.931  442.566  137.693 -74.46194 193.4850 
1 1 1   -8   26   12 o  575.695   94.647   1.6856   0.4839   2.3693   0.7218   1.1272   0.6523  665.298  122.417  448.097  141.457 217.2014 187.0722 
1 1 1   -8   26   13 o  432.743  115.996   1.0119   0.4713   0.5654   0.6632   1.4675   0.6699  354.311  139.157  507.817  139.215 -153.5053 196.8389 
1 1 1   -8   26   14 o  401.557  125.123   0.8904   0.5121   2.6010   0.9185   0.1187   0.6169  662.487  153.647  288.608  125.254 373.8797 198.2325 
1 1 1   -8   26   15 o  595.147  116.841   1.9397   0.6170   1.3679   0.9795   2.3160   0.7945  460.938  172.010  629.607  140.680 -168.6698 222.2126 
1 1 1   -8   26   16 o  560.507  132.473   1.8479   0.6724   3.0671   1.4906   1.5365   0.7535  596.801  213.847  491.066  151.566 105.7349 262.1122 
1 1 1   -8   26   17 o  708.534   96.177   2.6826   0.6108   2.7338   0.8696   2.6328   0.8582  656.823  147.494  643.281  148.057 13.54205 208.9866 
1 1 1   -8   26   18 o  480.808  138.977   1.5133   0.6496   1.8652   0.8710   1.0723   0.9750  499.422  163.981  389.094  162.712 110.3283 231.0089 
1 1 1   -8   28    1 o  404.469  120.544   0.9042   0.4823   0.6063   0.6558   1.2551   0.7119  354.985  138.685  459.617  148.063 -104.6326 202.8695 
1 1 1   -8   28    2 o  1120.11   73.243   6.1394   0.7508   6.3810   0.8583   5.3522   1.5490  1132.62   82.931  902.991  192.319 229.6331 209.4379 
1 1 1   -8   28    3 o  586.072  103.925   1.8013   0.5399   2.4847   0.6113  -0.6231   1.1514  694.302   98.442  314.145  148.881 380.1567 178.4837 
1 1 1   -8   28    4 o  730.702   75.043   2.6269   0.4974   3.2984   0.6721   1.8140   0.7395  806.898   92.181  559.371  143.097 247.5265 170.2182 
1 1 1   -8   28    5 o  823.471   81.693   3.3640   0.6108   2.9629   0.6724   5.2580   1.4611  760.321   98.423  920.986  178.853 -160.6649 204.1458 
1 1 1   -8   28    6 o  911.770  126.809   4.5010   1.0351   5.5020   1.5330   3.6623   1.4032  936.936  184.385  733.994  201.593 202.9428 273.1983 
1 1 1   -8   28    7 o  1074.15   62.679   5.5385   0.6168   5.2884   0.8090   5.8857   0.9533  1030.92   86.068  1076.92   97.251 -46.00134 129.8673 
1 1 1   -8   28    8 o  1360.96   58.067   8.8175   0.7272   9.2547   1.0194   8.3644   1.0376  1370.63   81.188  1295.95   87.527 74.67773 119.3841 
1 1 1   -8   28    9 o  697.650   83.754   2.4297   0.5269   2.2638   0.7108   2.6320   0.7850  644.443  124.378  693.157  127.787 -48.71454 178.3239 
1 1 1   -8   28   10 o  774.403   79.103   2.9698   0.5558   2.6232   0.7453   3.4041   0.8342  696.462  120.662  798.268  117.037 -101.8065 168.0986 
1 1 1   -8   28   11 o  861.957   71.821   3.6397   0.5645   3.5076   0.7784   3.7861   0.8197  818.217  105.872  849.004  107.325 -30.78680 150.7565 
1 1 1   -8   28   12 o  765.604   87.333   2.9763   0.6042   3.0748   0.9308   2.9045   0.7944  723.544  144.853  724.379  123.615 -0.8347168 190.4288 
1 1 1   -8   28   13 o  234.606  105.492  -0.0746   0.4765   0.4108   0.7356  -0.4255   0.6254  330.079  139.859  235.356  110.991 94.72234 178.5482 
1 1 1   -8   28   14 o  377.196  129.063   0.8367   0.5389   0.5081   0.7595   1.1698   0.7647  337.556  142.519  424.444  153.050 -86.88840 209.1315 
1 1 1   -8   28   15 o  644.317  125.090   2.4558   0.7149   4.0505   1.5917   2.0528   0.8001  638.272  221.638  553.321  152.332 84.95172 268.9397 
1 1 1   -8   28   16 o  835.875   90.963   3.7592   0.6883   4.6386   1.0460   3.0874   0.9142  857.630  137.165  677.251  150.596 180.3792 203.6990 
1 1 1   -8   28   17 o  322.843  131.260   0.6209   0.6111   0.7525   0.8277   0.4632   0.9061  342.828  146.895  319.809  144.484 23.01898 206.0431 
1 1 1   -8   30    1 o  277.254  119.916   0.1325   0.5616  -0.6217   0.6370   2.7654   1.1901  225.852  108.067  625.356  190.028 -399.5033 218.6074 
1 1 1   -8   30    2 o  418.397  120.683   0.9831   0.4903   1.6370   0.6342   0.0119   0.7729  534.560  130.151  299.188  134.462 235.3723 187.1345 
1 1 1   -8   30    3 o  935.917   71.855   4.3045   0.6141   4.1387   0.7959   4.5483   0.9654  893.508   98.433  916.638  117.133 -23.13007 153.0008 
1 1 1   -8   30    4 o  451.820  116.125   1.1312   0.4854   0.5260   0.5971   2.3104   0.8335  335.592  131.969  621.600  147.878 -286.0076 198.2013 
1 1 1   -8   30    5 o  735.101   85.774   2.7359   0.5693   3.6282   0.7636   1.6197   0.8541  832.950  101.748  503.935  162.166 329.0153 191.4432 
1 1 1   -8   30    6 o  187.851   88.979  -0.3857   0.4102  -0.9295   0.5264   0.4548   0.6544  182.073   89.576  330.690  135.294 -148.6169 162.2602 
1 1 1   -8   30    7 o  458.993  113.380   1.1642   0.4761   1.3097   0.5918   0.8975   0.8014  474.753  131.130  397.405  153.844 77.34830 202.1462 
1 1 1   -8   30    8 o  348.984  119.661   0.6627   0.4632   0.8244   0.5913   0.4058   0.7454  380.845  134.877  331.931  140.723 48.91339 194.9218 
1 1 1   -8   30    9 o  764.718   82.632   2.9688   0.5722   2.9179   0.7627   3.0343   0.8654  724.698  118.471  720.911  135.437 3.786926 179.9404 
1 1 1   -8   30   10 o  788.339  117.490   3.4726   0.8262   3.9244   0.9814   2.3728   1.5312  816.328  135.392  513.975  208.204 302.3522 248.3546 
1 1 1   -8   30   11 o  653.450  136.824   2.5933   0.7963   2.8839   0.9275   1.7785   1.5530  667.336  154.154  453.562  197.772 213.7742 250.7532 
1 1 1   -8   30   12 o  325.393  136.582   0.5170   0.6910   0.4914   0.7960   0.5954   1.3917  329.843  142.714  367.717  170.841 -37.87473 222.6071 
1 1 1   -8   30   13 o  213.076   99.636  -0.2354   0.4857   0.7232   0.6580  -1.3834   0.7201  343.888  137.470  195.902   97.800 147.9864 168.7094 
1 1 1   -8   30   14 o  764.988  123.488   3.5997   0.8396   4.5758   1.8910   3.3600   0.9371  550.269  228.055  696.003  150.685 -145.7341 273.3409 
1 1 1   -8   30   15 o  287.669  120.065   0.4289   0.5294  -0.0617   0.7180   1.0134   0.7838  258.441  120.941  363.996  148.398 -105.5546 191.4381 
1 1 1   -8   32    1 o  256.543  115.562  -0.0033   0.5747   0.1113   0.8232  -0.1123   0.8028  301.294  136.761  281.684  130.480 19.61035 189.0204 
1 1 1   -8   32    2 o  320.257  130.201   0.5016   0.6013   1.5157   0.8651  -0.4461   0.8363  460.978  163.150  264.769  125.886 196.2089 206.0710 
1 1 1   -8   32    3 f  286.133  116.864   0.3420   0.4872   0.0008   0.5957   1.0309   0.8465  260.860  117.566  396.726  156.773 -135.8661 195.9579 
1 1 1   -8   32    4 o  433.952  123.612   1.1293   0.5174   1.3701   0.6621   0.7513   0.8295  460.853  142.049  363.045  150.797 97.80774 207.1658 
1 1 1   -8   32    5 o  645.688  109.885   2.3373   0.6295   2.4662   0.8343   2.1669   0.9592  617.387  148.638  540.816  171.625 76.57056 227.0426 
1 1 1   -8   32    6 o  293.466  120.973   0.3738   0.5281   0.5792   0.6804   0.0626   0.8376  333.006  137.299  296.894  135.975 36.11224 193.2361 
1 1 1   -8   32    7 f  819.921   90.153   3.5728   0.6689   3.4476   0.9285   3.7079   0.9646  738.673  141.758  766.238  142.040 -27.56561 200.6752 
1 1 1   -8   32    8 o  245.172  109.680   0.0376   0.5080   0.3618   0.6804  -0.3707   0.7636  302.800  131.478  253.194  120.356 49.60585 178.2467 
1 1 1   -8   32    9 o  397.874  136.188   1.0634   0.6000   1.3297   0.8284   0.7694   0.8703  417.070  157.661  350.449  150.406 66.62094 217.8966 
1 1 1   -8   32   10 o  476.589  126.370   1.4627   0.5632   1.8095   0.7566   1.0316   0.8435  494.379  151.760  371.289  152.950 123.0901 215.4637 
1 1 1   -8   32   11 o  308.031  124.077   0.5678   0.5405   0.0086   0.7186   1.2963   0.8202  263.645  122.579  396.486  155.040 -132.8409 197.6438 
1 1 1   -8   32   12 o  258.576  114.922   0.2065   0.5482   1.4590   0.7791  -1.0216   0.7714  415.482  153.733  211.290  104.771 204.1916 186.0395 
1 1 1   -8   34    1 o  645.120  116.820   2.5865   0.6679   3.1388   0.8924   1.8829   1.0072  653.806  151.322  436.112  171.430 217.6939 228.6624 
1 1 1   -8   34    2 o  204.064   98.597  -0.4819   0.5610  -0.7490   0.7060  -0.0244   0.9240  214.233  105.062  278.533  132.399 -64.29942 169.0192 
1 1 1   -8   34    3 o  231.036  107.529  -0.1016   0.5553   0.4865   0.7220  -0.9534   0.8688  302.508  133.288  228.421  112.888 74.08734 174.6687 
1 1 1   -8   34    4 o  258.487  114.880   0.1993   0.5477   0.5473   0.6887  -0.3995   0.9035  306.562  132.696  256.182  124.103 50.38031 181.6859 
1 1 1   -8   34    5 o  307.782  127.229   0.5944   0.5864   0.6343   0.7335   0.5236   0.9761  315.112  136.665  312.640  144.488 2.472382 198.8821 
1 1 1   -8   34    6 o  228.312  106.233  -0.0794   0.5414  -0.4637   0.6691   0.6492   0.9213  221.185  107.064  317.349  144.292 -96.16400 179.6747 
1 1 1   -8   34    7 o  206.521   99.640  -0.4156   0.5678  -0.5454   0.7031  -0.1724   0.9628  220.325  107.358  266.969  129.033 -46.64363 167.8546 
1 1 1   -8   34    8 o  238.997  108.903   0.0898   0.5284  -0.2634   0.6246   0.9791   0.9910  223.932  107.114  334.011  150.982 -110.0789 185.1187 
1 1 1   -8   34    9 o  367.607  141.350   1.1446   0.6730   1.2065   0.7294   0.7897   1.7460  368.860  145.596  318.081  157.706 50.77948 214.6377 
1 1 1   -8   34   10 o  352.676  173.048   2.3387   1.9233   2.3387   1.9233   0.0000   0.0000  352.676  173.048  ?   ?  0.000000 173.0478 
1 1 1   -8   36    1 o  281.110  129.919   0.6103   0.7893   0.7285   1.1012   0.4853   1.1318  287.610  138.761  277.337  135.373 10.27295 193.8567 
1 1 1   -8   36    2 o  229.711  111.647  -0.1939   0.7473   0.9427   1.0550  -1.3383   1.0586  300.271  142.365  217.135  109.728 83.13585 179.7442 
1 1 1   -8   36    3 o  339.431  167.804   3.0240   1.9251   0.0000   0.0000   3.0240   1.9251  ?   ?   339.431  167.804 0.000000 167.8043 
1 1 1   -8   36    4 f  285.231  144.603   0.4340   1.9331   0.0000   0.0000   0.4340   1.9331  ?   ?   285.231  144.603 0.000000 144.6028 
1 1 1   -8   36    5 o  231.402  118.701  -2.7506   1.6675   0.0000   0.0000  -2.7506   1.6675  ?   ?   231.402  118.701 0.000000 118.7005 
1 1 1   -7    1    1 o  2051.85   25.375   19.385   0.4791   19.691   0.6855   19.093   0.6698  2067.17   36.039  2035.56   35.761 31.60583 50.77099 
1 1 1   -7    1    2 o  2359.80   25.901   25.641   0.5624   25.918   0.8015   25.372   0.7894  2371.55   36.728  2346.46   36.562 25.09644 51.82406 
1 1 1   -7    1    3 o  1387.87   28.147   8.8709   0.3595   8.9531   0.5120   8.7910   0.5048  1393.58   39.929  1380.93   39.724 12.65576 56.32283 
1 1 1   -7    1    4 o  2016.09   29.258   18.723   0.5428   18.200   0.7564   19.278   0.7793  1986.58   41.378  2044.53   41.425 -57.95081 58.55102 
1 1 1   -7    1    5 o  639.702   39.098   1.8940   0.2290   1.7337   0.3210   2.0603   0.3269  609.629   57.923  665.606   53.832 -55.97656 79.07510 
1 1 1   -7    1    6 o  1959.22   26.365   17.679   0.4753   17.700   0.6750   17.658   0.6695  1959.34   37.437  1957.07   37.176 2.274902 52.75949 
1 1 1   -7    1    7 o  2645.23   27.132   32.226   0.6604   32.509   0.9413   31.951   0.9268  2655.47   38.524  2632.63   38.257 22.83813 54.29314 
1 1 1   -7    1    8 o  2810.26   26.004   36.363   0.6724   36.619   0.8953   36.031   1.0185  2819.32   34.511  2796.01   39.588 23.31421 52.51827 
1 1 1   -7    1    9 o  687.787   32.942   2.1790   0.2085   2.1728   0.3017   2.1846   0.2884  684.678   48.199  686.777   45.902 -2.099060 66.55933 
1 1 1   -7    1   10 o  2019.76   38.332   18.803   0.7124   17.641   0.9802   20.104   1.0373  1954.54   54.499  2086.64   54.022 -132.1006 76.73712 
1 1 1   -7    1   11 o  438.834   46.887   0.8996   0.1864   0.9953   0.2764   0.8197   0.2525  458.420   67.543  414.979   68.506 43.44077 96.20393 
1 1 1   -7    1   12 o  1223.35   45.013   6.9252   0.5067   6.8969   0.7122   6.9543   0.7211  1215.69   63.888  1220.61   64.431 -4.914185 90.73579 
1 1 1   -7    1   13 o  1247.88   33.143   7.1961   0.3806   8.0929   0.5664   6.4581   0.5138  1320.51   46.614  1179.46   47.345 141.0496 66.44120 
1 1 1   -7    1   14 o  1140.26   35.450   6.0214   0.3720   6.2666   0.5353   5.7924   0.5172  1159.45   50.170  1114.65   50.431 44.80432 71.13549 
1 1 1   -7    1   15 o  1147.87   36.310   6.1133   0.3835   6.8344   0.5614   5.4824   0.5251  1208.96   50.467  1082.00   52.746 126.9630 73.00011 
1 1 1   -7    1   16 o  210.439   81.454   0.1475   0.2246   0.3424   0.3181  -0.0465   0.3173  277.747   98.859  202.178   88.740 75.56851 132.8460 
1 1 1   -7    1   17 f  793.855   46.450   2.9556   0.3378   3.7698   0.4944   2.2424   0.4627  891.178   60.650  680.365   75.165 210.8134 96.58292 
1 1 1   -7    1   18 o  889.769   44.387   3.6945   0.3634   3.5993   0.5042   3.7974   0.5242  869.760   63.440  893.140   64.218 -23.37964 90.26939 
1 1 1   -7    1   19 o  634.912   55.837   1.9078   0.3229   2.0306   0.4433   1.7691   0.4713  647.849   75.796  599.016   88.133 48.83289 116.2434 
1 1 1   -7    1   20 o  291.536   95.612   0.4026   0.2961  -0.4002   0.4060   1.3149   0.4329  190.453   89.699  513.653   95.083 -323.1998 130.7162 
1 1 1   -7    1   21 o  1548.16   58.613   11.231   0.8350   12.320   1.2222   10.278   1.1434  1604.97   83.040  1464.09   85.244 140.8770 119.0050 
1 1 1   -7    1   22 o  1050.80   48.130   5.1442   0.4654   5.5819   0.6670   4.7290   0.6496  1086.34   67.056  997.828   71.217 88.51318 97.81820 
1 1 1   -7    1   23 o  592.096  107.541   1.7688   0.5643   1.7203   0.7924   1.8188   0.8039  563.567  150.112  579.753  149.669 -16.18616 211.9774 
1 1 1   -7    1   24 o  211.520   93.295  -0.0616   0.3546   0.8718   0.5484  -0.7325   0.4649  408.350  129.788  181.327   88.116 227.0233 156.8733 
1 1 1   -7    1   25 o  357.948  109.744   0.6682   0.3958   0.8189   0.5840   0.5402   0.5382  392.566  134.361  340.358  127.407 52.20773 185.1637 
1 1 1   -7    1   26 o  603.646   85.592   1.8454   0.4621   2.0948   0.6501   1.5907   0.6570  619.787  118.302  525.154  135.170 94.63281 179.6281 
1 1 1   -7    3    1 o  3689.19   29.404   62.688   0.9981   61.852   1.1628   65.029   1.9459  3663.73   34.491  3751.84   56.365 -88.11304 66.08044 
1 1 1   -7    3    2 o  1809.13   26.543   15.072   0.4419   14.543   0.6173   15.629   0.6327  1776.22   37.771  1841.39   37.342 -65.17395 53.11431 
1 1 1   -7    3    3 o  544.938   29.295   1.3718   0.1464   1.2147   0.2329   1.4744   0.1882  510.514   50.221  564.403   36.425 -53.88971 62.03962 
1 1 1   -7    3    4 o  1139.06   24.702   5.9747   0.2589   5.8945   0.3661   6.0550   0.3662  1130.87   35.181  1146.19   34.723 -15.31824 49.43061 
1 1 1   -7    3    5 o  1953.16   25.075   17.568   0.4506   17.868   0.6434   17.280   0.6314  1968.79   35.514  1936.12   35.442 32.67029 50.17334 
1 1 1   -7    3    6 o  2413.56   25.986   26.828   0.5771   26.518   0.8124   27.144   0.8200  2398.34   36.812  2426.54   36.725 -28.19141 51.99891 
1 1 1   -7    3    7 o  1379.93   28.535   8.7702   0.3623   9.1350   0.5211   8.4288   0.5041  1407.59   40.236  1352.08   40.518 55.51636 57.10180 
1 1 1   -7    3    8 o  4276.78   27.734   84.224   1.0914   83.062   1.5207   85.460   1.5674  4245.41   38.927  4306.14   39.558 -60.73291 55.49857 
1 1 1   -7    3    9 f  776.937   40.417   2.7897   0.2879   2.4961   0.4435   3.0036   0.3786  731.819   66.583  805.209   51.369 -73.39014 84.09587 
1 1 1   -7    3   10 o  1986.71   34.539   18.188   0.6314   18.430   0.8254   17.847   0.9804  1998.79   44.875  1965.73   54.202 33.05542 70.36841 
1 1 1   -7    3   11 o  902.735   36.208   3.7592   0.3008   3.6944   0.3980   3.8455   0.4592  892.666   48.639  909.834   55.113 -17.16766 73.50631 
1 1 1   -7    3   12 o  1674.59   42.012   12.972   0.6474   13.404   0.9319   12.570   0.8999  1697.55   59.661  1643.91   59.494 53.63208 84.25499 
1 1 1   -7    3   13 o  1462.82   31.767   9.8873   0.4276   10.370   0.6163   9.4396   0.5938  1494.93   44.801  1426.20   45.247 68.72742 63.67423 
1 1 1   -7    3   14 o  531.446   50.638   1.3290   0.2446   1.1831   0.3466   1.4737   0.3453  493.247   79.046  554.846   69.130 -61.59836 105.0102 
1 1 1   -7    3   15 o  701.609   44.651   2.3035   0.2868   2.6814   0.4091   1.9383   0.4021  752.462   59.568  635.446   69.927 117.0161 91.85934 
1 1 1   -7    3   16 o  616.557   50.348   1.7928   0.2831   1.8984   0.3968   1.6832   0.4041  627.707   69.889  588.034   76.502 39.67285 103.6197 
1 1 1   -7    3   17 o  521.670   60.514   1.3020   0.2851   1.3178   0.3940   1.2846   0.4131  515.263   86.134  506.074   92.093 9.188049 126.0961 
1 1 1   -7    3   18 o  293.047   90.035   0.4223   0.2662   0.8131   0.3888   0.0773   0.3653  397.573  104.799  235.626   99.124 161.9476 144.2516 
1 1 1   -7    3   19 o  399.039   82.855   0.7921   0.2943   0.4737   0.4069   1.1412   0.4260  319.487  112.005  474.126  100.762 -154.6389 150.6585 
1 1 1   -7    3   20 o  946.843   47.177   4.1801   0.4110   3.9445   0.5751   4.4261   0.5877  910.488   69.157  965.912   66.530 -55.42456 95.96312 
1 1 1   -7    3   21 o  436.793  111.602   0.9708   0.4502   1.3770   0.6558   0.6089   0.6191  512.587  136.582  372.105  137.167 140.4821 193.5702 
1 1 1   -7    3   22 o  161.753   76.327  -0.3153   0.2966  -0.2572   0.4237  -0.3711   0.4153  210.546   96.532  196.527   91.970 14.01907 133.3302 
1 1 1   -7    3   23 o  1116.75   71.056   5.9395   0.7264   6.3109   1.0533   5.6028   1.0030  1131.22  102.301  1064.46  103.719 66.76099 145.6820 
1 1 1   -7    3   24 o  294.130  108.194   0.3732   0.3849   0.6739   0.5564   0.0973   0.5330  370.457  130.874  277.331  118.330 93.12549 176.4373 
1 1 1   -7    3   25 o  248.872  103.046   0.1456   0.3856   0.5022   0.5664  -0.1623   0.5263  336.277  129.572  242.534  109.796 93.74284 169.8354 
1 1 1   -7    3   26 o  315.812  114.233   0.4947   0.4265   0.7541   0.6036   0.2361   0.6027  373.161  135.758  297.720  126.396 75.44131 185.4885 
1 1 1   -7    5    1 o  1688.78   42.685   13.157   0.6633   13.153   0.9367   13.162   0.9395  1686.21   60.368  1686.73   60.529 -0.5241699 85.48694 
1 1 1   -7    5    2 o  959.936   24.751   4.2435   0.2186   4.4791   0.2827   3.8929   0.3448  985.966   31.162  918.702   40.791 67.26392 51.33191 
1 1 1   -7    5    3 o  1166.19   23.305   6.2624   0.2501   6.1546   0.3507   6.3740   0.3567  1155.62   32.982  1176.04   32.962 -20.41943 46.62956 
1 1 1   -7    5    4 o  2571.43   23.561   30.448   0.5575   29.852   0.7744   31.090   0.8031  2545.04   33.069  2597.21   33.606 -52.16699 47.14825 
1 1 1   -7    5    5 o  350.033   40.501   0.5726   0.1280   0.4984   0.1837   0.6427   0.1785  322.526   64.171  369.053   54.184 -46.52777 83.98651 
1 1 1   -7    5    6 f  1591.84   26.963   11.670   0.3949   11.460   0.5547   11.886   0.5625  1576.63   38.234  1605.72   38.069 -29.09155 53.95472 
1 1 1   -7    5    7 o  786.393   32.592   2.8488   0.2358   2.6950   0.3297   3.0099   0.3375  762.895   47.201  806.559   45.658 -43.66388 65.67036 
1 1 1   -7    5    8 o  395.069   50.245   0.7316   0.1785   0.7887   0.2587   0.6797   0.2466  406.983   71.712  376.835   73.766 30.14777 102.8789 
1 1 1   -7    5    9 o  341.279   68.592   0.5580   0.2079   1.0792   0.3467   0.2650   0.2599  475.814   82.146  254.622   89.491 221.1919 121.4767 
1 1 1   -7    5   10 o  1739.96   39.955   13.964   0.6397   13.770   0.9034   14.159   0.9059  1725.58   56.897  1749.88   56.263 -24.29858 80.01747 
1 1 1   -7    5   11 f  1969.70   33.368   17.898   0.6048   17.802   0.8521   17.996   0.8585  1961.77   47.203  1972.38   47.304 -10.60840 66.82638 
1 1 1   -7    5   12 o  1252.38   52.803   7.2886   0.6085   7.9572   0.7668   6.1515   1.0000  1305.58   63.829  1133.65   96.788 171.9341 115.9404 
1 1 1   -7    5   13 o  1489.05   34.289   10.257   0.4698   10.273   0.6207   10.237   0.7189  1487.12   45.359  1482.05   52.717 5.069214 69.54539 
1 1 1   -7    5   14 o  447.451   64.805   0.9619   0.2591   1.1373   0.3418   0.7251   0.3971  482.537   79.764  378.651  108.438 103.8865 134.6149 
1 1 1   -7    5   15 o  600.515   49.788   1.6987   0.2726   1.3012   0.3707   2.1670   0.4024  514.844   80.919  673.316   65.785 -158.4715 104.2855 
1 1 1   -7    5   16 o  644.501   48.865   1.9561   0.2876   1.8856   0.4115   2.0235   0.4023  623.997   73.041  648.585   68.435 -24.58740 100.0916 
1 1 1   -7    5   17 o  498.736   62.124   1.1941   0.2789   1.6041   0.4099   0.8404   0.3807  572.091   80.053  404.214  102.263 167.8777 129.8701 
1 1 1   -7    5   18 o  486.707   65.206   1.1414   0.2847   1.0079   0.3954   1.2852   0.4102  444.707   99.156  506.901   91.305 -62.19446 134.7907 
1 1 1   -7    5   19 o  1224.29   41.145   6.9752   0.4635   7.3789   0.6676   6.5996   0.6440  1252.27   57.940  1183.75   59.126 68.51807 82.78276 
1 1 1   -7    5   20 o  515.465   74.951   1.2864   0.3451   0.8566   0.4805   1.7443   0.4959  409.105  119.895  594.393   93.787 -185.2876 152.2196 
1 1 1   -7    5   21 o  698.180   81.227   2.3505   0.5121   3.5016   0.8563   1.7097   0.6389  837.286  114.119  576.671  124.083 260.6144 168.5820 
1 1 1   -7    5   22 o  1453.22   43.620   9.8212   0.5833   9.3558   0.8268   10.282   0.8230  1409.85   63.730  1479.68   60.448 -69.83362 87.83826 
1 1 1   -7    5   23 o  823.322   85.040   3.2941   0.6350   2.7669   0.8490   3.9632   0.9565  727.858  131.615  881.323  121.153 -153.4642 178.8869 
1 1 1   -7    5   24 o  467.614   97.472   1.1152   0.4058   0.7881   0.5640   1.4662   0.5844  390.725  132.043  524.787  123.133 -134.0621 180.5464 
1 1 1   -7    5   25 o  657.704   74.184   2.1226   0.4411   1.8323   0.6061   2.4497   0.6433  584.914  116.695  687.058  105.090 -102.1442 157.0402 
1 1 1   -7    5   26 o  264.435  107.513   0.2331   0.4100  -0.0226   0.5452   0.5659   0.6220  256.771  114.338  343.170  134.770 -86.39963 176.7371 
1 1 1   -7    7    1 o  489.005   39.946   1.1104   0.1782   1.1380   0.1998   1.0030   0.3940  494.560   44.368  454.985   97.076 39.57520 106.7343 
1 1 1   -7    7    2 o  992.742   29.158   4.5406   0.2664   4.5502   0.3796   4.5312   0.3738  993.084   41.539  991.050   40.994 2.034607 58.36112 
1 1 1   -7    7    3 o  2139.94   23.000   21.087   0.4529   20.904   0.6442   21.265   0.6368  2129.69   32.872  2148.12   32.218 -18.43091 46.02800 
1 1 1   -7    7    4 o  2764.22   23.739   35.185   0.6038   35.811   0.8673   34.595   0.8412  2787.51   33.812  2739.82   33.365 47.68237 47.50228 
1 1 1   -7    7    5 o  329.462   43.930   0.5095   0.1299   0.5130   0.1864   0.5063   0.1811  327.390   64.156  325.419   62.738 1.971161 89.73326 
1 1 1   -7    7    6 o  2306.26   26.526   24.492   0.5629   24.265   0.7955   24.719   0.7966  2294.57   37.678  2315.98   37.381 -21.40332 53.07561 
1 1 1   -7    7    7 o  3081.14   27.370   43.714   0.7760   42.761   1.0769   44.743   1.1191  3046.12   38.422  3115.84   39.032 -69.72144 54.76944 
1 1 1   -7    7    8 o  2320.92   31.526   24.812   0.6733   24.120   1.0283   25.331   0.8908  2286.46   48.874  2344.11   41.297 -57.65137 63.98515 
1 1 1   -7    7    9 f  2434.48   37.310   27.322   0.8358   27.527   1.1859   27.120   1.1781  2441.13   52.794  2423.02   52.840 18.10620 74.69448 
1 1 1   -7    7   10 o  2509.66   31.535   29.039   0.7282   28.125   1.0062   30.044   1.0554  2467.36   44.318  2549.97   44.978 -82.61304 63.14351 
1 1 1   -7    7   11 o  938.727   41.784   4.0764   0.3609   4.6320   0.4892   3.4127   0.5347  997.530   53.489  852.329   68.762 145.2012 87.11681 
1 1 1   -7    7   12 o  828.834   53.334   3.2113   0.4046   3.5591   0.5711   2.8609   0.5733  867.217   72.221  773.756   81.762 93.46039 109.0918 
1 1 1   -7    7   13 o  246.330   81.081   0.2791   0.2129   0.4195   0.2870   0.1073   0.3174  296.064   93.875  229.821   94.151 66.24304 132.9549 
1 1 1   -7    7   14 o  557.106   53.576   1.4674   0.2713   1.5855   0.3702   1.3304   0.3986  573.461   71.721  519.218   86.479 54.24237 112.3499 
1 1 1   -7    7   15 o  286.890   83.916   0.4074   0.2356   0.4441   0.2972   0.3455   0.3865  300.986   95.526  288.938  108.007 12.04880 144.1895 
1 1 1   -7    7   16 o  204.277   84.552   0.0749   0.2595   0.2249   0.3384  -0.1390   0.4041  255.136   99.636  215.759   97.073 39.37682 139.1063 
1 1 1   -7    7   17 o  198.264   83.272   0.0477   0.2571  -0.1441   0.3300   0.3440   0.4102  192.450   87.046  292.198  110.821 -99.74881 140.9199 
1 1 1   -7    7   18 o  291.758   94.154   0.4121   0.2878   0.1080   0.3721   0.8644   0.4539  242.387  100.868  407.499  115.663 -165.1122 153.4671 
1 1 1   -7    7   19 o  806.701   49.969   3.0547   0.3691   2.7200   0.5194   3.3961   0.5246  751.151   76.204  843.765   68.147 -92.61346 102.2301 
1 1 1   -7    7   20 o  238.120   98.356   0.1060   0.3500   0.4193   0.5155  -0.1620   0.4768  326.088  124.107  235.714  105.797 90.37433 163.0818 
1 1 1   -7    7   21 o  565.940   80.386   1.5529   0.4068   1.1461   0.5397   2.0883   0.6192  471.081  123.136  646.166  107.941 -175.0848 163.7489 
1 1 1   -7    7   22 o  1267.32   47.307   7.4879   0.5517   7.9213   0.7987   7.0923   0.7629  1293.18   67.350  1223.09   68.059 70.09143 95.75022 
1 1 1   -7    7   23 o  372.087  124.303   0.6921   0.4998  -0.0891   0.6665   1.6954   0.7553  285.353  126.776  557.058  145.697 -271.7055 193.1313 
1 1 1   -7    7   24 o  450.629  100.187   1.0479   0.4047   0.9264   0.5539   1.1872   0.5927  415.199  130.246  465.782  132.163 -50.58344 185.5563 
1 1 1   -7    7   25 o  268.895  106.887   0.2611   0.3957   0.1875   0.5549   0.3372   0.5643  286.146  121.370  307.810  125.753 -21.66397 174.7697 
1 1 1   -7    7   26 o  496.367  167.023   1.6297   0.9023   2.8470   1.4770   0.9049   1.1398  587.849  212.593  408.167  173.567 179.6826 274.4473 
1 1 1   -7    9    1 o  707.346   29.871   2.3050   0.1944   2.2677   0.2773   2.3411   0.2726  699.754   43.283  711.183   41.846 -11.42963 60.20392 
1 1 1   -7    9    2 f  384.332   39.060   0.6881   0.1362   0.6237   0.2013   0.7424   0.1850  362.074   62.690  397.627   51.793 -35.55353 81.31754 
1 1 1   -7    9    3 o  2545.10   29.235   29.837   0.6847   30.574   0.9974   29.180   0.9415  2574.74   42.101  2515.57   40.673 59.17017 58.53854 
1 1 1   -7    9    4 o  929.323   31.325   3.9784   0.2679   4.1719   0.4180   3.8436   0.3489  949.661   47.992  913.011   41.532 36.65021 63.46767 
1 1 1   -7    9    5 o  3561.70   27.951   58.419   0.9160   59.675   1.5065   57.682   1.1539  3597.06   45.515  3538.17   35.442 58.89429 57.68643 
1 1 1   -7    9    6 o  1796.10   28.451   14.856   0.4702   14.840   0.6874   14.870   0.6447  1794.17   41.635  1796.21   39.004 -2.039429 57.05050 
1 1 1   -7    9    7 o  1149.21   40.427   6.0886   0.4275   6.7788   0.6281   5.4930   0.5835  1211.44   56.348  1088.80   58.454 122.6373 81.19078 
1 1 1   -7    9    8 o  1241.07   32.491   7.0977   0.3710   6.4973   0.5184   7.7282   0.5313  1186.34   47.493  1294.10   44.614 -107.7595 65.16129 
1 1 1   -7    9    9 o  1175.44   42.247   6.3809   0.4569   6.7709   0.6712   6.0440   0.6238  1208.45   60.360  1140.32   59.662 68.12891 84.86920 
1 1 1   -7    9   10 o  829.832   40.003   3.1836   0.3055   3.3619   0.4445   3.0241   0.4204  848.740   57.255  804.799   57.145 43.94183 80.89317 
1 1 1   -7    9   11 o  1465.79   37.938   9.9430   0.5117   9.8166   0.6653   10.126   0.8006  1453.39   49.750  1473.11   59.059 -19.72412 77.22113 
1 1 1   -7    9   12 o  127.967   62.786  -0.4969   0.2531  -0.5690   0.3369  -0.4035   0.3834  153.805   74.803  183.630   86.690 -29.82532 114.5021 
1 1 1   -7    9   13 o  1045.90   41.936   5.0888   0.4036   4.5978   0.5605   5.6174   0.5816  985.916   62.102  1091.93   58.092 -106.0169 85.03751 
1 1 1   -7    9   14 o  482.277   68.603   1.1265   0.2959   0.8969   0.4175   1.3581   0.4193  416.396  108.037  521.610   90.656 -105.2143 141.0337 
1 1 1   -7    9   15 o  902.496   45.037   3.8075   0.3740   3.8652   0.5015   3.7353   0.5614  901.607   60.808  881.783   69.755 19.82330 92.53870 
1 1 1   -7    9   16 f  659.042   53.303   2.0556   0.3205   2.2231   0.4312   1.8490   0.4790  678.881   70.033  610.521   87.790 68.35950 112.3018 
1 1 1   -7    9   17 o  386.070   84.744   0.7485   0.2928   1.4999   0.4182   0.0261   0.4101  550.420   85.333  239.070  102.936 311.3507 133.7072 
1 1 1   -7    9   18 o  462.494   75.750   1.0480   0.3112   0.4953   0.4006   1.8887   0.4941  322.750  111.247  617.819   89.530 -295.0687 142.7990 
1 1 1   -7    9   19 o  1028.71   48.942   4.9436   0.4633   5.1530   0.6216   4.6820   0.6949  1042.34   65.133  987.469   77.088 54.86932 100.9196 
1 1 1   -7    9   20 o  216.745   98.424  -0.2070   0.4269  -0.2067   0.6119  -0.2073   0.5960  264.694  119.237  260.927  117.593 3.767792 167.4682 
1 1 1   -7    9   21 o  1219.71   48.580   6.9379   0.5452   6.9604   0.7238   6.9083   0.8290  1213.64   65.053  1203.76   75.217 9.878418 99.44611 
1 1 1   -7    9   22 o  1115.12   65.032   5.8941   0.6644   6.0100   0.8293   5.6864   1.1102  1117.01   81.240  1062.77  115.381 54.24353 141.1121 
1 1 1   -7    9   23 o  258.226  106.366   0.1553   0.4079   1.2350   0.6392  -0.5867   0.5298  476.492  137.896  209.088   99.633 267.4042 170.1234 
1 1 1   -7    9   24 o  595.969   81.208   1.7619   0.4337   1.5202   0.6191   1.9949   0.6079  525.546  128.983  616.629  111.223 -91.08289 170.3145 
1 1 1   -7    9   25 o  578.255   90.929   1.7179   0.4679   1.3077   0.6575   2.1385   0.6658  470.439  140.868  623.691  120.377 -153.2520 185.2953 
1 1 1   -7    9   26 o  478.042  188.798   1.6929   1.2270   0.0000   0.0000   1.6929   1.2270  ?   ?   478.042  188.798 0.000000 188.7976 
1 1 1   -7   11    1 o  1984.34   29.050   18.136   0.5304   18.159   0.7492   18.112   0.7511  1984.58   41.024  1981.97   41.185 2.606567 58.13096 
1 1 1   -7   11    2 o  3055.44   29.033   42.997   0.8163   43.200   1.1629   42.800   1.1460  3061.00   41.288  3046.85   40.875 14.15552 58.09922 
1 1 1   -7   11    3 o  1838.41   30.791   15.568   0.5209   16.031   0.7571   15.152   0.7177  1864.38   44.133  1812.68   43.029 51.69995 61.63759 
1 1 1   -7   11    4 o  1504.08   32.803   10.422   0.4540   10.115   0.6492   10.716   0.6351  1480.66   47.649  1524.22   45.284 -43.55664 65.73519 
1 1 1   -7   11    5 f  374.144   61.121   0.6638   0.2032   0.4095   0.3195   0.8364   0.2632  302.621   99.313  419.359   70.730 -116.7378 121.9256 
1 1 1   -7   11    6 o  1736.34   39.731   13.903   0.6348   13.002   1.0218   14.469   0.8101  1675.75   66.263  1770.19   49.734 -94.43860 82.85118 
1 1 1   -7   11    7 o  2430.30   32.138   27.226   0.7187   27.088   1.1318   27.318   0.9303  2420.74   50.812  2432.90   41.557 -12.15601 65.64164 
1 1 1   -7   11    8 o  346.219   68.605   0.5769   0.2108   0.8005   0.3393   0.4361   0.2691  405.088   92.986  302.756   89.995 102.3317 129.4044 
1 1 1   -7   11    9 o  714.928   60.179   2.3959   0.3922   1.7940   0.6955   2.6766   0.4749  597.554  130.174  753.755   69.248 -156.2013 147.4467 
1 1 1   -7   11   10 o  464.752   66.486   1.0317   0.2762   0.8051   0.4029   1.2328   0.3795  401.481  107.083  503.659   84.896 -102.1775 136.6531 
1 1 1   -7   11   11 o  1258.41   46.390   7.3684   0.5372   7.7657   0.7556   6.9624   0.7638  1285.44   63.879  1213.38   68.694 72.06641 93.80516 
1 1 1   -7   11   12 o  581.414   55.988   1.6000   0.2958   2.1207   0.4452   1.1883   0.3959  663.725   74.164  488.550   91.420 175.1745 117.7199 
1 1 1   -7   11   13 o  597.625   54.798   1.6927   0.2980   1.4271   0.4209   1.9596   0.4219  535.810   88.458  636.396   73.398 -100.5864 114.9438 
1 1 1   -7   11   14 o  229.342   88.601   0.1843   0.2654   0.1339   0.3643   0.2413   0.3873  243.809  100.488  268.010  106.001 -24.20099 146.0618 
1 1 1   -7   11   15 o  527.587   66.421   1.3454   0.3153   1.7624   0.4577   0.9689   0.4349  596.104   85.934  430.200  109.574 165.9039 139.2520 
1 1 1   -7   11   16 o  181.504   80.550  -0.0692   0.2684   0.1311   0.3808  -0.2667   0.3782  247.411  102.425  193.291   89.542 54.11948 136.0469 
1 1 1   -7   11   17 o  380.679   83.982   0.7273   0.2863   0.5557   0.3692   0.9861   0.4534  333.412  106.549  434.289  112.538 -100.8774 154.9758 
1 1 1   -7   11   18 o  1038.84   46.024   5.0389   0.4399   5.2687   0.5847   4.7391   0.6680  1055.07   60.476  993.811   73.568 61.25800 95.23428 
1 1 1   -7   11   19 o  525.563   76.114   1.3399   0.3574   1.2513   0.4719   1.4591   0.5473  496.324  106.508  533.317  114.913 -36.99265 156.6812 
1 1 1   -7   11   20 o  426.290  113.526   0.9305   0.4533   1.2608   0.6729   0.6562   0.6133  488.078  141.559  377.811  136.932 110.2673 196.9495 
1 1 1   -7   11   21 o  754.992   62.918   2.7040   0.4331   2.9987   0.5866   2.3508   0.6422  787.280   82.190  685.419  105.180 101.8613 133.4844 
1 1 1   -7   11   22 o  952.567   72.461   4.3522   0.6304   4.7761   0.8097   3.7000   1.0044  987.420   90.111  837.744  134.867 149.6755 162.2015 
1 1 1   -7   11   23 o  320.906  118.257   0.4693   0.4601   0.6201   0.6544   0.3219   0.6471  366.156  139.715  323.723  133.723 42.43344 193.3965 
1 1 1   -7   11   24 o  631.128   82.802   1.9944   0.4693   2.3340   0.6553   1.6371   0.6723  663.359  111.305  535.386  136.150 127.9736 175.8568 
1 1 1   -7   11   25 o  682.834   94.332   2.4246   0.5769   2.4356   0.8530   2.4153   0.7831  632.302  149.041  643.086  136.562 -10.78455 202.1450 
1 1 1   -7   13    1 o  1760.69   45.327   14.308   0.7343   0.0000   0.0000   14.308   0.7343  ?   ?   1760.69   45.327 0.000000 45.32663 
1 1 1   -7   13    2 o  1840.29   44.963   15.631   0.7614   0.0000   0.0000   15.631   0.7614  ?   ?   1840.29   44.963 0.000000 44.96254 
1 1 1   -7   13    3 o  1100.66   37.530   5.5865   0.3801   5.6112   0.6072   5.5706   0.4874  1099.47   60.247  1098.27   48.232 1.203613 77.17492 
1 1 1   -7   13    4 o  1147.21   38.808   6.0717   0.4097   5.8982   0.6564   6.1824   0.5243  1126.36   63.595  1156.66   49.262 -30.29797 80.44263 
1 1 1   -7   13    5 o  1341.55   35.906   8.3027   0.4432   8.2189   0.6382   8.3808   0.6160  1332.78   52.042  1346.18   49.733 -13.39258 71.98391 
1 1 1   -7   13    6 o  579.636   47.240   1.5647   0.2498   1.4274   0.3588   1.6937   0.3479  548.711   72.868  600.342   63.961 -51.63037 96.95773 
1 1 1   -7   13    7 o  1036.86   41.803   4.9739   0.3988   5.1526   0.5754   4.8087   0.5533  1050.62   59.767  1014.91   59.508 35.71741 84.34039 
1 1 1   -7   13    8 o  712.461   61.767   2.3883   0.4009   2.0275   0.7450   2.5353   0.4757  631.755  132.398  731.525   71.583 -99.76984 150.5108 
1 1 1   -7   13    9 o  1119.53   45.802   5.8251   0.4718   5.6431   0.6476   6.0311   0.6888  1094.68   64.581  1131.04   66.476 -36.35986 92.68078 
1 1 1   -7   13   10 o  524.929   59.606   1.3092   0.2828   1.3614   0.4642   1.2784   0.3566  521.514  100.385  513.011   78.002 8.502625 127.1274 
1 1 1   -7   13   11 o  527.602   74.691   1.3522   0.3525   1.6424   0.4989   1.0629   0.4980  572.429   98.262  451.320  118.436 121.1093 153.8912 
1 1 1   -7   13   12 o  363.646   84.421   0.6652   0.2771   0.6664   0.4198   0.6643   0.3688  361.264  113.404  360.066  104.899 1.197906 154.4807 
1 1 1   -7   13   13 o  557.531   68.564   1.5059   0.3443   1.1512   0.5528   1.7307   0.4402  461.763  126.402  591.667   83.143 -129.9042 151.2954 
1 1 1   -7   13   14 o  806.519   55.282   3.0843   0.4078   3.0613   0.6349   3.1004   0.5320  785.191   89.479  799.915   73.087 -14.72382 115.5344 
1 1 1   -7   13   15 f  844.866   57.319   3.3889   0.4430   2.7325   0.6846   3.8616   0.5810  732.464  104.536  894.846   71.148 -162.3817 126.4510 
1 1 1   -7   13   16 o  708.739   61.367   2.3975   0.3963   2.5520   0.6047   2.2812   0.5246  714.719   94.249  679.825   85.767 34.89441 127.4317 
1 1 1   -7   13   17 o  324.696  103.906   0.5230   0.3510   0.0195   0.5193   0.9465   0.4763  264.698  114.897  424.614  117.783 -159.9157 164.5420 
1 1 1   -7   13   18 o  256.288   96.921   0.2495   0.3131   0.2928   0.4235   0.1972   0.4651  286.679  111.602  278.933  114.080 7.746368 159.5908 
1 1 1   -7   13   19 f  896.045   64.225   3.8046   0.5260   3.2211   0.7029   4.5474   0.7931  809.493   96.253  966.955   90.174 -157.4614 131.8938 
1 1 1   -7   13   20 o  337.253  104.955   0.5627   0.3605   1.6270   0.5334  -0.3320   0.4890  567.646  106.014  220.995  102.181 346.6509 147.2408 
1 1 1   -7   13   21 o  729.982   64.729   2.5404   0.4303   2.9929   0.6032   2.0715   0.6140  783.342   85.046  638.873  108.312 144.4685 137.7109 
1 1 1   -7   13   22 o  264.917  119.141  -0.1456   0.6080  -0.2979   0.7206   0.2307   1.1327  274.598  125.897  379.434  167.079 -104.8362 209.2020 
1 1 1   -7   13   23 o  343.758  114.339   0.6108   0.4230   0.7648   0.5736   0.4273   0.6261  379.868  132.991  330.679  133.424 49.18900 188.3840 
1 1 1   -7   13   24 o  372.725  119.749   0.7691   0.4659   1.2341   0.6302   0.2086   0.6918  456.486  138.177  305.833  132.686 150.6528 191.5682 
1 1 1   -7   15    1 o  313.576   64.417   0.4743   0.1797   0.3863   0.2426   0.5811   0.2673  285.097   85.616  345.026   84.793 -59.92813 120.4985 
1 1 1   -7   15    2 o  574.845   43.998   1.5380   0.2310   1.3654   0.3141   1.7411   0.3408  537.661   64.789  608.688   61.701 -71.02759 89.46827 
1 1 1   -7   15    3 o  891.367   38.276   3.6725   0.3139   3.6057   0.4411   3.7410   0.4469  879.451   54.783  895.919   54.467 -16.46747 77.25203 
1 1 1   -7   15    4 o  1344.97   36.225   8.3607   0.4483   8.9853   0.6522   7.8011   0.6173  1391.22   50.946  1296.12   51.757 95.09387 72.62430 
1 1 1   -7   15    5 o  1730.27   36.203   13.845   0.5764   13.987   0.8281   13.713   0.8028  1734.37   51.889  1717.68   50.792 16.69055 72.61070 
1 1 1   -7   15    6 o  401.478   79.050   0.7871   0.2816   1.6327   0.6517   0.5928   0.3123  565.185  128.247  346.340   95.097 218.8459 159.6581 
1 1 1   -7   15    7 o  492.403   87.747   1.1900   0.3830   1.3399   0.7408   1.1353   0.4474  504.617  149.160  475.129  105.124 29.48813 182.4827 
1 1 1   -7   15    8 o  390.865  101.204   0.7719   0.3669   0.6368   0.6559   0.8334   0.4425  378.999  140.895  404.234  114.029 -25.23474 181.2566 
1 1 1   -7   15    9 f  421.992   74.523   0.8720   0.2788   0.8364   0.3931   0.9080   0.3954  404.304  104.808  421.736  102.822 -17.43198 146.8232 
1 1 1   -7   15   10 o  359.948  104.149   0.6628   0.3646   0.7892   0.4276   0.3260   0.6981  389.977  112.767  335.036  138.683 54.94125 178.7444 
1 1 1   -7   15   11 o  302.500   96.118   0.4534   0.3008   0.8789   0.4442   0.0932   0.4087  408.394  113.909  247.656  104.555 160.7379 154.6187 
1 1 1   -7   15   12 o  249.645   94.095   0.2481   0.2945  -0.3203   0.4294   0.7530   0.4047  202.476   94.346  378.962  109.746 -176.4861 144.7255 
1 1 1   -7   15   13 o  488.175   77.025   1.1781   0.3345   1.0265   0.5267   1.2805   0.4331  435.271  124.949  499.696   97.694 -64.42499 158.6074 
1 1 1   -7   15   14 o  821.014   55.876   3.1999   0.4196   3.2736   0.6846   3.1555   0.5311  808.693   93.738  807.029   72.281 1.663391 118.3700 
1 1 1   -7   15   15 o  704.324   62.450   2.3744   0.4005   1.5764   0.5887   3.0620   0.5465  544.155  120.738  793.605   75.757 -249.4495 142.5374 
1 1 1   -7   15   16 o  651.220   71.085   2.0506   0.4190   2.2437   0.6815   1.9331   0.5314  656.399  117.125  620.019   96.260 36.38049 151.6055 
1 1 1   -7   15   17 o  307.688  105.445   0.4464   0.3597   0.4252   0.5757   0.4600   0.4607  332.200  129.894  322.566  118.411 9.634003 175.7659 
1 1 1   -7   15   18 o  591.676   80.255   1.7035   0.4257   1.3071   0.6769   1.9628   0.5474  493.869  141.619  628.035   97.924 -134.1664 172.1778 
1 1 1   -7   15   19 o  518.644  134.202   1.4290   0.6454   0.0000   0.0000   1.4290   0.6454  ?   ?   518.644  134.202 0.000000 134.2025 
1 1 1   -7   15   20 o  541.981   88.683   1.4557   0.4270   0.7289   0.5743   2.3539   0.6385  383.656  133.136  683.603  104.846 -299.9473 169.4633 
1 1 1   -7   15   21 o  532.169  105.080   1.4565   0.4963   0.9849   0.6159   2.3296   0.8381  428.237  137.699  650.334  143.866 -222.0969 199.1441 
1 1 1   -7   15   22 o  640.419  105.796   2.1290   0.6017   2.2533   0.8508   2.0047   0.8510  624.982  149.882  583.508  155.626 41.47473 216.0651 
1 1 1   -7   15   23 o  452.042  112.096   1.1194   0.4640   2.1410   0.6968   0.3053   0.6219  617.832  126.807  308.494  129.538 309.3386 181.2740 
1 1 1   -7   15   24 o  310.145  127.805   0.3953   0.5892   0.2554   0.6565   0.9745   1.3359  301.144  129.953  410.282  181.013 -109.1382 222.8304 
1 1 1   -7   17    1 o  633.447   52.231   1.8855   0.3017   2.1555   0.3802   1.4259   0.4960  674.845   61.912  533.142  104.838 141.7032 121.7540 
1 1 1   -7   17    2 o  1699.61   39.854   13.405   0.6233   13.444   0.7879   13.339   1.0189  1697.74   50.435  1683.10   65.792 14.63867 82.89909 
1 1 1   -7   17    3 o  959.102   44.213   4.2780   0.3902   4.2343   0.4967   4.3485   0.6305  949.168   57.140  955.986   72.213 -6.817932 92.08566 
1 1 1   -7   17    4 o  851.924   46.460   3.3905   0.3628   3.5918   0.4756   3.1103   0.5612  872.740   59.582  805.367   76.646 67.37225 97.08086 
1 1 1   -7   17    5 o  454.231   65.766   0.9930   0.2669   1.3070   0.3574   0.5974   0.4012  518.491   77.282  347.876  111.059 170.6150 135.3019 
1 1 1   -7   17    6 f  834.619   50.912   3.2721   0.3891   3.2229   0.5090   3.3413   0.6037  821.783   67.920  831.232   79.908 -9.448669 104.8737 
1 1 1   -7   17    7 o  1042.83   52.912   5.1187   0.5061   5.5678   0.9866   4.9584   0.5895  1055.92  102.847  1021.53   63.026 34.38776 120.6225 
1 1 1   -7   17    8 o  364.934   82.328   0.6692   0.2699   0.2990   0.3764   1.0608   0.3871  276.933  105.894  456.556   95.235 -179.6229 142.4190 
1 1 1   -7   17    9 o  343.928   99.836   0.6076   0.3346   0.3773   0.3720   1.5828   0.7654  291.270  106.481  526.552  150.464 -235.2827 184.3303 
1 1 1   -7   17   10 o  626.453   82.024   1.9439   0.4615   1.9709   0.5408   1.8713   0.8851  622.049   97.695  560.906  162.262 61.14233 189.4021 
1 1 1   -7   17   11 o  314.600  110.482   0.4799   0.3960  -0.3123   0.7823   0.7529   0.4592  281.793  129.921  376.840  118.662 -95.04654 175.9551 
1 1 1   -7   17   12 o  509.979   99.580   1.3427   0.4505   1.2722   0.8973   1.3665   0.5210  467.072  166.071  506.307  114.503 -39.23441 201.7187 
1 1 1   -7   17   13 o  526.672   78.121   1.3718   0.3671   1.4459   0.5977   1.3270   0.4652  514.468  127.017  505.328  103.531 9.140411 163.8652 
1 1 1   -7   17   14 o  1003.90   53.576   4.7679   0.4931   5.5990   0.8194   4.2961   0.6174  1067.28   84.122  942.562   71.727 124.7136 110.5497 
1 1 1   -7   17   15 o  360.056  100.422   0.6673   0.3453   1.2869   0.5798   0.3270   0.4298  487.725  127.696  290.935  112.652 196.7905 170.2846 
1 1 1   -7   17   16 o  412.365  103.050   0.8752   0.3899   0.0261   0.6154   1.4446   0.5040  285.821  124.566  530.380  106.960 -244.5592 164.1868 
1 1 1   -7   17   17 o  456.837   97.834   1.0558   0.3989   0.8754   0.6451   1.1675   0.5075  414.043  141.216  473.499  117.123 -59.45673 183.4663 
1 1 1   -7   17   18 o  406.550  111.552   0.8514   0.4299  -0.0923   0.6454   1.6042   0.5764  281.263  124.866  557.380  116.157 -276.1168 170.5401 
1 1 1   -7   17   19 o  589.310  121.832   1.8168   0.6388   0.0000   0.0000   1.8168   0.6388  ?   ?   589.310  121.832 0.000000 121.8323 
1 1 1   -7   17   20 o  949.699   68.802   4.3298   0.5972   4.1262   0.9337   4.4708   0.7768  893.964  116.256  951.528   89.787 -57.56360 146.8914 
1 1 1   -7   17   21 o  425.247  128.132   0.9938   0.5428   0.8385   0.7009   1.2263   0.8579  398.316  146.079  458.983  162.468 -60.66696 218.4829 
1 1 1   -7   17   22 o  329.633  130.672   0.4864   0.5898  -0.2786   0.9163   1.0276   0.7708  298.928  138.797  418.473  153.228 -119.5450 206.7450 
1 1 1   -7   17   23 o  619.465  103.829   2.0706   0.5709   1.8161   0.9007   2.2415   0.7381  514.560  166.636  615.654  134.083 -101.0939 213.8823 
1 1 1   -7   19    1 o  451.306   64.892   0.9870   0.2617   1.4706   0.3712   0.5089   0.3691  548.243   75.598  321.310  106.803 226.9331 130.8508 
1 1 1   -7   19    2 o  434.731   67.426   0.9205   0.2610   0.7242   0.3507   1.1644   0.3908  374.919   99.856  480.101   91.802 -105.1813 135.6419 
1 1 1   -7   19    3 o  424.950   67.905   0.8814   0.2566   0.9279   0.3528   0.8292   0.3739  427.025   92.459  400.324  101.387 26.70068 137.2152 
1 1 1   -7   19    4 o  402.874   73.847   0.8028   0.2637   1.3610   0.3788   0.2779   0.3673  524.205   81.146  270.350  104.292 253.8550 132.1417 
1 1 1   -7   19    5 o  656.556   65.482   2.0767   0.3903   2.5378   0.7935   1.9296   0.4483  685.284  130.603  626.037   79.627 59.24670 152.9630 
1 1 1   -7   19    6 o  306.845  100.395   0.4686   0.3266   2.1451   0.8182   0.1509   0.3562  614.411  146.739  243.349   99.718 371.0625 177.4145 
1 1 1   -7   19    7 o  407.977   81.106   0.8385   0.2938   0.6409   0.4137   1.0394   0.4172  351.062  112.853  444.911  103.799 -93.84872 153.3299 
1 1 1   -7   19    8 o  222.136   87.154   0.1662   0.2599   0.3069   0.3872   0.0509   0.3506  277.274  107.049  224.397   95.861 52.87711 143.6971 
1 1 1   -7   19    9 o  639.545   80.509   2.0310   0.4633   1.4791   0.5154   4.3518   1.0570  528.164  109.644  890.680  133.050 -362.5156 172.4067 
1 1 1   -7   19   10 o  366.861   92.555   0.6973   0.3124   1.0460   0.4614   0.4019   0.4246  440.912  113.152  300.750  113.050 140.1617 159.9495 
1 1 1   -7   19   11 o  398.638   93.882   0.8229   0.3387   0.5142   0.4736   1.1461   0.4845  327.862  120.102  461.510  114.618 -133.6472 166.0181 
1 1 1   -7   19   12 o  744.856   63.914   2.6706   0.4338   2.2282   0.6065   3.1342   0.6208  656.931  103.774  793.467   86.426 -136.5357 135.0502 
1 1 1   -7   19   13 o  283.079  102.916   0.3597   0.3468   0.2887   0.5167   0.4180   0.4679  297.154  120.739  311.043  118.269 -13.88910 169.0135 
1 1 1   -7   19   14 o  795.533   68.391   3.0485   0.4958   2.3485   0.6998   3.7539   0.7025  668.758  118.032  870.478   88.953 -201.7196 147.7978 
1 1 1   -7   19   15 o  199.104   90.435  -0.1691   0.3607   0.2702   0.5914  -0.4293   0.4552  310.649  128.031  201.069   94.783 109.5800 159.2979 
1 1 1   -7   19   16 o  962.544   67.298   4.4198   0.5923   4.5207   1.3576   4.3961   0.6583  894.394  171.190  955.614   75.475 -61.21930 187.0895 
1 1 1   -7   19   17 o  308.234  120.610   0.3497   0.4966   0.0000   0.0000   0.3497   0.4966  ?   ?   308.234  120.610 0.000000 120.6104 
1 1 1   -7   19   18 f  511.810  142.281   1.4396   0.6943   0.0000   0.0000   1.4396   0.6943  ?   ?   511.810  142.281 0.000000 142.2813 
1 1 1   -7   19   19 o  241.652  105.412  -0.0047   0.4416   0.9182   0.7359  -0.5241   0.5521  417.118  150.168  218.343  103.366 198.7749 182.3042 
1 1 1   -7   19   20 o  943.578   82.167   4.4028   0.7063   4.8195   0.9604   3.9121   1.0423  961.571  110.560  837.155  140.267 124.4165 178.6010 
1 1 1   -7   19   21 o  457.348  126.890   1.1947   0.5528   1.0616   0.7916   1.3215   0.7722  421.884  155.164  462.374  154.519 -40.48950 218.9793 
1 1 1   -7   19   22 o  491.217  113.525   1.3597   0.5028   1.6695   0.7146   1.0557   0.7078  515.596  144.703  410.661  147.332 104.9348 206.5083 
1 1 1   -7   19   23 o  659.394  167.073   3.0225   1.0149   3.4964   1.3480   2.4022   1.5423  638.273  203.551  493.567  205.369 144.7069 289.1525 
1 1 1   -7   21    1 o  364.195   92.123   0.6918   0.3089   0.4927   0.4182   0.9309   0.4583  316.230  113.277  412.485  115.937 -96.25516 162.0895 
1 1 1   -7   21    2 o  491.444   72.127   1.1951   0.3165   0.9615   0.4196   1.5033   0.4820  423.174  107.531  535.617  101.508 -112.4422 147.8742 
1 1 1   -7   21    3 o  459.749   75.656   1.0554   0.3089   1.4688   0.4311   0.6191   0.4429  535.751   90.677  344.277  117.014 191.4742 148.0357 
1 1 1   -7   21    4 o  1122.94   59.358   6.0427   0.6112   6.3701   1.2065   5.9297   0.7088  1085.79  122.919  1103.70   70.160 -17.90784 141.5327 
1 1 1   -7   21    5 o  303.362  106.787   0.4519   0.3701   0.5325   0.8221   0.4315   0.4145  360.938  150.040  303.479  112.166 57.45853 187.3321 
1 1 1   -7   21    6 o  624.418   59.336   1.8789   0.3368   1.7969   0.4725   1.9637   0.4803  594.340   89.140  623.727   85.975 -29.38727 123.8450 
1 1 1   -7   21    7 o  467.672   79.680   1.1004   0.3306   1.1050   0.4677   1.0959   0.4674  451.111  112.934  449.099  113.147 2.012054 159.8637 
1 1 1   -7   21    8 o  713.233   77.258   2.5161   0.4989   2.3098   0.5650   3.2466   1.0632  672.277   93.899  733.629  161.840 -61.35205 187.1077 
1 1 1   -7   21    9 o  471.757   84.017   1.1267   0.3513   0.9843   0.4888   1.2791   0.5054  423.346  119.980  485.926  114.851 -62.57980 166.0897 
1 1 1   -7   21   10 o  392.913   96.374   0.8068   0.3458   1.1778   0.5115   0.4945   0.4693  464.149  119.154  322.621  119.325 141.5273 168.6295 
1 1 1   -7   21   11 o  783.211   64.540   2.9579   0.4610   3.1478   0.6884   2.8035   0.6207  786.314   97.217  744.908   92.550 41.40564 134.2261 
1 1 1   -7   21   12 o  248.457  102.392   0.1528   0.3782   0.7252   0.6494  -0.1409   0.4652  378.865  140.325  230.000  103.755 148.8648 174.5173 
1 1 1   -7   21   13 o  184.222   85.679  -0.2666   0.3515   0.3057   0.5914  -0.5793   0.4371  312.858  128.379  182.921   88.043 129.9373 155.6686 
1 1 1   -7   21   14 o  561.391   82.448   1.5544   0.4132   1.3965   0.6236   1.6781   0.5517  507.608  132.195  570.374  109.103 -62.76678 171.4028 
1 1 1   -7   21   15 o  544.056   88.194   1.4717   0.4264   2.4024   0.6646   0.8204   0.5559  686.298  108.868  397.876  131.025 288.4217 170.3519 
1 1 1   -7   21   16 o  255.630  106.023   0.1378   0.4092  -0.2642   0.5786   0.5399   0.5787  247.884  113.340  349.071  131.816 -101.1871 173.8427 
1 1 1   -7   21   17 o  255.425  114.369  -0.1194   0.5537   0.0000   0.0000  -0.1194   0.5537  ?   ?   255.425  114.369 0.000000 114.3694 
1 1 1   -7   21   18 o  663.955   94.746   2.2295   0.5624   1.9680   1.0891   2.3246   0.6568  558.194  183.372  667.713  110.781 -109.5185 214.2376 
1 1 1   -7   21   19 o  383.057  118.631   0.7973   0.4611   1.0053   0.7374   0.6636   0.5910  419.951  150.413  360.615  133.801 59.33658 201.3123 
1 1 1   -7   21   20 o  399.902  137.920   0.9332   0.6158   1.2620   0.8216   0.5117   0.9303  446.372  158.889  359.635  154.947 86.73663 221.9331 
1 1 1   -7   21   21 o  251.726  116.113  -0.1729   0.6259  -0.1037   1.3450  -0.1920   0.7072  339.487  160.898  263.979  122.343 75.50833 202.1286 
1 1 1   -7   21   22 o  512.802  212.154   2.8737   1.6324   2.8737   1.6324   0.0000   0.0000  512.802  212.154  ?   ?  0.000000 212.1545 
1 1 1   -7   23    1 o  199.816   89.299  -0.0719   0.3358   0.1740   0.4706  -0.3272   0.4794  266.047  112.247  211.412   98.897 54.63579 149.5997 
1 1 1   -7   23    2 o  652.321   87.236   2.1694   0.5105   2.2516   0.9617   2.1371   0.6024  587.846  168.865  632.349  107.369 -44.50323 200.1089 
1 1 1   -7   23    3 o  386.619  121.097   0.8329   0.4790   1.6396   0.9147   0.5282   0.5622  501.225  168.169  332.509  128.820 168.7167 211.8386 
1 1 1   -7   23    4 o  378.082   96.117   0.7573   0.3351   0.4679   0.4465   1.1304   0.5071  311.865  116.188  449.283  120.273 -137.4183 167.2280 
1 1 1   -7   23    5 o  273.984   98.313   0.3538   0.3152   0.7576   0.4348  -0.0931   0.4574  372.444  115.171  230.246  103.464 142.1985 154.8193 
1 1 1   -7   23    6 o  204.277   91.197  -0.0739   0.3493   0.2467   0.3867  -1.4917   0.8134  263.483  105.370  218.534  108.223 44.94885 151.0462 
1 1 1   -7   23    7 o  239.012   99.670   0.1299   0.3644   0.2307   0.4150  -0.2101   0.7618  266.270  108.199  281.283  129.140 -15.01300 168.4763 
1 1 1   -7   23    8 f  531.707   88.851   1.4429   0.4194   1.4673   0.6699   1.4272   0.5378  502.398  139.797  511.356  116.846 -8.957611 182.1984 
1 1 1   -7   23    9 o  348.282  106.473   0.6399   0.3728   0.6365   0.5844   0.6422   0.4842  356.107  132.869  351.282  122.227 4.824982 180.5368 
1 1 1   -7   23   10 o  218.948   93.627   0.0443   0.3350  -0.6856   0.4499   0.9524   0.5019  178.035   86.555  417.057  122.633 -239.0224 150.1017 
1 1 1   -7   23   11 o  595.679   82.608   1.7643   0.4406   2.1824   0.6561   1.4209   0.5947  642.887  115.135  508.780  127.324 134.1070 171.6615 
1 1 1   -7   23   12 o  283.038  104.664   0.3459   0.3610   0.9909   0.5337  -0.1979   0.4901  428.483  126.594  231.333  105.205 197.1496 164.6033 
1 1 1   -7   23   13 o  594.969   83.349   1.7485   0.4438   1.3285   0.6194   2.1916   0.6362  493.365  133.286  652.152  109.922 -158.7872 172.7655 
1 1 1   -7   23   14 o  454.529  107.515   1.0759   0.4426   1.3598   0.6511   0.8320   0.6035  497.336  137.618  399.553  136.588 97.78262 193.8941 
1 1 1   -7   23   15 o  229.409  100.904  -0.0409   0.4121   0.9647   0.6059  -0.9066   0.5622  422.635  136.651  195.750   95.517 226.8855 166.7247 
1 1 1   -7   23   16 o  336.021  118.882   0.5541   0.4593   0.1528   0.6385   0.9843   0.6611  300.250  128.847  423.474  142.960 -123.2239 192.4552 
1 1 1   -7   23   17 o  928.250  105.929   4.4647   0.8886   0.0000   0.0000   4.4647   0.8886  ?   ?   928.250  105.929 0.000000 105.9291 
1 1 1   -7   23   18 o  782.284   86.281   3.0971   0.6107   2.2845   0.8388   4.0139   0.8910  616.344  149.450  863.044  115.058 -246.7000 188.6095 
1 1 1   -7   23   19 o  800.572  103.063   3.4316   0.7416   3.4325   0.9345   3.4302   1.2187  760.323  138.686  689.455  187.256 70.86816 233.0209 
1 1 1   -7   23   20 o  304.009  126.490   0.4029   0.5850  -0.0838   0.8582   0.8253   0.7996  289.565  134.404  368.755  150.061 -79.19012 201.4518 
1 1 1   -7   25    1 o  202.107   91.662  -0.1262   0.3688   0.0380   0.5400  -0.2698   0.5049  261.345  115.206  222.378  103.174 38.96660 154.6523 
1 1 1   -7   25    2 o  752.011   67.713   2.7727   0.4635   2.1969   0.6151   3.5294   0.7052  639.386  108.423  826.392   94.428 -187.0067 143.7785 
1 1 1   -7   25    3 o  537.703   92.202   1.5006   0.4398   1.6677   0.6674   1.3725   0.5846  533.870  135.605  488.563  128.370 45.30695 186.7284 
1 1 1   -7   25    4 o  561.811   87.890   1.6169   0.4395   1.3383   0.6072   1.9234   0.6368  479.854  132.944  588.169  121.680 -108.3154 180.2221 
1 1 1   -7   25    5 o  566.198   99.981   1.6844   0.5018   1.8563   0.5787   1.1629   1.0078  586.672  111.271  436.784  171.548 149.8885 204.4743 
1 1 1   -7   25    6 o  346.940  105.889   0.6409   0.3690   0.4449   0.4659   0.9707   0.6043  310.553  118.030  412.052  136.650 -101.4983 180.5665 
1 1 1   -7   25    7 o  188.882   85.854  -0.1403   0.3258  -0.6010   0.4020   0.7426   0.5565  169.237   82.169  371.823  130.932 -202.5868 154.5795 
1 1 1   -7   25    8 o  323.735  106.535   0.5371   0.3676   0.1477   0.4982   1.0024   0.5445  271.183  115.011  424.185  128.457 -153.0024 172.4197 
1 1 1   -7   25    9 o  198.911   90.119  -0.1418   0.3554  -0.2584   0.4792   0.0008   0.5299  220.848  101.772  260.464  114.494 -39.61623 153.1875 
1 1 1   -7   25   10 o  237.423   97.380   0.1392   0.3401   0.2968   0.4765  -0.0245   0.4856  291.807  116.863  248.716  109.459 43.09122 160.1194 
1 1 1   -7   25   11 o  677.863   76.713   2.2485   0.4701   2.9759   0.6883   1.6128   0.6435  766.037  100.040  543.073  130.416 222.9640 164.3664 
1 1 1   -7   25   12 o  834.529   67.878   3.3543   0.5167   3.2264   0.7289   3.4834   0.7326  797.000  101.709  831.461   97.616 -34.46112 140.9736 
1 1 1   -7   25   13 o  174.090   83.245  -0.4547   0.3766  -0.9335   0.5398  -0.0006   0.5257  187.965   92.117  260.802  114.355 -72.83727 146.8424 
1 1 1   -7   25   14 o  859.071   74.186   3.5992   0.5807   3.5522   0.8403   3.6421   0.8034  823.368  113.962  840.306  106.277 -16.93793 155.8271 
1 1 1   -7   25   15 o  497.586  120.593   1.3588   0.5464   1.9280   0.9002   1.0268   0.6875  558.414  164.245  424.430  145.759 133.9843 219.5954 
1 1 1   -7   25   16 o  412.628  148.456   0.9942   0.7191   0.0000   0.0000   0.9942   0.7191  ?   ?   412.628  148.456 0.000000 148.4556 
1 1 1   -7   25   17 o  739.824   92.381   2.8481   0.6152   3.2563   0.9150   2.5113   0.8311  741.611  139.194  643.495  143.955 98.11530 200.2450 
1 1 1   -7   25   18 o  276.155  118.420   0.2219   0.5387   1.0311   0.7814  -0.5107   0.7435  397.164  152.407  246.208  117.517 150.9559 192.4532 
1 1 1   -7   25   19 o  377.057  154.350   0.9681   0.8523   0.9681   0.8523   0.0000   0.0000  377.057  154.350  ?   ?  0.000000 154.3495 
1 1 1   -7   27    1 o  989.872   77.764   4.8662   0.7026   5.4005   0.8310   3.5270   1.3157  1032.27   88.341  707.179  195.600 325.0904 214.6246 
1 1 1   -7   27    2 o  280.012  110.001   0.3165   0.4145   0.5776   0.5095  -0.1942   0.7126  337.196  124.414  272.592  125.057 64.60437 176.4035 
1 1 1   -7   27    3 o  363.837  120.446   0.7186   0.4696   0.8069   0.5213   0.3389   1.0808  381.730  126.939  363.716  161.521 18.01404 205.4330 
1 1 1   -7   27    4 o  592.039  100.597   1.8318   0.5284   1.5880   0.5894   2.8309   1.1932  535.324  122.321  644.745  188.935 -109.4205 225.0751 
1 1 1   -7   27    5 o  377.267  108.628   0.7633   0.3975   0.7720   0.4993   0.7483   0.6570  377.099  124.172  377.549  140.883 -0.4495850 187.7947 
1 1 1   -7   27    6 o  307.799  109.346   0.4596   0.3889   0.9952   0.5171  -0.2383   0.5902  424.401  124.379  248.103  113.819 176.2984 168.5969 
1 1 1   -7   27    7 o  1094.43   64.675   5.7621   0.6484   6.6702   0.9560   4.9885   0.8824  1154.08   90.758  990.566   98.101 163.5147 133.6443 
1 1 1   -7   27    8 o  487.661   96.660   1.2270   0.4184   1.4570   0.5685   0.9551   0.6181  517.740  121.423  415.678  138.219 102.0613 183.9781 
1 1 1   -7   27    9 o  563.589   90.324   1.6071   0.4526   1.2188   0.5962   2.1352   0.6953  467.343  132.534  627.890  124.742 -160.5472 182.0048 
1 1 1   -7   27   10 o  255.882  107.415   0.1336   0.4274  -0.0183   0.5661   0.3352   0.6520  266.001  117.570  322.581  133.818 -56.57919 178.1288 
1 1 1   -7   27   11 o  443.545  115.880   1.0652   0.4782   0.6384   0.6495   1.5700   0.7065  363.141  139.046  522.069  142.895 -158.9280 199.3806 
1 1 1   -7   27   12 o  591.589   96.612   1.8029   0.5078   1.6520   0.6836   1.9888   0.7584  537.268  137.648  587.577  141.880 -50.30963 197.6791 
1 1 1   -7   27   13 o  305.438  117.353   0.4173   0.4637   0.9206   0.6667  -0.0543   0.6453  402.932  143.158  273.956  123.011 128.9760 188.7486 
1 1 1   -7   27   14 o  315.811  119.748   0.4828   0.4788   0.7410   0.7702   0.3201   0.6113  374.507  149.048  306.693  128.586 67.81372 196.8499 
1 1 1   -7   27   15 o  215.677  103.879  -0.6473   0.6110   0.0000   0.0000  -0.6473   0.6110  ?   ?   215.677  103.879 0.000000 103.8793 
1 1 1   -7   27   16 o  398.789  129.331   0.9774   0.5424   0.1613   0.7242   2.0202   0.8187  293.404  131.130  545.577  155.511 -252.1739 203.4177 
1 1 1   -7   27   17 o  253.783  112.465   0.1004   0.5213   0.6956   0.8003  -0.3383   0.6871  344.527  145.924  242.871  115.075 101.6567 185.8388 
1 1 1   -7   27   18 o  398.504  186.326   1.7029   1.6980   1.7029   1.6980   0.0000   0.0000  398.504  186.326  ?   ?  0.000000 186.3261 
1 1 1   -7   29    1 o  420.241  132.299   1.0053   0.5709   0.9663   0.6556   1.1276   1.1611  410.932  142.270  439.061  179.992 -28.12897 229.4294 
1 1 1   -7   29    2 o  321.053  119.188   0.4974   0.4691   0.8355   0.6015  -0.0273   0.7493  388.719  136.176  294.641  132.409 94.07764 189.9375 
1 1 1   -7   29    3 o  821.257   75.134   3.3223   0.5615   4.3630   0.7739   2.1655   0.8159  927.391   91.895  605.992  147.677 321.3993 173.9343 
1 1 1   -7   29    4 f  391.642  118.004   0.8388   0.4604   0.6860   0.5762   1.1085   0.7655  362.806  132.542  434.706  153.513 -71.90015 202.8139 
1 1 1   -7   29    5 o  560.359  114.367   1.6934   0.5697   1.9660   0.6422   0.6858   1.2346  600.266  120.459  406.753  176.861 193.5128 213.9858 
1 1 1   -7   29    6 o  295.485  117.503   0.3405   0.4783   0.1125   0.5183   1.6489   1.2417  269.523  115.886  496.098  191.653 -226.5750 223.9656 
1 1 1   -7   29    7 o  1022.51   69.585   5.0912   0.6508   5.0425   0.8643   5.1550   0.9890  993.836   95.693  989.151  110.556 4.685120 146.2184 
1 1 1   -7   29    8 o  175.227   83.957  -0.4628   0.3874  -0.8808   0.4724   0.3954   0.6768  171.451   84.447  328.496  136.313 -157.0457 160.3515 
1 1 1   -7   29    9 o  826.367   76.329   3.3814   0.5738   3.7720   0.7965   2.9600   0.8274  848.454  104.213  729.032  128.017 119.4224 165.0720 
1 1 1   -7   29   10 o  345.245  119.319   0.6372   0.4610   0.0685   0.5903   1.5265   0.7382  274.871  120.836  498.919  149.227 -224.0481 192.0157 
1 1 1   -7   29   11 o  623.338   98.353   2.0497   0.5454   2.4139   0.7533   1.6485   0.7907  647.265  130.980  508.193  154.996 139.0719 202.9277 
1 1 1   -7   29   12 o  442.249  124.909   1.1491   0.5307   0.4327   0.7094   2.0596   0.7997  326.134  137.719  569.578  150.372 -243.4442 203.9068 
1 1 1   -7   29   13 o  387.321  131.094   0.9141   0.5559   1.5403   0.8659   0.4751   0.7251  465.000  163.360  326.976  138.717 138.0238 214.3104 
1 1 1   -7   29   14 o  290.603  125.540   0.2971   0.6140   1.0132   1.5328   0.1602   0.6702  388.016  179.932  282.808  126.285 105.2078 219.8266 
1 1 1   -7   29   15 o  545.253  133.454   1.9268   0.6641   0.9536   1.0361   2.6056   0.8653  366.047  160.520  605.226  154.767 -239.1787 222.9786 
1 1 1   -7   29   16 o  271.470  119.653   0.2484   0.5823  -0.1976   0.7160   1.1194   1.0006  249.923  118.135  370.006  160.049 -120.0827 198.9259 
1 1 1   -7   31    1 o  233.354  106.486  -0.1481   0.5076   0.3881   0.6593  -0.9282   0.7952  318.336  133.509  236.885  115.143 81.45090 176.3022 
1 1 1   -7   31    2 o  244.204  109.770  -0.0608   0.5154   0.5537   0.6653  -0.9827   0.8149  340.422  137.471  237.882  115.839 102.5401 179.7686 
1 1 1   -7   31    3 o  280.283  117.185   0.2475   0.5056   0.2568   0.6589   0.2342   0.7884  303.372  130.555  317.128  139.522 -13.75626 191.0780 
1 1 1   -7   31    4 o  656.438   97.452   2.2706   0.5708   1.2644   0.6940   4.3734   1.0033  450.974  146.293  877.482  128.027 -426.5070 194.4034 
1 1 1   -7   31    5 o  830.860   82.787   3.5049   0.6245   3.8053   0.8198   3.0896   0.9640  839.011  108.745  705.814  152.854 133.1978 187.5893 
1 1 1   -7   31    6 o  322.441  120.277   0.5366   0.4788   1.1254   0.6170  -0.3550   0.7592  430.096  137.770  263.535  123.654 166.5612 185.1237 
1 1 1   -7   31    7 o  650.539   96.493   2.2437   0.5601   1.4099   0.7222   3.5025   0.8873  468.351  148.948  778.844  128.278 -310.4925 196.5726 
1 1 1   -7   31    8 o  251.549  109.659   0.0935   0.4772   0.5546   0.6065  -0.6557   0.7731  330.488  132.031  244.405  117.498 86.08279 176.7429 
1 1 1   -7   31    9 o  164.238   80.557  -0.6848   0.4156  -0.7765   0.5023  -0.4858   0.7397  181.235   88.828  247.074  117.731 -65.83855 147.4824 
1 1 1   -7   31   10 o  553.301  143.009   1.9880   0.7334   1.6534   0.8389   3.0727   1.5105  476.088  161.041  543.923  211.029 -67.83484 265.4572 
1 1 1   -7   31   11 o  267.287  120.791   0.0719   0.6339  -0.0907   0.7026   0.7834   1.4695  262.949  121.895  368.353  172.580 -105.4049 211.2869 
1 1 1   -7   31   12 o  202.616   96.304  -0.3428   0.4886  -0.4892   0.6162  -0.0948   0.8021  217.603  104.684  270.511  126.984 -52.90883 164.5711 
1 1 1   -7   31   13 o  337.581  140.687   0.7807   0.7254   2.2016   1.5319   0.3700   0.8236  416.324  187.995  300.779  136.629 115.5447 232.3998 
1 1 1   -7   31   14 o  553.785  153.758   2.3794   0.8113   2.8850   0.9246   0.6865   1.6920  595.312  163.689  333.848  163.499 261.4641 231.3571 
1 1 1   -7   33    1 o  403.751  143.747   1.1265   0.6725   0.0253   0.9257   2.3574   0.9787  296.232  138.195  543.192  173.462 -246.9598 221.7812 
1 1 1   -7   33    2 o  370.575  135.465   0.8923   0.6020   0.1937   0.7978   1.8166   0.9176  296.734  134.668  477.806  168.146 -181.0721 215.4262 
1 1 1   -7   33    3 o  308.281  128.584   0.4726   0.6067  -0.3351   0.7960   1.5922   0.9372  258.773  122.971  444.444  167.767 -185.6707 208.0085 
1 1 1   -7   33    4 o  429.205  138.813   1.2447   0.6252   1.7503   0.8560   0.6666   0.9154  476.189  162.665  343.733  150.804 132.4557 221.8148 
1 1 1   -7   33    5 o  279.331  122.202   0.2526   0.5973  -0.0003   0.7737   0.6258   0.9398  276.922  128.210  339.173  150.622 -62.25116 197.7998 
1 1 1   -7   33    6 o  412.290  137.258   1.1654   0.6095   0.1143   0.8044   2.5823   0.9340  286.884  132.075  578.966  166.441 -292.0825 212.4769 
1 1 1   -7   33    7 o  340.650  133.294   0.7549   0.6066   0.6040   0.8059   0.9521   0.9214  325.876  142.269  360.799  154.801 -34.92331 210.2467 
1 1 1   -7   33    8 f  241.814  108.722   0.0712   0.5059   0.1104   0.6374   0.0045   0.8317  263.397  119.860  275.859  129.433 -12.46231 176.4072 
1 1 1   -7   33    9 o  279.381  121.562   0.3536   0.5840   1.1361   0.7787  -0.6523   0.8830  373.995  149.536  242.351  118.566 131.6444 190.8379 
1 1 1   -7   33   10 o  309.013  125.930   0.6219   0.5641   1.7210   0.7450  -0.8557   0.8638  457.515  151.724  228.601  112.898 228.9147 189.1195 
1 1 1   -7   33   11 f  213.503  101.612  -0.2483   0.5475  -0.9556   0.7168   0.7420   0.8482  202.395  100.467  317.815  141.984 -115.4198 173.9346 
1 1 1   -7   33   12 o  266.259  134.595  -1.3046   1.6005  -1.3046   1.6005   0.0000   0.0000  266.259  134.595  ?   ?  0.000000 134.5954 
1 1 1   -7   35    1 o  258.057  117.962   0.2191   0.6262  -0.0617   0.8050   0.6497   0.9968  253.308  121.278  304.785  142.587 -51.47649 187.1878 
1 1 1   -7   35    2 o  226.425  108.240  -0.2138   0.6358   0.1193   0.8365  -0.6696   0.9785  266.945  126.624  241.369  119.382 25.57597 174.0283 
1 1 1   -7   35    3 o  236.716  110.372   0.0082   0.5892   1.5220   0.7757  -2.0566   0.9060  402.558  152.471  192.513   97.743 210.0449 181.1113 
1 1 1   -7   35    4 o  382.289  139.260   1.2186   0.6355   1.5731   0.8069   0.6399   1.0311  402.018  154.725  304.261  143.190 97.75659 210.8152 
1 1 1   -7   35    5 o  410.165  177.279   2.3899   1.2257   2.2172   1.6128   2.6261   1.8857  361.635  172.741  361.567  176.100 0.6857300E-01 246.6789 
1 1 1   -7   35    6 o  517.435  134.943   2.0125   0.6492   0.7943   0.7916   4.5147   1.1345  311.544  138.298  689.408  177.707 -377.8645 225.1804 
1 1 1   -7   35    7 o  345.581  133.256   0.9961   0.5994   1.1285   0.7499   0.7617   0.9976  345.716  143.472  304.249  142.434 41.46719 202.1669 
1 1 1   -7   35    8 o  256.183  130.716  -1.7670   1.7800  -1.7670   1.7800   0.0000   0.0000  256.183  130.716  ?   ?  0.000000 130.7159 
1 1 1   -6    0    1 o  2013.47   34.835   18.681   0.6450   18.681   0.6450   18.681   0.6450  2013.47   34.835  2013.47   34.835 0.000000 0.000000 
1 1 1   -6    0    2 o  2935.60   35.782   39.695   0.9662   39.695   0.9662   39.695   0.9662  2935.60   35.782  2935.60   35.782 0.000000 0.000000 
1 1 1   -6    0    3 o  1486.06   39.288   10.191   0.5364   10.191   0.5364   10.191   0.5364  1486.06   39.288  1486.06   39.288 0.000000 0.000000 
1 1 1   -6    0    4 o  196.884   86.314   0.2569   0.1632   0.2569   0.1632   0.2569   0.1632  196.884   86.314  196.884   86.314 0.000000 0.000000 
1 1 1   -6    0    5 o  1767.85   43.873   14.426   0.7127   14.426   0.7127   14.426   0.7127  1767.85   43.873  1767.85   43.873 0.000000 0.000000 
1 1 1   -6    0    6 o  214.119   90.493   0.3000   0.1802   0.3000   0.1802   0.3000   0.1802  214.119   90.493  214.119   90.493 0.000000 0.000000 
1 1 1   -6    0    7 o  2046.20   33.489   19.296   0.6302   19.296   0.6302   19.296   0.6302  2046.20   33.489  2046.20   33.489 -0.000000 0.000000 
1 1 1   -6    0    8 f  388.927   66.901   0.7565   0.2182   0.7565   0.2182   0.7565   0.2182  388.927   66.901  388.927   66.901 -0.000000 0.000000 
1 1 1   -6    0    9 f  3555.87   35.209   58.234   1.1518   58.234   1.1518   58.234   1.1518  3555.87   35.209  3555.87   35.209 -0.000000 0.000000 
1 1 1   -6    0   10 o  289.887  126.259   0.5580   0.3494   0.5580   0.3494   0.5580   0.3494  289.887  126.259  289.887  126.259 -0.000000 0.000000 
1 1 1   -6    0   11 o  3449.15   38.193   54.834   1.2118   54.834   1.2118   54.834   1.2118  3449.15   38.193  3449.15   38.193 -0.000000 0.000000 
1 1 1   -6    0   12 o  635.386   82.456   1.9677   0.4597   1.9677   0.4597   1.9677   0.4597  635.386   82.456  635.386   82.456 -0.000000 0.000000 
1 1 1   -6    0   13 o  509.372   87.890   1.3133   0.3752   1.3133   0.3752   1.3133   0.3752  509.372   87.890  509.372   87.890 -0.000000 0.000000 
1 1 1   -6    0   14 o  1258.82   47.803   7.3738   0.5519   7.3738   0.5519   7.3738   0.5519  1258.82   47.803  1258.82   47.803 0.000000 0.000000 
1 1 1   -6    0   15 o  868.823   55.268   3.5559   0.4377   3.5559   0.4377   3.5559   0.4377  868.823   55.268  868.823   55.268 0.000000 0.000000 
1 1 1   -6    0   16 o  409.543  109.752   0.9514   0.3574   0.9514   0.3574   0.9514   0.3574  409.543  109.752  409.543  109.752 0.000000 0.000000 
1 1 1   -6    0   17 o  244.666  123.515   0.4348   0.3446   0.4348   0.3446   0.4348   0.3446  244.666  123.515  244.666  123.515 0.000000 0.000000 
1 1 1   -6    0   18 o  713.502   69.663   2.4596   0.4474   2.4596   0.4474   2.4596   0.4474  713.502   69.663  713.502   69.663 0.000000 0.000000 
1 1 1   -6    0   19 o  1329.87   57.121   8.3005   0.6961   8.3005   0.6961   8.3005   0.6961  1329.87   57.121  1329.87   57.121 0.000000 0.000000 
1 1 1   -6    0   20 f  1679.84   55.490   13.187   0.8556   13.187   0.8556   13.187   0.8556  1679.84   55.490  1679.84   55.490 0.000000 0.000000 
1 1 1   -6    0   21 o  251.607  153.404   0.3390   0.6698   0.3390   0.6698   0.3390   0.6698  251.607  153.404  251.607  153.404 0.000000 0.000000 
1 1 1   -6    0   22 o  682.287   96.722   2.3340   0.5720   2.3340   0.5720   2.3340   0.5720  682.287   96.722  682.287   96.722 0.000000 0.000000 
1 1 1   -6    0   23 o  233.853  150.187   0.1381   0.7365   0.1381   0.7365   0.1381   0.7365  233.853  150.187  233.853  150.187 0.000000 0.000000 
1 1 1   -6    0   24 o  954.730   81.424   4.4265   0.7033   4.4265   0.7033   4.4265   0.7033  954.730   81.424  954.730   81.424 0.000000 0.000000 
1 1 1   -6    0   25 o  509.590  150.062   1.6048   0.6115   1.6048   0.6115   1.6048   0.6115  509.590  150.062  509.590  150.062 -0.000000 0.000000 
1 1 1   -6    0   26 o  656.771  124.648   2.3993   0.6743   2.3993   0.6743   2.3993   0.6743  656.771  124.648  656.771  124.648 -0.000000 0.000000 
1 1 1   -6    2    1 o  3661.06   28.637   61.724   0.9647   61.718   1.1580   61.738   1.7439  3660.12   34.384  3657.59   51.816 2.528564 62.18650 
1 1 1   -6    2    2 o  2181.92   25.685   21.920   0.5157   21.506   0.7229   22.349   0.7358  2160.39   36.367  2202.32   36.308 -41.93237 51.38911 
1 1 1   -6    2    3 o  454.084   34.532   0.9555   0.1432   0.7912   0.1999   1.1287   0.2052  410.424   54.268  492.565   45.804 -82.14078 71.01431 
1 1 1   -6    2    4 o  1391.48   23.873   8.9149   0.3057   8.6444   0.4269   9.1994   0.4379  1369.69   33.872  1412.99   33.677 -43.29614 47.76479 
1 1 1   -6    2    5 o  607.887   29.919   1.7024   0.1674   1.8070   0.2438   1.6092   0.2301  624.417   42.689  589.072   42.748 35.34491 60.41291 
1 1 1   -6    2    6 o  1263.86   27.345   7.3575   0.3180   7.1181   0.4440   7.6096   0.4557  1242.41   38.840  1284.60   38.549 -42.19165 54.72291 
1 1 1   -6    2    7 o  2205.07   27.220   22.395   0.5523   22.093   0.7774   22.702   0.7848  2189.01   38.597  2218.98   38.435 -29.97510 54.46972 
1 1 1   -6    2    8 o  969.302   29.302   4.3271   0.2613   3.9904   0.3378   4.8288   0.4124  930.445   39.460  1023.32   43.797 -92.87207 58.95193 
1 1 1   -6    2    9 o  1092.75   28.390   5.4986   0.2855   5.1393   0.3984   5.8778   0.4092  1055.93   41.003  1129.34   39.380 -73.40625 56.85135 
1 1 1   -6    2   10 o  1189.54   40.979   6.5237   0.4485   6.3722   0.6279   6.6817   0.6409  1174.42   58.108  1202.61   57.919 -28.19861 82.04339 
1 1 1   -6    2   11 o  2523.04   27.500   29.328   0.6384   29.030   0.9006   29.629   0.9052  2508.43   39.017  2534.23   38.819 -25.79419 55.03825 
1 1 1   -6    2   12 o  195.322   81.160   0.0458   0.2404  -0.0638   0.3477   0.1462   0.3327  213.357   93.292  244.111   97.692 -30.75412 135.0822 
1 1 1   -6    2   13 o  1241.88   32.994   7.1275   0.3770   6.9921   0.5337   7.2625   0.5327  1227.14   47.263  1250.88   46.285 -23.73840 66.15160 
1 1 1   -6    2   14 o  756.397   44.914   2.6700   0.3112   2.4632   0.3951   3.0079   0.5050  722.372   59.988  795.398   69.707 -73.02545 91.96504 
1 1 1   -6    2   15 o  1157.90   35.941   6.2213   0.3829   6.0242   0.5368   6.4254   0.5464  1134.38   51.431  1171.85   50.672 -37.46887 72.19936 
1 1 1   -6    2   16 o  766.215   45.079   2.7513   0.3164   2.6660   0.4426   2.8405   0.4525  746.882   65.058  771.416   64.335 -24.53442 91.49610 
1 1 1   -6    2   17 o  329.698   83.887   0.5467   0.2551   0.5046   0.3587   0.5897   0.3629  320.428  105.239  341.431  105.151 -21.00272 148.7680 
1 1 1   -6    2   18 o  606.735   56.412   1.7480   0.3113   2.2440   0.4545   1.3093   0.4274  681.130   73.684  509.867   94.581 171.2630 119.8949 
1 1 1   -6    2   19 o  1042.93   42.738   5.0692   0.4101   5.3572   0.5873   4.7951   0.5730  1063.87   60.239  1005.38   62.249 58.49756 86.62347 
1 1 1   -6    2   20 o  1374.35   41.554   8.7847   0.5255   8.8874   0.7430   8.6819   0.7433  1375.01   58.727  1358.66   59.457 16.35266 83.57037 
1 1 1   -6    2   21 o  533.626  105.787   1.4329   0.5011   2.1360   0.7404   0.8386   0.6807  642.677  129.665  414.547  144.885 228.1296 194.4341 
1 1 1   -6    2   22 o  307.324   97.421   0.4558   0.3091   0.7174   0.4336   0.1852   0.4409  377.844  114.670  273.508  111.376 104.3365 159.8555 
1 1 1   -6    2   23 o  746.111   92.960   2.7375   0.6244   3.5510   0.8984   1.9775   0.8684  834.216  120.531  599.254  155.969 234.9626 197.1144 
1 1 1   -6    2   24 o  1012.05   66.583   4.8952   0.6166   5.1889   0.8742   4.6044   0.8698  1023.75   93.842  959.442   99.995 64.31158 137.1328 
1 1 1   -6    2   25 o  412.809  108.430   0.9067   0.4172   0.3011   0.5764   1.5729   0.6046  306.903  126.434  535.956  124.902 -229.0528 177.7243 
1 1 1   -6    2   26 o  740.317   74.784   2.7179   0.5025   2.6374   0.6845   2.8120   0.7398  701.850  109.576  719.524  115.663 -17.67444 159.3259 
1 1 1   -6    4    1 o  2950.65   39.403   40.135   1.0698   41.345   1.5569   39.053   1.4725  2991.69   56.555  2907.87   55.033 83.81543 78.91192 
1 1 1   -6    4    2 f  1149.12   23.647   6.0796   0.2500   6.1444   0.3212   5.9801   0.3983  1154.96   30.227  1139.04   38.000 15.92468 48.55567 
1 1 1   -6    4    3 o  1232.19   22.728   6.9903   0.2577   6.7443   0.3613   7.2450   0.3676  1209.88   32.454  1254.02   31.860 -44.13525 45.47868 
1 1 1   -6    4    4 o  953.775   25.089   4.1891   0.2202   3.7924   0.3023   4.6373   0.3213  907.042   36.223  1003.08   34.815 -96.03271 50.24095 
1 1 1   -6    4    5 o  1237.57   25.800   7.0538   0.2938   7.1304   0.4166   6.9781   0.4144  1243.64   36.409  1230.27   36.603 13.36475 51.62751 
1 1 1   -6    4    6 o  304.713   48.346   0.4392   0.1310   0.3750   0.1846   0.5044   0.1860  279.128   71.543  324.447   64.576 -45.31909 96.37666 
1 1 1   -6    4    7 o  2174.05   27.250   21.767   0.5451   22.206   0.7806   21.350   0.7617  2194.75   38.651  2152.03   38.463 42.72241 54.52801 
1 1 1   -6    4    8 o  465.054   43.909   1.0060   0.1857   0.8215   0.2556   1.2121   0.2701  415.957   69.226  508.940   58.759 -92.98346 90.80139 
1 1 1   -6    4    9 o  341.669   65.161   0.5575   0.1974   0.3720   0.3081   0.6866   0.2570  291.569   97.605  378.369   76.459 -86.80011 123.9871 
1 1 1   -6    4   10 o  862.080   41.097   3.4272   0.3260   3.6079   0.4270   3.1747   0.5047  882.294   52.845  825.466   67.026 56.82794 85.35225 
1 1 1   -6    4   11 o  1027.94   34.525   4.8737   0.3266   4.4273   0.4187   5.5668   0.5218  978.740   46.492  1096.90   51.694 -118.1593 69.52569 
1 1 1   -6    4   12 o  1565.56   42.879   11.345   0.6177   11.398   0.8718   11.291   0.8754  1564.57   60.555  1557.05   61.098 7.514038 86.02231 
1 1 1   -6    4   13 o  1731.54   30.841   13.853   0.4914   13.437   0.6890   14.283   0.7010  1701.68   44.001  1754.59   43.421 -52.91309 61.81824 
1 1 1   -6    4   14 o  655.776   44.095   2.0092   0.2645   2.2000   0.3795   1.8290   0.3689  681.696   61.155  619.692   65.698 62.00470 89.75584 
1 1 1   -6    4   15 o  961.047   37.717   4.2912   0.3335   4.3603   0.4742   4.2236   0.4693  962.517   53.752  947.142   54.069 15.37506 76.24147 
1 1 1   -6    4   16 o  257.155   85.171   0.3110   0.2348   0.3597   0.3348   0.2639   0.3293  283.699  101.382  261.455   99.270 22.24365 141.8900 
1 1 1   -6    4   17 o  192.780   81.628   0.0317   0.2503  -0.0770   0.3472   0.1492   0.3612  206.776   91.700  246.121  100.582 -39.34560 136.1094 
1 1 1   -6    4   18 o  471.896   66.734   1.0774   0.2817   1.1282   0.4048   1.0297   0.3922  471.644   96.527  449.695   97.594 21.94888 137.2658 
1 1 1   -6    4   19 o  521.480   63.266   1.3035   0.2974   1.1393   0.4062   1.4932   0.4365  475.017   96.237  548.452   89.580 -73.43555 131.4771 
1 1 1   -6    4   20 o  239.883   92.782   0.1952   0.2913  -0.0648   0.4060   0.4709   0.4181  227.355  100.074  321.395  113.459 -94.04034 151.2868 
1 1 1   -6    4   21 o  306.482  116.008   0.3663   0.4489  -0.2923   0.6151   1.1168   0.6566  257.597  117.423  462.531  141.274 -204.9342 183.7019 
1 1 1   -6    4   22 o  1224.80   49.051   6.9987   0.5528   7.0945   0.7382   6.8765   0.8341  1224.80   65.743  1200.39   75.907 24.41394 100.4192 
1 1 1   -6    4   23 o  1012.14   74.893   4.9121   0.6925   4.7325   0.9515   5.1145   1.0099  972.571  108.154  1009.68  110.508 -37.10504 154.6261 
1 1 1   -6    4   24 o  427.330   98.656   0.9381   0.3801   0.2119   0.5009   1.9235   0.5835  285.390  117.751  611.684  107.596 -326.2939 159.5059 
1 1 1   -6    4   25 o  784.620   70.550   2.9987   0.5039   3.4522   0.7725   2.6630   0.6648  816.076  105.336  716.820  103.814 99.25665 147.8952 
1 1 1   -6    4   26 o  154.348   76.347  -0.8127   0.4004  -0.6177   0.5475  -1.0369   0.5871  205.627   98.862  190.714   93.976 14.91254 136.4012 
1 1 1   -6    6    1 o  989.335   32.487   4.5104   0.2957   4.4768   0.3404   4.6139   0.5972  985.377   37.544  996.062   65.526 -10.68481 75.51926 
1 1 1   -6    6    2 o  304.697   37.471   0.4345   0.1028   0.3894   0.1391   0.4889   0.1528  285.500   54.931  321.016   53.615 -35.51642 76.75884 
1 1 1   -6    6    3 o  2085.01   22.613   20.017   0.4339   20.013   0.6180   20.021   0.6092  2083.95   32.230  2084.38   31.761 -0.4282227 45.25000 
1 1 1   -6    6    4 o  1874.42   23.869   16.179   0.4117   16.171   0.5803   16.188   0.5842  1873.10   33.667  1874.04   33.876 -0.9426270 47.76028 
1 1 1   -6    6    5 o  1258.49   26.295   7.2946   0.3045   7.2553   0.4312   7.3337   0.4300  1254.42   37.360  1261.20   37.054 -6.779907 52.61895 
1 1 1   -6    6    6 o  1625.16   26.974   12.164   0.4034   12.543   0.5804   11.809   0.5610  1649.48   38.243  1600.49   38.092 48.99133 53.97658 
1 1 1   -6    6    7 o  753.043   33.215   2.6124   0.2302   2.7071   0.3326   2.5253   0.3189  764.593   47.503  738.404   47.175 26.18970 66.94808 
1 1 1   -6    6    8 o  1474.45   30.078   10.012   0.4081   9.9704   0.5799   10.054   0.5744  1470.59   42.856  1476.75   42.268 -6.159790 60.19325 
1 1 1   -6    6    9 o  1809.45   37.771   15.091   0.6289   15.343   0.8752   14.822   0.9043  1823.02   52.172  1791.48   54.857 31.54199 75.70416 
1 1 1   -6    6   10 o  937.668   38.099   4.0554   0.3287   4.4281   0.4727   3.7062   0.4575  977.281   52.755  893.370   55.933 83.90997 76.88716 
1 1 1   -6    6   11 o  2091.38   33.002   20.182   0.6351   20.088   0.8887   20.280   0.9080  2083.58   46.352  2093.29   47.139 -9.710205 66.11049 
1 1 1   -6    6   12 o  302.264   98.559   0.4244   0.3149   0.5218   0.3915   0.2463   0.5297  334.236  109.953  305.380  122.891 28.85623 164.8997 
1 1 1   -6    6   13 o  1071.86   37.342   5.3229   0.3683   5.9670   0.5009   4.5650   0.5434  1132.27   48.079  985.419   60.216 146.8544 77.05504 
1 1 1   -6    6   14 o  653.631   49.479   2.0068   0.2954   1.6863   0.3800   2.4959   0.4695  592.208   71.164  721.762   71.640 -129.5538 100.9778 
1 1 1   -6    6   15 o  524.794   54.432   1.3076   0.2590   1.4740   0.3607   1.1305   0.3722  551.128   72.917  475.776   88.268 75.35242 114.4909 
1 1 1   -6    6   16 o  449.510   66.701   0.9807   0.2675   1.1562   0.3877   0.8212   0.3696  479.140   91.277  399.379  100.616 79.76111 135.8495 
1 1 1   -6    6   17 o  202.497   82.545   0.0922   0.2425  -0.4163   0.3312   0.6799   0.3560  163.141   78.023  363.942  102.141 -200.8011 128.5318 
1 1 1   -6    6   18 o  517.419   64.017   1.2870   0.2983   1.3875   0.4277   1.1918   0.4162  526.535   91.598  485.014   96.660 41.52075 133.1666 
1 1 1   -6    6   19 o  497.125   70.331   1.1967   0.3127   1.3871   0.4587   1.0313   0.4275  524.518   98.668  448.311  105.402 76.20618 144.3778 
1 1 1   -6    6   20 o  562.155   81.034   1.5386   0.4071   1.8065   0.6153   1.3301   0.5428  594.283  116.680  507.515  118.408 86.76782 166.2370 
1 1 1   -6    6   21 o  375.289  106.273   0.7097   0.3836   1.2818   0.5533   0.1802   0.5324  498.076  121.750  292.227  121.048 205.8495 171.6843 
1 1 1   -6    6   22 o  1229.61   46.746   7.0482   0.5289   7.9623   0.7771   6.2592   0.7220  1297.36   65.300  1148.23   68.645 149.1320 94.74305 
1 1 1   -6    6   23 o  969.457   75.549   4.5210   0.6686   4.7614   0.9607   4.2951   0.9311  972.832  109.210  921.429  112.132 51.40332 156.5261 
1 1 1   -6    6   24 o  386.187  105.555   0.7781   0.3858   1.8031   0.5822  -0.0244   0.5152  587.850  111.714  256.463  112.809 331.3869 158.7639 
1 1 1   -6    6   25 o  346.481  112.294   0.6338   0.4090   0.8484   0.5966   0.4436   0.5618  392.157  135.722  322.659  127.645 69.49762 186.3159 
1 1 1   -6    6   26 o  200.318   96.966  -0.6952   0.5489  -1.6953   0.7651   0.3654   0.7879  199.824   99.916  331.315  142.671 -131.4917 174.1791 
1 1 1   -6    8    1 o  849.106   28.365   3.3216   0.2216   3.4592   0.3170   3.1900   0.3099  865.961   39.788  831.541   40.505 34.42004 56.77767 
1 1 1   -6    8    2 f  642.634   31.544   1.9032   0.1865   2.0210   0.2698   1.7953   0.2582  660.183   44.678  621.973   45.421 38.20935 63.71142 
1 1 1   -6    8    3 o  877.753   31.451   3.5503   0.2540   3.9556   0.3731   3.1999   0.3469  925.824   43.791  831.365   45.515 94.45825 63.16039 
1 1 1   -6    8    4 o  1031.85   30.145   4.9052   0.2862   5.1651   0.4488   4.7271   0.3716  1057.86   46.104  1012.42   39.888 45.44244 60.96422 
1 1 1   -6    8    5 o  177.021   63.703   0.1213   0.1324   0.1474   0.2068   0.1031   0.1724  209.059   78.830  185.216   71.451 23.84294 106.3928 
1 1 1   -6    8    6 o  637.352   35.871   1.8777   0.2095   1.9955   0.3298   1.7980   0.2713  655.081   55.230  622.484   47.728 32.59747 72.99498 
1 1 1   -6    8    7 o  1470.98   29.550   9.9652   0.4000   9.8512   0.5740   10.073   0.5576  1461.74   42.678  1478.21   40.996 -16.46765 59.17819 
1 1 1   -6    8    8 o  2820.03   31.092   36.633   0.8068   37.561   1.2790   36.020   1.0398  2853.00   48.720  2795.16   40.428 57.83643 63.30875 
1 1 1   -6    8    9 o  1874.65   38.461   16.208   0.6634   15.942   0.9351   16.478   0.9415  1856.92   54.724  1887.91   54.196 -30.99377 77.01900 
1 1 1   -6    8   10 o  830.493   39.064   3.1850   0.2985   2.9739   0.4153   3.4106   0.4294  798.894   56.867  856.173   54.792 -57.27881 78.96832 
1 1 1   -6    8   11 o  813.689   44.116   3.0760   0.3291   3.6490   0.4507   2.4218   0.4816  884.039   55.694  714.951   74.285 169.0886 92.84416 
1 1 1   -6    8   12 o  627.894   60.693   1.8611   0.3463   1.9962   0.4817   1.7166   0.4982  643.596   83.284  592.192   94.617 51.40405 126.0501 
1 1 1   -6    8   13 o  224.230   80.680   0.2070   0.2124   0.2652   0.2718   0.1157   0.3403  252.451   91.213  237.108   97.351 15.34328 133.4052 
1 1 1   -6    8   14 o  368.305   75.709   0.6707   0.2480   0.5819   0.3282   0.7890   0.3787  339.754   98.955  392.451  103.407 -52.69687 143.1256 
1 1 1   -6    8   15 o  495.605   61.299   1.1794   0.2736   1.1870   0.3615   1.1692   0.4186  489.001   83.322  478.894   98.287 10.10709 128.8523 
1 1 1   -6    8   16 o  641.341   52.986   1.9476   0.3099   2.0577   0.4192   1.8149   0.4602  652.223   70.997  605.856   84.870 46.36658 110.6502 
1 1 1   -6    8   17 o  807.952   49.660   3.0727   0.3674   2.9629   0.4733   3.2392   0.5828  786.578   66.002  816.184   78.575 -29.60602 102.6175 
1 1 1   -6    8   18 o  618.336   60.497   1.8233   0.3398   1.4096   0.4498   2.3730   0.5186  528.804   95.982  696.412   82.529 -167.6080 126.5841 
1 1 1   -6    8   19 o  414.355   80.182   0.8490   0.2947   0.8895   0.4201   0.8097   0.4135  415.766  108.607  396.956  109.592 18.80984 154.2916 
1 1 1   -6    8   20 o  1167.69   51.607   6.3725   0.5545   5.6100   0.7849   7.1321   0.7834  1081.55   79.428  1225.64   69.753 -144.0897 105.7088 
1 1 1   -6    8   21 o  572.789   81.154   1.5947   0.4158   1.2617   0.5719   1.9679   0.6055  492.253  125.787  625.211  109.230 -132.9583 166.5947 
1 1 1   -6    8   22 o  909.300   55.296   3.8922   0.4605   3.5190   0.6506   4.2668   0.6518  851.841   84.102  943.082   75.748 -91.24115 113.1852 
1 1 1   -6    8   23 o  650.257   81.758   2.0709   0.4784   1.6213   0.7013   2.4622   0.6542  544.753  139.344  696.912  105.303 -152.1587 174.6581 
1 1 1   -6    8   24 o  547.214   85.074   1.4993   0.4145   1.5685   0.5861   1.4301   0.5862  539.179  121.095  511.605  125.469 27.57312 174.3746 
1 1 1   -6    8   25 o  200.429   92.489  -0.2216   0.3977   0.0607   0.5905  -0.4559   0.5381  275.069  120.893  215.879  102.155 59.19017 158.2741 
1 1 1   -6    8   26 o  181.226   91.505  -2.0247   0.7272  -3.4404   1.1845  -1.1684   0.9213  219.175  111.330  246.516  120.711 -27.34148 164.2118 
1 1 1   -6   10    1 o  2495.06   28.181   28.674   0.6470   29.833   0.9424   27.641   0.8898  2543.50   40.267  2448.36   39.498 95.13574 56.40468 
1 1 1   -6   10    2 o  2153.72   28.857   21.365   0.5719   21.549   0.8197   21.191   0.7982  2161.67   41.212  2143.73   40.465 17.94434 57.75622 
1 1 1   -6   10    3 o  2582.05   29.679   30.709   0.7051   30.702   1.0052   30.716   0.9894  2580.22   42.337  2580.89   41.663 -0.6723633 59.39909 
1 1 1   -6   10    4 o  1758.39   31.557   14.243   0.5106   15.135   0.7521   13.480   0.6954  1811.45   45.121  1709.66   44.206 101.7864 63.16712 
1 1 1   -6   10    5 o  832.971   37.555   3.1977   0.2878   3.1213   0.4168   3.2673   0.3980  820.284   55.548  839.770   51.758 -19.48639 75.92365 
1 1 1   -6   10    6 o  348.399   66.919   0.5803   0.2067   0.7966   0.3115   0.4100   0.2763  406.719   85.934  297.345   91.794 109.3736 125.7412 
1 1 1   -6   10    7 o  2064.27   35.647   19.640   0.6771   20.362   1.3184   19.381   0.7891  2097.01   68.324  2049.94   41.836 47.08057 80.11457 
1 1 1   -6   10    8 f  2371.59   32.794   25.927   0.7157   25.236   1.1297   26.390   0.9249  2336.27   52.549  2391.19   42.036 -54.91675 67.29369 
1 1 1   -6   10    9 o  767.070   55.908   2.7425   0.3919   2.8406   0.7148   2.7004   0.4686  769.090  103.646  758.815   67.828 10.27496 123.8675 
1 1 1   -6   10   10 o  804.353   43.065   3.0048   0.3176   3.0363   0.4812   2.9804   0.4227  803.660   65.641  798.059   57.963 5.600586 87.56977 
1 1 1   -6   10   11 f  913.554   57.122   3.9121   0.4778   4.7922   0.6144   2.5655   0.7600  1008.24   66.595  715.667  119.624 292.5726 136.9122 
1 1 1   -6   10   12 o  166.823   73.656  -0.0569   0.2216   0.0971   0.3285  -0.1855   0.3002  230.635   95.273  178.066   81.499 52.56938 125.3756 
1 1 1   -6   10   13 o  600.308   53.744   1.7038   0.2937   1.7060   0.4044   1.7014   0.4274  592.992   75.850  590.197   80.814 2.794983 110.8334 
1 1 1   -6   10   14 f  238.381   87.775   0.2320   0.2534   0.2252   0.3432   0.2401   0.3758  256.057  100.239  265.762  104.639 -9.705048 144.9041 
1 1 1   -6   10   15 o  828.081   47.145   3.2231   0.3577   3.2895   0.4726   3.1339   0.5475  830.131   62.327  803.771   74.881 26.36053 97.42632 
1 1 1   -6   10   16 o  1083.80   42.245   5.4838   0.4213   5.7847   0.5731   5.1300   0.6214  1105.49   56.531  1035.91   65.530 69.58545 86.54439 
1 1 1   -6   10   17 o  191.119   82.531  -0.0046   0.2652  -0.3202   0.3469   0.4387   0.4112  177.693   83.445  310.537  112.195 -132.8437 139.8236 
1 1 1   -6   10   18 o  231.318   91.219   0.1671   0.2860  -0.0471   0.3899   0.4167   0.4209  223.819   98.304  308.388  113.185 -84.56837 149.9148 
1 1 1   -6   10   19 f  641.286   64.610   1.9613   0.3761   1.9034   0.4926   2.0422   0.5822  622.299   88.530  638.366  102.580 -16.06750 135.5000 
1 1 1   -6   10   20 o  831.414   71.687   3.2999   0.5431   3.4268   0.7868   3.1845   0.7505  830.640  105.306  800.914  104.313 29.72644 148.2247 
1 1 1   -6   10   21 o  719.015   65.443   2.4601   0.4282   2.4209   0.5947   2.5024   0.6172  700.932   94.617  711.772   96.745 -10.83990 135.3216 
1 1 1   -6   10   22 o  792.476   77.506   3.0358   0.5579   2.5446   0.7070   3.8467   0.9085  706.558  112.516  868.412  116.638 -161.8535 162.0627 
1 1 1   -6   10   23 o  449.402  107.460   1.0556   0.4384   0.8571   0.6807   1.1963   0.5730  405.582  144.597  469.253  128.796 -63.67111 193.6406 
1 1 1   -6   10   24 o  185.100   86.568  -0.2918   0.3669  -0.1176   0.5624  -0.4209   0.4842  253.359  114.204  206.749   97.549 46.61040 150.1946 
1 1 1   -6   10   25 o  252.149  105.653   0.1621   0.4123   1.1538   0.6105  -0.6692   0.5590  440.285  136.527  204.460   98.700 235.8245 168.4674 
1 1 1   -6   12    1 o  846.072   42.835   3.3097   0.3324   3.2817   0.6808   3.3185   0.3809  835.493   89.978  846.544   49.106 -11.05151 102.5056 
1 1 1   -6   12    2 o  2812.64   30.192   36.440   0.7814   35.551   1.0799   37.417   1.1320  2776.55   42.268  2848.33   43.193 -71.77856 60.43316 
1 1 1   -6   12    3 o  877.641   35.171   3.5495   0.2840   3.4315   0.4026   3.6665   0.4008  860.659   51.062  889.963   49.132 -29.30426 70.86097 
1 1 1   -6   12    4 o  1578.55   33.199   11.481   0.4822   11.771   0.6953   11.213   0.6694  1597.12   47.309  1558.85   46.667 38.27100 66.45265 
1 1 1   -6   12    5 o  829.929   43.111   3.1861   0.3281   3.0203   0.5247   3.2926   0.4204  804.080   71.669  842.387   54.530 -38.30719 90.05573 
1 1 1   -6   12    6 o  780.672   46.705   2.8247   0.3340   2.0554   0.5121   3.3939   0.4405  658.619   86.608  854.658   56.330 -196.0388 103.3146 
1 1 1   -6   12    7 o  766.196   45.351   2.7229   0.3183   2.8981   0.4680   2.5720   0.4343  787.276   65.184  741.512   64.281 45.76349 91.54776 
1 1 1   -6   12    8 f  1462.20   46.974   9.9020   0.6320   9.5055   1.1579   10.070   0.7543  1417.89   89.207  1472.61   55.666 -54.71606 105.1499 
1 1 1   -6   12    9 o  820.235   46.713   3.1321   0.3511   3.6297   0.5452   2.7794   0.4590  877.678   68.035  768.041   65.572 109.6364 94.49027 
1 1 1   -6   12   10 o  807.275   49.941   3.0463   0.3692   3.4876   0.5494   2.6831   0.4984  857.649   70.236  750.584   73.092 107.0641 101.3680 
1 1 1   -6   12   11 f  370.275   89.179   0.6856   0.3002   0.6806   0.4049   0.6918   0.4474  367.884  110.630  371.877  117.132 -3.992310 161.1177 
1 1 1   -6   12   12 o  554.534   60.626   1.4675   0.3043   1.3249   0.4727   1.5684   0.3977  509.557  104.320  567.012   78.317 -57.45468 130.4461 
1 1 1   -6   12   13 f  181.820   80.649  -0.0678   0.2687   0.2802   0.4440  -0.2689   0.3375  285.713  113.338  179.827   83.741 105.8857 140.9181 
1 1 1   -6   12   14 o  210.108   88.667   0.0535   0.2937   0.0674   0.4730   0.0448   0.3748  258.584  110.927  231.491   99.010 27.09300 148.6871 
1 1 1   -6   12   15 o  1049.32   49.795   5.1737   0.4808   5.2782   0.7835   5.1106   0.6089  1038.32   82.696  1033.95   64.319 4.361450 104.7649 
1 1 1   -6   12   16 o  679.301   61.956   2.2073   0.3830   1.9748   0.5295   2.4624   0.5547  626.666   94.780  705.155   87.364 -78.48828 128.9019 
1 1 1   -6   12   17 o  429.923   80.329   0.9184   0.3061   0.7868   0.4163   1.0733   0.4516  388.900  110.911  453.781  109.426 -64.88126 155.8056 
1 1 1   -6   12   18 o  563.800   68.512   1.5310   0.3481   1.2279   0.4745   1.8844   0.5124  488.375  108.410  615.529   93.394 -127.1541 143.0917 
1 1 1   -6   12   19 o  483.281   79.755   1.1432   0.3423   1.6192   0.4546   0.5201   0.5202  573.367   89.055  342.931  125.830 230.4361 154.1560 
1 1 1   -6   12   20 o  168.073   79.802  -0.3832   0.3338  -0.0487   0.4944  -0.6634   0.4526  252.749  110.860  183.350   88.582 69.39827 141.9043 
1 1 1   -6   12   21 o  849.582   58.740   3.4135   0.4564   3.5611   0.6212   3.2404   0.6727  858.350   79.558  812.186   91.613 46.16437 121.3359 
1 1 1   -6   12   22 o  677.334   92.033   2.2845   0.5587   2.7586   0.7303   1.6151   0.8678  732.914  111.827  529.836  162.513 203.0772 197.2707 
1 1 1   -6   12   23 o  374.647  122.752   0.7442   0.4882   0.5479   0.6862   0.9454   0.6947  354.917  140.862  414.992  146.272 -60.07571 203.0705 
1 1 1   -6   12   24 o  464.816  103.163   1.1571   0.4297   1.0750   0.5792   1.2575   0.6409  430.798  132.872  460.921  139.317 -30.12360 192.5204 
1 1 1   -6   12   25 o  249.157  118.760  -0.5541   0.7539  -0.9478   0.9045   0.3417   1.3643  252.787  122.855  370.113  170.969 -117.3260 210.5319 
1 1 1   -6   14    1 o  1192.19   50.103   6.5699   0.5496   0.0000   0.0000   6.5699   0.5496  ?   ?   1192.19   50.103 0.000000 50.10274 
1 1 1   -6   14    2 o  1111.01   50.442   5.7066   0.5157   0.0000   0.0000   5.7066   0.5157  ?   ?   1111.01   50.442 0.000000 50.44168 
1 1 1   -6   14    3 o  395.019   57.306   0.7375   0.2022   0.7479   0.3060   0.7294   0.2695  392.684   86.971  389.032   77.987 3.651825 116.8159 
1 1 1   -6   14    4 o  622.147   47.425   1.8003   0.2695   2.3723   0.4487   1.4777   0.3370  710.870   69.492  560.040   66.700 150.8298 96.32186 
1 1 1   -6   14    5 o  782.213   41.531   2.8358   0.2979   3.2781   0.4423   2.4688   0.4029  838.474   57.682  726.508   60.827 111.9667 83.82810 
1 1 1   -6   14    6 o  895.559   41.498   3.7105   0.3420   3.8258   0.4981   3.6078   0.4703  904.677   60.181  878.801   58.495 25.87628 83.92503 
1 1 1   -6   14    7 o  986.352   43.346   4.5096   0.3934   4.1914   0.5532   4.8352   0.5595  944.714   64.021  1016.16   60.109 -71.44073 87.81680 
1 1 1   -6   14    8 o  641.360   72.033   1.9617   0.4178   1.9589   0.7324   1.9630   0.5086  617.074  132.908  635.696   89.424 -18.62231 160.1915 
1 1 1   -6   14    9 o  461.233   76.046   1.0343   0.3115   1.3815   0.4263   0.6367   0.4562  529.407   90.786  361.382  118.681 168.0251 149.4230 
1 1 1   -6   14   10 o  1425.86   52.987   9.5280   0.6952   9.4723   0.8160   9.6754   1.3276  1416.57   62.603  1397.91  103.956 18.66711 121.3510 
1 1 1   -6   14   11 o  744.732   52.454   2.6175   0.3572   2.7778   0.5377   2.4910   0.4778  755.919   78.452  717.902   73.353 38.01709 107.4028 
1 1 1   -6   14   12 o  1042.80   46.249   5.0939   0.4438   5.6238   0.7219   4.7720   0.5627  1079.22   73.124  1000.84   61.393 78.38080 95.47873 
1 1 1   -6   14   13 o  906.120   51.902   3.8805   0.4309   4.1344   0.6948   3.7217   0.5494  916.797   83.264  878.769   68.486 38.02856 107.8111 
1 1 1   -6   14   14 o  556.172   69.398   1.5042   0.3474   1.7215   0.5511   1.3609   0.4476  575.418  108.055  515.448   97.946 59.97028 145.8395 
1 1 1   -6   14   15 o  733.106   72.310   2.6069   0.4814   2.7686   1.0833   2.5671   0.5374  680.172  172.758  722.042   82.363 -41.87067 191.3866 
1 1 1   -6   14   16 o  518.868   79.244   1.3282   0.3663   2.3027   0.6368   0.8461   0.4479  670.249  106.838  400.804  115.273 269.4447 157.1694 
1 1 1   -6   14   17 o  470.671   88.265   1.1087   0.3682   1.1588   0.5918   1.0770   0.4704  463.992  132.199  453.947  113.044 10.04480 173.9412 
1 1 1   -6   14   18 o  811.804   58.188   3.1155   0.4318   3.8123   0.6363   2.5208   0.5879  889.033   78.588  715.690   91.348 173.3436 120.5011 
1 1 1   -6   14   19 o  424.142  116.597   0.9299   0.4692   1.6389   0.7191   0.4046   0.6191  552.484  140.991  337.461  133.839 215.0231 194.4002 
1 1 1   -6   14   20 o  236.693   98.722   0.0929   0.3576   0.1709   0.5620   0.0397   0.4635  294.391  123.354  255.547  109.725 38.84325 165.0932 
1 1 1   -6   14   21 o  948.268   61.706   4.2747   0.5355   4.9167   0.7885   3.7252   0.7295  1002.31   86.337  867.547   92.828 134.7607 126.7722 
1 1 1   -6   14   22 o  318.683  123.103   0.4291   0.5123  -0.2267   0.7499   1.0029   0.7014  283.267  129.329  426.577  147.189 -143.3090 195.9347 
1 1 1   -6   14   23 o  187.666   89.162  -0.4219   0.4180   0.1295   0.5832  -1.0048   0.5996  282.568  122.206  196.392   96.415 86.17555 155.6604 
1 1 1   -6   14   24 o  515.797  113.719   1.4850   0.5252   1.7904   0.7162   1.1295   0.7726  540.920  142.058  423.050  153.636 117.8701 209.2472 
1 1 1   -6   16    1 o  1200.23   38.064   6.6638   0.4204   6.7029   0.5917   6.6240   0.5974  1200.57   53.558  1193.29   54.407 7.283936 76.34556 
1 1 1   -6   16    2 o  2371.10   34.377   25.983   0.7501   27.209   1.0799   24.840   1.0425  2421.06   48.475  2313.04   48.983 108.0154 68.91380 
1 1 1   -6   16    3 o  694.110   44.851   2.2436   0.2849   2.5377   0.4092   1.9668   0.3970  734.769   61.076  644.501   67.964 90.26831 91.37476 
1 1 1   -6   16    4 o  396.657   61.615   0.7523   0.2176   0.5848   0.3098   0.9155   0.3057  344.297   94.785  433.814   79.511 -89.51752 123.7178 
1 1 1   -6   16    5 o  726.233   46.540   2.4616   0.3094   2.4600   0.4382   2.4631   0.4368  720.620   66.845  721.159   66.580 -0.5392456 94.34611 
1 1 1   -6   16    6 o  1503.95   46.873   10.529   0.6487   11.175   1.2496   10.291   0.7589  1523.72   89.515  1483.32   55.603 40.39587 105.3786 
1 1 1   -6   16    7 o  164.976   76.490  -0.2190   0.2768  -0.2764   0.5555  -0.2001   0.3193  243.948  111.353  182.894   83.834 61.05431 139.3826 
1 1 1   -6   16    8 o  380.810   87.338   0.7274   0.2995   0.9360   0.4055   0.4768   0.4444  427.589  104.047  324.457  116.706 103.1321 156.3523 
1 1 1   -6   16    9 o  612.856   60.005   1.7914   0.3340   1.4950   0.4646   2.1087   0.4806  544.428   96.261  656.239   81.339 -111.8102 126.0244 
1 1 1   -6   16   10 o  1095.09   59.061   5.6966   0.5929   6.0833   0.7132   4.8314   1.0669  1125.23   69.221  959.199  123.762 166.0314 141.8048 
1 1 1   -6   16   11 o  363.127   93.397   0.6789   0.3138   1.0950   0.4800   0.3681   0.4148  452.839  114.980  294.724  111.527 158.1151 160.1831 
1 1 1   -6   16   12 o  732.042   62.153   2.5719   0.4147   2.6938   0.6073   2.4655   0.5676  731.901   92.230  701.201   90.054 30.69928 128.9035 
1 1 1   -6   16   13 o  1250.50   47.748   7.3488   0.5494   7.3430   0.8523   7.3529   0.7187  1228.66   75.752  1239.68   63.216 -11.01587 98.66402 
1 1 1   -6   16   14 o  212.332   90.097   0.0483   0.3060  -0.4115   0.4764   0.3712   0.3992  207.047   97.405  293.147  109.731 -86.10016 146.7262 
1 1 1   -6   16   15 o  987.665   52.794   4.6098   0.4781   4.3880   0.7636   4.7528   0.6131  940.933   89.262  994.752   67.376 -53.81812 111.8362 
1 1 1   -6   16   16 o  843.536   60.977   3.3871   0.4701   3.6613   0.7675   3.2226   0.5947  854.436   99.485  812.660   80.595 41.77618 128.0343 
1 1 1   -6   16   17 o  734.406   68.716   2.5847   0.4590   2.6714   0.7254   2.5268   0.5927  723.834  112.564  714.961   92.243 8.873535 145.5314 
1 1 1   -6   16   18 o  455.480   98.619   1.0506   0.4014   1.2154   0.6691   0.9579   0.5016  475.753  142.018  428.562  121.580 47.19077 186.9513 
1 1 1   -6   16   19 o  682.991  132.348   2.4640   0.8017   0.0000   0.0000   2.4640   0.8017  ?   ?   682.991  132.348 0.000000 132.3476 
1 1 1   -6   16   20 o  363.754  107.215   0.6796   0.3832   0.3429   0.5446   1.0099   0.5394  313.333  125.131  435.242  126.893 -121.9088 178.2120 
1 1 1   -6   16   21 o  1049.25   76.996   5.3650   0.7382   6.6743   1.0435   4.0532   1.0445  1149.94   99.596  862.635  136.094 287.3100 168.6450 
1 1 1   -6   16   22 f  425.113  133.958   1.0285   0.5852   1.7682   0.9678   0.6023   0.7347  523.075  172.904  361.079  144.933 161.9958 225.6133 
1 1 1   -6   16   23 o  173.985   84.575  -0.6204   0.4293   0.1458   0.6675  -1.1606   0.5605  292.158  128.464  177.684   88.310 114.4748 155.8898 
1 1 1   -6   18    1 o  1258.36   44.262   7.3758   0.5125   7.8990   0.6558   6.5552   0.8214  1297.94   54.914  1169.79   76.730 128.1525 94.35621 
1 1 1   -6   18    2 o  283.078   84.843   0.3915   0.2384   0.3802   0.3084   0.4084   0.3760  286.778   97.640  302.370  107.497 -15.59183 145.2212 
1 1 1   -6   18    3 o  689.428   53.771   2.2410   0.3384   2.4830   0.4381   1.8831   0.5329  721.329   66.764  614.748   97.453 106.5807 118.1290 
1 1 1   -6   18    4 o  143.465   66.837  -0.1875   0.2154  -0.0425   0.2729  -0.4267   0.3506  188.130   82.446  169.443   80.827 18.68697 115.4570 
1 1 1   -6   18    5 f  595.171   57.596   1.6836   0.3115   1.7610   0.4056   1.5724   0.4863  602.446   74.779  558.633   98.181 43.81372 123.4154 
1 1 1   -6   18    6 o  815.787   66.897   3.1885   0.4977   3.8919   0.8828   2.8606   0.6027  872.225  112.622  761.783   87.572 110.4424 142.6622 
1 1 1   -6   18    7 o  189.980   80.754   0.0263   0.2465   0.5285   0.3828  -0.3296   0.3223  326.297  108.789  167.962   79.351 158.3348 134.6536 
1 1 1   -6   18    8 o  251.853   91.048   0.2765   0.2709   0.6230   0.3952  -0.0304   0.3720  347.655  110.150  219.211   96.156 128.4441 146.2155 
1 1 1   -6   18    9 o  841.783   64.510   3.4087   0.4959   3.4887   0.5866   3.2084   0.9283  844.443   76.314  762.128  137.431 82.31500 157.1975 
1 1 1   -6   18   10 o  150.855   72.077  -0.3448   0.2812   0.1025   0.4113  -0.7371   0.3852  247.397  104.689  155.699   76.606 91.69742 129.7241 
1 1 1   -6   18   11 o  356.553  110.875   0.6682   0.4023   2.1230   0.9335   0.3364   0.4459  590.478  165.280  292.050  114.281 298.4279 200.9416 
1 1 1   -6   18   12 f  277.370  111.365   0.2603   0.4339   1.3022   0.9465  -0.0170   0.4882  468.594  170.070  249.340  109.744 219.2536 202.4050 
1 1 1   -6   18   13 o  462.346   93.854   1.0968   0.3856   1.4607   0.5749   0.7990   0.5200  518.857  122.396  386.780  126.689 132.0765 176.1553 
1 1 1   -6   18   14 o  705.073   69.063   2.4062   0.4423   3.0432   0.6610   1.8897   0.5952  778.102   94.239  600.692  111.804 177.4103 146.2234 
1 1 1   -6   18   15 o  404.289  101.992   0.8467   0.3794   0.5825   0.5863   1.0371   0.4976  354.864  132.952  441.133  119.593 -86.26877 178.8262 
1 1 1   -6   18   16 o  289.531  105.703   0.3635   0.3664  -0.0492   0.5651   0.6628   0.4813  267.023  117.773  363.791  121.981 -96.76816 169.5579 
1 1 1   -6   18   17 o  1128.25   61.185   6.0282   0.6328   7.6587   1.2934   5.5151   0.7256  1229.25  115.712  1071.97   74.016 157.2789 137.3596 
1 1 1   -6   18   18 o  408.360  139.915   0.8580   0.6333   0.0000   0.0000   0.8580   0.6333  ?   ?   408.360  139.915 0.000000 139.9149 
1 1 1   -6   18   19 o  472.866  111.958   1.1713   0.4796   0.6722   0.8402   1.4125   0.5841  392.525  155.845  513.680  124.809 -121.1554 199.6620 
1 1 1   -6   18   20 o  456.916  119.132   1.1271   0.5060   1.1748   0.8304   1.0990   0.6383  453.483  159.913  443.540  139.918 9.943085 212.4838 
1 1 1   -6   18   21 o  701.146   92.173   2.5096   0.5803   3.2037   0.7350   1.3613   0.9454  782.705  104.676  466.390  169.862 316.3152 199.5253 
1 1 1   -6   18   22 o  276.333  117.010   0.2127   0.5144   1.4173   0.7416  -0.9039   0.7140  471.707  151.036  222.852  108.501 248.8550 185.9685 
1 1 1   -6   18   23 o  283.367  115.868   0.3292   0.4796   0.2925   0.6444   0.3748   0.7182  298.586  128.797  315.368  136.005 -16.78195 187.3127 
1 1 1   -6   20    1 o  1326.43   43.260   8.2384   0.5280   8.6292   0.7377   7.8280   0.7561  1347.08   59.515  1277.98   64.502 69.09607 87.76374 
1 1 1   -6   20    2 o  1232.87   42.994   7.1155   0.4877   7.1847   0.6777   7.0413   0.7026  1228.91   59.928  1212.93   63.166 15.97705 87.07064 
1 1 1   -6   20    3 o  389.923   81.882   0.7681   0.2844   1.2935   0.3996   0.2284   0.4050  505.454   89.174  266.979  107.450 238.4750 139.6337 
1 1 1   -6   20    4 o  859.737   62.975   3.5491   0.4947   2.8898   0.8884   3.8454   0.5956  720.551  139.025  888.487   73.517 -167.9362 157.2660 
1 1 1   -6   20    5 o  240.605   95.663   0.1893   0.3170   0.4888   0.6418   0.0927   0.3646  341.130  135.962  234.654   98.889 106.4755 168.1212 
1 1 1   -6   20    6 o  820.622   51.729   3.1958   0.3886   3.4411   0.5576   2.9641   0.5419  839.332   72.919  776.090   76.898 63.24139 105.9733 
1 1 1   -6   20    7 o  621.103   62.520   1.8648   0.3525   2.4915   0.5114   1.2978   0.4864  708.682   79.810  492.579  110.091 216.1022 135.9765 
1 1 1   -6   20    8 f  334.490  106.179   0.5834   0.3671   0.5710   0.4067   0.6381   0.8535  332.886  112.124  376.991  154.406 -44.10535 190.8221 
1 1 1   -6   20    9 o  193.206   85.176  -0.0411   0.2952   0.0954   0.4354  -0.1573   0.4017  250.771  106.969  209.868   95.367 40.90324 143.3082 
1 1 1   -6   20   10 o  947.963   53.955   4.2742   0.4687   4.3648   0.6787   4.1917   0.6480  940.653   79.148  923.390   76.970 17.26318 110.4028 
1 1 1   -6   20   11 o  949.828   57.416   4.3060   0.4995   4.0048   0.7152   4.5927   0.6978  894.590   88.022  965.683   79.229 -71.09302 118.4275 
1 1 1   -6   20   12 o  324.197  103.256   0.5379   0.3470  -0.1277   0.4828   1.2488   0.4989  235.223  105.940  482.388  114.180 -247.1644 155.7576 
1 1 1   -6   20   13 o  223.474   97.297  -0.0032   0.3746   0.5525   0.6258  -0.3135   0.4677  350.887  135.921  213.234   99.057 137.6534 168.1871 
1 1 1   -6   20   14 o  408.032  106.285   0.8699   0.4030   1.3699   0.5999   0.4586   0.5441  501.813  129.162  329.432  126.979 172.3816 181.1256 
1 1 1   -6   20   15 o  498.938   97.432   1.2634   0.4313   1.3094   0.6673   1.2304   0.5652  488.684  140.746  479.501  126.325 9.183075 189.1232 
1 1 1   -6   20   16 o  349.543  123.338   0.5875   0.4940   0.8822   1.0778   0.5091   0.5559  438.281  175.680  341.919  129.173 96.36160 218.0573 
1 1 1   -6   20   17 o  739.810   93.222   2.7223   0.6205   5.1407   1.4601   2.1892   0.6855  944.040  174.517  647.219  119.505 296.8209 211.5126 
1 1 1   -6   20   18 o  308.306  123.094   0.3413   0.5269   0.0000   0.0000   0.3413   0.5269  ?   ?   308.306  123.094 0.000000 123.0941 
1 1 1   -6   20   19 o  280.527  111.378   0.2851   0.4291   0.7754   0.6749  -0.0476   0.5560  386.498  143.069  260.510  115.763 125.9883 184.0374 
1 1 1   -6   20   20 o  294.679  123.288   0.2638   0.5602  -0.4048   0.7292   1.2262   0.8749  259.865  121.695  446.105  163.264 -186.2409 203.6290 
1 1 1   -6   20   21 f  248.969  113.086  -0.0978   0.5641   0.1781   0.7860  -0.3909   0.8101  309.040  137.467  268.727  126.604 40.31369 186.8842 
1 1 1   -6   20   22 o  361.836  122.416   0.7757   0.4848   1.1634   0.6806   0.3766   0.6906  420.299  144.987  310.989  133.742 109.3100 197.2520 
1 1 1   -6   22    1 o  166.647   78.395  -0.2769   0.3085  -0.0612   0.4521  -0.4649   0.4221  232.519  103.784  184.859   88.319 47.66045 136.2767 
1 1 1   -6   22    2 o  395.972  113.524   0.8607   0.4350   0.8385   0.8287   0.8691   0.5111  394.051  155.305  394.045  125.307 0.5462646E-02 199.5528 
1 1 1   -6   22    3 o  378.727  113.556   0.7835   0.4271  -0.3477   0.8156   1.2110   0.5013  278.979  130.002  468.143  116.768 -189.1637 174.7434 
1 1 1   -6   22    4 o  308.870   97.916   0.4933   0.3123   0.2853   0.4183   0.7553   0.4694  275.524  109.781  371.438  120.290 -95.91385 162.8541 
1 1 1   -6   22    5 o  184.370   82.276  -0.0703   0.2840   0.0159   0.3783  -0.1817   0.4299  224.485   97.751  213.684   97.699 10.80064 138.2047 
1 1 1   -6   22    6 o  461.206   86.711   1.0907   0.3545   1.0565   0.4809   1.1314   0.5246  437.223  117.152  449.074  123.231 -11.85129 170.0312 
1 1 1   -6   22    7 o  193.107   88.170  -0.1617   0.3486  -0.2852   0.3865   0.3768   0.8071  191.050   89.184  341.077  145.574 -150.0268 170.7207 
1 1 1   -6   22    8 o  1387.49   60.357   9.2223   0.7706   8.8278   1.0718   9.6443   1.1087  1325.68   88.369  1387.20   87.303 -61.52368 124.2212 
1 1 1   -6   22    9 f  254.274  100.115   0.2356   0.3440   0.6743   0.5329  -0.0780   0.4505  358.908  127.937  231.494  103.446 127.4133 164.5264 
1 1 1   -6   22   10 o  545.303   77.377   1.4784   0.3774   2.0875   0.5809   1.0337   0.4963  632.911  103.315  433.583  120.219 199.3278 158.5135 
1 1 1   -6   22   11 o  250.050  102.530   0.1691   0.3769  -0.0025   0.5223   0.3555   0.5444  257.991  113.530  309.342  124.549 -51.35077 168.5280 
1 1 1   -6   22   12 o  285.039  104.093   0.3642   0.3554   0.5317   0.5349   0.2318   0.4755  338.233  126.935  281.141  115.209 57.09134 171.4223 
1 1 1   -6   22   13 o  199.577   89.805  -0.1226   0.3460  -0.4950   0.4812   0.2760   0.4979  202.067   95.906  293.556  118.788 -91.48920 152.6712 
1 1 1   -6   22   14 o  458.485  101.858   1.0827   0.4186   1.8182   0.6594   0.5864   0.5417  583.301  126.495  352.043  128.522 231.2583 180.3302 
1 1 1   -6   22   15 o  753.788   76.273   2.7610   0.5218   2.1683   0.7419   3.3412   0.7339  635.240  131.260  815.227   99.933 -179.9872 164.9717 
1 1 1   -6   22   16 o  987.854   66.655   4.6794   0.6023   4.5865   0.8812   4.7609   0.8252  952.756  102.108  978.339   92.775 -25.58307 137.9611 
1 1 1   -6   22   17 o  647.997  128.851   2.2831   0.7412   0.0000   0.0000   2.2831   0.7412  ?   ?   647.997  128.851 0.000000 128.8510 
1 1 1   -6   22   18 o  327.693  127.682   0.4791   0.5548   0.1842   0.9000   0.6598   0.7045  335.823  148.348  367.682  143.715 -31.85834 206.5454 
1 1 1   -6   22   19 o  408.336  138.360   0.9790   0.6193   1.2225   0.7602   0.4986   1.0676  443.636  153.224  369.493  162.464 74.14307 223.3209 
1 1 1   -6   22   20 o  583.720  115.192   1.9267   0.5967   1.7588   0.8923   2.0626   0.8026  499.009  166.078  563.928  151.467 -64.91882 224.7763 
1 1 1   -6   22   21 o  215.188  104.566  -0.7281   0.6545  -0.3344   1.3791  -0.8426   0.7436  320.595  154.827  225.241  109.896 95.35388 189.8643 
1 1 1   -6   24    1 o  585.151   94.220   1.7847   0.4901   1.8933   0.8774   1.7354   0.5909  540.205  162.938  558.344  118.663 -18.13971 201.5678 
1 1 1   -6   24    2 o  546.643   84.557   1.5253   0.4116   1.0854   0.5409   2.1305   0.6344  434.233  127.192  624.296  114.667 -190.0626 171.2488 
1 1 1   -6   24    3 o  315.343  106.535   0.5164   0.3671   0.0176   0.5020   1.0901   0.5383  252.013  111.085  435.974  126.661 -183.9613 168.4727 
1 1 1   -6   24    4 o  291.294  107.855   0.3997   0.3836   0.2492   0.5486   0.5436   0.5366  289.807  121.676  332.410  126.592 -42.60373 175.5866 
1 1 1   -6   24    5 o  247.478  103.886   0.1400   0.3998   0.0346   0.4608   0.4609   0.8041  245.928  107.468  346.881  146.559 -100.9533 181.7384 
1 1 1   -6   24    6 o  359.266  111.710   0.6980   0.4084   0.4860   0.4551   1.5767   0.9265  316.326  117.402  493.104  169.215 -176.7781 205.9538 
1 1 1   -6   24    7 o  403.978   95.836   0.8598   0.3509   0.4068   0.4590   1.4963   0.5442  302.882  116.663  522.824  116.138 -219.9415 164.6153 
1 1 1   -6   24    8 o  274.922  100.476   0.3454   0.3312  -0.0379   0.4168   1.0022   0.5455  227.641  100.735  421.723  128.767 -194.0819 163.4882 
1 1 1   -6   24    9 o  505.589   87.287   1.2994   0.3914   1.1872   0.5376   1.4259   0.5709  462.566  123.845  508.045  123.363 -45.47916 174.8030 
1 1 1   -6   24   10 o  614.421   77.327   1.8645   0.4275   3.3340   0.6460   0.7195   0.5702  816.908   87.289  371.730  132.363 445.1783 158.5542 
1 1 1   -6   24   11 o  850.481   64.099   3.4719   0.4979   4.0230   0.7249   2.9796   0.6852  899.382   88.751  765.659   99.608 133.7222 133.4109 
1 1 1   -6   24   12 o  471.153   96.154   1.1364   0.4028   1.7761   0.6067   0.6325   0.5385  579.207  117.851  358.056  128.509 221.1507 174.3656 
1 1 1   -6   24   13 o  158.408   77.292  -0.6247   0.3680  -0.8258   0.5044  -0.3959   0.5381  185.328   90.441  224.963  105.087 -39.63579 138.6463 
1 1 1   -6   24   14 o  356.069  117.506   0.6519   0.4470   0.1073   0.6339   1.1905   0.6305  294.870  127.471  462.769  137.799 -167.8994 187.7162 
1 1 1   -6   24   15 o  571.561   99.615   1.6807   0.5049   2.2221   0.7769   1.2849   0.6642  631.281  137.624  475.726  141.387 155.5554 197.3080 
1 1 1   -6   24   16 o  371.278  140.800   0.6998   0.6620   0.0000   0.0000   0.6998   0.6620  ?   ?   371.278  140.800 0.000000 140.8001 
1 1 1   -6   24   17 o  635.073  109.441   2.1655   0.6165   3.2658   1.1234   1.6915   0.7374  710.049  173.437  528.720  146.506 181.3294 227.0337 
1 1 1   -6   24   18 f  393.388  127.386   0.9083   0.5264   1.0250   0.8061   0.8216   0.6951  405.315  154.969  376.258  143.891 29.05740 211.4713 
1 1 1   -6   24   19 o  510.153  152.033   1.7677   0.7673   1.8358   0.8949   1.5786   1.4909  498.941  166.329  429.990  190.389 68.95157 252.8109 
1 1 1   -6   24   20 o  281.711  143.454  -3.7622   2.0594   0.0000   0.0000  -3.7622   2.0594  ?   ?   281.711  143.454 0.000000 143.4541 
1 1 1   -6   26    1 f  462.417  104.833   1.1581   0.4358   1.3197   0.6126   0.9925   0.6200  472.775  134.444  410.501  138.445 62.27365 192.9828 
1 1 1   -6   26    2 o  958.163   62.924   4.4553   0.5517   3.9243   0.7256   5.1827   0.8493  874.314   91.555  1004.01   92.985 -129.6923 130.4934 
1 1 1   -6   26    3 o  500.910  112.465   1.3764   0.5057   1.6793   0.5875   0.5109   0.9932  549.159  119.654  366.574  159.008 182.5848 198.9984 
1 1 1   -6   26    4 o  675.099   87.914   2.3232   0.5332   1.8670   0.5929   4.2528   1.2193  585.339  114.172  826.310  166.119 -240.9710 201.5713 
1 1 1   -6   26    5 o  479.115  104.102   1.2265   0.4458   1.2821   0.5942   1.1549   0.6743  471.798  131.799  441.464  144.254 30.33420 195.3972 
1 1 1   -6   26    6 o  182.420   84.878  -0.2477   0.3456  -0.6630   0.4313   0.4973   0.5776  173.342   84.380  331.405  129.962 -158.0637 154.9518 
1 1 1   -6   26    7 o  852.938   64.687   3.5173   0.5039   3.7585   0.6735   3.2106   0.7595  866.593   85.579  782.039  108.466 84.55371 138.1614 
1 1 1   -6   26    8 o  906.804   62.980   3.9546   0.5223   4.3803   0.7294   3.5068   0.7481  938.010   85.444  826.942  100.372 111.0677 131.8152 
1 1 1   -6   26    9 o  498.690   90.891   1.2658   0.4017   2.3209   0.5840   0.3185   0.5534  675.094   96.789  306.304  124.764 368.7895 157.9055 
1 1 1   -6   26   10 o  426.340  106.437   0.9590   0.4163   1.3053   0.5591   0.5284   0.6235  489.130  124.046  346.571  135.270 142.5597 183.5352 
1 1 1   -6   26   11 o  321.199  113.329   0.5016   0.4171   0.0861   0.5637   1.0042   0.6200  278.238  120.244  426.128  138.273 -147.8899 183.2433 
1 1 1   -6   26   12 o  388.849  115.235   0.8083   0.4417   1.7545   0.6929   0.1607   0.5733  559.610  135.919  288.469  122.892 271.1409 183.2389 
1 1 1   -6   26   13 o  304.274  112.581   0.4263   0.4178   0.4256   0.5947   0.4270   0.5871  325.818  130.537  325.061  129.884 0.7571411 184.1461 
1 1 1   -6   26   14 o  632.171   93.328   2.0490   0.5266   1.7078   0.7259   2.4278   0.7649  539.101  143.719  658.862  130.787 -119.7612 194.3210 
1 1 1   -6   26   15 o  694.541  133.994   2.7676   0.8253   0.0000   0.0000   2.7676   0.8253  ?   ?   694.541  133.994 0.000000 133.9936 
1 1 1   -6   26   16 o  246.262  110.561  -0.0396   0.5211   0.5863   0.8674  -0.3930   0.6518  355.611  151.322  241.159  113.601 114.4521 189.2177 
1 1 1   -6   26   17 o  712.792  100.621   2.7686   0.6416   3.4398   0.9443   2.1930   0.8744  740.023  143.860  560.770  161.005 179.2527 215.9126 
1 1 1   -6   26   18 o  308.641  134.343   0.4101   0.7138   0.4931   0.8285   0.1710   1.4066  324.450  142.877  336.150  160.777 -11.69958 215.0880 
1 1 1   -6   28    1 o  614.169  111.001   2.0235   0.6042   2.7723   0.7255   0.3282   1.0916  718.661  113.475  363.954  161.946 354.7069 197.7448 
1 1 1   -6   28    2 o  182.521   88.517  -0.6563   0.4629  -1.1354   0.5120   1.4870   1.0829  168.735   83.950  477.369  180.308 -308.6337 198.8932 
1 1 1   -6   28    3 o  756.479   75.265   2.8240   0.5170   2.5859   0.6584   3.2066   0.8347  702.089  105.151  767.303  122.333 -65.21350 161.3138 
1 1 1   -6   28    4 o  754.018   76.666   2.8090   0.5245   2.8568   0.6899   2.7434   0.8074  740.036  104.205  703.555  129.490 36.48163 166.2118 
1 1 1   -6   28    5 o  1317.64   56.953   8.2690   0.6905   8.2839   0.9260   8.2502   1.0365  1297.91   77.892  1283.64   88.288 14.27563 117.7362 
1 1 1   -6   28    6 o  841.151   70.980   3.4498   0.5443   3.5663   0.7379   3.3109   0.8059  834.925   97.911  790.570  114.090 44.35455 150.3431 
1 1 1   -6   28    7 o  351.789  114.454   0.6508   0.4247   0.7168   0.5522   0.5553   0.6644  369.142  130.386  351.352  138.871 17.78970 190.4880 
1 1 1   -6   28    8 o  248.798  105.545   0.1037   0.4197  -0.2129   0.5398   0.5877   0.6675  239.245  109.422  356.168  139.697 -116.9237 177.4499 
1 1 1   -6   28    9 o  525.053   98.949   1.4336   0.4605   1.5353   0.6149   1.3036   0.6949  524.317  128.465  472.336  145.525 51.98157 194.1156 
1 1 1   -6   28   10 o  811.537   71.369   3.2210   0.5275   3.2644   0.7380   3.1756   0.7543  792.166  103.741  777.233  108.424 14.93237 150.0600 
1 1 1   -6   28   11 o  289.958  115.747   0.3248   0.4658   0.7778   0.6624  -0.1181   0.6551  379.950  141.522  269.761  122.272 110.1885 187.0259 
1 1 1   -6   28   12 o  173.709   84.183  -0.5862   0.4167  -0.9067   0.5492  -0.1514   0.6397  188.722   92.575  262.007  119.556 -73.28459 151.2081 
1 1 1   -6   28   13 o  805.416   81.686   3.2859   0.5970   3.4343   0.8444   3.1376   0.8442  783.807  120.966  740.566  128.552 43.24158 176.5178 
1 1 1   -6   28   14 o  457.442  157.997   1.4245   0.8083   0.0000   0.0000   1.4245   0.8083  ?   ?   457.442  157.997 0.000000 157.9973 
1 1 1   -6   28   15 o  201.028   96.118  -0.4530   0.5019   1.3141   0.9218  -1.1975   0.5983  421.423  164.480  181.244   90.268 240.1796 187.6217 
1 1 1   -6   28   16 o  546.352  119.779   1.8128   0.5856   2.2860   0.8716   1.4234   0.7906  553.090  161.303  433.227  155.686 119.8627 224.1805 
1 1 1   -6   28   17 o  308.895  136.777   0.4706   0.7695   0.3268   0.8685   0.9957   1.6596  302.798  138.601  359.740  172.738 -56.94278 221.4689 
1 1 1   -6   30    1 o  610.614  103.527   1.9735   0.5609   1.5049   0.7317   2.6411   0.8734  496.978  148.552  667.627  146.223 -170.6493 208.4445 
1 1 1   -6   30    2 o  333.842  120.566   0.5724   0.4748   0.5169   0.6203   0.6510   0.7379  336.438  133.803  364.136  145.572 -27.69791 197.7231 
1 1 1   -6   30    3 o  513.511  110.790   1.4306   0.5081   0.9457   0.6459   2.2184   0.8232  405.286  141.159  608.398  148.374 -203.1114 204.7939 
1 1 1   -6   30    4 o  339.209  119.524   0.6024   0.4638   0.8253   0.5967   0.2621   0.7373  384.394  135.554  318.745  137.629 65.64944 193.1755 
1 1 1   -6   30    5 o  352.409  129.871   0.6504   0.5549   0.7673   0.6164   0.1503   1.2750  374.671  137.053  365.611  167.566 9.059937 216.4760 
1 1 1   -6   30    6 o  681.222  114.966   2.5199   0.6950   2.7359   0.7940   1.8119   1.4375  697.662  128.409  494.824  201.263 202.8378 238.7375 
1 1 1   -6   30    7 o  681.063   92.565   2.3942   0.5651   1.9854   0.7448   2.9486   0.8674  578.561  141.155  714.561  136.902 -135.9997 196.6389 
1 1 1   -6   30    8 o  736.329   84.907   2.7567   0.5647   3.3266   0.7549   2.0323   0.8511  789.135  106.695  565.370  157.658 223.7645 190.3673 
1 1 1   -6   30    9 o  796.136   86.769   3.2472   0.6254   2.8546   0.8393   3.7373   0.9376  698.297  135.507  806.682  130.798 -108.3847 188.3350 
1 1 1   -6   30   10 o  209.994   96.882  -0.2003   0.4361   0.1898   0.5661  -0.7697   0.6839  279.677  120.679  222.943  107.995 56.73395 161.9452 
1 1 1   -6   30   11 o  222.596  101.533  -0.1208   0.4608   0.1353   0.6048  -0.4753   0.7116  276.446  121.888  243.591  115.906 32.85513 168.1988 
1 1 1   -6   30   12 o  317.031  125.140   0.5350   0.5388   0.7842   0.7927   0.3209   0.7346  359.967  148.277  306.713  134.817 53.25409 200.4036 
1 1 1   -6   30   13 o  497.535  158.347   1.8463   0.8161   0.0000   0.0000   1.8463   0.8161  ?   ?   497.535  158.347 0.000000 158.3466 
1 1 1   -6   30   14 o  875.523  114.523   4.5893   0.9005   7.1474   2.0213   3.9559   1.0058  716.851  249.720  753.500  150.340 -36.64893 291.4826 
1 1 1   -6   30   15 o  447.888  140.146   1.4726   0.6417   2.6683   0.8980   0.2246   0.9174  576.787  162.333  292.935  136.962 283.8523 212.3927 
1 1 1   -6   32    1 o  312.341  124.309   0.4737   0.5357   1.4442   0.7118  -0.7949   0.8137  470.285  147.671  243.090  117.766 227.1960 188.8799 
1 1 1   -6   32    2 o  601.227  112.253   2.0269   0.5982   1.3157   0.7619   3.1699   0.9659  443.712  153.382  702.941  153.616 -259.2283 217.0800 
1 1 1   -6   32    3 o  344.564  128.113   0.6691   0.5424   0.6741   0.7050   0.6618   0.8489  351.328  141.639  356.901  150.681 -5.572144 206.7997 
1 1 1   -6   32    4 o  287.849  118.642   0.3324   0.5079  -0.1099   0.6336   1.1277   0.8495  257.616  118.088  410.492  158.540 -152.8762 197.6860 
1 1 1   -6   32    5 o  717.560   94.244   2.7426   0.6072   3.1345   0.8078   2.2333   0.9208  733.734  124.065  561.367  166.377 172.3671 207.5417 
1 1 1   -6   32    6 f  273.772  116.031   0.2468   0.5065   1.2381   0.6582  -1.1923   0.7931  435.176  142.535  219.305  108.284 215.8705 179.0019 
1 1 1   -6   32    7 o  991.168   85.397   5.1350   0.7713   4.9326   0.9108   5.6480   1.4499  940.388  107.172  867.013  187.214 73.37531 215.7197 
1 1 1   -6   32    8 o  486.576  128.192   1.4795   0.5820   1.6146   0.7514   1.2769   0.9200  478.094  151.924  411.069  163.119 67.02490 222.9100 
1 1 1   -6   32    9 o  450.194  132.519   1.3282   0.5858   1.9731   0.7595   0.3808   0.9205  530.885  149.250  318.750  144.660 212.1352 207.8505 
1 1 1   -6   32   10 o  268.616  118.034   0.2232   0.5627   0.2322   0.6134   0.1750   1.4143  275.323  122.002  326.282  157.378 -50.95856 199.1290 
1 1 1   -6   32   11 o  278.048  126.891   0.2000   0.7209   0.2717   0.8243  -0.0333   1.4865  291.978  134.156  312.326  153.021 -20.34781 203.5023 
1 1 1   -6   32   12 o  298.307  142.819   0.2044   1.1162  -1.5725   1.5283   2.2355   1.6339  266.451  134.302  392.880  183.390 -126.4293 227.3079 
1 1 1   -6   32   13 o  315.993  156.247   0.4700   1.6719   0.0000   0.0000   0.4700   1.6719  ?   ?   315.993  156.247 0.000000 156.2475 
1 1 1   -6   34    1 o  453.654  147.750   1.5634   0.7076   1.7627   1.0311   1.3859   0.9729  427.252  171.630  393.200  163.320 34.05142 236.9185 
1 1 1   -6   34    2 o  303.487  129.243   0.5079   0.6336   0.0623   0.8897   0.9667   0.9027  283.765  133.374  355.127  152.817 -71.36261 202.8340 
1 1 1   -6   34    3 o  307.864  131.877   0.5368   0.6668   1.6871   0.9527  -0.5676   0.9335  428.356  167.204  254.059  123.774 174.2963 208.0316 
1 1 1   -6   34    4 o  264.193  119.057   0.1709   0.6108   0.6916   0.8004  -0.5550   0.9451  326.565  142.198  255.012  124.305 71.55232 188.8706 
1 1 1   -6   34    5 o  235.263  110.839  -0.1718   0.6209   0.3293   0.8190  -0.8492   0.9522  293.774  134.515  242.156  119.394 51.61807 179.8586 
1 1 1   -6   34    6 o  379.353  138.788   1.0977   0.6321   0.6568   0.8048   1.8079   1.0214  317.469  140.258  419.472  170.005 -102.0027 220.3952 
1 1 1   -6   34    7 o  307.153  130.939   0.6159   0.6516   1.5308   0.8839  -0.4731   0.9644  400.177  159.545  253.847  124.131 146.3308 202.1463 
1 1 1   -6   34    8 o  232.670  109.406  -0.0906   0.5997   0.1966   0.7817  -0.5016   0.9350  271.919  126.900  247.109  121.130 24.80965 175.4312 
1 1 1   -6   34    9 o  434.077  140.754   1.5189   0.6425   2.1195   0.8399   0.6718   0.9975  474.473  161.137  307.225  143.368 167.2479 215.6845 
1 1 1   -6   34   10 o  330.281  142.409   0.9789   0.7871   0.9789   0.7871   0.0000   0.0000  330.281  142.409  ?   ?  0.000000 142.4090 
1 1 1   -6   36    1 o  284.902  126.672   0.6192   0.6666   0.4151   0.8569   0.9319   1.0609  271.666  128.659  301.686  142.956 -30.02042 192.3273 
1 1 1   -6   36    2 o  273.970  124.254   0.4965   0.6777   0.1415   0.8407   1.1550   1.1452  255.745  122.840  312.063  148.063 -56.31837 192.3857 
1 1 1   -6   36    3 o  336.317  147.645   1.2818   0.8787   3.1436   1.5783   0.4457   1.0577  375.479  176.843  278.126  134.624 97.35342 222.2545 
1 1 1   -6   36    4 o  224.551  113.044  -1.1007   1.0647  -2.0436   1.3650   0.3641   1.7013  225.708  115.103  283.306  142.658 -57.59799 183.3029 
1 1 1   -6   36    5 o  283.362  142.918   0.4112   1.7462   0.0000   0.0000   0.4112   1.7462  ?   ?   283.362  142.918 0.000000 142.9182 
1 1 1   -6   36    6 o  253.803  126.477  -0.2484   1.1816  -1.6457   1.5811   1.5190   1.7783  241.747  123.336  305.120  152.530 -63.37279 196.1561 
1 1 1   -5    1    1 o  3253.67   27.698   48.746   0.8292   48.518   1.0005   49.246   1.4821  3245.44   33.503  3267.44   49.295 -22.00024 59.60201 
1 1 1   -5    1    2 o  579.290   28.391   1.5453   0.1513   1.5299   0.2156   1.5602   0.2125  574.680   41.040  580.458   40.028 -5.777893 57.32845 
1 1 1   -5    1    3 o  2114.80   26.955   20.593   0.5245   20.539   0.7417   20.647   0.7419  2111.17   38.182  2116.74   38.089 -5.567383 53.93142 
1 1 1   -5    1    4 o  509.299   28.192   1.1982   0.1316   1.3327   0.1918   1.0786   0.1809  536.285   39.147  481.950   41.182 54.33505 56.81949 
1 1 1   -5    1    5 o  2106.03   24.630   20.424   0.4773   20.899   0.6830   19.970   0.6672  2129.49   34.859  2081.65   34.835 47.84155 49.28066 
1 1 1   -5    1    6 o  786.210   27.452   2.8472   0.1986   3.1673   0.2686   2.4612   0.2949  828.925   35.217  728.986   44.179 99.93909 56.49813 
1 1 1   -5    1    7 o  870.312   26.507   3.4885   0.2123   3.8097   0.3072   3.1950   0.2937  909.057   36.724  832.414   38.341 76.64331 53.09139 
1 1 1   -5    1    8 o  1638.41   25.119   12.360   0.3787   12.418   0.5408   12.305   0.5305  1641.55   35.800  1634.11   35.281 7.439697 50.26341 
1 1 1   -5    1    9 o  1056.44   28.188   5.1394   0.2740   5.2641   0.3929   5.0213   0.3823  1068.71   39.958  1043.79   39.806 24.92419 56.40151 
1 1 1   -5    1   10 o  658.729   49.488   2.0135   0.2978   1.7352   0.4040   2.3444   0.4406  607.760   73.759  708.605   68.416 -100.8447 100.6043 
1 1 1   -5    1   11 o  932.199   32.635   4.0055   0.2799   4.1122   0.3975   3.9005   0.3943  943.685   45.775  917.820   46.845 25.86536 65.49609 
1 1 1   -5    1   12 o  1587.59   42.313   11.654   0.6181   12.133   0.8814   11.191   0.8670  1616.00   59.277  1551.65   60.727 64.35779 84.86207 
1 1 1   -5    1   13 o  220.303   77.518   0.2032   0.1950   0.0603   0.2652   0.3716   0.2878  205.942   85.380  284.755   94.299 -78.81219 127.2084 
1 1 1   -5    1   14 o  921.422   37.457   3.9358   0.3176   4.0523   0.4463   3.8162   0.4520  930.236   52.355  901.909   54.722 28.32697 75.73305 
1 1 1   -5    1   15 o  1361.48   34.509   8.5967   0.4323   8.8974   0.6203   8.3126   0.6029  1379.59   48.864  1333.36   49.136 46.22461 69.29716 
1 1 1   -5    1   16 o  534.953   55.716   1.3615   0.2702   1.5775   0.3945   1.1706   0.3709  568.105   77.498  484.590   86.341 83.51471 116.0202 
1 1 1   -5    1   17 o  726.708   47.031   2.4822   0.3128   1.9435   0.4231   3.1316   0.4646  632.562   74.089  810.215   62.806 -177.6526 97.12768 
1 1 1   -5    1   18 o  575.036   57.977   1.5755   0.3026   2.3647   0.4338   0.8280   0.4222  701.459   68.073  398.814  110.989 302.6457 130.2011 
1 1 1   -5    1   19 o  574.776   58.129   1.5723   0.3032   1.9774   0.4499   1.2351   0.4104  637.237   78.377  495.682   93.413 141.5549 121.9383 
1 1 1   -5    1   20 o  492.646   74.048   1.1792   0.3253   1.0480   0.4465   1.3275   0.4748  451.831  108.717  511.391  104.440 -59.55991 150.7548 
1 1 1   -5    1   21 o  633.320   90.478   1.9658   0.5123   1.4962   0.6996   2.5089   0.7523  530.694  140.896  701.686  120.873 -170.9918 185.6399 
1 1 1   -5    1   22 o  204.234   88.981  -0.0327   0.3138  -0.4865   0.4273   0.4987   0.4624  189.565   90.087  332.895  119.120 -143.3292 149.3494 
1 1 1   -5    1   23 o  295.863  117.728   0.2859   0.4804  -0.4595   0.6693   1.0784   0.6901  253.928  118.141  450.904  145.839 -196.9752 187.6865 
1 1 1   -5    1   24 o  344.910  107.731   0.6059   0.3794   0.6406   0.5369   0.5713   0.5362  361.045  128.445  348.532  127.776 12.51315 181.1769 
1 1 1   -5    1   25 o  664.551   78.190   2.1852   0.4690   1.8427   0.6538   2.5481   0.6731  578.351  126.392  697.288  108.423 -118.9371 166.5244 
1 1 1   -5    1   26 o  272.074  107.364   0.2963   0.3965   0.6032   0.5692   0.0071   0.5526  342.919  130.438  260.158  115.518 82.76053 174.2364 
1 1 1   -5    3    1 o  2165.37   37.451   21.606   0.7462   21.347   1.0482   21.872   1.0625  2150.67   52.969  2176.97   53.041 -26.30200 74.95992 
1 1 1   -5    3    2 o  974.570   23.331   4.3725   0.2092   4.3384   0.2685   4.4252   0.3339  970.569   30.064  979.966   37.025 -9.396423 47.69348 
1 1 1   -5    3    3 o  1135.02   22.462   5.9306   0.2346   5.8185   0.3316   6.0429   0.3319  1123.89   32.067  1145.39   31.492 -21.49622 44.94507 
1 1 1   -5    3    4 o  605.873   27.278   1.6905   0.1521   1.8108   0.2216   1.5835   0.2090  625.567   38.694  584.781   39.074 40.78564 54.99109 
1 1 1   -5    3    5 o  1161.05   25.941   6.2082   0.2771   6.2490   0.3931   6.1678   0.3908  1164.29   36.690  1156.69   36.720 7.595459 51.90842 
1 1 1   -5    3    6 o  1778.48   26.296   14.568   0.4303   15.236   0.6218   13.954   0.5962  1817.82   37.171  1739.64   37.247 78.18213 52.62105 
1 1 1   -5    3    7 o  1524.91   27.966   10.711   0.3924   10.756   0.5573   10.667   0.5526  1527.22   39.659  1520.91   39.487 6.310669 55.96478 
1 1 1   -5    3    8 o  4563.10   25.373   95.872   1.0653   94.684   1.3914   97.555   1.6562  4533.47   33.354  4600.53   39.124 -67.06201 51.41234 
1 1 1   -5    3    9 o  1509.66   28.587   10.495   0.3971   10.694   0.5320   10.244   0.5968  1523.40   37.950  1490.61   43.509 32.79138 57.73437 
1 1 1   -5    3   10 o  1947.38   38.045   17.480   0.6817   16.992   0.9418   18.017   0.9881  1918.32   53.354  1975.16   54.367 -56.83215 76.17355 
1 1 1   -5    3   11 o  506.688   42.417   1.1935   0.1959   1.5640   0.2907   0.8851   0.2652  578.748   55.261  431.379   69.160 147.3696 88.52612 
1 1 1   -5    3   12 o  1413.29   43.587   9.2425   0.5668   9.1345   0.7975   9.3527   0.8058  1400.95   61.861  1417.60   61.778 -16.64966 87.42562 
1 1 1   -5    3   13 o  1165.60   33.245   6.2807   0.3566   6.3238   0.5072   6.2385   0.5014  1166.78   47.238  1158.94   47.019 7.846191 66.64999 
1 1 1   -5    3   14 o  1040.86   35.887   5.0206   0.3437   5.3473   0.4929   4.7114   0.4795  1070.55   50.035  1003.00   52.140 67.54779 72.26342 
1 1 1   -5    3   15 o  894.803   40.019   3.7246   0.3295   3.7332   0.4608   3.7156   0.4713  889.298   56.612  886.595   58.091 2.702332 81.11430 
1 1 1   -5    3   16 o  619.091   48.860   1.8068   0.2761   1.9388   0.3880   1.6713   0.3929  634.781   67.457  586.048   74.553 48.73236 100.5416 
1 1 1   -5    3   17 o  766.053   47.056   2.7575   0.3301   2.3165   0.4421   3.3132   0.4963  692.879   70.310  832.233   65.328 -139.3539 95.97479 
1 1 1   -5    3   18 o  1029.89   42.083   4.9472   0.3988   4.9911   0.5600   4.9021   0.5681  1025.89   59.574  1015.92   61.058 9.972168 85.30669 
1 1 1   -5    3   19 o  701.112   52.885   2.3201   0.3387   2.4627   0.4900   2.1898   0.4686  713.247   75.820  671.538   77.248 41.70953 108.2404 
1 1 1   -5    3   20 o  491.068   72.327   1.1688   0.3170   1.0219   0.4293   1.3450   0.4702  447.114  105.962  515.707  102.696 -68.59320 147.5612 
1 1 1   -5    3   21 o  856.409   74.822   3.5081   0.5837   3.5892   0.8253   3.4270   0.8257  849.454  108.025  828.006  111.184 21.44806 155.0206 
1 1 1   -5    3   22 f  279.715   99.918   0.3391   0.3252   0.1751   0.4503   0.5178   0.4700  273.461  112.099  337.336  120.169 -63.87491 164.3379 
1 1 1   -5    3   23 f  391.424  122.128   0.7865   0.4877   1.4809   0.7353   0.2411   0.6517  520.661  147.027  319.477  133.260 201.1835 198.4317 
1 1 1   -5    3   24 o  473.164   94.949   1.1401   0.3990   2.1059   0.6022   0.3843   0.5328  640.821  105.824  316.336  124.572 324.4850 163.4524 
1 1 1   -5    3   25 o  769.674   67.454   2.8774   0.4729   2.4719   0.6485   3.3378   0.6911  687.515  105.916  809.790   94.523 -122.2751 141.9602 
1 1 1   -5    3   26 o  508.845  102.459   1.3897   0.4631   1.8327   0.6619   0.9649   0.6482  562.628  130.402  403.875  141.376 158.7534 192.3332 
1 1 1   -5    5    1 o  1964.49   29.921   17.776   0.5409   18.319   0.6466   16.511   0.9870  1993.81   35.244  1890.52   56.737 103.2927 66.79223 
1 1 1   -5    5    2 o  520.576   28.398   1.2518   0.1355   1.2318   0.1817   1.2770   0.2034  515.491   38.585  524.506   42.520 -9.014465 57.41724 
1 1 1   -5    5    3 o  2127.40   21.994   20.836   0.4305   21.263   0.6155   20.428   0.6025  2148.34   31.137  2105.72   31.093 42.61865 44.00305 
1 1 1   -5    5    4 o  2130.83   23.382   20.907   0.4585   20.736   0.6469   21.079   0.6498  2121.24   33.143  2138.70   33.018 -17.45874 46.78312 
1 1 1   -5    5    5 o  1715.38   25.073   13.551   0.3958   13.845   0.5665   13.272   0.5531  1732.98   35.526  1696.74   35.428 36.23975 50.17188 
1 1 1   -5    5    6 o  695.656   31.370   2.2299   0.2008   2.4473   0.2914   2.0332   0.2771  726.961   43.764  662.149   45.764 64.81201 63.32154 
1 1 1   -5    5    7 o  1262.81   28.848   7.3450   0.3352   7.6118   0.4856   7.1022   0.4633  1284.82   41.076  1241.10   40.567 43.71997 57.73174 
1 1 1   -5    5    8 o  2759.56   28.174   35.068   0.7154   36.428   1.0456   33.870   0.9810  2811.24   40.420  2710.86   39.327 100.3728 56.39527 
1 1 1   -5    5    9 o  1083.51   36.496   5.4098   0.3639   5.5829   0.5855   5.3008   0.4644  1097.89   58.165  1071.99   47.083 25.89734 74.83344 
1 1 1   -5    5   10 o  2490.99   33.782   28.597   0.7743   28.036   0.9928   29.467   1.2372  2465.04   43.770  2525.46   53.239 -60.42139 68.92166 
1 1 1   -5    5   11 o  2084.14   30.156   20.026   0.5783   20.923   0.7848   18.961   0.8555  2128.61   40.070  2025.16   45.906 103.4504 60.93459 
1 1 1   -5    5   12 o  543.330   75.650   1.4105   0.3680   1.7339   0.4704   0.9005   0.5906  599.986   87.798  428.493  134.517 171.4934 160.6336 
1 1 1   -5    5   13 o  666.199   41.657   2.0666   0.2541   1.9995   0.3580   2.1346   0.3606  650.965   60.465  673.221   58.804 -22.25653 84.34381 
1 1 1   -5    5   14 f  1277.31   33.815   7.5588   0.3974   6.7817   0.5438   8.4495   0.5822  1205.27   49.037  1346.13   47.006 -140.8563 67.92773 
1 1 1   -5    5   15 o  1333.27   34.663   8.2503   0.4253   8.4293   0.5974   8.0665   0.6054  1342.12   48.377  1312.11   50.146 30.01794 69.67767 
1 1 1   -5    5   16 o  879.240   41.953   3.6070   0.3394   3.9985   0.4931   3.2545   0.4679  917.915   58.689  826.290   61.991 91.62482 85.36585 
1 1 1   -5    5   17 o  393.585   77.017   0.7692   0.2689   0.8074   0.3910   0.7349   0.3705  394.452  105.629  377.198  103.574 17.25385 147.9355 
1 1 1   -5    5   18 o  743.012   50.130   2.6007   0.3407   1.9977   0.4748   3.2412   0.4893  637.630   82.882  823.518   65.099 -185.8880 105.3911 
1 1 1   -5    5   19 o  741.386   52.839   2.5923   0.3581   2.7122   0.5140   2.4792   0.4992  749.070   75.600  715.216   77.077 33.85480 107.9641 
1 1 1   -5    5   20 o  528.444   82.813   1.3681   0.3895   2.0555   0.6715   1.0198   0.4781  632.196  119.822  444.126  115.790 188.0696 166.6272 
1 1 1   -5    5   21 o  295.020  106.851   0.3724   0.3733   0.5876   0.5303   0.1610   0.5256  357.452  127.608  287.766  119.829 69.68616 175.0503 
1 1 1   -5    5   22 o  253.120   98.625   0.2135   0.3310   0.8736   0.4880  -0.3489   0.4505  411.980  120.854  208.522   96.985 203.4576 154.9569 
1 1 1   -5    5   23 o  871.501   78.016   3.6716   0.6190   3.9751   0.8951   3.3934   0.8570  885.201  112.421  813.373  117.947 71.82758 162.9416 
1 1 1   -5    5   24 o  326.075  106.646   0.5341   0.3685   1.1314   0.5518   0.0532   0.4951  456.047  126.871  261.179  112.781 194.8677 169.7523 
1 1 1   -5    5   25 o  365.078  111.777   0.7170   0.4107   1.4620   0.5877   0.0055   0.5743  510.938  125.829  267.408  118.294 243.5297 172.7033 
1 1 1   -5    5   26 o  540.210  104.298   1.5760   0.4997   2.1986   0.7443   1.0653   0.6742  610.456  135.992  418.101  144.297 192.3544 198.2812 
1 1 1   -5    7    1 o  851.615   27.625   3.3408   0.2165   3.5724   0.3101   3.1205   0.3024  880.149   38.284  822.518   39.951 57.63086 55.33296 
1 1 1   -5    7    2 o  1791.41   27.285   14.782   0.4498   14.277   0.6295   15.309   0.6429  1759.46   38.879  1821.99   38.345 -62.53369 54.60720 
1 1 1   -5    7    3 o  769.959   31.449   2.7319   0.2228   2.4855   0.3095   2.9971   0.3211  732.304   46.163  804.707   43.521 -72.40308 63.44344 
1 1 1   -5    7    4 o  608.990   34.110   1.7149   0.1904   2.1292   0.2969   1.4255   0.2481  677.346   47.944  553.385   49.235 123.9609 68.72237 
1 1 1   -5    7    5 o  386.668   42.898   0.6982   0.1501   0.6238   0.2306   0.7529   0.1976  360.528   72.019  399.886   55.184 -39.35791 90.73064 
1 1 1   -5    7    6 o  653.395   34.449   1.9728   0.2064   2.3391   0.3206   1.7135   0.2697  710.163   49.364  607.372   48.669 102.7913 69.32156 
1 1 1   -5    7    7 o  982.954   31.012   4.4503   0.2805   4.1515   0.3958   4.7518   0.3975  948.767   45.338  1015.20   42.557 -66.42877 62.18266 
1 1 1   -5    7    8 o  854.861   33.916   3.3667   0.2668   3.4843   0.3858   3.2590   0.3693  867.704   48.518  839.151   48.027 28.55237 68.26849 
1 1 1   -5    7    9 o  1060.21   47.498   5.1874   0.4634   5.9083   0.8363   4.8680   0.5566  1125.33   81.308  1024.49   59.301 100.8350 100.6362 
1 1 1   -5    7   10 o  2498.38   31.204   28.774   0.7174   29.262   1.0231   28.301   1.0061  2517.05   44.174  2475.37   44.170 41.67871 62.46858 
1 1 1   -5    7   11 o  735.432   42.612   2.5103   0.2871   3.1622   0.4276   1.9748   0.3875  823.139   56.796  647.691   65.941 175.4478 87.02879 
1 1 1   -5    7   12 f  614.583   70.464   1.7960   0.3913   1.4954   0.4590   2.5951   0.7484  553.137   93.519  722.921  116.465 -169.7839 149.3646 
1 1 1   -5    7   13 o  593.815   48.465   1.6537   0.2625   1.3509   0.3405   2.0975   0.4122  530.080   71.639  663.469   68.506 -133.3890 99.12224 
1 1 1   -5    7   14 o  866.595   41.646   3.4960   0.3321   3.6068   0.4417   3.3520   0.5036  874.759   55.163  838.946   65.763 35.81354 85.83594 
1 1 1   -5    7   15 o  751.136   46.775   2.6499   0.3217   3.0864   0.4321   2.1072   0.4818  806.298   58.643  655.642   81.633 150.6558 100.5134 
1 1 1   -5    7   16 o  635.857   51.229   1.9119   0.2972   1.7163   0.4187   2.1106   0.4219  591.376   78.907  660.606   70.504 -69.23004 105.8160 
1 1 1   -5    7   17 o  226.693   85.693   0.1942   0.2447   0.5270   0.3614  -0.0876   0.3325  325.294  105.578  200.417   89.266 124.8766 138.2574 
1 1 1   -5    7   18 o  693.326   51.473   2.2689   0.3260   2.4595   0.4716   2.0945   0.4513  713.260   72.881  656.242   76.144 57.01776 105.4020 
1 1 1   -5    7   19 o  375.835   86.466   0.7092   0.2928   0.7136   0.4144   0.7049   0.4137  373.424  111.839  371.379  111.861 2.044952 158.1800 
1 1 1   -5    7   20 o  1374.46   49.076   8.8214   0.6207   9.2369   0.9037   8.4504   0.8539  1393.87   70.693  1333.59   69.830 60.28430 99.36668 
1 1 1   -5    7   21 o  776.178   63.673   2.8567   0.4508   2.8357   0.6293   2.8787   0.6459  761.515   91.653  766.410   93.529 -4.895630 130.9505 
1 1 1   -5    7   22 o  255.370   99.799   0.2169   0.3397   0.4798   0.5164   0.0163   0.4511  334.761  124.899  249.756  107.746 85.00481 164.9517 
1 1 1   -5    7   23 o  391.514  114.685   0.7975   0.4397   0.7935   0.6455   0.8009   0.6006  396.620  140.874  395.565  136.216 1.054962 195.9600 
1 1 1   -5    7   24 o  286.309  106.417   0.3587   0.3741   0.3532   0.5424   0.3637   0.5168  310.203  124.528  308.080  122.252 2.123413 174.5069 
1 1 1   -5    7   25 o  245.888  102.963   0.1412   0.3912   0.3122   0.5768  -0.0044   0.5322  302.989  125.794  256.418  113.635 46.57071 169.5200 
1 1 1   -5    9    1 o  1442.31   28.440   9.5838   0.3775   9.6709   0.5348   9.4973   0.5328  1447.89   40.139  1434.81   40.357 13.07837 56.91969 
1 1 1   -5    9    2 o  1500.46   28.873   10.372   0.3986   10.751   0.5772   10.027   0.5512  1526.53   41.090  1474.31   40.634 52.21948 57.78830 
1 1 1   -5    9    3 o  891.339   31.880   3.6611   0.2615   3.5013   0.3700   3.8205   0.3696  869.668   46.403  909.880   44.140 -40.21179 64.04362 
1 1 1   -5    9    4 o  1082.16   32.859   5.3962   0.3272   5.7515   0.4767   5.0797   0.4499  1116.36   46.405  1049.12   46.605 67.24219 65.76855 
1 1 1   -5    9    5 o  3030.95   31.280   42.319   0.8724   42.067   1.2389   42.567   1.2287  3019.94   44.583  3037.98   43.952 -18.03564 62.60511 
1 1 1   -5    9    6 o  937.956   37.198   4.0543   0.3210   4.5632   0.4824   3.6498   0.4301  992.830   52.996  887.620   52.904 105.2102 74.88297 
1 1 1   -5    9    7 o  182.104   70.784   0.0948   0.1702   0.1090   0.2468   0.0819   0.2350  212.381   84.414  202.307   81.704 10.07352 117.4793 
1 1 1   -5    9    8 o  1375.39   37.810   8.7207   0.4785   8.9517   0.9416   8.6403   0.5556  1387.63   74.012  1368.53   44.121 19.10046 86.16535 
1 1 1   -5    9    9 o  1302.50   48.423   7.8409   0.5804   8.7762   1.1251   7.5018   0.6774  1367.61   89.907  1272.79   57.843 94.82556 106.9063 
1 1 1   -5    9   10 f  1584.72   34.229   11.593   0.4991   11.654   0.7271   11.539   0.6864  1585.87   49.827  1578.63   47.253 7.245361 68.67016 
1 1 1   -5    9   11 o  779.660   61.512   2.8564   0.4377   2.9289   0.5475   2.7280   0.7287  785.067   76.771  745.359  109.511 39.70819 133.7404 
1 1 1   -5    9   12 o  468.021   60.943   1.0433   0.2562   0.6424   0.3432   1.5481   0.3851  358.878  100.136  567.160   75.680 -208.2826 125.5178 
1 1 1   -5    9   13 o  365.457   76.773   0.6598   0.2500   0.5661   0.3429   0.7661   0.3652  336.892  101.909  388.230  101.199 -51.33850 143.6199 
1 1 1   -5    9   14 o  724.313   46.683   2.4635   0.3095   2.6511   0.4141   2.2261   0.4659  746.359   60.818  677.108   76.087 69.25055 97.40699 
1 1 1   -5    9   15 o  555.383   56.534   1.4707   0.2849   1.3217   0.3688   1.6912   0.4486  517.217   80.083  583.397   86.154 -66.17993 117.6256 
1 1 1   -5    9   16 o  716.357   51.024   2.4241   0.3341   3.0674   0.4657   1.7413   0.4797  800.658   63.733  589.344   91.426 211.3139 111.4473 
1 1 1   -5    9   17 o  643.694   54.984   1.9666   0.3225   2.0907   0.4346   1.8144   0.4813  656.333   73.207  603.327   89.398 53.00568 115.5473 
1 1 1   -5    9   18 o  501.893   72.669   1.2277   0.3258   1.1768   0.4286   1.2976   0.5016  479.910  100.279  499.092  111.982 -19.18140 150.3192 
1 1 1   -5    9   19 o  539.649   66.474   1.3993   0.3231   1.1599   0.4740   1.6070   0.4416  474.058  110.679  570.936   86.789 -96.87787 140.6492 
1 1 1   -5    9   20 o  1155.35   51.841   6.2432   0.5511   6.2433   0.8167   6.2430   0.7468  1141.16   78.254  1145.08   71.226 -3.927612 105.8149 
1 1 1   -5    9   21 o  718.995   65.595   2.4610   0.4292   3.0976   0.6507   1.9706   0.5711  796.068   90.430  627.617  102.415 168.4509 136.6253 
1 1 1   -5    9   22 o  638.237   81.214   1.9872   0.4662   2.4048   0.6618   1.5762   0.6567  689.162  107.907  543.169  132.555 145.9934 170.9229 
1 1 1   -5    9   23 o  745.071   73.716   2.6935   0.4988   2.5289   0.7303   2.8374   0.6828  694.809  118.482  748.172  101.821 -53.36273 156.2228 
1 1 1   -5    9   24 o  278.297  107.031   0.3181   0.3859   0.0210   0.5443   0.6185   0.5473  264.555  116.170  351.016  129.032 -86.46100 173.6221 
1 1 1   -5    9   25 o  276.515  108.781   0.3153   0.4059   0.0199   0.5719   0.6152   0.5761  264.662  117.516  344.532  131.182 -79.87006 176.1210 
1 1 1   -5   11    1 o  1075.59   31.578   5.3298   0.3125   5.6264   0.4485   5.0498   0.4358  1104.41   44.132  1046.22   45.264 58.19238 63.21788 
1 1 1   -5   11    2 o  801.208   33.972   2.9579   0.2505   3.2297   0.3644   2.7145   0.3448  835.249   47.607  765.331   49.228 69.91772 68.48215 
1 1 1   -5   11    3 o  210.617   64.122   0.2058   0.1354   0.1548   0.1964   0.2521   0.1870  208.025   77.139  236.275   75.864 -28.25072 108.1934 
1 1 1   -5   11    4 o  2046.01   31.699   19.284   0.5968   20.189   0.8697   18.479   0.8204  2092.12   45.178  2001.63   44.542 90.48779 63.44331 
1 1 1   -5   11    5 o  1607.33   33.653   11.903   0.4977   11.396   0.6958   12.435   0.7123  1571.54   48.115  1641.72   47.151 -70.18567 67.36678 
1 1 1   -5   11    6 o  1576.01   35.599   11.447   0.5163   10.343   0.7101   12.685   0.7518  1496.64   51.566  1657.73   49.288 -161.0911 71.33286 
1 1 1   -5   11    7 o  550.508   56.389   1.4160   0.2816   0.9260   0.4547   1.7210   0.3587  436.008  112.556  606.052   65.356 -170.0447 130.1547 
1 1 1   -5   11    8 o  220.913   87.886   0.1212   0.2677  -0.4348   0.5467   0.2966   0.3070  232.835  107.790  271.250   97.067 -38.41429 145.0542 
1 1 1   -5   11    9 f  1431.27   38.132   9.4673   0.5022   9.9176   0.7863   9.1571   0.6526  1460.49   58.509  1405.26   50.473 55.22986 77.27127 
1 1 1   -5   11   10 o  241.821   80.858   0.2624   0.2115   0.3691   0.3248   0.1840   0.2786  289.294  100.141  236.159   90.909 53.13507 135.2502 
1 1 1   -5   11   11 o  983.801   56.340   4.5412   0.5079   4.8730   0.6282   3.9149   0.8631  1014.93   67.651  890.575  107.504 124.3503 127.0187 
1 1 1   -5   11   12 o  641.380   53.899   1.9410   0.3152   1.4544   0.5058   2.2496   0.4029  535.160  106.466  687.308   64.460 -152.1486 124.4596 
1 1 1   -5   11   13 o  1226.27   44.650   7.0239   0.5038   6.9344   0.7914   7.0848   0.6533  1202.28   71.866  1225.30   57.942 -23.02197 92.31505 
1 1 1   -5   11   14 o  505.224   74.002   1.2507   0.3338   1.3325   0.5302   1.1970   0.4297  501.297  117.058  482.683  100.036 18.61438 153.9794 
1 1 1   -5   11   15 o  281.371   93.221   0.3822   0.2813   0.1777   0.3707   0.6597   0.4318  252.112  102.328  357.896  115.325 -105.7842 154.1780 
1 1 1   -5   11   16 o  936.708   46.047   4.1100   0.3969   4.5753   0.5488   3.6000   0.5746  979.954   61.172  862.433   73.096 117.5207 95.31532 
1 1 1   -5   11   17 o  953.263   46.607   4.2554   0.4088   4.0429   0.5462   4.5262   0.6164  919.538   64.972  970.602   69.482 -51.06390 95.12695 
1 1 1   -5   11   18 o  483.999   72.585   1.1419   0.3133   1.5901   0.4348   0.6578   0.4518  567.026   86.037  361.059  118.083 205.9669 146.1025 
1 1 1   -5   11   19 o  479.691   78.973   1.1271   0.3364   1.3493   0.4646   0.8821   0.4879  516.894  101.302  412.809  120.770 104.0851 157.6305 
1 1 1   -5   11   20 o  194.120   91.001  -0.3707   0.4096  -0.5560   0.5955  -0.2044   0.5642  229.853  108.369  252.623  114.082 -22.77054 157.3488 
1 1 1   -5   11   21 o  304.523  104.457   0.4333   0.3530   0.4408   0.4761   0.4243   0.5262  321.870  119.959  326.016  125.072 -4.145996 173.3008 
1 1 1   -5   11   22 o  470.223  117.220   1.1658   0.5054   1.3306   0.6548   0.9229   0.7949  493.150  138.565  424.190  155.565 68.95944 208.3284 
1 1 1   -5   11   23 o  430.667  116.484   0.9980   0.4727   1.4881   0.6785   0.5354   0.6591  512.779  139.902  351.117  138.465 161.6620 196.8378 
1 1 1   -5   11   24 o  284.267  105.972   0.3697   0.3716   0.2615   0.5120   0.4901   0.5401  286.530  118.700  324.901  126.152 -38.37036 173.2166 
1 1 1   -5   11   25 o  290.326  112.457   0.3881   0.4284  -0.2252   0.6074   0.9952   0.6043  245.720  113.706  405.709  136.684 -159.9887 177.7966 
1 1 1   -5   13    1 o  1653.76   32.630   12.602   0.4965   12.652   0.6989   12.550   0.7055  1655.88   45.872  1649.12   46.493 6.756470 65.31336 
1 1 1   -5   13    2 o  1853.32   32.353   15.826   0.5517   16.019   0.7761   15.628   0.7846  1863.31   45.264  1840.31   46.331 23.00256 64.77179 
1 1 1   -5   13    3 o  2292.01   32.071   24.206   0.6764   24.779   0.9668   23.656   0.9466  2317.27   45.341  2264.13   45.437 53.14209 64.18951 
1 1 1   -5   13    4 o  1431.49   34.483   9.4453   0.4542   9.4873   0.6525   9.4058   0.6327  1433.26   49.476  1427.24   48.174 6.027710 69.05523 
1 1 1   -5   13    5 o  829.952   44.290   3.1894   0.3370   3.5247   0.5653   3.0045   0.4198  868.414   71.378  803.738   57.129 64.67664 91.42537 
1 1 1   -5   13    6 o  879.756   46.323   3.5880   0.3737   3.7846   0.6303   3.4814   0.4640  897.791   77.040  864.573   58.674 33.21832 96.83894 
1 1 1   -5   13    7 o  1113.19   40.148   5.7281   0.4112   5.9110   0.6001   5.5661   0.5647  1126.50   58.091  1093.46   56.313 33.03723 80.90540 
1 1 1   -5   13    8 o  242.341   91.189   0.2113   0.2764   0.2384   0.5959   0.2038   0.3120  317.497  129.412  249.403   96.146 68.09430 161.2187 
1 1 1   -5   13    9 o  1433.57   41.915   9.5338   0.5529   9.2278   0.7877   9.8309   0.7762  1403.95   60.977  1450.23   58.170 -46.28174 84.27277 
1 1 1   -5   13   10 o  758.746   74.642   2.7566   0.5144   2.7566   0.5144   0.0000   0.0000  758.746   74.642  ?   ?  0.000000 74.64230 
1 1 1   -5   13   11 f  620.499   58.104   1.8270   0.3279   2.0033   0.4971   1.6912   0.4363  638.666   86.836  587.641   82.989 51.02563 120.1153 
1 1 1   -5   13   12 f  243.687   89.003   0.2479   0.2598   0.0931   0.3737   0.3927   0.3615  239.523  100.486  294.426  105.325 -54.90300 145.5708 
1 1 1   -5   13   13 o  533.838   67.124   1.3814   0.3224   0.9558   0.4795   1.7328   0.4357  423.126  118.455  591.815   82.225 -168.6885 144.1959 
1 1 1   -5   13   14 o  418.532   85.332   0.8851   0.3175   0.7289   0.5301   0.9724   0.3965  374.815  128.003  432.411  101.401 -57.59641 163.3006 
1 1 1   -5   13   15 f  463.232   81.361   1.0706   0.3341   2.1103   0.5898   0.5792   0.4055  641.520  103.434  338.410  111.924 303.1105 152.3999 
1 1 1   -5   13   16 o  378.521   97.418   0.7388   0.3413   1.1159   0.5516   0.5048   0.4344  453.776  127.066  325.270  115.563 128.5066 171.7569 
1 1 1   -5   13   17 o  552.596   70.164   1.4807   0.3487   1.6504   0.4967   1.3158   0.4897  570.964   98.081  503.333  108.896 67.63150 146.5541 
1 1 1   -5   13   18 o  274.901  101.039   0.3170   0.3356   0.0343   0.4765   0.5953   0.4727  257.375  110.889  350.307  120.834 -92.93277 164.0034 
1 1 1   -5   13   19 o  451.794  113.213   1.0545   0.4697   1.7573   0.7088   0.5042   0.6272  574.248  136.196  352.846  136.240 221.4017 192.6416 
1 1 1   -5   13   20 o  768.394   68.105   2.8209   0.4765   3.4681   0.7829   2.4401   0.6006  833.148  104.422  701.836   95.480 131.3115 141.4934 
1 1 1   -5   13   21 o  792.287   66.150   3.0015   0.4778   3.5300   0.6829   2.4945   0.6688  847.313   88.920  700.802  107.118 146.5114 139.2159 
1 1 1   -5   13   22 o  467.181  106.450   1.1424   0.4474   1.5520   0.6414   0.7543   0.6244  531.407  131.811  384.039  138.320 147.3684 191.0669 
1 1 1   -5   13   23 o  509.477  121.995   1.4360   0.5643   1.6899   0.8379   1.2252   0.7635  523.540  159.531  453.096  153.627 70.44382 221.4752 
1 1 1   -5   13   24 o  338.133  119.360   0.6182   0.4627   0.4460   0.6398   0.8071   0.6700  323.479  133.228  376.220  141.890 -52.74155 194.6342 
1 1 1   -5   15    1 o  1676.30   50.097   13.007   0.7727   0.0000   0.0000   13.007   0.7727  ?   ?   1676.30   50.097 0.000000 50.09663 
1 1 1   -5   15    2 o  2632.91   48.027   32.076   1.1636   0.0000   0.0000   32.076   1.1636  ?   ?   2632.91   48.027 0.000000 48.02682 
1 1 1   -5   15    3 o  1107.33   40.863   5.6665   0.4164   5.4256   0.6440   5.8395   0.5457  1077.95   65.238  1122.45   52.839 -44.49231 83.95210 
1 1 1   -5   15    4 o  708.708   46.549   2.3356   0.3019   1.8325   0.4355   2.8010   0.4188  620.889   77.946  774.002   59.253 -153.1129 97.91075 
1 1 1   -5   15    5 f  655.544   46.086   2.0014   0.2762   2.1940   0.4041   1.8325   0.3784  682.561   65.132  622.795   67.095 59.76666 93.50883 
1 1 1   -5   15    6 o  886.478   42.576   3.6427   0.3473   3.9726   0.5070   3.3510   0.4767  920.451   60.187  844.620   61.768 75.83069 86.24269 
1 1 1   -5   15    7 o  635.023   64.045   1.9102   0.3691   2.3588   0.7505   1.7671   0.4239  682.460  124.087  606.389   77.769 76.07037 146.4435 
1 1 1   -5   15    8 o  327.137   84.905   0.5311   0.2578   0.5559   0.3524   0.5025   0.3782  336.159  103.630  325.166  108.118 10.99380 149.7621 
1 1 1   -5   15    9 o  765.391   57.380   2.7685   0.4012   2.8018   0.5267   2.7225   0.6191  762.514   76.090  743.735   92.456 18.77942 119.7406 
1 1 1   -5   15   10 f  673.764   69.925   2.1871   0.4272   2.8616   0.5357   1.0085   0.7081  768.197   76.813  435.031  147.945 333.1659 166.6973 
1 1 1   -5   15   11 o  465.372   78.118   1.0722   0.3227   0.7547   0.4420   1.4345   0.4721  379.632  115.902  529.005  100.671 -149.3724 153.5189 
1 1 1   -5   15   12 o  587.599   67.944   1.6752   0.3606   1.7543   0.5212   1.6027   0.4994  584.688  100.507  558.039  100.965 26.64856 142.4625 
1 1 1   -5   15   13 o  195.696   86.760  -0.0639   0.3106   0.1695   0.4739  -0.2396   0.4112  271.540  113.484  204.766   94.329 66.77411 147.5686 
1 1 1   -5   15   14 o  657.596   63.340   2.0806   0.3785   2.6600   0.6225   1.7406   0.4768  725.513   95.564  587.447   91.166 138.0660 132.0750 
1 1 1   -5   15   15 o  218.345   90.317   0.0972   0.2958   0.2702   0.5061   0.0075   0.3645  293.235  119.365  222.656   96.453 70.57881 153.4641 
1 1 1   -5   15   16 o  329.119  101.801   0.5490   0.3397  -0.0506   0.5178   1.0022   0.4501  254.337  112.427  436.096  111.684 -181.7593 158.4707 
1 1 1   -5   15   17 o  171.178   81.095  -0.3678   0.3410  -0.3653   0.5801  -0.3691   0.4215  239.393  110.899  196.726   92.252 42.66760 144.2538 
1 1 1   -5   15   18 o  395.082   94.408   0.7900   0.3385   0.4425   0.4631   1.1890   0.4962  320.118  118.505  478.704  114.230 -158.5869 164.5965 
1 1 1   -5   15   19 o  355.582  119.049   0.6233   0.4584   0.7922   0.6975   0.4950   0.6082  402.823  146.032  347.933  134.209 54.88977 198.3368 
1 1 1   -5   15   20 o  471.973  100.265   1.1369   0.4220   2.2950   0.6989   0.4725   0.5294  664.849  118.594  332.585  125.961 332.2638 173.0051 
1 1 1   -5   15   21 o  545.523  117.328   1.5779   0.5715   2.6122   0.7986   0.4926   0.8181  697.133  129.255  365.780  150.649 331.3535 198.4987 
1 1 1   -5   15   22 o  269.734  117.670   0.0571   0.5504   0.0703   0.8526   0.0477   0.7206  320.554  142.841  298.876  132.348 21.67752 194.7294 
1 1 1   -5   15   23 o  207.030   96.359  -0.2728   0.4459  -0.8826   0.6720   0.2070   0.5961  216.486  105.371  289.646  124.398 -73.15962 163.0272 
1 1 1   -5   15   24 o  415.932  149.440   1.1253   0.7284   1.6117   0.8611  -0.0980   1.3656  479.019  163.154  340.157  161.478 138.8620 229.5524 
1 1 1   -5   17    1 o  850.976   44.317   3.3720   0.3458   3.3303   0.4860   3.4148   0.4922  840.488   63.307  851.154   63.293 -10.66583 89.51988 
1 1 1   -5   17    2 o  903.188   42.939   3.7869   0.3569   4.0983   0.5048   3.4759   0.5045  934.117   59.033  858.288   64.352 75.82886 87.32802 
1 1 1   -5   17    3 o  1066.89   40.287   5.2798   0.3955   6.2734   0.5945   4.4907   0.5298  1158.65   55.758  977.658   59.167 180.9898 81.29992 
1 1 1   -5   17    4 o  386.100   68.926   0.7230   0.2359   0.5031   0.3285   0.9572   0.3390  321.604  100.208  440.359   86.745 -118.7558 132.5378 
1 1 1   -5   17    5 o  740.049   47.727   2.5633   0.3233   2.6895   0.4725   2.4523   0.4432  751.281   69.129  717.544   67.939 33.73676 96.92474 
1 1 1   -5   17    6 o  332.122  100.386   0.5488   0.3328  -0.3673   0.5613   1.0452   0.4132  236.464  109.383  453.890  101.487 -217.4260 149.2115 
1 1 1   -5   17    7 o  448.263   90.984   1.0094   0.3625   1.8557   0.7197   0.7217   0.4196  587.859  135.782  375.266  112.560 212.5931 176.3703 
1 1 1   -5   17    8 o  743.805   57.374   2.6265   0.3896   2.3711   0.4923   3.0549   0.6375  697.417   78.051  785.838   89.779 -88.42084 118.9626 
1 1 1   -5   17    9 o  712.355   68.353   2.4499   0.4425   2.6397   0.5327   2.0270   0.7951  733.351   80.246  600.268  145.477 133.0834 166.1419 
1 1 1   -5   17   10 o  642.604   61.395   1.9836   0.3586   2.0473   0.5110   1.9218   0.5034  638.531   89.419  617.237   91.400 21.29480 127.8658 
1 1 1   -5   17   11 o  777.964   65.953   2.9225   0.4677   3.4041   0.7919   2.6646   0.5795  809.015  109.169  729.402   88.135 79.61292 140.3057 
1 1 1   -5   17   12 o  762.497   60.150   2.7863   0.4186   3.3982   0.6195   2.2720   0.5679  828.710   82.324  668.558   94.982 160.1517 125.6934 
1 1 1   -5   17   13 o  378.637   99.062   0.7483   0.3491   1.1516   0.5317   0.4428   0.4628  458.923  123.291  313.961  118.030 144.9626 170.6807 
1 1 1   -5   17   14 o  225.360   95.485   0.0658   0.3429   0.3947   0.5279  -0.1741   0.4509  314.901  124.007  222.756  101.150 92.14545 160.0285 
1 1 1   -5   17   15 o  438.763  101.014   0.9985   0.3994   1.6747   0.6285   0.5406   0.5172  556.867  125.652  339.490  125.331 217.3773 177.4716 
1 1 1   -5   17   16 o  587.974   77.136   1.6902   0.4073   0.4787   0.5862   2.8202   0.5662  339.368  131.525  758.830   82.412 -419.4622 155.2116 
1 1 1   -5   17   17 o  973.665   64.346   4.5101   0.5732   4.6943   1.0772   4.4373   0.6771  951.407  126.157  958.779   77.406 -7.371948 148.0110 
1 1 1   -5   17   18 o  532.065  136.471   1.5282   0.6714   0.0000   0.0000   1.5282   0.6714  ?   ?   532.065  136.471 0.000000 136.4711 
1 1 1   -5   17   19 o  612.975   96.169   1.8864   0.5246   2.5652   1.0639   1.6684   0.6030  661.730  172.841  563.203  120.020 98.52692 210.4251 
1 1 1   -5   17   20 o  291.515  108.853   0.3655   0.3924  -0.1973   0.5175   1.1264   0.6017  237.969  108.178  452.372  134.598 -214.4028 172.6816 
1 1 1   -5   17   21 o  323.206  117.204   0.5095   0.4494   0.1402   0.5464   1.2814   0.7899  279.166  119.478  463.724  156.270 -184.5580 196.7111 
1 1 1   -5   17   22 o  292.416  120.165   0.3109   0.5191   0.2721   0.7558   0.3455   0.7142  318.679  138.471  321.614  137.092 -2.934296 194.8545 
1 1 1   -5   17   23 o  333.695  119.971   0.6188   0.4695   1.6411   0.6854  -0.2853   0.6445  510.160  141.201  245.582  114.816 264.5782 181.9899 
1 1 1   -5   19    1 o  814.777   54.470   3.1360   0.4060   3.3587   0.5165   2.7760   0.6568  837.567   67.599  744.999   98.204 92.56866 119.2210 
1 1 1   -5   19    2 o  402.644   77.745   0.8035   0.2776   0.7128   0.3458   0.9680   0.4657  373.106   99.053  429.526  115.383 -56.42072 152.0683 
1 1 1   -5   19    3 o  898.094   50.888   3.7975   0.4188   3.5906   0.5193   4.1827   0.7084  866.695   65.597  924.972   84.156 -58.27777 106.7016 
1 1 1   -5   19    4 o  963.128   65.835   4.4371   0.5800   4.4348   0.9550   4.4384   0.7300  928.908  114.126  951.927   84.207 -23.01929 141.8295 
1 1 1   -5   19    5 o  269.327  101.932   0.2918   0.3465   0.9051   0.6778   0.0748   0.4032  412.812  144.563  243.179  103.317 169.6324 177.6878 
1 1 1   -5   19    6 o  832.689   49.908   3.2736   0.3806   3.4963   0.5383   3.0508   0.5384  850.766   69.361  791.312   74.824 59.45416 102.0269 
1 1 1   -5   19    7 o  258.462   90.803   0.3065   0.2675  -0.1552   0.3587   0.8854   0.4016  198.496   90.166  409.486  105.830 -210.9897 139.0323 
1 1 1   -5   19    8 o  502.280   87.695   1.2793   0.3906   1.1604   0.4349   1.7747   0.8880  469.825  103.398  538.776  164.239 -68.95074 194.0759 
1 1 1   -5   19    9 o  353.670   90.585   0.6477   0.2961   0.7701   0.4397   0.5461   0.4005  378.461  115.615  327.577  111.271 50.88422 160.4618 
1 1 1   -5   19   10 o  777.390   70.985   2.9487   0.5022   2.7104   0.9506   3.0409   0.5914  676.550  155.904  781.177   83.575 -104.6267 176.8922 
1 1 1   -5   19   11 o  690.982   77.498   2.3576   0.4843   3.2797   1.0440   2.1048   0.5466  746.414  156.984  641.508   95.513 104.9052 183.7574 
1 1 1   -5   19   12 o  400.603  119.819   0.8707   0.4759   0.0000   0.0000   0.8707   0.4759  ?   ?   400.603  119.819 0.000000 119.8193 
1 1 1   -5   19   13 o  870.914   68.344   3.6688   0.5433   4.6202   1.0105   3.2820   0.6444  933.374  120.472  810.831   87.764 122.5434 149.0501 
1 1 1   -5   19   14 o  222.564   93.825   0.0709   0.3284   0.8779   0.5413  -0.3990   0.4130  403.881  129.013  190.165   89.838 213.7166 157.2110 
1 1 1   -5   19   15 o  346.335  110.058   0.6101   0.3943   0.7665   0.5665   0.4631   0.5493  385.812  132.324  331.563  127.642 54.24942 183.8533 
1 1 1   -5   19   16 o  247.895  102.027   0.1392   0.3749  -0.0593   0.5263   0.3439   0.5343  256.819  113.444  312.263  124.181 -55.44391 168.1974 
1 1 1   -5   19   17 o  622.933   88.164   1.9206   0.4912   2.2820   0.7655   1.6676   0.6406  654.146  131.727  559.485  127.291 94.66040 183.1804 
1 1 1   -5   19   18 o  526.078  122.699   1.4757   0.5831   1.1653   1.0513   1.6136   0.7007  464.394  177.114  540.710  139.800 -76.31592 225.6399 
1 1 1   -5   19   19 o  1042.35   69.070   5.2390   0.6587   3.4345   1.1326   6.1613   0.8098  763.862  165.887  1123.07   78.857 -359.2053 183.6767 
1 1 1   -5   19   20 o  299.640  123.542   0.2948   0.5509  -0.3209   0.7142   1.1996   0.8657  265.249  122.939  447.909  162.637 -182.6599 203.8747 
1 1 1   -5   19   21 o  309.880  112.879   0.4836   0.4175   0.3124   0.5773   0.6713   0.6044  300.117  125.330  354.707  134.532 -54.59024 183.8655 
1 1 1   -5   19   22 o  379.724  133.765   0.8771   0.5809   0.7551   0.8270   0.9959   0.8160  364.612  150.940  393.389  154.407 -28.77676 215.9269 
1 1 1   -5   19   23 o  349.588  160.110   0.5212   1.1613   0.5212   1.1613   0.0000   0.0000  349.588  160.110  ?   ?  0.000000 160.1096 
1 1 1   -5   21    1 o  331.211   95.939   0.5704   0.3093   1.3229   0.4642  -0.0303   0.4147  500.815  104.119  228.799  100.905 272.0153 144.9911 
1 1 1   -5   21    2 o  299.325  105.605   0.4342   0.3622  -0.2512   0.7202   0.6661   0.4190  272.483  125.271  354.668  113.528 -82.18576 169.0606 
1 1 1   -5   21    3 o  527.883   91.690   1.4276   0.4292   1.5516   0.8640   1.3869   0.4946  501.503  163.251  510.109  108.690 -8.606140 196.1238 
1 1 1   -5   21    4 f  229.542   90.173   0.1829   0.2785   0.1810   0.3825   0.1851   0.4063  252.276  103.354  257.852  106.179 -5.575638 148.1759 
1 1 1   -5   21    5 f  985.563   50.611   4.6078   0.4574   4.6425   0.6247   4.5676   0.6716  976.037   70.025  963.024   76.421 13.01221 103.6511 
1 1 1   -5   21    6 o  684.134   60.141   2.2565   0.3748   2.7732   0.5148   1.6739   0.5466  749.360   75.691  559.314  110.132 190.0463 133.6348 
1 1 1   -5   21    7 o  341.960  109.146   0.6182   0.3875   0.5082   0.4356   1.0353   0.8485  320.264  115.506  423.120  159.656 -102.8559 197.0569 
1 1 1   -5   21    8 o  385.115   95.088   0.7786   0.3349   0.6028   0.5059   0.9158   0.4469  343.604  124.397  409.415  114.275 -65.81134 168.9182 
1 1 1   -5   21    9 o  805.093   72.119   3.1756   0.5286   2.9674   0.7437   3.3882   0.7515  748.144  111.434  806.984  103.592 -58.83923 152.1474 
1 1 1   -5   21   10 o  782.210   62.592   2.9517   0.4467   2.3827   0.6164   3.5811   0.6484  677.149  102.099  846.737   84.339 -169.5874 132.4283 
1 1 1   -5   21   11 f  445.237   91.194   1.0208   0.3610   0.8249   0.5053   1.2252   0.5160  389.021  124.691  473.396  118.685 -84.37531 172.1455 
1 1 1   -5   21   12 o  721.368   68.125   2.5251   0.4468   3.3954   0.6920   1.9026   0.5852  819.849   93.396  601.084  109.854 218.7649 144.1902 
1 1 1   -5   21   13 o  535.523   82.333   1.4283   0.3927   1.3513   0.5549   1.5057   0.5559  499.800  121.769  531.172  116.909 -31.37137 168.8056 
1 1 1   -5   21   14 o  203.617   91.039  -0.1013   0.3495  -0.1847   0.5007  -0.0222   0.4879  235.760  106.877  250.930  110.095 -15.17032 153.4396 
1 1 1   -5   21   15 o  857.956   70.605   3.5428   0.5524   4.2787   0.8486   3.0016   0.7278  922.664  101.639  768.770  105.679 153.8943 146.6234 
1 1 1   -5   21   16 o  715.180  102.947   2.5941   0.6580   4.9696   1.3686   1.8801   0.7504  934.438  165.213  583.559  141.256 350.8792 217.3675 
1 1 1   -5   21   17 o  298.151  120.422   0.2947   0.5106   1.3452   1.0735  -0.0125   0.5805  481.717  180.018  271.659  119.614 210.0583 216.1347 
1 1 1   -5   21   18 f  240.852  107.371  -0.0761   0.4823   0.7971   0.8660  -0.4687   0.5807  400.531  158.471  227.655  107.234 172.8764 191.3434 
1 1 1   -5   21   19 o  510.743  118.226   1.4386   0.5446   2.1005   0.8453   0.9687   0.7122  587.037  154.409  410.301  147.733 176.7361 213.6988 
1 1 1   -5   21   20 o  540.736  109.222   1.6070   0.5247   1.5627   0.8448   1.6348   0.6696  483.823  161.614  519.984  137.746 -36.16052 212.3512 
1 1 1   -5   21   21 o  596.085  120.437   2.0736   0.6379   4.3917   0.9794   0.3660   0.8406  862.552  127.213  323.206  143.041 539.3460 191.4261 
1 1 1   -5   21   22 o  335.720  148.640   0.5517   0.9086   1.1609   1.1609  -0.4113   1.4595  390.914  170.709  317.990  154.887 72.92426 230.5026 
1 1 1   -5   23    1 o  800.257   76.116   3.1851   0.5537   2.9210   1.0218   3.2949   0.6589  677.898  165.302  801.652   90.929 -123.7542 188.6606 
1 1 1   -5   23    2 f  753.615   65.939   2.7734   0.4527   2.5298   0.6154   3.0604   0.6681  695.507   98.951  767.702   96.728 -72.19580 138.3753 
1 1 1   -5   23    3 o  342.364  105.219   0.6279   0.3636   0.2489   0.5240   0.9795   0.5048  285.887  119.398  415.969  123.167 -130.0811 171.5398 
1 1 1   -5   23    4 o  357.121  106.098   0.6879   0.3741   0.6695   0.5333   0.7056   0.5249  354.321  127.807  360.680  127.145 -6.359314 180.2791 
1 1 1   -5   23    5 o  220.716   97.504  -0.0281   0.3888  -0.1748   0.4436   0.4585   0.8078  217.497   99.368  347.053  146.778 -129.5552 177.2501 
1 1 1   -5   23    6 o  860.759   67.669   3.6155   0.5316   3.9538   0.6239   2.7184   1.0159  893.270   76.646  653.700  167.984 239.5704 184.6433 
1 1 1   -5   23    7 o  815.159   60.245   3.2041   0.4487   4.0247   0.6443   2.4313   0.6252  900.135   78.573  680.444  103.086 219.6915 129.6166 
1 1 1   -5   23    8 o  614.903   69.271   1.8555   0.3851   1.6503   0.5328   2.0800   0.5573  555.891  108.055  632.248   99.045 -76.35687 146.5802 
1 1 1   -5   23    9 o  781.901   63.907   2.9592   0.4558   3.5733   0.6514   2.3701   0.6380  844.276   85.003  670.508  106.998 173.7689 136.6528 
1 1 1   -5   23   10 o  1082.12   55.639   5.5805   0.5521   5.8634   0.7937   5.3153   0.7685  1089.84   79.703  1036.04   81.267 53.80273 113.8288 
1 1 1   -5   23   11 o  447.071   93.575   1.0301   0.3726   1.2998   0.5329   0.7723   0.5211  489.067  119.449  380.070  126.936 108.9964 174.3005 
1 1 1   -5   23   12 o  660.559   73.190   2.1284   0.4374   2.9227   0.6633   1.5174   0.5818  760.101   97.057  530.555  121.750 229.5464 155.7023 
1 1 1   -5   23   13 o  366.341  109.377   0.6979   0.3968   1.8063   0.6117  -0.1079   0.5215  584.705  117.760  248.556  111.167 336.1495 161.9425 
1 1 1   -5   23   14 o  211.453   94.521  -0.1021   0.3765  -0.8551   0.5180   0.7408   0.5481  187.286   91.454  379.188  130.153 -191.9013 159.0707 
1 1 1   -5   23   15 o  766.478   75.813   2.8655   0.5277   2.9360   0.7514   2.7969   0.7412  752.154  111.990  732.696  113.615 19.45770 159.5307 
1 1 1   -5   23   16 o  911.960   88.165   4.1459   0.7306   4.0853   1.4786   4.1655   0.8404  782.670  203.435  901.743  103.133 -119.0734 228.0843 
1 1 1   -5   23   17 o  432.876  128.721   1.0552   0.5505   1.5157   0.9510   0.8233   0.6750  489.144  171.238  389.524  143.281 99.61996 223.2755 
1 1 1   -5   23   18 o  353.879  131.577   0.6684   0.5721  -0.5509   0.8390   1.7277   0.7820  266.875  126.656  525.356  152.676 -258.4802 198.3725 
1 1 1   -5   23   19 o  402.205  146.979   1.0225   0.7087   1.5333   0.8459  -0.1797   1.2978  470.671  161.683  332.460  157.705 138.2105 225.8590 
1 1 1   -5   23   20 o  285.839  121.956   0.3025   0.5661   0.2742   0.7557   0.3388   0.8547  302.848  134.750  317.265  142.075 -14.41766 195.8135 
1 1 1   -5   25    1 o  1187.31   54.394   6.7400   0.5943   6.9688   0.8382   6.5088   0.8426  1182.69   77.452  1138.89   80.934 43.80103 112.0228 
1 1 1   -5   25    2 o  525.442   89.397   1.4294   0.4168   1.2991   0.5600   1.5913   0.6240  475.256  125.999  524.161  130.005 -48.90494 181.0441 
1 1 1   -5   25    3 o  252.687  107.669   0.1246   0.4402  -0.0785   0.4906   0.9638   0.9973  238.233  107.090  409.500  167.223 -171.2678 198.5742 
1 1 1   -5   25    4 o  478.009  112.273   1.2568   0.4854   0.8997   0.5544   2.4305   1.0052  396.538  130.851  606.158  172.153 -209.6203 216.2376 
1 1 1   -5   25    5 o  213.548   94.593  -0.0395   0.3684   0.1697   0.4950  -0.2992   0.5515  270.163  114.616  231.186  107.455 38.97786 157.1091 
1 1 1   -5   25    6 o  382.052  107.612   0.7921   0.3944   1.4769   0.5652   0.1418   0.5508  514.176  121.400  277.105  119.304 237.0707 170.2097 
1 1 1   -5   25    7 o  714.526   68.020   2.4949   0.4418   2.7354   0.5923   2.1934   0.6633  733.350   89.647  634.550  117.947 98.79926 148.1486 
1 1 1   -5   25    8 f  558.990   80.886   1.5665   0.4040   1.2428   0.5203   2.0577   0.6409  474.963  119.231  616.760  117.216 -141.7969 167.1994 
1 1 1   -5   25    9 o  278.267  103.113   0.3431   0.3507   0.2991   0.4602   0.4042   0.5419  287.097  114.893  315.623  125.204 -28.52606 169.9309 
1 1 1   -5   25   10 o  759.231   68.164   2.7912   0.4711   2.5072   0.6146   3.1960   0.7337  701.304   97.908  788.581  103.619 -87.27692 142.5579 
1 1 1   -5   25   11 o  583.284   88.699   1.7092   0.4611   2.6219   0.6790   0.9285   0.6280  712.455  106.875  412.976  139.340 299.4793 175.6070 
1 1 1   -5   25   12 o  465.387  100.922   1.1242   0.4197   0.7287   0.6033   1.4952   0.5844  377.604  135.967  525.718  122.985 -148.1138 183.3366 
1 1 1   -5   25   13 o  701.291   78.611   2.4204   0.4986   2.3169   0.7049   2.5240   0.7052  658.539  120.785  692.515  114.676 -33.97638 166.5522 
1 1 1   -5   25   14 f  411.831  117.611   0.9198   0.4678   1.3966   0.6673   0.4589   0.6560  493.891  140.264  338.245  136.537 155.6456 195.7457 
1 1 1   -5   25   15 o  833.765   97.712   3.5732   0.7354   2.4652   1.4425   3.9623   0.8549  571.773  209.587  867.196  109.578 -295.4230 236.5034 
1 1 1   -5   25   16 o  621.048  119.549   2.1383   0.6584   2.9077   1.2427   1.8380   0.7763  631.352  194.617  546.409  149.887 84.94257 245.6457 
1 1 1   -5   25   17 o  459.087  134.287   1.2833   0.6033   0.8428   0.9822   1.5500   0.7644  385.230  162.331  486.436  153.081 -101.2059 223.1256 
1 1 1   -5   25   18 o  388.743  142.913   0.9835   0.6714   0.8727   0.7630   1.3638   1.4136  371.303  148.167  413.585  184.139 -42.28107 236.3489 
1 1 1   -5   25   19 o  292.552  123.045   0.3933   0.5626  -0.1837   0.7680   1.0616   0.8266  262.983  123.707  381.974  153.586 -118.9909 197.2109 
1 1 1   -5   27    1 o  435.127  127.489   1.0902   0.5433   0.5836   0.6303   2.5559   1.0721  345.096  135.622  612.865  178.944 -267.7690 224.5309 
1 1 1   -5   27    2 o  278.101  115.619   0.2358   0.4882   0.3488   0.5640  -0.1023   0.9753  305.373  125.347  316.906  145.724 -11.53305 192.2170 
1 1 1   -5   27    3 o  626.793   85.695   1.9966   0.4813   2.1369   0.6319   1.8026   0.7428  627.724  113.576  548.324  145.006 79.39990 184.1910 
1 1 1   -5   27    4 o  295.828  112.588   0.3944   0.4243   0.1684   0.5328   0.7857   0.7013  277.605  118.375  381.342  144.843 -103.7365 187.0617 
1 1 1   -5   27    5 o  268.550  108.839   0.2412   0.4187  -0.1180   0.5311   0.8307   0.6803  245.040  110.669  389.059  143.718 -144.0190 181.3904 
1 1 1   -5   27    6 o  459.525  104.460   1.1227   0.4317   1.1672   0.5538   1.0540   0.6892  455.761  127.205  427.383  145.957 28.37845 193.6094 
1 1 1   -5   27    7 o  499.263   95.333   1.2878   0.4220   1.3408   0.5518   1.2130   0.6549  493.651  122.143  458.990  141.252 34.66119 186.7382 
1 1 1   -5   27    8 o  383.204  109.102   0.7825   0.4032   0.8753   0.5277   0.6525   0.6250  400.001  127.334  363.198  137.028 36.80322 187.0582 
1 1 1   -5   27    9 o  460.815  104.996   1.1204   0.4353   1.2578   0.5911   0.9577   0.6434  474.246  131.078  415.253  141.030 58.99274 192.5382 
1 1 1   -5   27   10 o  335.486  112.364   0.5770   0.4084   0.8023   0.5380   0.2706   0.6273  385.747  128.968  310.029  130.136 75.71802 183.2165 
1 1 1   -5   27   11 o  533.534   98.771   1.4767   0.4670   2.0228   0.6647   0.9442   0.6564  609.270  122.804  411.264  142.358 198.0059 188.0070 
1 1 1   -5   27   12 o  422.221  115.058   0.9742   0.4592   1.5196   0.6578   0.4558   0.6414  513.870  136.723  333.228  134.830 180.6419 192.0218 
1 1 1   -5   27   13 o  274.219  112.492   0.2430   0.4539   0.3811   0.6360   0.0998   0.6480  319.947  132.402  288.888  126.810 31.05838 183.3330 
1 1 1   -5   27   14 o  546.210  135.020   1.7628   0.6748   0.2508   1.2495   2.3853   0.8017  362.647  166.087  632.127  141.372 -269.4796 218.1073 
1 1 1   -5   27   15 o  582.372  150.435   2.1735   0.8118   0.0000   0.0000   2.1735   0.8118  ?   ?   582.372  150.435 0.000000 150.4350 
1 1 1   -5   27   16 o  368.323  133.570   0.8415   0.5836   0.2606   0.9057   1.2541   0.7633  317.239  143.782  424.171  152.912 -106.9323 209.8935 
1 1 1   -5   27   17 o  278.510  124.515   0.1899   0.6536   0.2451   0.7267  -0.0438   1.4953  291.268  130.678  327.467  158.877 -36.19922 205.7150 
1 1 1   -5   27   18 o  257.421  120.287  -0.0713   0.7059  -0.4253   0.7898   1.3334   1.5734  245.674  118.272  373.113  175.983 -127.4389 212.0339 
1 1 1   -5   29    1 o  356.412  131.912   0.6588   0.5737   0.7624   0.6577   0.3288   1.1733  377.271  140.919  371.714  166.460 5.557312 218.0984 
1 1 1   -5   29    2 f  698.308   90.187   2.4827   0.5660   3.1710   0.7416   1.5225   0.8759  776.278  106.633  491.336  164.559 284.9415 196.0877 
1 1 1   -5   29    3 o  195.305   92.482  -0.4140   0.4425  -0.4607   0.5443  -0.3232   0.7597  217.707  102.936  272.320  126.419 -54.61365 163.0263 
1 1 1   -5   29    4 o  977.334   66.617   4.6337   0.5955   3.8505   0.7583   5.8945   0.9621  866.320   96.773  1071.17   98.718 -204.8508 138.2398 
1 1 1   -5   29    5 o  669.053   92.533   2.2870   0.5544   2.1198   0.7137   2.5415   0.8805  615.225  130.132  657.178  149.031 -41.95319 197.8501 
1 1 1   -5   29    6 o  219.962  100.397  -0.1815   0.4515  -0.2189   0.5752  -0.1215   0.7287  245.398  112.499  283.453  128.665 -38.05460 170.9112 
1 1 1   -5   29    7 o  499.554  104.551   1.3256   0.4652   1.2053   0.5984   1.5093   0.7395  458.305  133.653  501.556  149.207 -43.25125 200.3139 
1 1 1   -5   29    8 o  804.286   75.608   3.1966   0.5530   3.3219   0.7461   3.0439   0.8238  796.463  104.306  743.532  124.831 52.93024 162.6732 
1 1 1   -5   29    9 o  257.608  109.140   0.1396   0.4479   0.0855   0.5886   0.2140   0.6902  277.297  121.310  307.406  132.950 -30.10834 179.9771 
1 1 1   -5   29   10 o  1087.81   67.443   5.7792   0.6718   6.2384   0.9192   5.2528   0.9842  1104.47   91.260  991.559  109.706 112.9079 142.7018 
1 1 1   -5   29   11 o  587.178  103.778   1.8529   0.5402   2.1977   0.7634   1.5072   0.7645  606.346  139.707  485.690  153.123 120.6563 207.2790 
1 1 1   -5   29   12 o  510.535  114.557   1.4751   0.5249   1.0004   0.6780   2.1855   0.8294  401.462  144.186  582.195  152.865 -180.7327 210.1361 
1 1 1   -5   29   13 o  166.442   83.725  -1.4797   0.5778  -2.4976   1.1915  -1.1668   0.6606  235.954  118.887  196.187   97.223 39.76793 153.5785 
1 1 1   -5   29   14 o  449.329  158.867   1.5094   0.8201   0.0000   0.0000   1.5094   0.8201  ?   ?   449.329  158.867 0.000000 158.8674 
1 1 1   -5   29   15 o  494.799  138.041   1.6695   0.6523   2.7811   1.0942   1.0566   0.8125  555.148  183.866  375.254  151.783 179.8939 238.4210 
1 1 1   -5   29   16 o  575.444  161.790   2.6306   0.8924   2.6306   0.8924   0.0000   0.0000  575.444  161.790  ?   ?  0.000000 161.7899 
1 1 1   -5   31    1 f  166.635   82.717  -1.0138   0.4860  -1.0889   0.6277  -0.9015   0.7677  196.435   96.868  233.790  113.522 -37.35570 149.2336 
1 1 1   -5   31    2 o  158.323   79.277  -1.2153   0.4896  -0.9603   0.6307  -1.6019   0.7766  203.526   99.706  205.105  102.262 -1.579437 142.8248 
1 1 1   -5   31    3 o  583.919  112.006   1.8701   0.5799   1.8618   0.7600   1.8816   0.8973  549.262  147.328  531.463  165.623 17.79834 221.6678 
1 1 1   -5   31    4 o  612.855  104.173   2.0153   0.5664   3.0893   0.7811   0.8238   0.8227  747.774  117.379  384.034  153.645 363.7395 193.3506 
1 1 1   -5   31    5 o  500.774  134.792   1.4978   0.6348   1.2402   0.6971   2.7505   1.5372  446.063  146.708  559.035  213.939 -112.9725 259.4092 
1 1 1   -5   31    6 o  497.099  130.647   1.4635   0.6054   1.5504   0.6806   1.1341   1.3250  501.955  141.352  422.739  183.514 79.21539 231.6416 
1 1 1   -5   31    7 o  550.432  113.193   1.6945   0.5542   1.5941   0.7182   1.8421   0.8711  501.306  146.494  520.022  163.383 -18.71646 219.4411 
1 1 1   -5   31    8 o  497.427  117.866   1.4262   0.5312   1.8463   0.6873   0.8029   0.8372  549.014  136.605  372.919  152.853 176.0949 205.0000 
1 1 1   -5   31    9 o  645.729   99.299   2.2623   0.5711   2.1968   0.7317   2.3645   0.9137  597.034  136.196  581.889  163.738 15.14417 212.9783 
1 1 1   -5   31   10 o  687.150  100.739   2.5984   0.6180   3.0867   0.8342   2.0042   0.9202  710.033  132.557  514.161  168.536 195.8725 214.4198 
1 1 1   -5   31   11 o  540.394  123.097   1.7890   0.5984   1.6832   0.7745   1.9458   0.9427  479.773  154.429  489.017  170.524 -9.243073 230.0581 
1 1 1   -5   31   12 f  404.239  156.081   1.3038   0.8232   0.0000   0.0000   1.3038   0.8232  ?   ?   404.239  156.081 0.000000 156.0809 
1 1 1   -5   31   13 o  260.124  124.552  -0.2336   0.8494   0.0000   0.0000  -0.2336   0.8494  ?   ?   260.124  124.552 0.000000 124.5524 
1 1 1   -5   31   14 o  252.788  117.126   0.0542   0.6475  -0.0089   0.7118   0.3567   1.5588  254.965  119.666  315.620  155.052 -60.65488 195.8594 
1 1 1   -5   33    1 o  271.362  118.610   0.1950   0.5616   1.0090   0.7709  -0.7253   0.8197  383.867  150.253  241.923  117.433 141.9447 190.7000 
1 1 1   -5   33    2 o  231.211  107.373  -0.1843   0.5488   0.1629   0.7022  -0.7290   0.8795  285.674  128.294  250.374  121.559 35.29984 176.7368 
1 1 1   -5   33    3 o  676.554  104.950   2.5729   0.6322   2.0057   0.7919   3.5693   1.0496  535.761  153.033  711.006  163.808 -175.2450 224.1698 
1 1 1   -5   33    4 o  278.028  118.007   0.2951   0.5251   0.1956   0.6478   0.4856   0.8967  281.241  124.966  328.987  146.553 -47.74655 192.5993 
1 1 1   -5   33    5 o  260.968  114.993   0.1517   0.5375   0.0415   0.7133   0.2966   0.8175  273.796  125.428  305.612  137.731 -31.81592 186.2845 
1 1 1   -5   33    6 o  443.362  129.129   1.2777   0.5589   0.9999   0.7142   1.7165   0.8976  376.804  145.413  458.418  165.734 -81.61395 220.4831 
1 1 1   -5   33    7 o  247.338  111.004   0.0758   0.5248  -0.5661   0.6429   1.3578   0.9085  217.150  105.071  404.709  161.621 -187.5595 192.7725 
1 1 1   -5   33    8 o  513.263  128.377   1.7282   0.6048   2.6718   0.8096   0.5371   0.9096  618.695  144.783  319.418  144.492 299.2777 204.5480 
1 1 1   -5   33    9 o  327.295  125.635   0.7147   0.5311   0.5860   0.6681   0.9358   0.8754  309.681  132.317  346.354  149.759 -36.67322 199.8392 
1 1 1   -5   33   10 o  261.012  121.300   0.0931   0.7024   0.4845   0.7844  -1.4919   1.5783  298.122  134.580  268.357  135.417 29.76517 190.9170 
1 1 1   -5   33   11 o  242.025  123.383  -2.6158   1.5577   0.0000   0.0000  -2.6158   1.5577  ?   ?   242.025  123.383 0.000000 123.3826 
1 1 1   -5   33   12 o  262.207  133.316  -1.6825   1.7280  -1.6825   1.7280   0.0000   0.0000  262.207  133.316  ?   ?  0.000000 133.3160 
1 1 1   -5   35    1 o  263.622  122.228   0.1770   0.7069   0.4943   1.0445  -0.0911   0.9601  300.738  142.317  266.417  128.788 34.32071 191.9392 
1 1 1   -5   35    2 o  230.278  110.530  -0.2633   0.6780  -0.1711   0.9845  -0.3464   0.9352  264.432  128.436  252.715  123.287 11.71721 178.0327 
1 1 1   -5   35    3 o  422.855  153.496   1.6302   0.7710   1.7019   1.1012   1.5613   1.0800  380.073  166.108  370.565  163.159 9.508087 232.8360 
1 1 1   -5   35    4 o  565.273  162.908   2.8156   0.8937   2.1144   1.0830   4.3128   1.5825  416.364  172.573  497.039  207.523 -80.67462 269.9026 
1 1 1   -5   35    5 o  311.456  136.318   0.7512   0.7440   0.6081   0.9997   0.9290   1.1140  301.201  141.509  320.031  150.042 -18.83020 206.2459 
1 1 1   -5   35    6 o  315.986  133.240   0.7986   0.6624   0.7778   0.8522   0.8304   1.0531  309.271  139.883  311.147  145.879 -1.875824 202.1087 
1 1 1   -5   35    7 o  241.891  114.738  -0.0019   0.6868  -0.8701   0.8653   1.4758   1.1289  218.532  108.792  343.917  157.641 -125.3854 191.5375 
1 1 1   -5   35    8 o  361.445  168.585   2.2118   1.3765   0.0000   0.0000   2.2118   1.3765  ?   ?   361.445  168.585 0.000000 168.5851 
1 1 1   -5   37    1 o  292.329  147.521   1.8208   1.8746   0.0000   0.0000   1.8208   1.8746  ?   ?   292.329  147.521 0.000000 147.5214 
1 1 1   -4    0    1 o  353.506   42.077   0.5995   0.1318   0.5995   0.1318   0.5995   0.1318  353.506   42.077  353.506   42.077 -0.000000 0.000000 
1 1 1   -4    0    2 o  757.449   38.102   2.6616   0.2640   2.6616   0.2640   2.6616   0.2640  757.449   38.102  757.449   38.102 0.000000 0.000000 
1 1 1   -4    0    3 o  303.268   65.375   0.4783   0.1601   0.4783   0.1601   0.4783   0.1601  303.268   65.375  303.268   65.375 0.000000 0.000000 
1 1 1   -4    0    4 o  1588.93   28.524   11.632   0.4167   11.632   0.4167   11.632   0.4167  1588.93   28.524  1588.93   28.524 -0.000000 0.000000 
1 1 1   -4    0    5 o  1016.53   31.835   4.7714   0.2971   4.7714   0.2971   4.7714   0.2971  1016.53   31.835  1016.53   31.835 -0.000000 0.000000 
1 1 1   -4    0    6 o   91.009   60.248  -0.0334   0.1321  -0.0334   0.1321  -0.0334   0.1321   91.009   60.248   91.009   60.248 0.000000 0.000000 
1 1 1   -4    0    7 o   95.328   62.236  -0.0158   0.1337  -0.0158   0.1337  -0.0158   0.1337   95.328   62.236   95.328   62.236 0.000000 0.000000 
1 1 1   -4    0    8 o  1840.61   34.828   15.617   0.5894   15.617   0.5894   15.617   0.5894  1840.61   34.828  1840.61   34.828 0.000000 0.000000 
1 1 1   -4    0    9 o  1579.67   37.147   11.509   0.5393   11.509   0.5393   11.509   0.5393  1579.67   37.147  1579.67   37.147 -0.000000 0.000000 
1 1 1   -4    0   10 o  205.019  111.862   0.2735   0.2998   0.2735   0.2998   0.2735   0.2998  205.019  111.862  205.019  111.862 0.000000 0.000000 
1 1 1   -4    0   11 o  1499.95   41.057   10.391   0.5657   10.391   0.5657   10.391   0.5657  1499.95   41.057  1499.95   41.057 0.000000 0.000000 
1 1 1   -4    0   12 o  104.765   74.697  -0.4609   0.3190  -0.4609   0.3190  -0.4609   0.3190  104.765   74.697  104.765   74.697 -0.000000 0.000000 
1 1 1   -4    0   13 o  581.224   62.429   1.6206   0.3241   1.6206   0.3241   1.6206   0.3241  581.224   62.429  581.224   62.429 -0.000000 0.000000 
1 1 1   -4    0   14 o  683.308   61.310   2.2238   0.3784   2.2238   0.3784   2.2238   0.3784  683.308   61.310  683.308   61.310 -0.000000 0.000000 
1 1 1   -4    0   15 o  596.331   72.117   1.7375   0.3803   1.7375   0.3803   1.7375   0.3803  596.331   72.117  596.331   72.117 -0.000000 0.000000 
1 1 1   -4    0   16 f  693.974   68.089   2.3238   0.4252   2.3238   0.4252   2.3238   0.4252  693.974   68.089  693.974   68.089 -0.000000 0.000000 
1 1 1   -4    0   17 o  459.098  103.433   1.1425   0.3813   1.1425   0.3813   1.1425   0.3813  459.098  103.433  459.098  103.433 -0.000000 0.000000 
1 1 1   -4    0   18 o  895.616   64.211   3.8168   0.5229   3.8168   0.5229   3.8168   0.5229  895.616   64.211  895.616   64.211 -0.000000 0.000000 
1 1 1   -4    0   19 o  1032.67   65.862   5.0599   0.6200   5.0599   0.6200   5.0599   0.6200  1032.67   65.862  1032.67   65.862 0.000000 0.000000 
1 1 1   -4    0   20 o  354.958  136.463   0.8282   0.4219   0.8282   0.4219   0.8282   0.4219  354.958  136.463  354.958  136.463 -0.000000 0.000000 
1 1 1   -4    0   21 o  195.181  129.092  -0.0785   0.6045  -0.0785   0.6045  -0.0785   0.6045  195.181  129.092  195.181  129.092 -0.000000 0.000000 
1 1 1   -4    0   22 o  292.572  142.861   0.6215   0.4541   0.6215   0.4541   0.6215   0.4541  292.572  142.861  292.572  142.861 -0.000000 0.000000 
1 1 1   -4    0   23 o  1005.23  110.898   5.0502   0.9939   5.0502   0.9939   5.0502   0.9939  1005.23  110.898  1005.23  110.898 0.000000 0.000000 
1 1 1   -4    0   24 o  205.952  129.469   0.1685   0.5141   0.1685   0.5141   0.1685   0.5141  205.952  129.469  205.952  129.469 0.000000 0.000000 
1 1 1   -4    0   25 o  310.810  159.379   0.7773   0.5789   0.7773   0.5789   0.7773   0.5789  310.810  159.379  310.810  159.379 0.000000 0.000000 
1 1 1   -4    0   26 o  259.525  150.587   0.5404   0.5885   0.5404   0.5885   0.5404   0.5885  259.525  150.587  259.525  150.587 -0.000000 0.000000 
1 1 1   -4    2    1 o  847.831   37.446   3.3120   0.2921   3.4125   0.4157   3.2139   0.4107  858.366   52.883  832.808   53.876 25.55804 75.49364 
1 1 1   -4    2    2 o  1701.55   20.230   13.326   0.3167   13.230   0.4469   13.424   0.4490  1695.01   28.656  1707.38   28.576 -12.37573 40.46945 
1 1 1   -4    2    3 o  1907.69   21.620   16.752   0.3795   16.549   0.5331   16.961   0.5404  1895.59   30.562  1919.06   30.603 -23.47290 43.25023 
1 1 1   -4    2    4 o  509.645   28.142   1.1998   0.1315   1.1510   0.1845   1.2501   0.1874  498.041   40.613  519.276   39.509 -21.23541 56.65978 
1 1 1   -4    2    5 o  923.467   26.318   3.9273   0.2236   3.9622   0.3167   3.8925   0.3158  927.130   37.126  918.929   37.350 8.201050 52.66257 
1 1 1   -4    2    6 o  1380.34   24.888   8.7746   0.3161   8.8052   0.4188   8.7339   0.4820  1382.26   32.924  1376.26   38.061 5.994263 50.32515 
1 1 1   -4    2    7 o  3200.74   22.906   47.172   0.6746   47.195   0.9575   47.150   0.9507  3200.21   32.515  3198.72   32.300 1.492920 45.83134 
1 1 1   -4    2    8 o  286.488   51.233   0.3903   0.1301   0.1728   0.1766   0.6485   0.1924  207.809   73.693  370.192   58.427 -162.3827 94.04454 
1 1 1   -4    2    9 o  1603.19   26.182   11.834   0.3862   11.934   0.5497   11.737   0.5428  1609.29   37.118  1595.98   36.963 13.30469 52.38380 
1 1 1   -4    2   10 o  784.780   46.770   2.8513   0.3362   3.3464   0.4814   2.3799   0.4697  848.585   62.085  713.273   72.581 135.3115 95.51187 
1 1 1   -4    2   11 o  1880.00   27.972   16.284   0.4839   15.820   0.6747   16.776   0.6944  1851.69   39.600  1906.82   39.574 -55.12805 55.98425 
1 1 1   -4    2   12 o  959.391   45.851   4.2609   0.4048   4.5310   0.5805   4.0053   0.5647  984.363   64.444  924.682   66.819 59.68066 92.83212 
1 1 1   -4    2   13 o  1020.81   34.984   4.8194   0.3286   4.4842   0.4574   5.1768   0.4724  980.550   50.875  1055.41   48.640 -74.86304 70.38481 
1 1 1   -4    2   14 o  274.314   79.898   0.3665   0.2140   1.0203   0.3118  -0.2155   0.2942  457.751   76.735  172.163   79.478 285.5883 110.4766 
1 1 1   -4    2   15 o  673.767   45.399   2.1279   0.2798   2.3627   0.3941   1.8894   0.3974  704.897   61.375  626.621   70.115 78.27594 93.18288 
1 1 1   -4    2   16 o  810.483   42.474   3.0738   0.3157   2.6938   0.4262   3.5355   0.4698  751.318   62.208  862.585   59.555 -111.2672 86.11985 
1 1 1   -4    2   17 o  508.667   64.108   1.2478   0.2934   1.2811   0.4077   1.2120   0.4226  504.411   91.190  487.402   97.626 17.00873 133.5904 
1 1 1   -4    2   18 o  1058.43   42.234   5.2280   0.4113   5.0254   0.5651   5.4563   0.5998  1028.77   59.960  1071.47   61.092 -42.70227 85.60028 
1 1 1   -4    2   19 o  677.833   53.839   2.1730   0.3330   2.4269   0.4751   1.9277   0.4670  708.360   73.981  626.532   83.046 81.82770 111.2201 
1 1 1   -4    2   20 o  589.607   63.933   1.6608   0.3413   1.7753   0.4924   1.5550   0.4735  598.484   92.382  557.978   95.671 40.50610 132.9939 
1 1 1   -4    2   21 o  547.096  104.265   1.5073   0.5057   2.0980   0.7274   0.9546   0.7036  635.224  128.850  433.169  147.480 202.0551 195.8386 
1 1 1   -4    2   22 f  431.030   86.920   0.9234   0.3328   1.5051   0.4927   0.4350   0.4514  547.294  101.573  318.449  117.167 228.8445 155.0651 
1 1 1   -4    2   23 o  444.775  121.523   1.0406   0.5115   0.6779   0.6749   1.5299   0.7839  382.301  142.764  525.060  152.935 -142.7596 209.2144 
1 1 1   -4    2   24 o  395.253  103.348   0.8144   0.3801   0.8617   0.5460   0.7699   0.5295  401.726  129.702  383.420  127.950 18.30649 182.1918 
1 1 1   -4    2   25 o  230.744   99.258   0.0511   0.3806   0.3332   0.5408  -0.2257   0.5357  302.953  123.357  235.918  108.305 67.03461 164.1554 
1 1 1   -4    2   26 o  230.421  101.201   0.0153   0.4132  -0.2237   0.5558   0.3108   0.6179  236.518  109.208  303.809  128.425 -67.29152 168.5801 
1 1 1   -4    4    1 o  1366.82   29.203   8.6034   0.3673   8.3728   0.4291   9.2351   0.7102  1348.11   34.593  1414.43   54.567 -66.31482 64.60875 
1 1 1   -4    4    2 o  977.009   21.062   4.3939   0.1893   4.3125   0.2666   4.4768   0.2689  967.661   29.946  985.931   29.644 -18.27081 42.13695 
1 1 1   -4    4    3 o  1104.86   22.579   5.6197   0.2295   5.5735   0.3236   5.6665   0.3257  1099.97   31.972  1109.11   31.909 -9.141602 45.17112 
1 1 1   -4    4    4 o  1587.69   25.458   11.608   0.3719   11.874   0.4886   11.240   0.5735  1605.35   33.078  1561.35   39.918 44.00146 51.84152 
1 1 1   -4    4    5 o  890.932   27.052   3.6560   0.2218   3.6340   0.3138   3.6780   0.3135  887.746   38.413  893.118   38.147 -5.372620 54.13607 
1 1 1   -4    4    6 o  1283.15   26.919   7.5838   0.3178   8.0562   0.4609   7.1555   0.4389  1321.76   37.894  1245.66   38.292 76.10547 53.87255 
1 1 1   -4    4    7 o  1926.96   27.389   17.102   0.4856   16.141   0.6721   18.153   0.7025  1870.94   39.043  1984.21   38.474 -113.2744 54.81419 
1 1 1   -4    4    8 o  872.930   30.613   3.5098   0.2459   3.6228   0.3354   3.3786   0.3615  886.468   41.122  854.609   46.145 31.85858 61.80903 
1 1 1   -4    4    9 o  1434.13   28.760   9.4716   0.3795   10.251   0.5242   8.6134   0.5502  1491.41   38.197  1366.77   43.750 124.6392 58.07820 
1 1 1   -4    4   10 o  398.188   81.790   0.7626   0.2897   0.9539   0.3559   0.3870   0.4986  445.107   89.979  328.349  122.688 116.7586 152.1461 
1 1 1   -4    4   11 o  1142.79   30.418   6.0202   0.3199   6.1436   0.4524   5.8968   0.4523  1153.37   42.626  1129.88   43.508 23.49060 60.90872 
1 1 1   -4    4   12 o  1047.85   46.377   5.0876   0.4472   5.6046   0.6484   4.6188   0.6175  1094.32   64.683  992.154   68.045 102.1702 93.88326 
1 1 1   -4    4   13 o  941.170   35.263   4.0989   0.3054   4.0051   0.4277   4.1964   0.4362  926.272   50.372  948.247   50.167 -21.97485 71.09219 
1 1 1   -4    4   14 o  840.567   38.831   3.2802   0.3003   3.1134   0.4247   3.4471   0.4248  812.795   57.145  856.439   54.186 -43.64417 78.75043 
1 1 1   -4    4   15 o  226.266   80.813   0.2173   0.2127   0.1987   0.3239   0.2314   0.2820  247.143   97.196  244.854   92.120 2.288300 133.9145 
1 1 1   -4    4   16 o  596.961   51.828   1.6872   0.2819   1.6263   0.4025   1.7459   0.3948  575.984   77.955  599.224   73.120 -23.24078 106.8807 
1 1 1   -4    4   17 o  268.644   88.515   0.3448   0.2537   0.2119   0.3636   0.4710   0.3541  257.364  102.418  311.068  104.634 -53.70416 146.4162 
1 1 1   -4    4   18 o  524.217   61.949   1.3196   0.2930   1.5113   0.4327   1.1571   0.3983  550.480   88.413  477.920   93.922 72.55954 128.9889 
1 1 1   -4    4   19 o  392.522   84.519   0.7724   0.2962   0.6779   0.4120   0.8735   0.4262  364.096  112.035  409.899  110.495 -45.80228 157.3562 
1 1 1   -4    4   20 o  263.039   95.692   0.2900   0.2999   0.3994   0.4312   0.1874   0.4174  307.971  114.283  267.183  108.539 40.78781 157.6111 
1 1 1   -4    4   21 o  989.449   57.286   4.6085   0.5193   4.5513   0.7319   4.6664   0.7370  971.561   82.655  984.118   82.138 -12.55670 116.5271 
1 1 1   -4    4   22 o  256.476   97.326   0.2457   0.3165   0.5030   0.4539   0.0025   0.4414  331.741  118.102  245.639  106.276 86.10202 158.8793 
1 1 1   -4    4   23 o  230.074  103.245  -0.1384   0.4538  -0.2423   0.6369  -0.0312   0.6469  263.694  119.924  286.249  126.144 -22.55432 174.0518 
1 1 1   -4    4   24 o  523.976   88.552   1.3826   0.4117   1.2262   0.5719   1.5509   0.5933  473.053  128.186  536.114  122.889 -63.06091 177.5765 
1 1 1   -4    4   25 o  186.221   87.814  -0.3487   0.3914  -0.5402   0.5386  -0.1343   0.5697  210.049  100.191  251.354  113.968 -41.30487 151.7466 
1 1 1   -4    4   26 o  195.590   92.560  -0.3777   0.4419  -1.0637   0.5805   0.5669   0.6812  186.453   92.171  341.420  138.673 -154.9674 166.5107 
1 1 1   -4    6    1 o  1325.60   25.702   8.0918   0.3135   8.1257   0.4440   8.0581   0.4428  1327.79   36.339  1322.25   36.390 5.539673 51.42679 
1 1 1   -4    6    2 o  444.049   32.282   0.9133   0.1310   1.1771   0.1949   0.6959   0.1769  503.412   42.476  384.881   51.225 118.5305 66.54510 
1 1 1   -4    6    3 o  1532.15   28.023   10.813   0.3951   10.714   0.5573   10.912   0.5601  1524.26   39.737  1538.30   39.569 -14.03259 56.07812 
1 1 1   -4    6    4 o  733.993   31.598   2.4826   0.2134   2.5155   0.3179   2.4556   0.2879  736.637   47.153  728.235   43.157 8.401550 63.92112 
1 1 1   -4    6    5 o  1089.57   28.010   5.4688   0.2808   5.1111   0.4125   5.7778   0.3834  1052.46   42.593  1119.38   37.221 -66.92065 56.56490 
1 1 1   -4    6    6 o  342.290   49.492   0.5521   0.1514   0.8461   0.2412   0.3613   0.1944  422.849   63.993  274.646   74.866 148.2033 98.48858 
1 1 1   -4    6    7 o  1208.97   29.000   6.7318   0.3226   6.8836   0.4597   6.5846   0.4529  1221.87   40.885  1195.02   41.186 26.85120 58.03304 
1 1 1   -4    6    8 o  1067.49   31.447   5.2488   0.3089   5.1868   0.4396   5.3093   0.4341  1060.53   45.051  1073.05   43.965 -12.51892 62.94854 
1 1 1   -4    6    9 o  518.321   61.369   1.2589   0.2870   1.0275   0.5059   1.3688   0.3485  460.008  118.717  539.026   72.075 -79.01840 138.8828 
1 1 1   -4    6   10 o  2152.42   28.917   21.345   0.5727   21.003   0.7530   21.816   0.8821  2133.91   38.350  2173.97   44.096 -40.06714 58.43952 
1 1 1   -4    6   11 o  1447.83   31.716   9.6701   0.4225   9.5072   0.5595   9.8864   0.6446  1434.08   42.399  1461.43   47.936 -27.35071 63.99629 
1 1 1   -4    6   12 o  368.088   94.629   0.6694   0.3223   0.6872   0.3990   0.6360   0.5467  373.557  109.192  373.622  129.886 -0.6457520E-01 169.6855 
1 1 1   -4    6   13 o  194.283   74.453   0.1251   0.1863  -0.1520   0.2533   0.4519   0.2751  164.988   75.264  304.486   91.094 -139.4983 118.1642 
1 1 1   -4    6   14 o  341.449   72.674   0.5746   0.2213   0.5367   0.3253   0.6073   0.3020  328.362   99.254  347.386   92.739 -19.02454 135.8373 
1 1 1   -4    6   15 o  186.829   76.632   0.0688   0.2106   0.0773   0.2965   0.0602   0.2992  215.942   89.964  213.625   89.785 2.317123 127.1018 
1 1 1   -4    6   16 o  297.475   85.490   0.4437   0.2464   0.4655   0.3315   0.4168   0.3684  307.735  101.174  299.892  106.433 7.842651 146.8477 
1 1 1   -4    6   17 o  179.328   78.676  -0.0385   0.2492  -0.3338   0.3435   0.2893   0.3619  174.898   82.412  271.963  103.874 -97.06465 132.5953 
1 1 1   -4    6   18 o  733.591   50.415   2.5378   0.3382   2.7416   0.5004   2.3663   0.4590  752.796   73.160  699.294   72.380 53.50153 102.9139 
1 1 1   -4    6   19 o  433.017   80.447   0.9290   0.3087   0.9070   0.4397   0.9504   0.4337  417.448  112.092  427.899  109.642 -10.45108 156.7990 
1 1 1   -4    6   20 o  1282.63   50.089   7.6919   0.5912   7.0910   0.8514   8.2511   0.8214  1216.55   76.449  1318.03   67.962 -101.4806 102.2906 
1 1 1   -4    6   21 o  803.428   62.303   3.0577   0.4570   2.7468   0.6268   3.4105   0.6677  748.156   93.062  837.290   87.979 -89.13391 128.0654 
1 1 1   -4    6   22 o  717.464   62.216   2.4460   0.4067   2.7769   0.5957   2.1571   0.5565  753.659   87.529  660.031   94.319 93.62708 128.6751 
1 1 1   -4    6   23 o  349.394  124.451   0.5858   0.5041   0.5663   0.7433   0.6025   0.6860  370.647  146.768  369.627  142.548 1.020233 204.5991 
1 1 1   -4    6   24 o  517.023   88.573   1.3524   0.4062   1.1767   0.5624   1.5441   0.5874  461.521  127.963  533.206  122.329 -71.68484 177.0283 
1 1 1   -4    6   25 o  221.549   97.889  -0.0260   0.3921   0.7927   0.5869  -0.6858   0.5269  377.349  134.296  196.435   95.066 180.9147 164.5386 
1 1 1   -4    8    1 o  1461.35   27.659   9.8378   0.3719   10.186   0.5288   9.4966   0.5232  1486.11   38.668  1434.83   39.632 51.27747 55.37000 
1 1 1   -4    8    2 o  360.328   40.277   0.6064   0.1313   0.4781   0.1816   0.7468   0.1900  315.584   64.695  398.496   53.135 -82.91135 83.71831 
1 1 1   -4    8    3 o  1206.06   29.778   6.7022   0.3305   6.4123   0.4637   7.0013   0.4711  1178.76   42.755  1231.82   41.559 -53.05481 59.62487 
1 1 1   -4    8    4 o  1280.27   31.151   7.5530   0.3670   7.3837   0.5174   7.7244   0.5206  1264.81   44.457  1293.73   43.729 -28.92114 62.35873 
1 1 1   -4    8    5 o  930.890   34.365   3.9939   0.2944   3.9189   0.4157   4.0693   0.4168  919.953   49.292  937.579   48.482 -17.62604 69.13902 
1 1 1   -4    8    6 o  835.921   37.592   3.2207   0.2892   3.5865   0.4306   2.9204   0.3902  879.697   53.450  793.436   53.765 86.26044 75.81299 
1 1 1   -4    8    7 o  2243.55   30.849   23.184   0.6369   23.887   1.0268   22.745   0.8119  2275.33   49.042  2221.37   39.720 53.95361 63.10907 
1 1 1   -4    8    8 o  2495.70   31.713   28.692   0.7283   30.190   1.2032   27.826   0.9149  2557.48   51.129  2456.78   40.470 100.6958 65.20789 
1 1 1   -4    8    9 o  2229.92   44.402   22.949   0.9111   23.004   1.7095   22.927   1.0768  2223.86   83.541  2227.49   52.534 -3.630371 98.68597 
1 1 1   -4    8   10 o  2866.78   31.195   37.898   0.8229   39.503   1.2087   36.511   1.1235  2923.30   44.934  2810.83   43.437 112.4707 62.49636 
1 1 1   -4    8   11 o  1107.54   45.656   5.6856   0.4653   5.7610   0.6508   5.6067   0.6655  1109.15   64.040  1093.41   66.456 15.73340 92.29092 
1 1 1   -4    8   12 o  954.367   43.374   4.2282   0.3809   4.3361   0.5036   4.0840   0.5823  961.699   57.168  929.410   68.567 32.28876 89.27267 
1 1 1   -4    8   13 o  188.048   76.901   0.0690   0.2113   0.3337   0.2923  -0.2208   0.3058  273.132   94.971  175.521   81.032 97.61044 124.8425 
1 1 1   -4    8   14 o  239.495   83.486   0.2544   0.2259   0.1385   0.3041   0.3971   0.3375  230.138   92.942  293.172  102.052 -63.03380 138.0316 
1 1 1   -4    8   15 o  378.912   77.081   0.7153   0.2596   0.7620   0.3556   0.6620   0.3799  384.247   99.703  358.328  107.027 25.91968 146.2719 
1 1 1   -4    8   16 o  599.687   52.135   1.7050   0.2848   1.9013   0.4086   1.5195   0.3972  625.341   72.348  554.853   80.124 70.48712 107.9542 
1 1 1   -4    8   17 f  284.267   86.485   0.4005   0.2464   0.2242   0.3470   0.5798   0.3500  255.973  100.621  337.358  103.158 -81.38457 144.1046 
1 1 1   -4    8   18 o  292.084   89.054   0.4229   0.2611   0.6758   0.3762   0.1880   0.3626  362.315  106.063  253.049  101.730 109.2663 146.9645 
1 1 1   -4    8   19 o  561.828   64.723   1.5140   0.3285   2.2671   0.4884   0.8919   0.4439  682.696   79.217  414.225  113.223 268.4714 138.1843 
1 1 1   -4    8   20 o  745.727   63.938   2.6429   0.4345   2.0465   0.6286   3.1884   0.6012  634.873  111.686  811.848   81.584 -176.9745 138.3104 
1 1 1   -4    8   21 o  1178.25   52.505   6.4995   0.5692   6.3012   0.7767   6.7296   0.8367  1148.33   73.901  1184.90   77.160 -36.57007 106.8409 
1 1 1   -4    8   22 o  272.085  106.883   0.2509   0.3913   0.3511   0.5474   0.1463   0.5595  316.772  125.787  290.087  122.393 26.68542 175.5065 
1 1 1   -4    8   23 o  474.587  102.518   1.1638   0.4346   1.4259   0.6382   0.9372   0.5935  509.565  134.236  417.519  135.269 92.04581 190.5701 
1 1 1   -4    8   24 o  218.732   95.356  -0.0005   0.3609  -0.6211   0.4916   0.7246   0.5314  193.454   93.177  369.284  128.074 -175.8300 158.3823 
1 1 1   -4    8   25 o  280.990  110.174   0.3347   0.4151  -0.5689   0.5579   1.4543   0.6211  210.556  100.851  496.088  133.236 -285.5325 167.1014 
1 1 1   -4   10    1 o  2601.82   28.944   31.187   0.6929   31.739   0.9913   30.660   0.9690  2622.96   41.073  2578.02   40.848 44.93896 57.92713 
1 1 1   -4   10    2 o  381.974   43.731   0.6820   0.1509   0.7972   0.2144   0.5689   0.2125  411.146   58.317  344.292   69.465 66.85358 90.69891 
1 1 1   -4   10    3 o  186.228   63.002   0.1489   0.1284   0.0190   0.1829   0.2749   0.1803  167.664   70.320  243.036   73.980 -75.37260 102.0684 
1 1 1   -4   10    4 f  257.133   61.095   0.3180   0.1424   0.2937   0.2044   0.3408   0.1985  252.827   79.094  267.988   76.650 -15.16055 110.1412 
1 1 1   -4   10    5 o  1384.92   33.297   8.8365   0.4243   8.2614   0.5888   9.4578   0.6120  1338.11   47.821  1431.85   46.450 -93.73853 66.66702 
1 1 1   -4   10    6 o  2353.43   33.403   25.517   0.7233   25.898   1.0416   25.163   1.0053  2369.22   47.780  2335.49   46.777 33.73340 66.86604 
1 1 1   -4   10    7 o  846.127   41.538   3.3015   0.3234   3.2969   0.4660   3.3057   0.4492  842.313   60.527  843.759   58.211 -1.445618 83.97691 
1 1 1   -4   10    8 o  1888.73   52.262   16.488   0.9083   0.0000   0.0000   16.488   0.9083  ?   ?   1888.73   52.262 0.000000 52.26154 
1 1 1   -4   10    9 o  830.524   44.787   3.1980   0.3410   3.0839   0.5138   3.2878   0.4559  811.133   69.508  839.742   59.385 -28.60870 91.42163 
1 1 1   -4   10   10 o  294.785   81.518   0.4217   0.2285   0.5352   0.3488   0.3363   0.3025  334.282  103.114  278.565   96.634 55.71689 141.3174 
1 1 1   -4   10   11 o  1488.32   49.958   10.310   0.6842   11.686   0.8827   8.2402   1.0828  1580.17   60.708  1310.73   90.329 269.4406 108.8342 
1 1 1   -4   10   12 o  723.909   51.418   2.4604   0.3403   2.7246   0.5445   2.2911   0.4359  751.731   79.951  692.761   69.303 58.97034 105.8072 
1 1 1   -4   10   13 o  686.118   54.797   2.2260   0.3431   2.9427   0.5718   1.8228   0.4288  777.883   81.074  611.897   77.933 165.9860 112.4564 
1 1 1   -4   10   14 o  246.608   86.915   0.2704   0.2453   0.7318   0.3462  -0.1945   0.3475  376.972   98.662  191.404   87.634 185.5674 131.9617 
1 1 1   -4   10   15 o  565.197   60.154   1.5319   0.3080   1.8102   0.4322   1.2444   0.4392  606.381   79.356  491.424  100.515 114.9568 128.0644 
1 1 1   -4   10   16 o  485.536   72.202   1.1550   0.3128   1.3533   0.4376   0.9479   0.4472  515.484   95.772  423.187  112.799 92.29721 147.9726 
1 1 1   -4   10   17 o  497.679   66.482   1.2003   0.2968   0.9231   0.3787   1.6420   0.4780  423.176   99.013  570.441   94.370 -147.2645 136.7820 
1 1 1   -4   10   18 o  331.763   93.472   0.5576   0.2976   0.6897   0.4071   0.4059   0.4360  366.108  111.109  307.457  114.762 58.65112 159.7356 
1 1 1   -4   10   19 o  777.625   57.432   2.8601   0.4080   3.0019   0.5581   2.6972   0.5980  787.951   78.006  740.901   89.538 47.05011 118.7518 
1 1 1   -4   10   20 o  557.871   79.336   1.5155   0.3958   1.6270   0.5720   1.4131   0.5482  563.178  114.277  522.857  116.888 40.32104 163.4691 
1 1 1   -4   10   21 o  679.677   70.747   2.2185   0.4360   1.9357   0.5973   2.5409   0.6379  617.078  109.185  713.989   99.816 -96.91180 147.9347 
1 1 1   -4   10   22 o  384.465  111.886   0.7665   0.4197   0.8871   0.5916   0.6443   0.5956  410.863  135.151  367.920  134.705 42.94370 190.8175 
1 1 1   -4   10   23 o  502.657  104.257   1.3181   0.4664   1.3108   0.6687   1.3251   0.6508  480.963  141.587  484.939  138.804 -3.975983 198.2761 
1 1 1   -4   10   24 o  264.094  105.075   0.2565   0.3827   0.2976   0.5155   0.2060   0.5712  292.495  119.920  288.788  122.838 3.707458 171.6682 
1 1 1   -4   10   25 o  321.720  113.768   0.5538   0.4206  -0.1445   0.5953   1.2498   0.5943  250.180  114.600  454.466  133.382 -204.2856 175.8519 
1 1 1   -4   12    1 o  1017.70   34.056   4.7724   0.3189   4.4077   0.4417   5.1695   0.4610  975.997   49.343  1058.46   47.328 -82.46198 68.37193 
1 1 1   -4   12    2 o  1444.75   32.515   9.6164   0.4323   9.0403   0.5944   10.263   0.6298  1399.84   46.143  1491.53   45.887 -91.69421 65.07504 
1 1 1   -4   12    3 o  2681.16   31.017   33.114   0.7652   33.022   1.0762   33.208   1.0883  2675.81   43.710  2683.27   44.076 -7.463623 62.07441 
1 1 1   -4   12    4 o  2089.92   32.362   20.123   0.6223   19.795   0.8731   20.461   0.8873  2071.43   45.807  2105.96   45.788 -34.52905 64.76762 
1 1 1   -4   12    5 o  1311.67   35.146   7.9291   0.4242   8.1205   0.6042   7.7431   0.5957  1326.28   49.510  1295.05   49.988 31.23157 70.35651 
1 1 1   -4   12    6 o  1781.72   39.644   14.642   0.6500   15.903   1.1340   14.026   0.7932  1852.61   66.522  1742.57   49.466 110.0393 82.89807 
1 1 1   -4   12    7 o  721.266   51.145   2.4184   0.3372   2.0582   0.5557   2.6284   0.4243  656.367   94.759  750.328   62.010 -93.96106 113.2447 
1 1 1   -4   12    8 o  743.550   78.545   2.6157   0.5293   2.3865   0.7554   2.8367   0.7417  696.448  122.344  765.677  108.299 -69.22925 163.3916 
1 1 1   -4   12    9 o  940.300   45.412   4.1006   0.3929   3.4615   0.5444   4.7954   0.5677  856.663   69.665  1011.79   61.263 -155.1256 92.77026 
1 1 1   -4   12   10 o  1236.89   54.100   7.1408   0.6157   8.2472   0.7651   5.1068   1.0374  1326.01   62.704  1016.98  112.752 309.0229 129.0145 
1 1 1   -4   12   11 o  330.140   96.046   0.5423   0.3093   0.7637   0.4140   0.2625   0.4655  387.501  110.636  290.467  115.784 97.03369 160.1441 
1 1 1   -4   12   12 o  476.890   70.964   1.1059   0.3019   1.2533   0.4709   1.0030   0.3934  493.566  106.783  443.505   98.922 50.06119 145.5612 
1 1 1   -4   12   13 o  174.156   78.219  -0.0981   0.2611  -0.3749   0.3793   0.1510   0.3599  182.572   86.203  245.308  100.344 -62.73557 132.2873 
1 1 1   -4   12   14 o  1170.14   47.455   6.4281   0.5110   6.7881   0.8272   6.2060   0.6497  1181.67   76.485  1140.10   62.168 41.56360 98.56403 
1 1 1   -4   12   15 o  348.027   90.972   0.6206   0.2946   0.7459   0.4159   0.4945   0.4173  376.647  111.864  320.542  113.332 56.10489 159.2405 
1 1 1   -4   12   16 o  264.155   92.126   0.3207   0.2751   0.3546   0.3854   0.2854   0.3930  288.284  107.832  276.065  107.490 12.21899 152.2559 
1 1 1   -4   12   17 o  164.398   75.932  -0.1901   0.2690   0.0927   0.3769  -0.4836   0.3840  239.715  100.762  174.509   83.607 65.20589 130.9317 
1 1 1   -4   12   18 o  542.980   75.140   1.4373   0.3654   1.5347   0.5203   1.3426   0.5132  546.714  107.253  507.958  112.738 38.75565 155.6060 
1 1 1   -4   12   19 o  306.968  114.234   0.3953   0.4314   1.1189   0.7112  -0.0260   0.5426  458.027  148.036  265.976  116.414 192.0508 188.3267 
1 1 1   -4   12   20 o  473.314   91.575   1.1202   0.3844   0.6462   0.5894   1.4711   0.5071  370.890  134.272  537.645  106.270 -166.7547 171.2370 
1 1 1   -4   12   21 o  315.072  108.095   0.4725   0.3780   0.2748   0.5367   0.6673   0.5326  302.707  123.031  368.020  128.190 -65.31366 177.6776 
1 1 1   -4   12   22 o  560.258   99.613   1.6045   0.4947   1.3779   0.6199   2.0022   0.8211  500.686  132.485  592.923  150.299 -92.23648 200.3547 
1 1 1   -4   12   23 o  426.528  126.560   1.0157   0.5326   1.9322   0.7882   0.2458   0.7224  572.297  148.420  318.754  136.925 253.5438 201.9330 
1 1 1   -4   12   24 o  567.708   86.930   1.6621   0.4397   1.7000   0.6374   1.6277   0.6072  539.940  129.876  531.307  126.098 8.633423 181.0207 
1 1 1   -4   12   25 o  336.220  147.921   0.4347   0.8862   0.9691   1.4401   0.1090   1.1242  399.655  181.206  331.444  153.839 68.21127 237.7012 
1 1 1   -4   14    1 o  1424.50   34.826   9.3541   0.4565   8.9679   0.6329   9.7729   0.6590  1393.41   49.364  1454.63   49.236 -61.21594 69.72088 
1 1 1   -4   14    2 o  913.879   37.930   3.8516   0.3190   3.5858   0.4403   4.1452   0.4628  878.993   54.703  945.492   53.408 -66.49915 76.45168 
1 1 1   -4   14    3 o  1454.69   34.842   9.7568   0.4664   9.8591   0.6572   9.6530   0.6619  1460.78   48.897  1445.32   49.769 15.45813 69.77013 
1 1 1   -4   14    4 o  1400.81   39.082   9.0558   0.5038   8.8576   0.8059   9.1830   0.6454  1381.95   63.374  1409.28   49.770 -27.32446 80.58141 
1 1 1   -4   14    5 o  1189.65   42.238   6.5393   0.4624   5.6894   0.7241   7.1242   0.6008  1102.98   71.739  1240.26   52.642 -137.2761 88.98133 
1 1 1   -4   14    6 o  1438.42   42.366   9.5704   0.5608   10.135   0.9590   9.2771   0.6913  1473.22   70.740  1414.06   53.126 59.16174 88.46803 
1 1 1   -4   14    7 o  354.387   87.820   0.6174   0.2849   0.4603   0.5820   0.6669   0.3268  348.310  132.031  367.683   95.665 -19.37250 163.0457 
1 1 1   -4   14    8 o  1116.25   42.774   5.7817   0.4394   5.8958   0.6479   5.6845   0.5978  1119.96   63.130  1101.05   59.218 18.90723 86.55729 
1 1 1   -4   14    9 f  863.288   47.981   3.4832   0.3796   3.2511   0.5374   3.7143   0.5364  826.141   71.397  885.407   66.318 -59.26630 97.44556 
1 1 1   -4   14   10 o  509.518  101.177   1.3132   0.4576   1.3132   0.4576   0.0000   0.0000  509.518  101.177  ?   ?  0.000000 101.1773 
1 1 1   -4   14   11 o  603.705   63.888   1.7479   0.3495   1.7059   0.5077   1.7857   0.4819  580.880   98.495  598.735   90.276 -17.85492 133.6078 
1 1 1   -4   14   12 o  618.386   66.646   1.8468   0.3732   2.3495   0.5567   1.4364   0.5030  685.653   90.450  524.977  107.742 160.6761 140.6750 
1 1 1   -4   14   13 o  458.375   83.032   1.0550   0.3373   1.1690   0.5103   0.9664   0.4496  465.599  118.733  425.639  112.924 39.95956 163.8576 
1 1 1   -4   14   14 o  667.555   61.822   2.1403   0.3754   1.8272   0.5774   2.3697   0.4942  590.331  110.354  693.938   78.785 -103.6077 135.5912 
1 1 1   -4   14   15 o  249.936   95.333   0.2421   0.3046   0.3327   0.4725   0.1776   0.3985  297.066  117.209  257.486  105.485 39.58060 157.6859 
1 1 1   -4   14   16 o  587.963   73.706   1.6889   0.3900   1.2432   0.5926   2.0295   0.5180  475.919  131.127  636.172   91.088 -160.2523 159.6600 
1 1 1   -4   14   17 o  661.096   63.799   2.0941   0.3833   1.9880   0.5417   2.2004   0.5424  628.344   96.799  664.742   91.064 -36.39838 132.9011 
1 1 1   -4   14   18 o  1062.05   50.868   5.2855   0.4971   5.0361   0.6943   5.5479   0.7121  1023.93   74.189  1076.01   72.346 -52.08173 103.6246 
1 1 1   -4   14   19 o  364.398  118.949   0.6651   0.4586   0.0346   0.6415   1.3240   0.6557  293.313  127.510  495.769  138.438 -202.4560 188.2120 
1 1 1   -4   14   20 o  191.032   88.302  -0.2532   0.3648   0.3070   0.6126  -0.5611   0.4541  320.095  130.924  190.375   91.133 129.7199 159.5192 
1 1 1   -4   14   21 o  733.356   91.268   2.6798   0.6026   2.8409   0.8089   2.4789   0.9032  732.831  124.405  662.989  151.374 69.84155 195.9354 
1 1 1   -4   14   22 o  605.914  109.827   1.9368   0.5898   3.8772   1.1472   1.2396   0.6876  811.959  159.235  463.094  145.100 348.8646 215.4292 
1 1 1   -4   14   23 o  557.523  125.363   1.7645   0.6275   2.1465   0.9553   1.4747   0.8322  568.794  169.676  478.839  160.406 89.95523 233.4953 
1 1 1   -4   14   24 o  443.827  116.333   1.1380   0.4809   1.1860   0.6630   1.0848   0.6985  431.261  143.141  411.820  146.509 19.44144 204.8277 
1 1 1   -4   16    1 o  1572.64   52.890   11.481   0.7654   0.0000   0.0000   11.481   0.7654  ?   ?   1572.64   52.890 0.000000 52.88980 
1 1 1   -4   16    2 o  373.661   92.045   0.6858   0.3144   0.0000   0.0000   0.6858   0.3144  ?   ?   373.661   92.045 0.000000 92.04517 
1 1 1   -4   16    3 o  741.856   48.172   2.5635   0.3271   2.7064   0.5236   2.4720   0.4188  755.562   76.355  725.177   63.403 30.38550 99.24704 
1 1 1   -4   16    4 o  522.725   53.071   1.2838   0.2517   1.3507   0.3604   1.2202   0.3518  530.773   75.950  503.299   78.523 27.47311 109.2440 
1 1 1   -4   16    5 o  494.572   55.649   1.1550   0.2489   1.3863   0.3500   0.9187   0.3538  537.996   72.561  431.032   92.015 106.9641 117.1833 
1 1 1   -4   16    6 o  909.934   52.337   3.8755   0.4364   4.9262   0.8745   3.5272   0.5035  1007.42   95.475  864.336   63.762 143.0883 114.8089 
1 1 1   -4   16    7 o  680.375   50.598   2.1730   0.3145   2.8973   0.4798   1.6274   0.4165  780.545   67.467  579.044   80.324 201.5009 104.8985 
1 1 1   -4   16    8 o  301.810   92.360   0.4480   0.2805   0.0666   0.3621   1.0204   0.4435  233.579   98.498  445.070  109.130 -211.4913 147.0073 
1 1 1   -4   16    9 o  348.419  109.379   0.6156   0.3905   0.6156   0.3905   0.0000   0.0000  348.419  109.379  ?   ?  0.000000 109.3791 
1 1 1   -4   16   10 o  378.255   86.293   0.7257   0.2937   1.0544   0.4782   0.5266   0.3722  445.198  115.678  324.777  107.219 120.4213 157.7256 
1 1 1   -4   16   11 o  1020.99   50.609   4.9130   0.4755   5.5999   0.7005   4.3262   0.6474  1075.59   71.180  942.066   75.318 133.5209 103.6311 
1 1 1   -4   16   12 o  309.081   97.068   0.4845   0.3075   0.3960   0.4268   0.5800   0.4435  300.358  113.259  338.641  117.022 -38.28357 162.8548 
1 1 1   -4   16   13 o  448.202   90.706   1.0279   0.3613   1.7497   0.5552   0.4980   0.4757  577.359  108.487  325.240  120.173 252.1187 161.8982 
1 1 1   -4   16   14 o  516.812   81.604   1.3329   0.3752   0.9884   0.5228   1.6988   0.5388  425.376  125.180  570.530  106.542 -145.1537 164.3813 
1 1 1   -4   16   15 o  573.111   78.202   1.6207   0.4016   1.6055   0.5777   1.6349   0.5587  548.357  117.998  556.591  112.954 -8.234863 163.3471 
1 1 1   -4   16   16 o  496.445   89.814   1.2413   0.3952   1.4737   0.6449   1.1016   0.5001  518.126  134.192  454.576  118.382 63.54999 178.9468 
1 1 1   -4   16   17 o  182.213   85.559  -0.3359   0.3646  -0.9876   0.7329  -0.1216   0.4203  232.133  112.289  222.668   99.678 9.465469 150.1485 
1 1 1   -4   16   18 o  426.197  130.442   0.9580   0.5594   0.0000   0.0000   0.9580   0.5594  ?   ?   426.197  130.442 0.000000 130.4417 
1 1 1   -4   16   19 o  413.572  102.910   0.8805   0.3901  -0.1295   0.5073   2.3409   0.6100  244.559  109.492  682.399  100.127 -437.8409 148.3703 
1 1 1   -4   16   20 o  256.540  104.771   0.1743   0.3916   0.6968   0.6136  -0.1847   0.5086  375.647  136.841  237.612  107.714 138.0348 174.1487 
1 1 1   -4   16   21 o  491.235  110.114   1.2841   0.4854   1.4038   0.6070   1.0718   0.8085  501.695  130.319  434.445  157.259 67.25006 204.2388 
1 1 1   -4   16   22 f  195.106   93.533  -0.5403   0.4823  -0.9073   0.6540  -0.1030   0.7139  212.582  103.575  279.570  127.077 -66.98773 163.9404 
1 1 1   -4   16   23 o  527.348  109.615   1.5503   0.5145   1.2996   0.6999   1.8452   0.7590  448.901  146.981  535.948  148.683 -87.04648 209.0696 
1 1 1   -4   18    1 o  1200.56   41.149   6.6973   0.4546   6.7420   0.6445   6.6531   0.6413  1198.57   58.434  1190.60   58.536 7.971436 82.71021 
1 1 1   -4   18    2 o  398.458   71.308   0.7733   0.2519   0.6329   0.3397   0.9446   0.3754  355.081   99.804  433.522   96.569 -78.44077 138.8760 
1 1 1   -4   18    3 o  786.275   47.180   2.8933   0.3398   3.6937   0.5022   2.2178   0.4614  883.514   62.173  678.892   75.115 204.6217 97.50780 
1 1 1   -4   18    4 o  704.590   61.141   2.3560   0.3925   2.3616   0.7617   2.3539   0.4579  673.379  127.606  700.180   72.107 -26.80054 146.5699 
1 1 1   -4   18    5 o  426.681   86.543   0.9094   0.3282   0.2693   0.6620   1.1180   0.3779  324.138  134.685  472.854   90.132 -148.7158 162.0608 
1 1 1   -4   18    6 o  1009.22   63.580   4.8493   0.5874   5.2929   0.9586   4.5826   0.7433  1027.67  102.748  968.800   84.222 58.86707 132.8553 
1 1 1   -4   18    7 o  726.235   73.676   2.5602   0.4855   2.6725   0.7931   2.4930   0.6140  708.996  126.200  703.283   97.505 5.713257 159.4797 
1 1 1   -4   18    8 o  723.114   76.167   2.5574   0.4992   2.5574   0.4992   0.0000   0.0000  723.114   76.167  ?   ?  0.000000 76.16660 
1 1 1   -4   18    9 o  595.231   66.343   1.7190   0.3572   1.0106   0.4837   2.5688   0.5297  431.814  118.252  720.330   81.347 -288.5160 143.5300 
1 1 1   -4   18   10 o  955.619   52.702   4.3344   0.4616   4.2245   0.6531   4.4441   0.6525  927.357   77.243  952.960   75.023 -25.60254 107.6799 
1 1 1   -4   18   11 o  660.858   66.619   2.1206   0.3996   1.7251   0.5605   2.5294   0.5698  569.978  110.863  708.250   89.424 -138.2723 142.4333 
1 1 1   -4   18   12 o  367.260  102.172   0.7103   0.3579   1.5029   0.6260   0.3254   0.4362  518.087  131.176  288.049  112.944 230.0376 173.0999 
1 1 1   -4   18   13 o  714.014   73.844   2.4960   0.4782   2.2590   0.8111   2.6221   0.5919  629.883  143.189  721.035   91.263 -91.15216 169.7997 
1 1 1   -4   18   14 o  1315.92   54.240   8.1930   0.6568   7.7798   0.9549   8.5640   0.9048  1257.06   83.020  1327.64   74.361 -70.57898 111.4531 
1 1 1   -4   18   15 o  1131.38   58.485   6.0820   0.6068   6.3257   0.8697   5.8509   0.8470  1135.25   83.848  1090.63   85.071 44.61829 119.4472 
1 1 1   -4   18   16 o  290.420  106.806   0.3650   0.3751   0.6965   0.5644   0.1028   0.5019  374.076  131.845  270.859  115.180 103.2163 175.0705 
1 1 1   -4   18   17 o  282.793  109.058   0.3020   0.4015   0.1338   0.5695   0.4683   0.5662  289.325  122.850  336.456  129.576 -47.13046 178.5556 
1 1 1   -4   18   18 o  245.988  109.496  -0.0948   0.4995   1.9314   1.1567  -0.5593   0.5539  562.767  189.106  217.044  102.977 345.7232 215.3262 
1 1 1   -4   18   19 o  766.131   83.621   2.8926   0.5799   5.6372   1.2464   2.1342   0.6552  1022.88  135.774  637.801  115.906 385.0778 178.5181 
1 1 1   -4   18   20 o  287.061  113.063   0.3168   0.4389  -0.1788   0.5281   1.4250   0.7896  240.184  109.219  489.115  155.765 -248.9315 190.2407 
1 1 1   -4   18   21 o  374.273  115.407   0.7724   0.4370   0.7878   0.6050   0.7555   0.6318  376.639  136.083  372.099  138.287 4.539093 194.0150 
1 1 1   -4   18   22 o  273.053  118.553   0.1607   0.5531   0.5490   0.7633  -0.2688   0.8027  341.201  143.400  273.511  127.955 67.68997 192.1878 
1 1 1   -4   18   23 o  526.282  170.197   2.1050   0.9399   2.1050   0.9399   0.0000   0.0000  526.282  170.197  ?   ?  0.000000 170.1972 
1 1 1   -4   20    1 o  488.173   79.638   1.1834   0.3454   1.2612   0.4351   1.0507   0.5680  495.196   98.947  438.352  130.845 56.84464 164.0456 
1 1 1   -4   20    2 o  360.768  112.618   0.6773   0.4146  -0.1889   0.6523   1.2647   0.5372  268.306  121.767  484.501  120.882 -216.1954 171.5798 
1 1 1   -4   20    3 o  248.420  103.526   0.1300   0.3928  -0.4105   0.6656   0.4188   0.4865  252.163  117.484  313.705  120.288 -61.54190 168.1416 
1 1 1   -4   20    4 o  495.730   75.938   1.2155   0.3354   1.2460   0.4379   1.1722   0.5216  490.147  100.461  464.705  120.842 25.44260 157.1472 
1 1 1   -4   20    5 o  685.883   62.651   2.2654   0.3910   2.1882   0.4803   2.4172   0.6734  664.822   80.131  678.032  111.833 -13.20966 137.5776 
1 1 1   -4   20    6 o  1023.20   47.719   4.9311   0.4493   5.5152   0.6357   4.3480   0.6351  1069.96   64.872  943.388   73.748 126.5696 98.21967 
1 1 1   -4   20    7 o  691.487   72.265   2.3446   0.4530   2.5424   0.5340   1.8367   0.8558  713.630   82.858  548.023  159.838 165.6068 180.0383 
1 1 1   -4   20    8 o  640.346   68.022   2.0018   0.3947   1.8311   0.5727   2.1561   0.5446  586.263  110.212  648.831   93.955 -62.56781 144.8249 
1 1 1   -4   20    9 o  404.266   98.422   0.8617   0.3627   0.5738   0.5788   1.0479   0.4654  344.515  131.413  438.367  114.223 -93.85196 174.1157 
1 1 1   -4   20   10 o  304.312  110.481   0.4423   0.3995   0.7095   0.7835   0.3485   0.4644  379.501  150.550  294.960  116.254 84.54044 190.2111 
1 1 1   -4   20   11 o  264.374  105.808   0.2403   0.3903   1.1256   0.8511   0.0046   0.4392  438.783  160.961  239.255  104.726 199.5276 192.0311 
1 1 1   -4   20   12 o  294.061  114.027   0.3568   0.4408  -1.1615   0.8650   0.8894   0.5123  244.342  119.063  402.633  125.101 -158.2911 172.7028 
1 1 1   -4   20   13 o  437.971   98.439   0.9984   0.3871   1.5352   0.6007   0.6172   0.5061  529.282  125.282  350.006  124.697 179.2764 176.7618 
1 1 1   -4   20   14 o  569.727   84.005   1.6154   0.4272   1.6035   0.6165   1.6264   0.5925  544.016  125.677  551.409  120.167 -7.392334 173.8816 
1 1 1   -4   20   15 o  391.541  107.873   0.7985   0.4011   0.5926   0.5614   1.0131   0.5731  354.645  130.638  433.488  131.904 -78.84344 185.6473 
1 1 1   -4   20   16 o  766.032   73.581   2.8389   0.5123   2.7041   0.7388   2.9637   0.7109  723.287  114.850  765.286  103.619 -41.99835 154.6846 
1 1 1   -4   20   17 o  605.591  114.256   1.9147   0.6133   3.2047   1.3559   1.5829   0.6877  707.968  199.553  535.179  138.564 172.7888 242.9432 
1 1 1   -4   20   18 o  611.425   92.005   1.8855   0.5016   2.2656   0.7316   1.5485   0.6890  647.298  127.373  524.371  140.121 122.9271 189.3613 
1 1 1   -4   20   19 o  240.461  107.176  -0.0644   0.4803   0.3000   0.8036  -0.2670   0.5991  335.229  144.220  246.913  113.788 88.31694 183.7039 
1 1 1   -4   20   20 o  282.194  117.955   0.2445   0.5121  -0.1732   0.6531   0.9113   0.8251  261.633  119.915  397.912  155.528 -136.2786 196.3891 
1 1 1   -4   20   21 o  204.537   95.476  -0.2625   0.4429  -0.7487   0.6108   0.2767   0.6432  207.931  101.033  297.658  128.538 -89.72720 163.4916 
1 1 1   -4   20   22 o  346.269  140.515   0.7129   0.6988   0.7310   0.8409   0.6727   1.2560  352.263  149.413  361.290  165.851 -9.026642 223.2284 
1 1 1   -4   22    1 o  525.436   99.939   1.4529   0.4655   1.2145   0.8309   1.5620   0.5620  445.647  159.660  532.790  117.775 -87.14304 198.3991 
1 1 1   -4   22    2 o  1093.03   51.863   5.6725   0.5216   4.7272   0.6860   6.9680   0.8031  977.485   76.891  1191.02   73.645 -213.5306 106.4699 
1 1 1   -4   22    3 o  181.317   83.724  -0.2007   0.3267  -0.1902   0.4568  -0.2118   0.4675  219.622  100.523  220.136  101.102 -0.5133514 142.5707 
1 1 1   -4   22    4 o  475.600   94.303   1.1808   0.3981   1.7548   0.5970   0.7210   0.5343  564.679  118.665  364.922  128.314 199.7565 174.7736 
1 1 1   -4   22    5 o  243.983   99.418   0.1789   0.3516   0.1785   0.4011   0.1803   0.7305  254.221  105.166  309.799  135.347 -55.57797 171.4021 
1 1 1   -4   22    6 o  682.681   74.019   2.3058   0.4575   2.3357   0.5251   2.2114   0.9325  679.174   85.940  589.948  165.211 89.22607 186.2268 
1 1 1   -4   22    7 o  390.806   91.638   0.7989   0.3238   1.1166   0.4408   0.4264   0.4773  455.003  107.070  308.148  118.883 146.8553 159.9911 
1 1 1   -4   22    8 o  1012.88   53.598   4.8909   0.4978   4.3347   0.6741   5.5577   0.7381  934.375   79.152  1061.53   76.066 -127.1574 109.7773 
1 1 1   -4   22    9 o  420.606   93.245   0.9234   0.3514   0.5282   0.4497   1.5434   0.5633  325.105  117.341  530.250  118.432 -205.1450 166.7183 
1 1 1   -4   22   10 f  650.781   69.107   2.0716   0.4075   2.0830   0.5649   2.0593   0.5884  632.946  100.343  625.198  106.065 7.747314 146.0086 
1 1 1   -4   22   11 o  757.720   66.570   2.7848   0.4594   2.5655   0.6521   3.0010   0.6474  702.165  104.085  768.419   93.482 -66.25336 139.9021 
1 1 1   -4   22   12 o  180.053   83.518  -0.2344   0.3306  -0.1019   0.4787  -0.3551   0.4570  237.126  106.250  205.917   96.401 31.20822 143.4654 
1 1 1   -4   22   13 o  312.173  106.609   0.4765   0.3677   0.6394   0.5338   0.3295   0.5072  358.174  128.009  302.347  120.754 55.82709 175.9767 
1 1 1   -4   22   14 o  147.400   72.535  -0.6808   0.3459  -0.7693   0.4759  -0.5817   0.5036  181.156   88.284  201.506   96.328 -20.34958 130.6640 
1 1 1   -4   22   15 o  722.419   79.986   2.5582   0.5228   2.3625   0.7471   2.7460   0.7318  664.841  126.750  727.974  112.900 -63.13306 169.7412 
1 1 1   -4   22   16 o  950.078   84.153   4.4487   0.7281   7.5472   1.6187   3.6629   0.8152  1154.67  156.376  844.349  107.350 310.3160 189.6774 
1 1 1   -4   22   17 o  710.134   99.906   2.5879   0.6348   3.3785   1.3236   2.3518   0.7234  713.267  195.738  658.940  123.854 54.32684 231.6317 
1 1 1   -4   22   18 o  693.618  101.616   2.5149   0.6293   3.4040   1.1257   2.1107   0.7590  735.662  169.747  603.071  139.545 132.5905 219.7430 
1 1 1   -4   22   19 o  493.644  143.942   1.5114   0.6941   1.8443   0.8315   0.7462   1.2605  531.304  158.253  393.173  174.528 138.1307 235.5930 
1 1 1   -4   22   20 o  300.570  122.079   0.4184   0.5279   1.3658   0.8047  -0.2976   0.6995  441.248  157.226  252.043  118.401 189.2054 196.8213 
1 1 1   -4   22   21 o  448.415  136.493   1.3353   0.6136   1.9178   0.8822   0.7892   0.8541  497.270  165.117  354.105  150.408 143.1645 223.3518 
1 1 1   -4   24    1 o  359.938  107.100   0.7063   0.3810   0.9885   0.5369   0.4200   0.5407  413.671  127.986  311.520  124.586 102.1514 178.6118 
1 1 1   -4   24    2 o  204.262   91.772  -0.0878   0.3597  -0.0345   0.4830  -0.1543   0.5391  241.335  107.527  240.905  109.858 0.4297485 153.7235 
1 1 1   -4   24    3 o  382.477  113.941   0.8105   0.4310   1.2500   0.4980  -0.5006   0.8602  474.183  115.267  273.712  129.412 200.4709 173.3032 
1 1 1   -4   24    4 o  198.743   91.796  -0.2192   0.3931   0.2625   0.4606  -1.5126   0.7546  277.256  113.477  205.257  102.088 71.99855 152.6398 
1 1 1   -4   24    5 o  218.367   93.103   0.0641   0.3295  -0.6806   0.4372   1.0439   0.5014  173.098   84.413  429.775  121.430 -256.6769 147.8878 
1 1 1   -4   24    6 o  713.569   73.576   2.5204   0.4762   2.2928   0.5763   3.0101   0.8453  663.556   97.274  730.321  130.584 -66.76508 162.8325 
1 1 1   -4   24    7 o  634.847   70.781   1.9865   0.4064   1.7638   0.5404   2.2764   0.6167  575.214  106.013  655.129  105.907 -79.91510 149.8501 
1 1 1   -4   24    8 o  232.204   95.513   0.1413   0.3283   0.4826   0.4531  -0.2362   0.4765  315.991  117.172  220.100  101.449 95.89070 154.9878 
1 1 1   -4   24    9 o  409.271   96.547   0.8802   0.3577   1.0894   0.4857   0.6322   0.5288  445.217  117.021  350.489  127.133 94.72772 172.7913 
1 1 1   -4   24   10 o  532.674   88.643   1.4418   0.4192   1.1863   0.5624   1.7613   0.6289  460.610  128.055  566.317  124.115 -105.7064 178.3324 
1 1 1   -4   24   11 o  867.451   62.212   3.6092   0.4933   3.2705   0.6798   3.9860   0.7169  805.417   93.458  893.952   88.309 -88.53516 128.5805 
1 1 1   -4   24   12 o  357.476  110.650   0.6653   0.4012   1.4060   0.5641  -0.0932   0.5708  510.262  121.831  260.234  116.353 250.0279 168.4660 
1 1 1   -4   24   13 f  265.036  103.879   0.2532   0.3689   0.6228   0.5821   0.0051   0.4768  358.766  132.855  250.549  109.409 108.2171 172.1066 
1 1 1   -4   24   14 o  402.711  115.863   0.8676   0.4524   0.5756   0.6433   1.1535   0.6364  355.669  137.792  453.499  139.188 -97.82913 195.8569 
1 1 1   -4   24   15 f  441.901  114.028   1.0534   0.4668   0.8518   0.6707   1.2429   0.6500  397.438  143.326  466.358  140.156 -68.91986 200.4644 
1 1 1   -4   24   16 o  1002.93   85.915   5.0465   0.7852   8.4404   1.7907   4.2385   0.8737  1170.77  171.282  897.836  107.917 272.9353 202.4442 
1 1 1   -4   24   17 o  305.804  122.753   0.3958   0.5270   0.8982   0.8511   0.0833   0.6712  395.766  156.939  287.896  127.598 107.8704 202.2647 
1 1 1   -4   24   18 o  305.445  134.744   0.2357   0.7400  -0.4911   0.8830   1.9513   1.3566  270.527  128.830  478.401  195.155 -207.8731 233.8435 
1 1 1   -4   24   19 o  215.279   99.642  -0.1768   0.4668  -0.4152   0.6715   0.0462   0.6494  236.215  112.452  268.553  121.731 -32.33794 165.7225 
1 1 1   -4   26    1 o  460.230  120.498   1.2035   0.5163   1.2895   0.6166   1.0015   0.9445  465.327  135.660  410.066  164.428 55.26111 213.1672 
1 1 1   -4   26    2 o  242.514  106.283   0.0308   0.4536   0.1433   0.5318  -0.2698   0.8690  271.894  117.144  289.117  134.549 -17.22305 178.3992 
1 1 1   -4   26    3 o  372.675  112.364   0.7661   0.4173   0.5713   0.5454   1.0413   0.6482  336.263  127.727  418.296  141.559 -82.03268 190.6649 
1 1 1   -4   26    4 o  546.057   93.766   1.5540   0.4542   1.5566   0.5878   1.5500   0.7153  524.493  123.793  504.591  145.840 19.90167 191.2960 
1 1 1   -4   26    5 o  537.072   89.019   1.4842   0.4245   0.9803   0.5450   2.2614   0.6769  413.799  129.105  641.139  119.124 -227.3408 175.6664 
1 1 1   -4   26    6 o  860.961   65.669   3.6037   0.5163   3.3847   0.6935   3.8762   0.7734  811.592   94.640  864.930   98.955 -53.33777 136.9265 
1 1 1   -4   26    7 o  280.687  106.818   0.3399   0.3819   0.2237   0.4929   0.5144   0.6039  279.280  116.146  336.693  132.617 -57.41284 176.2872 
1 1 1   -4   26    8 o  325.110  108.786   0.5414   0.3828   0.2192   0.4846   1.0760   0.6242  278.414  115.420  434.347  138.518 -155.9333 180.3020 
1 1 1   -4   26    9 o  161.760   77.644  -0.4312   0.3346  -0.8440   0.4196   0.2901   0.5546  159.524   78.766  301.459  124.084 -141.9350 146.9727 
1 1 1   -4   26   10 f  273.529  105.661   0.2950   0.3774   0.1257   0.5249   0.4760   0.5429  274.810  117.348  328.595  126.787 -53.78549 172.7584 
1 1 1   -4   26   11 o  367.244  115.638   0.7134   0.4361   0.3197   0.5796   1.2271   0.6621  310.128  127.159  464.140  141.888 -154.0117 190.5295 
1 1 1   -4   26   12 o  618.531   91.438   1.9399   0.5047   1.2033   0.6878   2.7998   0.7431  457.073  145.356  727.236  114.853 -270.1630 185.2554 
1 1 1   -4   26   13 o  214.560   96.768  -0.1224   0.4044  -0.7304   0.5399   0.6551   0.6105  198.441   96.084  360.668  135.563 -162.2268 166.1611 
1 1 1   -4   26   14 o  811.160   76.549   3.2606   0.5646   4.7114   0.8931   2.2947   0.7287  949.214  103.951  639.806  128.242 309.4085 165.0814 
1 1 1   -4   26   15 o  678.795  117.039   2.5453   0.7046   5.1714   1.6190   1.9316   0.7826  824.495  212.161  557.992  149.440 266.5038 259.5083 
1 1 1   -4   26   16 o  220.112  102.558  -0.2645   0.5073  -1.5033   0.8821   0.3477   0.6201  224.239  111.335  304.403  128.666 -80.16483 170.1479 
1 1 1   -4   26   17 o  227.697  109.044  -0.5037   0.6517  -0.1020   0.7803  -1.4301   1.1850  275.181  127.873  262.118  129.953 13.06302 182.3166 
1 1 1   -4   26   18 o  233.915  107.637  -0.0848   0.5334  -0.9591   0.7407   0.8567   0.7686  214.757  105.771  355.226  146.130 -140.4687 180.3933 
1 1 1   -4   28    1 f  361.588  121.493   0.7123   0.4774   0.3359   0.6328   1.2096   0.7274  313.478  131.087  446.916  149.964 -133.4388 199.1805 
1 1 1   -4   28    2 o  748.784   83.880   2.8232   0.5680   2.6147   0.7368   3.1286   0.8918  690.769  120.283  741.252  135.757 -50.48334 181.3779 
1 1 1   -4   28    3 o  884.580   71.762   3.8394   0.5791   4.2699   0.7884   3.3350   0.8534  912.214   95.329  779.875  122.997 132.3390 155.6145 
1 1 1   -4   28    4 o  930.006   68.497   4.2122   0.5820   4.9716   0.8112   3.4063   0.8356  991.621   89.876  794.951  117.804 196.6695 148.1738 
1 1 1   -4   28    5 o  498.492  103.087   1.3130   0.4572   0.7788   0.5760   2.2230   0.7518  378.948  133.232  627.140  134.332 -248.1921 189.1981 
1 1 1   -4   28    6 o  908.920   69.366   4.0205   0.5758   4.4164   0.7888   3.5692   0.8423  933.102   93.117  819.007  114.931 114.0955 147.9184 
1 1 1   -4   28    7 o  272.453  108.583   0.2666   0.4093   0.7214   0.5436  -0.3285   0.6219  368.717  129.445  246.652  114.460 122.0650 172.7926 
1 1 1   -4   28    8 o  952.530   66.918   4.3943   0.5828   4.1804   0.7665   4.6874   0.8972  908.303   93.024  951.463  104.186 -43.16052 139.6719 
1 1 1   -4   28    9 o  558.289   96.994   1.6135   0.4802   1.3672   0.6258   1.9664   0.7489  488.905  134.763  583.745  141.007 -94.83926 195.0485 
1 1 1   -4   28   10 o  415.239  120.728   0.9563   0.4889   0.5745   0.6334   1.5191   0.7690  348.313  136.230  500.299  152.909 -151.9861 204.7922 
1 1 1   -4   28   11 o  429.146  117.680   1.0241   0.4786   1.3099   0.6568   0.7005   0.6988  470.294  140.785  368.785  143.413 101.5094 200.9668 
1 1 1   -4   28   12 o  417.990  122.493   0.9962   0.5015   2.3039   0.7078  -0.3223   0.7107  639.473  124.773  260.140  121.269 379.3329 173.9950 
1 1 1   -4   28   13 o  223.311  101.709  -0.1325   0.4603  -0.2366   0.6350  -0.0173   0.6680  250.135  115.930  274.848  124.125 -24.71263 169.8438 
1 1 1   -4   28   14 o  333.263  136.495   0.5647   0.6670   0.4428   1.2407   0.6143   0.7910  358.385  164.636  346.528  145.827 11.85699 219.9333 
1 1 1   -4   28   15 o  674.648  116.655   2.6585   0.6980   4.6401   1.1747   1.5771   0.8678  821.314  161.190  454.832  163.143 366.4824 229.3424 
1 1 1   -4   28   16 o  232.083  108.054  -0.1512   0.5615  -0.7484   0.8022   0.4224   0.7862  233.026  113.793  308.550  137.352 -75.52388 178.3659 
1 1 1   -4   28   17 o  310.931  135.360   0.5614   0.7249   0.6420   0.8074   0.2262   1.6466  321.223  141.261  324.432  159.376 -3.209351 212.9681 
1 1 1   -4   30    1 o  590.128  121.316   1.9309   0.6368   2.2051   0.7648   1.3115   1.1496  616.155  138.287  452.580  181.428 163.5751 228.1218 
1 1 1   -4   30    2 o  352.039  125.498   0.6582   0.5127   0.7418   0.6524   0.5231   0.8293  372.140  140.085  356.350  149.607 15.78976 204.9535 
1 1 1   -4   30    3 o  363.770  127.320   0.7185   0.5257   0.6087   0.6915   0.8688   0.8094  355.334  141.285  396.374  154.285 -41.04037 209.2012 
1 1 1   -4   30    4 o  1229.44   65.927   7.3403   0.7431   8.1041   1.0437   6.5552   1.0582  1263.44   90.375  1119.21  103.942 144.2389 137.7370 
1 1 1   -4   30    5 o  258.719  111.558   0.0984   0.4831   0.5791   0.6278  -0.5989   0.7562  345.666  135.511  251.154  119.500 94.51198 180.6751 
1 1 1   -4   30    6 o  613.560  104.377   2.0006   0.5682   2.1809   0.7566   1.7674   0.8604  611.765  137.726  524.987  161.958 86.77881 212.6001 
1 1 1   -4   30    7 o  349.404  122.979   0.6585   0.4909   1.4072   0.6669  -0.2269   0.7252  483.727  141.100  270.415  124.821 213.3122 188.3866 
1 1 1   -4   30    8 o  248.136  107.882   0.0677   0.4593   0.0609   0.5800   0.0791   0.7520  270.367  119.280  299.088  133.648 -28.72174 179.1354 
1 1 1   -4   30    9 o  499.737  119.027   1.4205   0.5395   1.3563   0.6977   1.5158   0.8508  464.917  146.244  476.122  162.170 -11.20447 218.3726 
1 1 1   -4   30   10 o  590.920  106.326   1.9148   0.5569   2.1518   0.7335   1.5924   0.8556  596.451  136.590  480.450  162.635 116.0011 212.3836 
1 1 1   -4   30   11 o  639.074   97.271   2.2029   0.5540   2.0092   0.7184   2.4870   0.8701  566.749  138.847  612.660  154.392 -45.91083 207.6428 
1 1 1   -4   30   12 o  332.991  136.759   0.6140   0.6718  -0.1249   1.2288   0.9291   0.8024  316.900  151.208  374.532  151.066 -57.63260 213.7405 
1 1 1   -4   30   13 o  496.839  154.753   1.8301   0.7834  -0.2909   1.4810   2.6543   0.9232  316.456  154.552  594.485  163.613 -278.0294 225.0679 
1 1 1   -4   30   14 f  551.924  131.529   2.0222   0.6585   2.4718   1.0192   1.7001   0.8628  517.631  177.488  444.840  162.234 72.79181 240.4618 
1 1 1   -4   30   15 o  260.344  122.697  -0.0250   0.7621  -0.0250   0.7621   0.0000   0.0000  260.344  122.697  ?   ?  0.000000 122.6969 
1 1 1   -4   32    1 o  367.364  133.460   0.7926   0.5831   0.6034   0.7708   1.0454   0.8913  347.671  144.971  402.759  160.326 -55.08762 216.1505 
1 1 1   -4   32    2 o  296.827  124.360   0.3322   0.5711  -0.0113   0.7296   0.8756   0.9177  282.337  128.385  383.871  158.962 -101.5338 204.3319 
1 1 1   -4   32    3 o  271.970  117.855   0.1658   0.5445   0.9432   0.7179  -0.8872   0.8356  389.792  146.909  242.528  117.919 147.2638 188.3803 
1 1 1   -4   32    4 o  287.626  119.487   0.3169   0.5209   1.0496   0.6802  -0.7223   0.8100  406.101  144.565  246.187  118.835 159.9132 187.1385 
1 1 1   -4   32    5 o  551.421  136.580   1.8810   0.6894   2.0508   0.8031   1.4054   1.3442  556.953  152.313  427.331  185.173 129.6220 239.7677 
1 1 1   -4   32    6 o  214.992  102.430  -0.4484   0.5595   0.0325   0.6149  -2.7599   1.3482  265.725  119.631  247.777  125.047 17.94804 173.0560 
1 1 1   -4   32    7 o  289.372  125.735   0.2680   0.6231   0.7025   0.7088  -1.2112   1.3077  347.714  141.364  282.934  139.579 64.77969 198.6607 
1 1 1   -4   32    8 f  499.281  124.134   1.5307   0.5679   2.7652   0.7802   0.1403   0.8281  668.201  131.581  296.513  135.581 371.6885 188.9331 
1 1 1   -4   32    9 o  592.463  113.714   2.0737   0.5974   1.6591   0.7569   2.7587   0.9729  475.352  152.627  598.034  169.197 -122.6817 227.8652 
1 1 1   -4   32   10 o  259.093  112.595   0.2161   0.4998   0.0659   0.6180   0.5003   0.8500  258.621  117.815  316.805  141.791 -58.18405 184.3503 
1 1 1   -4   32   11 o  304.843  136.245   0.4859   0.7819  -1.1587   1.3330   1.3485   0.9654  266.722  133.141  384.193  161.362 -117.4714 209.1985 
1 1 1   -4   32   12 o  343.324  156.725   1.0631   1.1007   0.0000   0.0000   1.0631   1.1007  ?   ?   343.324  156.725 0.000000 156.7254 
1 1 1   -4   34    1 o  209.000  100.570  -0.4616   0.5695  -0.2532   0.7484  -0.7483   0.8779  250.662  119.153  241.243  118.067 9.418625 167.7415 
1 1 1   -4   34    2 o  611.886  120.623   2.3249   0.6550   2.3616   0.8405   2.2682   1.0454  557.872  157.064  489.865  178.589 68.00757 237.8295 
1 1 1   -4   34    3 o  358.565  138.176   0.9118   0.6442   2.2778   0.8527  -0.9038   0.9831  538.198  160.250  246.652  121.553 291.5455 201.1345 
1 1 1   -4   34    4 o  259.036  116.112   0.1574   0.5723   0.1721   0.7252   0.1332   0.9319  276.647  126.638  290.841  136.636 -14.19391 186.2971 
1 1 1   -4   34    5 o  375.448  137.073   1.0344   0.6162   0.9267   0.8151   1.1779   0.9411  348.864  147.489  369.676  157.472 -20.81204 215.7550 
1 1 1   -4   34    6 o  197.215   96.532  -0.6626   0.5875  -0.3540   0.7581  -1.1263   0.9294  240.445  115.784  227.613  113.221 12.83138 161.9414 
1 1 1   -4   34    7 o  229.190  108.089  -0.1485   0.5933  -0.2312   0.7541  -0.0144   0.9609  244.304  117.077  274.803  131.817 -30.49889 176.3032 
1 1 1   -4   34    8 o  379.864  141.747   1.2016   0.6651   0.9575   0.7728   1.8987   1.3060  337.498  143.198  378.124  171.875 -40.62610 223.7113 
1 1 1   -4   34    9 o  260.551  119.263   0.2410   0.6431   0.1824   0.7539   0.3974   1.2322  263.999  123.663  295.226  143.462 -31.22781 189.4041 
1 1 1   -4   34   10 o  266.597  134.713  -0.8731   1.5939   0.0000   0.0000  -0.8731   1.5939  ?   ?   266.597  134.713 0.000000 134.7128 
1 1 1   -4   36    1 o  264.204  124.542   0.3050   0.7859   1.0141   1.1776  -0.2646   1.0553  306.409  146.697  251.033  124.129 55.37637 192.1670 
1 1 1   -4   36    2 o  267.942  126.160   0.3523   0.8023  -0.0379   1.1127   0.7746   1.1577  261.910  129.120  295.572  142.520 -33.66217 192.3122 
1 1 1   -4   36    3 o  360.398  152.928   1.5216   0.8815   2.2736   1.1277   0.3402   1.4135  389.109  169.111  281.265  139.864 107.8437 219.4544 
1 1 1   -4   36    4 o  303.949  148.515   1.1041   1.3724   0.0000   0.0000   1.1041   1.3724  ?   ?   303.949  148.515 0.000000 148.5150 
1 1 1   -4   36    5 o  240.068  119.586  -0.4983   1.0520   0.0000   0.0000  -0.4983   1.0520  ?   ?   240.068  119.586 0.000000 119.5858 
1 1 1   -4   36    6 o  276.342  139.306   0.2553   1.6473   0.0000   0.0000   0.2553   1.6473  ?   ?   276.342  139.306 0.000000 139.3060 
1 1 1   -3    1    1 o  2183.58   33.049   21.961   0.6640   21.465   0.9284   22.480   0.9502  2157.64   46.762  2208.01   46.766 -50.37695 66.13457 
1 1 1   -3    1    2 f  2115.95   19.965   20.607   0.3887   20.119   0.5422   21.123   0.5575  2090.33   28.192  2141.83   28.289 -51.50806 39.93758 
1 1 1   -3    1    3 o  347.291   27.264   0.5588   0.0864   0.6188   0.1253   0.5042   0.1194  364.510   37.904  328.306   40.371 36.20364 55.37612 
1 1 1   -3    1    4 o  1506.48   21.497   10.447   0.2980   10.139   0.3895   10.881   0.4628  1483.83   28.527  1536.94   32.721 -53.10632 43.41063 
1 1 1   -3    1    5 f  1161.02   21.871   6.2056   0.2336   6.1664   0.3304   6.2448   0.3305  1156.98   31.032  1164.32   30.847 -7.340210 43.75570 
1 1 1   -3    1    6 o  1022.12   23.818   4.8108   0.2240   4.9870   0.3233   4.6480   0.3107  1040.22   33.775  1004.24   33.621 35.97833 47.65655 
1 1 1   -3    1    7 o  853.825   26.469   3.3578   0.2080   3.7581   0.3039   3.0050   0.2852  902.839   36.575  807.245   38.398 95.59387 53.02921 
1 1 1   -3    1    8 o  1189.93   25.910   6.5203   0.2837   6.6530   0.4045   6.3918   0.3980  1201.44   36.585  1177.61   36.734 23.82996 51.84438 
1 1 1   -3    1    9 o  553.085   34.508   1.4148   0.1747   1.4714   0.2446   1.3558   0.2498  562.778   47.676  539.672   50.898 23.10504 69.74009 
1 1 1   -3    1   10 o  2389.87   36.766   26.321   0.8085   25.853   1.1293   26.813   1.1581  2366.57   51.859  2410.06   52.220 -43.48584 73.59582 
1 1 1   -3    1   11 o  450.077   45.835   0.9451   0.1872   0.9136   0.2601   0.9790   0.2696  439.045   66.449  454.833   66.376 -15.78754 93.92157 
1 1 1   -3    1   12 o  1561.21   42.098   11.272   0.6048   11.357   0.8526   11.186   0.8579  1563.12   59.279  1551.11   60.110 12.00977 84.42265 
1 1 1   -3    1   13 o  735.768   39.346   2.5144   0.2654   2.9520   0.3829   2.1095   0.3683  794.567   52.665  669.248   60.455 125.3193 80.17783 
1 1 1   -3    1   14 o  763.880   40.173   2.7169   0.2814   2.4133   0.3873   3.0563   0.4095  714.690   59.433  806.084   55.547 -91.39435 81.34955 
1 1 1   -3    1   15 o  848.735   40.398   3.3531   0.3155   3.5163   0.4503   3.1958   0.4421  862.427   57.071  821.302   58.895 41.12439 82.01044 
1 1 1   -3    1   16 o  1793.16   33.845   14.933   0.5584   14.733   0.7826   15.141   0.7971  1772.77   47.978  1796.98   48.206 -24.21118 68.01255 
1 1 1   -3    1   17 o  920.256   42.503   3.9560   0.3599   4.2531   0.5157   3.6739   0.5025  945.642   59.574  877.115   62.673 68.52728 86.46984 
1 1 1   -3    1   18 o  293.662   89.773   0.4285   0.2651   0.5277   0.3771   0.3317   0.3726  326.150  107.939  282.541  105.965 43.60867 151.2592 
1 1 1   -3    1   19 o  878.228   47.373   3.6208   0.3814   4.5988   0.5703   2.8291   0.5131  982.583   63.410  764.934   73.807 217.6484 97.30546 
1 1 1   -3    1   20 o  641.911   59.438   1.9574   0.3471   1.7627   0.4923   2.1498   0.4894  595.650   92.850  664.056   81.828 -68.40576 123.7620 
1 1 1   -3    1   21 f  331.644  119.189   0.4955   0.4634  -0.1063   0.6486   1.1230   0.6623  281.524  125.068  460.891  142.074 -179.3668 189.2806 
1 1 1   -3    1   22 o  541.404   73.465   1.4185   0.3565   1.3678   0.4980   1.4719   0.5107  517.756  108.020  538.068  106.915 -20.31189 151.9843 
1 1 1   -3    1   23 o  319.402  118.453   0.4459   0.4631   0.4972   0.6703   0.3991   0.6405  354.025  139.628  336.498  135.233 17.52679 194.3807 
1 1 1   -3    1   24 o  261.013  102.685   0.2407   0.3617   0.0615   0.4909   0.4535   0.5348  260.585  112.413  325.518  125.776 -64.93314 168.6897 
1 1 1   -3    1   25 o  779.255   67.333   2.9636   0.4781   2.4938   0.6467   3.5297   0.7099  686.857  105.708  828.760   94.796 -141.9031 141.9876 
1 1 1   -3    1   26 o  438.552  112.576   1.0864   0.4566   1.4068   0.6491   0.7726   0.6424  477.497  139.193  367.297  138.838 110.2002 196.5974 
1 1 1   -3    3    1 o  2610.15   35.073   31.385   0.8424   30.185   1.1529   32.759   1.2338  2558.23   48.976  2664.87   50.316 -106.6455 70.21635 
1 1 1   -3    3    2 o  788.763   21.023   2.8637   0.1526   2.8465   0.2159   2.8810   0.2157  786.195   29.840  790.950   29.636 -4.755615 42.05598 
1 1 1   -3    3    3 o  990.617   22.375   4.5174   0.2040   4.7315   0.2921   4.3137   0.2849  1013.55   31.317  967.740   31.998 45.80737 44.77308 
1 1 1   -3    3    4 o  1099.04   24.004   5.5612   0.2428   5.6655   0.3447   5.4584   0.3420  1108.92   33.778  1088.45   34.142 20.47278 48.02750 
1 1 1   -3    3    5 o  787.590   27.155   2.8569   0.1968   3.2009   0.2854   2.5448   0.2718  833.277   37.215  741.808   39.963 91.46869 54.60814 
1 1 1   -3    3    6 o  3221.17   23.556   47.780   0.6982   46.697   0.9054   49.367   1.0966  3183.46   30.909  3272.26   36.419 -88.79590 47.76722 
1 1 1   -3    3    7 o  1682.78   23.782   13.040   0.3682   12.604   0.5153   13.495   0.5264  1653.67   33.865  1711.17   33.432 -57.49561 47.58756 
1 1 1   -3    3    8 o  2097.03   24.511   20.248   0.4730   20.393   0.6751   20.108   0.6628  2103.72   34.873  2088.99   34.484 14.72998 49.04311 
1 1 1   -3    3    9 o  979.346   28.646   4.4169   0.2581   4.8890   0.3751   3.9920   0.3558  1029.92   39.579  930.572   41.554 99.34528 57.38626 
1 1 1   -3    3   10 o  2080.23   37.290   19.945   0.7138   20.315   1.0123   19.580   1.0066  2097.54   52.451  2059.18   53.124 38.35181 74.65434 
1 1 1   -3    3   11 o  246.597   70.406   0.2893   0.1677   0.4218   0.2600   0.1950   0.2194  298.282   88.403  225.353   81.868 72.92897 120.4884 
1 1 1   -3    3   12 o  1311.77   44.048   7.9656   0.5317   8.5698   0.7745   7.4271   0.7311  1356.54   62.050  1262.65   62.930 93.89368 88.37614 
1 1 1   -3    3   13 o  509.405   48.365   1.2171   0.2240   1.0710   0.3156   1.3655   0.3180  470.995   75.355  535.711   65.892 -64.71512 100.1011 
1 1 1   -3    3   14 o  858.542   38.385   3.4213   0.3032   3.6394   0.4361   3.2172   0.4219  880.112   54.117  826.749   55.785 53.36292 77.72161 
1 1 1   -3    3   15 o  1025.35   37.253   4.8868   0.3515   4.3845   0.4786   5.4747   0.5178  964.367   54.157  1080.04   52.103 -115.6680 75.15140 
1 1 1   -3    3   16 o  1429.92   35.882   9.5083   0.4721   9.9495   0.6714   9.0766   0.6640  1455.37   50.133  1389.00   51.955 66.36707 72.19866 
1 1 1   -3    3   17 o  889.319   42.790   3.6955   0.3502   4.0249   0.5054   3.3915   0.4856  919.518   60.068  842.277   63.109 77.24188 87.12550 
1 1 1   -3    3   18 f  963.658   42.561   4.3368   0.3774   4.0846   0.5313   4.5936   0.5361  925.280   62.778  983.195   59.541 -57.91455 86.52311 
1 1 1   -3    3   19 o  209.746   85.699   0.0978   0.2621  -0.0584   0.3839   0.2343   0.3588  220.130   97.081  261.221  102.432 -41.09140 141.1273 
1 1 1   -3    3   20 o  442.893   78.994   0.9657   0.3101   1.1588   0.4616   0.8068   0.4187  474.900  108.072  395.964  110.632 78.93570 154.6578 
1 1 1   -3    3   21 o  264.107  109.316   0.1421   0.4337   0.6844   0.6625  -0.2645   0.5737  385.379  141.921  249.090  113.489 136.2886 181.7179 
1 1 1   -3    3   22 f  254.812   98.599   0.2264   0.3291   0.7243   0.4949  -0.1682   0.4406  379.273  123.560  223.982  101.009 155.2916 159.5933 
1 1 1   -3    3   23 o  422.887  120.453   0.9430   0.4913   0.4194   0.6609   1.5899   0.7346  341.578  137.341  535.991  145.307 -194.4129 199.9415 
1 1 1   -3    3   24 o  204.920   91.572  -0.0920   0.3531  -0.0347   0.4900  -0.1539   0.5092  248.100  109.535  239.383  108.214 8.717926 153.9745 
1 1 1   -3    3   25 o  940.716   59.627   4.2641   0.5135   5.1384   0.7353   3.4318   0.7174  1015.89   79.284  813.380   97.810 202.5101 125.9074 
1 1 1   -3    3   26 o  250.781  107.795   0.1225   0.4482  -0.2098   0.5884   0.5821   0.6919  242.703  112.170  341.895  139.413 -99.19171 178.9355 
1 1 1   -3    5    1 o  1864.42   24.583   16.004   0.4217   15.821   0.5927   16.191   0.6002  1853.10   34.761  1874.64   34.793 -21.53931 49.18236 
1 1 1   -3    5    2 o  929.473   26.770   3.9782   0.2290   4.0322   0.3260   3.9255   0.3217  935.365   37.872  922.904   37.877 12.46039 53.56259 
1 1 1   -3    5    3 o  1427.37   27.617   9.3827   0.3627   8.7838   0.5017   10.039   0.5250  1380.35   39.502  1475.72   38.663 -95.36377 55.27425 
1 1 1   -3    5    4 o  3380.01   25.403   52.611   0.7901   50.687   1.1951   54.104   1.0530  3315.52   39.174  3426.49   33.397 -110.9700 51.47810 
1 1 1   -3    5    5 o  253.521   53.189   0.3081   0.1201   0.2747   0.1904   0.3303   0.1548  244.272   76.318  261.921   64.638 -17.64841 100.0129 
1 1 1   -3    5    6 o  1933.15   26.212   17.213   0.4663   17.449   0.6680   16.988   0.6511  1945.27   37.320  1919.48   36.864 25.79321 52.45702 
1 1 1   -3    5    7 o  1124.29   29.224   5.8226   0.3023   5.9195   0.4312   5.7289   0.4240  1132.92   41.366  1114.53   41.341 18.38403 58.48281 
1 1 1   -3    5    8 o  1522.72   27.236   10.677   0.3816   10.898   0.5126   10.403   0.5716  1537.83   36.227  1502.20   41.349 35.62500 54.97405 
1 1 1   -3    5    9 o  1339.32   34.562   8.2646   0.4259   7.7363   0.5451   9.0927   0.6825  1295.12   45.742  1403.48   52.848 -108.3660 69.89504 
1 1 1   -3    5   10 o  2316.77   30.527   24.729   0.6508   25.228   0.9261   24.242   0.9147  2338.42   43.039  2292.22   43.368 46.20288 61.09937 
1 1 1   -3    5   11 o  1553.64   30.952   11.131   0.4425   11.425   0.5911   10.755   0.6675  1572.74   40.842  1524.85   47.569 47.88416 62.69687 
1 1 1   -3    5   12 o  1391.75   43.281   8.9735   0.5543   9.2773   0.7966   8.6884   0.7717  1410.21   61.387  1364.69   61.457 45.51416 86.86372 
1 1 1   -3    5   13 o  860.752   35.934   3.4308   0.2846   3.4697   0.4073   3.3937   0.3979  861.193   51.633  851.850   50.995 9.343445 72.57034 
1 1 1   -3    5   14 o  493.033   53.473   1.1517   0.2387   1.6336   0.3609   0.7768   0.3183  583.408   68.524  393.485   89.878 189.9232 113.0207 
1 1 1   -3    5   15 o  1293.92   35.286   7.7778   0.4201   7.8300   0.5932   7.7253   0.5951  1292.05   49.895  1283.14   50.402 8.910889 70.92158 
1 1 1   -3    5   16 o  1297.59   37.023   7.8376   0.4421   7.7520   0.6274   7.9219   0.6229  1282.62   53.161  1297.15   52.190 -14.53198 74.49787 
1 1 1   -3    5   17 o  678.819   48.971   2.1742   0.3038   2.5995   0.4543   1.8300   0.4087  734.469   67.996  612.655   73.990 121.8144 100.4886 
1 1 1   -3    5   18 o  697.387   51.113   2.2975   0.3257   1.7967   0.4474   2.8623   0.4751  603.379   82.760  771.640   67.596 -168.2611 106.8576 
1 1 1   -3    5   19 o  552.098   62.015   1.4603   0.3096   1.2132   0.4376   1.7080   0.4381  487.231  100.919  588.953   83.155 -101.7224 130.7651 
1 1 1   -3    5   20 o  522.461   82.320   1.3402   0.3827   1.4645   0.5620   1.2327   0.5225  531.040  118.062  486.489  117.943 44.55096 166.8811 
1 1 1   -3    5   21 o  159.849   76.548  -0.4219   0.3210  -0.0325   0.4522  -0.8177   0.4559  243.876  106.519  174.044   85.158 69.83289 136.3752 
1 1 1   -3    5   22 o  487.291   81.540   1.1685   0.3527   1.2300   0.5095   1.1118   0.4888  486.609  115.510  462.488  115.261 24.12079 163.1801 
1 1 1   -3    5   23 o  274.639  116.071   0.1283   0.5046   0.0170   0.7039   0.2460   0.7237  300.332  131.990  328.085  138.852 -27.75217 191.5750 
1 1 1   -3    5   24 o  240.807   99.733   0.1346   0.3613  -0.1828   0.5182   0.4349   0.5041  237.846  108.170  316.867  122.195 -79.02147 163.1941 
1 1 1   -3    5   25 o  402.339  108.929   0.8893   0.4132   0.5163   0.5734   1.2922   0.5959  329.923  129.453  469.855  132.239 -139.9325 185.0550 
1 1 1   -3    5   26 o  319.899  151.736  -0.2720   1.2009  -0.2720   1.2009   0.0000   0.0000  319.899  151.736  ?   ?  0.000000 151.7361 
1 1 1   -3    7    1 o  1527.27   26.757   10.743   0.3760   11.134   0.5378   10.368   0.5259  1554.06   37.611  1499.61   38.113 54.44800 53.54584 
1 1 1   -3    7    2 o  2536.70   26.588   29.637   0.6206   29.343   0.8725   29.938   0.8830  2522.75   37.585  2548.18   37.658 -25.42944 53.20508 
1 1 1   -3    7    3 o  1639.33   28.234   12.380   0.4259   12.500   0.6066   12.263   0.5981  1646.23   40.043  1630.54   39.865 15.69031 56.50342 
1 1 1   -3    7    4 o  1326.32   30.191   8.1055   0.3685   8.2147   0.5289   8.0026   0.5136  1334.19   43.080  1316.91   42.386 17.27563 60.43594 
1 1 1   -3    7    5 o  2680.19   30.620   33.100   0.7551   33.161   1.0729   33.040   1.0631  2680.61   43.496  2675.76   43.177 4.849609 61.28748 
1 1 1   -3    7    6 o  2224.27   32.431   22.797   0.6638   23.501   0.9632   22.160   0.9160  2256.57   46.386  2191.35   45.428 65.22070 64.92570 
1 1 1   -3    7    7 o  1651.54   31.490   12.565   0.4785   12.989   0.7642   12.291   0.6138  1677.67   49.506  1632.78   40.852 44.89685 64.18526 
1 1 1   -3    7    8 o  2424.21   31.250   27.070   0.6971   27.278   1.1224   26.939   0.8894  2431.30   50.170  2417.45   39.984 13.85205 64.15444 
1 1 1   -3    7    9 f  1512.07   47.515   10.552   0.6611   8.8596   1.2418   11.221   0.7810  1375.07   98.804  1558.52   54.457 -183.4500 112.8175 
1 1 1   -3    7   10 o  1303.40   31.793   7.8320   0.3813   7.6231   0.5089   8.0992   0.5757  1284.82   43.047  1323.83   47.263 -39.01001 63.92786 
1 1 1   -3    7   11 o  1194.41   33.299   6.5864   0.3660   6.2998   0.4800   6.9842   0.5655  1166.51   44.722  1227.28   50.078 -60.76831 67.14066 
1 1 1   -3    7   12 o  869.620   46.341   3.5223   0.3695   3.8094   0.4973   3.1685   0.5520  900.734   60.352  816.781   74.256 83.95227 95.68880 
1 1 1   -3    7   13 o  976.595   35.977   4.4209   0.3233   4.4816   0.4614   4.3623   0.4532  978.202   51.436  965.125   51.212 13.07678 72.58342 
1 1 1   -3    7   14 o  873.541   39.432   3.5503   0.3170   2.9349   0.4340   4.2535   0.4639  786.216   60.458  950.391   53.266 -164.1746 80.57632 
1 1 1   -3    7   15 o  601.088   48.922   1.7060   0.2682   1.6040   0.3879   1.7995   0.3714  572.815   75.419  610.742   67.195 -37.92694 101.0105 
1 1 1   -3    7   16 o  816.721   43.360   3.1278   0.3247   3.8612   0.4822   2.5193   0.4392  900.962   58.476  723.279   66.747 177.6831 88.73846 
1 1 1   -3    7   17 o  290.654   86.266   0.4221   0.2474   0.2981   0.3493   0.5469   0.3505  271.118  102.406  328.755  103.677 -57.63638 145.7254 
1 1 1   -3    7   18 o  675.633   52.558   2.1603   0.3242   2.1193   0.4674   2.1983   0.4500  658.040   78.754  672.665   73.926 -14.62482 108.0155 
1 1 1   -3    7   19 o  1218.77   41.897   6.9246   0.4699   6.3212   0.6549   7.5643   0.6744  1154.07   61.901  1266.34   57.880 -112.2620 84.74574 
1 1 1   -3    7   20 o  628.534   74.015   1.9062   0.4199   1.3259   0.6318   2.3652   0.5619  498.693  134.566  693.744   90.154 -195.0508 161.9744 
1 1 1   -3    7   21 o  352.584  104.084   0.6261   0.3609   0.3473   0.4816   0.9833   0.5452  306.715  119.115  433.752  127.885 -127.0368 174.7658 
1 1 1   -3    7   22 o  567.109   86.982   1.5897   0.4394   1.5218   0.6005   1.6678   0.6447  537.093  124.015  560.816  127.782 -23.72266 178.0672 
1 1 1   -3    7   23 o  517.315   98.215   1.3674   0.4504   1.6132   0.6851   1.1802   0.5978  540.006  137.513  464.072  133.082 75.93387 191.3647 
1 1 1   -3    7   24 o  414.696   97.670   0.9026   0.3665   1.0262   0.5217   0.7822   0.5151  429.622  124.662  379.608  126.172 50.01373 177.3699 
1 1 1   -3    7   25 o  328.628  111.301   0.5797   0.4007   1.1604   0.5665  -0.0020   0.5669  443.496  130.246  260.498  116.250 182.9979 174.5799 
1 1 1   -3    9    1 o  1842.38   28.622   15.639   0.4852   15.653   0.6852   15.625   0.6872  1841.93   40.427  1840.23   40.585 1.694092 57.28366 
1 1 1   -3    9    2 o  1272.82   29.563   7.4647   0.3462   7.4634   0.4892   7.4660   0.4901  1271.77   41.802  1271.98   41.878 -0.2077637 59.17061 
1 1 1   -3    9    3 o  1669.85   29.512   12.847   0.4535   13.278   0.6558   12.453   0.6277  1696.33   42.016  1642.89   41.521 53.43787 59.07080 
1 1 1   -3    9    4 o  1643.33   30.693   12.443   0.4641   12.236   0.6517   12.655   0.6611  1628.43   43.494  1656.10   43.382 -27.67041 61.43080 
1 1 1   -3    9    5 o  2706.30   31.101   33.742   0.7745   34.926   1.1312   32.696   1.0626  2751.46   44.678  2662.39   43.375 89.07080 62.26992 
1 1 1   -3    9    6 o  978.641   36.474   4.4136   0.3285   4.3232   0.4652   4.5036   0.4638  966.298   52.512  986.452   51.278 -20.15448 73.39586 
1 1 1   -3    9    7 o  3194.13   33.777   47.006   0.9927   46.595   1.4034   47.417   1.4045  3177.87   47.992  3205.87   47.612 -27.99561 67.60281 
1 1 1   -3    9    8 o  1938.57   37.013   17.323   0.6602   16.920   0.9376   17.720   0.9299  1913.93   53.236  1958.87   51.591 -44.94702 74.13294 
1 1 1   -3    9    9 o  2090.99   45.078   20.195   0.8673   0.0000   0.0000   20.195   0.8673  ?   ?   2090.99   45.078 0.000000 45.07774 
1 1 1   -3    9   10 o  960.740   40.330   4.2670   0.3565   4.2225   0.5638   4.2966   0.4602  950.016   64.886  961.134   52.236 -11.11737 83.29916 
1 1 1   -3    9   11 o  954.892   48.380   4.2470   0.4237   4.2743   0.5922   4.2184   0.6065  952.337   68.025  945.318   70.226 7.018372 97.77048 
1 1 1   -3    9   12 o  325.898   88.471   0.5264   0.2721   1.1098   0.4180   0.0974   0.3585  470.684   99.619  239.306   99.246 231.3773 140.6191 
1 1 1   -3    9   13 o  283.605   84.338   0.3951   0.2363   0.3083   0.3229   0.4952   0.3468  271.112   99.186  318.633  103.413 -47.52087 143.2907 
1 1 1   -3    9   14 o  669.153   51.511   2.1160   0.3147   2.1355   0.4415   2.0957   0.4487  663.377   73.574  656.121   75.716 7.255798 105.5746 
1 1 1   -3    9   15 o  222.163   87.166   0.1620   0.2599   0.3246   0.3558  -0.0244   0.3808  277.464  103.643  222.748   97.504 54.71561 142.2984 
1 1 1   -3    9   16 o  396.098   82.310   0.7898   0.2902   0.4497   0.3830   1.2485   0.4447  307.842  108.597  491.390  101.710 -183.5476 148.7891 
1 1 1   -3    9   17 o  967.479   41.645   4.3715   0.3707   4.1176   0.5102   4.6557   0.5397  929.830   59.947  989.134   59.574 -59.30347 84.51446 
1 1 1   -3    9   18 o  191.721   81.305   0.0301   0.2489   0.0161   0.3538   0.0438   0.3504  221.785   95.551  225.158   96.000 -3.373581 135.4472 
1 1 1   -3    9   19 o  539.243   65.935   1.3985   0.3204   1.4641   0.4455   1.3284   0.4609  541.126   92.822  511.029  101.602 30.09689 137.6183 
1 1 1   -3    9   20 o  155.264   74.554  -0.4237   0.3092  -0.5842   0.4702  -0.3014   0.4104  193.910   92.799  200.844   93.124 -6.933716 131.4678 
1 1 1   -3    9   21 o  539.010   84.118   1.4294   0.4036   0.7983   0.5691   2.0680   0.5724  396.491  132.645  642.718  100.045 -246.2271 166.1437 
1 1 1   -3    9   22 o  808.152   68.393   3.1337   0.5038   3.1953   0.7152   3.0729   0.7099  798.514   99.490  781.924  101.028 16.58997 141.7915 
1 1 1   -3    9   23 o  323.009  112.508   0.5128   0.4103   0.8473   0.6127   0.2409   0.5524  397.787  137.548  295.940  123.007 101.8468 184.5266 
1 1 1   -3    9   24 o  400.526  103.326   0.8620   0.3833   1.1865   0.5695   0.5932   0.5183  454.885  129.717  340.800  125.523 114.0849 180.5068 
1 1 1   -3    9   25 o  312.759  115.130   0.5078   0.4360   0.8217   0.6665   0.2730   0.5763  374.315  141.438  291.157  123.605 83.15820 187.8378 
1 1 1   -3   11    1 o  1885.45   30.590   16.378   0.5307   16.863   0.7599   15.916   0.7415  1911.87   43.196  1857.39   43.386 54.48462 61.22295 
1 1 1   -3   11    2 o  3227.66   29.701   47.990   0.8821   47.872   1.2420   48.110   1.2531  3221.72   41.895  3229.66   42.166 -7.930908 59.44086 
1 1 1   -3   11    3 o  3393.89   30.017   53.058   0.9374   53.401   1.3361   52.726   1.3155  3402.75   42.672  3381.25   42.282 21.50049 60.07215 
1 1 1   -3   11    4 o  3422.16   30.892   53.947   0.9728   54.103   1.3731   53.789   1.3784  3425.05   43.567  3415.06   43.863 9.985352 61.82290 
1 1 1   -3   11    5 o  804.362   38.103   2.9822   0.2820   2.8186   0.3982   3.1468   0.3994  779.182   55.916  823.873   52.969 -44.69122 77.02159 
1 1 1   -3   11    6 o  1326.20   35.813   8.1058   0.4370   7.9982   0.6171   8.2140   0.6190  1316.22   50.952  1333.90   50.433 -17.67920 71.69039 
1 1 1   -3   11    7 o  1689.30   36.444   13.157   0.5665   13.249   0.8103   13.069   0.7923  1693.37   52.004  1681.91   51.193 11.45813 72.97374 
1 1 1   -3   11    8 o  1090.13   57.136   5.5213   0.5711   0.0000   0.0000   5.5213   0.5711  ?   ?   1090.13   57.136 0.000000 57.13597 
1 1 1   -3   11    9 o  1283.98   41.526   7.6256   0.4906   7.7663   0.7217   7.5047   0.6690  1291.86   60.713  1270.72   57.212 21.13599 83.42248 
1 1 1   -3   11   10 o  794.272   49.259   2.9438   0.3582   2.9570   0.5178   2.9316   0.4961  789.845   72.042  787.315   69.182 2.530457 99.88091 
1 1 1   -3   11   11 o  322.375  105.790   0.4954   0.3625   0.5035   0.3865   0.4367   1.0461  326.527  109.311  402.798  168.499 -76.27087 200.8503 
1 1 1   -3   11   12 o  443.655   79.367   0.9690   0.3121   1.6793   0.6433   0.7504   0.3569  564.932  126.862  383.983  100.022 180.9490 161.5498 
1 1 1   -3   11   13 o  813.130   51.339   3.1181   0.3822   3.8674   0.6299   2.6817   0.4807  892.627   77.456  745.527   70.933 147.0992 105.0279 
1 1 1   -3   11   14 f  660.656   53.913   2.0730   0.3249   1.6332   0.4304   2.6556   0.4954  572.991   84.134  738.735   73.862 -165.7439 111.9559 
1 1 1   -3   11   15 o  649.813   56.863   2.0144   0.3366   1.8846   0.4714   2.1495   0.4808  614.892   85.633  659.893   80.868 -45.00116 117.7828 
1 1 1   -3   11   16 o  1067.25   46.585   5.3436   0.4575   5.9487   0.6667   4.8053   0.6289  1114.03   65.326  998.657   68.859 115.3725 94.91582 
1 1 1   -3   11   17 f  702.466   60.544   2.3583   0.3875   1.7000   0.5390   3.0628   0.5576  573.650  106.011  792.276   77.476 -218.6263 131.3042 
1 1 1   -3   11   18 o  755.683   58.655   2.7139   0.4047   2.5505   0.5797   2.8692   0.5651  717.459   89.778  766.169   81.407 -48.71033 121.1905 
1 1 1   -3   11   19 o  971.491   67.337   4.4991   0.5982   4.2151   0.8902   4.7329   0.8079  916.045  107.663  983.183   90.305 -67.13867 140.5216 
1 1 1   -3   11   20 o  490.585   89.077   1.1975   0.3873   1.7709   0.6009   0.7899   0.5066  586.314  115.490  392.701  124.733 193.6132 169.9884 
1 1 1   -3   11   21 o  910.899   61.422   3.9403   0.5118   4.8967   0.7964   3.2675   0.6680  1000.57   87.381  814.188   90.709 186.3837 125.9503 
1 1 1   -3   11   22 o  195.051   89.897  -0.2333   0.3740  -0.4420   0.5716  -0.0769   0.4947  229.418  107.532  245.631  109.170 -16.21286 153.2363 
1 1 1   -3   11   23 o  527.082  100.298   1.4498   0.4687   2.2469   0.7618   0.9644   0.5945  631.674  135.147  414.392  135.447 217.2820 191.3391 
1 1 1   -3   11   24 o  498.135   97.994   1.3217   0.4332   1.4725   0.6221   1.1797   0.6035  498.672  133.093  443.946  135.413 54.72647 189.8696 
1 1 1   -3   11   25 o  214.648  101.947  -0.4243   0.5456  -0.7222   0.7251  -0.0356   0.8284  231.039  111.743  291.260  134.070 -60.22107 174.5316 
1 1 1   -3   13    1 o  2275.32   32.377   23.852   0.6779   24.876   0.9830   22.924   0.9360  2321.96   46.007  2229.06   45.636 92.89990 64.80195 
1 1 1   -3   13    2 o  2014.07   32.615   18.690   0.6045   18.203   0.8344   19.228   0.8768  1986.30   45.652  2041.30   46.681 -54.99744 65.29334 
1 1 1   -3   13    3 o  1920.52   32.892   16.995   0.5813   17.754   0.8380   16.292   0.8069  1961.45   46.430  1878.94   46.673 82.50220 65.83359 
1 1 1   -3   13    4 o  1051.70   36.426   5.0988   0.3525   5.2398   0.5055   4.9654   0.4918  1065.08   51.576  1036.83   51.554 28.25598 72.92364 
1 1 1   -3   13    5 o  220.194   73.805   0.2114   0.1762   0.2829   0.2575   0.1485   0.2416  258.457   89.173  219.670   84.634 38.78670 122.9417 
1 1 1   -3   13    6 o  740.804   43.069   2.5433   0.2923   2.0691   0.4010   3.0810   0.4270  664.282   66.499  813.503   57.414 -149.2210 87.85484 
1 1 1   -3   13    7 o  1705.65   52.184   13.486   0.8190   0.0000   0.0000   13.486   0.8190  ?   ?   1705.65   52.184 0.000000 52.18374 
1 1 1   -3   13    8 o  373.753   73.599   0.6773   0.2441   0.7748   0.3742   0.6051   0.3221  395.411  102.129  351.007   96.654 44.40500 140.6136 
1 1 1   -3   13    9 o  248.788   83.451   0.2792   0.2253  -0.0038   0.3082   0.6039   0.3301  208.002   89.392  349.200   98.472 -141.1977 132.9947 
1 1 1   -3   13   10 o  676.392   79.697   2.2097   0.4865   2.2097   0.4865   0.0000   0.0000  676.392   79.697  ?   ?  0.000000 79.69733 
1 1 1   -3   13   11 o  662.037   64.806   2.0946   0.3897   2.6371   0.5220   1.4116   0.5858  737.662   78.094  516.884  124.617 220.7779 147.0649 
1 1 1   -3   13   12 o  483.614   74.644   1.1481   0.3215   1.1168   0.4544   1.1794   0.4549  462.384  108.645  476.431  106.438 -14.04758 152.0946 
1 1 1   -3   13   13 o  199.399   85.689   0.0141   0.2831   0.1087   0.4298  -0.0584   0.3763  253.672  107.161  216.516   95.773 37.15610 143.7213 
1 1 1   -3   13   14 o  835.112   55.761   3.3172   0.4260   3.0695   0.6440   3.5100   0.5681  782.346   91.165  849.176   73.430 -66.83020 117.0596 
1 1 1   -3   13   15 o  906.255   49.866   3.8780   0.4142   4.1966   0.6056   3.5979   0.5679  930.714   71.257  860.731   72.369 69.98224 101.5616 
1 1 1   -3   13   16 o  793.631   53.155   2.9848   0.3859   3.3087   0.5548   2.6810   0.5372  824.917   73.867  738.323   80.376 86.59357 109.1637 
1 1 1   -3   13   17 o  314.096   96.749   0.4960   0.3072   0.5096   0.4362   0.4826   0.4327  326.638  115.826  320.801  115.183 5.836884 163.3485 
1 1 1   -3   13   18 o  521.202   82.210   1.3399   0.3812   0.9206   0.5274   1.7986   0.5516  417.762  126.401  594.442  104.668 -176.6797 164.1117 
1 1 1   -3   13   19 o  797.002   76.437   3.0665   0.5537   4.4608   0.8757   2.1377   0.7147  946.294  102.188  638.652  126.091 307.6415 162.3005 
1 1 1   -3   13   20 o  313.564  109.734   0.4590   0.3905   0.6682   0.5980   0.3035   0.5157  373.459  135.240  303.600  121.580 69.85904 181.8560 
1 1 1   -3   13   21 o  589.915  121.336   1.8429   0.6366   1.9789   0.9426   1.7289   0.8633  579.830  167.365  546.290  160.887 33.54022 232.1548 
1 1 1   -3   13   22 o  730.624   88.921   2.6795   0.5855   4.1306   1.2241   2.2490   0.6667  833.933  165.358  650.661  115.588 183.2721 201.7521 
1 1 1   -3   13   23 o  911.580   84.853   4.1944   0.7036   5.0680   1.1166   3.6192   0.9061  948.273  131.502  805.621  126.390 142.6526 182.3931 
1 1 1   -3   13   24 o  471.558  119.431   1.2922   0.5188   2.1160   0.7727   0.6162   0.7000  579.716  145.176  344.665  140.346 235.0509 201.9236 
1 1 1   -3   15    1 o  879.421   40.437   3.5704   0.3272   3.6030   0.4620   3.5376   0.4636  880.079   57.357  871.891   58.115 8.187988 81.65292 
1 1 1   -3   15    2 o  1478.73   36.078   10.089   0.4909   9.5037   0.6777   10.735   0.7120  1433.09   51.394  1523.23   50.801 -90.13342 72.26370 
1 1 1   -3   15    3 o  823.831   41.094   3.1353   0.3115   3.1994   0.4414   3.0717   0.4397  828.523   58.268  811.538   59.294 16.98578 83.13211 
1 1 1   -3   15    4 o  1817.12   39.848   15.257   0.6663   14.110   1.0542   16.021   0.8598  1740.98   65.803  1859.65   50.245 -118.6613 82.79211 
1 1 1   -3   15    5 o  594.678   52.656   1.6544   0.2852   1.1449   0.4276   2.0626   0.3827  482.789   99.552  662.230   63.584 -179.4414 118.1253 
1 1 1   -3   15    6 o  1673.11   53.352   13.025   0.8214   0.0000   0.0000   13.025   0.8214  ?   ?   1673.11   53.352 0.000000 53.35194 
1 1 1   -3   15    7 o  679.555   48.411   2.1591   0.3007   2.6242   0.4701   1.8370   0.3913  743.614   69.516  621.047   69.666 122.5671 98.41682 
1 1 1   -3   15    8 o  619.773   54.728   1.8105   0.3089   1.9994   0.4527   1.6460   0.4225  643.998   77.992  582.442   81.034 61.55579 112.4693 
1 1 1   -3   15    9 o  334.006   98.367   0.5590   0.3227   0.3387   0.3542   1.6356   0.7831  283.341  103.853  545.670  150.896 -262.3292 183.1808 
1 1 1   -3   15   10 o  397.567  101.162   0.8143   0.3710   0.3583   0.5238   1.2732   0.5255  312.222  123.340  491.177  117.791 -178.9546 170.5508 
1 1 1   -3   15   11 o  228.624   90.358   0.1668   0.2812   0.4157   0.4218  -0.0324   0.3774  305.429  113.100  220.655   96.816 84.77455 148.8792 
1 1 1   -3   15   12 o  739.903   59.075   2.6186   0.3988   2.5565   0.5790   2.6748   0.5502  713.549   90.193  734.738   82.832 -21.18896 122.4582 
1 1 1   -3   15   13 o  224.757   90.586   0.1443   0.2883   0.1574   0.4142   0.1321   0.4014  256.605  106.574  249.802  104.429 6.802841 149.2092 
1 1 1   -3   15   14 o  634.222   70.238   1.9600   0.4030   2.0482   0.5548   1.8615   0.5864  632.402   98.552  594.271  111.332 38.13055 148.6848 
1 1 1   -3   15   15 o  554.352   76.582   1.5156   0.3802   1.4510   0.5621   1.5701   0.5162  518.613  120.140  548.595  106.103 -29.98230 160.2856 
1 1 1   -3   15   16 o  263.332  101.529   0.2638   0.3479   0.3081   0.5545   0.2350   0.4468  306.882  124.933  277.103  112.394 29.77914 168.0491 
1 1 1   -3   15   17 o  757.054   68.768   2.7568   0.4738   2.9409   0.9214   2.6907   0.5525  734.947  141.381  740.946   82.428 -5.998230 163.6554 
1 1 1   -3   15   18 o  332.702  125.431   0.4749   0.5234   0.0000   0.0000   0.4749   0.5234  ?   ?   332.702  125.431 0.000000 125.4314 
1 1 1   -3   15   19 o  539.536   86.175   1.4421   0.4134   1.0941   0.5742   1.8167   0.5958  452.329  130.642  593.110  113.292 -140.7816 172.9232 
1 1 1   -3   15   20 o  216.582   95.447  -0.0527   0.3704  -0.1949   0.5331   0.0800   0.5150  242.908  110.179  270.076  115.804 -27.16765 159.8437 
1 1 1   -3   15   21 o  333.425  117.939   0.5494   0.4520   0.5980   0.5675   0.4652   0.7475  351.677  130.993  351.049  144.223 0.6277466 194.8314 
1 1 1   -3   15   22 o  634.617   85.957   2.0428   0.4890   3.8694   0.7656   0.7837   0.6356  865.086   97.897  378.740  139.077 486.3468 170.0774 
1 1 1   -3   15   23 o  496.184  128.346   1.4607   0.5904   1.1038   0.8216   1.8418   0.8490  413.740  156.863  522.392  160.835 -108.6523 224.6642 
1 1 1   -3   15   24 o  542.900  172.552   2.2362   0.9693   2.2362   0.9693   0.0000   0.0000  542.900  172.552  ?   ?  0.000000 172.5518 
1 1 1   -3   17    1 o  843.608   64.338   3.3512   0.4957   0.0000   0.0000   3.3512   0.4957  ?   ?   843.608   64.338 0.000000 64.33802 
1 1 1   -3   17    2 o  713.959   68.287   2.4145   0.4431   0.0000   0.0000   2.4145   0.4431  ?   ?   713.959   68.287 0.000000 68.28738 
1 1 1   -3   17    3 o  1357.35   43.739   8.5544   0.5463   7.1841   0.8307   9.5987   0.7252  1231.66   73.631  1434.06   54.956 -202.3995 91.87879 
1 1 1   -3   17    4 o  819.242   45.933   3.1310   0.3449   2.8912   0.4861   3.3739   0.4893  780.594   68.368  845.403   63.362 -64.80908 93.21467 
1 1 1   -3   17    5 o  946.929   52.615   4.2028   0.4566   4.1105   0.8604   4.2390   0.5388  912.517  104.344  947.603   62.136 -35.08655 121.4434 
1 1 1   -3   17    6 o  1270.91   41.062   7.5106   0.4802   7.2719   0.6644   7.7717   0.6948  1244.01   58.045  1285.74   58.726 -41.72998 82.57073 
1 1 1   -3   17    7 o  949.710   45.852   4.2124   0.4007   3.7396   0.5532   4.7344   0.5812  884.378   68.509  998.157   63.611 -113.7791 93.48759 
1 1 1   -3   17    8 o  224.028   94.991   0.0546   0.3397   0.0546   0.3397   0.0000   0.0000  224.028   94.991  ?   ?  0.000000 94.99122 
1 1 1   -3   17    9 o  322.221   96.975   0.5283   0.3110   0.7632   0.4034   0.1840   0.4884  381.225  109.331  277.328  115.497 103.8973 159.0375 
1 1 1   -3   17   10 o  419.370   85.264   0.8927   0.3178   0.7329   0.4410   1.0654   0.4585  371.779  116.150  446.446  111.839 -74.66711 161.2408 
1 1 1   -3   17   11 o  603.826   84.340   1.8269   0.4558   1.6947   0.8464   1.8808   0.5410  528.839  160.148  602.602  101.146 -73.76343 189.4151 
1 1 1   -3   17   12 o  202.423   89.434  -0.0482   0.3272   0.5367   0.5832  -0.3169   0.3953  341.117  131.471  191.470   89.645 149.6469 159.1249 
1 1 1   -3   17   13 o  241.712   97.640   0.1741   0.3357   0.2563   0.4834   0.0975   0.4667  284.779  116.370  258.625  110.545 26.15445 160.5056 
1 1 1   -3   17   14 o  207.305   90.895  -0.0276   0.3321   0.7310   0.5753  -0.4067   0.4067  374.443  132.992  186.961   88.571 187.4827 159.7859 
1 1 1   -3   17   15 o  327.721  109.439   0.5402   0.3874   1.6020   0.6097  -0.1784   0.5016  543.354  124.607  235.298  106.786 308.0554 164.1038 
1 1 1   -3   17   16 o  449.579  102.375   1.0459   0.4140   0.4993   0.5749   1.6347   0.5967  340.006  130.666  554.810  120.352 -214.8038 177.6466 
1 1 1   -3   17   17 o  983.532   62.052   4.5988   0.5587   5.4460   0.8991   4.0658   0.7131  1049.45   94.104  911.091   86.080 138.3605 127.5356 
1 1 1   -3   17   18 o  1168.92   63.003   6.4963   0.6752   6.1838   1.0093   6.7493   0.9083  1114.06   99.500  1176.64   84.456 -62.58057 130.5102 
1 1 1   -3   17   19 o  557.211   83.202   1.5383   0.4135   1.7831   0.5727   1.2716   0.5978  586.206  110.213  482.963  131.134 103.2429 171.2981 
1 1 1   -3   17   20 o  333.155  124.189   0.5209   0.5103   0.7555   0.6731   0.2040   0.7824  384.218  142.752  326.557  141.392 57.66086 200.9227 
1 1 1   -3   17   21 o  272.599  109.410   0.2677   0.4186   0.5387   0.5868  -0.0133   0.5974  337.619  131.381  268.801  119.690 68.81757 177.7262 
1 1 1   -3   17   22 o  648.238  105.940   2.2829   0.6101   2.6670   0.8846   1.9346   0.8425  652.560  150.410  540.431  158.872 112.1290 218.7773 
1 1 1   -3   17   23 o  323.097  120.182   0.5834   0.4774   0.9111   0.6699   0.2452   0.6805  377.754  141.998  294.240  129.535 83.51474 192.2051 
1 1 1   -3   19    1 o  798.118   50.509   2.9955   0.3690   3.5478   0.5422   2.5188   0.5037  861.070   69.007  721.133   77.105 139.9377 103.4748 
1 1 1   -3   19    2 f  598.816   58.089   1.7049   0.3161   2.3918   0.4778   1.1707   0.4214  703.263   74.998  480.247   98.658 223.0157 123.9277 
1 1 1   -3   19    3 o  560.398   75.143   1.5295   0.3777   2.1670   0.7856   1.3378   0.4308  632.520  138.796  515.553   94.280 116.9669 167.7886 
1 1 1   -3   19    4 o  512.521   80.192   1.2957   0.3658   1.2427   0.7383   1.3130   0.4211  473.004  150.621  510.363   93.102 -37.35846 177.0726 
1 1 1   -3   19    5 o  619.896   70.920   1.8643   0.3973   1.3764   0.7275   2.0715   0.4742  493.873  148.238  648.844   81.201 -154.9705 169.0209 
1 1 1   -3   19    6 o  971.991   68.332   4.5520   0.6073   3.7489   0.8925   5.2443   0.8287  845.380  117.946  1028.42   88.428 -183.0391 147.4136 
1 1 1   -3   19    7 o  572.145  148.509   1.8942   0.7887   1.8942   0.7887   0.0000   0.0000  572.145  148.509  ?   ?  0.000000 148.5088 
1 1 1   -3   19    8 o  582.810   76.136   1.6794   0.3985   1.5009   0.5862   1.8329   0.5435  522.336  123.843  593.067  103.348 -70.73053 161.3003 
1 1 1   -3   19    9 o  520.532   76.265   1.3474   0.3545   1.3673   0.5677   1.3347   0.4538  496.106  124.553  504.484  101.267 -8.377869 160.5255 
1 1 1   -3   19   10 o  239.446   93.911   0.2051   0.3016  -0.3530   0.4470   0.6716   0.4087  202.342   94.923  355.307  111.953 -152.9659 146.7783 
1 1 1   -3   19   11 o  1153.75   52.230   6.3065   0.5545   5.8432   0.7775   6.7861   0.7910  1089.07   78.105  1178.57   73.303 -89.50061 107.1154 
1 1 1   -3   19   12 o  750.565   62.709   2.7169   0.4291   2.8388   0.6138   2.6003   0.6002  749.152   90.896  714.833   93.494 34.31854 130.3960 
1 1 1   -3   19   13 f  439.002   95.800   1.0008   0.3761   1.2817   0.5427   0.7412   0.5217  483.289  122.019  373.252  126.995 110.0364 176.1145 
1 1 1   -3   19   14 o  329.737  105.301   0.5561   0.3606   0.6575   0.5299   0.4687   0.4922  359.723  127.650  322.284  121.604 37.43851 176.3009 
1 1 1   -3   19   15 o  159.028   76.385  -0.4339   0.3251  -0.1732   0.4558  -0.7038   0.4638  225.045  101.999  181.904   88.307 43.14098 134.9144 
1 1 1   -3   19   16 o  430.728  106.973   0.9655   0.4221   0.9341   0.6393   0.9897   0.5619  419.133  140.589  429.584  130.580 -10.45105 191.8759 
1 1 1   -3   19   17 o  1080.44   78.431   5.6647   0.7744   4.2590   1.3980   6.2870   0.9302  842.406  185.385  1129.18   90.280 -286.7787 206.1993 
1 1 1   -3   19   18 o  380.965  118.771   0.7634   0.4614   0.5134   0.6394   1.0349   0.6663  348.304  136.693  434.015  143.471 -85.71054 198.1637 
1 1 1   -3   19   19 o  673.024  100.379   2.3296   0.6026   3.0403   1.1041   2.0280   0.7192  703.773  171.956  603.827  133.033 99.94525 217.4091 
1 1 1   -3   19   20 o  433.326  118.836   1.0482   0.4880   0.9769   0.6090   1.1763   0.8158  411.328  137.223  438.964  158.108 -27.63525 209.3517 
1 1 1   -3   19   21 o  369.038  117.166   0.7764   0.4470   0.9533   0.6196   0.5844   0.6455  396.531  138.246  339.409  135.992 57.12149 193.9226 
1 1 1   -3   19   22 o  254.937  114.186   0.0423   0.5523   0.5993   0.7739  -0.5359   0.7886  338.211  143.387  249.102  119.468 89.10942 186.6345 
1 1 1   -3   21    1 o  261.590  107.184   0.1965   0.4115   0.4350   0.6389   0.0275   0.5379  332.267  134.524  264.362  115.803 67.90506 177.5021 
1 1 1   -3   21    2 o  313.424  104.001   0.4971   0.3500   0.2696   0.4307   0.9395   0.6006  277.220  111.079  410.664  136.235 -133.4444 175.7800 
1 1 1   -3   21    3 o  565.175   93.221   1.6358   0.4679   1.5743   0.6239   1.7148   0.7073  530.759  129.007  546.057  140.087 -15.29828 190.4397 
1 1 1   -3   21    4 o  512.343   97.527   1.3651   0.4430   1.6328   0.5765   0.9792   0.6922  547.930  117.844  415.447  146.052 132.4838 187.6659 
1 1 1   -3   21    5 o  465.045  106.508   1.1568   0.4460   1.1568   0.4460   0.0000   0.0000  465.045  106.508  ?   ?  0.000000 106.5081 
1 1 1   -3   21    6 o  731.280   67.768   2.6089   0.4508   2.6916   0.5231   2.3700   0.8890  735.929   78.454  626.020  155.119 109.9095 173.8301 
1 1 1   -3   21    7 o  699.445   57.613   2.3520   0.3675   1.8534   0.4723   3.1170   0.5851  603.658   87.586  789.625   81.705 -185.9675 119.7792 
1 1 1   -3   21    8 o  683.706   64.146   2.2706   0.3988   1.8386   0.5220   2.8764   0.6182  593.734   99.037  751.084   91.329 -157.3505 134.7195 
1 1 1   -3   21    9 o  398.661   93.479   0.8323   0.3370   1.1441   0.4906   0.5539   0.4636  455.823  116.526  330.940  119.188 124.8827 166.6855 
1 1 1   -3   21   10 o  634.296   82.758   2.0199   0.4715   2.9870   0.9599   1.7123   0.5413  711.390  151.288  567.526  107.598 143.8636 185.6483 
1 1 1   -3   21   11 o  1216.77   63.740   7.1348   0.7112   10.978   1.5442   6.1003   0.8012  1435.29  117.967  1111.62   78.839 323.6709 141.8870 
1 1 1   -3   21   12 o  332.888  139.863   0.3583   0.7257   0.4041   1.0051   0.3083   1.0489  368.208  159.839  364.409  160.605 3.799194 226.5887 
1 1 1   -3   21   13 o  470.683   95.527   1.1413   0.3996   1.2528   0.5688   1.0326   0.5615  476.542  127.302  432.317  130.335 44.22440 182.1900 
1 1 1   -3   21   14 o  434.136   97.740   0.9715   0.3810   0.9900   0.5436   0.9536   0.5342  427.536  128.102  420.353  127.222 7.183838 180.5422 
1 1 1   -3   21   15 o  704.108   78.005   2.4229   0.4969   2.7682   0.7186   2.1066   0.6878  733.436  109.861  629.775  123.110 103.6613 165.0015 
1 1 1   -3   21   16 o  889.463   84.457   3.8939   0.6829   4.6786   1.4264   3.6605   0.7779  882.285  181.743  850.273  101.429 32.01202 208.1309 
1 1 1   -3   21   17 o  688.426   89.411   2.3748   0.5530   2.6122   0.8086   2.1662   0.7580  691.724  131.846  625.456  135.621 66.26740 189.1471 
1 1 1   -3   21   18 o  555.195  106.519   1.6283   0.5244   0.9426   0.7251   2.3801   0.7593  410.500  148.877  654.334  130.677 -243.8338 198.0929 
1 1 1   -3   21   19 o  493.777  155.144   1.5397   0.7855   1.7224   1.0241   1.2786   1.2243  499.918  177.447  444.284  183.762 55.63394 255.4525 
1 1 1   -3   21   20 o  516.136  120.326   1.5443   0.5609   1.2655   0.7852   1.8350   0.8016  435.103  155.277  525.008  155.153 -89.90457 219.5074 
1 1 1   -3   21   21 o  311.702  120.086   0.5319   0.4864   0.9918   0.6743   0.0328   0.7024  385.673  142.958  274.465  125.255 111.2078 190.0681 
1 1 1   -3   23    1 o  702.999   69.707   2.4335   0.4450   3.2296   0.6455   1.7125   0.6143  794.396   89.886  550.657  124.188 243.7388 153.3038 
1 1 1   -3   23    2 o  260.329  102.664   0.2606   0.3623   0.2385   0.4779   0.2906   0.5557  276.515  114.626  295.919  123.215 -19.40372 168.2882 
1 1 1   -3   23    3 o  317.494  105.736   0.5267   0.3617   0.1476   0.4596   1.1429   0.5861  260.192  110.417  442.386  133.110 -182.1942 172.9456 
1 1 1   -3   23    4 o  491.444  102.071   1.2893   0.4465   1.1123   0.5059   1.9133   0.9499  444.147  120.646  536.641  170.844 -92.49396 209.1486 
1 1 1   -3   23    5 o  511.608   81.906   1.3290   0.3726   1.4755   0.5066   1.1564   0.5499  521.984  108.988  448.979  127.267 73.00552 167.5573 
1 1 1   -3   23    6 o  700.195   65.563   2.3932   0.4175   2.2207   0.5520   2.6237   0.6382  655.069   94.291  707.364  100.915 -52.29492 138.1110 
1 1 1   -3   23    7 o  444.835   90.266   1.0284   0.3569   1.3368   0.4997   0.7076   0.5097  494.546  112.372  361.086  125.423 133.4600 168.3996 
1 1 1   -3   23    8 o  459.046   86.070   1.0815   0.3502   0.7049   0.4543   1.6331   0.5497  360.393  118.435  548.499  112.693 -188.1062 163.4820 
1 1 1   -3   23    9 o  755.851   63.399   2.7686   0.4369   2.5537   0.5868   3.0359   0.6544  706.277   92.515  769.181   94.440 -62.90405 132.2043 
1 1 1   -3   23   10 o  510.662   89.648   1.3360   0.4059   0.8437   0.5357   1.9996   0.6219  390.613  128.617  608.990  115.205 -218.3774 172.6687 
1 1 1   -3   23   11 o  159.834   76.633  -0.4100   0.3239  -0.5069   0.4399  -0.2951   0.4788  187.847   89.862  216.604  100.487 -28.75696 134.8069 
1 1 1   -3   23   12 o  321.695  106.172   0.5223   0.3650   0.9029   0.4977   0.0797   0.5367  408.233  122.631  271.778  117.390 136.4549 169.7613 
1 1 1   -3   23   13 o  852.365   66.673   3.4964   0.5188   3.3017   0.7379   3.6867   0.7294  805.381  101.849  857.426   93.993 -52.04510 138.5931 
1 1 1   -3   23   14 f  801.056   74.779   3.1245   0.5448   2.6892   0.7584   3.5889   0.7832  713.360  119.780  838.765  103.688 -125.4053 158.4248 
1 1 1   -3   23   15 o  506.452  105.234   1.3412   0.4744   0.7273   0.6742   1.9433   0.6677  380.680  142.580  598.772  125.210 -218.0917 189.7536 
1 1 1   -3   23   16 o  563.850  118.245   1.7190   0.5939   1.8972   1.1657   1.6565   0.6902  533.527  189.329  538.565  138.496 -5.037842 234.5772 
1 1 1   -3   23   17 o  610.730  125.621   2.0840   0.6824   1.3035   1.3447   2.3546   0.7919  454.671  190.675  637.781  138.880 -183.1099 235.8915 
1 1 1   -3   23   18 o  296.153  132.093   0.1029   0.7310  -0.1038   0.8849   0.5471   1.2970  299.897  138.236  380.797  172.374 -80.90002 220.9572 
1 1 1   -3   23   19 o  452.799  126.744   1.2510   0.5490   2.4553   0.8867   0.5024   0.6990  600.748  158.210  325.778  137.093 274.9698 209.3438 
1 1 1   -3   23   20 o  370.470  132.041   0.8929   0.5676   0.4510   0.7982   1.3448   0.8072  317.219  139.941  421.612  156.385 -104.3929 209.8571 
1 1 1   -3   25    1 o  388.101  118.210   0.8485   0.4601   0.9085   0.5516   0.7114   0.8344  396.146  130.517  372.577  152.642 23.56897 200.8341 
1 1 1   -3   25    2 o  240.744  104.719   0.0524   0.4332   0.1207   0.4984  -0.1584   0.8759  262.891  113.335  297.658  137.320 -34.76651 178.0491 
1 1 1   -3   25    3 o  297.929  106.604   0.4424   0.3703   0.4668   0.5096   0.4151   0.5391  315.527  122.527  310.475  124.318 5.051971 174.5505 
1 1 1   -3   25    4 o  856.193   64.414   3.5713   0.5038   3.8923   0.7071   3.2404   0.7179  872.450   89.334  784.032  101.921 88.41736 135.5304 
1 1 1   -3   25    5 o  469.999   97.523   1.1703   0.4079   0.9514   0.5436   1.4526   0.6172  406.740  129.222  499.155  132.253 -92.41415 184.9026 
1 1 1   -3   25    6 o  447.288  101.196   1.0704   0.4068   1.4144   0.5536   0.6666   0.5997  501.783  121.246  356.434  134.283 145.3494 180.9209 
1 1 1   -3   25    7 o  654.883   74.950   2.1293   0.4435   1.7551   0.5993   2.5824   0.6595  563.633  119.264  698.274  105.975 -134.6419 159.5456 
1 1 1   -3   25    8 o  285.740  102.889   0.3875   0.3455   0.4753   0.4390   0.2448   0.5599  313.638  115.520  292.897  122.943 20.74075 168.7002 
1 1 1   -3   25    9 o  224.288   95.048   0.0737   0.3398  -0.1129   0.4373   0.3582   0.5399  224.253  100.929  307.386  123.943 -83.13254 159.8388 
1 1 1   -3   25   10 o  139.168   68.728  -0.6637   0.3200  -0.8393   0.4201  -0.4208   0.4940  159.943   78.942  209.845   98.864 -49.90265 126.5145 
1 1 1   -3   25   11 o  344.657  114.058   0.6119   0.4211   1.8570   0.6248  -0.4241   0.5700  588.159  119.527  228.931  107.329 359.2271 160.6435 
1 1 1   -3   25   12 o  273.678  106.762   0.2843   0.3882   1.2357   0.5535  -0.6368   0.5446  474.664  125.006  207.020   99.286 267.6437 159.6376 
1 1 1   -3   25   13 o  568.635   95.121   1.6543   0.4801   1.9038   0.7239   1.4582   0.6416  581.216  137.497  508.747  134.866 72.46979 192.5989 
1 1 1   -3   25   14 o  332.174  118.496   0.5533   0.4572   0.4170   0.6587   0.6799   0.6351  331.180  135.645  366.401  138.158 -35.22076 193.6156 
1 1 1   -3   25   15 o  290.799  122.826   0.2298   0.5645   0.7408   1.2788   0.1061   0.6291  407.462  178.516  286.702  125.418 120.7606 218.1687 
1 1 1   -3   25   16 o  192.630   92.069  -0.4784   0.4596  -0.1691   0.6648  -0.7617   0.6362  262.629  120.598  215.276  104.251 47.35326 159.4121 
1 1 1   -3   25   17 o  272.559  117.051   0.2004   0.5277  -0.3814   0.7266   0.8498   0.7676  252.410  119.216  374.844  148.917 -122.4343 190.7583 
1 1 1   -3   25   18 o  298.333  133.355   0.2579   0.7494   0.0240   0.9073   0.7600   1.3293  295.626  137.544  365.289  168.746 -69.66318 217.7005 
1 1 1   -3   25   19 o  446.202  134.595   1.3583   0.5987   2.2008   0.8776   0.6248   0.8188  526.098  163.771  327.638  143.212 198.4594 217.5561 
1 1 1   -3   27    1 o  311.171  115.471   0.4776   0.4402   1.0347   0.6286  -0.0584   0.6166  417.519  139.411  265.344  119.594 152.1747 183.6791 
1 1 1   -3   27    2 o  190.341   89.899  -0.3623   0.4131  -0.5043   0.5450  -0.1704   0.6334  212.805  101.307  258.521  118.345 -45.71603 155.7839 
1 1 1   -3   27    3 o  503.349  104.246   1.3598   0.4669   1.0704   0.6171   1.7474   0.7142  426.134  137.917  540.865  141.779 -114.7316 197.7938 
1 1 1   -3   27    4 o  323.201  115.950   0.5321   0.4384   0.8867   0.6034   0.1359   0.6378  394.398  136.495  290.439  126.691 103.9588 186.2297 
1 1 1   -3   27    5 o  432.023  110.035   1.0173   0.4386   1.1231   0.5846   0.8809   0.6635  441.032  132.991  395.061  142.548 45.97110 194.9528 
1 1 1   -3   27    6 o  207.222   93.972  -0.1393   0.3875   0.3260   0.5058  -0.8005   0.6030  296.435  119.807  208.532  101.108 87.90237 156.7690 
1 1 1   -3   27    7 o  475.173  101.412   1.1887   0.4299   0.7934   0.5430   1.8527   0.7037  381.826  129.561  570.504  135.982 -188.6783 187.8226 
1 1 1   -3   27    8 o  420.292  107.181   0.9438   0.4158   0.3579   0.5086   2.1247   0.7220  303.646  121.033  617.876  131.057 -314.2307 178.3954 
1 1 1   -3   27    9 o  900.975   69.243   3.9416   0.5697   3.7302   0.7611   4.2108   0.8590  854.017   98.667  901.543  105.548 -47.52582 144.4840 
1 1 1   -3   27   10 o  1008.98   65.824   4.9162   0.6078   5.1597   0.8178   4.6158   0.9084  1014.92   88.455  942.742  106.585 72.17572 138.5085 
1 1 1   -3   27   11 o  828.560   74.766   3.3741   0.5639   3.1457   0.7623   3.6501   0.8380  772.147  110.429  830.420  112.573 -58.27258 157.6935 
1 1 1   -3   27   12 o  432.096  116.194   1.0294   0.4720   0.5370   0.6411   1.6121   0.6975  342.829  136.128  523.649  141.431 -180.8208 196.2996 
1 1 1   -3   27   13 o  397.534  119.133   0.8864   0.4702   1.7192   0.6955   0.1855   0.6380  538.448  139.306  295.073  127.720 243.3753 188.9938 
1 1 1   -3   27   14 o  240.401  109.208  -0.1110   0.5263  -0.7299   1.1064   0.0699   0.5983  291.483  140.238  272.552  120.647 18.93118 184.9934 
1 1 1   -3   27   15 o  166.714   82.278  -0.8292   0.4561  -1.6307   0.6243   0.0881   0.6679  171.383   86.314  280.298  125.551 -108.9157 152.3591 
1 1 1   -3   27   16 o  295.052  124.250   0.3814   0.5748   1.7633   0.9902  -0.3211   0.7060  462.977  172.914  247.444  117.068 215.5326 208.8167 
1 1 1   -3   27   17 o  273.269  125.791   0.0772   0.7293  -0.5874   0.8582   1.8045   1.3836  247.611  120.186  411.154  182.665 -163.5429 218.6574 
1 1 1   -3   27   18 o  292.926  139.271   0.1168   1.0235  -0.8920   1.4875   1.0237   1.4104  283.926  141.555  349.315  165.325 -65.38858 217.6469 
1 1 1   -3   29    1 o  364.659  126.206   0.7197   0.5159   0.9055   0.6976   0.4954   0.7664  400.082  145.883  348.763  144.917 51.31866 205.6276 
1 1 1   -3   29    2 o  272.910  115.197   0.1787   0.4960  -0.0081   0.6436   0.4519   0.7784  277.939  123.959  345.292  144.953 -67.35275 190.7282 
1 1 1   -3   29    3 o  511.948  114.585   1.4292   0.5263   1.4637   0.7132   1.3878   0.7800  494.893  146.367  476.214  155.117 18.67932 213.2708 
1 1 1   -3   29    4 o  508.774  107.295   1.3849   0.4865   1.0699   0.6052   1.9601   0.8179  431.064  136.277  568.993  152.925 -137.9286 204.8349 
1 1 1   -3   29    5 o  633.977   92.141   2.0578   0.5218   1.0025   0.6510   3.9542   0.8726  417.609  141.857  862.296  112.675 -444.6874 181.1601 
1 1 1   -3   29    6 o  620.746   95.034   1.9865   0.5255   2.6659   0.7151   1.1887   0.7750  705.141  114.111  445.322  154.651 259.8191 192.1934 
1 1 1   -3   29    7 o  975.840   70.470   4.6544   0.6285   5.9243   0.8882   3.3809   0.8895  1082.08   90.027  780.897  128.241 301.1791 156.6860 
1 1 1   -3   29    8 o  202.797   93.948  -0.2496   0.4163  -0.0661   0.5409  -0.5165   0.6523  251.884  112.893  236.909  112.213 14.97498 159.1747 
1 1 1   -3   29    9 o  179.018   86.660  -0.6002   0.4385  -0.9704   0.5458   0.0741   0.7366  184.620   90.903  299.010  133.039 -114.3899 161.1299 
1 1 1   -3   29   10 o  235.291  103.613   0.0057   0.4357  -0.2810   0.5480   0.4984   0.7184  230.880  107.244  339.681  140.652 -108.8015 176.8735 
1 1 1   -3   29   11 o  259.598  109.527   0.1777   0.4481   0.5484   0.5652  -0.4488   0.7349  330.319  128.832  252.992  119.617 77.32672 175.8007 
1 1 1   -3   29   12 o  515.892  113.910   1.5129   0.5263   2.3748   0.7525   0.6878   0.7363  627.937  134.302  354.611  144.116 273.3269 196.9936 
1 1 1   -3   29   13 o  320.678  134.793   0.4941   0.6745   0.8097   1.3211   0.3828   0.7845  376.324  171.754  317.408  139.422 58.91653 221.2194 
1 1 1   -3   29   14 o  368.034  128.596   0.8708   0.5362   0.8222   0.7003   0.9396   0.8337  354.704  141.811  367.827  151.851 -13.12259 207.7718 
1 1 1   -3   29   15 o  297.163  126.076   0.4639   0.5990   0.8605   0.9395   0.1923   0.7775  346.530  152.387  284.299  130.502 62.23105 200.6308 
1 1 1   -3   29   16 o  230.186  112.166  -0.5643   0.7677   0.3744   0.8835  -3.4567   1.5509  297.170  137.381  234.791  119.983 62.37839 182.3993 
1 1 1   -3   31    1 o  232.028  108.574  -0.3432   0.5785  -0.6826   0.6441   1.0744   1.3161  222.130  106.904  424.255  183.536 -202.1250 212.4005 
1 1 1   -3   31    2 o  903.172   94.268   4.2301   0.7719   4.4454   0.8973   3.6173   1.5138  908.910  109.490  662.625  216.117 246.2851 242.2703 
1 1 1   -3   31    3 o  716.913   95.423   2.6841   0.6138   2.3880   0.7921   3.1295   0.9713  634.589  139.452  713.804  152.511 -79.21490 206.6556 
1 1 1   -3   31    4 o  455.405  127.441   1.2105   0.5551   0.8507   0.7229   1.7276   0.8665  384.594  146.820  510.214  163.253 -125.6202 219.5629 
1 1 1   -3   31    5 o  403.007  127.875   0.9486   0.5325   0.9487   0.6974   0.9484   0.8246  397.792  145.744  398.203  155.521 -0.4106750 213.1389 
1 1 1   -3   31    6 o  273.181  116.086   0.2015   0.5092  -0.2125   0.6383   0.9262   0.8444  252.944  116.879  393.538  156.240 -140.5945 195.1197 
1 1 1   -3   31    7 o  415.678  131.968   1.0434   0.5671   1.7890   0.7377  -0.0336   0.8866  531.809  146.210  302.415  139.018 229.3939 201.7504 
1 1 1   -3   31    8 o  1166.06   68.650   6.7478   0.7333   6.0871   0.9462   7.7419   1.1606  1069.30   97.224  1189.59  107.177 -120.2946 144.7045 
1 1 1   -3   31    9 o  298.644  118.229   0.4346   0.4823   0.7183   0.6075  -0.0489   0.7931  350.059  134.364  283.582  130.771 66.47754 187.4965 
1 1 1   -3   31   10 o  228.533  103.314  -0.0420   0.4642  -0.4485   0.5503   0.9607   0.8643  211.002  100.819  377.111  155.023 -166.1091 184.9230 
1 1 1   -3   31   11 o  376.361  143.645   0.9859   0.6918   1.0968   1.4326   0.9522   0.7901  376.738  174.437  368.354  149.436 8.383209 229.6941 
1 1 1   -3   31   12 o  326.568  141.052   0.6623   0.7749   0.3276   1.2795   0.8562   0.9737  322.002  153.823  346.728  153.678 -24.72601 217.4361 
1 1 1   -3   31   13 o  574.376  127.548   2.1916   0.6566   2.2315   0.8483   2.1320   1.0370  515.182  161.117  453.599  175.169 61.58197 237.9977 
1 1 1   -3   31   14 o  317.534  143.216   0.7469   0.8860   0.7469   0.8860   0.0000   0.0000  317.534  143.216  ?   ?  0.000000 143.2156 
1 1 1   -3   33    1 o  265.941  117.762   0.1270   0.5705   0.7355   0.7408  -0.7598   0.8943  350.981  143.815  251.859  122.349 99.12228 188.8171 
1 1 1   -3   33    2 o  288.482  123.414   0.3115   0.5826   0.2192   0.7445   0.4574   0.9356  296.333  132.658  332.216  148.719 -35.88315 199.2877 
1 1 1   -3   33    3 o  400.074  135.402   1.0436   0.5931   1.2059   0.7457   0.7641   0.9783  413.506  150.822  358.680  156.668 54.82599 217.4675 
1 1 1   -3   33    4 o  388.981  133.406   0.9835   0.5758   0.7161   0.7051   1.5187   0.9975  344.655  140.658  431.700  170.313 -87.04517 220.8873 
1 1 1   -3   33    5 o  163.244   82.233  -1.4571   0.5684  -1.2625   0.6304  -2.3016   1.3134  183.293   91.506  247.980  124.930 -64.68625 154.8574 
1 1 1   -3   33    6 o  597.639  138.071   2.3458   0.7440   2.7386   0.8520   1.0838   1.5270  630.730  149.144  374.831  175.713 255.8993 230.4760 
1 1 1   -3   33    7 o  263.908  120.456   0.0742   0.6499   0.2868   0.7240  -0.8082   1.4750  290.598  130.404  294.535  145.838 -3.936829 195.6373 
1 1 1   -3   33    8 o  544.060  134.762   2.0038   0.6712   2.5764   0.7938   0.5689   1.2567  605.321  144.519  330.681  156.370 274.6402 212.9252 
1 1 1   -3   33    9 o  264.953  118.040   0.2409   0.5819   0.1368   0.6704   0.5589   1.1718  264.042  121.195  319.293  150.988 -55.25165 193.6116 
1 1 1   -3   33   10 o  274.552  129.439   0.1472   0.8495  -0.2612   1.5928   0.3096   1.0042  294.288  146.683  292.606  138.779 1.681824 201.9291 
1 1 1   -3   33   11 o  164.736   82.514  -1.0505   0.5323  -1.2659   0.6713  -0.6858   0.8737  181.569   91.186  230.374  113.731 -48.80527 145.7723 
1 1 1   -3   35    1 o  369.675  141.659   1.1272   0.6745   0.9527   0.8842   1.3701   1.0433  335.098  147.583  362.968  160.060 -27.86972 217.7152 
1 1 1   -3   35    2 o  388.682  142.145   1.2442   0.6630   2.1481   0.8944   0.1417   0.9878  471.717  166.003  281.323  134.600 190.3933 213.7152 
1 1 1   -3   35    3 f  292.630  128.369   0.5245   0.6631   0.5482   0.7508   0.4407   1.4140  297.231  133.127  306.892  150.121 -9.660797 200.6470 
1 1 1   -3   35    4 o  207.104  101.165  -0.5475   0.6354  -0.5675   0.7252  -0.4817   1.3181  218.857  107.153  271.398  134.974 -52.54108 172.3360 
1 1 1   -3   35    5 o  324.864  132.846   0.8349   0.6305   0.6983   0.8120   1.0424   1.0008  305.828  137.597  329.337  149.990 -23.50912 203.5435 
1 1 1   -3   35    6 o  540.150  151.270   2.4550   0.7818   2.2068   0.9018   3.2051   1.5680  456.192  165.944  406.594  186.154 49.59836 249.3806 
1 1 1   -3   35    7 o  334.507  136.733   0.9920   0.6676   1.7394   0.8736  -0.0576   1.0352  395.478  158.290  262.015  128.228 133.4627 203.7106 
1 1 1   -3   35    8 o  386.784  167.105   2.1222   1.0881   0.7607   1.7756   2.9410   1.3770  296.316  148.741  399.177  179.430 -102.8614 233.0646 
1 1 1   -3   37    1 o  336.875  166.329   3.7095   1.8707   0.0000   0.0000   3.7095   1.8707  ?   ?   336.875  166.329 0.000000 166.3291 
1 1 1   -3   37    2 o  237.886  121.812  -1.5684   1.6765   0.0000   0.0000  -1.5684   1.6765  ?   ?   237.886  121.812 0.000000 121.8117 
1 1 1   -2    0    2 o  6287.73   22.687  181.951   1.3126  181.951   1.3126  181.951   1.3126  6287.73   22.687  6287.73   22.687 0.000000 0.000000 
1 1 1   -2    0    3 o  559.479   29.263   1.4526   0.1497   1.4526   0.1497   1.4526   0.1497  559.479   29.263  559.479   29.263 0.000000 0.000000 
1 1 1   -2    0    4 o  350.493   38.828   0.5862   0.1213   0.5862   0.1213   0.5862   0.1213  350.493   38.828  350.493   38.828 0.000000 0.000000 
1 1 1   -2    0    5 o  2143.76   29.381   21.168   0.5793   21.168   0.5793   21.168   0.5793  2143.76   29.381  2143.76   29.381 0.000000 0.000000 
1 1 1   -2    0    6 o  1688.66   31.652   13.144   0.4914   13.144   0.4914   13.144   0.4914  1688.66   31.652  1688.66   31.652 0.000000 0.000000 
1 1 1   -2    0    7 o  3954.23   31.740   72.011   1.1547   72.011   1.1547   72.011   1.1547  3954.23   31.740  3954.23   31.740 0.000000 0.000000 
1 1 1   -2    0    8 o  1364.68   35.692   8.5936   0.4475   8.5936   0.4475   8.5936   0.4475  1364.68   35.692  1364.68   35.692 0.000000 0.000000 
1 1 1   -2    0    9 o  2308.62   35.570   24.557   0.7552   24.557   0.7552   24.557   0.7552  2308.62   35.570  2308.62   35.570 0.000000 0.000000 
1 1 1   -2    0   10 o  818.768   62.617   3.1459   0.4654   3.1459   0.4654   3.1459   0.4654  818.768   62.617  818.768   62.617 0.000000 0.000000 
1 1 1   -2    0   11 o  746.721   50.622   2.6068   0.3442   2.6068   0.3442   2.6068   0.3442  746.721   50.622  746.721   50.622 0.000000 0.000000 
1 1 1   -2    0   12 o  433.044  123.866   1.0654   0.4278   1.0654   0.4278   1.0654   0.4278  433.044  123.866  433.044  123.866 0.000000 0.000000 
1 1 1   -2    0   13 f  809.822   53.998   3.0779   0.3983   3.0779   0.3983   3.0779   0.3983  809.822   53.998  809.822   53.998 0.000000 0.000000 
1 1 1   -2    0   14 o  165.612  100.282   0.1306   0.2820   0.1306   0.2820   0.1306   0.2820  165.612  100.282  165.612  100.282 0.000000 0.000000 
1 1 1   -2    0   15 o  534.365   79.286   1.4267   0.3646   1.4267   0.3646   1.4267   0.3646  534.365   79.286  534.365   79.286 0.000000 0.000000 
1 1 1   -2    0   16 o  1521.78   49.311   10.807   0.6889   10.807   0.6889   10.807   0.6889  1521.78   49.311  1521.78   49.311 0.000000 0.000000 
1 1 1   -2    0   17 f  1270.38   53.924   7.5670   0.6278   7.5670   0.6278   7.5670   0.6278  1270.38   53.924  1270.38   53.924 0.000000 0.000000 
1 1 1   -2    0   18 o  161.156  104.419   0.0129   0.3666   0.0129   0.3666   0.0129   0.3666  161.156  104.419  161.156  104.419 0.000000 0.000000 
1 1 1   -2    0   19 o  280.501  135.693   0.5723   0.4081   0.5723   0.4081   0.5723   0.4081  280.501  135.693  280.501  135.693 0.000000 0.000000 
1 1 1   -2    0   20 o  109.077   78.316  -0.6027   0.3761  -0.6027   0.3761  -0.6027   0.3761  109.077   78.316  109.077   78.316 0.000000 0.000000 
1 1 1   -2    0   21 o  181.636  120.471  -0.0919   0.5324  -0.0919   0.5324  -0.0919   0.5324  181.636  120.471  181.636  120.471 0.000000 0.000000 
1 1 1   -2    0   22 o  178.645  114.432   0.0531   0.4242   0.0531   0.4242   0.0531   0.4242  178.645  114.432  178.645  114.432 0.000000 0.000000 
1 1 1   -2    0   23 o  261.149  154.228   0.4476   0.6359   0.4476   0.6359   0.4476   0.6359  261.149  154.228  261.149  154.228 0.000000 0.000000 
1 1 1   -2    0   24 o  205.047  128.763   0.1726   0.5070   0.1726   0.5070   0.1726   0.5070  205.047  128.763  205.047  128.763 0.000000 0.000000 
1 1 1   -2    0   25 o  256.549  148.435   0.4995   0.5693   0.4995   0.5693   0.4995   0.5693  256.549  148.435  256.549  148.435 0.000000 0.000000 
1 1 1   -2    0   26 o  132.456   94.807  -0.7043   0.5336  -0.7043   0.5336  -0.7043   0.5336  132.456   94.807  132.456   94.807 0.000000 0.000000 
1 1 1   -2    2    1 o  191.013   50.021   0.1744   0.0890   0.1040   0.1033   0.3761   0.1749  160.465   56.430  279.723   68.485 -119.2587 88.73856 
1 1 1   -2    2    2 o  938.511   20.579   4.0542   0.1777   4.0566   0.2526   4.0518   0.2500  938.588   29.253  938.034   28.967 0.5537109 41.16818 
1 1 1   -2    2    3 o  960.019   22.150   4.2425   0.1957   4.3449   0.2799   4.1447   0.2737  971.274   31.315  948.635   31.351 22.63879 44.31129 
1 1 1   -2    2    4 o  2927.76   22.541   39.460   0.6073   40.211   0.8739   38.760   0.8445  2954.56   32.145  2900.82   31.637 53.74194 45.10183 
1 1 1   -2    2    5 o  174.176   48.460   0.1441   0.0805   0.1683   0.1119   0.1180   0.1159  190.741   58.340  170.360   59.767 20.38141 83.52019 
1 1 1   -2    2    6 o  1687.79   22.515   13.116   0.3497   12.605   0.4859   13.666   0.5036  1653.89   31.927  1722.10   31.780 -68.21301 45.04783 
1 1 1   -2    2    7 o  1579.77   23.742   11.492   0.3451   11.711   0.4931   11.282   0.4832  1594.05   33.619  1564.54   33.563 29.50500 47.50475 
1 1 1   -2    2    8 o  1673.32   24.990   12.893   0.3848   12.510   0.5387   13.292   0.5497  1647.56   35.537  1698.33   35.177 -50.77063 50.00249 
1 1 1   -2    2    9 o  3071.74   24.757   43.442   0.6998   43.674   0.9957   43.217   0.9836  3078.79   35.147  3062.67   34.904 16.11670 49.53346 
1 1 1   -2    2   10 f  1577.25   38.428   11.468   0.5577   11.338   0.7873   11.598   0.7902  1566.78   54.609  1584.71   54.188 -17.92834 76.93170 
1 1 1   -2    2   11 o  673.864   36.862   2.1009   0.2277   2.0117   0.3206   2.1917   0.3234  657.294   53.475  686.523   51.575 -29.22882 74.29406 
1 1 1   -2    2   12 o  292.450   86.331   0.4096   0.2483   0.2459   0.3439   0.5880   0.3590  266.597  101.384  348.852  103.998 -82.25543 145.2384 
1 1 1   -2    2   13 o  560.207   45.876   1.4673   0.2344   1.6706   0.3418   1.2868   0.3221  593.896   63.531  518.907   69.179 74.98871 93.92547 
1 1 1   -2    2   14 o  311.513   77.175   0.4803   0.2201   0.7239   0.3225   0.2680   0.3011  379.556   93.056  258.656   95.595 120.9002 133.4089 
1 1 1   -2    2   15 o  346.709   70.873   0.5930   0.2185   0.6325   0.3176   0.5576   0.3010  352.643   95.507  332.180   94.168 20.46332 134.1239 
1 1 1   -2    2   16 o  1216.40   37.179   6.8882   0.4161   7.7445   0.6053   6.1204   0.5731  1283.04   51.266  1138.87   54.686 144.1638 74.95860 
1 1 1   -2    2   17 o  950.788   41.549   4.2221   0.3635   4.4202   0.5153   4.0259   0.5128  964.280   58.355  918.745   61.008 45.53510 84.42308 
1 1 1   -2    2   18 o  196.689   81.213   0.0732   0.2385  -0.4820   0.3291   0.6877   0.3462  156.383   75.549  364.975  100.093 -208.5916 125.4050 
1 1 1   -2    2   19 o  175.413   78.465  -0.0886   0.2599  -0.0371   0.3750  -0.1361   0.3606  220.247   96.576  202.883   91.450 17.36443 133.0044 
1 1 1   -2    2   20 o  501.521   72.495   1.2218   0.3248   1.4401   0.4898   1.0503   0.4341  532.135  103.750  451.990  106.170 80.14487 148.4457 
1 1 1   -2    2   21 o  262.156  109.488   0.1211   0.4407  -0.1524   0.6336   0.3774   0.6133  273.204  122.335  332.391  132.778 -59.18695 180.5432 
1 1 1   -2    2   22 o  797.115   55.508   2.9990   0.4046   3.2442   0.5820   2.7698   0.5628  819.365   78.147  754.555   82.399 64.80933 113.5628 
1 1 1   -2    2   23 o  458.158  121.520   1.1184   0.5207   2.4021   0.8102   0.2150   0.6797  665.847  136.807  317.547  134.486 348.3009 191.8401 
1 1 1   -2    2   24 o  500.664   91.817   1.2807   0.4074   0.7828   0.5506   1.8831   0.6057  382.634  130.458  594.612  114.855 -211.9784 173.8130 
1 1 1   -2    2   25 o  288.700  111.661   0.3670   0.4219   0.3742   0.5902   0.3595   0.6032  311.090  128.020  310.732  128.795 0.3578796 181.5966 
1 1 1   -2    2   26 o  249.772  109.872   0.0639   0.4887  -0.1272   0.7434   0.2094   0.6486  274.259  126.519  291.461  127.430 -17.20126 179.5702 
1 1 1   -2    4    1 o  1635.04   23.834   12.307   0.3586   12.218   0.5072   12.396   0.5071  1628.63   33.842  1640.44   33.592 -11.80457 47.68330 
1 1 1   -2    4    2 o  877.615   26.020   3.5462   0.2101   3.6117   0.2997   3.4829   0.2946  885.356   36.792  869.422   36.830 15.93445 52.05844 
1 1 1   -2    4    3 o  763.088   28.740   2.6817   0.2018   2.8068   0.2876   2.5603   0.2832  779.298   40.247  744.080   41.531 35.21863 57.83294 
1 1 1   -2    4    4 o  1832.63   24.073   15.464   0.4060   15.124   0.5703   15.812   0.5780  1811.73   34.208  1852.48   33.908 -40.75537 48.16631 
1 1 1   -2    4    5 o  969.265   27.279   4.3271   0.2433   4.3655   0.3578   4.2941   0.3319  972.936   39.961  965.092   37.369 7.843994 54.71182 
1 1 1   -2    4    6 o  1410.33   26.784   9.1618   0.3476   9.5575   0.4990   8.7890   0.4844  1439.65   37.671  1380.51   38.134 59.13452 53.60374 
1 1 1   -2    4    7 o  531.009   33.333   1.3046   0.1620   1.2463   0.2169   1.3782   0.2438  517.617   46.013  544.118   49.232 -26.50171 67.38637 
1 1 1   -2    4    8 o  1599.15   25.026   11.775   0.3683   11.684   0.5233   11.864   0.5183  1592.34   35.718  1604.56   35.102 -12.21790 50.07915 
1 1 1   -2    4    9 o  499.052   39.697   1.1552   0.1808   1.0525   0.2389   1.2930   0.2766  474.179   55.812  525.906   58.132 -51.72754 80.58749 
1 1 1   -2    4   10 o  1125.59   33.484   5.8383   0.3468   5.7170   0.4810   5.9695   0.5005  1112.98   46.971  1137.23   47.824 -24.24707 67.03307 
1 1 1   -2    4   11 o  1425.10   29.328   9.3619   0.3846   9.9469   0.5540   8.8177   0.5343  1467.61   41.024  1381.66   42.027 85.94385 58.73013 
1 1 1   -2    4   12 o  522.227   63.180   1.2904   0.2974   1.3492   0.4250   1.2340   0.4164  526.882   90.939  502.657   93.473 24.22540 130.4113 
1 1 1   -2    4   13 o  1232.05   32.782   7.0210   0.3716   7.1058   0.5277   6.9377   0.5235  1236.18   46.396  1221.42   46.575 14.76367 65.74052 
1 1 1   -2    4   14 o  646.073   44.496   1.9539   0.2629   2.2233   0.3808   1.7086   0.3634  684.385   61.111  597.250   67.304 87.13519 90.90877 
1 1 1   -2    4   15 f  1127.99   36.090   5.9141   0.3746   6.1077   0.5401   5.7347   0.5200  1140.32   51.476  1105.11   51.132 35.21021 72.55521 
1 1 1   -2    4   16 o  667.944   47.193   2.1024   0.2882   2.7953   0.4385   1.5755   0.3824  764.023   62.932  567.185   75.113 196.8378 97.99245 
1 1 1   -2    4   17 o  1112.58   41.890   5.7831   0.4289   6.6564   0.6708   5.1793   0.5577  1181.57   61.909  1044.01   58.291 137.5663 85.03241 
1 1 1   -2    4   18 o  431.693   74.123   0.9192   0.2838   0.4678   0.3904   1.4255   0.4134  313.244  109.707  533.985   87.142 -220.7413 140.1050 
1 1 1   -2    4   19 o  447.367   74.042   0.9828   0.2941   1.0830   0.4246   0.8903   0.4078  458.309  103.172  413.970  106.466 44.33893 148.2548 
1 1 1   -2    4   20 o  1033.15   53.017   5.0195   0.5023   5.2671   0.7356   4.8032   0.6876  1046.07   76.964  999.668   75.300 46.40436 107.6738 
1 1 1   -2    4   21 o  401.379  103.226   0.8218   0.3834   0.5787   0.5128   1.1298   0.5773  352.150  125.512  462.642  130.141 -110.4925 180.8039 
1 1 1   -2    4   22 o  561.705   73.553   1.5294   0.3710   1.1939   0.5196   1.8784   0.5299  477.385  118.777  612.788   97.231 -135.4021 153.4988 
1 1 1   -2    4   23 o  314.400  124.015   0.3739   0.5288   0.6226   0.7575   0.1375   0.7386  377.413  148.569  317.731  137.471 59.68237 202.4133 
1 1 1   -2    4   24 o  688.706   69.271   2.3110   0.4330   2.2430   0.5986   2.3856   0.6272  657.976  102.187  677.662  103.895 -19.68652 145.7267 
1 1 1   -2    4   25 o  235.482  100.529   0.0930   0.3851   0.4201   0.5618  -0.1970   0.5289  312.976  126.345  233.912  107.469 79.06412 165.8692 
1 1 1   -2    4   26 o  390.929  179.870   0.7999   1.4889   0.7999   1.4889   0.0000   0.0000  390.929  179.870  ?   ?  0.000000 179.8704 
1 1 1   -2    6    1 o  884.059   26.928   3.5990   0.2191   3.2355   0.3016   4.0050   0.3187  837.812   39.118  932.214   37.155 -94.40204 53.95114 
1 1 1   -2    6    2 o  354.490   34.043   0.5843   0.1097   0.6682   0.1629   0.5149   0.1483  377.524   47.991  330.249   50.399 47.27548 69.59294 
1 1 1   -2    6    3 o  1108.53   28.428   5.6601   0.2900   5.4725   0.4080   5.8515   0.4122  1089.36   40.705  1126.52   39.764 -37.15283 56.90371 
1 1 1   -2    6    4 o  343.592   43.399   0.5533   0.1342   0.4309   0.1893   0.6767   0.1901  298.985   70.047  378.522   56.293 -79.53635 89.86378 
1 1 1   -2    6    5 o  1628.62   31.315   12.223   0.4693   11.979   0.6615   12.470   0.6659  1610.97   44.623  1643.71   44.027 -32.74231 62.68642 
1 1 1   -2    6    6 o  1085.02   32.430   5.4253   0.3238   5.1362   0.4818   5.6634   0.4372  1054.55   49.649  1107.89   42.890 -53.34070 65.60915 
1 1 1   -2    6    7 o  614.779   39.425   1.7496   0.2218   1.4123   0.3261   2.0403   0.3027  548.594   65.915  662.962   49.989 -114.3676 82.72680 
1 1 1   -2    6    8 o  501.330   40.819   1.1663   0.1867   1.0111   0.2518   1.3555   0.2781  463.934   60.424  538.769   56.958 -74.83545 83.03806 
1 1 1   -2    6    9 o  497.971   52.419   1.1575   0.2366   1.2523   0.3404   1.0689   0.3290  514.768   74.002  474.045   78.151 40.72241 107.6279 
1 1 1   -2    6   10 o  374.086   57.853   0.6626   0.1927   0.6392   0.2735   0.6857   0.2716  363.368   83.555  376.846   80.741 -13.47827 116.1915 
1 1 1   -2    6   11 o  2015.69   28.131   18.735   0.5218   17.914   0.7224   19.630   0.7544  1968.81   39.875  2061.00   39.780 -92.19385 56.32488 
1 1 1   -2    6   12 o  556.780   62.839   1.4675   0.3163   1.1525   0.4387   1.8084   0.4564  481.677  102.155  612.996   83.061 -131.3188 131.6618 
1 1 1   -2    6   13 o  276.689   76.878   0.3750   0.2028   0.2294   0.2790   0.5379   0.2952  245.449   91.761  329.246   93.213 -83.79774 130.8006 
1 1 1   -2    6   14 o  249.243   80.354   0.2940   0.2096   0.5370   0.3089   0.0866   0.2854  327.173   96.203  214.982   88.808 112.1909 130.9265 
1 1 1   -2    6   15 o  511.518   55.874   1.2486   0.2587   0.7462   0.3735   1.7121   0.3587  379.356  103.924  595.797   66.568 -216.4409 123.4157 
1 1 1   -2    6   16 o  170.581   75.430  -0.0530   0.2333  -0.2581   0.3314   0.1483   0.3283  178.377   83.040  236.558   96.200 -58.18102 127.0826 
1 1 1   -2    6   17 o  931.997   43.346   4.0629   0.3717   4.8293   0.5509   3.4223   0.5037  1007.13   59.712  844.397   65.334 162.7311 88.50985 
1 1 1   -2    6   18 o  321.100   86.165   0.5220   0.2599   0.4629   0.3915   0.5685   0.3475  312.269  109.834  334.211  102.899 -21.94208 150.5044 
1 1 1   -2    6   19 o  631.419   55.756   1.8923   0.3206   2.0048   0.4781   1.8004   0.4322  638.513   83.372  606.446   79.351 32.06671 115.0975 
1 1 1   -2    6   20 o  510.306   86.868   1.2893   0.3933   1.1439   0.5726   1.4191   0.5411  464.657  129.224  523.408  115.456 -58.75165 173.2886 
1 1 1   -2    6   21 o  497.757   89.893   1.2325   0.3966   1.7871   0.5874   0.7679   0.5376  591.155  112.081  389.738  128.872 201.4168 170.7929 
1 1 1   -2    6   22 o  671.488   67.646   2.1638   0.4123   2.3701   0.6067   1.9868   0.5620  688.008   98.659  627.974  100.651 60.03400 140.9404 
1 1 1   -2    6   23 o  734.400   71.832   2.6155   0.4792   2.1929   0.6760   3.0423   0.6794  644.803  118.289  776.942   97.162 -132.1396 153.0770 
1 1 1   -2    6   24 o  858.007   60.926   3.5427   0.4779   3.4532   0.6722   3.6341   0.6796  826.383   89.841  849.219   88.256 -22.83618 125.9391 
1 1 1   -2    6   25 o  173.385   82.845  -0.4057   0.3716  -0.3353   0.5338  -0.4718   0.5175  221.724  103.924  207.175   98.652 14.54886 143.2917 
1 1 1   -2    8    1 o  1198.72   32.236   6.6221   0.3556   6.4727   0.4398   6.9041   0.6041  1184.56   40.350  1222.18   53.721 -37.60999 67.18660 
1 1 1   -2    8    2 o  1246.77   28.569   7.1612   0.3277   7.1623   0.4636   7.1602   0.4634  1246.02   40.432  1245.84   40.427 0.1793213 57.17545 
1 1 1   -2    8    3 o  434.767   37.918   0.8783   0.1502   0.7515   0.2133   1.0032   0.2115  398.584   60.005  463.256   50.436 -64.67255 78.38610 
1 1 1   -2    8    4 o  1702.10   30.090   13.349   0.4713   12.993   0.6631   13.713   0.6699  1677.93   42.949  1723.84   42.232 -45.90918 60.23390 
1 1 1   -2    8    5 o  586.811   38.296   1.5946   0.2057   1.5781   0.2904   1.6113   0.2913  581.742   54.903  587.950   54.454 -6.208252 77.32767 
1 1 1   -2    8    6 o  529.013   43.818   1.2997   0.2114   1.4753   0.3158   1.1571   0.2845  561.428   62.167  496.125   63.806 65.30280 89.08399 
1 1 1   -2    8    7 o  807.483   39.727   3.0057   0.2952   3.0464   0.4314   2.9697   0.4048  809.977   58.268  800.035   55.326 9.942261 80.34945 
1 1 1   -2    8    8 o  4028.99   34.348   74.797   1.2734   76.737   1.8701   73.120   1.7388  4077.52   49.843  3980.84   47.468 96.67285 68.82926 
1 1 1   -2    8    9 o  1439.98   54.567   9.5864   0.7230   0.0000   0.0000   9.5864   0.7230  ?   ?   1439.98   54.567 0.000000 54.56704 
1 1 1   -2    8   10 o  1203.28   34.216   6.6807   0.3788   6.4639   0.5327   6.9024   0.5388  1181.82   48.989  1221.40   47.944 -39.57642 68.54639 
1 1 1   -2    8   11 o  172.034   74.255  -0.0180   0.2145  -0.0084   0.2596  -0.0387   0.3807  191.218   82.107  226.353   98.313 -35.13455 128.0898 
1 1 1   -2    8   12 f  793.499   50.873   2.9466   0.3695   3.1431   0.5262   2.7554   0.5189  813.301   71.028  759.623   75.231 53.67786 103.4635 
1 1 1   -2    8   13 o  668.508   47.641   2.0967   0.2911   2.0635   0.3929   2.1372   0.4336  657.448   65.826  666.950   71.786 -9.502258 97.39751 
1 1 1   -2    8   14 o  161.157   71.093  -0.0471   0.2060  -0.2905   0.3006   0.1684   0.2829  164.615   77.422  230.284   90.745 -65.66887 119.2841 
1 1 1   -2    8   15 o  689.919   47.029   2.2428   0.2968   2.0519   0.4163   2.4399   0.4232  650.181   70.731  712.187   65.300 -62.00568 96.26554 
1 1 1   -2    8   16 o  603.964   52.367   1.7321   0.2881   1.8084   0.4182   1.6631   0.3976  606.911   76.583  581.934   76.077 24.97699 107.9471 
1 1 1   -2    8   17 o  213.606   84.004   0.1457   0.2420   0.0095   0.3334   0.2972   0.3517  214.224   92.528  270.929  102.648 -56.70537 138.1957 
1 1 1   -2    8   18 o  473.740   69.265   1.0942   0.2930   1.0091   0.4156   1.1783   0.4132  440.564  104.165  480.200   96.848 -39.63565 142.2319 
1 1 1   -2    8   19 o  487.856   71.421   1.1583   0.3111   0.7040   0.4139   1.7486   0.4717  370.089  111.975  593.450   89.142 -223.3605 143.1245 
1 1 1   -2    8   20 o  985.451   55.311   4.5746   0.4995   4.0803   0.7149   5.0462   0.6983  915.570   85.856  1025.63   74.498 -110.0646 113.6709 
1 1 1   -2    8   21 o  470.536   94.163   1.1139   0.3935   0.8199   0.5526   1.4161   0.5604  399.585  130.589  520.570  119.507 -120.9856 177.0181 
1 1 1   -2    8   22 o  1092.85   58.084   5.6555   0.5820   6.1587   0.8415   5.1942   0.8058  1125.15   81.839  1030.13   85.789 95.02869 118.5642 
1 1 1   -2    8   23 o  501.817  101.312   1.3072   0.4517   0.1090   0.6183   2.6784   0.6615  290.799  125.800  722.540  102.352 -431.7412 162.1773 
1 1 1   -2    8   24 o  650.257   75.839   2.1033   0.4453   1.6501   0.6152   2.6019   0.6453  540.671  125.985  703.622  102.690 -162.9506 162.5350 
1 1 1   -2    8   25 o  306.240  110.408   0.4901   0.3979   1.1954   0.5869  -0.1103   0.5414  442.555  133.208  242.013  110.259 200.5413 172.9202 
1 1 1   -2   10    1 o  1834.69   29.822   15.510   0.5035   15.622   0.7177   15.401   0.7065  1839.93   42.391  1826.91   42.025 13.02051 59.69151 
1 1 1   -2   10    2 o  808.770   33.404   3.0149   0.2486   3.0137   0.3510   3.0162   0.3521  806.461   47.511  806.788   47.644 -0.3272705 67.28467 
1 1 1   -2   10    3 f  1006.08   32.210   4.6645   0.2982   4.2820   0.4151   5.0721   0.4286  963.095   46.844  1048.36   44.430 -85.26868 64.56324 
1 1 1   -2   10    4 o  631.370   37.244   1.8440   0.2154   1.7071   0.3013   1.9870   0.3081  605.421   54.683  653.942   51.614 -48.52136 75.19467 
1 1 1   -2   10    5 o  2778.39   31.652   35.561   0.8092   36.185   1.1645   34.979   1.1252  2800.77   45.187  2753.84   44.406 46.93018 63.35392 
1 1 1   -2   10    6 f  2550.46   32.968   29.968   0.7737   30.312   1.1072   29.641   1.0816  2563.23   46.942  2534.80   46.373 28.42993 65.98508 
1 1 1   -2   10    7 o  1981.88   35.251   18.102   0.6429   18.650   0.9314   17.603   0.8884  2009.90   50.360  1952.80   49.441 57.10120 70.57296 
1 1 1   -2   10    8 o  1086.73   47.866   5.4550   0.4787   5.3911   0.8919   5.4808   0.5673  1071.09   91.367  1086.96   56.914 -15.87219 107.6439 
1 1 1   -2   10    9 o  591.787   59.084   1.6410   0.3174   1.0266   0.5152   2.0169   0.4030  456.011  120.844  654.968   67.854 -198.9567 138.5911 
1 1 1   -2   10   10 o  920.209   45.525   3.9256   0.3855   3.5934   0.5390   4.2735   0.5515  873.970   67.546  954.801   63.132 -80.83075 92.45587 
1 1 1   -2   10   11 o  472.186   79.898   1.0844   0.3348   1.1719   0.4199   0.9318   0.5546  485.737   97.334  428.556  129.607 57.18066 162.0860 
1 1 1   -2   10   12 o  188.869   81.478  -0.0090   0.2579  -0.0792   0.3780   0.0521   0.3528  217.207   96.033  229.225   96.980 -12.01775 136.4828 
1 1 1   -2   10   13 o  786.309   47.231   2.9034   0.3402   3.1673   0.4801   2.6375   0.4820  814.382   64.599  739.542   71.730 74.84039 96.53103 
1 1 1   -2   10   14 o  949.292   44.443   4.2185   0.3882   4.3740   0.5465   4.0600   0.5516  956.878   62.406  919.988   65.588 36.89056 90.53362 
1 1 1   -2   10   15 o  590.028   61.423   1.6740   0.3286   2.0234   0.4817   1.3699   0.4494  638.023   84.104  516.273   98.178 121.7502 129.2760 
1 1 1   -2   10   16 o  197.842   85.439   0.0031   0.2842   0.0661   0.4015  -0.0603   0.4024  240.663  102.690  223.430   98.922 17.23309 142.5863 
1 1 1   -2   10   17 o  286.613   90.609   0.4062   0.2675   0.0277   0.4159   0.6734   0.3494  239.108  103.309  360.437  101.203 -121.3292 144.6191 
1 1 1   -2   10   18 o  227.686   90.632   0.1555   0.2848   0.7185   0.4811  -0.1483   0.3534  373.093  121.845  198.892   90.010 174.2008 151.4864 
1 1 1   -2   10   19 o  354.916  105.140   0.6405   0.3678   0.1814   0.6011   0.9152   0.4649  301.970  127.104  418.662  116.451 -116.6919 172.3837 
1 1 1   -2   10   20 o  417.854   89.717   0.8767   0.3347   0.8499   0.5064   0.8974   0.4459  404.800  124.140  416.152  113.369 -11.35150 168.1164 
1 1 1   -2   10   21 o  342.683  113.094   0.5827   0.4141   1.0742   0.6145   0.1737   0.5605  447.325  136.678  292.993  122.999 154.3320 183.8747 
1 1 1   -2   10   22 o  279.810  107.835   0.3044   0.3924   1.0348   0.6062  -0.2223   0.5147  435.265  136.212  235.056  107.252 200.2095 173.3685 
1 1 1   -2   10   23 o  323.216  116.821   0.5121   0.4459   0.2453   0.6312   0.7778   0.6300  306.029  129.608  381.958  138.731 -75.92880 189.8539 
1 1 1   -2   10   24 o  611.188   81.973   1.9004   0.4494   2.1253   0.6442   1.6874   0.6272  617.833  117.618  539.509  128.224 78.32434 173.9984 
1 1 1   -2   10   25 o  423.297  122.224   1.0712   0.5026   1.7696   0.7139   0.3845   0.7079  524.582  143.666  314.572  135.344 210.0103 197.3782 
1 1 1   -2   12    1 f  1045.36   34.415   5.0357   0.3310   4.6975   0.4586   5.4037   0.4784  1008.80   49.401  1082.07   48.044 -73.27240 68.91057 
1 1 1   -2   12    2 o  811.215   36.523   3.0330   0.2726   3.2815   0.3913   2.7985   0.3801  841.599   50.765  776.622   53.511 64.97766 73.76008 
1 1 1   -2   12    3 o  3052.39   31.127   42.920   0.8743   43.694   1.2481   42.175   1.2251  3077.84   44.069  3023.88   44.028 53.95898 62.29386 
1 1 1   -2   12    4 o  1510.48   33.158   10.512   0.4609   10.851   0.6548   10.180   0.6488  1533.55   46.401  1485.29   47.468 48.26245 66.38007 
1 1 1   -2   12    5 o  1832.81   33.508   15.479   0.5651   15.367   0.7972   15.592   0.8012  1824.78   47.476  1838.05   47.372 -13.27576 67.06751 
1 1 1   -2   12    6 o  786.231   41.036   2.8594   0.2958   3.0397   0.4304   2.6978   0.4074  808.580   58.232  761.460   58.590 47.11932 82.60615 
1 1 1   -2   12    7 o  681.479   54.194   2.1632   0.3370   1.8899   0.6283   2.2735   0.3993  623.527  113.703  697.312   62.915 -73.78546 129.9486 
1 1 1   -2   12    8 o  897.422   49.626   3.7431   0.4082   3.4992   0.6841   3.8779   0.5087  858.341   87.850  911.172   61.026 -52.83057 106.9663 
1 1 1   -2   12    9 o  1161.07   42.639   6.2478   0.4555   5.8331   0.6414   6.6698   0.6471  1115.48   62.745  1195.73   58.813 -80.24292 85.99941 
1 1 1   -2   12   10 o  1742.85   48.406   14.145   0.7763   13.842   0.9261   14.861   1.4235  1719.31   58.541  1762.36   87.779 -43.05566 105.5091 
1 1 1   -2   12   11 o  974.101   54.419   4.4619   0.4858   4.2273   0.6079   4.8766   0.8083  941.107   70.715  1001.17   88.654 -60.06531 113.4024 
1 1 1   -2   12   12 o  191.153   82.828  -0.0125   0.2689   0.0623   0.3846  -0.0841   0.3762  237.652  100.932  214.514   95.278 23.13763 138.7995 
1 1 1   -2   12   13 o  164.887   76.080  -0.1843   0.2690  -0.3121   0.3860  -0.0636   0.3751  190.315   88.938  215.751   95.516 -25.43562 130.5121 
1 1 1   -2   12   14 o  250.481   91.397   0.2708   0.2739   0.1603   0.3618   0.4190   0.4191  245.956  100.614  304.445  112.729 -58.48958 151.0993 
1 1 1   -2   12   15 o  592.694   60.474   1.6883   0.3252   1.7089   0.4654   1.6686   0.4546  582.149   89.762  575.716   88.657 6.433838 126.1633 
1 1 1   -2   12   16 o  194.396   84.802  -0.0204   0.2858   0.1875   0.4169  -0.2047   0.3926  262.865  107.822  203.209   93.077 59.65643 142.4386 
1 1 1   -2   12   17 o  584.643   69.302   1.6592   0.3656   1.5382   0.5118   1.7852   0.5224  544.635  105.928  591.432   99.522 -46.79730 145.3462 
1 1 1   -2   12   18 o  247.656   97.526   0.2018   0.3265   0.0951   0.4607   0.3095   0.4629  260.668  110.581  294.223  116.034 -33.55560 160.2871 
1 1 1   -2   12   19 o  595.253   87.399   1.7494   0.4645   1.8356   0.6917   1.6786   0.6268  587.024  131.334  564.730  124.013 22.29437 180.6316 
1 1 1   -2   12   20 o  262.017  101.774   0.2426   0.3516   0.3489   0.5180   0.1518   0.4789  311.076  122.725  273.785  114.221 37.29135 167.6546 
1 1 1   -2   12   21 o  301.909  122.336   0.2907   0.5288   0.8338   0.7982  -0.1343   0.7060  409.707  154.787  285.758  128.461 123.9489 201.1497 
1 1 1   -2   12   22 f  348.654  115.030   0.6300   0.4284   0.1296   0.8761   0.7872   0.4911  331.961  146.517  383.327  122.932 -51.36594 191.2581 
1 1 1   -2   12   23 o  313.278  119.022   0.4641   0.4736   0.9209   0.7805   0.1977   0.5959  401.432  152.722  290.876  124.638 110.5557 197.1256 
1 1 1   -2   12   24 f  380.111  116.051   0.8322   0.4431   2.1650   0.7161   0.0052   0.5641  601.318  132.955  257.492  115.356 343.8264 176.0231 
1 1 1   -2   12   25 o  327.671  144.540   0.4480   0.8514   0.4892   1.3886   0.4233   1.0777  359.012  168.063  340.113  155.189 18.89844 228.7553 
1 1 1   -2   14    1 o  1793.35   34.423   14.823   0.5680   14.666   0.8007   14.983   0.8060  1782.20   48.825  1801.34   48.627 -19.13916 68.90910 
1 1 1   -2   14    2 o  898.005   38.589   3.7188   0.3189   3.5622   0.4412   3.8901   0.4614  876.143   55.004  915.732   55.009 -39.58893 77.79078 
1 1 1   -2   14    3 o  3753.78   32.574   64.945   1.1251   63.646   1.5500   66.392   1.6359  3712.97   45.366  3791.78   46.887 -78.81348 65.24156 
1 1 1   -2   14    4 o  1403.39   35.751   9.0836   0.4617   8.6032   0.6371   9.6148   0.6700  1364.08   50.758  1442.09   50.488 -78.00903 71.59189 
1 1 1   -2   14    5 o  1312.22   36.658   7.9470   0.4426   7.7194   0.6191   8.1851   0.6331  1291.23   52.110  1329.67   51.741 -38.43994 73.43369 
1 1 1   -2   14    6 o  329.663   86.858   0.5294   0.2672  -0.0064   0.5535   0.6922   0.3051  278.261  119.700  376.155   89.445 -97.89484 149.4273 
1 1 1   -2   14    7 o  208.167   81.682   0.1242   0.2283  -0.3064   0.3754   0.3769   0.2876  191.648   88.934  286.514   94.231 -94.86568 129.5712 
1 1 1   -2   14    8 o  282.497   82.440   0.3870   0.2276   0.4966   0.3423   0.3002   0.3047  321.973  102.561  268.523   96.636 53.45078 140.9156 
1 1 1   -2   14    9 o  249.733   92.764   0.2433   0.2842   0.2653   0.3244   0.1706   0.5894  263.164   98.842  302.070  126.427 -38.90530 160.4790 
1 1 1   -2   14   10 o  760.250   58.692   2.7384   0.4074   2.6992   0.5186   2.8016   0.6584  747.343   76.491  750.651   97.638 -3.308167 124.0322 
1 1 1   -2   14   11 o  1000.14   57.079   4.7401   0.5231   4.1128   0.6354   6.0593   0.9215  921.284   75.625  1107.12   91.265 -185.8362 118.5262 
1 1 1   -2   14   12 o  538.108   71.992   1.4171   0.3475   1.8090   0.5220   1.1051   0.4658  594.759   98.851  456.076  111.839 138.6825 149.2632 
1 1 1   -2   14   13 o  210.611   90.606   0.0225   0.3172   0.1777   0.4546  -0.1248   0.4427  268.122  111.528  225.514  101.517 42.60797 150.8120 
1 1 1   -2   14   14 o  402.014   92.632   0.8345   0.3356   0.9041   0.4529   0.7498   0.4999  409.776  115.268  375.482  124.272 34.29382 169.4998 
1 1 1   -2   14   15 o  1070.00   47.819   5.3851   0.4708   5.2957   0.6440   5.4878   0.6901  1048.19   67.121  1064.35   70.865 -16.16772 97.60638 
1 1 1   -2   14   16 o  534.799   69.644   1.3949   0.3346   1.6514   0.4778   1.1482   0.4687  570.163   94.372  465.379  111.007 104.7838 145.7004 
1 1 1   -2   14   17 o  325.946  105.537   0.5324   0.3613   0.6593   0.6456   0.4746   0.4360  371.958  139.482  319.582  115.515 52.37576 181.1045 
1 1 1   -2   14   18 o  651.611  115.188   2.1937   0.6654   0.0000   0.0000   2.1937   0.6654  ?   ?   651.611  115.188 0.000000 115.1882 
1 1 1   -2   14   19 o  921.993   58.706   4.0263   0.4955   4.2030   0.7100   3.8586   0.6917  928.486   84.017  888.384   85.678 40.10229 119.9978 
1 1 1   -2   14   20 o  400.534  112.739   0.8402   0.4331   1.3753   0.6608   0.4373   0.5734  499.872  138.757  331.063  129.581 168.8087 189.8542 
1 1 1   -2   14   21 o  424.683  113.232   0.9628   0.4506   0.8474   0.5616   1.1713   0.7549  397.103  131.731  453.425  152.770 -56.32172 201.7222 
1 1 1   -2   14   22 o  344.537  113.097   0.6298   0.4143   0.9967   0.5806   0.2492   0.5914  417.980  133.626  298.343  125.852 119.6367 183.5612 
1 1 1   -2   14   23 o  179.761   87.858  -0.7383   0.4812  -0.9065   0.6697  -0.5587   0.6920  213.086  104.036  237.514  113.369 -24.42798 153.8705 
1 1 1   -2   14   24 o  312.639  125.433   0.4967   0.5500   1.0602   0.7158  -0.3152   0.8593  398.794  147.399  272.938  129.137 125.8564 195.9661 
1 1 1   -2   16    1 o  743.391   45.217   2.5669   0.3078   3.1723   0.4568   2.0631   0.4167  823.823   60.685  661.557   69.485 162.2664 92.25432 
1 1 1   -2   16    2 o  1126.31   39.826   5.8648   0.4128   5.6634   0.5785   6.0737   0.5891  1102.53   57.222  1143.49   55.983 -40.96326 80.05340 
1 1 1   -2   16    3 o  458.942   58.445   0.9955   0.2412   1.1048   0.3443   0.8902   0.3380  478.546   81.096  426.690   88.967 51.85593 120.3821 
1 1 1   -2   16    4 o  263.578   82.849   0.3256   0.2240   0.4145   0.3732   0.2755   0.2800  307.621  107.290  258.808   92.690 48.81329 141.7840 
1 1 1   -2   16    5 o  542.171   77.790   1.4146   0.3770   0.0000   0.0000   1.4146   0.3770  ?   ?   542.171   77.790 0.000000 77.78967 
1 1 1   -2   16    6 o  356.948   81.999   0.6294   0.2637   0.6852   0.4247   0.5944   0.3363  371.385  113.650  346.176   99.987 25.20981 151.3725 
1 1 1   -2   16    7 o  1066.42   43.405   5.2911   0.4259   5.1511   0.5950   5.4382   0.6100  1044.41   62.195  1073.29   62.029 -28.87695 87.83913 
1 1 1   -2   16    8 o  458.317   86.168   1.0446   0.3501   0.7888   0.3972   1.9348   0.7410  391.947  107.085  600.768  137.066 -208.8216 173.9376 
1 1 1   -2   16    9 o  708.456   54.453   2.3772   0.3523   2.5967   0.5052   2.1696   0.4914  730.932   76.237  664.713   82.087 66.21948 112.0278 
1 1 1   -2   16   10 o  246.026   92.717   0.2408   0.2859   0.7427   0.4017  -0.2749   0.4071  376.148  109.450  200.287   92.827 175.8607 143.5140 
1 1 1   -2   16   11 o  643.405   69.784   2.0165   0.4065   1.5160   0.6343   2.3654   0.5296  521.180  132.092  688.358   85.449 -167.1787 157.3210 
1 1 1   -2   16   12 o  237.767   96.154   0.1660   0.3260  -0.0539   0.5073   0.3206   0.4254  248.532  110.503  285.424  111.647 -36.89230 157.0859 
1 1 1   -2   16   13 o  817.021   67.784   3.2361   0.5050   3.8812   0.8939   2.9337   0.6120  855.629  116.573  764.120   88.692 91.50885 146.4774 
1 1 1   -2   16   14 o  585.078   78.957   1.6983   0.4142   1.7760   0.5948   1.6250   0.5772  575.834  116.253  549.177  117.762 26.65704 165.4772 
1 1 1   -2   16   15 o  611.291   76.159   1.8389   0.4191   1.3230   0.5720   2.4371   0.6158  490.660  126.022  690.020   99.900 -199.3606 160.8155 
1 1 1   -2   16   16 o  980.835   64.007   4.6052   0.5745   4.2774   0.8012   4.9522   0.8243  923.493   95.670  998.236   90.728 -74.74335 131.8502 
1 1 1   -2   16   17 o  986.665   54.213   4.5964   0.4903   4.6815   0.6698   4.4982   0.7197  984.806   74.464  960.335   82.237 24.47070 110.9408 
1 1 1   -2   16   18 o  581.513   92.160   1.6895   0.4767   1.6564   0.7191   1.7155   0.6367  549.069  141.461  568.490  125.102 -19.42065 188.8434 
1 1 1   -2   16   19 o  451.146   97.302   1.0414   0.3921   0.3383   0.4993   2.1725   0.6332  304.424  120.366  649.260  109.910 -344.8356 162.9976 
1 1 1   -2   16   20 o  827.502   82.095   3.3749   0.6169   4.2633   0.8167   2.1951   0.9412  918.326   98.174  606.071  164.537 312.2548 191.6002 
1 1 1   -2   16   21 o  208.432   94.477  -0.1391   0.3911   0.1511   0.5503  -0.4353   0.5560  279.941  119.862  222.647  104.893 57.29439 159.2773 
1 1 1   -2   16   22 o  176.497   85.574  -0.5929   0.4319  -0.1408   0.6138  -1.0361   0.6077  255.289  116.730  194.146   95.657 61.14279 150.9177 
1 1 1   -2   16   23 o  245.282  111.720  -0.0709   0.5554  -0.2227   0.7956   0.0733   0.7757  271.199  127.038  290.726  132.267 -19.52676 183.3936 
1 1 1   -2   18    1 o  1092.13   60.414   5.6155   0.6048   0.0000   0.0000   5.6155   0.6048  ?   ?   1092.13   60.414 0.000000 60.41421 
1 1 1   -2   18    2 o  188.285   84.574  -0.1226   0.3053   0.0000   0.0000  -0.1226   0.3053  ?   ?   188.285   84.574 0.000000 84.57422 
1 1 1   -2   18    3 f  1251.70   50.377   7.3186   0.5802   6.7213   1.0543   7.5782   0.6949  1171.33   98.737  1269.95   59.470 -98.62085 115.2639 
1 1 1   -2   18    4 o  577.438   69.046   1.6012   0.3596   2.4076   0.7252   1.3383   0.4141  685.349  119.331  519.701   89.840 165.6475 149.3691 
1 1 1   -2   18    5 o  1213.22   42.185   6.8570   0.4709   6.7782   0.6545   6.9417   0.6782  1198.99   59.320  1211.09   61.053 -12.09875 85.12572 
1 1 1   -2   18    6 o  971.750   45.155   4.4135   0.4038   4.0837   0.5503   4.7982   0.5943  924.940   65.071  1003.11   64.726 -78.17126 91.78065 
1 1 1   -2   18    7 o  547.972   80.011   1.4827   0.3915   1.2913   0.4444   2.1476   0.8281  501.563   99.792  617.547  147.712 -115.9836 178.2612 
1 1 1   -2   18    8 o  417.508  101.514   0.9110   0.3862   0.4798   0.5204   1.4400   0.5763  327.799  124.705  514.897  123.273 -187.0974 175.3496 
1 1 1   -2   18    9 o  625.200   80.918   1.9436   0.4546   1.8137   0.6241   2.0903   0.6635  578.286  121.166  622.749  120.134 -44.46271 170.6270 
1 1 1   -2   18   10 o  429.598   85.271   0.9412   0.3252   1.0767   0.5027   0.8437   0.4264  442.182  120.333  395.369  112.074 46.81320 164.4405 
1 1 1   -2   18   11 o  657.314   64.272   2.0942   0.3838   2.4803   0.5619   1.7566   0.5254  700.322   89.218  579.839  102.211 120.4837 135.6727 
1 1 1   -2   18   12 o  216.957   91.433   0.0740   0.3117   0.1268   0.4346   0.0181   0.4473  255.047  107.750  242.896  106.018 12.15131 151.1618 
1 1 1   -2   18   13 o  918.241   58.197   4.0321   0.4892   4.5429   0.7338   3.6235   0.6563  955.595   84.311  852.445   84.798 103.1501 119.5784 
1 1 1   -2   18   14 o  838.805   64.072   3.3881   0.4908   3.9055   0.7590   3.0163   0.6434  878.112   95.471  773.135   92.266 104.9769 132.7692 
1 1 1   -2   18   15 o  316.835  105.738   0.4998   0.3616   0.5526   0.5272   0.4528   0.4970  341.595  126.445  320.933  121.924 20.66251 175.6521 
1 1 1   -2   18   16 o  627.299   83.418   1.9419   0.4696   1.9220   0.6911   1.9590   0.6400  597.493  129.447  610.598  118.174 -13.10516 175.2755 
1 1 1   -2   18   17 o  1120.39   74.285   6.0551   0.7615   4.3991   1.3738   6.7894   0.9149  865.102  178.508  1178.42   84.943 -313.3172 197.6874 
1 1 1   -2   18   18 o  504.146   96.270   1.2946   0.4303   0.6773   0.5417   2.3502   0.7084  367.204  129.196  668.309  119.585 -301.1047 176.0458 
1 1 1   -2   18   19 o  293.958  107.308   0.3931   0.3776   0.4047   0.5048   0.3783   0.5690  313.007  121.838  317.676  127.537 -4.668671 176.3807 
1 1 1   -2   18   20 o  393.214  126.033   0.8579   0.5163   1.1635   0.6604   0.3776   0.8279  445.981  142.500  343.822  147.108 102.1593 204.8100 
1 1 1   -2   18   21 o  337.180  114.861   0.6189   0.4268   0.6522   0.5756   0.5782   0.6361  348.346  131.484  340.708  135.494 7.637970 188.8036 
1 1 1   -2   18   22 o  385.115  134.037   0.9271   0.5823   1.3790   0.8611   0.5464   0.7904  436.996  161.639  336.071  143.760 100.9255 216.3193 
1 1 1   -2   20    1 o  486.700   83.519   1.1822   0.3606   1.4049   0.6779   1.0944   0.4258  501.455  141.021  459.152  103.280 42.30383 174.7964 
1 1 1   -2   20    2 o  406.843   99.001   0.8570   0.3671   1.5692   0.7135   0.6006   0.4281  527.976  143.236  344.458  115.049 183.5182 183.7194 
1 1 1   -2   20    3 o  627.722   66.679   1.9049   0.3792   2.0743   0.6300   1.8087   0.4749  629.124  112.985  600.788   88.567 28.33575 143.5607 
1 1 1   -2   20    4 o  794.370   59.383   3.0160   0.4309   3.1537   0.6944   2.9298   0.5495  788.297   97.837  772.344   78.410 15.95386 125.3806 
1 1 1   -2   20    5 o  844.834   63.012   3.4311   0.4863   3.3450   0.8981   3.4668   0.5785  784.327  128.926  841.511   75.509 -57.18396 149.4110 
1 1 1   -2   20    6 o  270.210  122.245  -0.1307   0.6513  -0.1307   0.6513   0.0000   0.0000  270.210  122.245  ?   ?  0.000000 122.2452 
1 1 1   -2   20    7 o  620.732   93.893   1.9754   0.5195   1.6496   0.7697   2.2480   0.7041  524.620  151.183  640.027  124.040 -115.4063 195.5562 
1 1 1   -2   20    8 o  1669.75   44.597   13.119   0.6852   13.752   0.9636   12.472   0.9745  1692.21   61.887  1607.05   65.902 85.16113 90.40470 
1 1 1   -2   20    9 o  270.300   96.224   0.3432   0.3013   0.2934   0.3957   0.4120   0.4650  273.824  107.508  304.947  117.427 -31.12329 159.2074 
1 1 1   -2   20   10 o  1146.18   51.058   6.2246   0.5385   6.8203   0.7911   5.7103   0.7351  1180.02   73.221  1078.22   74.547 101.7933 104.4917 
1 1 1   -2   20   11 o  338.698  103.890   0.6040   0.3546   0.6510   0.4883   0.5515   0.5158  352.060  122.734  335.277  124.886 16.78259 175.1006 
1 1 1   -2   20   12 o  617.441   70.975   1.8702   0.3959   1.4354   0.5471   2.3481   0.5736  512.608  118.386  677.490   94.591 -164.8819 151.5346 
1 1 1   -2   20   13 o  565.508   81.019   1.5955   0.4095   2.1559   0.6054   1.1225   0.5561  642.608  106.080  448.998  128.238 193.6102 166.4269 
1 1 1   -2   20   14 o  1295.10   55.581   7.9421   0.6624   7.1404   0.9246   8.7873   0.9493  1203.96   83.987  1342.91   77.149 -138.9539 114.0425 
1 1 1   -2   20   15 o  299.896  109.610   0.4034   0.3941   0.1893   0.5687   0.6014   0.5468  293.912  123.666  353.675  129.125 -59.76282 178.7918 
1 1 1   -2   20   16 o  475.338  108.452   1.1810   0.4639   1.0104   0.6783   1.3309   0.6358  431.085  144.810  491.359  136.003 -60.27377 198.6623 
1 1 1   -2   20   17 o  653.026  108.839   2.2107   0.6310   1.7684   1.1761   2.3895   0.7477  530.370  189.963  666.928  126.465 -136.5586 228.2090 
1 1 1   -2   20   18 o  256.604  108.842   0.1134   0.4463   1.2059   0.6675  -0.7698   0.6001  458.934  142.822  211.340  102.081 247.5931 175.5519 
1 1 1   -2   20   19 o  389.330  153.644   0.8064   0.8121   0.7058   1.0249   0.9760   1.3310  390.253  165.207  428.177  184.902 -37.92389 247.9561 
1 1 1   -2   20   20 o  500.361  112.996   1.4023   0.5080   2.6967   0.7017  -0.0228   0.7363  699.212  112.907  284.857  129.314 414.3553 171.6686 
1 1 1   -2   20   21 o  334.396  117.468   0.6452   0.4477   1.7525   0.6356  -0.4453   0.6308  532.950  130.625  228.449  108.818 304.5006 170.0129 
1 1 1   -2   20   22 o  246.538  119.986  -0.7083   0.8708  -1.2558   1.1881  -0.0729   1.2799  262.115  129.981  314.411  151.161 -52.29617 199.3606 
1 1 1   -2   22    1 o  1142.55   58.806   6.2652   0.6162   6.7864   0.7764   5.3785   1.0127  1177.24   72.018  1006.89  111.157 170.3494 132.4482 
1 1 1   -2   22    2 o  682.210   76.310   2.3108   0.4708   2.8033   0.5835   1.3921   0.7970  744.384   86.825  474.674  156.907 269.7103 179.3277 
1 1 1   -2   22    3 f  921.286   62.028   4.1005   0.5228   3.9765   0.6330   4.3664   0.9270  895.328   77.605  902.518  114.184 -7.189758 138.0602 
1 1 1   -2   22    4 o  339.449  116.917   0.6076   0.4425   0.6076   0.4425   0.0000   0.0000  339.449  116.917  ?   ?  0.000000 116.9167 
1 1 1   -2   22    5 o  342.444  114.160   0.6256   0.4216   0.6256   0.4216   0.0000   0.0000  342.444  114.160  ?   ?  0.000000 114.1601 
1 1 1   -2   22    6 o  295.253   99.681   0.4406   0.3214   0.6665   0.4415   0.1859   0.4688  351.564  116.808  268.058  112.511 83.50549 162.1811 
1 1 1   -2   22    7 o  872.504   56.172   3.6506   0.4486   3.7544   0.6201   3.5366   0.6497  868.545   78.435  836.928   85.570 31.61737 116.0785 
1 1 1   -2   22    8 o  408.690   90.509   0.8710   0.3314   1.1161   0.4469   0.5717   0.4939  453.606  108.529  335.199  122.674 118.4070 163.7909 
1 1 1   -2   22    9 o  257.813   96.834   0.2856   0.3114   0.3963   0.4037   0.1230   0.4893  293.928  110.285  263.877  113.001 30.05130 157.8984 
1 1 1   -2   22   10 o  985.290   69.519   4.7364   0.6262   3.8632   1.1340   5.1195   0.7512  800.187  159.613  1014.24   81.167 -214.0543 179.0653 
1 1 1   -2   22   11 o  649.742   87.574   2.1352   0.5102   2.5353   1.0218   2.0023   0.5889  632.786  171.299  615.123  107.986 17.66284 202.4950 
1 1 1   -2   22   12 o  390.975  117.596   0.8260   0.4575   0.7132   0.9564   0.8594   0.5210  395.055  162.816  396.661  126.546 -1.606903 206.2105 
1 1 1   -2   22   13 o  267.138  104.011   0.2672   0.3679   0.0032   0.5379   0.4993   0.5044  263.339  115.567  329.480  123.340 -66.14081 169.0223 
1 1 1   -2   22   14 o  180.650   85.214  -0.3563   0.3691  -0.1289   0.5099  -0.6066   0.5349  242.998  109.210  207.432   99.193 35.56636 147.5336 
1 1 1   -2   22   15 o  212.206   95.878  -0.1448   0.3991  -0.2176   0.5405  -0.0576   0.5918  241.068  109.961  268.503  119.366 -27.43498 162.2952 
1 1 1   -2   22   16 o  312.039  123.740   0.3811   0.5291  -1.0001   1.0445   0.8578   0.6136  283.721  136.443  398.549  137.661 -114.8275 193.8230 
1 1 1   -2   22   17 o  240.492  105.219   0.0097   0.4429  -0.0979   0.6170   0.1241   0.6362  265.791  119.730  292.186  127.001 -26.39484 174.5407 
1 1 1   -2   22   18 o  287.059  128.224   0.0326   0.6915  -0.5141   0.7912   1.8004   1.4227  261.390  123.745  488.844  199.684 -227.4533 234.9186 
1 1 1   -2   22   19 o  259.976  115.401   0.0500   0.5511  -0.1191   0.8701   0.1633   0.7121  292.858  135.721  295.655  131.214 -2.797791 188.7785 
1 1 1   -2   22   20 o  413.305  128.087   1.0793   0.5375   1.5048   0.8145   0.7511   0.7153  451.124  158.445  350.899  142.248 100.2243 212.9300 
1 1 1   -2   22   21 o  619.622  146.481   2.6452   0.8220   3.3564   0.9917   1.0844   1.4692  675.053  161.773  369.707  173.006 305.3463 236.8580 
1 1 1   -2   24    1 o  341.842  117.271   0.6306   0.4450   1.1116   0.5318  -0.4917   0.8123  439.257  125.386  265.803  125.699 173.4548 177.5443 
1 1 1   -2   24    2 o  190.906   90.109  -0.3563   0.4139  -0.1963   0.4912  -0.7479   0.7686  225.885  103.703  243.004  116.907 -17.11967 156.2740 
1 1 1   -2   24    3 o  309.317  107.440   0.4919   0.3740   0.5312   0.4825   0.4326   0.5920  324.596  120.813  319.089  129.389 5.506958 177.0237 
1 1 1   -2   24    4 o  644.478   71.871   2.0586   0.4190   2.5709   0.5893   1.5350   0.5957  704.891   93.138  518.109  126.140 186.7817 156.7989 
1 1 1   -2   24    5 o  534.452   85.906   1.4640   0.4082   1.5871   0.5534   1.3173   0.6044  535.921  115.623  474.028  133.095 61.89264 176.3041 
1 1 1   -2   24    6 o  183.503   84.149  -0.1655   0.3222  -0.2423   0.4155  -0.0495   0.5102  202.581   93.849  245.991  109.990 -43.41000 144.5871 
1 1 1   -2   24    7 o  533.863   85.334   1.4556   0.4051   1.5833   0.5650   1.3206   0.5811  534.527  118.027  479.028  128.965 55.49896 174.8204 
1 1 1   -2   24    8 o  397.626  101.604   0.8475   0.3731   1.2612   0.5215   0.4135   0.5341  475.539  119.364  312.054  124.140 163.4848 172.2165 
1 1 1   -2   24    9 o  575.250   80.142   1.6598   0.4127   2.0235   0.5943   1.3211   0.5735  616.322  108.760  483.149  127.247 133.1738 167.3937 
1 1 1   -2   24   10 o  529.422   88.946   1.4292   0.4179   0.7031   0.5653   2.3042   0.6206  365.794  131.631  663.307  105.196 -297.5133 168.5018 
1 1 1   -2   24   11 o  265.593  101.433   0.2849   0.3451   0.4544   0.4612   0.0692   0.5202  315.062  117.942  266.281  115.293 48.78140 164.9326 
1 1 1   -2   24   12 o  317.433  110.363   0.4942   0.3947   0.3053   0.5217   0.7472   0.6037  299.711  121.485  379.559  136.079 -79.84860 182.4172 
1 1 1   -2   24   13 o  777.247   74.853   2.9512   0.5287   2.3049   0.7204   3.7056   0.7784  654.028  124.256  852.275  101.231 -198.2469 160.2729 
1 1 1   -2   24   14 o  566.624   96.315   1.6468   0.4842   1.2809   0.6752   2.0342   0.6948  472.447  143.032  608.822  128.076 -136.3746 191.9933 
1 1 1   -2   24   15 o  529.204  120.875   1.5375   0.5757   1.8414   1.2144   1.4494   0.6538  520.005  192.031  501.880  137.511 18.12503 236.1883 
1 1 1   -2   24   16 o  176.982   87.823  -1.1262   0.5459  -1.8552   1.0747  -0.8727   0.6338  247.596  122.924  210.189  102.310 37.40723 159.9304 
1 1 1   -2   24   17 o  218.636  103.030  -0.3783   0.5371  -0.1903   1.2598  -0.4201   0.5938  333.655  157.402  227.745  107.629 105.9103 190.6819 
1 1 1   -2   24   18 o  289.734  128.684   0.1820   0.6862  -0.1788   0.7821   1.3889   1.4304  272.510  127.094  418.637  185.871 -146.1271 225.1686 
1 1 1   -2   24   19 o  322.128  126.394   0.6094   0.5466   0.2117   0.7476   1.0660   0.8012  290.418  131.220  382.678  152.104 -92.26019 200.8842 
1 1 1   -2   24   20 f  314.246  151.460   0.1459   1.3042   0.1459   1.3042   0.0000   0.0000  314.246  151.460  ?   ?  0.000000 151.4596 
1 1 1   -2   26    1 o  628.869   82.952   2.0122   0.4683   2.7222   0.6615   1.2990   0.6630  714.958  103.570  461.410  142.141 253.5479 175.8721 
1 1 1   -2   26    2 o  480.756  101.907   1.2430   0.4368   1.3006   0.6025   1.1791   0.6343  468.940  133.314  442.385  139.473 26.55557 192.9380 
1 1 1   -2   26    3 o  391.926  113.335   0.8556   0.4319   0.8246   0.5827   0.8933   0.6434  380.375  133.978  392.107  140.497 -11.73267 194.1375 
1 1 1   -2   26    4 o  213.324   96.241  -0.1044   0.4004  -0.6394   0.5171   0.6966   0.6328  196.510   94.879  361.256  137.497 -164.7453 167.0551 
1 1 1   -2   26    5 o  618.709   85.377   1.9498   0.4731   1.9481   0.6319   1.9520   0.7137  592.003  120.106  577.909  136.408 14.09442 181.7487 
1 1 1   -2   26    6 o  882.906   67.118   3.8034   0.5412   4.1358   0.7524   3.4472   0.7790  898.869   92.283  805.813  107.755 93.05603 141.8707 
1 1 1   -2   26    7 o  285.007  107.353   0.3637   0.3832   0.2476   0.4918   0.5433   0.6114  281.832  116.514  340.554  133.663 -58.72186 177.3170 
1 1 1   -2   26    8 o  267.829  106.282   0.2621   0.3906   0.8300   0.5214  -0.4637   0.5895  388.324  126.847  228.419  107.732 159.9048 166.4225 
1 1 1   -2   26    9 o  610.927   79.106   1.8541   0.4343   1.8038   0.5647   1.9270   0.6793  584.107  109.081  589.624  128.807 -5.517151 168.7897 
1 1 1   -2   26   10 o  667.955   77.004   2.2008   0.4646   1.9311   0.6277   2.5275   0.6910  599.350  118.018  692.072  112.360 -92.72156 162.9509 
1 1 1   -2   26   11 f  334.411  113.293   0.5717   0.4152   0.7618   0.5717   0.3594   0.6040  378.555  132.748  317.915  130.017 60.63983 185.8126 
1 1 1   -2   26   12 o  371.363  118.030   0.7412   0.4535   1.7184   0.6667  -0.1007   0.6188  552.098  132.838  266.422  119.969 285.6758 178.9932 
1 1 1   -2   26   13 o  240.208  104.049   0.0456   0.4241  -0.3094   0.5577   0.5322   0.6530  233.113  108.252  343.796  137.111 -110.6834 174.6932 
1 1 1   -2   26   14 o  465.755  136.283   1.2813   0.6212   1.0667   1.3119   1.3434   0.7053  429.064  184.421  469.024  146.956 -39.95963 235.8113 
1 1 1   -2   26   15 o  424.590  119.083   1.0370   0.4841   1.2906   0.6883   0.7888   0.6810  452.874  145.562  371.607  142.351 81.26724 203.5980 
1 1 1   -2   26   16 o  728.706   95.705   2.8468   0.6262   3.9345   0.9462   1.9990   0.8354  811.728  131.145  538.619  158.158 273.1088 205.4579 
1 1 1   -2   26   17 o  457.639  157.460   1.5756   0.8025   1.3385   0.9692   2.0924   1.4309  409.552  165.736  447.132  192.405 -37.58051 253.9455 
1 1 1   -2   26   18 o  225.935  105.941  -0.1909   0.5557   0.0611   0.8553  -0.3750   0.7309  282.237  132.053  240.503  115.258 41.73428 175.2775 
1 1 1   -2   28    1 o  404.086  123.312   0.9223   0.5004   1.3683   0.7018   0.4610   0.7137  474.762  146.231  337.221  139.959 137.5413 202.4153 
1 1 1   -2   28    2 o  289.670  122.733   0.2246   0.5665   1.5555   1.0336  -0.3467   0.6772  481.952  177.294  253.587  118.267 228.3651 213.1204 
1 1 1   -2   28    3 o  860.107   75.189   3.6575   0.5891   4.0393   0.8191   3.2484   0.8479  878.370  103.311  766.999  124.404 111.3710 161.7078 
1 1 1   -2   28    4 f  397.882  117.034   0.8731   0.4571   0.6769   0.5759   1.2071   0.7513  359.328  132.317  447.593  152.399 -88.26422 201.8249 
1 1 1   -2   28    5 o  636.456   91.576   2.0711   0.5209   2.5875   0.7039   1.4461   0.7744  694.682  114.075  487.258  154.166 207.4239 191.7814 
1 1 1   -2   28    6 o  253.791  106.384   0.1461   0.4183  -0.3789   0.5238   1.0701   0.6949  219.616  102.939  429.296  146.565 -209.6802 179.1027 
1 1 1   -2   28    7 o  472.238  111.291   1.2042   0.4757   1.0858   0.5969   1.4102   0.7874  436.230  134.950  482.292  155.757 -46.06143 206.0870 
1 1 1   -2   28    8 o  848.275   86.312   3.6119   0.6643   3.6189   0.7666   3.5911   1.3315  836.027  101.744  727.534  194.947 108.4927 219.9007 
1 1 1   -2   28    9 o  971.839   71.338   4.6171   0.6335   4.0587   0.8335   5.3808   0.9747  881.881  104.766  1015.14  105.909 -133.2552 148.9724 
1 1 1   -2   28   10 o  371.424  118.525   0.7544   0.4570   1.0440   0.5842   0.2979   0.7336  426.011  133.786  322.913  138.324 103.0983 192.4380 
1 1 1   -2   28   11 o  875.339   75.489   3.8007   0.6021   2.6165   0.7650   5.7284   0.9760  682.858  126.399  1045.07  102.829 -362.2079 162.9435 
1 1 1   -2   28   12 o  299.943  114.180   0.4273   0.4364   0.3739   0.5814   0.4961   0.6605  307.887  126.922  332.321  135.941 -24.43420 185.9814 
1 1 1   -2   28   13 o  775.779  104.251   3.2620   0.7254   3.6760   1.4760   3.1302   0.8329  648.372  213.491  733.207  128.111 -84.83582 248.9794 
1 1 1   -2   28   14 o  224.474  102.588  -0.1125   0.4733   0.6708   0.6618  -0.9329   0.6772  343.354  137.650  209.496  102.772 133.8576 171.7834 
1 1 1   -2   28   15 o  402.887  131.910   1.0691   0.5638   1.3745   0.7503   0.6732   0.8543  431.678  152.035  340.320  147.548 91.35867 211.8606 
1 1 1   -2   28   16 o  511.722  171.395   2.2944   0.9502   3.2159   1.1968   0.7232   1.5627  567.156  192.346  344.412  165.946 222.7434 254.0380 
1 1 1   -2   28   17 o  230.031  113.989  -0.9633   0.9077   0.0000   0.0000  -0.9633   0.9077  ?   ?   230.031  113.989 0.000000 113.9894 
1 1 1   -2   30    1 o  598.214  111.099   1.9305   0.5890   1.8399   0.7767   2.0532   0.9037  550.289  149.506  567.163  163.916 -16.87451 221.8569 
1 1 1   -2   30    2 o  458.325  123.065   1.1859   0.5300   1.7338   0.7048   0.4729   0.8039  542.288  140.204  348.403  146.837 193.8848 203.0230 
1 1 1   -2   30    3 o  312.004  122.033   0.4330   0.5082   0.5119   0.6631   0.3207   0.7913  339.614  137.210  331.012  142.756 8.601776 198.0044 
1 1 1   -2   30    4 o  462.692  119.271   1.1972   0.5110   0.9511   0.6488   1.5996   0.8295  405.414  141.459  502.620  159.612 -97.20554 213.2762 
1 1 1   -2   30    5 o  568.492  103.981   1.7203   0.5239   1.0071   0.6902   2.6901   0.8048  413.511  145.792  687.784  131.960 -274.2732 196.6431 
1 1 1   -2   30    6 o  603.291   99.619   1.9169   0.5337   1.4410   0.7022   2.5679   0.8213  486.432  145.552  663.073  139.047 -176.6412 201.2943 
1 1 1   -2   30    7 o  290.042  117.972   0.3187   0.4939   0.8896   0.6552  -0.4327   0.7517  391.794  141.607  259.361  122.119 132.4328 186.9909 
1 1 1   -2   30    8 o  391.904  124.878   0.8839   0.5074   0.7981   0.6544   1.0134   0.8036  374.987  140.467  407.720  155.004 -32.73303 209.1823 
1 1 1   -2   30    9 o  738.192   87.830   2.8163   0.5849   2.6089   0.7632   3.1115   0.9105  671.274  128.234  716.814  143.046 -45.54016 192.1098 
1 1 1   -2   30   10 o  252.392  107.628   0.1544   0.4405  -0.2825   0.5376   1.0473   0.7685  224.725  104.996  402.694  151.943 -177.9689 184.6908 
1 1 1   -2   30   11 o  315.614  122.622   0.5302   0.5105   0.9344   0.6780   0.0006   0.7760  381.622  142.970  284.332  130.464 97.29034 193.5493 
1 1 1   -2   30   12 o  333.594  140.994   0.6218   0.7446  -0.1463   1.2705   1.0237   0.9190  314.708  151.119  379.195  158.217 -64.48721 218.7914 
1 1 1   -2   30   13 o  271.452  118.913   0.2494   0.5673   0.7350   0.7129  -0.5886   0.9365  336.868  139.854  256.830  124.864 80.03857 187.4841 
1 1 1   -2   30   14 o  353.942  131.673   0.8911   0.5731   1.1511   0.7682   0.5648   0.8605  375.413  149.028  313.220  141.219 62.19263 205.3098 
1 1 1   -2   30   15 o  317.783  143.869   0.7319   0.9039   0.7319   0.9039   0.0000   0.0000  317.783  143.869  ?   ?  0.000000 143.8690 
1 1 1   -2   32    1 o  278.838  125.135   0.0474   0.6668   0.7787   0.7830  -1.8821   1.2720  369.789  149.205  265.793  132.252 103.9966 199.3807 
1 1 1   -2   32    2 o  261.878  118.547  -0.0397   0.6135  -0.1027   0.6929   0.1885   1.3198  269.363  123.482  353.792  165.035 -84.42889 206.1176 
1 1 1   -2   32    3 o  322.625  128.126   0.5201   0.5680   0.8148   0.7378   0.0911   0.8901  371.967  146.561  310.211  141.347 61.75638 203.6144 
1 1 1   -2   32    4 o  662.058  103.843   2.3928   0.6118   3.0567   0.8257   1.5847   0.9110  720.343  129.326  469.027  167.273 251.3152 211.4367 
1 1 1   -2   32    5 o  370.713  128.999   0.8251   0.5393   0.2600   0.6636   1.9248   0.9257  296.779  129.346  512.667  169.088 -215.8885 212.8871 
1 1 1   -2   32    6 o  635.836  105.700   2.2477   0.5967   2.2334   0.7614   2.2705   0.9607  593.062  141.498  552.495  171.247 40.56689 222.1428 
1 1 1   -2   32    7 o  388.096  130.436   0.9501   0.5503   0.5535   0.7000   1.5920   0.8905  327.799  137.526  457.447  165.123 -129.6483 214.8926 
1 1 1   -2   32    8 o  263.304  116.498   0.1420   0.5572   0.2937   0.6634  -0.2213   1.0266  292.273  128.301  291.294  138.774 0.9794312 188.9958 
1 1 1   -2   32    9 o  219.850  104.020  -0.3031   0.5576  -0.2329   0.6536  -0.4906   1.0685  241.523  113.768  277.262  134.468 -35.73889 176.1387 
1 1 1   -2   32   10 o  418.195  153.440   1.4048   0.7734   0.5584   1.4028   1.7744   0.9271  335.355  160.439  445.647  167.143 -110.2919 231.6841 
1 1 1   -2   32   11 o  249.520  118.299  -0.1391   0.7283  -0.7456   1.2476   0.1745   0.8971  269.392  133.520  284.741  133.864 -15.34836 189.0691 
1 1 1   -2   32   12 o  209.110  100.480  -0.3430   0.5638  -0.1748   0.7244  -0.6014   0.8977  242.019  115.650  239.154  117.524 2.864700 164.8843 
1 1 1   -2   32   13 o  276.440  127.134   0.3670   0.7427   0.2699   0.8526   0.6726   1.5120  274.981  129.652  307.880  151.536 -32.89932 199.4312 
1 1 1   -2   34    1 o  346.987  134.719   0.8088   0.6159   2.0341   0.8405  -0.6120   0.9051  507.119  160.631  251.606  122.424 255.5132 201.9654 
1 1 1   -2   34    2 o  255.968  116.426   0.0674   0.6005   0.6461   0.7781  -0.7855   0.9445  326.692  141.223  248.144  121.658 78.54778 186.3995 
1 1 1   -2   34    3 o  216.980  104.121  -0.4228   0.6009   0.0599   0.6851  -2.0328   1.2511  264.853  121.916  241.297  121.609 23.55666 172.1988 
1 1 1   -2   34    4 f  306.725  130.544   0.5362   0.6458   0.5252   0.7251   0.5782   1.4200  308.865  134.893  334.267  160.314 -25.40146 209.5153 
1 1 1   -2   34    5 o  249.585  115.943  -0.0211   0.6407  -0.0714   0.7056   0.2149   1.5293  253.768  119.115  318.860  156.006 -65.09210 196.2812 
1 1 1   -2   34    6 o  428.137  153.241   1.5535   0.7652   1.3614   0.8507   2.3680   1.7515  389.150  156.046  391.687  185.029 -2.537659 242.0459 
1 1 1   -2   34    7 o  293.783  129.034   0.5069   0.6718   0.7128   0.7613  -0.2176   1.4280  316.046  138.122  289.826  143.504 26.22018 199.1758 
1 1 1   -2   34    8 o  254.686  121.948  -0.0707   0.8143   4.0529   1.7265  -1.2503   0.9234  448.931  201.420  216.685  108.556 232.2464 228.8109 
1 1 1   -2   34    9 o  279.886  130.261   0.3993   0.8147   3.2759   1.6295  -0.5594   0.9408  403.572  186.572  238.949  117.974 164.6229 220.7421 
1 1 1   -2   34   10 o  424.456  140.211   1.5393   0.6364   1.3727   0.7949   1.8371   1.0623  364.096  149.054  372.321  162.923 -8.225098 220.8193 
1 1 1   -2   36    1 o  201.161   99.622  -0.7134   0.6894  -0.6547   0.9143  -0.7908   1.0496  227.931  113.199  234.353  117.159 -6.421585 162.9111 
1 1 1   -2   36    2 o  333.138  137.550   1.0359   0.6842   1.0482   0.8521   1.0135   1.1480  320.736  142.871  307.720  146.640 13.01556 204.7328 
1 1 1   -2   36    3 o  223.474  108.215  -0.2305   0.6853   0.3361   0.8897  -1.0568   1.0744  269.379  128.570  227.436  114.375 41.94266 172.0807 
1 1 1   -2   36    4 o  349.267  142.078   1.2302   0.7165   0.2208   0.9075   2.9004   1.1674  262.146  126.347  431.153  178.977 -169.0062 219.0804 
1 1 1   -2   36    5 o  379.092  169.072   2.4193   1.1972   4.0332   1.7370   0.9586   1.6525  386.004  182.915  292.757  146.453 93.24698 234.3212 
1 1 1   -2   36    7 o  224.850  115.272  -2.4267   1.5485  -2.4267   1.5485   0.0000   0.0000  224.850  115.272  ?   ?  0.000000 115.2725 
1 1 1   -1    1    2 o  1396.56   20.031   8.9770   0.2574   8.7840   0.3625   9.1732   0.3656  1381.18   28.524  1411.47   28.147 -30.28870 40.07328 
1 1 1   -1    1    3 o  3436.82   18.030   54.362   0.5702   54.568   0.8110   54.161   0.8018  3442.73   25.601  3429.87   25.404 12.85693 36.06647 
1 1 1   -1    1    4 o  540.367   22.841   1.3442   0.1136   1.4068   0.1621   1.2838   0.1592  551.719   32.060  526.883   33.005 24.83557 46.01251 
1 1 1   -1    1    5 o  998.488   21.988   4.5898   0.2020   4.8788   0.2929   4.3276   0.2790  1029.11   30.929  969.231   31.286 59.88104 43.99317 
1 1 1   -1    1    6 o  487.484   29.569   1.0988   0.1320   1.5269   0.2019   0.7790   0.1745  574.149   38.432  408.062   47.350 166.0870 60.98372 
1 1 1   -1    1    7 o  1444.91   23.878   9.6142   0.3175   9.8947   0.4539   9.3456   0.4442  1465.17   33.670  1423.92   33.901 41.25330 47.77979 
1 1 1   -1    1    8 o  996.342   26.478   4.5716   0.2427   4.4822   0.3397   4.6648   0.3470  986.088   37.439  1005.97   37.486 -19.87988 52.98043 
1 1 1   -1    1    9 o  1303.07   26.458   7.8187   0.3172   7.6351   0.4445   8.0093   0.4529  1287.15   37.527  1318.32   37.338 -31.17004 52.93790 
1 1 1   -1    1   10 o  244.241   81.736   0.2604   0.2161   0.0381   0.2930   0.5255   0.3199  213.234   89.187  333.049   97.899 -119.8151 132.4336 
1 1 1   -1    1   11 o  1384.92   29.266   8.8394   0.3730   9.3108   0.5356   8.3955   0.5197  1420.21   40.983  1348.50   41.880 71.71301 58.59642 
1 1 1   -1    1   12 o  150.680   69.069  -0.1501   0.2167  -0.0715   0.3156  -0.2202   0.2981  201.135   88.392  174.448   80.347 26.68723 119.4515 
1 1 1   -1    1   13 o  175.810   71.441   0.0622   0.1809   0.4367   0.2673  -0.2541   0.2457  300.115   89.812  148.778   69.981 151.3375 113.8573 
1 1 1   -1    1   14 o  1618.51   34.132   12.141   0.5083   11.200   0.7515   12.935   0.6902  1546.66   52.803  1666.06   45.020 -119.4009 69.38978 
1 1 1   -1    1   15 o  282.237   80.688   0.3956   0.2201  -0.1311   0.2935   1.0716   0.3325  181.551   82.108  465.186   80.608 -283.6348 115.0624 
1 1 1   -1    1   16 o  307.432   85.161   0.4775   0.2492   0.7975   0.3580   0.1767   0.3471  392.347   99.116  246.439   99.375 145.9080 140.3546 
1 1 1   -1    1   17 o  520.306   59.739   1.3006   0.2808   1.6029   0.4232   1.0628   0.3754  567.796   83.498  456.514   92.528 111.2821 124.6325 
1 1 1   -1    1   18 o  313.585   87.237   0.4980   0.2609   0.6106   0.3706   0.3872   0.3673  344.808  106.280  292.658  105.993 52.14932 150.0995 
1 1 1   -1    1   19 o  176.600   78.496  -0.0703   0.2558  -0.0010   0.3646  -0.1375   0.3590  222.257   96.376  202.016   91.133 20.24088 132.6407 
1 1 1   -1    1   20 o  257.650   93.876   0.2789   0.2888   0.7146   0.4296  -0.0804   0.3901  373.590  114.298  219.628   97.310 153.9616 150.1111 
1 1 1   -1    1   21 o  311.190  112.569   0.4290   0.4142   0.1411   0.5890   0.7107   0.5825  295.901  125.249  381.532  133.993 -85.63092 183.4154 
1 1 1   -1    1   22 o  438.335   85.994   0.9590   0.3345   1.0679   0.4830   0.8586   0.4636  452.008  115.653  406.089  117.416 45.91840 164.8092 
1 1 1   -1    1   23 o  316.204  121.886   0.4120   0.5013  -0.0671   0.7027   0.9087   0.7155  290.618  129.577  415.184  148.222 -124.5661 196.8751 
1 1 1   -1    1   24 o  325.917  107.897   0.5456   0.3768   1.1468   0.5823   0.1124   0.4942  450.544  131.973  265.509  113.633 185.0347 174.1533 
1 1 1   -1    1   25 o  306.018  111.626   0.4721   0.4085   0.0930   0.5803   0.8444   0.5751  273.036  119.923  382.024  133.193 -108.9878 179.2261 
1 1 1   -1    1   26 o  344.081  153.307   0.4760   0.9818   0.0984   1.2779   1.0201   1.5339  339.670  159.713  400.213  183.559 -60.54288 243.3150 
1 1 1   -1    3    1 o  5008.18   32.900  115.525   1.5161  115.783   2.1665  115.277   2.1225  5010.90   46.987  5000.14   46.131 10.75244 65.84706 
1 1 1   -1    3    2 o  157.520   44.143   0.1175   0.0665   0.1089   0.0985   0.1248   0.0902  160.946   55.187  166.004   52.638 -5.058197 76.26480 
1 1 1   -1    3    3 o  2128.05   26.220   20.851   0.5134   21.205   0.7349   20.514   0.7176  2145.22   37.232  2109.97   36.959 35.24438 52.46103 
1 1 1   -1    3    4 o  1281.42   24.967   7.5604   0.2944   7.3169   0.4159   7.8049   0.4168  1260.11   35.867  1301.52   34.801 -41.40649 49.97512 
1 1 1   -1    3    5 o  1886.49   21.220   16.384   0.3684   16.244   0.5223   16.523   0.5196  1877.78   30.227  1893.87   29.815 -16.09888 42.45729 
1 1 1   -1    3    6 o  2807.37   21.891   36.289   0.5655   35.140   0.7793   37.567   0.8219  2761.54   30.666  2855.23   31.284 -93.68970 43.80790 
1 1 1   -1    3    7 f  3014.60   22.786   41.845   0.6321   41.502   0.8902   42.195   0.8976  3000.99   32.236  3025.94   32.238 -24.94922 45.58979 
1 1 1   -1    3    8 f  2082.94   24.278   19.977   0.4653   19.729   0.6547   20.229   0.6614  2069.20   34.387  2095.28   34.307 -26.08057 48.57403 
1 1 1   -1    3    9 o  553.069   35.048   1.4150   0.1774   1.3278   0.2511   1.5020   0.2507  533.881   51.774  568.529   48.390 -34.64795 70.86695 
1 1 1   -1    3   10 o  789.878   38.211   2.8764   0.2777   3.0128   0.4012   2.7508   0.3848  805.735   54.436  769.716   54.688 36.01978 77.16208 
1 1 1   -1    3   11 o  1083.44   30.864   5.4120   0.3077   5.3118   0.4379   5.5097   0.4324  1072.17   44.389  1092.10   43.030 -19.92896 61.82228 
1 1 1   -1    3   12 o  234.595   88.330   0.1958   0.2594   0.0162   0.3628   0.3836   0.3710  229.451   97.758  300.906  106.811 -71.45454 144.7932 
1 1 1   -1    3   13 o  870.904   36.203   3.5125   0.2901   3.6609   0.4179   3.3745   0.4031  884.697   51.560  849.206   51.832 35.49152 73.10922 
1 1 1   -1    3   14 o  1237.00   34.055   7.0937   0.3876   7.4968   0.5555   6.7112   0.5411  1267.08   47.648  1198.32   49.076 68.76563 68.40126 
1 1 1   -1    3   15 f  611.284   48.159   1.7615   0.2687   1.8561   0.3810   1.6678   0.3790  620.505   67.834  586.252   71.750 34.25354 98.73952 
1 1 1   -1    3   16 o  389.125   74.357   0.7522   0.2565   1.0774   0.3737   0.4623   0.3528  460.289   91.453  307.808  104.433 152.4807 138.8161 
1 1 1   -1    3   17 o  180.976   77.335   0.0145   0.2283  -0.1583   0.3142   0.2078   0.3323  184.298   83.977  248.827   98.252 -64.52914 129.2503 
1 1 1   -1    3   18 o  250.808   88.562   0.2817   0.2548   0.1936   0.3460   0.3860   0.3765  249.407   99.695  293.618  107.153 -44.21130 146.3588 
1 1 1   -1    3   19 o  461.066   71.279   1.0393   0.2927   1.3646   0.4169   0.7231   0.4109  521.487   90.133  373.303  111.267 148.1848 143.1933 
1 1 1   -1    3   20 o  627.005   69.126   1.8908   0.3922   1.9715   0.5949   1.8287   0.5216  622.359  107.788  604.295   97.089 18.06458 145.0673 
1 1 1   -1    3   21 o  275.677  106.830   0.2725   0.3867   0.2750   0.5421   0.2700   0.5519  305.141  123.787  306.155  124.635 -1.013916 175.6621 
1 1 1   -1    3   22 o  449.038   90.797   1.0139   0.3623   0.6067   0.4998   1.4646   0.5258  354.154  124.132  532.557  110.901 -178.4030 166.4568 
1 1 1   -1    3   23 o  841.557   84.951   3.4910   0.6488   3.7481   0.9122   3.2278   0.9230  845.277  120.716  772.279  134.792 72.99786 180.9454 
1 1 1   -1    3   24 o  213.319   93.837  -0.0277   0.3565  -0.1262   0.5055   0.0697   0.5028  239.301  108.033  261.257  113.233 -21.95566 156.5016 
1 1 1   -1    3   25 o  329.113  109.983   0.5858   0.3912   0.8314   0.5685   0.3648   0.5393  378.668  132.399  300.663  122.894 78.00549 180.6444 
1 1 1   -1    5    1 o  3212.33   24.540   47.508   0.7254   48.445   1.0521   46.659   1.0014  3242.70   35.259  3182.49   34.198 60.20923 49.11923 
1 1 1   -1    5    2 o  969.226   26.180   4.3255   0.2335   4.2952   0.3318   4.3551   0.3286  965.434   37.349  972.169   36.736 -6.734131 52.38792 
1 1 1   -1    5    3 o  1929.06   26.854   17.136   0.4767   17.386   0.6798   16.895   0.6685  1942.17   38.041  1914.58   37.948 27.58594 53.73235 
1 1 1   -1    5    4 o  1662.59   28.904   12.733   0.4422   13.631   0.6466   11.943   0.6061  1719.24   40.874  1609.27   40.929 109.9744 57.84319 
1 1 1   -1    5    5 o  282.643   54.872   0.3819   0.1376   0.3086   0.1999   0.4478   0.1896  256.987   77.828  304.813   69.188 -47.82614 104.1353 
1 1 1   -1    5    6 o  2442.44   28.889   27.484   0.6493   27.572   1.0183   27.424   0.8428  2443.90   45.282  2438.62   37.559 5.278076 58.83154 
1 1 1   -1    5    7 o  899.130   30.756   3.7246   0.2545   3.4447   0.3495   4.0401   0.3711  862.941   44.169  935.823   43.100 -72.88226 61.71279 
1 1 1   -1    5    8 o  1207.32   26.812   6.7121   0.2979   7.3538   0.4514   6.2173   0.3964  1263.10   38.839  1161.50   37.091 101.6023 53.70511 
1 1 1   -1    5    9 o  1230.66   32.250   6.9772   0.3652   7.1255   0.5396   6.8517   0.4961  1242.76   47.186  1218.86   44.233 23.90491 64.67678 
1 1 1   -1    5   10 o  1241.03   33.024   7.0988   0.3771   7.1344   0.5328   7.0630   0.5338  1243.04   46.585  1236.77   46.905 6.270386 66.10813 
1 1 1   -1    5   11 o  1948.34   28.041   17.501   0.5027   17.585   0.7122   17.418   0.7097  1950.94   39.670  1941.70   39.724 9.248169 56.14046 
1 1 1   -1    5   12 o  820.895   50.014   3.1436   0.3760   3.2242   0.5362   3.0656   0.5274  825.637   71.271  804.722   71.983 20.91516 101.2970 
1 1 1   -1    5   13 o  912.081   35.723   3.8544   0.2998   3.6858   0.4201   4.0294   0.4280  887.086   51.685  928.071   50.312 -40.98480 72.12901 
1 1 1   -1    5   14 o  1191.94   34.538   6.5920   0.3788   6.6050   0.5406   6.5794   0.5309  1187.87   49.462  1185.90   48.654 1.972534 69.38072 
1 1 1   -1    5   15 o  139.918   65.476  -0.1937   0.2104  -0.4460   0.3046   0.0366   0.2911  150.796   72.810  206.396   87.739 -55.59978 114.0151 
1 1 1   -1    5   16 o  334.102   77.710   0.5616   0.2344   0.8780   0.3456   0.2921   0.3190  413.638   93.053  263.901   98.224 149.7369 135.3024 
1 1 1   -1    5   17 o  125.863   61.615  -0.4426   0.2396  -0.7670   0.3430  -0.1337   0.3347  140.803   69.826  194.165   87.758 -53.36206 112.1480 
1 1 1   -1    5   18 o  247.137   88.440   0.2679   0.2549  -0.2116   0.3572   0.7652   0.3638  192.113   88.284  383.788  101.471 -191.6749 134.5008 
1 1 1   -1    5   19 o  270.661   91.573   0.3440   0.2713   0.3373   0.3873   0.3504   0.3801  286.343  107.903  287.869  107.204 -1.525940 152.1043 
1 1 1   -1    5   20 o  893.576   57.000   3.7721   0.4662   3.8409   0.6980   3.7167   0.6265  886.916   86.638  876.874   78.471 10.04224 116.8921 
1 1 1   -1    5   21 o  257.409  101.091   0.2183   0.3499   0.5023   0.4957  -0.0639   0.4941  335.240  122.861  249.749  110.143 85.49115 165.0043 
1 1 1   -1    5   22 o  819.854   56.261   3.1808   0.4219   3.3024   0.6176   3.0744   0.5777  822.560   82.712  794.841   80.071 27.71924 115.1206 
1 1 1   -1    5   23 f  635.313   84.874   2.0063   0.4838   2.0388   0.7088   1.9781   0.6619  611.996  129.890  607.666  122.598 4.330261 178.6103 
1 1 1   -1    5   24 o  174.197   82.201  -0.3220   0.3440  -0.6007   0.4964  -0.0643   0.4773  195.293   93.952  238.731  106.590 -43.43866 142.0864 
1 1 1   -1    5   25 o  403.457  110.487   0.9165   0.4222   0.3563   0.5807   1.5448   0.6150  302.889  126.025  509.303  130.603 -206.4146 181.4922 
1 1 1   -1    7    1 o  2058.34   26.634   19.512   0.5045   19.881   0.7201   19.156   0.7069  2076.70   37.684  2038.49   37.687 38.20557 53.29487 
1 1 1   -1    7    2 o  753.790   29.363   2.6175   0.2037   2.7610   0.2936   2.4844   0.2827  772.598   41.455  732.690   42.112 39.90820 59.09248 
1 1 1   -1    7    3 o  1621.49   38.685   12.125   0.5772   12.214   0.8247   12.039   0.8081  1625.51   55.138  1613.91   54.414 11.59790 77.46725 
1 1 1   -1    7    4 o  1391.15   29.935   8.9172   0.3832   9.3852   0.5546   8.4898   0.5301  1426.13   42.264  1356.37   42.469 69.75842 59.91581 
1 1 1   -1    7    5 o  2086.74   30.820   20.066   0.5918   20.185   0.8490   19.953   0.8254  2091.21   44.119  2079.30   43.138 11.90430 61.70371 
1 1 1   -1    7    6 o  1167.03   34.056   6.2769   0.3657   6.4079   0.5257   6.1542   0.5091  1178.09   48.497  1154.58   47.917 23.50830 68.17612 
1 1 1   -1    7    7 f  930.894   37.643   3.9941   0.3224   4.1079   0.4654   3.8890   0.4471  941.652   53.942  916.218   53.263 25.43475 75.80689 
1 1 1   -1    7    8 o  1114.81   38.474   5.7284   0.3947   6.3646   0.5826   5.1888   0.5365  1174.06   53.928  1058.55   55.275 115.5051 77.22451 
1 1 1   -1    7    9 o  447.854   61.622   0.9450   0.2472   0.9209   0.3567   0.9673   0.3430  436.755   91.668  448.779   86.187 -12.02423 125.8224 
1 1 1   -1    7   10 o  2726.54   33.350   34.287   0.8367   34.568   1.3252   34.100   1.0790  2732.69   52.700  2716.86   43.159 15.82031 68.11781 
1 1 1   -1    7   11 o  1076.78   36.981   5.3595   0.3664   5.0876   0.5019   5.6698   0.5362  1046.71   52.108  1104.85   52.741 -58.14404 74.14069 
1 1 1   -1    7   12 o  1023.28   41.541   4.8579   0.3911   5.6981   0.6586   4.4001   0.4862  1099.70   65.382  969.446   54.722 130.2554 85.26038 
1 1 1   -1    7   13 f  174.359   73.013   0.0333   0.1967   0.3133   0.2941  -0.1935   0.2646  268.002   95.097  163.296   75.383 104.7066 121.3507 
1 1 1   -1    7   14 o  268.477   81.384   0.3533   0.2185   0.2460   0.3257   0.4411   0.2946  256.697   98.415  299.486   95.130 -42.78857 136.8769 
1 1 1   -1    7   15 o  337.023   78.225   0.5713   0.2379   0.4097   0.3257   0.7561   0.3483  292.585  100.337  382.067   98.467 -89.48264 140.5821 
1 1 1   -1    7   16 o  584.368   52.773   1.6238   0.2807   1.0826   0.3780   2.2893   0.4192  460.398   92.435  688.309   67.030 -227.9112 114.1806 
1 1 1   -1    7   17 o  241.832   86.095   0.2582   0.2412   0.5527   0.3579   0.0130   0.3266  329.581  104.860  212.552   91.690 117.0287 139.2932 
1 1 1   -1    7   18 o  561.298   57.231   1.5052   0.2915   1.3024   0.4087   1.7150   0.4158  507.841   90.792  590.490   78.461 -82.64929 119.9970 
1 1 1   -1    7   19 o  664.165   56.827   2.0953   0.3439   2.0676   0.4903   2.1220   0.4826  647.959   84.232  657.896   81.458 -9.937012 117.1774 
1 1 1   -1    7   20 o  669.272   66.274   2.1431   0.4028   3.9566   0.6663   1.0990   0.5056  903.596   81.000  458.036  118.915 445.5592 143.8812 
1 1 1   -1    7   21 o  461.727   91.443   1.0701   0.3748   1.4713   0.5255   0.6548   0.5346  534.646  110.469  366.611  128.388 168.0346 169.3716 
1 1 1   -1    7   22 o  170.180   81.553  -0.4683   0.3658  -0.7268   0.4870  -0.1333   0.5543  187.357   90.846  254.486  114.158 -67.12904 145.8938 
1 1 1   -1    7   23 o  763.479   74.470   2.8500   0.5165   2.8540   0.7374   2.8461   0.7237  738.054  112.099  738.773  109.805 -0.7185669 156.9181 
1 1 1   -1    7   24 o  696.237   71.287   2.3915   0.4503   2.0673   0.6229   2.7461   0.6516  616.284  114.049  723.916  100.528 -107.6323 152.0297 
1 1 1   -1    7   25 o  237.416   99.893   0.1434   0.3710   0.1175   0.5416   0.1662   0.5094  265.511  116.253  266.101  114.649 -0.5901184 163.2768 
1 1 1   -1    9    1 o  2317.74   28.316   24.749   0.6039   24.766   0.8566   24.733   0.8515  2316.91   40.179  2315.39   39.968 1.526123 56.67272 
1 1 1   -1    9    2 o  411.119   40.682   0.7874   0.1519   0.8674   0.2224   0.7175   0.2079  429.174   57.789  389.264   59.966 39.91034 83.28007 
1 1 1   -1    9    3 o  1170.80   30.474   6.3166   0.3283   6.5755   0.4725   6.0749   0.4565  1193.63   43.020  1147.27   43.243 46.36023 60.99760 
1 1 1   -1    9    4 o  1570.91   30.783   11.371   0.4450   11.523   0.6365   11.226   0.6223  1580.14   43.773  1559.69   43.363 20.45227 61.61498 
1 1 1   -1    9    5 o  2004.64   31.478   18.515   0.5807   17.942   0.8083   19.125   0.8346  1972.01   44.546  2036.00   44.551 -63.99207 63.00094 
1 1 1   -1    9    6 o  1926.07   33.062   17.091   0.5860   16.235   0.8146   18.009   0.8434  1875.87   47.195  1975.77   46.392 -99.89868 66.17860 
1 1 1   -1    9    7 o  4396.80   33.113   89.066   1.3397   88.908   1.9063   89.220   1.8830  4389.76   47.195  4397.63   46.534 -7.871582 66.27795 
1 1 1   -1    9    8 o  2145.82   41.798   21.239   0.8253   22.154   1.5057   20.846   0.9867  2185.37   74.879  2124.65   50.472 60.71924 90.30072 
1 1 1   -1    9    9 o  1404.62   44.841   9.1152   0.5796   7.9474   0.9433   9.8233   0.7346  1303.55   79.017  1456.65   54.802 -153.1061 96.16154 
1 1 1   -1    9   10 o  943.802   40.766   4.1199   0.3540   3.9481   0.4520   4.3927   0.5695  920.640   53.584  968.739   64.255 -48.09869 83.66620 
1 1 1   -1    9   11 o  735.212   49.739   2.5259   0.3345   2.4982   0.4011   2.5893   0.6064  728.505   60.372  731.152   92.182 -2.647827 110.1919 
1 1 1   -1    9   12 o  703.743   53.706   2.3302   0.3452   1.5202   0.4515   3.4689   0.5354  554.955   91.619  853.945   68.713 -298.9896 114.5234 
1 1 1   -1    9   13 o  1112.96   39.998   5.7667   0.4096   5.9546   0.5919   5.5940   0.5674  1122.58   57.496  1088.29   56.861 34.28967 80.86427 
1 1 1   -1    9   14 o  364.638   73.071   0.6602   0.2366   0.7134   0.3507   0.6158   0.3206  371.228  100.304  346.318   96.827 24.91052 139.4142 
1 1 1   -1    9   15 o  927.940   42.124   4.0281   0.3597   4.0859   0.5476   3.9842   0.4770  922.159   64.953  915.064   56.931 7.095032 86.37115 
1 1 1   -1    9   16 o  743.364   47.521   2.6066   0.3234   2.7658   0.4943   2.4875   0.4275  754.052   72.119  718.282   65.399 35.76917 97.35616 
1 1 1   -1    9   17 o  458.591   69.565   1.0300   0.2843   1.1794   0.4409   0.9236   0.3721  475.775  103.636  422.500   97.658 53.27438 142.3991 
1 1 1   -1    9   18 o  146.945   69.897  -0.3029   0.2584  -0.2615   0.3914  -0.3348   0.3440  197.429   91.331  174.788   82.392 22.64108 123.0036 
1 1 1   -1    9   19 o  230.600   96.688   0.0811   0.3457   0.3026   0.5853  -0.0376   0.4284  314.487  128.226  235.309  103.200 79.17734 164.5974 
1 1 1   -1    9   20 o  1042.39   48.466   5.0827   0.4649   5.6989   0.7135   4.6282   0.6128  1091.22   71.450  984.763   68.045 106.4603 98.66701 
1 1 1   -1    9   21 o  227.305   98.748  -0.0091   0.3842   0.1367   0.5801  -0.1231   0.5128  291.746  123.935  246.598  110.268 45.14702 165.8888 
1 1 1   -1    9   22 o  260.930  106.900   0.1799   0.4092  -0.5011   0.5706   0.9014   0.5873  224.465  105.904  409.914  134.656 -185.4487 171.3123 
1 1 1   -1    9   23 o  919.595   67.431   4.1011   0.5666   3.7347   0.8112   4.4503   0.7918  846.157  106.544  937.110   93.055 -90.95343 141.4598 
1 1 1   -1    9   24 o  787.238   66.236   3.0426   0.4753   3.0345   0.6866   3.0500   0.6588  756.174  101.209  763.110   95.940 -6.936707 139.4554 
1 1 1   -1    9   25 o  254.927  108.676   0.1741   0.4489  -0.4385   0.6609   0.6987   0.6116  235.654  112.004  347.709  134.457 -112.0550 174.9957 
1 1 1   -1   11    1 o  256.943   62.120   0.3177   0.1453  -0.0164   0.1971   0.7151   0.2149  166.041   71.427  388.319   62.246 -222.2775 94.74380 
1 1 1   -1   11    2 o  1172.52   32.259   6.3349   0.3480   6.0333   0.4835   6.6592   0.5014  1143.37   45.960  1201.26   45.357 -57.89050 64.57280 
1 1 1   -1   11    3 o  3005.88   30.181   41.622   0.8348   41.785   1.1772   41.457   1.1840  3009.92   42.504  2998.00   42.919 11.91260 60.40344 
1 1 1   -1   11    4 o  979.419   34.243   4.4201   0.3086   4.1105   0.4261   4.7617   0.4476  942.448   49.307  1015.82   47.881 -73.37250 68.72975 
1 1 1   -1   11    5 o  1575.68   33.536   11.439   0.4862   10.687   0.6687   12.283   0.7083  1521.87   47.754  1631.59   47.175 -109.7263 67.12608 
1 1 1   -1   11    6 o  1686.58   34.688   13.109   0.5383   12.906   0.7588   13.314   0.7639  1672.09   49.317  1698.38   48.880 -26.28992 69.43613 
1 1 1   -1   11    7 o  2456.68   40.825   27.843   0.9229   28.773   1.6868   27.447   1.1025  2489.65   73.631  2437.60   49.154 52.05347 88.53049 
1 1 1   -1   11    8 o  554.459   54.487   1.4376   0.2744   1.3606   0.4057   1.5025   0.3725  532.950   85.629  563.337   73.628 -30.38696 112.9315 
1 1 1   -1   11    9 o  945.005   49.573   4.1533   0.4296   4.0972   0.7190   4.1844   0.5357  928.991   85.057  945.736   61.897 -16.74475 105.1947 
1 1 1   -1   11   10 o  641.433   66.770   1.9511   0.3883   2.3868   0.4753   1.0771   0.6733  707.837   74.079  460.011  143.489 247.8260 161.4829 
1 1 1   -1   11   11 o  336.914   87.542   0.5655   0.2739   1.1406   0.4176   0.1315   0.3628  476.875   98.426  245.803  100.670 231.0721 140.7908 
1 1 1   -1   11   12 f  435.143   87.730   0.9484   0.3391   1.3839   0.4423   0.3268   0.5284  524.720   95.102  309.379  123.350 215.3406 155.7548 
1 1 1   -1   11   13 o  190.256   81.436   0.0146   0.2539  -0.2096   0.3242   0.3706   0.4084  181.632   83.703  295.250  110.897 -113.6184 138.9400 
1 1 1   -1   11   14 o  220.612   84.846   0.1764   0.2425   0.4550   0.3540  -0.0700   0.3329  305.226  104.605  201.779   89.625 103.4471 137.7494 
1 1 1   -1   11   15 o  703.458   54.297   2.3548   0.3487   2.3922   0.5004   2.3194   0.4863  696.268   79.527  686.102   78.442 10.16626 111.7037 
1 1 1   -1   11   16 o  690.943   56.898   2.2784   0.3585   1.9139   0.4858   2.7144   0.5313  617.698   87.955  742.802   78.948 -125.1038 118.1900 
1 1 1   -1   11   17 o  469.642   82.117   1.1029   0.3419   1.0397   0.4843   1.1657   0.4829  440.243  117.398  468.247  113.298 -28.00424 163.1528 
1 1 1   -1   11   18 o  353.872   89.824   0.6373   0.2930   0.3156   0.4363   0.9016   0.3954  290.011  113.167  416.770  103.564 -126.7593 153.4024 
1 1 1   -1   11   19 o  398.667  101.399   0.8154   0.3728   1.1112   0.6829   0.6898   0.4450  453.646  144.908  368.014  116.911 85.63266 186.1898 
1 1 1   -1   11   20 o  763.126   58.657   2.7625   0.4087   1.9140   0.5966   3.5130   0.5611  611.002  110.167  854.864   72.002 -243.8623 131.6098 
1 1 1   -1   11   21 o  526.990  126.557   1.4934   0.6060   2.9503   0.9946   0.6333   0.7642  724.631  153.914  379.882  149.323 344.7495 214.4456 
1 1 1   -1   11   22 o  861.407   71.696   3.6070   0.5631   6.0089   1.3411   3.0929   0.6205  1037.48  144.390  787.354   87.102 250.1312 168.6275 
1 1 1   -1   11   23 o  426.139  113.751   1.0030   0.4544   1.0433   0.7751   0.9819   0.5609  419.081  153.625  413.507  131.240 5.573730 202.0510 
1 1 1   -1   11   24 o  749.312   73.970   2.8247   0.5034   3.4237   0.8101   2.4481   0.6424  780.342  116.378  666.319  108.514 114.0230 159.1199 
1 1 1   -1   11   25 o  360.818  161.810   0.7143   1.1128   0.0000   0.0000   0.7143   1.1128  ?   ?   360.818  161.810 0.000000 161.8097 
1 1 1   -1   13    1 o  1975.18   33.210   17.976   0.6036   17.821   0.8463   18.136   0.8611  1965.22   46.801  1982.48   47.202 -17.25647 66.47091 
1 1 1   -1   13    2 o  3351.95   31.871   51.764   0.9830   50.879   1.3579   52.738   1.4249  3321.04   44.435  3380.89   45.802 -59.85205 63.81446 
1 1 1   -1   13    3 o  3003.03   32.114   41.550   0.8874   40.560   1.2209   42.660   1.2921  2965.03   44.748  3040.55   46.183 -75.51709 64.30553 
1 1 1   -1   13    4 o  553.448   44.570   1.4225   0.2251   2.1161   0.3430   0.8981   0.2982  674.349   55.775  433.479   77.622 240.8699 95.58207 
1 1 1   -1   13    5 o  930.685   39.009   3.9955   0.3341   4.1999   0.4706   3.7879   0.4743  951.558   53.970  903.032   57.378 48.52600 78.77142 
1 1 1   -1   13    6 o  1340.42   43.662   8.3007   0.5385   9.7022   1.0346   7.7798   0.6307  1440.55   78.344  1296.44   52.870 144.1172 94.51440 
1 1 1   -1   13    7 o  582.300   49.953   1.5826   0.2651   1.4321   0.3759   1.7315   0.3738  548.245   76.604  605.706   68.262 -57.46063 102.6058 
1 1 1   -1   13    8 o  736.563   54.022   2.5377   0.3636   2.7383   0.5994   2.4210   0.4573  755.489   87.871  715.227   70.399 40.26184 112.5936 
1 1 1   -1   13    9 o  214.723   87.814   0.0915   0.2755   0.3230   0.3251  -0.4987   0.5191  277.233   99.817  216.012  101.639 61.22064 142.4566 
1 1 1   -1   13   10 o  600.034   59.373   1.7083   0.3235   2.3044   0.4894   1.2457   0.4311  690.661   78.398  498.362   97.509 192.2991 125.1172 
1 1 1   -1   13   11 o  265.246   96.041   0.3029   0.3016   0.2825   0.3993   0.3299   0.4601  278.688  108.401  297.892  116.216 -19.20370 158.9246 
1 1 1   -1   13   12 o  558.927   69.953   1.5195   0.3519   1.1155   0.4879   1.9573   0.5080  457.582  115.790  624.637   91.056 -167.0546 147.3045 
1 1 1   -1   13   13 o  446.569   82.800   1.0042   0.3277   0.6538   0.4510   1.3960   0.4770  354.788  118.074  517.205  103.829 -162.4163 157.2322 
1 1 1   -1   13   14 o  726.100   56.607   2.5174   0.3752   2.3261   0.4688   2.8585   0.6259  688.324   75.242  752.453   92.340 -64.12817 119.1131 
1 1 1   -1   13   15 o  761.565   55.253   2.7623   0.3846   2.4759   0.5036   3.1630   0.5956  708.657   78.550  799.437   82.135 -90.78070 113.6500 
1 1 1   -1   13   16 o  998.931   49.348   4.6986   0.4536   5.0897   0.6552   4.3386   0.6286  1025.95   69.822  944.875   72.859 81.08002 100.9132 
1 1 1   -1   13   17 o  404.711  102.422   0.8533   0.3817   1.2992   0.7295   0.6852   0.4480  478.397  149.378  363.537  117.494 114.8593 190.0494 
1 1 1   -1   13   18 o  333.249  115.299   0.5373   0.4306   1.3323   0.8126   0.2271   0.5077  486.949  158.317  289.537  118.893 197.4113 197.9895 
1 1 1   -1   13   19 o  435.019  102.053   0.9719   0.4015   1.1267   0.5842   0.8334   0.5526  458.191  131.619  400.424  130.569 57.76736 185.3964 
1 1 1   -1   13   20 o  508.306   83.938   1.2832   0.3789   1.5183   0.5300   1.0374   0.5418  540.892  110.234  439.935  126.864 100.9569 168.0653 
1 1 1   -1   13   21 o  389.806  123.215   0.8102   0.4948   0.6976   0.6267   0.9965   0.8061  373.889  137.973  427.849  156.695 -53.95996 208.7817 
1 1 1   -1   13   22 o  610.354   75.648   1.8474   0.4158   1.9979   0.6225   1.7261   0.5586  608.049  115.474  567.405  110.973 40.64362 160.1540 
1 1 1   -1   13   23 o  288.827  114.170   0.3632   0.4491   0.6930   0.6944   0.1261   0.5888  358.812  141.923  276.947  121.240 81.86511 186.6584 
1 1 1   -1   13   24 o  840.075   69.935   3.5469   0.5357   4.5872   0.8813   2.9374   0.6746  906.738  107.740  729.512  103.390 177.2255 149.3233 
1 1 1   -1   15    1 o  1282.80   37.523   7.5921   0.4429   8.0492   0.6405   7.1732   0.6131  1319.06   52.771  1245.12   53.515 73.93799 75.15730 
1 1 1   -1   15    2 f  1921.14   35.359   17.025   0.6251   16.157   0.8642   17.978   0.9052  1869.03   50.249  1971.59   49.896 -102.5668 70.81329 
1 1 1   -1   15    3 o  1221.25   37.825   6.8848   0.4251   6.8545   0.6051   6.9144   0.5973  1216.45   54.055  1221.90   53.122 -5.445068 75.78835 
1 1 1   -1   15    4 o  1290.76   37.850   7.6951   0.4496   8.2409   0.6518   7.1999   0.6209  1333.24   53.128  1246.02   54.151 87.22888 75.86137 
1 1 1   -1   15    5 o  640.225   58.429   1.9224   0.3404   1.6055   0.6244   2.0564   0.4061  566.718  123.249  660.240   67.804 -93.52124 140.6691 
1 1 1   -1   15    6 o  1137.42   46.125   6.0039   0.4827   5.9944   0.8061   6.0093   0.6028  1124.89   78.370  1133.68   57.978 -8.788574 97.48435 
1 1 1   -1   15    7 o  491.127   67.875   1.1550   0.2985   1.0996   0.4942   1.1869   0.3746  464.837  115.940  492.579   85.762 -27.74139 144.2124 
1 1 1   -1   15    8 o  384.604   91.031   0.7405   0.3172   0.7780   0.3788   0.6525   0.5800  391.883  103.509  373.760  133.446 18.12280 168.8844 
1 1 1   -1   15    9 o  510.898   67.867   1.2595   0.3112   1.4775   0.4216   0.9988   0.4611  546.629   86.718  438.207  113.461 108.4221 142.8061 
1 1 1   -1   15   10 o  794.752   59.518   3.0069   0.4321   2.7579   0.5351   3.4734   0.7325  751.723   78.520  832.261   97.495 -80.53809 125.1831 
1 1 1   -1   15   11 o  461.989   91.387   1.0886   0.3747   1.1216   0.4840   1.0394   0.5920  457.664  115.062  433.693  134.433 23.97162 176.9503 
1 1 1   -1   15   12 o  601.541   77.072   1.7886   0.4168   2.0484   0.7463   1.6709   0.5025  602.825  137.576  568.470   99.691 34.35461 169.8990 
1 1 1   -1   15   13 f  753.157   71.193   2.7679   0.4875   1.9286   0.7806   3.3047   0.6243  575.631  146.887  814.306   84.548 -238.6747 169.4822 
1 1 1   -1   15   14 o  974.304   57.586   4.5307   0.5140   4.6342   0.7493   4.4387   0.7063  965.207   85.241  947.267   81.840 17.94031 118.1689 
1 1 1   -1   15   15 o  299.525   98.851   0.4466   0.3164   0.6800   0.4167   0.1290   0.4861  359.304  113.015  267.282  113.497 92.02161 160.1684 
1 1 1   -1   15   16 o  308.708  100.166   0.4768   0.3253   0.5113   0.4163   0.4228   0.5215  323.397  113.289  318.690  123.900 4.706421 167.8860 
1 1 1   -1   15   17 o  193.666   86.776  -0.1042   0.3193   0.3216   0.4395  -0.5802   0.4647  291.563  113.638  191.118   91.672 100.4456 146.0047 
1 1 1   -1   15   18 o  867.755   72.458   3.6283   0.5733   3.9747   0.8638   3.3556   0.7664  885.009  108.328  814.940  104.617 70.06848 150.5979 
1 1 1   -1   15   19 o  837.294   62.908   3.3458   0.4811   4.3277   0.6982   2.4579   0.6640  941.942   81.349  693.218  107.575 248.7247 134.8704 
1 1 1   -1   15   20 o  238.780  104.571  -0.0152   0.4384   0.1762   0.5506  -0.3466   0.7247  287.812  121.421  269.402  124.501 18.41000 173.9066 
1 1 1   -1   15   21 o  429.362  114.705   1.0044   0.4618   1.5234   0.6399   0.4404   0.6671  517.696  133.471  334.710  136.732 182.9855 191.0770 
1 1 1   -1   15   22 o  475.771  107.871   1.2410   0.4614   1.9843   0.6302   0.3827   0.6772  595.461  119.179  320.482  134.906 274.9794 180.0091 
1 1 1   -1   15   23 o  277.052  120.522   0.1955   0.5738  -0.0596   0.8263   0.4331   0.7975  287.528  132.902  326.188  141.990 -38.65924 194.4841 
1 1 1   -1   17    1 o  762.211   48.090   2.7087   0.3356   3.0951   0.4973   2.3858   0.4546  810.055   67.331  709.602   70.564 100.4524 97.53329 
1 1 1   -1   17    2 o  486.917   63.954   1.1280   0.2796   1.3937   0.4166   0.9103   0.3772  535.276   87.617  428.023   97.893 107.2531 131.3762 
1 1 1   -1   17    3 o  1012.26   61.048   4.8132   0.5660   0.0000   0.0000   4.8132   0.5660  ?   ?   1012.26   61.048 0.000000 61.04842 
1 1 1   -1   17    4 o  1005.27   61.428   4.7566   0.5655   0.0000   0.0000   4.7566   0.5655  ?   ?   1005.27   61.428 0.000000 61.42805 
1 1 1   -1   17    5 o  931.098   50.043   4.0574   0.4272   5.5221   0.7561   3.3706   0.5177  1074.89   76.954  842.501   67.346 232.3848 102.2617 
1 1 1   -1   17    6 o  498.060   68.021   1.1950   0.3036   1.3817   0.4735   1.0646   0.3956  523.151  102.027  459.802   96.574 63.34955 140.4853 
1 1 1   -1   17    7 o  1284.99   51.633   7.7472   0.6105   7.7135   0.7275   7.8274   1.1227  1276.77   61.921  1257.46   97.794 19.31079 115.7499 
1 1 1   -1   17    8 o  537.572   72.612   1.4099   0.3500   2.3103   0.5703   0.8659   0.4433  678.963   93.786  405.336  114.048 273.6273 147.6576 
1 1 1   -1   17    9 o  307.045  105.678   0.4591   0.3615   0.4288   0.4973   0.4929   0.5263  316.436  121.546  330.797  125.520 -14.36127 174.7248 
1 1 1   -1   17   10 o  232.291   92.491   0.1727   0.2967  -0.1179   0.3677   0.7147   0.5023  205.280   92.457  367.604  124.605 -162.3239 155.1601 
1 1 1   -1   17   11 o  975.420   51.454   4.5141   0.4602   4.7858   0.6554   4.2500   0.6463  989.980   72.451  929.819   76.210 60.16107 105.1532 
1 1 1   -1   17   12 o  356.106  101.828   0.6694   0.3504   0.5740   0.5157   0.7513   0.4777  340.181  125.215  373.135  121.389 -32.95422 174.3968 
1 1 1   -1   17   13 o  306.710   99.932   0.4770   0.3237  -0.0568   0.4320   1.1603   0.4888  229.853  102.096  462.054  115.329 -232.2005 154.0275 
1 1 1   -1   17   14 f  618.999   73.670   1.8836   0.4114   1.8249   0.6027   1.9348   0.5629  582.960  116.432  609.166  104.160 -26.20569 156.2231 
1 1 1   -1   17   15 o  274.505  104.759   0.3067   0.3679   0.6241   0.5278   0.0066   0.5132  353.139  127.175  257.923  113.041 95.21613 170.1523 
1 1 1   -1   17   16 o  214.803   94.663  -0.0491   0.3643   0.0120   0.5132  -0.1111   0.5174  260.250  113.576  247.121  110.610 13.12894 158.5375 
1 1 1   -1   17   17 o  353.792  114.722   0.6364   0.4268   0.1500   0.6108   1.1006   0.5967  297.746  126.845  450.249  134.053 -152.5025 184.5533 
1 1 1   -1   17   18 o  286.272  105.221   0.3567   0.3639   0.5150   0.4788   0.1400   0.5601  332.255  120.903  286.541  121.757 45.71347 171.5878 
1 1 1   -1   17   19 o  730.242   71.671   2.5907   0.4754   2.5782   0.6460   2.6055   0.7020  710.244  101.760  707.242  111.575 3.002136 151.0101 
1 1 1   -1   17   20 o  739.339   86.314   2.7458   0.5762   2.9122   0.7350   2.4806   0.9279  742.448  110.996  641.812  158.140 100.6360 193.2056 
1 1 1   -1   17   21 o  519.262   99.611   1.4356   0.4586   1.9755   0.6602   0.9319   0.6376  589.151  125.610  398.230  140.165 190.9211 188.2128 
1 1 1   -1   17   22 o  244.650  105.396   0.1209   0.4304  -0.0525   0.5574   0.3769   0.6772  248.442  112.680  310.700  132.995 -62.25864 174.3116 
1 1 1   -1   17   23 o  709.635  116.855   2.9668   0.7365   2.4675   0.8828   4.1099   1.3357  584.528  159.629  681.928  199.921 -97.40015 255.8313 
1 1 1   -1   19    1 f  1097.87   53.919   5.6582   0.5447   6.0203   1.0002   5.5056   0.6495  1102.71   99.650  1075.85   65.923 26.85364 119.4824 
1 1 1   -1   19    2 o  744.663   63.110   2.6413   0.4284   3.1364   0.8822   2.4885   0.4900  774.343  128.308  717.507   75.344 56.83575 148.7942 
1 1 1   -1   19    3 o  524.994   70.558   1.3360   0.3322   1.2324   0.5256   1.4048   0.4287  483.750  118.925  530.131   91.171 -46.38071 149.8506 
1 1 1   -1   19    4 o  551.458   67.592   1.4693   0.3358   1.0627   0.4928   1.8218   0.4588  448.005  117.937  607.389   84.366 -159.3843 145.0057 
1 1 1   -1   19    5 o  561.233   63.397   1.5164   0.3217   1.1707   0.4397   1.9143   0.4718  475.236  103.485  621.421   84.712 -146.1852 133.7359 
1 1 1   -1   19    6 o  197.695   86.482  -0.0267   0.2991   0.0907   0.3561  -0.3080   0.5511  232.978   97.936  234.817  108.537 -1.838913 146.1902 
1 1 1   -1   19    7 o  330.598   89.924   0.5624   0.2808   0.6022   0.3766   0.5125   0.4215  340.451  107.480  322.631  113.910 17.81967 156.6123 
1 1 1   -1   19    8 o  349.476  100.277   0.6419   0.3393   0.4983   0.4191   0.9151   0.5780  318.127  113.455  405.375  133.605 -87.24796 175.2783 
1 1 1   -1   19    9 o  802.097   60.691   3.0981   0.4446   3.4341   0.5802   2.6202   0.6921  834.080   76.449  702.574  110.714 131.5056 134.5435 
1 1 1   -1   19   10 o  639.350   65.051   1.9885   0.3774   1.9115   0.5320   2.0665   0.5353  606.426   98.743  633.740   94.708 -27.31403 136.8202 
1 1 1   -1   19   11 o  1119.75   51.515   5.9423   0.5308   6.1641   0.7713   5.7428   0.7315  1120.01   75.280  1082.16   73.906 37.85461 105.4953 
1 1 1   -1   19   12 o  206.952   89.031   0.0261   0.3062   0.1127   0.4582  -0.0439   0.4116  257.502  109.789  225.822  100.013 31.68027 148.5134 
1 1 1   -1   19   13 f  513.857   83.150   1.3303   0.3797   1.9233   0.5778   0.8796   0.5038  603.739  107.974  399.991  124.016 203.7482 164.4336 
1 1 1   -1   19   14 o  907.312   64.742   3.9632   0.5370   4.4607   0.8040   3.5626   0.7214  940.448   94.178  838.992   95.131 101.4559 133.8633 
1 1 1   -1   19   15 o  748.676   69.817   2.7123   0.4754   2.7793   0.6886   2.6512   0.6573  736.637  104.513  720.980  101.911 15.65729 145.9750 
1 1 1   -1   19   16 o  897.275   66.799   3.8638   0.5476   4.0194   0.7928   3.7219   0.7572  894.791   97.887  861.199   97.254 33.59180 137.9861 
1 1 1   -1   19   17 o  329.101  125.018   0.4757   0.5225   0.1957   1.1361   0.5508   0.5884  373.944  165.855  348.701  132.621 25.24295 212.3588 
1 1 1   -1   19   18 o  608.295   84.366   1.8458   0.4595   0.9172   0.5583   3.7945   0.8089  409.922  131.034  859.817  104.379 -449.8950 167.5258 
1 1 1   -1   19   19 o  1105.77   70.383   5.9584   0.7124   6.3004   0.8032   4.6976   1.5424  1130.34   77.699  823.562  204.473 306.7838 218.7376 
1 1 1   -1   19   20 o  472.326  118.646   1.2632   0.5150   1.0322   0.6848   1.5639   0.7813  412.953  145.263  494.365  154.632 -81.41214 212.1614 
1 1 1   -1   19   21 o  545.040  108.950   1.6715   0.5273   2.3196   0.7267   0.9510   0.7663  619.551  131.543  385.379  150.088 234.1715 199.5748 
1 1 1   -1   19   22 o  351.417  132.112   0.7837   0.5799   0.1548   0.8301   1.3831   0.8104  294.992  135.201  426.942  157.000 -131.9500 207.1917 
1 1 1   -1   21    1 o  200.277   86.223   0.0157   0.2876  -0.2105   0.4132   0.2286   0.4007  207.612   95.238  265.053  106.811 -57.44174 143.1041 
1 1 1   -1   21    2 f  1317.29   46.496   8.1641   0.5636   9.5711   0.8335   6.9792   0.7649  1412.26   64.142  1199.92   69.578 212.3416 94.63268 
1 1 1   -1   21    3 o  519.256   71.662   1.3287   0.3333   2.3421   0.4895   0.4529   0.4551  687.391   78.809  312.891  117.150 374.4999 141.1914 
1 1 1   -1   21    4 o  222.555   94.258   0.0735   0.3339   0.3875   0.4032  -0.6119   0.5956  293.579  110.201  219.298  104.813 74.28102 152.0853 
1 1 1   -1   21    5 o  391.626  124.377   0.8491   0.5037   0.4625   0.6886   1.2938   0.7386  338.280  138.640  464.146  150.936 -125.8664 204.9455 
1 1 1   -1   21    6 o  548.185  107.030   1.6043   0.5205   1.7763   0.7754   1.4633   0.7022  541.926  150.264  495.207  144.894 46.71820 208.7431 
1 1 1   -1   21    7 o  517.885  105.312   1.4325   0.4848   2.2719   0.7839   0.9128   0.6168  625.322  139.756  400.272  138.033 225.0494 196.4307 
1 1 1   -1   21    8 o  231.009   93.633   0.1595   0.3099  -0.2623   0.4003   0.7904   0.4896  196.934   91.537  378.150  122.879 -181.2169 153.2263 
1 1 1   -1   21    9 o  998.540   54.592   4.7634   0.4997   4.3619   0.6973   5.1871   0.7164  934.169   81.952  1024.24   76.568 -90.07147 112.1555 
1 1 1   -1   21   10 o  195.290   86.520  -0.0497   0.3083  -0.2969   0.4001   0.3116   0.4838  193.665   90.517  290.342  117.236 -96.67700 148.1131 
1 1 1   -1   21   11 o  314.782  102.292   0.5110   0.3393   0.8420   0.4760   0.1690   0.4837  390.900  120.433  269.797  113.814 121.1026 165.7038 
1 1 1   -1   21   12 o  514.823   87.178   1.3476   0.3982   1.1767   0.5403   1.5508   0.5893  459.500  124.636  529.969  123.174 -70.46924 175.2315 
1 1 1   -1   21   13 o  444.807   96.231   1.0260   0.3824   1.1330   0.5381   0.9167   0.5436  453.326  124.973  408.577  129.152 44.74985 179.7172 
1 1 1   -1   21   14 o  677.619   72.781   2.2368   0.4467   2.3739   0.6451   2.1105   0.6191  677.826  106.983  636.759  109.619 41.06671 153.1724 
1 1 1   -1   21   15 o  292.561  110.412   0.3618   0.4059   0.8277   0.6092  -0.0100   0.5442  396.127  137.144  264.031  116.047 132.0955 179.6534 
1 1 1   -1   21   16 o  298.492  123.104   0.2639   0.5472   0.1933   1.1186   0.2861   0.6274  368.677  163.997  314.228  130.887 54.44980 209.8250 
1 1 1   -1   21   17 o  360.289  119.441   0.6843   0.4617  -0.0496   0.6613   1.3824   0.6449  280.336  125.294  492.793  137.175 -212.4567 185.7841 
1 1 1   -1   21   18 o  294.983  125.030   0.2331   0.5882   0.2614   0.6622   0.1271   1.2807  309.176  131.902  366.068  167.836 -56.89188 213.4643 
1 1 1   -1   21   19 o  912.725   93.244   4.3395   0.7721   5.6288   1.3421   3.7017   0.9440  944.523  160.138  797.275  133.387 147.2482 208.4140 
1 1 1   -1   21   20 o  229.827  100.911   0.0493   0.4106   0.1686   0.5105  -0.1694   0.6910  263.341  114.112  259.156  120.397 4.184357 165.8827 
1 1 1   -1   21   21 f  202.550   95.817  -0.3078   0.4727  -0.8133   0.6160   0.4162   0.7372  199.864   98.040  307.458  135.101 -107.5940 166.9253 
1 1 1   -1   23    1 o  198.216   94.834  -0.5223   0.4902  -0.5223   0.4902   0.0000   0.0000  198.216   94.834  ?   ?  0.000000 94.83392 
1 1 1   -1   23    2 o  1021.05   77.731   5.1898   0.7248   5.1898   0.7248   0.0000   0.0000  1021.05   77.731  ?   ?  0.000000 77.73149 
1 1 1   -1   23    3 o  646.343  103.765   2.2182   0.5963   2.2182   0.5963   0.0000   0.0000  646.343  103.765  ?   ?  0.000000 103.7647 
1 1 1   -1   23    4 o  264.689  105.897   0.2582   0.3908   0.4089   0.4869  -0.0146   0.6551  304.335  119.333  276.972  124.182 27.36285 172.2254 
1 1 1   -1   23    5 o  157.541   75.331  -0.3640   0.3084  -0.3255   0.3961  -0.4233   0.4914  188.952   88.870  206.160   97.576 -17.20779 131.9804 
1 1 1   -1   23    6 o  332.952  101.377   0.5902   0.3385   0.9515   0.4612   0.1684   0.4983  412.844  116.387  270.174  114.824 142.6697 163.4949 
1 1 1   -1   23    7 o  488.276   83.603   1.2176   0.3621   1.0286   0.4982   1.4293   0.5273  426.871  121.181  508.901  115.278 -82.02954 167.2539 
1 1 1   -1   23    8 o  501.683   87.909   1.2950   0.3910   1.0727   0.5167   1.5930   0.5982  435.163  123.374  531.460  124.502 -96.29657 175.2765 
1 1 1   -1   23    9 f  452.130  105.339   1.1002   0.4301   0.2470   0.6182   1.9008   0.5988  300.859  127.879  591.551  114.147 -290.6921 171.4132 
1 1 1   -1   23   10 o  405.213  120.088   0.9100   0.4797   2.1520   1.0521   0.5841   0.5390  567.545  179.705  341.794  127.590 225.7514 220.3931 
1 1 1   -1   23   11 o  305.673  117.083   0.4114   0.4607   0.7759   1.0053   0.3146   0.5183  401.959  166.411  297.874  120.966 104.0847 205.7311 
1 1 1   -1   23   12 o  599.327  102.630   1.8608   0.5456   1.5235   1.0803   1.9763   0.6322  494.557  181.362  608.146  117.221 -113.5886 215.9465 
1 1 1   -1   23   13 o  331.934  107.226   0.5627   0.3731   0.3318   0.5313   0.7874   0.5242  305.456  123.025  384.644  127.253 -79.18771 176.9987 
1 1 1   -1   23   14 o  326.326  111.369   0.5323   0.4012   0.7162   0.5681   0.3491   0.5668  372.499  132.171  313.070  126.725 59.42905 183.1073 
1 1 1   -1   23   15 o  310.884  123.774   0.3784   0.5313   0.9796   1.0267   0.1585   0.6209  428.342  171.548  295.411  126.923 132.9305 213.3968 
1 1 1   -1   23   16 o  287.793  112.221   0.3406   0.4288   0.1894   0.5786   0.5249   0.6387  289.440  123.387  341.845  135.828 -52.40573 183.5039 
1 1 1   -1   23   17 o  224.489  101.296  -0.1014   0.4438   0.7433   0.6543  -0.8213   0.6040  368.799  139.945  205.601  100.033 163.1983 172.0206 
1 1 1   -1   23   18 o  310.353  128.686   0.4117   0.6025   0.1074   0.6711   1.6777   1.3687  284.396  126.728  454.506  191.579 -170.1103 229.7006 
1 1 1   -1   23   19 o  197.326   95.670  -0.6158   0.5397   0.1084   0.8583  -1.0894   0.6941  297.549  136.781  203.678  100.705 93.87122 169.8539 
1 1 1   -1   23   20 o  401.510  131.807   1.0958   0.5628   0.7842   0.7614   1.4710   0.8354  342.726  143.591  424.810  158.795 -82.08377 214.0897 
1 1 1   -1   25    1 o  339.808  110.295   0.6263   0.3945   0.3204   0.5733   0.9013   0.5436  300.537  125.142  394.781  129.547 -94.24426 180.1194 
1 1 1   -1   25    2 f  1045.33   59.182   5.2783   0.5669   5.4520   0.8011   5.1040   0.8024  1037.27   84.670  999.675   88.133 37.59167 122.2149 
1 1 1   -1   25    3 o  281.419  105.883   0.3645   0.3726   0.3747   0.5109   0.3529   0.5446  300.605  120.794  301.625  123.417 -1.019714 172.6928 
1 1 1   -1   25    4 o  223.694   97.299   0.0290   0.3739   0.1977   0.5162  -0.1573   0.5423  276.209  117.107  240.983  110.008 35.22560 160.6731 
1 1 1   -1   25    5 o  444.109  104.011   1.0682   0.4176   1.3698   0.5908   0.7672   0.5903  485.401  129.774  371.107  134.364 114.2940 186.8020 
1 1 1   -1   25    6 o  266.626  104.784   0.2826   0.3762   0.4545   0.5023   0.0629   0.5679  313.511  121.674  269.571  118.513 43.93976 169.8528 
1 1 1   -1   25    7 o  330.200  108.894   0.5769   0.3839   0.2609   0.5013   1.0251   0.5971  284.015  117.543  419.532  135.648 -135.5176 179.4900 
1 1 1   -1   25    8 o  203.547   91.904  -0.1159   0.3660  -0.1624   0.4632  -0.0386   0.5971  224.151  102.069  266.050  118.975 -41.89928 156.7581 
1 1 1   -1   25    9 o  731.450   74.539   2.6369   0.4947   2.1047   0.5842   3.9849   0.9298  633.662  103.792  858.227  121.104 -224.5649 159.4957 
1 1 1   -1   25   10 o  333.101  108.329   0.5739   0.3805   0.8800   0.5504   0.2939   0.5265  399.946  130.309  296.946  121.405 102.9998 178.1005 
1 1 1   -1   25   11 o  1045.92   62.880   5.2516   0.6024   5.7413   0.8514   4.7609   0.8523  1073.94   86.906  968.625   96.925 105.3118 130.1812 
1 1 1   -1   25   12 f  1185.12   60.476   6.7179   0.6573   8.2700   0.9642   5.3702   0.8984  1295.78   81.275  1030.01   95.896 265.7753 125.7049 
1 1 1   -1   25   13 o  562.219   97.305   1.6327   0.4852   1.8734   0.6900   1.3973   0.6823  577.718  132.610  490.505  142.624 87.21274 194.7480 
1 1 1   -1   25   14 o  271.368  116.266   0.1330   0.5184   1.6350   1.1645  -0.2383   0.5790  492.889  186.779  243.981  112.223 248.9086 217.9000 
1 1 1   -1   25   15 o  675.119  112.711   2.4760   0.6755   2.8052   1.3377   2.3633   0.7826  601.662  203.359  635.554  137.794 -33.89197 245.6461 
1 1 1   -1   25   16 o  886.443   94.019   4.1239   0.7552   3.0819   1.3630   4.5855   0.9071  605.701  205.270  915.334  109.901 -309.6337 232.8394 
1 1 1   -1   25   17 o  268.556  127.153  -0.3315   0.8359  -1.2200   1.1275   0.7528   1.2456  264.121  130.164  371.101  168.361 -106.9800 212.8104 
1 1 1   -1   25   18 o  265.884  117.089   0.1929   0.5564   0.5614   0.9394  -0.0062   0.6906  330.334  148.367  264.342  121.943 65.99197 192.0494 
1 1 1   -1   25   19 o  192.089   94.343  -0.7462   0.5760  -2.0913   0.8788   0.2670   0.7627  194.275   98.382  286.385  130.626 -92.11050 163.5303 
1 1 1   -1   27    1 o  340.053  119.485   0.6198   0.4632   1.2489   0.6575  -0.0003   0.6528  453.863  141.832  276.941  124.081 176.9226 188.4478 
1 1 1   -1   27    2 o  636.793   89.363   2.0877   0.5092   2.2794   0.6966   1.8677   0.7462  637.256  123.260  555.010  144.642 82.24628 190.0382 
1 1 1   -1   27    3 o  1053.09   79.751   5.5455   0.7671   5.7468   1.3169   5.4421   0.9437  980.533  150.784  1017.97  102.122 -37.44055 182.1123 
1 1 1   -1   27    4 o  353.713  119.343   0.6798   0.4607   1.3057   0.6144  -0.1245   0.6964  471.539  134.822  274.466  125.047 197.0732 183.8851 
1 1 1   -1   27    5 o  669.952   81.955   2.2590   0.4947   1.9533   0.6397   2.7137   0.7802  593.574  121.228  697.558  126.190 -103.9848 174.9863 
1 1 1   -1   27    6 o  321.509  114.739   0.5205   0.4287  -0.0322   0.5432   1.4336   0.6982  256.349  114.138  490.454  144.750 -234.1057 184.3371 
1 1 1   -1   27    7 o  288.685  109.867   0.3631   0.4040   0.7349   0.5405  -0.1075   0.6081  369.908  129.117  262.722  118.558 107.1863 175.2915 
1 1 1   -1   27    8 o  949.797   66.199   4.3671   0.5749   4.1644   0.7710   4.6209   0.8629  905.287   93.922  947.674  100.490 -42.38660 137.5485 
1 1 1   -1   27    9 o  559.730   93.384   1.6072   0.4640   1.9375   0.6356   1.2302   0.6790  597.153  119.833  459.536  144.227 137.6170 187.5141 
1 1 1   -1   27   10 o  366.911  113.207   0.7227   0.4204   0.0652   0.5121   2.0813   0.7362  262.553  114.032  605.962  135.433 -343.4088 177.0463 
1 1 1   -1   27   11 o  638.102   90.271   2.0770   0.5152   2.4952   0.7231   1.6455   0.7344  676.235  120.625  525.686  146.404 150.5485 189.6960 
1 1 1   -1   27   12 o  582.267   99.782   1.7823   0.5154   2.1620   0.7553   1.4513   0.7050  609.791  137.843  490.091  145.664 119.6996 200.5461 
1 1 1   -1   27   13 o  258.522  116.279  -0.0475   0.5793   3.2761   1.3242  -0.8342   0.6443  655.610  200.700  213.099  103.595 442.5111 225.8594 
1 1 1   -1   27   14 o  264.475  113.090   0.1748   0.4888   0.6253   0.6664  -0.3498   0.7191  344.621  138.136  254.842  119.821 89.77831 182.8622 
1 1 1   -1   27   15 o  793.931   92.479   3.3679   0.6629   2.7748   0.9182   4.0139   0.9582  638.876  157.246  812.795  132.698 -173.9191 205.7551 
1 1 1   -1   27   16 o  550.666  139.971   2.0297   0.7108   2.1229   0.8051   1.7003   1.5132  540.914  154.227  408.243  185.351 132.6709 241.1238 
1 1 1   -1   27   17 f  367.775  138.567   0.9918   0.6386   1.2720   0.9289   0.7407   0.8794  381.792  159.164  332.004  146.652 49.78809 216.4249 
1 1 1   -1   29    1 o  505.063  119.642   1.4158   0.5475   1.8526   0.7525   0.9246   0.7980  557.834  145.193  404.427  154.293 153.4081 211.8666 
1 1 1   -1   29    2 o  336.030  122.788   0.5733   0.4946   1.0525   0.6799   0.0348   0.7208  423.865  144.969  294.573  131.294 129.2920 195.5867 
1 1 1   -1   29    3 o  410.129  123.138   0.9416   0.5019   1.8485   0.6671  -0.2422   0.7621  571.468  129.809  278.031  128.204 293.4366 182.4464 
1 1 1   -1   29    4 o  883.002   76.286   3.8543   0.6137   3.8059   0.8043   3.9218   0.9496  852.385  104.747  843.554  126.224 8.831360 164.0257 
1 1 1   -1   29    5 o  656.026   91.105   2.2002   0.5351   2.8997   0.7277   1.3764   0.7896  738.235  110.521  473.443  156.168 264.7922 191.3199 
1 1 1   -1   29    6 o  396.287  121.057   0.8716   0.4821   0.4890   0.6151   1.4805   0.7761  333.196  133.015  491.236  154.188 -158.0403 203.6341 
1 1 1   -1   29    7 o  385.582  119.437   0.8221   0.4674   0.4672   0.6039   1.3521   0.7380  328.305  131.539  471.430  150.645 -143.1251 199.9917 
1 1 1   -1   29    8 o  466.993  116.983   1.2122   0.5016   0.7984   0.6485   1.8285   0.7915  380.088  140.334  545.323  152.029 -165.2351 206.8969 
1 1 1   -1   29    9 f  437.656  121.545   1.0881   0.5069   1.3352   0.6659   0.7476   0.7818  470.107  141.979  375.927  149.991 94.17917 206.5320 
1 1 1   -1   29   10 o  873.076   77.543   3.8213   0.6165   3.5990   0.8099   4.1274   0.9505  813.916  111.041  856.562  124.220 -42.64661 166.6152 
1 1 1   -1   29   11 o  401.182  124.153   0.9470   0.5052   1.3979   0.7193   0.5081   0.7096  465.188  148.730  333.634  139.105 131.5542 203.6440 
1 1 1   -1   29   12 o  275.649  125.675  -0.0111   0.7050   1.3277   1.3018  -0.5667   0.8386  418.592  181.809  257.267  123.336 161.3255 219.6960 
1 1 1   -1   29   13 o  845.794   89.868   3.8248   0.6887   3.8217   0.8725   3.8301   1.1218  801.728  122.122  724.559  171.014 77.16901 210.1415 
1 1 1   -1   29   14 o  183.560   89.476  -0.6137   0.4897  -0.6304   0.6386  -0.5897   0.7627  212.675  103.332  234.953  113.870 -22.27837 153.7657 
1 1 1   -1   29   15 o  393.069  147.894   1.2464   0.7270   1.0234   0.8216   2.0505   1.5601  356.966  149.329  394.585  182.466 -37.61890 235.7817 
1 1 1   -1   29   16 o  379.128  177.960   2.1576   1.5750   0.0000   0.0000   2.1576   1.5750  ?   ?   379.128  177.960 0.000000 177.9597 
1 1 1   -1   31    1 o  247.424  110.753  -0.0429   0.5188   0.6630   0.7143  -0.8310   0.7547  359.532  143.394  235.425  113.898 124.1075 183.1243 
1 1 1   -1   31    2 o  258.261  113.458   0.0529   0.5197   0.0429   0.6782   0.0670   0.8088  284.638  127.076  305.484  137.396 -20.84573 187.1524 
1 1 1   -1   31    3 o  324.024  126.594   0.5055   0.5465   0.7891   0.7454   0.1759   0.8036  377.002  147.693  313.914  139.348 63.08771 203.0546 
1 1 1   -1   31    4 o  265.908  114.958   0.1281   0.5157  -0.3696   0.6669   0.8678   0.8131  247.072  115.919  388.316  153.585 -141.2433 192.4200 
1 1 1   -1   31    5 o  284.767  118.613   0.2764   0.5152   0.3428   0.6626   0.1749   0.8195  312.252  132.544  313.724  139.902 -1.471527 192.7185 
1 1 1   -1   31    6 o  348.564  128.204   0.6739   0.5404   1.3567   0.7204  -0.2047   0.8172  459.750  149.040  281.864  130.941 177.8865 198.3899 
1 1 1   -1   31    7 o  201.997   96.079  -0.4290   0.4881  -0.6889   0.6047   0.0568   0.8267  210.749  101.957  300.709  136.710 -89.95972 170.5432 
1 1 1   -1   31    8 o  226.471  105.506  -0.2493   0.5366   0.2483   0.6625  -1.1990   0.9152  295.363  128.968  239.384  117.837 55.97964 174.6946 
1 1 1   -1   31    9 o  293.461  123.010   0.3597   0.5592   0.2370   0.6699   0.6415   1.0155  291.524  128.425  353.845  156.880 -62.32065 202.7425 
1 1 1   -1   31   10 o  250.923  117.566  -0.2054   0.6820  -0.7609   1.2314   0.0405   0.8192  286.278  140.049  286.623  132.428 -0.3456116 192.7456 
1 1 1   -1   31   11 o  222.380  107.148  -0.5044   0.6515  -0.5152   1.1389  -0.4991   0.7942  281.013  136.864  244.421  117.904 36.59235 180.6466 
1 1 1   -1   31   12 o  261.006  114.345   0.2396   0.5246   0.3301   0.6749   0.1014   0.8339  284.448  126.895  278.943  130.471 5.505249 182.0029 
1 1 1   -1   31   13 o  379.833  136.633   1.1166   0.6091   1.8729   0.8679   0.3826   0.8550  445.064  162.652  291.761  134.974 153.3034 211.3614 
1 1 1   -1   33    1 o  238.436  111.379  -0.2324   0.6044  -0.1412   0.6863  -0.5474   1.2759  259.135  120.250  303.191  147.020 -44.05551 189.9341 
1 1 1   -1   33    2 o  218.053  105.047  -0.5754   0.6256  -0.7559   0.7038   0.1037   1.3653  222.161  108.064  336.881  160.367 -114.7201 193.3788 
1 1 1   -1   33    3 o  458.991  147.359   1.4575   0.7056   1.0016   0.8037   2.9905   1.4737  382.138  152.198  529.840  207.641 -147.7029 257.4476 
1 1 1   -1   33    4 o  551.919  140.466   2.0019   0.7152   2.3617   0.8590   1.1895   1.2909  575.808  157.557  390.639  174.794 185.1691 235.3235 
1 1 1   -1   33    5 o  607.652  124.507   2.2661   0.6728   2.3682   0.8721   2.1160   1.0572  567.490  160.074  489.012  179.399 78.47830 240.4323 
1 1 1   -1   33    6 o  582.270  125.295   2.1193   0.6514   2.2040   0.8559   2.0026   1.0042  537.618  160.660  475.372  174.773 62.24542 237.3973 
1 1 1   -1   33    7 o  282.557  123.400   0.3246   0.6067  -0.4597   0.7712   1.5986   0.9829  241.629  116.462  420.083  167.984 -178.4545 204.4070 
1 1 1   -1   33    8 o  222.963  105.660  -0.2555   0.5797  -0.3937   0.7123   0.0156   0.9976  234.192  112.637  286.524  136.584 -52.33162 177.0374 
1 1 1   -1   33    9 o  345.692  144.927   0.9659   0.7765   0.5211   1.3924   1.1666   0.9354  317.647  153.925  358.279  154.862 -40.63193 218.3462 
1 1 1   -1   33   10 o  211.157  100.276  -0.2169   0.5276  -0.9603   0.6620   1.0769   0.8733  192.419   95.689  342.965  148.937 -150.5461 177.0268 
1 1 1   -1   33   11 o  197.223   96.799  -0.5962   0.6031  -0.5775   0.6546  -0.7014   1.5523  205.983  101.046  270.324  136.139 -64.34152 169.5412 
1 1 1   -1   35    1 o  239.283  112.725  -0.0872   0.6420  -0.3708   0.8334   0.3266   1.0069  244.196  118.507  293.842  139.249 -49.64679 182.8503 
1 1 1   -1   35    2 o  327.988  134.887   0.8150   0.6547   0.3470   0.8489   1.5017   1.0284  286.707  133.279  374.930  162.218 -88.22241 209.9469 
1 1 1   -1   35    3 o  273.030  121.800   0.3539   0.6218   0.0460   0.7703   0.9297   1.0534  259.582  122.648  327.053  150.778 -67.47043 194.3620 
1 1 1   -1   35    4 o  335.328  136.150   0.9108   0.6564   1.6203   0.8569  -0.0964   1.0210  400.823  157.943  267.763  130.226 133.0596 204.7066 
1 1 1   -1   35    5 o  287.433  128.618   0.5210   0.6990   0.6826   0.7800  -0.1386   1.5759  302.960  135.692  285.631  142.908 17.32889 197.0660 
1 1 1   -1   35    6 o  467.796  165.833   2.3052   0.8941   2.9450   1.0475   0.5873   1.7164  500.454  179.269  300.172  150.026 200.2819 233.7630 
1 1 1   -1   35    7 o  348.424  162.030   1.8242   1.2566   1.3286   1.7594   2.3402   1.7954  311.437  155.057  337.787  166.035 -26.35059 227.1795 
1 1 1   -1   35    8 o  285.242  138.475   0.5985   1.1406   0.4581   1.7342   0.7056   1.5142  285.596  143.839  290.368  144.450 -4.772247 203.8513 
1 1 1   -1   35    9 o  283.626  143.169   0.6117   1.7729   0.6117   1.7729   0.0000   0.0000  283.626  143.169  ?   ?  0.000000 143.1695 
1 1 1   -1   37    1 o  242.771  124.136  -1.2365   1.6832   0.0000   0.0000  -1.2365   1.6832  ?   ?   242.771  124.136 0.000000 124.1365 
1 1 1   -1   37    2 f  284.968  143.057   1.2239   1.6442   0.0000   0.0000   1.2239   1.6442  ?   ?   284.968  143.057 0.000000 143.0569 
1 1 1   -1   37    3 o  275.443  139.238   0.8490   1.7128   0.0000   0.0000   0.8490   1.7128  ?   ?   275.443  139.238 0.000000 139.2381 
1 1 1    0    0    3 o  822.863   27.204   3.1266   0.2055   3.1266   0.2055   3.1266   0.2055  822.863   27.204  822.863   27.204 0.000000 0.000000 
1 1 1    0    0    4 o  1571.27   27.841   11.375   0.4023   11.375   0.4023   11.375   0.4023  1571.27   27.841  1571.27   27.841 0.000000 0.000000 
1 1 1    0    0    5 o  1719.15   29.519   13.618   0.4666   13.618   0.4666   13.618   0.4666  1719.15   29.519  1719.15   29.519 0.000000 0.000000 
1 1 1    0    0    6 o  1734.90   31.594   13.873   0.5040   13.873   0.5040   13.873   0.5040  1734.90   31.594  1734.90   31.594 0.000000 0.000000 
1 1 1    0    0    7 o  2236.34   32.720   23.045   0.6730   23.045   0.6730   23.045   0.6730  2236.34   32.720  2236.34   32.720 0.000000 0.000000 
1 1 1    0    0    8 o  1670.45   35.208   12.866   0.5406   12.866   0.5406   12.866   0.5406  1670.45   35.208  1670.45   35.208 0.000000 0.000000 
1 1 1    0    0    9 o  1666.70   36.372   12.809   0.5572   12.809   0.5572   12.809   0.5572  1666.70   36.372  1666.70   36.372 0.000000 0.000000 
1 1 1    0    0   10 o  466.145   91.101   1.1115   0.3480   1.1115   0.3480   1.1115   0.3480  466.145   91.101  466.145   91.101 0.000000 0.000000 
1 1 1    0    0   11 o  2264.82   38.679   23.658   0.8056   23.658   0.8056   23.658   0.8056  2264.82   38.679  2264.82   38.679 0.000000 0.000000 
1 1 1    0    0   12 o  963.856   67.066   4.3694   0.5882   4.3694   0.5882   4.3694   0.5882  963.856   67.066  963.856   67.066 0.000000 0.000000 
1 1 1    0    0   13 o  935.960   50.043   4.0904   0.4282   4.0904   0.4282   4.0904   0.4282  935.960   50.043  935.960   50.043 0.000000 0.000000 
1 1 1    0    0   14 o  1024.20   50.431   4.9022   0.4726   4.9022   0.4726   4.9022   0.4726  1024.20   50.431  1024.20   50.431 0.000000 0.000000 
1 1 1    0    0   15 o  1523.41   47.334   10.808   0.6621   10.808   0.6621   10.808   0.6621  1523.41   47.334  1523.41   47.334 0.000000 0.000000 
1 1 1    0    0   16 o  739.623   65.633   2.6247   0.4386   2.6247   0.4386   2.6247   0.4386  739.623   65.633  739.623   65.633 0.000000 0.000000 
1 1 1    0    0   17 o  870.198   62.968   3.6024   0.4981   3.6024   0.4981   3.6024   0.4981  870.198   62.968  870.198   62.968 0.000000 0.000000 
1 1 1    0    0   18 o  740.768   69.555   2.6451   0.4645   2.6451   0.4645   2.6451   0.4645  740.768   69.555  740.768   69.555 0.000000 0.000000 
1 1 1    0    0   19 o  594.700   85.150   1.7696   0.4383   1.7696   0.4383   1.7696   0.4383  594.700   85.150  594.700   85.150 0.000000 0.000000 
1 1 1    0    0   20 o  699.151   82.730   2.3962   0.5126   2.3962   0.5126   2.3962   0.5126  699.151   82.730  699.151   82.730 0.000000 0.000000 
1 1 1    0    0   21 o  309.909  165.561   0.7133   0.6440   0.7133   0.6440   0.7133   0.6440  309.909  165.561  309.909  165.561 0.000000 0.000000 
1 1 1    0    0   22 o  936.781   72.380   4.1911   0.6153   4.1911   0.6153   4.1911   0.6153  936.781   72.380  936.781   72.380 0.000000 0.000000 
1 1 1    0    0   23 f  189.337  128.245  -0.2304   0.6634  -0.2304   0.6634  -0.2304   0.6634  189.337  128.245  189.337  128.245 0.000000 0.000000 
1 1 1    0    0   24 o  835.100   89.077   3.4618   0.6649   3.4618   0.6649   3.4618   0.6649  835.100   89.077  835.100   89.077 0.000000 0.000000 
1 1 1    0    0   25 o  182.640  120.822  -0.0135   0.5300  -0.0135   0.5300  -0.0135   0.5300  182.640  120.822  182.640  120.822 0.000000 0.000000 
1 1 1    0    2    2 o  3650.54   23.917   61.349   0.8034   61.069   1.1336   61.631   1.1388  3641.15   33.833  3657.85   33.835 -16.69458 47.84848 
1 1 1    0    2    3 o  2655.02   19.516   32.445   0.4768   32.737   0.7309   32.229   0.6291  2666.20   29.791  2645.75   25.839 20.44995 39.43564 
1 1 1    0    2    4 o  3047.64   19.527   42.752   0.5476   43.001   0.7808   42.512   0.7682  3055.78   27.768  3038.37   27.477 17.40942 39.06469 
1 1 1    0    2    5 o  1713.51   21.137   13.517   0.3333   13.354   0.4700   13.682   0.4727  1702.62   29.997  1723.38   29.807 -20.75916 42.28835 
1 1 1    0    2    6 o  1645.31   22.498   12.465   0.3406   12.694   0.4846   12.241   0.4788  1659.69   31.735  1629.81   31.926 29.87512 45.01476 
1 1 1    0    2    7 o  3048.93   22.672   42.804   0.6361   42.073   0.8851   43.585   0.9147  3021.58   31.836  3075.31   32.322 -53.73291 45.36786 
1 1 1    0    2    8 o  1978.39   24.274   18.022   0.4419   18.456   0.6318   17.606   0.6183  2001.30   34.306  1954.67   34.377 46.63416 48.56682 
1 1 1    0    2    9 o  1434.07   26.406   9.4698   0.3484   9.7969   0.5008   9.1629   0.4851  1458.02   37.330  1410.04   37.388 47.97498 52.83349 
1 1 1    0    2   10 o  353.015   72.152   0.5984   0.2265   0.7395   0.3366   0.4817   0.3061  390.744   94.618  319.960   96.184 70.78406 134.9215 
1 1 1    0    2   11 f  2341.84   27.307   25.274   0.5884   26.233   0.8521   24.401   0.8136  2383.79   38.849  2299.12   38.456 84.66455 54.66357 
1 1 1    0    2   12 o  300.505   87.663   0.4360   0.2574   0.1516   0.3577   0.7413   0.3707  250.851  100.974  387.100  102.459 -136.2490 143.8521 
1 1 1    0    2   13 o  870.990   36.314   3.5140   0.2910   4.1546   0.4284   2.9648   0.3967  943.066   49.536  794.882   54.562 148.1841 73.69427 
1 1 1    0    2   14 o  999.613   36.185   4.6382   0.3328   4.6017   0.4682   4.6755   0.4732  989.907   51.579  997.774   51.723 -7.867188 73.04548 
1 1 1    0    2   15 o  666.206   46.757   2.0887   0.2848   1.9087   0.4042   2.2662   0.4014  627.488   71.264  687.470   64.199 -59.98175 95.91661 
1 1 1    0    2   16 o  505.503   57.249   1.2251   0.2616   1.3092   0.3875   1.1545   0.3546  511.006   85.417  480.181   83.278 30.82452 119.2953 
1 1 1    0    2   17 o  970.911   41.282   4.4058   0.3688   4.2721   0.5241   4.5370   0.5191  945.882   60.535  976.289   58.043 -30.40686 83.86572 
1 1 1    0    2   18 o  677.454   52.049   2.1748   0.3220   2.1612   0.4500   2.1892   0.4608  665.236   74.820  668.852   76.240 -3.615723 106.8205 
1 1 1    0    2   19 o  351.720   87.901   0.6283   0.2837   0.1285   0.3931   1.1713   0.4098  249.444  103.731  479.233   96.267 -229.7892 141.5185 
1 1 1    0    2   20 o  666.383   60.679   2.1140   0.3680   2.2477   0.5432   2.0007   0.5003  674.463   89.750  636.776   87.715 37.68762 125.4948 
1 1 1    0    2   21 o  151.521   74.063  -0.6127   0.3422  -0.9155   0.4747  -0.2850   0.4938  173.176   85.173  225.722  103.756 -52.54683 134.2376 
1 1 1    0    2   22 f  987.766   51.681   4.5932   0.4681   4.6320   0.6411   4.5488   0.6851  981.931   71.444  969.474   77.444 12.45697 105.3647 
1 1 1    0    2   23 o  250.749  110.393  -0.0250   0.4943   0.5498   0.7689  -0.4299   0.6453  365.596  147.732  246.380  115.087 119.2162 187.2694 
1 1 1    0    2   24 o  645.553   77.665   2.0751   0.4521   1.9134   0.6287   2.2482   0.6506  590.362  119.824  646.366  113.524 -56.00421 165.0619 
1 1 1    0    2   25 o  212.383   95.078  -0.0567   0.3824   0.3008   0.5487  -0.3945   0.5333  290.941  121.894  215.824  101.999 75.11705 158.9397 
1 1 1    0    4    0 o  976.844   34.343   4.3929   0.3087   4.4616   0.4407   4.3268   0.4325  984.147   48.668  967.937   48.716 16.21057 68.86134 
1 1 1    0    4    1 o  2329.02   23.731   24.971   0.5086   24.838   0.7171   25.106   0.7213  2322.12   33.562  2334.58   33.579 -12.46021 47.47560 
1 1 1    0    4    2 o  1038.77   25.385   4.9680   0.2426   5.0753   0.3456   4.8638   0.3407  1049.56   35.785  1027.44   36.041 22.11584 50.78891 
1 1 1    0    4    3 o  935.572   27.643   4.0307   0.2380   4.0642   0.3377   3.9976   0.3354  939.033   39.080  931.305   39.141 7.727600 55.31062 
1 1 1    0    4    4 o  1884.71   28.412   16.360   0.4927   16.616   0.7028   16.113   0.6910  1898.36   40.236  1869.44   40.167 28.91431 56.85395 
1 1 1    0    4    5 o  1406.68   24.902   9.1126   0.3223   9.0992   0.4587   9.1256   0.4531  1404.96   35.478  1407.03   34.995 -2.068237 49.83295 
1 1 1    0    4    6 o  740.356   28.280   2.5252   0.1927   2.9241   0.2939   2.2245   0.2551  795.141   40.298  693.260   40.167 101.8812 56.89681 
1 1 1    0    4    7 o  1962.90   24.919   17.743   0.4501   17.618   0.6876   17.838   0.5953  1954.70   38.231  1967.41   32.885 -12.70996 50.42883 
1 1 1    0    4    8 o  1209.98   27.567   6.7423   0.3069   5.9902   0.4515   7.3886   0.4185  1139.72   43.051  1266.23   35.920 -126.5079 56.06807 
1 1 1    0    4    9 o  163.837   67.717   0.0332   0.1661   0.2568   0.2581  -0.1248   0.2170  251.991   89.119  155.472   70.429 96.51913 113.5889 
1 1 1    0    4   10 o  712.018   39.090   2.3451   0.2551   2.0871   0.3432   2.6638   0.3814  669.509   56.235  757.106   55.124 -87.59686 78.74702 
1 1 1    0    4   11 o  1830.58   28.144   15.449   0.4741   15.648   0.6739   15.254   0.6670  1840.48   39.794  1817.13   39.889 23.34583 56.34443 
1 1 1    0    4   12 o  843.151   45.160   3.3072   0.3491   2.9984   0.5293   3.5451   0.4644  795.489   73.126  869.878   58.363 -74.38953 93.56091 
1 1 1    0    4   13 o  245.542   75.697   0.2870   0.1880   0.2548   0.2667   0.3187   0.2650  249.142   90.305  265.646   90.511 -16.50368 127.8558 
1 1 1    0    4   14 o  597.420   45.994   1.6765   0.2509   2.0741   0.3650   1.3205   0.3454  660.120   60.780  520.944   74.149 139.1758 95.87683 
1 1 1    0    4   15 o  915.986   40.005   3.9135   0.3372   3.8631   0.4756   3.9644   0.4781  901.837   57.611  913.853   57.147 -12.01624 81.14669 
1 1 1    0    4   16 o  580.029   52.882   1.6004   0.2791   2.0656   0.4134   1.2104   0.3785  652.049   69.993  489.928   87.144 162.1208 111.7723 
1 1 1    0    4   17 o  474.543   63.797   1.0921   0.2715   0.8432   0.3742   1.3691   0.3946  401.888  101.229  522.832   84.944 -120.9440 132.1466 
1 1 1    0    4   18 o  172.225   76.882  -0.0773   0.2482  -0.1437   0.3469  -0.0076   0.3552  196.794   89.108  217.777   94.778 -20.98218 130.0891 
1 1 1    0    4   19 o  559.000   63.050   1.5018   0.3186   1.2357   0.4584   1.7505   0.4432  488.603  105.089  595.234   83.193 -106.6313 134.0332 
1 1 1    0    4   20 o  473.922   87.296   1.1194   0.3667   1.4042   0.5355   0.8680   0.5031  519.521  115.045  407.681  123.480 111.8397 168.7681 
1 1 1    0    4   21 o  430.036   94.647   0.9360   0.3644   1.0221   0.4976   0.8363   0.5351  441.415  119.549  401.834  128.255 39.58185 175.3316 
1 1 1    0    4   22 o  908.564   53.401   3.8961   0.4445   3.0206   0.5969   4.9860   0.6660  784.945   83.943  1018.38   71.520 -233.4391 110.2794 
1 1 1    0    4   23 o  372.968  123.027   0.7328   0.4901   0.6570   0.6627   0.8243   0.7279  369.267  140.675  398.358  148.360 -29.09033 204.4512 
1 1 1    0    4   24 o  444.118   99.620   1.0479   0.3971   1.2176   0.5777   0.8960   0.5467  459.838  130.488  397.805  129.877 62.03397 184.1059 
1 1 1    0    4   25 o  256.016  104.995   0.2270   0.3953   0.8458   0.5911  -0.2736   0.5316  376.364  134.688  224.722  104.800 151.6417 170.6573 
1 1 1    0    6    0 o  1980.04   36.202   18.052   0.6596   17.861   0.9270   18.248   0.9387  1968.75   51.169  1989.97   51.266 -21.21826 72.43206 
1 1 1    0    6    1 o  1581.35   25.928   11.515   0.3773   11.001   0.5224   12.074   0.5455  1545.07   36.744  1618.66   36.623 -73.58618 51.87851 
1 1 1    0    6    2 o  595.693   29.176   1.6344   0.1599   1.4952   0.2224   1.7833   0.2301  567.804   42.886  620.615   40.517 -52.81122 58.99896 
1 1 1    0    6    3 o  1788.41   27.348   14.731   0.4501   15.050   0.6426   14.424   0.6305  1806.72   38.655  1768.74   38.739 37.98254 54.72586 
1 1 1    0    6    4 o  1168.83   29.934   6.2944   0.3219   6.5851   0.4620   6.0199   0.4489  1194.69   42.022  1142.22   42.713 52.47156 59.91917 
1 1 1    0    6    5 o  2219.56   34.928   22.712   0.7134   22.629   1.2315   22.754   0.8751  2210.98   60.531  2220.46   42.832 -9.482666 74.15255 
1 1 1    0    6    6 o  1297.69   33.216   7.7613   0.3966   7.8005   0.5676   7.7240   0.5544  1299.78   47.462  1293.47   46.582 6.307373 66.50203 
1 1 1    0    6    7 o  2247.59   29.666   23.269   0.6135   23.629   0.8038   22.766   0.9497  2264.01   38.584  2221.28   46.462 42.72852 60.39455 
1 1 1    0    6    8 o  1622.70   28.942   12.127   0.4322   11.968   0.6127   12.285   0.6096  1611.16   41.327  1632.40   40.585 -21.23718 57.92341 
1 1 1    0    6    9 o  1991.48   32.647   18.274   0.5983   18.560   0.9596   18.092   0.7651  2004.76   52.020  1980.57   41.984 24.18323 66.84894 
1 1 1    0    6   10 o  1694.01   34.308   13.234   0.5348   13.385   0.8455   13.134   0.6905  1700.63   54.029  1686.22   44.500 14.40942 69.99599 
1 1 1    0    6   11 o  264.896   76.368   0.3363   0.1964   0.3792   0.2748   0.2916   0.2807  286.167   91.973  263.660   92.978 22.50760 130.7819 
1 1 1    0    6   12 o  773.834   45.554   2.7914   0.3229   2.8820   0.5030   2.7278   0.4212  779.281   70.916  761.127   60.651 18.15424 93.31441 
1 1 1    0    6   13 o  128.561   60.690  -0.2058   0.1879  -0.5028   0.2737   0.0587   0.2583  135.335   66.169  201.791   84.012 -66.45613 106.9405 
1 1 1    0    6   14 f  459.550   58.670   1.0126   0.2424   1.0088   0.3556   1.0158   0.3314  447.631   89.451  451.818   82.764 -4.187408 121.8665 
1 1 1    0    6   15 o  791.392   42.191   2.9359   0.3061   2.9668   0.4396   2.9068   0.4266  787.654   61.134  780.211   59.871 7.442688 85.56842 
1 1 1    0    6   16 o  278.032   85.210   0.3848   0.2386   0.4738   0.3518   0.3089   0.3247  309.595  104.289  268.135   99.244 41.45999 143.9639 
1 1 1    0    6   17 o  527.205   58.640   1.3346   0.2797   1.3376   0.4000   1.3317   0.3911  515.314   87.489  515.125   85.511 0.1898193 122.3379 
1 1 1    0    6   18 o  424.891   75.214   0.8949   0.2833   1.0965   0.4124   0.7147   0.3899  460.317  100.203  369.774  107.896 90.54300 147.2485 
1 1 1    0    6   19 o  543.962   60.719   1.4179   0.2987   1.1654   0.4330   1.6474   0.4127  475.910  101.943  579.074   79.553 -103.1641 129.3103 
1 1 1    0    6   20 o  992.963   56.949   4.6569   0.5182   3.9981   0.8018   5.1294   0.6790  896.781   98.807  1034.55   71.770 -137.7641 122.1218 
1 1 1    0    6   21 f  333.074  105.575   0.5532   0.3630   0.5767   0.5186   0.5306   0.5084  350.210  126.065  340.762  124.497 9.447754 177.1783 
1 1 1    0    6   22 o  609.387   80.135   1.8248   0.4385   1.2922   0.6204   2.3562   0.6198  485.898  134.282  681.304  101.995 -195.4067 168.6259 
1 1 1    0    6   23 o  274.082  107.120   0.2872   0.3914   0.0855   0.5842   0.4515   0.5272  280.660  121.846  322.180  124.767 -41.52029 174.3941 
1 1 1    0    6   24 o  482.587   94.399   1.2238   0.4042   0.4837   0.5498   2.0943   0.5962  322.661  126.711  624.200  107.694 -301.5390 166.2940 
1 1 1    0    6   25 o  224.144   98.162   0.0364   0.3863  -0.2983   0.5618   0.3366   0.5321  227.852  106.739  290.806  120.783 -62.95474 161.1888 
1 1 1    0    8    0 o  3069.45   38.504   43.397   1.0875   43.234   1.5300   43.563   1.5461  3061.95   54.302  3073.51   54.668 -11.55957 77.05426 
1 1 1    0    8    1 f  719.312   30.988   2.3841   0.2051   2.3087   0.2875   2.4623   0.2927  705.892   44.492  729.152   43.827 -23.26019 62.45252 
1 1 1    0    8    2 o  1358.60   28.492   8.5034   0.3562   8.3779   0.5008   8.6320   0.5067  1347.62   40.383  1367.92   40.258 -20.29993 57.02227 
1 1 1    0    8    3 o  1126.87   29.768   5.8511   0.3087   5.9371   0.4379   5.7661   0.4352  1134.28   41.953  1117.80   42.309 16.48035 59.58231 
1 1 1    0    8    4 o  912.887   32.247   3.8409   0.2709   3.9896   0.3900   3.7023   0.3765  929.567   45.590  894.294   45.913 35.27344 64.70247 
1 1 1    0    8    5 o  2223.60   35.560   22.793   0.7276   23.403   1.2786   22.501   0.8848  2248.67   61.796  2208.22   43.544 40.45142 75.59666 
1 1 1    0    8    6 o  639.769   39.866   1.8944   0.2335   2.1392   0.3441   1.6854   0.3180  678.221   55.625  601.114   58.213 77.10767 80.51637 
1 1 1    0    8    7 o  1404.20   35.277   9.0859   0.4558   9.0369   0.6519   9.1328   0.6376  1399.26   50.630  1406.79   49.254 -7.527832 70.63530 
1 1 1    0    8    8 o  3617.23   39.890   60.328   1.3277   63.047   2.4502   59.198   1.5798  3688.84   72.184  3581.48   47.937 107.3591 86.65138 
1 1 1    0    8    9 o  1962.72   33.158   17.759   0.5988   17.627   0.7724   17.959   0.9482  1954.06   42.956  1970.80   52.287 -16.73865 67.66944 
1 1 1    0    8   10 o  1263.41   40.408   7.3777   0.4698   7.3466   0.6563   7.4104   0.6727  1257.95   56.699  1263.16   57.874 -5.211792 81.01955 
1 1 1    0    8   11 o  255.217   80.880   0.3045   0.2131   0.2855   0.2783   0.3313   0.3313  260.525   92.495  281.334  100.819 -20.80923 136.8198 
1 1 1    0    8   12 o  242.703   82.941   0.2626   0.2225   0.0371   0.3418   0.4284   0.2932  224.347   95.216  298.764   94.894 -74.41666 134.4284 
1 1 1    0    8   13 o  483.636   54.839   1.1125   0.2397   1.4024   0.3776   0.9169   0.3103  535.219   79.058  430.047   81.388 105.1714 113.4647 
1 1 1    0    8   14 o  730.273   44.814   2.5051   0.2997   2.1832   0.4510   2.7596   0.4010  669.468   74.470  761.612   57.651 -92.14307 94.17760 
1 1 1    0    8   15 o  980.199   42.013   4.4949   0.3789   4.7788   0.5919   4.2978   0.4933  997.480   64.842  950.515   56.653 46.96533 86.10484 
1 1 1    0    8   16 o  745.769   48.712   2.6279   0.3324   3.7426   0.5552   2.0047   0.4151  879.473   69.163  641.039   71.592 238.4343 99.54340 
1 1 1    0    8   17 o  543.200   60.996   1.4208   0.2996   1.5751   0.4622   1.3089   0.3935  556.792   93.523  509.799   87.004 46.99277 127.7349 
1 1 1    0    8   18 o  393.821   84.513   0.7839   0.2971   0.9727   0.4632   0.6519   0.3872  427.425  115.176  354.824  108.514 72.60025 158.2428 
1 1 1    0    8   19 o  1253.39   44.130   7.3389   0.5090   7.4097   0.7502   7.2785   0.6928  1246.51   65.637  1239.88   60.724 6.629639 89.41870 
1 1 1    0    8   20 o  1184.95   46.489   6.5621   0.5069   5.9093   0.7287   7.1742   0.7056  1110.59   71.688  1229.81   62.557 -119.2123 95.14496 
1 1 1    0    8   21 o  358.222  108.384   0.6562   0.3878   0.9239   0.5609   0.4111   0.5367  417.683  131.079  322.958  125.655 94.72513 181.5793 
1 1 1    0    8   22 o  302.255  108.622   0.4225   0.3849  -0.2704   0.5153   1.2964   0.5787  230.229  105.890  487.661  127.518 -257.4317 165.7520 
1 1 1    0    8   23 o  454.140  106.839   1.1033   0.4390   1.6240   0.6634   0.6976   0.5856  533.266  135.048  365.551  133.602 167.7156 189.9672 
1 1 1    0    8   24 o  298.629  110.934   0.4394   0.4065   0.2467   0.5732   0.6343   0.5765  289.273  123.049  345.030  131.261 -55.75674 179.9178 
1 1 1    0    8   25 o  427.813  114.928   1.0753   0.4621   0.6021   0.6773   1.4873   0.6320  335.218  137.449  483.639  136.209 -148.4207 193.5072 
1 1 1    0   10    0 o  734.757   48.161   2.4994   0.3238   2.2949   0.4590   2.7020   0.4569  701.029   72.189  762.136   65.795 -61.10706 97.67368 
1 1 1    0   10    1 o  1514.63   30.295   10.571   0.4222   10.457   0.5940   10.688   0.6002  1505.23   42.890  1521.79   42.866 -16.56042 60.63814 
1 1 1    0   10    2 o  1378.61   30.692   8.7578   0.3893   8.7967   0.5506   8.7189   0.5507  1380.59   43.338  1374.46   43.540 6.137207 61.43199 
1 1 1    0   10    3 o  1442.07   30.806   9.5820   0.4088   9.5126   0.5729   9.6539   0.5834  1435.79   43.365  1446.37   43.837 -10.57996 61.66214 
1 1 1    0   10    4 o  1224.06   32.248   6.9036   0.3632   7.1098   0.5156   6.7004   0.5118  1241.33   45.139  1204.98   46.158 36.34668 64.56041 
1 1 1    0   10    5 o  749.471   37.967   2.5958   0.2610   2.2111   0.3644   3.0010   0.3740  689.331   57.986  804.704   50.766 -115.3730 77.06816 
1 1 1    0   10    6 o  1148.34   35.557   6.0769   0.3757   6.4011   0.5435   5.7801   0.5200  1177.63   50.155  1119.02   50.498 58.60645 71.17331 
1 1 1    0   10    7 o  2237.30   40.298   23.083   0.8296   22.660   1.4717   23.280   1.0044  2211.03   72.337  2245.63   48.607 -34.60547 87.15124 
1 1 1    0   10    8 o  1639.44   37.178   12.399   0.5609   12.524   0.8035   12.279   0.7833  1645.48   53.066  1629.45   52.239 16.02808 74.46423 
1 1 1    0   10    9 o  935.962   49.595   4.0692   0.4256   4.9945   0.7718   3.6649   0.5102  1029.15   82.184  885.448   63.031 143.7051 103.5718 
1 1 1    0   10   10 f  1285.49   44.199   7.6638   0.5228   7.6184   0.5980   7.8115   1.0771  1280.04   50.769  1277.90   92.222 2.146973 105.2730 
1 1 1    0   10   11 o  1065.16   40.622   5.2666   0.3981   5.8177   0.5348   4.5812   0.5964  1116.32   52.059  984.146   66.244 132.1703 84.25227 
1 1 1    0   10   12 o  339.531   97.009   0.5807   0.3182   0.1392   0.3947   1.4002   0.5377  253.570  104.561  519.634  115.462 -266.0645 155.7703 
1 1 1    0   10   13 o  437.433   68.730   0.9344   0.2675   1.1234   0.3749   0.7383   0.3819  472.024   89.597  377.075  105.764 94.94919 138.6133 
1 1 1    0   10   14 o  711.900   47.379   2.3912   0.3086   1.7251   0.4506   2.9794   0.4235  587.218   85.945  789.941   58.676 -202.7230 104.0643 
1 1 1    0   10   15 o  685.139   49.561   2.2228   0.3103   2.7038   0.4798   1.8767   0.4070  745.489   70.787  619.066   72.835 126.4232 101.5661 
1 1 1    0   10   16 o  657.481   53.864   2.0577   0.3230   2.1271   0.4954   2.0063   0.4261  653.341   84.367  640.055   73.685 13.28632 112.0150 
1 1 1    0   10   17 o  426.855   78.934   0.9109   0.2986   1.0318   0.4689   0.8285   0.3873  438.946  114.790  397.059  104.563 41.88669 155.2744 
1 1 1    0   10   18 o  245.672   93.135   0.2337   0.2896  -0.1542   0.4456   0.5174   0.3811  224.536  101.393  323.426  108.540 -98.88989 148.5308 
1 1 1    0   10   19 o  781.201   66.381   2.9208   0.4726   3.2089   0.7892   2.7596   0.5902  793.075  111.203  748.844   87.290 44.23096 141.3712 
1 1 1    0   10   20 o  613.031   67.728   1.8079   0.3757   1.1034   0.5413   2.4624   0.5217  455.412  125.266  710.195   81.304 -254.7826 149.3382 
1 1 1    0   10   21 o  514.464  106.109   1.3693   0.4856   1.4586   0.9201   1.3347   0.5718  501.384  168.655  498.301  124.932 3.083313 209.8868 
1 1 1    0   10   22 o  212.740   96.206  -0.1428   0.4029   0.4987   0.8791  -0.3134   0.4533  368.018  154.242  208.820   97.179 159.1977 182.3029 
1 1 1    0   10   23 o  299.123  113.956   0.4093   0.4349  -0.1379   0.7721   0.6635   0.5263  286.276  130.907  352.841  127.006 -66.56473 182.3929 
1 1 1    0   10   24 o  250.323  104.830   0.1830   0.4055  -0.0351   0.6250   0.3415   0.5330  263.464  119.423  292.841  121.194 -29.37769 170.1461 
1 1 1    0   12    0 o  1789.27   45.548   14.750   0.7499   15.821   1.1070   13.842   1.0194  1851.71   64.972  1732.14   63.960 119.5677 91.17149 
1 1 1    0   12    1 o  1493.88   32.817   10.283   0.4511   10.228   0.6372   10.337   0.6388  1488.82   46.509  1496.75   46.379 -7.932861 65.68179 
1 1 1    0   12    2 o  651.086   39.639   1.9616   0.2363   1.8960   0.3309   2.0300   0.3377  638.072   56.961  660.513   56.089 -22.44067 79.94047 
1 1 1    0   12    3 o  1215.44   33.833   6.8069   0.3784   6.2134   0.5143   7.5075   0.5587  1160.35   48.167  1275.52   47.605 -115.1697 67.72216 
1 1 1    0   12    4 o  1609.27   33.260   11.933   0.4925   12.133   0.6937   11.729   0.6993  1621.61   46.492  1594.22   47.673 27.38257 66.59008 
1 1 1    0   12    5 o  2581.19   32.884   30.700   0.7810   29.611   1.0693   31.946   1.1435  2533.16   45.875  2630.86   47.237 -97.70557 65.84696 
1 1 1    0   12    6 o  2076.82   40.409   19.899   0.7722   20.088   1.3707   19.811   0.9347  2080.54   71.599  2070.88   49.050 9.659424 86.78864 
1 1 1    0   12    7 o  910.495   50.316   3.8475   0.4199   3.8103   0.7681   3.8634   0.5015  896.315   94.552  910.680   60.187 -14.36511 112.0826 
1 1 1    0   12    8 o  972.359   42.276   4.3749   0.3783   4.2263   0.5375   4.5206   0.5324  950.717   61.776  984.055   59.071 -33.33765 85.47305 
1 1 1    0   12    9 o  414.929  100.928   0.8589   0.3817   0.6570   0.4879   1.1773   0.6127  370.992  122.772  479.421  133.791 -108.4288 181.5845 
1 1 1    0   12   10 o  923.239   47.694   3.9818   0.4038   3.4725   0.5569   4.5462   0.5863  853.859   71.543  980.346   65.368 -126.4872 96.90954 
1 1 1    0   12   11 o  900.089   50.574   3.8055   0.4172   3.9494   0.5920   3.6636   0.5880  907.895   71.441  873.040   73.883 34.85553 102.7739 
1 1 1    0   12   12 o  889.252   59.926   3.7638   0.4875   3.4747   0.5954   4.3519   0.8491  844.894   77.445  929.386  100.911 -84.49200 127.2039 
1 1 1    0   12   13 o  777.848   52.431   2.8689   0.3731   3.0729   0.4959   2.6028   0.5664  797.099   68.265  722.386   86.953 74.71277 110.5482 
1 1 1    0   12   14 o  1080.89   47.100   5.4963   0.4685   5.4486   0.6047   5.5678   0.7408  1066.11   61.912  1067.07   75.940 -0.9564209 97.97923 
1 1 1    0   12   15 o  252.288   95.517   0.2572   0.3044   0.4322   0.4119   0.0467   0.4517  305.262  111.979  248.662  107.547 56.60013 155.2596 
1 1 1    0   12   16 o  279.566   96.803   0.3713   0.3035   0.6714   0.4399   0.0986   0.4194  358.134  116.483  248.901  105.539 109.2325 157.1838 
1 1 1    0   12   17 o  472.947   98.684   1.1545   0.4156   1.2506   0.7513   1.1121   0.4988  467.595  152.232  454.830  118.135 12.76559 192.6929 
1 1 1    0   12   18 f  229.877   96.070   0.0902   0.3396  -0.4346   0.7192   0.2409   0.3853  263.555  122.568  267.337  105.723 -3.781219 161.8653 
1 1 1    0   12   19 o  245.229  101.365   0.1279   0.3722   0.0089   0.6180   0.1957   0.4662  284.073  124.288  277.072  113.871 7.001221 168.5655 
1 1 1    0   12   20 o  207.092   89.946  -0.0127   0.3186   0.8022   0.5189  -0.5059   0.4037  391.829  126.431  179.079   85.777 212.7501 152.7823 
1 1 1    0   12   21 f  281.207  115.055   0.2321   0.4733  -0.1356   0.6113   0.7823   0.7477  264.566  119.179  394.768  149.651 -130.2012 191.3087 
1 1 1    0   12   22 o  296.379  107.884   0.4158   0.3813   0.4786   0.5622   0.3623   0.5188  327.468  128.273  304.258  121.912 23.21008 176.9641 
1 1 1    0   12   23 o  462.424  113.648   1.2024   0.4801   1.7548   0.7882   0.8765   0.6054  521.945  153.733  385.906  136.499 136.0384 205.5865 
1 1 1    0   12   24 o  386.124  113.063   0.8750   0.4274   1.4683   0.6804   0.4882   0.5494  470.335  143.844  311.011  125.157 159.3237 190.6706 
1 1 1    0   14    0 f  616.434   64.122   1.7724   0.3584   2.0137   0.5181   1.5509   0.4963  653.864   88.372  570.679   98.044 83.18463 131.9933 
1 1 1    0   14    1 o  1117.12   37.095   5.7535   0.3813   5.9345   0.5421   5.5763   0.5364  1133.43   51.982  1098.60   53.063 34.83655 74.28173 
1 1 1    0   14    2 o  1933.31   34.209   17.228   0.6086   17.212   0.8558   17.244   0.8656  1930.70   48.170  1932.41   48.679 -1.709595 68.48409 
1 1 1    0   14    3 o  755.223   41.612   2.6397   0.2881   2.5790   0.3980   2.7066   0.4175  744.283   58.582  762.359   59.999 -18.07617 83.85520 
1 1 1    0   14    4 o  948.987   39.459   4.1561   0.3446   3.9828   0.4899   4.3258   0.4847  925.600   57.811  965.262   54.798 -39.66223 79.65499 
1 1 1    0   14    5 o  923.485   47.625   3.9558   0.4033   4.4790   0.7583   3.7494   0.4763  974.479   85.433  897.230   57.998 77.24902 103.2598 
1 1 1    0   14    6 o  710.242   45.771   2.3456   0.2975   2.0257   0.4117   2.6952   0.4304  655.131   69.358  758.338   62.233 -103.2076 93.18514 
1 1 1    0   14    7 o  613.286   51.750   1.7613   0.2893   1.7595   0.4244   1.7628   0.3954  606.412   77.850  608.651   72.003 -2.238159 106.0430 
1 1 1    0   14    8 o  1408.24   57.378   9.2777   0.7435   9.5257   0.9976   8.9679   1.1152  1415.76   76.865  1366.06   89.207 49.70728 117.7545 
1 1 1    0   14    9 o  1123.94   52.239   5.9106   0.5403   5.6288   0.6346   6.6523   1.0297  1090.78   63.505  1165.61   96.879 -74.82861 115.8380 
1 1 1    0   14   10 o  654.586   55.435   2.0303   0.3308   1.7519   0.4554   2.3409   0.4812  595.871   85.516  694.514   76.562 -98.64368 114.7817 
1 1 1    0   14   11 o  684.782   67.058   2.2619   0.4171   2.5296   0.5407   1.8684   0.6555  715.702   83.686  589.847  124.674 125.8548 150.1559 
1 1 1    0   14   12 o  543.743   83.514   1.4802   0.4045   1.4008   0.7032   1.5195   0.4945  492.897  145.221  540.167  103.245 -47.27042 178.1813 
1 1 1    0   14   13 o  243.026   98.697   0.1714   0.3450  -0.0461   0.5180   0.3449   0.4626  251.655  111.785  295.191  116.132 -43.53612 161.1907 
1 1 1    0   14   14 o  990.012   51.790   4.6474   0.4702   5.3314   0.6328   3.8044   0.7025  1051.18   65.749  870.619   88.939 180.5601 110.6029 
1 1 1    0   14   15 o  816.710   56.383   3.1822   0.4211   3.1740   0.5420   3.1946   0.6690  805.520   73.949  794.692   93.257 10.82776 119.0184 
1 1 1    0   14   16 o  177.837   81.139  -0.1526   0.2945  -0.1602   0.3983  -0.1433   0.4375  209.565   95.127  222.277  100.410 -12.71213 138.3158 
1 1 1    0   14   17 o  242.033   96.314   0.1842   0.3216   0.4211   0.4325  -0.1086   0.4809  308.091  114.436  238.516  106.707 69.57510 156.4669 
1 1 1    0   14   18 o  401.916  110.280   0.8428   0.4202   0.4899   0.6104   1.1605   0.5792  344.145  133.978  463.586  130.341 -119.4408 186.9194 
1 1 1    0   14   19 o  572.384   78.902   1.6079   0.4045   1.9121   0.5611   1.2787   0.5837  612.477  103.234  486.666  128.464 125.8105 164.8037 
1 1 1    0   14   20 o  558.964   84.290   1.5560   0.4201   2.0766   0.6154   1.1018   0.5748  632.105  109.791  448.340  131.062 183.7652 170.9713 
1 1 1    0   14   21 o  182.336   87.033  -0.4582   0.4079  -0.7006   0.5519  -0.1664   0.6054  203.486   98.190  257.595  117.063 -54.10855 152.7907 
1 1 1    0   14   22 o  717.629   78.316   2.5853   0.5088   3.4729   0.7330   1.7600   0.7067  812.515  100.158  541.250  140.624 271.2647 172.6462 
1 1 1    0   14   23 o  453.259  117.629   1.2053   0.4949   0.8933   0.7929   1.4043   0.6333  378.002  150.980  470.590  137.576 -92.58810 204.2602 
1 1 1    0   14   24 o  217.736  106.871  -0.9155   0.7354  -0.0362   1.2518  -1.3790   0.9089  317.479  151.797  225.860  112.286 91.61908 188.8133 
1 1 1    0   16    0 o  890.223   61.452   3.6825   0.5003   3.6149   0.7123   3.7483   0.7029  877.118   89.503  893.914   86.539 -16.79590 124.4985 
1 1 1    0   16    1 f  769.638   45.044   2.7502   0.3176   2.5379   0.4405   2.9802   0.4584  735.372   65.789  797.951   62.943 -62.57874 91.04999 
1 1 1    0   16    2 o  1326.19   38.733   8.1288   0.4727   7.4782   0.6506   8.8563   0.6879  1268.92   55.717  1381.26   54.123 -112.3418 77.67692 
1 1 1    0   16    3 o  504.512   71.959   1.2144   0.3246   0.7159   0.6142   1.4076   0.3824  396.610  137.679  542.066   78.977 -145.4561 158.7224 
1 1 1    0   16    4 o  977.791   49.943   4.4530   0.4478   4.2556   0.8047   4.5415   0.5390  941.337   94.165  984.930   59.760 -43.59229 111.5272 
1 1 1    0   16    5 o  1553.38   37.937   11.176   0.5423   11.030   0.7586   11.328   0.7754  1538.12   53.601  1558.63   54.065 -20.50989 76.13219 
1 1 1    0   16    6 o  1161.47   47.053   6.2810   0.5029   5.2220   0.7729   7.0585   0.6622  1044.14   81.076  1227.25   58.642 -183.1101 100.0610 
1 1 1    0   16    7 o  489.422   86.549   1.1831   0.3755   1.1688   0.4527   1.2144   0.6724  479.383  105.489  477.556  142.319 1.827667 177.1512 
1 1 1    0   16    8 o  383.059  104.798   0.7544   0.3801   0.6696   0.4720   0.9108   0.6410  364.845  120.758  417.704  140.777 -52.85953 185.4739 
1 1 1    0   16    9 o  737.042   59.900   2.5913   0.4027   2.4860   0.6373   2.6614   0.5197  699.238  102.049  738.317   77.654 -39.07855 128.2346 
1 1 1    0   16   10 o  496.629   80.369   1.2298   0.3547   1.6599   0.4738   0.6813   0.5350  571.578   93.311  364.352  128.377 207.2259 158.7061 
1 1 1    0   16   11 o  222.878   93.861   0.0811   0.3281  -0.1566   0.4092   0.5092   0.5490  212.231   96.366  333.054  127.760 -120.8223 160.0282 
1 1 1    0   16   12 o  797.453   58.514   3.0491   0.4264   3.4579   0.6211   2.6848   0.5863  833.819   82.016  728.951   89.282 104.8684 121.2349 
1 1 1    0   16   13 o  233.504   94.075   0.1649   0.3108   0.3499   0.4777   0.0291   0.4092  297.473  117.695  235.243  102.056 62.22955 155.7805 
1 1 1    0   16   14 o  961.302   57.033   4.4122   0.5022   3.8003   0.6905   5.0994   0.7318  870.946   87.343  1017.33   78.786 -146.3842 117.6268 
1 1 1    0   16   15 f  824.921   57.898   3.2515   0.4367   3.7224   0.5800   2.6352   0.6635  873.743   72.808  713.606  104.112 160.1372 127.0447 
1 1 1    0   16   16 o  294.967  100.037   0.4217   0.3237   0.5913   0.4187   0.1696   0.5104  341.102  113.775  279.118  117.287 61.98358 163.4044 
1 1 1    0   16   17 o  700.874   80.302   2.4069   0.5085   2.4907   0.7702   2.3420   0.6772  683.995  127.042  671.847  113.585 12.14722 170.4147 
1 1 1    0   16   18 o  483.334   98.311   1.1946   0.4223   0.6895   0.5499   1.9215   0.6596  370.651  130.180  601.354  123.340 -230.7033 179.3310 
1 1 1    0   16   19 o  712.392   72.279   2.4663   0.4672   2.5693   0.6322   2.3424   0.6936  711.276   99.304  666.732  117.341 44.54456 153.7211 
1 1 1    0   16   20 o  404.629  125.946   0.9005   0.5190   0.9520   0.6564   0.8146   0.8478  412.726  142.388  399.016  157.141 13.70996 212.0555 
1 1 1    0   16   21 o  383.376  115.890   0.8174   0.4435   0.8119   0.6347   0.8226   0.6199  380.143  139.072  381.651  137.773 -1.507904 195.7614 
1 1 1    0   16   22 o  161.233   79.534  -0.7789   0.4243  -1.0150   0.5751  -0.4969   0.6286  185.960   91.892  227.005  108.268 -41.04536 142.0073 
1 1 1    0   16   23 o  269.431  119.066   0.1672   0.5803   0.2822   0.8133   0.0479   0.8283  305.320  137.508  288.411  133.222 16.90933 191.4590 
1 1 1    0   18    0 o  989.293   91.734   4.6423   0.8256   0.0000   0.0000   4.6423   0.8256  ?   ?   989.293   91.734 0.000000 91.73396 
1 1 1    0   18    1 o  2009.68   55.509   18.898   1.0265   0.0000   0.0000   18.898   1.0265  ?   ?   2009.68   55.509 0.000000 55.50896 
1 1 1    0   18    2 o  1062.60   52.674   5.2778   0.5150   4.1124   0.9178   5.8135   0.6222  907.748  112.274  1110.64   61.120 -202.8918 127.8326 
1 1 1    0   18    3 o  1264.79   47.848   7.4626   0.5569   8.2408   0.9720   7.0823   0.6794  1310.18   81.019  1227.24   60.165 82.94080 100.9153 
1 1 1    0   18    4 o  561.194   66.688   1.5102   0.3376   1.7937   0.5667   1.3543   0.4204  594.936  107.482  522.203   90.777 72.73303 140.6873 
1 1 1    0   18    5 o  442.614   80.511   0.9689   0.3158   1.1611   0.5208   0.8572   0.3972  469.699  120.043  408.012  105.140 61.68701 159.5764 
1 1 1    0   18    6 o  568.867   72.662   1.5738   0.3717   2.0658   0.4536   0.5693   0.6482  650.685   77.278  359.935  138.634 290.7499 158.7172 
1 1 1    0   18    7 o  1029.52   46.441   4.9713   0.4399   4.4593   0.5905   5.6098   0.6595  963.111   67.055  1080.98   66.627 -117.8735 94.52758 
1 1 1    0   18    8 o  826.328   52.431   3.2390   0.3966   2.7112   0.5393   3.8605   0.5852  740.744   80.420  890.919   72.000 -150.1758 107.9416 
1 1 1    0   18    9 o  585.896   74.158   1.6938   0.3908   2.3969   0.5172   0.7572   0.5968  692.966   82.742  377.311  135.304 315.6550 158.5981 
1 1 1    0   18   10 o  460.689   86.886   1.0858   0.3548   1.2161   0.4528   0.8785   0.5710  477.520  105.837  397.000  132.873 80.51941 169.8728 
1 1 1    0   18   11 o  750.295   58.507   2.7049   0.4007   2.8271   0.5812   2.5941   0.5533  749.521   85.809  717.936   85.435 31.58502 121.0886 
1 1 1    0   18   12 o  362.682  113.936   0.7064   0.4237   0.3323   0.8339   0.8366   0.4919  340.655  146.734  389.921  122.808 -49.26517 191.3444 
1 1 1    0   18   13 o  1126.68   54.676   6.0322   0.5668   6.4939   0.8271   5.6233   0.7784  1147.36   78.819  1066.39   79.906 80.97205 112.2382 
1 1 1    0   18   14 o  199.867   90.539  -0.1382   0.3586   0.2876   0.5092  -0.5571   0.5051  293.303  119.595  201.756   96.453 91.54681 153.6434 
1 1 1    0   18   15 o  633.211   77.312   1.9732   0.4411   2.4448   0.6407   1.5483   0.6082  688.696  104.374  532.294  126.112 156.4019 163.7013 
1 1 1    0   18   16 o  484.205   99.472   1.2052   0.4284   1.1984   0.6388   1.2108   0.5774  465.155  138.752  471.224  129.271 -6.068542 189.6395 
1 1 1    0   18   17 o  248.514  106.265   0.0643   0.4315   0.3645   0.6270  -0.2059   0.5948  326.467  132.871  255.405  116.054 71.06235 176.4183 
1 1 1    0   18   18 o  353.239  110.545   0.6482   0.3992   1.0432   0.5383   0.1653   0.5952  437.102  126.567  293.986  125.229 143.1159 178.0492 
1 1 1    0   18   19 o  311.849  120.835   0.4203   0.4947   0.3934   0.5416   0.5556   1.2164  313.509  124.915  397.993  174.244 -84.48456 214.3942 
1 1 1    0   18   20 o  234.610  104.449  -0.0392   0.4547  -0.2804   0.6302   0.2228   0.6568  248.635  115.326  301.510  130.046 -52.87540 173.8161 
1 1 1    0   18   21 o  229.239  101.191   0.0169   0.4180  -0.3905   0.5746   0.4748   0.6092  223.915  105.838  318.648  130.474 -94.73286 168.0034 
1 1 1    0   18   22 o  411.060  120.976   1.0447   0.4883   1.0408   0.6972   1.0484   0.6840  388.851  145.125  390.806  144.153 -1.954742 204.5516 
1 1 1    0   20    0 o  869.072   75.495   3.5842   0.5977   3.9089   0.8866   3.3137   0.8093  893.180  110.212  821.672  109.786 71.50824 155.5624 
1 1 1    0   20    1 o  267.739   97.481   0.3118   0.3113  -0.0290   0.5571   0.4665   0.3754  265.273  116.974  311.367  107.661 -46.09348 158.9780 
1 1 1    0   20    2 o  510.705   81.417   1.2959   0.3698   1.5462   0.6896   1.1949   0.4381  525.885  140.016  480.355  102.245 45.52975 173.3737 
1 1 1    0   20    3 o  1030.43   47.649   4.9878   0.4518   5.9561   0.6659   4.1617   0.6150  1114.37   65.221  926.214   72.748 188.1522 97.70419 
1 1 1    0   20    4 o  334.895   99.829   0.5794   0.3308   0.5184   0.3885   0.7403   0.6308  322.119  109.585  379.458  138.667 -57.33945 176.7412 
1 1 1    0   20    5 o  1464.28   50.325   10.122   0.6781   10.348   0.8219   9.6417   1.1998  1472.03   60.679  1382.51   94.892 89.51355 112.6336 
1 1 1    0   20    6 o  445.753   80.250   1.0019   0.3171   1.2208   0.4386   0.7623   0.4588  481.349  102.186  375.507  118.653 105.8418 156.5899 
1 1 1    0   20    7 o  615.449   63.661   1.8399   0.3553   1.6243   0.4672   2.1357   0.5472  561.220   93.784  643.975   95.209 -82.75488 133.6422 
1 1 1    0   20    8 o  563.276   76.418   1.5822   0.3859   1.8107   0.4926   1.2196   0.6207  592.516   93.450  457.533  136.829 134.9831 165.6958 
1 1 1    0   20    9 o  678.392   69.403   2.2576   0.4271   2.3752   0.5365   2.0539   0.7060  684.239   87.185  601.799  131.195 82.44080 157.5228 
1 1 1    0   20   10 o  678.643   64.843   2.2412   0.4000   1.9169   0.5480   2.6111   0.5852  603.742  102.294  715.114   90.991 -111.3719 136.9070 
1 1 1    0   20   11 o  598.346   96.357   1.8556   0.5125   0.8040   0.9273   2.3181   0.6150  396.209  161.458  664.109  104.051 -267.9005 192.0808 
1 1 1    0   20   12 o  1031.31   56.425   5.0835   0.5334   4.4671   0.7362   5.7648   0.7740  943.908   85.695  1080.07   78.413 -136.1659 116.1557 
1 1 1    0   20   13 o  901.901   64.143   3.9232   0.5289   3.9778   0.7557   3.8707   0.7404  885.378   94.201  873.858   93.529 11.51947 132.7463 
1 1 1    0   20   14 o  276.024  103.208   0.3256   0.3530   0.0940   0.4833   0.5903   0.5166  262.568  112.372  346.264  125.654 -83.69666 168.5718 
1 1 1    0   20   15 o  330.189  109.982   0.5474   0.3913   0.1011   0.5651   0.9584   0.5423  281.236  120.966  420.431  128.392 -139.1952 176.4009 
1 1 1    0   20   16 o  409.840  128.497   0.9069   0.5392   0.9647   1.0829   0.8878   0.6217  436.719  175.724  406.584  138.629 30.13550 223.8235 
1 1 1    0   20   17 o  939.837   69.036   4.2739   0.5929   5.1024   0.8705   3.5572   0.8096  1005.90   95.180  827.683  108.954 178.2114 144.6732 
1 1 1    0   20   18 o  431.967  109.203   1.0068   0.4343   0.1893   0.5289   2.6984   0.7608  281.286  118.858  703.957  121.869 -422.6711 170.2327 
1 1 1    0   20   19 o  316.728  121.155   0.4864   0.4928   0.3298   0.5477   1.1522   1.1294  298.569  123.154  428.056  176.729 -129.4867 215.4069 
1 1 1    0   20   20 o  232.386  104.240  -0.0321   0.4621  -0.6368   0.6333   0.6566   0.6759  218.689  105.439  346.149  138.990 -127.4595 174.4578 
1 1 1    0   20   21 o  232.281  103.350   0.0396   0.4445   0.4781   0.5941  -0.5184   0.6701  306.994  127.575  227.435  109.353 79.55922 168.0277 
1 1 1    0   22    0 o  811.987   86.309   3.1964   0.6350   2.9723   0.9074   3.4115   0.8889  755.971  135.421  819.775  121.517 -63.80389 181.9483 
1 1 1    0   22    1 o  461.147   99.923   1.1251   0.4118   1.5791   0.5248   0.3983   0.6641  542.474  108.922  326.405  135.201 216.0687 173.6179 
1 1 1    0   22    2 o  240.107  101.812   0.1028   0.3903   0.1214   0.4708   0.0621   0.6978  259.986  111.075  293.513  130.094 -33.52722 171.0622 
1 1 1    0   22    3 o  225.802   97.994   0.0284   0.3776   0.2670   0.4675  -0.4190   0.6403  280.237  114.472  241.243  113.310 38.99342 161.0687 
1 1 1    0   22    4 o  164.012   77.728  -0.3190   0.3138   0.1634   0.4349  -0.8427   0.4532  258.214  108.372  167.849   82.681 90.36508 136.3110 
1 1 1    0   22    5 o  689.902  100.814   2.4979   0.6211   2.6865   0.9354   2.3491   0.8307  661.230  156.214  626.855  146.625 34.37524 214.2469 
1 1 1    0   22    6 o  256.769  109.834   0.1190   0.4613  -0.6413   0.7193   0.6501   0.6012  241.178  115.247  353.995  134.195 -112.8168 176.8903 
1 1 1    0   22    7 o  219.888   99.729  -0.1335   0.4366   0.0458   0.7168  -0.2392   0.5505  293.312  130.819  236.184  108.927 57.12805 170.2317 
1 1 1    0   22    8 o  321.059   99.061   0.5422   0.3219   0.5177   0.4337   0.5722   0.4803  319.914  115.268  333.625  121.146 -13.71085 167.2218 
1 1 1    0   22    9 o  315.600  101.431   0.5196   0.3342   0.4315   0.4732   0.6072   0.4721  307.760  118.475  340.269  120.518 -32.50888 168.9999 
1 1 1    0   22   10 o  330.077  103.790   0.5745   0.3515   0.7775   0.4825   0.3450   0.5130  375.713  121.987  299.322  120.770 76.39047 171.6577 
1 1 1    0   22   11 o  184.937   85.430  -0.2112   0.3407  -0.2175   0.4690  -0.2042   0.4956  220.540  101.281  228.401  104.603 -7.860840 145.6011 
1 1 1    0   22   12 o  383.317  105.603   0.7820   0.3844   1.3747   0.5787   0.3141   0.5142  497.114  126.269  297.690  120.629 199.4238 174.6288 
1 1 1    0   22   13 o  935.766   61.999   4.1957   0.5308   4.2999   0.7587   4.0958   0.7430  927.470   90.033  904.707   90.458 22.76324 127.6272 
1 1 1    0   22   14 o  620.800   82.776   1.9140   0.4611   1.4130   0.6207   2.5307   0.6887  504.699  132.109  696.325  111.227 -191.6252 172.6973 
1 1 1    0   22   15 o  655.750  104.560   2.2254   0.6097   2.3251   1.1663   2.1879   0.7152  596.195  189.258  634.052  127.019 -37.85626 227.9306 
1 1 1    0   22   16 o  552.157   96.748   1.5738   0.4736   1.9382   0.7073   1.2776   0.6377  586.938  133.920  472.033  138.071 114.9048 192.3493 
1 1 1    0   22   17 o  249.585  107.034   0.0944   0.4401   0.8747   0.6532  -0.5542   0.5955  393.366  141.501  221.831  105.686 171.5349 176.6123 
1 1 1    0   22   18 o  204.605   98.790  -0.6525   0.5607  -0.1844   0.6457  -2.0883   1.1308  256.685  118.232  244.126  121.978 12.55904 169.8752 
1 1 1    0   22   19 o  437.909  133.009   1.2093   0.5832   0.8375   0.8775   1.5036   0.7805  369.827  154.481  463.248  155.339 -93.42087 219.0763 
1 1 1    0   22   20 o  204.694   96.203  -0.2542   0.4627  -0.5945   0.5891   0.2940   0.7477  206.572  100.105  296.251  132.758 -89.67867 166.2704 
1 1 1    0   22   21 o  294.629  134.046   0.3299   0.7967   0.4902   0.9777   0.0131   1.3745  315.856  145.487  309.295  150.577 6.561340 209.3800 
1 1 1    0   24    0 o  352.706  144.275   0.3893   0.7440   0.3893   0.7440   0.0000   0.0000  352.706  144.275  ?   ?  0.000000 144.2748 
1 1 1    0   24    1 f  228.699  101.380  -0.0248   0.4239  -0.1922   0.5072   0.3633   0.7721  229.835  105.465  329.742  141.600 -99.90674 176.5600 
1 1 1    0   24    2 o  320.275  114.364   0.5303   0.4260   0.3522   0.5074   0.9556   0.7841  296.880  119.993  402.314  153.075 -105.4336 194.5002 
1 1 1    0   24    3 o  264.171  108.598   0.2244   0.4241   0.2709   0.5185   0.1302   0.7372  286.599  119.153  302.312  133.869 -15.71317 179.2157 
1 1 1    0   24    4 f  1046.90   63.715   5.3283   0.6109   5.5220   0.7327   4.8866   1.1063  1054.00   76.055  924.038  134.022 129.9606 154.0982 
1 1 1    0   24    5 o  184.011   84.883  -0.1920   0.3346  -0.5009   0.4458   0.2064   0.5063  187.817   90.010  275.971  116.429 -88.15353 147.1645 
1 1 1    0   24    6 o  207.228   91.914  -0.0431   0.3489   0.0479   0.4690  -0.1558   0.5221  248.332  108.474  237.153  108.136 11.17950 153.1663 
1 1 1    0   24    7 o  193.880   88.356  -0.1455   0.3480  -0.3954   0.4756   0.1423   0.5105  204.440   96.528  268.785  115.270 -64.34497 150.3492 
1 1 1    0   24    8 o  271.513  102.620   0.3243   0.3509   0.0215   0.4557   0.7654   0.5501  242.883  106.486  372.014  130.230 -129.1317 168.2231 
1 1 1    0   24    9 o  364.336  107.401   0.7153   0.3846   0.6233   0.5278   0.8195   0.5614  347.050  126.842  383.796  131.725 -36.74564 182.8675 
1 1 1    0   24   10 o  229.974  102.384  -0.0607   0.4369   1.0269   0.9123  -0.3845   0.4977  424.282  164.172  212.696   99.903 211.5854 192.1796 
1 1 1    0   24   11 o  303.018  118.453   0.3766   0.4787   0.0649   0.9419   0.4852   0.5558  333.279  149.203  330.263  128.045 3.015656 196.6139 
1 1 1    0   24   12 o  516.548  117.283   1.4387   0.5447   0.0413   1.0867   1.9077   0.6295  350.659  158.340  595.803  118.994 -245.1444 198.0687 
1 1 1    0   24   13 f  665.218   85.095   2.2121   0.5089   2.0098   0.7012   2.4373   0.7398  603.133  130.165  670.549  124.488 -67.41589 180.1120 
1 1 1    0   24   14 o  448.199  129.139   1.1283   0.5617   0.7987   1.1426   1.2334   0.6450  412.854  174.584  462.598  139.739 -49.74417 223.6214 
1 1 1    0   24   15 o  422.532  114.962   0.9837   0.4589   0.7659   0.6210   1.2457   0.6810  375.819  137.551  457.527  144.551 -81.70840 199.5375 
1 1 1    0   24   16 o  353.971  119.459   0.6926   0.4616   0.8174   0.6276   0.5454   0.6814  378.268  138.301  341.068  138.627 37.20056 195.8174 
1 1 1    0   24   17 o  526.816  141.275   1.7487   0.6989   2.1922   0.8238   0.6093   1.3204  578.884  152.517  374.711  171.287 204.1728 229.3486 
1 1 1    0   24   18 o  276.453  116.316   0.3015   0.5031   1.5452   0.7645  -0.6482   0.6681  462.138  153.725  220.510  106.797 241.6276 187.1812 
1 1 1    0   24   19 o  288.416  124.909   0.3740   0.6110   1.8834   1.0189  -0.4734   0.7634  448.138  173.477  239.760  115.640 208.3778 208.4867 
1 1 1    0   26    0 o  961.280   93.622   4.5392   0.8176   4.9938   1.1711   4.1069   1.1420  978.423  133.562  875.654  146.942 102.7692 198.5722 
1 1 1    0   26    1 o  229.443  100.260   0.0257   0.4010   0.7485   0.5931  -0.5831   0.5443  366.380  134.372  206.327   99.034 160.0531 166.9240 
1 1 1    0   26    2 o  297.160  113.238   0.4130   0.4295   0.2189   0.5717   0.6644   0.6508  287.216  122.551  355.810  138.384 -68.59357 184.8486 
1 1 1    0   26    3 o  270.058  109.314   0.2648   0.4218   0.3440   0.5782   0.1747   0.6166  304.435  126.132  288.970  125.315 15.46478 177.8007 
1 1 1    0   26    4 o  258.895  106.120   0.2147   0.4036   0.6142   0.5425  -0.2800   0.6038  342.726  127.995  242.802  112.712 99.92415 170.5485 
1 1 1    0   26    5 o  255.598  106.211   0.1821   0.4117   0.1592   0.5389   0.2142   0.6381  275.654  118.332  297.811  128.319 -22.15701 174.5516 
1 1 1    0   26    6 o  216.343   96.129  -0.0481   0.3833  -0.3504   0.4899   0.4294   0.6157  212.142   99.472  322.781  131.549 -110.6387 164.9235 
1 1 1    0   26    7 o  840.377   66.973   3.4423   0.5136   3.8638   0.6989   2.9475   0.7572  873.288   88.183  739.020  115.105 134.2686 145.0010 
1 1 1    0   26    8 o  468.448  106.050   1.1732   0.4465   0.8399   0.5636   1.7351   0.7317  389.432  131.992  542.976  144.070 -153.5439 195.3924 
1 1 1    0   26    9 o  727.938   72.421   2.5970   0.4787   2.4695   0.6306   2.7704   0.7352  689.512  102.511  721.150  114.631 -31.63770 153.7813 
1 1 1    0   26   10 o  466.178  102.904   1.1463   0.4296   1.0918   0.5808   1.2122   0.6383  439.958  132.544  459.520  139.066 -19.56177 192.1121 
1 1 1    0   26   11 o  214.692   97.188  -0.1401   0.4124  -0.1805   0.5894  -0.1013   0.5771  252.738  115.106  257.822  116.000 -5.084503 163.4179 
1 1 1    0   26   12 o  422.157  112.192   0.9702   0.4433   1.1690   0.6106   0.7487   0.6445  450.402  135.949  375.735  139.665 74.66708 194.9062 
1 1 1    0   26   13 o  320.463  127.527   0.4486   0.5638   0.3333   1.1660   0.4838   0.6441  368.237  165.348  333.827  135.102 34.41055 213.5242 
1 1 1    0   26   14 o  354.060  124.038   0.6932   0.4990   0.6796   0.7243   0.7055   0.6885  361.046  144.268  362.719  141.989 -1.673004 202.4209 
1 1 1    0   26   15 o  722.801  109.825   2.8904   0.7075   2.5636   1.4054   3.0013   0.8188  532.541  204.382  714.690  129.259 -182.1491 241.8259 
1 1 1    0   26   16 o  502.066  178.832   2.0879   1.0410   1.6717   1.3500   2.6982   1.6348  431.075  186.186  488.833  207.869 -57.75787 279.0608 
1 1 1    0   26   17 o  323.622  137.606   0.6146   0.7163   1.3457   1.3632   0.3358   0.8419  383.347  174.768  304.120  138.144 79.22772 222.7725 
1 1 1    0   26   18 o  458.177  148.624   1.6489   0.7163   2.0069   1.0504   1.3377   0.9794  440.147  174.409  379.047  161.033 61.10028 237.3819 
1 1 1    0   28    0 o  505.568  142.688   1.3715   0.6928   1.2182   0.9575   1.5399   1.0036  480.837  171.484  526.280  176.151 -45.44290 245.8371 
1 1 1    0   28    1 o  554.760  105.807   1.6492   0.5204   0.5925   0.6726   3.2258   0.8215  350.091  139.296  765.649  120.595 -415.5583 184.2458 
1 1 1    0   28    2 o  486.786  114.320   1.3062   0.5033   2.2140   0.7149   0.4138   0.7088  625.626  128.482  331.141  138.626 294.4855 189.0098 
1 1 1    0   28    3 o  440.384  119.017   1.0838   0.4938   1.3226   0.6814   0.8198   0.7165  469.745  143.993  386.108  146.466 83.63748 205.3929 
1 1 1    0   28    4 o  198.459   92.771  -0.3060   0.4205  -0.5380   0.5323   0.0793   0.6860  208.470   99.484  293.305  129.543 -84.83488 163.3352 
1 1 1    0   28    5 o  268.581  111.027   0.2102   0.4466   0.2770   0.5806   0.1135   0.6988  300.184  125.545  299.434  131.556 0.7494202 181.8477 
1 1 1    0   28    6 o  843.308   75.092   3.5052   0.5766   3.6523   0.7813   3.3293   0.8545  836.880  103.680  780.903  122.983 55.97797 160.8548 
1 1 1    0   28    7 o  667.849   87.926   2.2598   0.5272   3.2631   0.7447   1.2520   0.7464  789.648  105.107  457.064  151.883 332.5839 184.7048 
1 1 1    0   28    8 o  1432.85   72.754   10.041   0.9561   9.1309   1.6571   10.496   1.1706  1261.17  145.457  1444.75   88.480 -183.5845 170.2538 
1 1 1    0   28    9 o  763.506   84.231   2.9330   0.5819   2.3579   0.7568   3.7650   0.9103  645.727  131.823  828.986  123.065 -183.2589 180.3396 
1 1 1    0   28   10 o  813.862   78.286   3.3029   0.5790   3.6119   0.7882   2.9406   0.8534  825.995  106.166  717.682  134.162 108.3134 171.0869 
1 1 1    0   28   11 o  255.842  108.307   0.1511   0.4405  -0.2053   0.5814   0.6316   0.6750  244.412  112.435  353.001  139.835 -108.5897 179.4310 
1 1 1    0   28   12 o  279.622  124.617   0.0687   0.6491   1.1145   1.0867  -0.5116   0.8094  415.176  172.538  260.597  123.886 154.5789 212.4079 
1 1 1    0   28   13 o  351.589  127.614   0.7213   0.5329   0.4496   0.6716   1.1834   0.8758  318.806  134.276  414.117  160.686 -95.31125 209.4041 
1 1 1    0   28   14 o  317.492  123.180   0.5633   0.5146  -0.0120   0.6558   1.4856   0.8303  263.556  120.565  444.939  159.585 -181.3832 200.0081 
1 1 1    0   28   15 o  368.623  139.815   0.9587   0.6529   1.2314   0.7260  -0.1943   1.4929  403.484  148.562  314.586  153.963 88.89789 213.9517 
1 1 1    0   28   16 o  234.647  108.361  -0.0292   0.5475   0.1843   0.7590  -0.2607   0.7905  276.104  127.535  249.805  119.755 26.29872 174.9469 
1 1 1    0   28   17 o  333.212  159.892   1.0818   1.4167   0.0000   0.0000   1.0818   1.4167  ?   ?   333.212  159.892 0.000000 159.8921 
1 1 1    0   30    0 o  409.052  147.950   0.8034   0.7154   0.6907   0.9483   0.9523   1.0899  414.840  165.293  456.429  178.652 -41.58914 243.3896 
1 1 1    0   30    1 o  434.085  126.838   1.0753   0.5384   0.4062   0.7128   1.9645   0.8217  331.314  138.877  564.622  153.929 -233.3088 207.3182 
1 1 1    0   30    2 o  582.882  107.038   1.8174   0.5529   2.3913   0.7512   1.1387   0.8169  650.023  130.130  432.732  157.854 217.2917 204.5766 
1 1 1    0   30    3 o  325.671  122.517   0.5209   0.4989   0.1502   0.6374   1.1071   0.8015  291.933  127.007  428.030  156.324 -136.0972 201.4146 
1 1 1    0   30    4 o  412.595  126.986   0.9717   0.5293   0.8907   0.6842   1.0925   0.8354  394.807  144.396  424.928  158.803 -30.12152 214.6355 
1 1 1    0   30    5 f  427.335  124.814   1.0433   0.5215   1.0611   0.6926   1.0202   0.7925  421.192  146.204  413.711  154.656 7.481323 212.8244 
1 1 1    0   30    6 o  766.417   87.895   3.0024   0.6087   2.7992   0.8004   3.2810   0.9372  702.466  128.565  747.206  141.497 -44.73956 191.1810 
1 1 1    0   30    7 o  352.351  125.047   0.6816   0.5085   0.9996   0.6696   0.2483   0.7816  407.939  143.632  318.062  139.450 89.87711 200.1909 
1 1 1    0   30    8 o  502.478  123.800   1.4610   0.5687   1.7592   0.6930   0.8460   0.9952  538.318  138.953  389.316  163.688 149.0019 214.7136 
1 1 1    0   30    9 o  274.764  116.636   0.2227   0.5131   1.0593   0.6371  -1.3214   0.8655  412.375  140.339  228.772  112.989 183.6027 180.1710 
1 1 1    0   30   10 o  377.665  142.150   0.8897   0.6717   1.9792   1.2651   0.4619   0.7927  477.625  190.726  329.246  142.436 148.3795 238.0428 
1 1 1    0   30   11 o  664.032  139.941   2.8069   0.8281   2.3400   1.2404   3.1823   1.1122  501.218  192.095  637.795  181.075 -136.5761 263.9861 
1 1 1    0   30   12 o  215.556  100.440  -0.1905   0.4867  -0.2227   0.6177  -0.1376   0.7904  237.021  111.316  267.424  125.701 -30.40315 167.9049 
1 1 1    0   30   13 o  145.856   73.850  -1.4275   0.4939  -1.8111   0.6790  -0.9965   0.7197  170.597   86.401  206.066  102.003 -35.46851 133.6781 
1 1 1    0   30   14 o  195.423   96.985  -0.9576   0.6666  -1.0986   0.7360  -0.3139   1.5726  200.710   99.987  294.981  146.821 -94.27138 177.6337 
1 1 1    0   30   15 o  302.637  143.038   0.5913   1.0492  -0.2947   1.4259   1.6377   1.5495  280.232  139.532  345.416  166.130 -65.18344 216.9527 
1 1 1    0   32    0 o  566.752  160.415   1.8340   0.8743   2.2915   1.2057   1.3267   1.2697  610.006  192.294  493.320  192.899 116.6863 272.3726 
1 1 1    0   32    1 o  181.506   89.525  -0.9434   0.5371  -0.4205   0.7389  -1.5291   0.7821  253.533  119.893  206.512  102.909 47.02052 158.0019 
1 1 1    0   32    2 f  351.586  130.902   0.7005   0.5666   0.8328   0.7482   0.5225   0.8676  375.063  147.648  345.594  149.262 29.46933 209.9508 
1 1 1    0   32    3 o  464.891  138.291   1.3544   0.6353   0.9259   0.7205   2.8499   1.3462  386.566  146.820  571.802  203.398 -185.2364 250.8521 
1 1 1    0   32    4 o  572.031  129.786   1.9625   0.6675   2.1016   0.7805   1.5835   1.2880  571.503  147.436  444.162  186.455 127.3419 237.7032 
1 1 1    0   32    5 o  402.750  132.689   1.0114   0.5701   1.3949   0.7523   0.4941   0.8739  451.671  152.501  337.665  147.763 114.0052 212.3448 
1 1 1    0   32    6 o  286.925  121.855   0.3069   0.5605   0.3267   0.7081   0.2738   0.9171  304.949  133.239  318.998  144.624 -14.04843 196.6440 
1 1 1    0   32    7 o  278.424  118.992   0.2781   0.5406   1.0080   0.7299  -0.6087   0.8045  384.608  147.369  245.424  118.458 139.1840 189.0763 
1 1 1    0   32    8 o  270.818  117.059   0.2472   0.5345  -0.1363   0.6581   0.9899   0.9159  250.911  116.876  371.361  156.635 -120.4492 195.4342 
1 1 1    0   32    9 o  288.448  131.153   0.2329   0.7612  -0.4966   1.4337   0.5193   0.8983  300.740  147.932  320.567  144.430 -19.82684 206.7460 
1 1 1    0   32   10 o  223.700  104.772  -0.1588   0.5408  -0.7690   0.6921   0.7982   0.8667  210.940  103.563  335.039  146.873 -124.0988 179.7134 
1 1 1    0   32   11 o  311.858  124.188   0.6579   0.5350  -0.0181   0.6465   2.1264   0.9529  245.492  114.843  459.018  169.983 -213.5259 205.1416 
1 1 1    0   32   12 o  412.307  135.356   1.3374   0.5935   0.4315   0.7362   3.0185   1.0029  282.693  128.708  546.044  175.725 -263.3508 217.8186 
1 1 1    0   34    0 o  834.221  146.875   4.0212   1.0863   4.5689   1.3743   3.1093   1.7733  844.624  182.179  606.872  230.370 237.7523 293.6994 
1 1 1    0   34    1 o  426.705  148.668   1.3763   0.7164   2.4806   0.8287  -1.8911   1.4255  585.049  152.411  261.807  131.671 323.2418 201.4109 
1 1 1    0   34    2 o  251.996  116.949  -0.0523   0.6494   0.1671   0.7247  -0.9467   1.4631  278.707  127.204  287.666  142.921 -8.959656 191.3300 
1 1 1    0   34    3 o  234.680  109.602  -0.1368   0.5848  -0.4324   0.7545   0.3082   0.9256  239.848  115.499  303.113  140.300 -63.26515 181.7256 
1 1 1    0   34    4 o  286.085  123.294   0.3967   0.5894   1.2307   0.7870  -0.6686   0.8895  387.988  151.826  243.508  119.105 144.4804 192.9688 
1 1 1    0   34    5 o  188.670   92.979  -0.7892   0.5753  -0.3867   0.7323  -1.4378   0.9296  235.911  113.651  217.988  109.166 17.92305 157.5875 
1 1 1    0   34    6 o  244.781  112.817   0.0448   0.5891  -0.4342   0.7360   0.8989   0.9827  231.162  111.990  334.030  150.727 -102.8681 187.7774 
1 1 1    0   34    7 o  252.701  121.585  -0.1651   0.8319  -0.2026   1.4766  -0.1476   1.0068  288.510  143.381  267.268  129.830 21.24136 193.4273 
1 1 1    0   34    8 o  292.875  134.561   0.5453   0.8292   0.2312   1.4545   0.6965   1.0092  293.250  145.133  305.272  143.024 -12.02286 203.7637 
1 1 1    0   34    9 o  234.364  110.063   0.0199   0.6037   0.1939   0.7891  -0.2256   0.9375  261.365  123.689  249.286  122.004 12.07851 173.7354 
1 1 1    0   34   10 o  267.884  131.505   0.1369   1.1149   0.7053   1.5523  -0.4688   1.6023  292.503  145.633  266.598  134.755 25.90469 198.4137 
1 1 1    0   36    0 o  735.539  166.244   3.7381   1.0987   2.1246   1.3405   7.0398   1.9177  480.064  194.690  863.269  235.072 -383.2053 305.2263 
1 1 1    0   36    1 o  233.383  111.483  -0.0607   0.6719  -0.4954   0.8493   0.6664   1.0985  228.208  112.563  292.021  140.303 -63.81258 179.8761 
1 1 1    0   36    2 o  245.980  115.685   0.1369   0.6710   0.4055   0.8691  -0.2594   1.0559  273.442  129.521  251.266  124.229 22.17654 179.4674 
1 1 1    0   36    3 o  258.699  120.927   0.2934   0.7144   0.2098   0.9017   0.4343   1.1708  262.072  126.218  279.405  136.660 -17.33267 186.0297 
1 1 1    0   36    4 o  254.020  118.640   0.2748   0.6854   0.4768   0.8768  -0.0426   1.0989  273.838  129.819  257.335  127.136 16.50272 181.7047 
1 1 1    0   36    5 o  259.114  128.083   0.0616   1.1204   0.8875   1.4906  -1.0109   1.6986  288.918  143.663  253.472  129.186 35.44595 193.2042 
1 1 1    0   36    6 o  310.544  154.664   2.1010   1.7564   2.1010   1.7564   0.0000   0.0000  310.544  154.664  ?   ?  0.000000 154.6639 
1 1 1    1    1    2 o  1297.69   19.789   7.7509   0.2363   7.7856   0.3363   7.7171   0.3321  1300.33   28.108  1294.60   27.876 5.724854 39.58727 
1 1 1    1    1    3 o  2988.02   19.314   41.094   0.5310   41.647   0.8183   40.691   0.6980  3007.26   29.571  2972.90   25.515 34.35547 39.05693 
1 1 1    1    1    4 o  1401.29   20.344   9.0388   0.2623   9.1141   0.3758   8.9672   0.3664  1406.76   29.029  1395.40   28.533 11.35754 40.70402 
1 1 1    1    1    5 o  1293.86   21.451   7.7072   0.2554   7.5472   0.3596   7.8699   0.3628  1279.94   30.534  1307.04   30.162 -27.09705 42.91938 
1 1 1    1    1    6 o  3136.38   21.610   45.292   0.6237   45.224   0.8811   45.361   0.8829  3132.80   30.564  3137.56   30.582 -4.760010 43.23692 
1 1 1    1    1    7 o  680.002   28.178   2.1301   0.1763   2.0476   0.2449   2.2188   0.2540  665.068   40.210  692.426   40.041 -27.35840 56.74584 
1 1 1    1    1    8 o  2200.58   24.063   22.297   0.4872   21.274   0.6705   23.441   0.7093  2148.73   33.911  2255.46   34.176 -106.7266 48.14513 
1 1 1    1    1    9 o  1280.74   26.652   7.5532   0.3141   7.3433   0.4424   7.7666   0.4460  1262.24   38.089  1298.16   37.337 -35.91821 53.33697 
1 1 1    1    1   10 o  1035.60   41.600   4.9469   0.3964   5.6739   0.5782   4.3020   0.5445  1106.41   56.987  962.305   61.824 144.1019 84.08219 
1 1 1    1    1   11 o  990.152   31.757   4.5215   0.2893   4.8671   0.4187   4.2057   0.4003  1026.13   44.347  953.732   45.610 72.39728 63.61581 
1 1 1    1    1   12 o  705.856   53.011   2.3300   0.3418   2.6927   0.4946   1.9983   0.4729  754.182   72.146  646.092   81.347 108.0901 108.7309 
1 1 1    1    1   13 o  816.513   36.671   3.0896   0.2755   3.1242   0.3919   3.0558   0.3874  816.396   52.448  807.381   52.432 9.014893 74.16133 
1 1 1    1    1   14 o  425.743   58.997   0.8695   0.2249   1.0564   0.3348   0.7159   0.3036  462.351   81.694  376.942   88.961 85.40826 120.7801 
1 1 1    1    1   15 o  819.863   41.467   3.1463   0.3118   3.1658   0.4449   3.1275   0.4372  815.019   59.738  810.377   59.032 4.642029 83.98470 
1 1 1    1    1   16 o  363.055   75.149   0.6595   0.2428   0.7296   0.3500   0.5945   0.3370  374.096   99.832  339.220  100.684 34.87592 141.7872 
1 1 1    1    1   17 o  1182.74   38.679   6.5279   0.4209   6.5471   0.5996   6.5093   0.5911  1175.78   55.416  1172.77   54.779 3.015259 77.92101 
1 1 1    1    1   18 o  649.030   52.106   1.9986   0.3086   1.5734   0.4234   2.4802   0.4506  561.485   84.573  715.545   69.308 -154.0606 109.3445 
1 1 1    1    1   19 o  612.563   57.420   1.7893   0.3199   2.2242   0.4661   1.4020   0.4398  674.977   76.387  526.001   94.333 148.9768 121.3830 
1 1 1    1    1   20 o  1129.48   44.512   5.9565   0.4626   6.1685   0.6723   5.7659   0.6375  1138.67   64.434  1101.48   63.164 37.18982 90.23022 
1 1 1    1    1   21 o  1237.34   52.234   7.1851   0.5947   6.7743   0.8179   7.6462   0.8663  1186.88   75.279  1261.41   74.976 -74.53003 106.2462 
1 1 1    1    1   22 o  289.332  101.160   0.3883   0.3319   0.7676   0.4783   0.0362   0.4609  383.756  121.124  252.349  108.887 131.4067 162.8729 
1 1 1    1    1   23 o  307.548  122.526   0.3602   0.5210   1.0468   0.7753  -0.2052   0.7035  431.821  154.276  275.208  125.500 156.6123 198.8752 
1 1 1    1    1   24 o  361.347  109.821   0.7104   0.3975   0.8180   0.5630   0.6035   0.5612  381.491  131.858  343.870  129.819 37.62067 185.0396 
1 1 1    1    1   25 o  249.369  102.980   0.2043   0.3836   0.0760   0.5562   0.3207   0.5298  262.645  116.291  288.936  120.306 -26.29108 167.3239 
1 1 1    1    3    0 o  1984.19   33.419   18.134   0.6102   17.399   0.8506   18.914   0.8757  1942.41   47.591  2025.27   46.991 -82.86267 66.88123 
1 1 1    1    3    1 o  2457.94   33.511   27.828   0.7579   28.181   1.0846   27.491   1.0596  2472.01   47.683  2441.64   47.160 30.37085 67.06538 
1 1 1    1    3    2 o  883.872   25.206   3.5967   0.2050   3.5380   0.2905   3.6550   0.2893  876.315   36.025  890.715   35.303 -14.39978 50.43906 
1 1 1    1    3    3 o  3224.40   20.946   47.857   0.6215   48.764   0.8979   47.024   0.8611  3253.94   29.987  3195.43   29.286 58.51245 41.91504 
1 1 1    1    3    4 o  2121.76   22.593   20.726   0.4411   20.936   0.6284   20.522   0.6194  2131.78   32.033  2110.60   31.892 21.17505 45.20175 
1 1 1    1    3    5 o  1544.08   24.463   10.979   0.3476   10.328   0.4786   11.705   0.5056  1496.94   34.748  1593.60   34.478 -96.66052 48.95058 
1 1 1    1    3    6 o  1481.90   24.699   10.114   0.3368   10.135   0.5028   10.097   0.4536  1482.52   36.856  1480.04   33.308 2.482666 49.67710 
1 1 1    1    3    7 o  1051.07   25.848   5.0880   0.2500   4.7295   0.3554   5.4391   0.3517  1012.75   38.138  1086.25   35.187 -73.50580 51.89065 
1 1 1    1    3    8 o  1970.42   24.569   17.877   0.4455   17.698   0.6343   18.051   0.6258  1959.75   35.173  1979.26   34.359 -19.50989 49.16957 
1 1 1    1    3    9 o  1202.23   31.500   6.6581   0.3485   6.5994   0.4976   6.7146   0.4882  1196.13   45.206  1206.61   43.971 -10.47339 63.06365 
1 1 1    1    3   10 o  1090.07   33.784   5.4770   0.3389   5.6343   0.4788   5.3191   0.4796  1104.67   47.108  1073.20   48.567 31.46777 67.66064 
1 1 1    1    3   11 f  1427.36   29.067   9.3942   0.3818   8.8462   0.5309   9.9809   0.5493  1383.49   41.704  1469.72   40.620 -86.22339 58.21740 
1 1 1    1    3   12 o  214.121   79.239   0.1721   0.2070  -0.0294   0.2748   0.4363   0.3147  192.796   83.636  304.826   98.472 -112.0301 129.1963 
1 1 1    1    3   13 o  257.494   75.672   0.3210   0.1912   0.4221   0.2825   0.2356   0.2597  296.011   93.037  242.633   88.925 53.37769 128.6992 
1 1 1    1    3   14 o  202.647   76.070   0.1529   0.1921   0.1847   0.2732   0.1218   0.2702  231.974   89.824  217.405   87.668 14.56886 125.5154 
1 1 1    1    3   15 o  252.462   82.756   0.3040   0.2219   0.3878   0.3170   0.2236   0.3106  286.442   98.949  247.613   95.798 38.82919 137.7253 
1 1 1    1    3   16 o  810.928   43.209   3.0880   0.3213   3.1883   0.4540   2.9872   0.4547  816.040   60.894  788.571   63.194 27.46863 87.75896 
1 1 1    1    3   17 o  615.467   51.750   1.7990   0.2904   2.1061   0.4278   1.5366   0.3954  657.214   71.914  556.820   79.415 100.3936 107.1371 
1 1 1    1    3   18 o  414.923   73.154   0.8522   0.2691   0.7414   0.3765   0.9678   0.3847  376.279  104.840  431.999   98.916 -55.72000 144.1378 
1 1 1    1    3   19 o  330.937   90.780   0.5569   0.2848   0.6546   0.3930   0.4489   0.4131  356.385  109.380  311.840  112.487 44.54504 156.8995 
1 1 1    1    3   20 o  945.744   55.775   4.2243   0.4832   5.2652   0.7429   3.4609   0.6362  1043.84   77.904  842.359   83.168 201.4810 113.9558 
1 1 1    1    3   21 f  1164.59   52.219   6.3662   0.5596   5.8880   0.7666   6.9116   0.8187  1105.68   75.809  1199.15   74.564 -93.47009 106.3337 
1 1 1    1    3   22 o  372.390   99.648   0.7146   0.3482  -0.0643   0.4725   1.6401   0.5150  242.303  107.238  566.136  102.646 -323.8338 148.4464 
1 1 1    1    3   23 o  329.480  123.849   0.5052   0.5096   0.0356   0.6799   1.1069   0.7697  292.612  129.116  439.798  154.044 -147.1854 200.9992 
1 1 1    1    3   24 o  363.698  108.520   0.7218   0.3907   1.1489   0.5476   0.2789   0.5577  446.399  127.173  294.188  123.043 152.2109 176.9535 
1 1 1    1    3   25 o  377.665  111.168   0.8189   0.4123   1.1124   0.6046   0.5639   0.5636  420.374  136.553  326.753  128.303 93.62125 187.3725 
1 1 1    1    5    0 o  653.399   26.307   1.9657   0.1582   2.2274   0.2315   1.7366   0.2166  694.338   36.359  612.660   38.621 81.67792 53.04300 
1 1 1    1    5    1 o  558.443   27.413   1.4360   0.1409   1.4149   0.2014   1.4562   0.1971  552.638   39.879  560.814   38.421 -8.176147 55.37603 
1 1 1    1    5    2 o  413.827   30.745   0.7931   0.1162   0.7618   0.1641   0.8246   0.1646  403.957   44.917  420.706   43.138 -16.74966 62.27664 
1 1 1    1    5    3 o  1537.50   27.206   10.886   0.3849   11.285   0.5531   10.512   0.5360  1564.65   38.416  1510.10   38.571 54.54858 54.43845 
1 1 1    1    5    4 o  964.329   30.153   4.2843   0.2676   4.1219   0.3730   4.4565   0.3840  945.213   42.886  982.852   42.460 -37.63965 60.34989 
1 1 1    1    5    5 o  900.800   32.554   3.7399   0.2698   3.5623   0.3104   4.2887   0.5458  878.856   38.386  960.444   62.089 -81.58783 72.99637 
1 1 1    1    5    6 o  1059.21   27.413   5.1682   0.2672   4.9253   0.3786   5.4091   0.3771  1033.33   39.819  1083.02   37.840 -49.69482 54.93097 
1 1 1    1    5    7 o  1807.68   27.064   15.049   0.4502   15.144   0.6450   14.959   0.6286  1812.40   38.678  1801.37   37.922 11.02563 54.16698 
1 1 1    1    5    8 o  2824.70   27.575   36.744   0.7167   37.312   1.0319   36.215   0.9962  2845.05   39.418  2803.01   38.624 42.04346 55.18686 
1 1 1    1    5    9 o  1057.86   35.786   5.1576   0.3483   5.6202   0.5736   4.8872   0.4385  1101.40   56.786  1029.16   46.303 72.23718 73.27103 
1 1 1    1    5   10 o  333.879   68.010   0.5360   0.2018   0.4344   0.2911   0.6300   0.2801  304.879   94.234  360.369   85.716 -55.48972 127.3863 
1 1 1    1    5   11 o  807.259   39.206   3.0127   0.2912   2.9379   0.4051   3.0928   0.4190  793.295   55.852  813.957   56.283 -20.66150 79.29248 
1 1 1    1    5   12 o  338.124   67.230   0.5551   0.2018   0.7521   0.2964   0.3848   0.2755  390.688   84.880  286.146   92.109 104.5417 125.2545 
1 1 1    1    5   13 o  370.897   66.315   0.6683   0.2180   0.8480   0.3139   0.5008   0.3030  413.161   85.387  318.328   95.702 94.83319 128.2569 
1 1 1    1    5   14 o  563.121   47.930   1.4956   0.2460   1.4451   0.3470   1.5467   0.3488  545.717   70.768  565.765   68.387 -20.04718 98.41128 
1 1 1    1    5   15 o  514.452   52.412   1.2603   0.2446   1.3306   0.3522   1.1948   0.3401  519.599   75.900  491.039   77.865 28.55991 108.7374 
1 1 1    1    5   16 o  285.682   85.396   0.4099   0.2418   0.2580   0.3447   0.5571   0.3393  260.580  100.892  329.258  101.720 -68.67770 143.2693 
1 1 1    1    5   17 o  500.189   59.571   1.2052   0.2688   1.0093   0.3853   1.3909   0.3751  441.366   97.479  529.208   79.491 -87.84207 125.7816 
1 1 1    1    5   18 o  959.979   43.296   4.3135   0.3824   3.9911   0.5289   4.6669   0.5537  912.612   63.374  988.477   61.175 -75.86517 88.08300 
1 1 1    1    5   19 o  993.987   44.786   4.6220   0.4096   4.6525   0.5881   4.5933   0.5708  986.282   65.174  980.863   63.590 5.418335 91.05685 
1 1 1    1    5   20 o  245.442   97.108   0.1895   0.3252   0.2800   0.4704   0.1066   0.4500  291.605  116.346  260.677  109.860 30.92761 160.0177 
1 1 1    1    5   21 o  786.385   61.133   2.9419   0.4389   2.8820   0.6159   3.0037   0.6255  764.457   89.241  780.940   88.619 -16.48334 125.7673 
1 1 1    1    5   22 o  644.547   79.631   2.0405   0.4622   2.2219   0.6473   1.8518   0.6603  654.435  111.494  587.220  125.970 67.21533 168.2246 
1 1 1    1    5   23 o  238.985  102.244   0.0689   0.3999   0.1868   0.6055  -0.0223   0.5325  295.375  126.076  257.286  113.861 38.08890 169.8809 
1 1 1    1    5   24 o  409.744  104.199   0.9165   0.3938   1.0291   0.5594   0.8058   0.5544  418.860  130.812  376.206  130.794 42.65393 184.9832 
1 1 1    1    5   25 o  441.279  106.438   1.1033   0.4272   0.8266   0.6125   1.3655   0.5962  367.410  136.233  467.770  132.487 -100.3604 190.0322 
1 1 1    1    7    0 o  1307.60   27.106   7.8745   0.3261   7.9181   0.4627   7.8314   0.4598  1310.56   38.368  1303.36   38.339 7.198608 54.24027 
1 1 1    1    7    1 o  1038.44   27.715   4.9667   0.2648   4.8232   0.3724   5.1136   0.3767  1022.76   39.569  1053.14   38.873 -30.38269 55.46884 
1 1 1    1    7    2 o  366.475   36.328   0.6252   0.1209   0.6077   0.1685   0.6438   0.1736  358.925   52.568  369.670   52.504 -10.74518 74.29690 
1 1 1    1    7    3 o  596.982   32.569   1.6474   0.1782   1.5566   0.2493   1.7423   0.2549  578.716   47.222  612.673   45.548 -33.95703 65.60894 
1 1 1    1    7    4 o  1077.60   35.378   5.3540   0.3508   5.4864   0.4351   5.1080   0.5930  1090.27   43.369  1048.50   61.738 41.76440 75.44846 
1 1 1    1    7    5 o  1351.10   31.620   8.4125   0.3931   7.8508   0.5446   9.0238   0.5681  1304.08   45.382  1398.23   44.152 -94.15295 63.31621 
1 1 1    1    7    6 f  3075.34   31.465   43.576   0.8904   42.442   1.2411   44.778   1.2781  3032.91   44.471  3115.25   44.588 -82.33643 62.97427 
1 1 1    1    7    7 o  1262.99   31.565   7.3483   0.3668   7.1306   0.4738   7.6739   0.5796  1243.59   41.406  1289.55   48.847 -45.96021 64.03483 
1 1 1    1    7    8 o  3452.41   34.008   54.920   1.0804   56.054   1.5688   53.898   1.4899  3485.05   48.921  3417.71   47.377 67.34546 68.10172 
1 1 1    1    7    9 o  1629.88   30.547   12.241   0.4581   12.029   0.6462   12.455   0.6496  1614.43   43.500  1642.84   42.972 -28.41431 61.14632 
1 1 1    1    7   10 o  1122.47   41.597   5.8225   0.4296   5.8585   0.6071   5.7865   0.6081  1121.91   59.014  1114.88   59.492 7.032837 83.79704 
1 1 1    1    7   11 o  590.246   48.683   1.6288   0.2620   1.8050   0.3639   1.4390   0.3777  617.904   64.971  547.787   77.061 70.11694 100.7955 
1 1 1    1    7   12 o  630.993   44.020   1.8599   0.2540   1.6289   0.3775   2.0511   0.3433  582.824   71.906  659.489   57.144 -76.66467 91.84760 
1 1 1    1    7   13 o  612.808   46.733   1.7642   0.2615   1.7270   0.3997   1.7920   0.3459  597.037   74.368  612.864   62.189 -15.82751 96.94389 
1 1 1    1    7   14 o  1137.78   37.724   6.0292   0.3950   5.7262   0.5915   6.2730   0.5305  1097.92   58.764  1155.29   49.907 -57.37610 77.09677 
1 1 1    1    7   15 o  873.183   43.369   3.5717   0.3485   3.1750   0.5109   3.9168   0.4765  809.617   69.244  906.691   57.408 -97.07416 89.94662 
1 1 1    1    7   16 o  867.888   46.233   3.5478   0.3679   3.5324   0.5509   3.5602   0.4942  852.891   70.838  861.062   62.812 -8.171021 94.67528 
1 1 1    1    7   17 f  288.660   91.187   0.4154   0.2710   0.7693   0.4149   0.1521   0.3579  380.912  111.357  243.502   99.889 137.4106 149.5937 
1 1 1    1    7   18 f  1006.71   43.912   4.7452   0.4068   5.6611   0.6245   4.0702   0.5361  1088.24   62.627  921.675   63.603 166.5692 89.26086 
1 1 1    1    7   19 o  594.924   63.999   1.6999   0.3448   1.2924   0.4884   2.1047   0.4869  498.200  109.531  654.093   82.750 -155.8938 137.2753 
1 1 1    1    7   20 o  318.892  107.806   0.4907   0.3759   0.8284   0.6063   0.2798   0.4792  401.354  136.905  293.062  117.255 108.2915 180.2548 
1 1 1    1    7   21 o  1257.17   52.753   7.4318   0.6103   6.5460   0.8329   8.4585   0.8967  1162.66   78.308  1325.83   73.793 -163.1683 107.5990 
1 1 1    1    7   22 o  1193.35   55.540   6.7369   0.6099   6.3008   0.8423   7.2177   0.8843  1134.12   81.247  1215.71   79.485 -81.59302 113.6612 
1 1 1    1    7   23 o  438.634  108.877   1.0389   0.4374   1.1974   0.6605   0.9151   0.5837  452.219  142.297  403.194  134.330 49.02588 195.6856 
1 1 1    1    7   24 o  554.638   84.522   1.5874   0.4177   1.9417   0.6226   1.2974   0.5633  584.850  119.730  468.715  127.313 116.1358 174.7677 
1 1 1    1    7   25 o  366.328  118.406   0.8029   0.4550   1.1954   0.7267   0.5499   0.5834  416.608  149.312  321.225  129.079 95.38297 197.3719 
1 1 1    1    9    0 o  472.717   37.317   1.0369   0.1610   0.9107   0.2291   1.1600   0.2263  439.905   58.026  498.590   49.990 -58.68500 76.58981 
1 1 1    1    9    1 o  801.727   31.781   2.9624   0.2345   2.9795   0.3333   2.9457   0.3299  802.047   45.348  797.492   45.136 4.554504 63.98196 
1 1 1    1    9    2 o  602.529   34.693   1.6793   0.1915   1.9287   0.2793   1.4579   0.2632  644.481   47.432  559.276   51.720 85.20496 70.17693 
1 1 1    1    9    3 o  1351.63   30.215   8.4182   0.3758   8.5152   0.5305   8.3204   0.5324  1358.38   42.441  1342.69   43.093 15.69006 60.48377 
1 1 1    1    9    4 o  955.421   32.869   4.2069   0.2890   4.2592   0.4093   4.1550   0.4081  960.533   46.305  948.679   46.745 11.85474 65.79728 
1 1 1    1    9    5 o  2483.11   31.202   28.406   0.7129   27.724   0.9994   29.113   1.0173  2451.45   44.305  2512.12   44.009 -60.66650 62.44757 
1 1 1    1    9    6 o  127.978   57.786  -0.0788   0.1447  -0.1637   0.2221  -0.0160   0.1908  151.834   69.716  163.459   70.294 -11.62498 99.00303 
1 1 1    1    9    7 o  1102.83   43.226   5.6096   0.4387   6.0999   0.8015   5.3999   0.5241  1144.49   76.549  1081.38   52.672 63.11694 92.91964 
1 1 1    1    9    8 o  1014.97   46.044   4.7561   0.4300   5.1278   0.7971   4.6035   0.5107  1046.56   83.471  996.196   55.941 50.36053 100.4828 
1 1 1    1    9    9 o  593.500   46.176   1.6387   0.2502   1.8092   0.3369   1.4292   0.3735  621.611   59.637  548.494   76.059 73.11694 96.65171 
1 1 1    1    9   10 o  470.048   74.580   1.0612   0.3118   0.9706   0.3610   1.3273   0.6189  444.966   91.224  511.681  130.909 -66.71448 159.5589 
1 1 1    1    9   11 o  762.297   45.872   2.7117   0.3203   2.6012   0.4099   2.8848   0.5131  742.673   60.514  778.369   72.465 -35.69604 94.40923 
1 1 1    1    9   12 o  613.245   59.508   1.7861   0.3316   1.3781   0.4528   2.2580   0.4869  524.011   97.491  682.636   78.974 -158.6241 125.4643 
1 1 1    1    9   13 o  746.502   44.606   2.6146   0.3050   2.9421   0.4573   2.3520   0.4094  784.280   63.917  700.590   64.218 83.69055 90.60545 
1 1 1    1    9   14 o  687.693   46.362   2.2295   0.2917   2.2350   0.4419   2.2253   0.3883  677.292   72.003  680.345   62.727 -3.052490 95.49369 
1 1 1    1    9   15 o  516.928   58.981   1.2868   0.2755   1.5300   0.4337   1.1222   0.3568  550.052   88.701  471.077   85.456 78.97549 123.1685 
1 1 1    1    9   16 o  878.189   47.038   3.6361   0.3787   4.1536   0.5993   3.2919   0.4887  924.932   70.952  826.557   64.770 98.37463 96.06985 
1 1 1    1    9   17 o  768.508   54.750   2.8089   0.3846   3.1987   0.6769   2.6230   0.4674  796.207   94.221  735.002   69.957 61.20551 117.3524 
1 1 1    1    9   18 o  1284.57   43.258   7.7186   0.5113   7.5739   0.7716   7.8318   0.6827  1256.59   66.978  1285.77   57.706 -29.17493 88.40796 
1 1 1    1    9   19 o  273.636  103.114   0.3013   0.3537   0.4798   0.6506   0.2265   0.4213  347.978  137.464  272.606  109.638 75.37292 175.8324 
1 1 1    1    9   20 o  668.311   63.286   2.1352   0.3845   1.5518   0.5693   2.6246   0.5215  544.406  117.122  734.579   78.359 -190.1736 140.9176 
1 1 1    1    9   21 o  1014.21   69.956   4.9481   0.6489   3.9212   1.1023   5.4926   0.8027  842.771  147.519  1059.58   82.988 -216.8108 169.2596 
1 1 1    1    9   22 o  394.864  117.783   0.8403   0.4604  -0.5805   1.0588   1.1715   0.5112  307.194  144.731  464.151  119.101 -156.9562 187.4356 
1 1 1    1    9   23 o  210.853   97.358  -0.2306   0.4417  -0.1113   0.7203  -0.3026   0.5592  279.627  127.313  232.389  108.074 47.23853 166.9989 
1 1 1    1    9   24 o  456.874  106.006   1.1679   0.4370   1.8564   0.6790   0.6809   0.5711  550.307  135.088  346.498  130.920 203.8093 188.1191 
1 1 1    1   11    0 o  1012.09   33.315   4.7209   0.3103   4.8575   0.4491   4.5961   0.4291  1025.71   47.584  997.798   46.738 27.91492 66.69819 
1 1 1    1   11    1 o  1804.29   31.051   15.000   0.5155   14.651   0.7209   15.365   0.7375  1781.85   43.966  1824.81   43.923 -42.95984 62.14677 
1 1 1    1   11    2 o  356.896   52.410   0.6008   0.1670   0.5738   0.2415   0.6255   0.2312  344.898   77.929  361.079   72.099 -16.18176 106.1663 
1 1 1    1   11    3 o  2434.08   30.813   27.294   0.6901   27.623   0.9767   26.966   0.9753  2447.17   43.373  2417.81   43.840 29.35791 61.66964 
1 1 1    1   11    4 o  2774.41   31.142   35.459   0.7950   35.404   1.1161   35.516   1.1328  2770.54   43.781  2774.81   44.365 -4.267578 62.32955 
1 1 1    1   11    5 o  2163.27   37.282   21.570   0.7421   22.131   0.9270   20.569   1.2385  2190.18   45.998  2108.75   63.825 81.42651 78.67242 
1 1 1    1   11    6 o  1052.01   43.322   5.1057   0.4194   4.6177   0.7201   5.3561   0.5159  994.212   79.374  1076.84   52.062 -82.63287 94.92455 
1 1 1    1   11    7 o  1854.08   41.876   15.867   0.7144   14.879   1.2346   16.364   0.8760  1789.13   74.992  1881.52   50.598 -92.38721 90.46490 
1 1 1    1   11    8 o  782.276   44.154   2.8388   0.3165   3.2540   0.4731   2.5023   0.4259  834.550   62.053  730.865   63.972 103.6844 89.12337 
1 1 1    1   11    9 o  1066.16   61.125   5.3205   0.5972   5.0986   0.7989   5.6016   0.8990  1035.57   84.574  1083.04   91.053 -47.46826 124.2721 
1 1 1    1   11   10 o  674.421   65.935   2.1583   0.4039   2.5785   0.4969   1.3391   0.6938  734.765   74.519  505.286  142.853 229.4788 161.1214 
1 1 1    1   11   11 o  741.103   47.727   2.5746   0.3237   2.1177   0.4033   3.4022   0.5428  665.800   66.732  843.662   70.569 -177.8611 97.12453 
1 1 1    1   11   12 f  255.297   93.060   0.2767   0.2838   0.7467   0.3921  -0.2405   0.4114  379.485  107.438  206.089   94.720 173.3960 143.2302 
1 1 1    1   11   13 o  763.229   51.670   2.7588   0.3607   2.7503   0.4704   2.7711   0.5621  753.999   68.549  748.548   83.002 5.450989 107.6493 
1 1 1    1   11   14 o  270.202   93.050   0.3469   0.2803   0.4093   0.3722   0.2652   0.4259  295.787  106.759  276.168  110.527 19.61905 153.6680 
1 1 1    1   11   15 f  533.051   62.356   1.3755   0.3001   1.0993   0.4321   1.6329   0.4171  455.939  105.137  571.984   81.550 -116.0460 133.0573 
1 1 1    1   11   16 o  599.847   55.638   1.7201   0.3036   1.7219   0.4675   1.7188   0.3993  583.328   89.991  590.750   75.150 -7.422668 117.2425 
1 1 1    1   11   17 o  685.838   66.554   2.2740   0.4147   2.7350   0.9002   2.1497   0.4673  696.164  145.220  660.618   78.400 35.54547 165.0316 
1 1 1    1   11   18 o  396.163   97.481   0.8088   0.3529   0.6096   0.8004   0.8569   0.3932  378.868  151.562  405.499  104.672 -26.63104 184.1933 
1 1 1    1   11   19 o  679.081   71.115   2.2266   0.4378   3.0113   0.7744   1.8580   0.5307  765.649  113.345  606.859   98.413 158.7902 150.1067 
1 1 1    1   11   20 o  724.440   60.439   2.5020   0.3992   2.7069   0.6041   2.3431   0.5319  738.222   90.854  688.982   85.752 49.23993 124.9316 
1 1 1    1   11   21 o  860.931   77.912   3.6258   0.6105   3.1297   0.7751   4.4366   0.9910  775.940  111.784  917.834  120.229 -141.8950 164.1665 
1 1 1    1   11   22 o  429.676  103.376   0.9840   0.4038   0.8171   0.5927   1.1284   0.5515  385.693  135.171  447.160  127.704 -61.46661 185.9552 
1 1 1    1   11   23 o  765.604   80.844   2.9722   0.5609   1.8047   0.8525   3.8637   0.7449  520.466  161.311  858.218   95.969 -337.7516 187.7003 
1 1 1    1   11   24 o  202.518   93.704  -0.1845   0.4123  -0.4293   0.6091   0.0225   0.5602  225.111  107.147  254.168  114.328 -29.05692 156.6893 
1 1 1    1   13    0 o  2448.08   32.804   27.613   0.7390   26.032   1.0097   29.436   1.0844  2375.29   46.195  2525.77   46.659 -150.4734 65.65826 
1 1 1    1   13    1 o  997.762   36.876   4.5886   0.3386   4.5034   0.4738   4.6775   0.4840  986.159   52.400  1005.09   52.512 -18.92584 74.18357 
1 1 1    1   13    2 o  1100.56   36.007   5.5826   0.3646   5.9215   0.5250   5.2667   0.5068  1132.52   50.382  1067.99   51.572 64.53149 72.09727 
1 1 1    1   13    3 o  623.490   43.552   1.8020   0.2483   2.4088   0.3770   1.3373   0.3300  719.627   57.413  533.003   68.888 186.6238 89.67680 
1 1 1    1   13    4 o  2046.02   33.493   19.293   0.6306   19.324   0.8805   19.261   0.9034  2045.97   46.772  2042.42   48.071 3.550537 67.07050 
1 1 1    1   13    5 o  1036.05   43.956   4.9561   0.4191   4.9969   0.7386   4.9368   0.5089  1033.46   78.246  1031.73   53.790 1.736450 94.95144 
1 1 1    1   13    6 o  1647.95   42.243   12.549   0.6406   13.130   1.1536   12.289   0.7702  1678.03   74.710  1629.16   51.380 48.87256 90.67268 
1 1 1    1   13    7 o  384.311   64.406   0.7066   0.2197   0.3891   0.2976   1.0871   0.3257  291.720   95.850  475.808   77.035 -184.0879 122.9695 
1 1 1    1   13    8 o  512.602   59.014   1.2427   0.2733   1.5205   0.4133   1.0268   0.3643  561.166   82.494  457.174   89.802 103.9922 121.9417 
1 1 1    1   13    9 o  651.354   75.198   2.0372   0.4424   2.8172   0.6121   1.1843   0.6401  761.413   89.054  475.598  138.106 285.8149 164.3289 
1 1 1    1   13   10 o  776.920   51.724   2.8398   0.3677   3.0688   0.5278   2.6238   0.5125  799.498   72.527  736.968   76.696 62.52985 105.5577 
1 1 1    1   13   11 o  483.358   74.749   1.1471   0.3217   1.5766   0.4652   0.7534   0.4454  559.348   93.705  379.944  116.413 179.4038 149.4412 
1 1 1    1   13   12 o  317.586  110.187   0.4950   0.3934   1.4305   0.6300  -0.1029   0.5036  506.638  133.322  243.470  109.041 263.1677 172.2345 
1 1 1    1   13   13 o  348.480  105.333   0.6376   0.3664   0.1359   0.5744   0.9818   0.4757  284.235  122.094  424.551  117.692 -140.3163 169.5831 
1 1 1    1   13   14 o  620.206   66.240   1.8696   0.3722   2.0972   0.4904   1.5606   0.5715  647.028   84.384  535.723  119.022 111.3044 145.9004 
1 1 1    1   13   15 o  361.401   97.091   0.6829   0.3298   1.1066   0.4251   0.0425   0.5226  458.119  103.298  262.987  114.697 195.1317 154.3563 
1 1 1    1   13   16 o  919.726   54.992   4.0228   0.4633   4.3869   0.6123   3.5353   0.7085  950.836   70.483  836.743   93.624 114.0927 117.1890 
1 1 1    1   13   17 o  1208.38   49.773   6.8706   0.5534   6.9470   0.7609   6.7848   0.8064  1201.03   69.145  1182.68   74.480 18.34851 101.6282 
1 1 1    1   13   18 o  230.839   99.763   0.0132   0.3881  -0.0787   0.5700   0.0926   0.5299  263.507  117.148  274.885  117.650 -11.37845 166.0278 
1 1 1    1   13   19 o  965.614   51.460   4.3939   0.4556   4.0610   0.6830   4.6608   0.6115  911.602   82.311  986.135   67.803 -74.53271 106.6413 
1 1 1    1   13   20 o  290.208  102.481   0.3922   0.3411   0.2258   0.5168   0.5207   0.4542  288.761  119.408  329.610  118.048 -40.84958 167.9089 
1 1 1    1   13   21 o  255.022  111.042   0.0392   0.4880   0.1042   0.6378  -0.0527   0.7580  291.340  126.897  296.109  133.111 -4.769287 183.9062 
1 1 1    1   13   22 o  761.681   65.797   2.8385   0.4566   3.1756   0.6828   2.5658   0.6142  779.850   97.269  699.537   98.112 80.31226 138.1561 
1 1 1    1   13   23 o  898.442   77.828   4.1123   0.6371   4.0724   1.0291   4.1372   0.8112  809.497  143.404  870.588  103.274 -61.09003 176.7207 
1 1 1    1   13   24 o  324.138  121.720   0.6190   0.4920   0.7082   0.8117   0.5673   0.6185  343.567  146.294  320.059  131.306 23.50775 196.5787 
1 1 1    1   15    0 o  1069.92   39.327   5.2825   0.3872   5.6059   0.5601   4.9866   0.5358  1099.17   55.560  1036.38   56.395 62.79138 79.16637 
1 1 1    1   15    1 o  1380.32   37.217   8.7903   0.4727   8.5799   0.6662   9.0038   0.6708  1361.73   53.167  1395.10   52.256 -33.36816 74.54842 
1 1 1    1   15    2 o  701.093   44.855   2.2805   0.2879   2.4909   0.4258   2.1034   0.3906  729.829   64.053  670.183   64.128 59.64630 90.63742 
1 1 1    1   15    3 o  1640.32   41.807   12.433   0.6310   12.473   1.0998   12.413   0.7705  1635.75   73.066  1637.28   51.140 -1.530762 89.18535 
1 1 1    1   15    4 o  1239.18   43.906   7.1042   0.5006   6.8895   0.8701   7.2104   0.6121  1210.56   78.540  1246.77   53.354 -36.20752 94.94858 
1 1 1    1   15    5 o  1251.39   38.734   7.2433   0.4460   7.0979   0.6175   7.4020   0.6449  1235.59   54.313  1261.48   55.559 -25.88660 77.69633 
1 1 1    1   15    6 o  1329.62   53.361   8.2368   0.6529   7.6220   0.8876   8.9612   0.9636  1268.62   76.395  1375.90   76.410 -107.2756 108.0493 
1 1 1    1   15    7 o  1033.46   60.554   5.0271   0.5733   4.7169   0.7482   5.4682   0.8923  991.313   82.785  1062.68   92.161 -71.36853 123.8833 
1 1 1    1   15    8 o  394.534  101.932   0.7915   0.3727   0.8080   0.4633   0.7613   0.6274  396.982  118.095  394.726  139.027 2.256561 182.4148 
1 1 1    1   15    9 o  495.164   73.698   1.1971   0.3256   1.7512   0.5542   0.9052   0.4023  584.778  106.939  418.525  104.715 166.2534 149.6701 
1 1 1    1   15   10 o  874.745   53.550   3.6236   0.4290   3.3431   0.6081   3.9014   0.6052  825.086   81.148  896.429   74.028 -71.34302 109.8416 
1 1 1    1   15   11 o  215.177   91.600   0.0494   0.3181  -0.5072   0.3836   1.2750   0.5691  171.375   82.482  479.887  126.934 -308.5116 151.3790 
1 1 1    1   15   12 o  741.441   60.536   2.6445   0.4094   3.4293   0.6049   1.9812   0.5561  832.027   79.997  617.334  101.424 214.6937 129.1754 
1 1 1    1   15   13 o  657.735   66.794   2.1054   0.3986   1.9515   0.5583   2.2655   0.5694  611.233  102.927  664.359   95.917 -53.12665 140.6915 
1 1 1    1   15   14 o  502.730   72.385   1.2489   0.3252   0.7905   0.4016   2.1212   0.5541  384.090  108.731  642.354   96.746 -258.2642 145.5412 
1 1 1    1   15   15 o  745.524   59.682   2.6673   0.4060   2.7863   0.5192   2.4801   0.6513  752.667   76.006  689.581  106.043 63.08582 130.4690 
1 1 1    1   15   16 o  937.339   55.062   4.1734   0.4728   4.5594   0.6264   3.6621   0.7209  970.223   70.648  853.275   93.339 116.9482 117.0608 
1 1 1    1   15   17 o  1833.65   53.495   15.850   0.9026   14.821   1.2840   16.855   1.2691  1747.58   79.845  1870.78   73.723 -123.2034 108.6756 
1 1 1    1   15   18 o  326.600  112.159   0.5202   0.4071   0.8599   0.6367   0.2855   0.5294  405.000  140.210  300.930  122.237 104.0699 186.0120 
1 1 1    1   15   19 o  1277.50   52.522   7.6936   0.6174   7.2904   0.8381   8.1723   0.9130  1226.75   74.596  1297.08   76.841 -70.32690 107.0938 
1 1 1    1   15   20 o  450.755  111.429   1.0896   0.4595   1.3144   0.5609   0.6306   0.8015  488.297  124.465  374.323  150.983 113.9741 195.6713 
1 1 1    1   15   21 o  319.829  113.447   0.5233   0.4185   0.3522   0.5678   0.7268   0.6193  306.430  125.772  367.147  136.819 -60.71667 185.8443 
1 1 1    1   15   22 o  423.483  113.266   1.0271   0.4500   1.1477   0.6047   0.8775   0.6735  429.961  136.255  380.178  142.485 49.78357 197.1482 
1 1 1    1   15   23 o  214.062  100.224  -0.2468   0.4942  -0.7590   0.7844   0.0903   0.6363  233.910  113.848  269.475  121.471 -35.56476 166.4832 
1 1 1    1   17    0 o  1074.34   48.727   5.3614   0.4817   4.8453   0.8091   5.6448   0.5995  1006.98   88.212  1098.25   59.547 -91.26990 106.4293 
1 1 1    1   17    1 o  749.953   55.595   2.6348   0.3809   2.7697   0.6593   2.5672   0.4667  755.747   97.044  736.468   69.698 19.27850 119.4795 
1 1 1    1   17    2 o  1142.11   48.143   6.0637   0.5059   6.3617   0.9112   5.9309   0.6083  1153.83   86.455  1125.18   58.961 28.64832 104.6464 
1 1 1    1   17    3 o  1638.85   44.445   12.477   0.6702   13.418   1.1925   12.042   0.8103  1683.44   76.981  1606.03   54.833 77.41089 94.51320 
1 1 1    1   17    4 o  313.764   90.007   0.4849   0.2734   0.6237   0.4374   0.3958   0.3502  357.775  116.146  297.593  103.929 60.18210 155.8563 
1 1 1    1   17    5 o  563.739   56.215   1.5040   0.2877   1.6907   0.4067   1.3169   0.4071  591.413   76.525  516.477   88.866 74.93573 117.2741 
1 1 1    1   17    6 o  470.196   89.970   1.1041   0.3751   1.1134   0.4752   1.0888   0.6109  463.661  112.523  452.434  135.843 11.22705 176.3938 
1 1 1    1   17    7 o  692.350   75.775   2.3284   0.4749   1.8547   0.5862   3.2329   0.8100  599.744  110.280  792.843  114.329 -193.0989 158.8486 
1 1 1    1   17    8 o  452.327   73.867   1.0089   0.2968   1.1575   0.4262   0.8689   0.4136  472.993  101.001  406.211  108.576 66.78189 148.2899 
1 1 1    1   17    9 o  496.695   69.292   1.2087   0.3081   1.5259   0.4537   0.9373   0.4197  546.689   93.549  419.785  108.017 126.9036 142.8950 
1 1 1    1   17   10 o  319.148  101.243   0.5252   0.3338   0.2562   0.4382   0.8972   0.5153  275.698  111.483  402.960  125.507 -127.2626 167.8709 
1 1 1    1   17   11 o  302.784  100.272   0.4645   0.3254   0.3626   0.4134   0.6304   0.5278  289.717  110.925  349.971  127.000 -60.25409 168.6215 
1 1 1    1   17   12 o  867.263   57.372   3.6034   0.4553   4.1534   0.6688   3.1285   0.6214  914.545   80.290  787.812   87.189 126.7328 118.5253 
1 1 1    1   17   13 o  298.837  101.930   0.4447   0.3361   0.4052   0.4811   0.4822   0.4698  306.531  119.047  318.880  119.104 -12.34933 168.3978 
1 1 1    1   17   14 o  499.072   85.274   1.2620   0.3775   2.4718   0.6237   0.5623   0.4743  690.973  101.079  335.097  120.571 355.8755 157.3351 
1 1 1    1   17   15 o  268.566  100.239   0.3079   0.3327   0.4793   0.4424   0.0847   0.5047  318.084  116.142  265.261  114.203 52.82257 162.8841 
1 1 1    1   17   16 o  388.502   98.608   0.7822   0.3531   1.4173   0.4722  -0.0237   0.5319  524.379  101.529  259.759  114.430 264.6205 152.9782 
1 1 1    1   17   17 o  642.682   84.965   2.0465   0.4901   2.3633   0.7418   1.8009   0.6530  665.412  125.754  578.570  126.213 86.84247 178.1674 
1 1 1    1   17   18 o  637.533   80.236   2.0048   0.4603   3.5037   0.6417   0.4165   0.6605  842.652   83.873  336.449  136.588 506.2031 160.2838 
1 1 1    1   17   19 o  861.039   79.537   3.6577   0.6230   3.3626   0.6857   5.0558   1.4924  815.430   93.047  892.956  187.594 -77.52600 209.4017 
1 1 1    1   17   20 o  354.613  122.187   0.6793   0.4833   0.6040   0.6754   0.7584   0.6919  352.688  139.822  375.575  143.577 -22.88724 200.4111 
1 1 1    1   17   21 o  463.871  112.296   1.2178   0.4742   0.7429   0.6487   1.7629   0.6949  360.962  138.776  533.861  139.807 -172.8983 196.9899 
1 1 1    1   17   22 f  255.954  107.103   0.2315   0.4228   0.8266   0.6056  -0.3344   0.5906  361.171  135.164  226.884  107.259 134.2873 172.5514 
1 1 1    1   19    0 o  481.207   84.104   1.1451   0.3588   0.9311   0.6747   1.2295   0.4238  424.240  144.417  494.004   96.683 -69.76453 173.7924 
1 1 1    1   19    1 o  996.979   53.366   4.6774   0.4878   5.3747   0.8793   4.3674   0.5863  1046.53   92.251  957.141   66.992 89.39069 114.0093 
1 1 1    1   19    2 o  853.567   57.074   3.4462   0.4457   3.5821   0.7708   3.3780   0.5463  846.717  100.921  838.597   71.474 8.120422 123.6674 
1 1 1    1   19    3 o  708.158   59.973   2.3869   0.3871   2.5437   0.6651   2.3066   0.4761  708.103  105.274  689.022   76.377 19.08124 130.0616 
1 1 1    1   19    4 o  563.063   90.058   1.5870   0.4509   1.5298   0.6057   1.6581   0.6751  533.823  125.443  550.893  134.385 -17.06976 183.8351 
1 1 1    1   19    5 o  348.734  104.660   0.6285   0.3627   0.6004   0.4539   0.6781   0.6030  345.492  118.454  369.923  135.519 -24.43140 179.9910 
1 1 1    1   19    6 o  518.929   66.200   1.3099   0.3089   1.7420   0.4439   0.9043   0.4301  590.583   84.061  411.659  111.010 178.9242 139.2462 
1 1 1    1   19    7 o  397.227   88.927   0.8127   0.3169   1.5780   0.4433   0.0123   0.4533  557.264   89.473  243.851  106.577 313.4129 139.1543 
1 1 1    1   19    8 o  451.651   79.438   1.0284   0.3181   1.6505   0.4431   0.3673   0.4568  570.109   87.250  296.590  115.782 273.5189 144.9762 
1 1 1    1   19    9 o  401.990   95.326   0.8505   0.3473   0.7505   0.4294   1.0395   0.5903  371.472  114.387  425.353  134.597 -53.88162 176.6378 
1 1 1    1   19   10 o  332.050  106.111   0.5809   0.3662   0.6673   0.4658   0.4413   0.5924  353.152  119.999  323.797  130.084 29.35443 176.9790 
1 1 1    1   19   11 o  1245.28   49.104   7.3365   0.5627   7.1573   0.8007   7.5113   0.7909  1208.94   72.307  1241.39   69.515 -32.44629 100.3030 
1 1 1    1   19   12 o  517.212   80.170   1.3452   0.3692   1.0565   0.5193   1.6403   0.5250  434.219  123.877  555.515  106.593 -121.2952 163.4245 
1 1 1    1   19   13 o  176.110   82.248  -0.2597   0.3293  -0.3462   0.4535  -0.1631   0.4790  204.622   95.872  229.002  104.091 -24.37947 141.5143 
1 1 1    1   19   14 o  919.126   63.624   4.0648   0.5348   3.8666   0.7501   4.2697   0.7627  873.625   94.835  921.533   91.134 -47.90814 131.5258 
1 1 1    1   19   15 o  604.635   86.332   1.8259   0.4667   0.8084   0.6415   2.9699   0.6802  392.943  140.339  764.884   98.966 -371.9407 171.7246 
1 1 1    1   19   16 o  153.499   76.366  -0.9871   0.4235  -0.4799   0.8491  -1.1550   0.4885  283.077  132.158  163.367   81.397 119.7107 155.2134 
1 1 1    1   19   17 o  853.854   62.151   3.4940   0.4850   3.2262   0.6303   3.8827   0.7593  805.613   86.369  877.396   95.596 -71.78284 128.8335 
1 1 1    1   19   18 o  791.968   70.085   3.0567   0.5055   3.7233   0.6824   2.2466   0.7524  861.890   87.249  633.724  133.247 228.1656 159.2706 
1 1 1    1   19   19 o  596.577  108.225   1.9140   0.5722   1.7857   0.6264   2.5613   1.4065  562.902  124.260  568.590  207.177 -5.687561 241.5839 
1 1 1    1   19   20 o  326.820  121.374   0.5737   0.4865   1.1280   0.6583  -0.0934   0.7222  422.528  142.660  274.527  125.927 148.0009 190.2878 
1 1 1    1   19   21 o  256.492  110.123   0.1897   0.4668   0.3735   0.6043  -0.0823   0.7352  296.669  126.273  268.633  124.588 28.03653 177.3893 
1 1 1    1   19   22 o  239.907  119.242  -1.2562   1.0225  -0.7296   1.2025  -2.6310   1.9428  276.096  135.747  282.126  143.231 -6.029694 197.3378 
1 1 1    1   21    0 o  732.716   62.744   2.5863   0.4190   2.5830   0.6115   2.5893   0.5751  711.923   95.779  717.411   89.037 -5.487671 130.7716 
1 1 1    1   21    1 o  984.954   60.394   4.6476   0.5447   4.5674   0.9419   4.6879   0.6677  933.514  111.881  979.120   74.673 -45.60651 134.5123 
1 1 1    1   21    2 o  645.387   90.517   2.1116   0.5228   2.3487   0.7759   1.9145   0.7075  647.536  134.604  582.796  134.634 64.73926 190.3800 
1 1 1    1   21    3 o  336.866  106.440   0.5941   0.3692   0.3177   0.4328   1.3331   0.7077  285.105  112.280  475.556  146.910 -190.4506 184.9031 
1 1 1    1   21    4 o  259.959   95.180   0.3018   0.2974   0.3165   0.3903   0.2814   0.4592  277.550  107.385  282.507  114.165 -4.956787 156.7331 
1 1 1    1   21    5 o  387.446   94.701   0.7901   0.3348   0.5472   0.4464   1.1022   0.5060  328.064  117.085  444.428  120.646 -116.3638 168.1202 
1 1 1    1   21    6 o  213.445   90.286   0.0703   0.3057   0.0617   0.4059   0.0815   0.4647  237.381  102.312  253.037  109.262 -15.65547 149.6863 
1 1 1    1   21    7 o  556.487   73.166   1.5391   0.3656   1.5859   0.4792   1.4741   0.5655  549.522   98.376  512.918  121.652 36.60455 156.4514 
1 1 1    1   21    8 o  141.765   69.371  -0.5299   0.3027  -0.8312   0.3714   0.0662   0.5225  144.805   71.955  262.337  114.542 -117.5326 135.2682 
1 1 1    1   21    9 f  485.491   93.212   1.2288   0.4013   1.4302   0.5161   0.9210   0.6380  511.699  112.669  400.518  140.250 111.1811 179.9012 
1 1 1    1   21   10 o  460.188   92.766   1.1045   0.3793   1.2732   0.5356   0.9350   0.5371  476.301  121.743  405.923  128.385 70.37793 176.9291 
1 1 1    1   21   11 o  1166.96   61.795   6.5645   0.6612   6.1391   0.8225   7.3415   1.1116  1110.44   81.056  1188.35  102.667 -77.90857 130.8077 
1 1 1    1   21   12 o  415.530   99.713   0.9126   0.3764   0.4542   0.5168   1.4302   0.5493  318.946  123.526  510.376  119.125 -191.4297 171.6082 
1 1 1    1   21   13 o  447.260   99.112   1.0452   0.3972   1.0935   0.5548   0.9944   0.5688  443.197  128.538  422.572  131.903 20.62567 184.1744 
1 1 1    1   21   14 o  747.678   72.592   2.7225   0.4931   2.9651   0.7098   2.4961   0.6856  759.466  104.322  690.867  111.660 68.59857 152.8110 
1 1 1    1   21   15 f  546.397  116.374   1.5928   0.5672   0.4849   1.0265   2.0796   0.6805  382.792  163.794  621.474  123.345 -238.6819 205.0426 
1 1 1    1   21   16 o  446.167  117.139   1.0801   0.4870   0.3734   0.6925   1.7720   0.6852  331.847  137.805  562.167  134.292 -230.3197 192.4184 
1 1 1    1   21   17 o  382.074  118.365   0.7977   0.4590   0.0750   0.6037   1.7885   0.7068  280.382  122.751  556.189  138.608 -275.8064 185.1487 
1 1 1    1   21   18 o  452.307  118.703   1.1582   0.5003   0.8191   0.5372   3.3738   1.3730  379.203  128.864  660.939  204.705 -281.7364 241.8891 
1 1 1    1   21   19 o  269.260  111.746   0.2569   0.4549   0.6055   0.6062  -0.1926   0.6884  336.021  132.700  259.669  120.474 76.35190 179.2297 
1 1 1    1   21   20 o  187.580   90.440  -0.4949   0.4660  -0.2689   0.6536  -0.7286   0.6645  241.314  113.698  214.568  104.512 26.74538 154.4344 
1 1 1    1   21   21 o  277.605  136.537  -0.6599   1.2201  -0.6599   1.2201   0.0000   0.0000  277.605  136.537  ?   ?  0.000000 136.5366 
1 1 1    1   23    0 o  382.428  119.229   0.8167   0.4649   0.5807   0.5646   1.3137   0.8193  339.766  129.749  455.898  158.972 -116.1317 205.2000 
1 1 1    1   23    1 o  288.524  106.881   0.3927   0.3768   0.3595   0.5447   0.4232   0.5218  303.750  123.757  310.594  122.971 -6.844025 174.4641 
1 1 1    1   23    2 o  675.856   69.615   2.2516   0.4267   2.5309   0.6174   1.9961   0.5905  694.367   99.473  607.710  109.633 86.65717 148.0343 
1 1 1    1   23    3 o  244.628   99.465   0.1895   0.3509   1.0584   0.5220  -0.5272   0.4741  429.894  124.675  193.526   92.766 236.3677 155.4003 
1 1 1    1   23    4 o  522.932   84.182   1.3981   0.3913   1.8818   0.5371   0.8508   0.5713  595.636  101.640  386.148  132.862 209.4878 167.2815 
1 1 1    1   23    5 o  274.764  117.215   0.1745   0.5228  -0.6094   0.7668   0.8555   0.7148  251.125  119.719  388.093  146.509 -136.9672 189.2027 
1 1 1    1   23    6 o  313.020  124.449   0.4299   0.5364   0.2419   0.8519   0.5534   0.6905  327.917  144.620  345.192  139.822 -17.27451 201.1597 
1 1 1    1   23    7 o  427.642  128.162   1.0556   0.5441   2.5486   0.9450   0.3152   0.6655  634.536  161.460  313.348  132.912 321.1878 209.1295 
1 1 1    1   23    8 o  817.299   62.680   3.2420   0.4678   3.3961   0.6413   3.0667   0.6839  817.993   86.513  765.971   99.370 52.02222 131.7530 
1 1 1    1   23    9 o  816.634   64.610   3.2436   0.4815   2.7979   0.6537   3.7724   0.7120  731.894   99.659  858.685   91.524 -126.7906 135.3089 
1 1 1    1   23   10 o  764.828   67.093   2.8524   0.4674   3.6660   0.6746   2.1012   0.6482  851.848   87.300  620.629  117.812 231.2189 146.6317 
1 1 1    1   23   11 o  646.581   78.710   2.0783   0.4586   2.5483   0.6438   1.5941   0.6535  699.438  103.124  529.024  134.078 170.4137 169.1494 
1 1 1    1   23   12 o  172.652   82.134  -0.3915   0.3569  -0.7748   0.4693   0.1343   0.5498  177.730   86.843  280.008  119.841 -102.2782 147.9988 
1 1 1    1   23   13 o  616.734   81.712   1.8915   0.4523   1.7016   0.6300   2.0935   0.6498  557.406  125.805  626.524  117.017 -69.11719 171.8139 
1 1 1    1   23   14 f  497.181  115.652   1.3335   0.5191   2.7314   1.1558   0.9802   0.5810  649.308  184.672  419.624  133.618 229.6843 227.9418 
1 1 1    1   23   15 o  579.798   94.575   1.7300   0.4872   2.5489   0.7457   1.1202   0.6435  683.195  123.150  440.403  140.657 242.7918 186.9499 
1 1 1    1   23   16 o  420.963  118.362   0.9922   0.4776   0.6467   0.6408   1.4239   0.7164  355.966  137.636  483.159  147.571 -127.1922 201.7945 
1 1 1    1   23   17 o  793.280  113.125   3.4692   0.8024   3.4220   0.9428   3.5932   1.5281  755.379  140.818  638.806  217.344 116.5730 258.9752 
1 1 1    1   23   18 o  227.371  103.054  -0.0682   0.4653  -0.1984   0.6307   0.0873   0.6892  246.912  114.812  280.297  126.379 -33.38515 170.7440 
1 1 1    1   23   19 o  299.394  125.437   0.4530   0.5810   0.6314   0.9203   0.3348   0.7492  334.587  148.797  299.280  133.593 35.30731 199.9690 
1 1 1    1   23   20 o  196.048   94.879  -0.4953   0.5248  -0.6225   0.5685   0.2377   1.3648  196.929   96.084  314.622  152.443 -117.6927 180.1970 
1 1 1    1   25    0 o  273.149  106.933   0.3109   0.3905  -0.0890   0.5203   0.8267   0.5910  242.727  109.589  380.021  134.812 -137.2937 173.7353 
1 1 1    1   25    1 o  489.613  112.296   1.3277   0.4952   1.1922   0.5969   1.6265   0.8866  447.777  134.246  493.767  165.563 -45.98978 213.1506 
1 1 1    1   25    2 o  828.410   76.138   3.4260   0.5739   3.6944   0.6833   2.7836   1.0572  848.858   88.799  642.713  174.340 206.1450 195.6522 
1 1 1    1   25    3 o  492.687  112.567   1.3444   0.4992   1.5113   0.6004   0.9708   0.8982  510.680  128.017  404.861  161.011 105.8189 205.7011 
1 1 1    1   25    4 o  514.976  107.805   1.4440   0.4945   1.5827   0.6123   1.1841   0.8383  523.226  128.189  433.090  159.617 90.13599 204.7200 
1 1 1    1   25    5 o  591.913   86.737   1.7979   0.4584   2.0671   0.6365   1.5076   0.6608  610.829  117.503  501.686  138.563 109.1425 181.6770 
1 1 1    1   25    6 o  534.008   85.123   1.4605   0.4042   1.1115   0.5327   1.9341   0.6206  439.733  125.482  590.391  118.362 -150.6582 172.4976 
1 1 1    1   25    7 o  1024.01   60.461   5.0624   0.5672   4.9585   0.7685   5.1866   0.8405  991.098   85.094  1006.67   91.748 -15.56946 125.1348 
1 1 1    1   25    8 o  225.364   96.599   0.0584   0.3582  -0.1233   0.4611   0.3349   0.5688  227.604  102.924  305.230  125.649 -77.62616 162.4220 
1 1 1    1   25    9 o  206.939   92.030  -0.0621   0.3521  -0.2594   0.4437   0.2732   0.5785  209.830   97.129  299.963  125.374 -90.13315 158.5963 
1 1 1    1   25   10 o  1127.65   72.413   6.2010   0.7474   5.0705   1.3103   6.7461   0.9099  927.112  159.342  1163.52   85.592 -236.4092 180.8753 
1 1 1    1   25   11 o  365.406  126.067   0.7051   0.5146   0.4902   0.9598   0.7917   0.6096  371.931  158.743  384.347  136.852 -12.41653 209.5898 
1 1 1    1   25   12 o  425.370  132.584   1.0175   0.5750   0.5679   1.1411   1.1705   0.6656  392.996  170.455  449.949  142.987 -56.95322 222.4863 
1 1 1    1   25   13 o  510.198  124.984   1.4556   0.5821   1.0476   1.1857   1.5851   0.6682  433.347  180.172  523.783  137.057 -90.43613 226.3769 
1 1 1    1   25   14 o  460.523  115.478   1.1764   0.4885   2.2626   0.7328   0.3082   0.6552  630.494  130.614  312.211  132.125 318.2837 185.7876 
1 1 1    1   25   15 o  743.222   84.380   2.8236   0.5668   3.0278   0.8126   2.6300   0.7911  729.055  125.670  670.949  132.834 58.10553 182.8599 
1 1 1    1   25   16 o  520.104  144.297   1.7462   0.7148   2.0033   0.8360   1.0470   1.3785  540.551  158.080  400.177  179.732 140.3735 239.3593 
1 1 1    1   25   17 o  309.476  125.372   0.5103   0.5552   0.2565   0.7060   0.9219   0.8989  292.361  130.154  367.796  155.156 -75.43506 202.5171 
1 1 1    1   25   18 f  313.388  131.139   0.5889   0.6339   0.4254   0.8108   0.8460   1.0169  304.692  137.251  344.264  154.512 -39.57224 206.6687 
1 1 1    1   27    0 o  720.789   81.431   2.6246   0.5306   2.7831   0.7436   2.4601   0.7574  710.238  117.909  655.175  130.227 55.06281 175.6752 
1 1 1    1   27    1 o  653.905   86.367   2.1872   0.5070   2.4242   0.7327   1.9695   0.7022  654.233  126.285  580.611  134.127 73.62195 184.2225 
1 1 1    1   27    2 o  647.590   89.988   2.1618   0.5217   1.9828   0.7102   2.3716   0.7690  581.974  135.200  638.565  135.093 -56.59052 191.1261 
1 1 1    1   27    3 o  304.301  115.019   0.4398   0.4409   0.8358   0.5808  -0.0986   0.6772  383.307  133.839  272.590  123.850 110.7175 182.3506 
1 1 1    1   27    4 o  671.659   82.276   2.2780   0.4979   2.1525   0.6674   2.4355   0.7476  622.568  120.863  656.073  128.428 -33.50500 176.3562 
1 1 1    1   27    5 o  239.036  103.548   0.0521   0.4201  -0.5773   0.5224   1.2031   0.7065  202.787   97.252  446.301  147.738 -243.5139 176.8739 
1 1 1    1   27    6 o  815.551   71.525   3.2657   0.5313   3.8599   0.7190   2.5509   0.7886  870.745   91.087  671.878  132.269 198.8675 160.5991 
1 1 1    1   27    7 o  378.231  117.217   0.7796   0.4501   2.0782   0.6291  -0.5824   0.6443  621.322  114.248  231.584  110.221 389.7381 158.7486 
1 1 1    1   27    8 f  527.740  101.434   1.4622   0.4747   1.1680   0.6190   1.8823   0.7397  450.226  137.091  569.084  141.772 -118.8579 197.2140 
1 1 1    1   27    9 o  342.004  116.082   0.6115   0.4359   0.3950   0.5733   0.9083   0.6711  316.475  127.677  402.694  143.575 -86.21896 192.1333 
1 1 1    1   27   10 o  568.571   94.839   1.6714   0.4787   1.4635   0.6272   1.9615   0.7408  505.187  133.077  581.219  140.150 -76.03204 193.2657 
1 1 1    1   27   11 o  648.047   84.861   2.1271   0.4939   1.7459   0.6485   2.6536   0.7621  553.581  129.592  691.630  124.320 -138.0496 179.5814 
1 1 1    1   27   12 o  687.397  127.798   2.6800   0.7786   3.0406   1.2349   2.4420   1.0031  646.805  192.906  604.095  172.117 42.71027 258.5290 
1 1 1    1   27   13 f  554.437  120.707   1.7574   0.5983   1.3370   0.7394   2.5551   1.0185  454.780  151.169  605.082  173.775 -150.3016 230.3259 
1 1 1    1   27   14 o  296.553  119.380   0.4064   0.5000   0.3461   0.6857   0.4749   0.7307  307.690  132.794  325.791  138.765 -18.10037 192.0678 
1 1 1    1   27   15 o  237.280  116.561  -0.9898   0.8806  -0.6428   1.2331  -1.3509   1.2579  291.055  141.899  268.767  133.359 22.28821 194.7306 
1 1 1    1   27   16 o  233.777  110.928  -0.2759   0.6430   0.4947   1.3100  -0.5204   0.7381  330.884  157.391  233.034  112.715 97.85095 193.5883 
1 1 1    1   27   17 o  358.370  140.943   1.0118   0.6812   1.3634   1.3138   0.8825   0.7966  358.550  166.379  336.877  144.222 21.67227 220.1864 
1 1 1    1   29    0 o  663.409   90.552   2.2513   0.5383   2.4550   0.7514   2.0365   0.7717  662.318  127.917  586.968  143.970 75.35022 192.5882 
1 1 1    1   29    1 o  905.328   76.204   4.0555   0.6289   3.6905   0.8286   4.5516   0.9660  832.229  110.962  918.398  116.964 -86.16815 161.2244 
1 1 1    1   29    2 o  482.448  119.529   1.2946   0.5279   1.5998   0.7319   0.9635   0.7622  515.557  147.066  409.187  151.925 106.3699 211.4465 
1 1 1    1   29    3 o  395.507  120.509   0.8690   0.4782   0.6325   0.6192   1.2182   0.7525  354.359  135.745  448.705  152.520 -94.34631 204.1791 
1 1 1    1   29    4 o  416.898  124.837   0.9793   0.5164   1.9185   0.6976  -0.1592   0.7681  578.802  133.680  285.271  130.491 293.5316 186.8108 
1 1 1    1   29    5 o  438.662  123.614   1.0840   0.5203   0.8461   0.6955   1.3864   0.7842  390.553  145.108  474.167  155.588 -83.61353 212.7529 
1 1 1    1   29    6 o  1092.55   68.369   5.8201   0.6839   6.2987   0.9345   5.2682   1.0035  1111.77   92.176  994.509  111.583 117.2623 144.7315 
1 1 1    1   29    7 o  273.822  115.100   0.1991   0.4918   0.0588   0.6311   0.4161   0.7850  281.141  124.207  339.724  144.240 -58.58240 190.3487 
1 1 1    1   29    8 o  653.034  106.813   2.2826   0.6196   2.0134   0.7293   2.9813   1.1750  585.391  137.698  653.796  186.283 -68.40460 231.6507 
1 1 1    1   29    9 o  355.365  129.749   0.6915   0.5521   0.4321   0.6601   1.2951   1.0069  324.679  134.668  442.205  172.095 -117.5256 218.5224 
1 1 1    1   29   10 o  428.202  116.146   1.0472   0.4692   1.0647   0.5884   1.0165   0.7777  419.585  134.552  404.108  152.761 15.47748 203.5686 
1 1 1    1   29   11 o  672.972  117.275   2.5778   0.6998   2.2233   1.2627   2.7350   0.8408  509.175  194.128  664.489  141.824 -155.3141 240.4155 
1 1 1    1   29   12 o  317.435  122.161   0.5529   0.5030   0.3841   0.6448   0.8150   0.8037  304.315  130.006  362.694  149.342 -58.37805 198.0015 
1 1 1    1   29   13 o  831.235   88.126   3.7174   0.6638   2.6180   0.9050   4.9974   0.9765  595.224  161.242  914.132  118.905 -318.9083 200.3430 
1 1 1    1   29   14 o  261.139  118.449   0.1302   0.6161  -0.0472   0.6859   0.8714   1.4020  254.694  118.864  346.183  164.129 -91.48848 202.6497 
1 1 1    1   29   15 o  266.344  117.089   0.3069   0.5543  -0.1054   0.7241   0.8904   0.8615  248.412  117.827  333.218  146.241 -84.80554 187.8021 
1 1 1    1   31    0 o  194.522   93.709  -0.5923   0.4978  -0.4971   0.6839  -0.6997   0.7259  242.154  114.757  237.387  114.054 4.766632 161.7949 
1 1 1    1   31    1 o  512.987  123.552   1.5032   0.5763   1.8342   0.8079   1.1604   0.8222  537.197  154.907  429.531  158.113 107.6664 221.3500 
1 1 1    1   31    2 o  705.808   96.036   2.6080   0.6075   3.0061   0.8142   2.1081   0.9124  728.875  125.961  564.543  165.159 164.3319 207.7108 
1 1 1    1   31    3 o  360.236  136.422   0.7107   0.6210   1.3785   0.7631  -0.5982   1.0683  464.185  153.538  294.829  140.764 169.3554 208.2989 
1 1 1    1   31    4 o  280.310  122.606   0.1342   0.6010  -0.0887   0.6891   0.8421   1.2282  272.802  124.329  398.642  174.793 -125.8406 214.5003 
1 1 1    1   31    5 o  287.827  120.502   0.2838   0.5356   1.1795   0.7146  -0.8646   0.8092  431.210  148.579  241.173  116.978 190.0367 189.1018 
1 1 1    1   31    6 o  497.271  126.291   1.4612   0.5790   1.8758   0.7772   0.9442   0.8679  538.755  150.807  391.941  157.454 146.8136 218.0243 
1 1 1    1   31    7 o  361.080  129.523   0.7675   0.5470   0.3997   0.7031   1.3315   0.8705  317.205  135.637  436.177  162.284 -118.9720 211.5034 
1 1 1    1   31    8 o  285.355  118.443   0.3309   0.5112   0.7381   0.6764  -0.2112   0.7806  353.588  140.010  269.628  126.151 83.96002 188.4595 
1 1 1    1   31    9 o  311.276  134.084   0.4269   0.6964   0.4417   1.2560   0.4203   0.8368  346.243  161.341  321.055  142.372 25.18777 215.1758 
1 1 1    1   31   10 o  356.948  143.627   0.8600   0.7234  -0.3804   1.2220   1.5292   0.8976  296.067  143.638  432.221  163.937 -136.1539 217.9619 
1 1 1    1   31   11 o  503.687  123.737   1.6322   0.5694   1.5334   0.7255   1.7905   0.9186  446.078  149.766  448.627  166.749 -2.549622 224.1315 
1 1 1    1   31   12 o  257.918  112.874   0.2566   0.5100   0.3919   0.6365   0.0140   0.8523  283.207  124.950  269.862  127.951 13.34427 178.8402 
1 1 1    1   31   13 o  338.626  136.696   0.9299   0.6576   1.3036   0.7352  -0.5641   1.4700  380.666  147.359  276.099  138.121 104.5673 201.9708 
1 1 1    1   33    0 o  260.891  116.263   0.0844   0.5649   0.4360   0.7419  -0.4009   0.8715  317.958  137.675  267.963  127.715 49.99530 187.7915 
1 1 1    1   33    1 o  233.777  108.985  -0.2195   0.5742  -0.4932   0.7652   0.1333   0.8686  247.202  118.326  302.241  138.441 -55.03801 182.1179 
1 1 1    1   33    2 o  282.672  121.360   0.2817   0.5669   0.3066   0.7407   0.2465   0.8809  303.598  134.324  310.922  141.264 -7.324097 194.9318 
1 1 1    1   33    3 o  350.288  134.961   0.7624   0.6145   0.3051   0.7740   1.5419   1.0105  304.860  135.955  433.612  171.303 -128.7514 218.6969 
1 1 1    1   33    4 o  279.634  120.815   0.2772   0.5688  -0.1780   0.7062   1.1177   0.9596  255.881  119.808  386.277  161.468 -130.3960 201.0618 
1 1 1    1   33    5 o  421.525  140.293   1.2371   0.6367   1.1750   0.8425   1.3198   0.9724  392.312  155.965  401.431  164.659 -9.118713 226.7982 
1 1 1    1   33    6 o  324.966  131.691   0.6518   0.6129   0.1772   0.7923   1.3588   0.9670  287.148  131.784  398.607  163.931 -111.4589 210.3341 
1 1 1    1   33    7 o  241.094  115.303  -0.3225   0.7231   0.9449   1.3998  -0.7839   0.8446  350.353  165.474  233.570  114.620 116.7829 201.2944 
1 1 1    1   33    8 o  193.868   96.835  -1.2101   0.7101  -0.6101   1.3446  -1.4422   0.8362  280.060  138.773  204.833  102.715 75.22704 172.6509 
1 1 1    1   33    9 o  235.568  109.555  -0.0128   0.5746  -0.2864   0.7134   0.4927   0.9697  234.132  112.636  300.442  140.581 -66.31013 180.1385 
1 1 1    1   33   10 o  474.269  142.588   1.8194   0.6727   2.5519   0.8898   0.8423   1.0277  516.097  165.465  313.778  146.123 202.3186 220.7500 
1 1 1    1   33   11 o  281.602  126.230   0.5296   0.6765   0.9420   0.7442  -1.4322   1.6231  321.173  138.477  254.050  129.172 67.12329 189.3704 
1 1 1    1   35    0 o  292.680  129.095   0.4937   0.6790   0.8459   0.8457  -0.1455   1.1392  327.925  144.383  278.415  135.880 49.50986 198.2668 
1 1 1    1   35    1 o  221.566  108.304  -0.5763   0.7320  -0.4839   0.8584  -0.8224   1.4013  241.007  117.696  270.827  135.389 -29.82054 179.3946 
1 1 1    1   35    2 o  296.423  132.822   0.5342   0.7482   0.5530   0.8737   0.4825   1.4486  301.209  138.293  309.674  151.580 -8.464844 205.1864 
1 1 1    1   35    3 o  209.779  102.248  -0.5106   0.6391  -0.0766   0.8228  -1.1708   1.0147  255.405  122.370  228.914  114.551 26.49136 167.6199 
1 1 1    1   35    4 o  246.024  115.274   0.0500   0.6558  -0.2613   0.8367   0.5458   1.0559  244.457  118.659  298.031  141.628 -53.57410 184.7661 
1 1 1    1   35    5 o  220.261  108.908  -0.6920   0.8121  -1.8140   1.2998   0.0265   1.0400  232.357  117.880  268.546  130.792 -36.18925 176.0745 
1 1 1    1   35    6 o  292.905  135.199   0.6532   0.8507   0.6275   1.4819   0.6659   1.0390  295.349  146.230  294.321  140.048 1.028137 202.4763 
1 1 1    1   35    7 o  306.199  132.900   0.8283   0.6946   1.3337   0.9331   0.2000   1.0404  336.009  149.602  267.118  130.254 68.89081 198.3602 
1 1 1    1   35    8 o  341.743  155.421   1.6856   1.0697   2.7574   1.7050   0.9898   1.3737  338.962  165.605  294.189  144.729 44.77298 219.9351 
1 1 1    1   37    0 o  209.571  106.890  -1.8436   1.1808   0.0000   0.0000  -1.8436   1.1808  ?   ?   209.571  106.890 0.000000 106.8900 
1 1 1    1   37    1 o  237.480  121.691  -1.6492   1.7033   0.0000   0.0000  -1.6492   1.7033  ?   ?   237.480  121.691 0.000000 121.6912 
1 1 1    1   37    2 o  326.394  161.077   3.0957   1.7472   0.0000   0.0000   3.0957   1.7472  ?   ?   326.394  161.077 0.000000 161.0771 
1 1 1    2    0    2 o  3530.20   33.540   57.386   1.0893   57.386   1.0893   57.386   1.0893  3530.20   33.540  3530.20   33.540 0.000000 0.000000 
1 1 1    2    0    3 o  752.169   31.959   2.6185   0.2203   2.6185   0.2203   2.6185   0.2203  752.169   31.959  752.169   31.959 0.000000 0.000000 
1 1 1    2    0    4 o  1692.47   28.337   13.196   0.4410   13.196   0.4410   13.196   0.4410  1692.47   28.337  1692.47   28.337 0.000000 0.000000 
1 1 1    2    0    5 o  154.096   72.562   0.1605   0.1159   0.1605   0.1159   0.1605   0.1159  154.096   72.562  154.096   72.562 0.000000 0.000000 
1 1 1    2    0    6 o  856.230   34.455   3.3926   0.2705   3.3926   0.2705   3.3926   0.2705  856.230   34.455  856.230   34.455 0.000000 0.000000 
1 1 1    2    0    7 o  640.725   40.586   1.9138   0.2371   1.9138   0.2371   1.9138   0.2371  640.725   40.586  640.725   40.586 0.000000 0.000000 
1 1 1    2    0    8 o  800.237   40.352   2.9717   0.2954   2.9717   0.2954   2.9717   0.2954  800.237   40.352  800.237   40.352 0.000000 0.000000 
1 1 1    2    0    9 o  2343.35   35.319   25.301   0.7612   25.301   0.7612   25.301   0.7612  2343.35   35.319  2343.35   35.319 0.000000 0.000000 
1 1 1    2    0   10 o  864.795   62.071   3.5039   0.4881   3.5039   0.4881   3.5039   0.4881  864.795   62.071  864.795   62.071 0.000000 0.000000 
1 1 1    2    0   11 o  760.487   49.335   2.7024   0.3419   2.7024   0.3419   2.7024   0.3419  760.487   49.335  760.487   49.335 0.000000 0.000000 
1 1 1    2    0   12 o  680.722   81.297   2.2488   0.4900   2.2488   0.4900   2.2488   0.4900  680.722   81.297  680.722   81.297 0.000000 0.000000 
1 1 1    2    0   13 o  522.575   71.040   1.3404   0.3238   1.3404   0.3238   1.3404   0.3238  522.575   71.040  522.575   71.040 0.000000 0.000000 
1 1 1    2    0   14 o  133.900   87.180  -0.0121   0.2597  -0.0121   0.2597  -0.0121   0.2597  133.900   87.180  133.900   87.180 0.000000 0.000000 
1 1 1    2    0   15 o  600.605   71.989   1.7649   0.3827   1.7649   0.3827   1.7649   0.3827  600.605   71.989  600.605   71.989 0.000000 0.000000 
1 1 1    2    0   16 o  337.992  125.921   0.7404   0.3645   0.7404   0.3645   0.7404   0.3645  337.992  125.921  337.992  125.921 0.000000 0.000000 
1 1 1    2    0   17 o  247.032  125.311   0.4440   0.3556   0.4440   0.3556   0.4440   0.3556  247.032  125.311  247.032  125.311 0.000000 0.000000 
1 1 1    2    0   18 o  685.335   72.119   2.2807   0.4433   2.2807   0.4433   2.2807   0.4433  685.335   72.119  685.335   72.119 0.000000 0.000000 
1 1 1    2    0   19 o  346.402  132.624   0.7865   0.3991   0.7865   0.3991   0.7865   0.3991  346.402  132.624  346.402  132.624 0.000000 0.000000 
1 1 1    2    0   20 o  191.253  117.952   0.1567   0.4063   0.1567   0.4063   0.1567   0.4063  191.253  117.952  191.253  117.952 0.000000 0.000000 
1 1 1    2    0   21 o  225.332  140.920   0.2002   0.6006   0.2002   0.6006   0.2002   0.6006  225.332  140.920  225.332  140.920 0.000000 0.000000 
1 1 1    2    0   22 f  839.041   80.913   3.4130   0.6114   3.4130   0.6114   3.4130   0.6114  839.041   80.913  839.041   80.913 0.000000 0.000000 
1 1 1    2    0   23 o  434.291  184.310   1.3851   0.7471   1.3851   0.7471   1.3851   0.7471  434.291  184.310  434.291  184.310 0.000000 0.000000 
1 1 1    2    0   24 o  203.475  129.796   0.1405   0.5388   0.1405   0.5388   0.1405   0.5388  203.475  129.796  203.475  129.796 0.000000 0.000000 
1 1 1    2    0   25 o  445.053  163.969   1.3955   0.6216   1.3955   0.6216   1.3955   0.6216  445.053  163.969  445.053  163.969 0.000000 0.000000 
1 1 1    2    2    1 o  2160.58   33.583   21.502   0.6677   20.951   0.9335   22.079   0.9553  2131.48   47.594  2188.12   47.447 -56.64160 67.20426 
1 1 1    2    2    2 o  1554.40   19.639   11.121   0.2809   11.289   0.3999   10.957   0.3946  1565.80   27.756  1542.58   27.803 23.22278 39.28652 
1 1 1    2    2    3 o  2385.50   20.861   26.194   0.4579   25.936   0.6437   26.459   0.6516  2373.11   29.477  2396.94   29.542 -23.82861 41.73282 
1 1 1    2    2    4 o  3541.81   22.108   57.751   0.7205   57.450   1.0134   58.058   1.0247  3531.48   31.185  3550.09   31.367 -18.61084 44.23141 
1 1 1    2    2    5 o  1257.48   24.637   7.2819   0.2851   7.0528   0.3999   7.5185   0.4064  1236.95   35.138  1277.17   34.584 -40.22119 49.30253 
1 1 1    2    2    6 o  2858.07   23.350   37.617   0.6141   36.541   0.9108   38.513   0.8315  2815.28   35.161  2890.88   31.258 -75.60303 47.04593 
1 1 1    2    2    7 o  2261.20   23.208   23.544   0.4829   23.109   0.6842   23.975   0.6816  2239.24   33.207  2280.93   32.474 -41.69287 46.44640 
1 1 1    2    2    8 o  1748.32   24.714   14.074   0.3976   14.164   0.5689   13.988   0.5559  1753.19   35.265  1742.32   34.673 10.86694 49.45525 
1 1 1    2    2    9 o  2179.47   28.914   21.878   0.5799   21.661   0.8175   22.097   0.8226  2167.50   40.986  2189.19   40.838 -21.69336 57.85846 
1 1 1    2    2   10 o  1081.70   33.994   5.3939   0.3384   5.3368   0.4747   5.4529   0.4825  1074.92   47.989  1086.53   48.256 -11.60657 68.05579 
1 1 1    2    2   11 o  726.198   34.973   2.4346   0.2337   2.9062   0.3477   2.0458   0.3157  790.816   48.003  662.296   52.219 128.5203 70.93034 
1 1 1    2    2   12 o  558.576   60.710   1.4751   0.3070   1.7450   0.4474   1.2348   0.4221  601.643   83.022  500.739   95.084 100.9039 126.2285 
1 1 1    2    2   13 o  1225.47   32.790   6.9538   0.3698   6.7113   0.5120   7.2182   0.5345  1200.08   46.367  1244.47   46.678 -44.38696 65.79340 
1 1 1    2    2   14 o  481.659   52.183   1.1017   0.2276   1.2889   0.3229   0.9170   0.3208  515.483   69.877  428.311   84.398 87.17252 109.5713 
1 1 1    2    2   15 o  710.191   43.730   2.3697   0.2844   2.1602   0.4107   2.5627   0.3942  668.311   67.715  732.578   58.977 -64.26685 89.79783 
1 1 1    2    2   16 o  241.089   85.356   0.2605   0.2368   0.2771   0.3448   0.2456   0.3258  264.298  101.282  254.208   98.178 10.08992 141.0566 
1 1 1    2    2   17 o  129.977   63.181  -0.3934   0.2395  -0.7678   0.3454  -0.0465   0.3324  141.267   70.058  204.749   90.317 -63.48190 114.3033 
1 1 1    2    2   18 o  322.596   86.695   0.5307   0.2629   0.3858   0.3714   0.6760   0.3721  291.797  106.442  359.677  105.533 -67.88007 149.8904 
1 1 1    2    2   19 o  575.482   58.623   1.5835   0.3061   1.7868   0.4394   1.3918   0.4267  601.706   81.451  525.245   91.612 76.46094 122.5851 
1 1 1    2    2   20 o  428.658   94.960   0.9342   0.3647   0.5648   0.5502   1.2237   0.4871  350.352  129.279  484.815  111.505 -134.4634 170.7230 
1 1 1    2    2   21 o  200.169   89.830  -0.1178   0.3436   0.1067   0.4647  -0.3886   0.5104  263.560  111.390  219.723  102.540 43.83720 151.4011 
1 1 1    2    2   22 o  686.664   62.757   2.2606   0.3921   1.5955   0.5411   2.9962   0.5691  552.844  110.236  781.870   80.238 -229.0261 136.3460 
1 1 1    2    2   23 o  525.338  120.374   1.5104   0.5694   1.3991   0.8544   1.5994   0.7637  478.947  162.519  518.325  150.950 -39.37848 221.8069 
1 1 1    2    2   24 o  293.646  107.452   0.4237   0.3789   0.4482   0.5410   0.4000   0.5309  314.220  124.962  305.813  123.046 8.406342 175.3731 
1 1 1    2    2   25 o  284.334  109.628   0.3968   0.4057  -0.0349   0.5471   0.9242   0.6046  246.866  111.829  382.572  136.289 -135.7065 176.2965 
1 1 1    2    4    0 o  582.922   29.957   1.5690   0.1601   1.6364   0.1921   1.4154   0.2899  594.950   35.248  550.630   58.101 44.31964 67.95724 
1 1 1    2    4    1 o  817.693   29.217   3.0791   0.2198   3.1032   0.2631   3.0234   0.3999  820.727   34.844  807.546   54.137 13.18054 64.38094 
1 1 1    2    4    2 o  1356.21   25.316   8.4685   0.3159   8.4164   0.4449   8.5216   0.4487  1351.54   35.773  1359.95   35.857 -8.414917 50.65001 
1 1 1    2    4    3 o  177.947   42.163   0.1519   0.0680   0.2946   0.1014   0.0353   0.0916  248.807   45.973  127.836   51.231 120.9714 68.83431 
1 1 1    2    4    4 o  3165.14   22.448   46.125   0.6538   46.434   0.9309   45.825   0.9184  3174.53   31.869  3153.69   31.647 20.83325 44.91332 
1 1 1    2    4    5 o  1994.02   24.150   18.311   0.4431   18.519   0.6327   18.110   0.6207  2004.35   34.307  1982.13   34.034 22.21765 48.32501 
1 1 1    2    4    6 o  1765.95   25.634   14.364   0.4165   14.226   0.5889   14.502   0.5893  1756.47   36.433  1773.47   36.113 -16.99536 51.29853 
1 1 1    2    4    7 o  1298.62   27.907   7.7675   0.3335   7.5286   0.4675   8.0149   0.4758  1277.76   39.763  1318.42   39.219 -40.66052 55.84968 
1 1 1    2    4    8 o  2618.61   25.857   31.575   0.6230   30.999   0.9278   32.048   0.8408  2593.25   38.882  2637.28   34.649 -44.02954 52.08020 
1 1 1    2    4    9 o  329.209   64.866   0.5188   0.1895   0.7476   0.3054   0.3756   0.2417  393.547   86.680  283.285   85.526 110.2617 121.7714 
1 1 1    2    4   10 o  1311.55   35.600   7.9338   0.4296   8.3560   0.6749   7.6461   0.5571  1343.76   54.583  1286.37   47.065 57.39307 72.07264 
1 1 1    2    4   11 o  1380.11   34.243   8.7960   0.4349   7.9995   0.5910   9.7364   0.6422  1313.59   48.893  1449.37   48.151 -135.7754 68.62252 
1 1 1    2    4   12 o  407.834   55.894   0.7904   0.2042   0.8745   0.3017   0.7193   0.2775  423.022   80.455  382.607   81.319 40.41467 114.3929 
1 1 1    2    4   13 o  1444.43   32.387   9.6634   0.4305   9.9681   0.6238   9.3864   0.5948  1461.92   46.370  1418.96   45.553 42.95898 65.00153 
1 1 1    2    4   14 o  1223.09   34.137   6.9479   0.3842   7.2578   0.5502   6.6531   0.5367  1244.34   48.057  1190.96   48.971 53.38623 68.61208 
1 1 1    2    4   15 o  654.607   46.345   2.0209   0.2774   2.5934   0.4095   1.5358   0.3770  735.678   61.047  558.830   75.221 176.8478 96.87617 
1 1 1    2    4   16 o  765.199   44.590   2.7559   0.3126   3.2669   0.4642   2.3319   0.4229  825.203   61.576  693.784   67.074 131.4188 91.05238 
1 1 1    2    4   17 o  218.304   83.894   0.1735   0.2370   0.4625   0.3538  -0.0617   0.3192  306.503  104.579  198.445   87.968 108.0582 136.6569 
1 1 1    2    4   18 o  264.083   88.092   0.3340   0.2510   0.5503   0.3640   0.1380   0.3466  328.727  105.877  238.555   98.128 90.17128 144.3576 
1 1 1    2    4   19 o  615.607   57.731   1.8075   0.3232   1.9642   0.4560   1.6493   0.4582  632.062   80.213  573.908   89.691 58.15387 120.3271 
1 1 1    2    4   20 o  575.280   74.306   1.6095   0.3841   1.7895   0.5865   1.4743   0.5084  588.351  112.438  535.543  106.903 52.80737 155.1468 
1 1 1    2    4   21 o  884.358   58.073   3.7084   0.4699   3.5142   0.6569   3.9121   0.6726  846.338   85.526  895.167   82.584 -48.83008 118.8899 
1 1 1    2    4   22 o  585.042   82.950   1.6985   0.4340   2.1313   0.6172   1.2749   0.6105  641.311  108.451  480.334  133.388 160.9766 171.9127 
1 1 1    2    4   23 o  485.995  101.206   1.2438   0.4379   1.7854   0.6705   0.8410   0.5782  562.138  131.901  390.340  133.689 171.7990 187.8047 
1 1 1    2    4   24 o  214.491   95.264  -0.0335   0.3761   0.3940   0.5484  -0.4130   0.5167  305.634  124.312  211.414  100.060 94.21954 159.5795 
1 1 1    2    4   25 o  306.575  112.451   0.5128   0.4154   0.5200   0.5877   0.5057   0.5872  317.376  128.836  315.363  128.491 2.013184 181.9578 
1 1 1    2    6    0 o  328.966   33.416   0.5037   0.0997   0.6704   0.1499   0.3714   0.1336  378.753   43.831  278.914   54.006 99.83859 69.55473 
1 1 1    2    6    1 o  1463.14   25.904   9.8577   0.3487   9.5140   0.4867   10.220   0.4999  1436.78   36.816  1489.17   36.484 -52.39050 51.83151 
1 1 1    2    6    2 o  1023.80   27.263   4.8273   0.2568   4.9137   0.3650   4.7426   0.3615  1032.40   38.423  1014.25   38.730 18.15259 54.55624 
1 1 1    2    6    3 o  1416.44   27.915   9.2416   0.3638   9.1663   0.5122   9.3182   0.5168  1409.82   39.486  1421.45   39.515 -11.62524 55.86229 
1 1 1    2    6    4 o  1038.15   30.342   4.9662   0.2898   4.9891   0.4111   4.9436   0.4087  1039.74   42.971  1034.99   42.915 4.751831 60.73075 
1 1 1    2    6    5 o  1152.14   28.268   6.1155   0.2997   6.5274   0.3963   5.5655   0.4580  1189.79   36.201  1097.94   45.331 91.84558 58.01203 
1 1 1    2    6    6 o  649.652   31.008   1.9446   0.1854   1.8215   0.2643   2.0637   0.2600  626.512   46.179  667.469   42.554 -40.95642 62.79662 
1 1 1    2    6    7 o  2259.45   26.885   23.510   0.5589   22.683   0.7809   24.378   0.8004  2218.32   38.257  2299.73   37.823 -81.41821 53.79776 
1 1 1    2    6    8 o  755.519   37.337   2.6309   0.2596   2.9252   0.4344   2.4674   0.3237  793.309   59.946  729.629   48.494 63.68060 77.10499 
1 1 1    2    6    9 o  1380.55   31.115   8.7822   0.3953   9.0609   0.5714   8.5265   0.5473  1401.18   44.320  1359.28   43.760 41.89392 62.28337 
1 1 1    2    6   10 o  1057.58   40.979   5.1673   0.3988   4.9385   0.5506   5.4197   0.5783  1030.11   58.329  1079.25   58.455 -49.14087 82.57830 
1 1 1    2    6   11 o  1046.38   37.434   5.0654   0.3604   5.1858   0.4919   4.9258   0.5296  1056.35   50.609  1026.84   56.266 29.51233 75.67749 
1 1 1    2    6   12 o  1210.47   33.939   6.7836   0.3780   7.0848   0.5834   6.5655   0.4963  1232.07   51.458  1187.94   45.405 44.14038 68.62653 
1 1 1    2    6   13 o  264.535   88.010   0.3277   0.2506   0.1328   0.3694   0.4938   0.3410  246.098  101.283  317.476  102.507 -71.37784 144.1034 
1 1 1    2    6   14 o  763.395   43.172   2.7331   0.3020   2.5768   0.4625   2.8494   0.3988  730.154   69.677  774.422   56.353 -44.26740 89.61352 
1 1 1    2    6   15 o  179.925   77.165   0.0104   0.2288   0.2504   0.3486  -0.1710   0.3032  259.676  101.207  178.405   81.745 81.27129 130.0969 
1 1 1    2    6   16 o  806.124   46.802   3.0652   0.3457   3.7898   0.5633   2.6276   0.4378  883.821   69.836  737.615   65.171 146.2060 95.52122 
1 1 1    2    6   17 o  325.151   86.509   0.5407   0.2634   0.3488   0.3911   0.7000   0.3562  286.283  108.307  365.470  102.024 -79.18805 148.7933 
1 1 1    2    6   18 o  479.014   70.377   1.1245   0.3010   1.6576   0.4595   0.7241   0.3983  573.474   90.049  371.159  109.265 202.3152 141.5895 
1 1 1    2    6   19 o  207.982   88.016   0.0455   0.2908   0.0363   0.4356   0.0529   0.3905  245.998  106.004  237.115  101.229 8.882904 146.5749 
1 1 1    2    6   20 o  450.721   96.668   1.0342   0.3889   1.3790   0.6090   0.7967   0.5054  506.135  130.054  391.491  124.613 114.6443 180.1179 
1 1 1    2    6   21 o  364.476  105.947   0.6855   0.3765   0.3993   0.5326   0.9715   0.5325  319.333  124.915  426.206  126.567 -106.8729 177.8280 
1 1 1    2    6   22 o  815.861   67.818   3.2148   0.5045   3.2812   0.6858   3.1365   0.7448  807.234   94.094  779.902  106.578 27.33118 142.1709 
1 1 1    2    6   23 o  682.560   81.823   2.3380   0.5037   2.1634   0.7383   2.4900   0.6889  615.584  134.128  679.688  114.191 -64.10321 176.1534 
1 1 1    2    6   24 o  295.513  109.867   0.4371   0.3989   1.5043   0.6215  -0.3102   0.5201  498.210  133.060  219.371  102.744 278.8392 168.1112 
1 1 1    2    6   25 o  611.679   90.494   2.0120   0.4940   1.4875   0.7753   2.3704   0.6409  453.282  154.807  640.614  112.846 -187.3314 191.5708 
1 1 1    2    8    0 o  1757.07   27.651   14.221   0.4471   14.296   0.6338   14.148   0.6307  1760.59   39.125  1751.43   39.132 9.154785 55.33650 
1 1 1    2    8    1 o  1605.36   27.949   11.872   0.4129   11.468   0.5758   12.301   0.5924  1576.73   39.684  1633.05   39.420 -56.31641 55.93558 
1 1 1    2    8    2 o  1585.98   28.319   11.588   0.4133   11.895   0.5891   11.291   0.5800  1605.78   39.868  1564.41   40.288 41.37012 56.67982 
1 1 1    2    8    3 o  1002.42   30.396   4.6305   0.2804   4.6982   0.3974   4.5634   0.3957  1008.93   42.801  994.323   43.244 14.60718 60.84436 
1 1 1    2    8    4 o  1277.25   35.677   7.5215   0.4193   6.7215   0.6946   7.9803   0.5260  1203.12   62.957  1314.96   43.469 -111.8412 76.50621 
1 1 1    2    8    5 o  901.845   33.954   3.7484   0.2818   4.1793   0.4164   3.3844   0.3827  951.478   47.555  854.766   48.862 96.71173 68.18343 
1 1 1    2    8    6 o  1258.17   34.229   7.2942   0.3963   7.0185   0.5577   7.5753   0.5631  1233.15   49.153  1281.25   47.764 -48.09888 68.53799 
1 1 1    2    8    7 o  3348.87   29.799   51.657   0.9183   51.131   1.1847   52.449   1.4534  3330.46   38.657  3371.60   46.848 -41.14136 60.73736 
1 1 1    2    8    8 o  2121.00   35.450   20.737   0.6919   22.085   1.0214   19.594   0.9405  2186.67   50.765  2059.86   49.618 126.8130 70.98599 
1 1 1    2    8    9 o  348.884   57.531   0.5787   0.1783   0.7833   0.2683   0.4170   0.2385  403.875   74.961  295.042   83.877 108.8327 112.4920 
1 1 1    2    8   10 o  1368.78   46.801   8.6845   0.5895   8.7062   0.7145   8.6383   1.0432  1368.10   56.754  1351.48   84.307 16.61560 101.6299 
1 1 1    2    8   11 o  114.087   55.295  -0.2962   0.1799  -0.1442   0.2694  -0.4186   0.2417  172.557   78.290  129.980   63.248 42.57706 100.6465 
1 1 1    2    8   12 o  953.959   39.674   4.2294   0.3483   4.0681   0.4851   4.4009   0.5003  929.004   57.025  966.593   56.491 -37.58844 80.26830 
1 1 1    2    8   13 o  330.647   78.704   0.5479   0.2360   0.4788   0.3563   0.6019   0.3150  313.396  104.963  343.534   95.955 -30.13843 142.2125 
1 1 1    2    8   14 o  652.157   48.598   2.0109   0.2895   2.0947   0.4497   1.9516   0.3784  653.284   76.248  635.458   65.659 17.82611 100.6222 
1 1 1    2    8   15 o  494.095   60.738   1.1806   0.2703   1.4192   0.4361   1.0317   0.3445  526.550   93.423  450.685   86.217 75.86566 127.1272 
1 1 1    2    8   16 o  785.248   49.274   2.9174   0.3542   3.3401   0.5470   2.6122   0.4649  827.516   72.567  732.757   69.790 94.75964 100.6809 
1 1 1    2    8   17 o  633.334   56.613   1.9176   0.3264   2.0940   0.5015   1.7878   0.4300  646.721   86.430  600.484   79.807 46.23792 117.6406 
1 1 1    2    8   18 o  382.655   82.669   0.7397   0.2826   0.6088   0.4041   0.8650   0.3953  344.528  111.615  406.033  105.018 -61.50491 153.2536 
1 1 1    2    8   19 o  420.308  100.866   0.9107   0.3851   1.3142   0.6829   0.7225   0.4664  487.239  142.981  374.093  119.774 113.1454 186.5191 
1 1 1    2    8   20 o  299.373  100.374   0.4308   0.3259   0.4162   0.4980   0.4418   0.4309  317.961  121.753  313.749  114.619 4.212128 167.2170 
1 1 1    2    8   21 o  698.588   82.129   2.4022   0.5179   0.8703   0.8615   3.2689   0.6480  416.299  159.961  812.337   88.103 -396.0377 182.6188 
1 1 1    2    8   22 o  488.198  118.641   1.2963   0.5277   1.1039   1.0420   1.3627   0.6120  442.418  174.217  492.393  132.270 -49.97507 218.7393 
1 1 1    2    8   23 o  764.568   78.311   2.9259   0.5432   3.9681   0.9152   2.3593   0.6749  848.227  120.659  655.775  116.091 192.4523 167.4381 
1 1 1    2    8   24 o  342.951  115.359   0.6727   0.4304   0.7824   0.6504   0.5871   0.5742  362.162  139.028  330.329  129.565 31.83289 190.0419 
1 1 1    2   10    0 o  1063.92   31.491   5.2165   0.3083   4.7301   0.4253   5.7551   0.4475  1012.17   45.664  1116.65   43.556 -104.4738 63.10553 
1 1 1    2   10    1 o  2161.90   29.653   21.535   0.5899   22.213   0.8511   20.908   0.8183  2194.01   42.157  2128.69   41.779 65.32080 59.35251 
1 1 1    2   10    2 o  1827.72   29.967   15.392   0.5040   15.359   0.7105   15.425   0.7151  1824.46   42.320  1828.34   42.503 -3.881836 59.97900 
1 1 1    2   10    3 o  2335.45   29.982   25.128   0.6443   25.363   0.9121   24.894   0.9103  2344.78   42.275  2322.95   42.585 21.84009 60.00587 
1 1 1    2   10    4 o  473.245   42.213   1.0411   0.1819   1.0522   0.2564   1.0298   0.2581  473.289   60.235  467.959   61.423 5.330322 86.02910 
1 1 1    2   10    5 o  1420.75   33.234   9.3003   0.4345   8.7948   0.6025   9.8478   0.6271  1380.58   47.431  1460.95   46.646 -80.37598 66.52460 
1 1 1    2   10    6 o  574.361   43.735   1.5304   0.2294   1.2476   0.3225   1.8200   0.3264  514.425   69.952  624.967   57.391 -110.5420 90.48236 
1 1 1    2   10    7 o  2551.47   39.640   30.026   0.9307   30.008   1.6338   30.035   1.1323  2544.07   69.790  2550.31   48.252 -6.239746 84.84644 
1 1 1    2   10    8 o  2061.18   36.620   19.605   0.6946   20.390   1.0114   18.905   0.9555  2098.73   52.372  2021.08   51.377 77.64441 73.36523 
1 1 1    2   10    9 o  1216.82   36.403   6.8424   0.4076   6.8193   0.5294   6.8761   0.6388  1212.89   47.431  1215.90   57.095 -3.006348 74.22587 
1 1 1    2   10   10 o  846.004   55.741   3.3553   0.4315   3.5550   0.5213   2.9207   0.7690  867.821   65.769  767.568  112.189 100.2532 130.0461 
1 1 1    2   10   11 o  301.936   80.875   0.4514   0.2292   0.3278   0.2970   0.6333   0.3604  272.300   95.678  355.055  103.769 -82.75467 141.1467 
1 1 1    2   10   12 o  787.446   53.957   2.9301   0.3886   3.2637   0.5788   2.6563   0.5244  820.100   77.625  738.882   78.317 81.21796 110.2687 
1 1 1    2   10   13 o  244.935   84.317   0.2761   0.2301   0.0218   0.3251   0.5314   0.3258  213.439   91.775  323.011   99.655 -109.5719 135.4758 
1 1 1    2   10   14 o  461.462   65.966   1.0408   0.2721   1.5710   0.4001   0.5843   0.3713  561.981   79.590  335.808  106.797 226.1729 133.1922 
1 1 1    2   10   15 o  638.817   56.551   1.9536   0.3290   1.9722   0.4847   1.9378   0.4480  626.318   86.404  624.580   79.767 1.738159 117.5940 
1 1 1    2   10   16 o  283.042   92.305   0.3965   0.2762   0.4948   0.4431   0.3340   0.3531  320.640  116.371  277.024  103.298 43.61621 155.6045 
1 1 1    2   10   17 o  1278.21   49.702   7.6991   0.5846   8.2662   1.3029   7.5561   0.6541  1259.78  113.615  1262.05   56.326 -2.267578 126.8112 
1 1 1    2   10   18 f  516.968   82.542   1.3296   0.3794   1.0710   0.7562   1.4166   0.4387  440.278  152.778  528.608   93.608 -88.32953 179.1749 
1 1 1    2   10   19 o  564.680   86.060   1.5826   0.4330   2.1525   0.7558   1.3040   0.5283  631.195  134.256  496.953  117.408 134.2425 178.3513 
1 1 1    2   10   20 o  522.263   79.611   1.3455   0.3705   1.6734   0.5670   1.1011   0.4894  566.475  112.742  455.992  116.281 110.4831 161.9628 
1 1 1    2   10   21 o  430.250  116.897   0.9942   0.4748   1.5163   0.6147   0.2217   0.7477  525.936  128.186  324.651  139.377 201.2848 189.3607 
1 1 1    2   10   22 o  696.874   66.457   2.3651   0.4210   2.7409   0.6478   2.0904   0.5539  727.362   99.392  635.091   97.928 92.27063 139.5302 
1 1 1    2   10   23 o  251.566  104.041   0.1944   0.3924  -0.4086   0.5343   0.9003   0.5781  215.602  101.955  389.848  133.676 -174.2456 168.1187 
1 1 1    2   10   24 o  384.384  114.561   0.8781   0.4356   0.8328   0.6459   0.9158   0.5901  363.724  138.799  379.014  134.682 -15.29010 193.4023 
1 1 1    2   12    0 o  2231.73   31.755   22.946   0.6521   23.557   0.9387   22.377   0.9065  2259.67   45.147  2202.39   44.733 57.27856 63.55513 
1 1 1    2   12    1 o  1654.52   32.465   12.612   0.4943   13.101   0.7106   12.154   0.6879  1685.13   45.824  1623.00   46.065 62.12891 64.97566 
1 1 1    2   12    2 o  1894.81   32.110   16.541   0.5599   16.648   0.7923   16.434   0.7912  1899.64   45.324  1887.38   45.560 12.25793 64.26493 
1 1 1    2   12    3 o  1791.41   32.578   14.786   0.5370   14.497   0.7490   15.091   0.7703  1772.59   45.921  1808.53   46.291 -35.94177 65.20391 
1 1 1    2   12    4 o  886.217   37.191   3.6203   0.3033   3.8495   0.4365   3.4064   0.4217  911.521   52.265  857.090   53.736 54.43115 74.96172 
1 1 1    2   12    5 o  611.149   51.521   1.7375   0.2870   2.0563   0.5230   1.6001   0.3434  658.919   88.494  584.315   64.961 74.60461 109.7775 
1 1 1    2   12    6 o  861.162   46.035   3.4356   0.3635   3.3138   0.6357   3.4948   0.4430  839.071   83.448  867.177   55.816 -28.10590 100.3943 
1 1 1    2   12    7 o  134.117   60.855  -0.0952   0.1628  -0.0595   0.2376  -0.1268   0.2235  174.417   76.667  157.454   71.391 16.96303 104.7595 
1 1 1    2   12    8 o  522.216   57.347   1.2847   0.2710   1.0666   0.3789   1.5131   0.3878  466.814   91.486  562.457   76.951 -95.64343 119.5453 
1 1 1    2   12    9 o  361.413  103.808   0.6499   0.3634   0.3302   0.4550   1.2138   0.6042  302.236  116.217  484.521  131.954 -182.2845 175.8360 
1 1 1    2   12   10 o  639.208   56.807   1.9322   0.3306   1.7206   0.4664   2.1460   0.4688  591.635   88.375  666.316   77.939 -74.68121 117.8336 
1 1 1    2   12   11 o  797.002   46.194   2.9807   0.3373   3.0349   0.4417   2.9048   0.5225  798.720   60.549  775.013   74.175 23.70789 95.75034 
1 1 1    2   12   12 o  719.734   74.899   2.5295   0.4888   2.8016   0.7250   2.3028   0.6617  734.340  110.742  663.573  112.388 70.76721 157.7811 
1 1 1    2   12   13 o  197.467   86.712  -0.0320   0.3032  -0.0867   0.4633   0.0090   0.4011  234.583  104.860  231.048  100.632 3.535385 145.3354 
1 1 1    2   12   14 o  334.530   92.521   0.5805   0.2944   0.0575   0.3641   1.5682   0.5003  228.281   97.608  547.163  103.155 -318.8821 142.0153 
1 1 1    2   12   15 o  630.615   62.632   1.9218   0.3586   2.6715   0.5005   1.1310   0.5141  737.348   74.810  453.444  120.971 283.9044 142.2343 
1 1 1    2   12   16 o  637.231   58.224   1.9475   0.3376   2.7381   0.5209   1.3747   0.4434  745.820   77.010  515.921   96.956 229.8981 123.8181 
1 1 1    2   12   17 o  318.357   96.357   0.5168   0.3064   0.7226   0.4551   0.3461   0.4145  370.407  118.292  289.998  111.066 80.40906 162.2611 
1 1 1    2   12   18 o  518.819   85.118   1.3414   0.3923   1.4657   0.6947   1.2833   0.4753  512.706  142.251  496.864  107.107 15.84207 178.0651 
1 1 1    2   12   19 o  242.776   96.107   0.1882   0.3187  -0.1491   0.4800   0.4539   0.4261  234.576  105.644  314.833  114.131 -80.25694 155.5202 
1 1 1    2   12   20 o  688.637   64.834   2.2816   0.4060   2.0408   0.6127   2.4701   0.5421  626.170  110.370  706.020   85.161 -79.84967 139.4057 
1 1 1    2   12   21 o  699.161   90.979   2.4742   0.5714   2.7290   0.7596   2.1420   0.8673  712.209  120.190  598.815  155.885 113.3945 196.8394 
1 1 1    2   12   22 o  218.742   97.183  -0.0414   0.3917  -0.1659   0.5778   0.0644   0.5327  247.671  113.252  262.730  115.160 -15.05814 161.5175 
1 1 1    2   12   23 o  398.740  121.839   0.9501   0.4883   0.9430   0.7720   0.9549   0.6304  384.634  150.407  389.614  139.127 -4.980255 204.8869 
1 1 1    2   12   24 o  259.831  113.576   0.1752   0.5150  -0.2824   0.7254   0.6404   0.7313  250.623  118.601  332.669  140.120 -82.04663 183.5744 
1 1 1    2   14    0 o  1768.86   34.698   14.422   0.5648   13.984   0.7914   14.876   0.8061  1740.18   49.426  1794.90   48.809 -54.71582 69.46412 
1 1 1    2   14    1 o  1677.29   34.675   12.968   0.5352   12.744   0.7573   13.190   0.7563  1661.19   49.546  1690.10   48.633 -28.90942 69.42578 
1 1 1    2   14    2 o  2746.87   33.224   34.777   0.8398   35.518   1.2093   34.088   1.1671  2773.38   47.387  2717.12   46.678 56.26025 66.51633 
1 1 1    2   14    3 o  589.987   47.083   1.6181   0.2535   1.8624   0.3626   1.3845   0.3545  630.826   63.315  541.188   73.058 89.63763 96.67664 
1 1 1    2   14    4 o  1557.87   40.837   11.207   0.5854   11.908   1.0165   10.859   0.7161  1600.43   69.025  1531.99   50.795 68.44617 85.70042 
1 1 1    2   14    5 o  998.162   39.462   4.6034   0.3625   4.6875   0.5079   4.5162   0.5174  1003.72   55.205  984.718   57.349 19.00134 79.60207 
1 1 1    2   14    6 o  227.157   78.551   0.2208   0.1998   0.3416   0.2963   0.1200   0.2706  278.808   95.693  220.405   88.145 58.40248 130.1028 
1 1 1    2   14    7 o  1649.41   43.877   12.628   0.6659   14.321   1.1758   11.828   0.8080  1742.91   73.314  1592.27   55.151 150.6422 91.74155 
1 1 1    2   14    8 o  626.221   73.363   1.8822   0.4147   1.4820   0.5068   2.6936   0.7216  542.857  105.258  733.756  110.280 -190.8989 152.4497 
1 1 1    2   14    9 o  216.073   85.684   0.1354   0.2537   0.0589   0.4082   0.1836   0.3238  244.347  103.890  244.551   96.859 -0.2041473 142.0381 
1 1 1    2   14   10 o  339.777   89.432   0.5867   0.2834   0.7977   0.4102   0.3940   0.3921  390.736  109.627  298.178  109.270 92.55811 154.7836 
1 1 1    2   14   11 o  252.760   91.480   0.2803   0.2736   1.0136   0.4354  -0.1979   0.3516  437.211  108.699  191.297   87.794 245.9133 139.7254 
1 1 1    2   14   12 o  203.971   88.751  -0.0045   0.3113  -0.1607   0.3950   0.2515   0.5058  207.702   94.454  287.092  118.374 -79.39034 151.4397 
1 1 1    2   14   13 o  539.244   67.275   1.4224   0.3266   1.4924   0.4237   1.3200   0.5126  541.735   88.010  492.904  115.101 48.83163 144.8931 
1 1 1    2   14   14 o  226.528   90.559   0.1607   0.2856   0.4266   0.3556  -0.3217   0.4791  296.683  104.648  213.763   99.620 82.92047 144.4837 
1 1 1    2   14   15 o  558.664   71.188   1.5335   0.3576   1.2752   0.4582   1.9363   0.5722  491.349  104.550  607.222  106.272 -115.8736 149.0788 
1 1 1    2   14   16 o  276.992  101.735   0.3410   0.3401   0.6141   0.4493  -0.0254   0.5205  345.851  117.856  255.332  112.803 90.51840 163.1397 
1 1 1    2   14   17 o  221.309   92.951   0.0754   0.3204  -0.3516   0.4320   0.5971   0.4775  200.193   93.722  346.560  121.340 -146.3666 153.3209 
1 1 1    2   14   18 o  436.645  103.509   0.9897   0.4095   1.1029   0.6545   0.9169   0.5250  447.892  141.733  414.160  126.296 33.73203 189.8396 
1 1 1    2   14   19 o  234.453   98.960   0.0807   0.3660   0.3643   0.4995  -0.2482   0.5379  307.166  120.727  237.864  108.951 69.30283 162.6199 
1 1 1    2   14   20 o  840.470   65.842   3.4104   0.5051   3.0548   0.6877   3.8271   0.7444  773.045   98.944  869.821   94.532 -96.77600 136.8441 
1 1 1    2   14   21 o  254.859  107.336   0.1489   0.4291   0.4704   0.6519  -0.0967   0.5699  332.677  135.450  254.106  114.713 78.57065 177.4986 
1 1 1    2   14   22 o  454.665  105.656   1.1482   0.4336   1.3345   0.6578   1.0050   0.5767  459.750  141.566  406.236  133.428 53.51431 194.5355 
1 1 1    2   14   23 o  308.332  119.899   0.5192   0.4885   1.6940   0.8176  -0.1330   0.6091  476.812  158.984  245.546  113.711 231.2661 195.4640 
1 1 1    2   16    0 o  1282.95   39.061   7.6059   0.4611   7.8361   0.6700   7.3988   0.6357  1299.22   56.040  1262.71   54.709 36.50781 78.31664 
1 1 1    2   16    1 o  524.567   61.701   1.2974   0.2921   1.1476   0.4876   1.3813   0.3649  481.309  112.173  538.334   75.751 -57.02542 135.3550 
1 1 1    2   16    2 o  626.661   57.828   1.8416   0.3297   1.3730   0.5756   2.0705   0.4022  523.869  121.727  662.758   66.866 -138.8886 138.8835 
1 1 1    2   16    3 o  834.212   52.256   3.2463   0.3991   2.8317   0.6951   3.4501   0.4874  764.295  101.343  857.713   62.184 -93.41779 118.9001 
1 1 1    2   16    4 o  1373.77   44.565   8.7572   0.5633   8.2692   0.9420   9.0289   0.7029  1321.39   77.817  1391.86   54.881 -70.47607 95.22341 
1 1 1    2   16    5 o  223.340   81.878   0.1952   0.2202   0.0283   0.2929   0.4121   0.3339  208.263   88.247  299.724  101.595 -91.46095 134.5696 
1 1 1    2   16    6 o  230.712   87.530   0.1918   0.2559   0.0560   0.2987   0.5670   0.4964  214.356   89.877  350.013  123.618 -135.6577 152.8368 
1 1 1    2   16    7 o  214.313   88.249   0.0893   0.2807   0.3514   0.3396  -0.4756   0.4985  283.635  102.026  210.193   99.115 73.44284 142.2431 
1 1 1    2   16    8 o  1400.89   48.423   9.1988   0.6242   10.584   1.0959   8.5339   0.7594  1476.51   80.970  1341.74   61.510 134.7719 101.6842 
1 1 1    2   16    9 o  478.472   69.071   1.1191   0.2953   1.1895   0.4246   1.0532   0.4110  479.782   99.436  449.773  101.691 30.00919 142.2269 
1 1 1    2   16   10 o  394.245   83.387   0.7908   0.2931   0.9753   0.4335   0.6355   0.3977  426.680  109.782  348.156  110.511 78.52405 155.7718 
1 1 1    2   16   11 o  384.281  101.640   0.7843   0.3649   0.6922   0.4441   0.9757   0.6402  359.711  117.048  414.398  140.683 -54.68744 183.0076 
1 1 1    2   16   12 o  244.496   96.112   0.2160   0.3166  -0.3291   0.4371   0.8180   0.4593  201.428   94.292  386.573  118.175 -185.1449 151.1827 
1 1 1    2   16   13 o  766.948   62.795   2.8427   0.4393   2.6645   0.6182   3.0245   0.6243  720.464   95.610  772.926   89.432 -52.46228 130.9177 
1 1 1    2   16   14 o  473.080   81.898   1.1303   0.3436   1.1727   0.4412   1.0648   0.5477  469.815  104.737  435.304  128.134 34.51077 165.4934 
1 1 1    2   16   15 o  773.681   58.993   2.8684   0.4168   2.7314   0.5442   3.0627   0.6483  742.072   81.017  778.100   92.345 -36.02753 122.8466 
1 1 1    2   16   16 o  592.104   72.937   1.7148   0.3890   1.5708   0.5026   1.9299   0.6143  550.879  102.928  604.467  114.645 -53.58789 154.0704 
1 1 1    2   16   17 o  401.681  113.167   0.8523   0.4362   1.4727   0.6660   0.3863   0.5772  514.899  137.829  322.157  128.763 192.7422 188.6183 
1 1 1    2   16   18 o  256.516  103.544   0.1967   0.3773  -0.0853   0.4841   0.6327   0.6020  241.602  107.651  362.351  134.927 -120.7482 172.6090 
1 1 1    2   16   19 o  524.397  112.310   1.4653   0.5256   1.1635   0.5729   3.0703   1.3212  456.940  130.034  673.403  199.232 -216.4634 237.9123 
1 1 1    2   16   20 o  266.691  109.304   0.2234   0.4281   0.3995   0.5559  -0.0331   0.6710  312.977  125.914  279.721  125.531 33.25641 177.7982 
1 1 1    2   16   21 o  592.966   93.591   1.8551   0.4937   1.7752   0.7083   1.9305   0.6886  535.855  141.537  568.285  133.884 -32.43011 194.8269 
1 1 1    2   16   22 o  341.766  120.830   0.6948   0.4744   1.1007   0.6618   0.2659   0.6803  404.394  142.748  293.661  129.387 110.7326 192.6602 
1 1 1    2   16   23 o  288.097  134.157   0.0965   0.8661  -0.2501   1.2431   0.4235   1.2075  298.800  144.943  328.344  154.653 -29.54379 211.9581 
1 1 1    2   18    0 o  986.625   46.040   4.5315   0.4180   3.8141   0.5733   5.3457   0.6107  895.781   70.112  1064.60   62.617 -168.8217 94.00308 
1 1 1    2   18    1 o  644.972   52.399   1.9561   0.3083   2.4214   0.4506   1.5467   0.4227  712.549   69.619  563.108   84.156 149.4409 109.2205 
1 1 1    2   18    2 o  972.365   45.190   4.4032   0.4043   4.4943   0.5754   4.3143   0.5683  974.308   64.543  954.282   65.111 20.02612 91.68018 
1 1 1    2   18    3 o  1499.15   40.416   10.448   0.5575   11.058   0.8063   9.8891   0.7718  1534.43   57.104  1450.70   57.815 83.72302 81.26176 
1 1 1    2   18    4 o  224.466   85.189   0.1838   0.2425   0.5884   0.3303  -0.2894   0.3571  341.610   99.198  184.932   86.126 156.6785 131.3690 
1 1 1    2   18    5 o  982.490   52.466   4.5479   0.4726   4.8051   0.5782   4.0302   0.8204  1004.89   62.844  896.696  101.197 108.1981 119.1230 
1 1 1    2   18    6 o  278.790   95.188   0.3672   0.2931   0.5833   0.4675   0.2272   0.3763  343.900  120.080  262.382  104.253 81.51813 159.0223 
1 1 1    2   18    7 f  189.724   83.344  -0.0371   0.2804  -0.4281   0.4265   0.2603   0.3721  191.202   90.615  266.323  104.344 -75.12074 138.1981 
1 1 1    2   18    8 o  343.754   90.064   0.6112   0.2883   1.0672   0.3957   0.0952   0.4209  452.185   97.931  247.762  105.421 204.4222 143.8892 
1 1 1    2   18    9 o  352.131   93.862   0.6494   0.3097   0.8453   0.4275   0.4331   0.4492  394.420  112.354  307.305  116.113 87.11508 161.5720 
1 1 1    2   18   10 o  385.793  101.262   0.7943   0.3640   1.6263   0.5046  -0.1084   0.5256  555.228  102.550  244.576  110.310 310.6523 150.6149 
1 1 1    2   18   11 o  907.468   62.632   3.9801   0.5198   4.1750   0.6797   3.7055   0.8068  914.546   81.621  838.591  106.992 75.95490 134.5706 
1 1 1    2   18   12 o  706.422   66.400   2.4317   0.4265   2.0363   0.5976   2.8424   0.6090  618.031  109.071  747.311   90.404 -129.2808 141.6667 
1 1 1    2   18   13 o  602.651   75.883   1.8021   0.4115   1.5441   0.5578   2.1100   0.6095  531.685  117.169  630.312  109.026 -98.62714 160.0478 
1 1 1    2   18   14 o  358.159  106.223   0.6793   0.3752   0.6435   0.5223   0.7174   0.5394  353.749  126.600  368.196  128.960 -14.44650 180.7164 
1 1 1    2   18   15 f  593.268   71.440   1.7197   0.3822   1.7548   0.5049   1.6725   0.5848  585.731   97.072  559.068  117.413 26.66296 152.3446 
1 1 1    2   18   16 o  391.821  110.681   0.8103   0.4166   2.0052   0.6932   0.1346   0.5213  608.386  127.891  276.784  117.533 331.6016 173.6949 
1 1 1    2   18   17 o  319.492  106.372   0.5104   0.3660   1.3598   0.4970  -0.4962   0.5411  508.180  109.523  216.785  102.540 291.3952 150.0321 
1 1 1    2   18   18 o  741.771   73.383   2.6934   0.4943   3.7315   0.6734   1.4805   0.7279  865.084   85.724  503.143  147.605 361.9414 170.6918 
1 1 1    2   18   19 o  779.418   83.047   3.0533   0.5864   3.0256   0.6442   3.1873   1.4164  767.797   93.092  647.159  208.897 120.6387 228.7005 
1 1 1    2   18   20 o  313.239  119.127   0.4932   0.4748   0.4850   0.6865   0.5007   0.6572  330.049  137.150  329.519  135.291 0.5298462 192.6490 
1 1 1    2   18   21 o  505.726  113.784   1.4940   0.5167   1.7731   0.6701   1.0848   0.8114  525.720  137.106  394.403  154.207 131.3174 206.3441 
1 1 1    2   18   22 o  316.026  119.137   0.6024   0.4722   1.0461   0.6157  -0.0315   0.7359  386.023  137.531  265.710  123.708 120.3137 184.9819 
1 1 1    2   20    0 o  643.969   70.150   2.0097   0.4090   2.6050   0.7971   1.7970   0.4764  696.631  129.103  599.482   89.079 97.14948 156.8526 
1 1 1    2   20    1 o  383.902   93.591   0.7569   0.3276   0.5577   0.5290   0.8808   0.4173  343.770  126.777  409.164  108.911 -65.39407 167.1349 
1 1 1    2   20    2 o  264.926  106.268   0.2249   0.3947   1.0222   0.5834  -0.4480   0.5359  431.604  133.395  219.522  103.286 212.0817 168.7079 
1 1 1    2   20    3 o  534.137   96.427   1.4618   0.4565   0.7517   0.5918   2.5048   0.7172  379.969  134.897  687.601  117.586 -307.6319 178.9512 
1 1 1    2   20    4 o  307.688  102.230   0.4740   0.3382   0.5896   0.5200   0.3892   0.4451  345.311  125.951  301.167  115.154 44.14331 170.6576 
1 1 1    2   20    5 o  665.732   70.508   2.1676   0.4253   2.6652   0.7068   1.8850   0.5326  709.637  111.952  603.403   99.381 106.2337 149.6990 
1 1 1    2   20    6 o  343.204   97.019   0.6191   0.3200   0.4179   0.4258   0.8802   0.4851  301.670  113.246  399.081  121.337 -97.41098 165.9740 
1 1 1    2   20    7 o  1187.21   48.094   6.6635   0.5254   7.3512   0.7369   5.9522   0.7493  1231.72   65.247  1099.61   74.498 132.1050 99.03099 
1 1 1    2   20    8 o  201.543   86.330   0.0351   0.2857  -0.0086   0.3894   0.0860   0.4205  223.492   98.198  244.036  104.638 -20.54375 143.4988 
1 1 1    2   20    9 o  561.650   84.666   1.6040   0.4240   1.8488   0.5307   1.1721   0.7049  592.535  100.955  441.420  147.625 151.1150 178.8435 
1 1 1    2   20   10 f  538.675   89.392   1.4920   0.4276   1.5997   0.5668   1.3499   0.6513  538.531  117.661  477.798  139.473 60.73300 182.4740 
1 1 1    2   20   11 o  701.889   64.574   2.3967   0.4124   2.7039   0.6060   2.1317   0.5628  725.983   92.842  639.378   98.844 86.60468 135.6091 
1 1 1    2   20   12 f  364.397  104.394   0.7101   0.3680   1.2086   0.5274   0.2371   0.5137  465.407  121.746  284.396  118.448 181.0118 169.8592 
1 1 1    2   20   13 o  466.967   97.615   1.1381   0.4059   0.9474   0.5700   1.3343   0.5782  411.580  132.482  488.292  127.366 -76.71143 183.7756 
1 1 1    2   20   14 o  311.928  106.796   0.4807   0.3690  -0.2136   0.5007   1.3057   0.5458  230.810  105.496  489.507  121.699 -258.6966 161.0593 
1 1 1    2   20   15 o  409.756  125.028   0.9098   0.5144   0.4235   1.0314   1.0709   0.5935  377.902  162.981  439.533  134.333 -61.63144 211.2063 
1 1 1    2   20   16 o  704.117   82.542   2.4595   0.5246   2.6513   0.7639   2.2883   0.7218  702.858  122.577  649.942  125.231 52.91632 175.2369 
1 1 1    2   20   17 o  708.843   71.716   2.4609   0.4613   2.3201   0.5902   2.6822   0.7397  670.804   98.556  706.643  117.907 -35.83942 153.6734 
1 1 1    2   20   18 o  508.840  112.712   1.4198   0.5138   1.8692   0.5748  -0.3673   1.1463  587.852  110.317  320.726  150.951 267.1267 186.9649 
1 1 1    2   20   19 o  320.704  115.737   0.5504   0.4374   0.6394   0.5522   0.4006   0.7167  341.678  128.828  321.530  137.203 20.14819 188.2051 
1 1 1    2   20   20 f  665.334  101.213   2.4557   0.6001   2.7271   0.8198   2.1424   0.8809  652.050  140.758  538.713  163.433 113.3367 215.6929 
1 1 1    2   20   21 o  427.549  122.327   1.1792   0.5056   0.8282   0.6311   1.8082   0.8448  348.688  136.093  469.569  161.558 -120.8803 211.2397 
1 1 1    2   22    0 o  248.903  103.890   0.1495   0.3964   0.2339   0.4961   0.0005   0.6593  280.604  116.594  281.412  125.491 -0.8076782 171.2955 
1 1 1    2   22    1 o  561.323   90.273   1.6179   0.4505   2.7891   0.8169   1.1062   0.5400  704.382  130.859  441.537  126.446 262.8443 181.9690 
1 1 1    2   22    2 o  218.094   97.006  -0.0543   0.3913   0.3372   0.7064  -0.2276   0.4700  323.188  137.003  218.964  100.864 104.2247 170.1274 
1 1 1    2   22    3 o  824.997   60.273   3.2866   0.4544   3.1437   0.6303   3.4413   0.6557  785.815   88.720  823.146   87.924 -37.33118 124.9072 
1 1 1    2   22    4 o  476.279   86.928   1.1685   0.3669   1.6467   0.5197   0.6930   0.5182  554.520  105.705  357.639  126.301 196.8813 164.6981 
1 1 1    2   22    5 o  552.987   74.107   1.5257   0.3676   1.4765   0.4985   1.5844   0.5442  522.896  107.204  537.368  113.620 -14.47211 156.2116 
1 1 1    2   22    6 o  333.316  104.957   0.5933   0.3593   0.5145   0.4821   0.6917   0.5389  322.181  120.586  357.345  128.519 -35.16385 176.2332 
1 1 1    2   22    7 o  560.229   76.859   1.5747   0.3858   2.1674   0.5516   1.0074   0.5397  644.909   95.869  418.300  128.142 226.6088 160.0349 
1 1 1    2   22    8 o  230.811   98.189   0.0872   0.3650   0.4265   0.4926  -0.3258   0.5436  308.061  120.238  226.774  105.828 81.28691 160.1772 
1 1 1    2   22    9 o  294.536  107.030   0.4198   0.3750   0.7914   0.4772  -0.1802   0.6065  377.254  121.196  253.161  115.858 124.0926 167.6653 
1 1 1    2   22   10 o  193.620   87.908  -0.1325   0.3404   0.1366   0.4727  -0.4222   0.4906  261.901  111.585  206.615   97.701 55.28571 148.3129 
1 1 1    2   22   11 o  559.482   85.654   1.5887   0.4269   2.1729   0.5941   0.9650   0.6139  642.808  103.993  411.039  137.768 231.7691 172.6115 
1 1 1    2   22   12 o  349.403  109.823   0.6445   0.3936   1.3838   0.5598  -0.0781   0.5534  500.812  122.486  255.318  114.332 245.4945 167.5544 
1 1 1    2   22   13 o  371.505  108.257   0.7304   0.3927   1.0023   0.5773   0.4963   0.5358  424.786  132.934  330.831  126.374 93.95505 183.4174 
1 1 1    2   22   14 o  524.609  113.257   1.4682   0.5307  -0.1362   0.9821   2.1300   0.6307  324.901  148.209  635.635  111.925 -310.7344 185.7230 
1 1 1    2   22   15 o  473.545  105.886   1.1889   0.4498   0.9759   0.6612   1.3725   0.6137  416.569  142.953  493.018  132.456 -76.44937 194.8847 
1 1 1    2   22   16 o  398.404  117.108   0.8748   0.4578   1.7234   0.6718   0.1392   0.6255  547.859  134.307  290.455  126.088 257.4037 184.2189 
1 1 1    2   22   17 o  345.088  134.690   0.6074   0.6182   0.7066   0.7314   0.3594   1.1563  365.517  145.318  362.445  163.529 3.072601 218.7679 
1 1 1    2   22   18 o  322.728  116.396   0.5712   0.4423   0.9889   0.5978   0.0658   0.6576  398.782  135.936  276.965  124.282 121.8174 184.1858 
1 1 1    2   22   19 o  268.094  110.692   0.3018   0.4431   0.1969   0.5631   0.4724   0.7180  269.668  118.295  314.793  135.873 -45.12436 180.1532 
1 1 1    2   22   20 o  197.357   94.447  -0.3770   0.4870   0.2617   0.6417  -1.2445   0.7478  277.036  123.649  201.038  100.252 75.99776 159.1839 
1 1 1    2   24    0 o  479.550  108.752   1.2589   0.4688   1.1874   0.5634   1.4200   0.8455  451.340  129.130  467.749  161.586 -16.40891 206.8441 
1 1 1    2   24    1 o  477.608   94.963   1.2040   0.4026   1.5967   0.5886   0.8587   0.5520  530.300  123.015  386.901  130.631 143.3990 179.4357 
1 1 1    2   24    2 o  1025.02   57.242   5.0587   0.5377   4.6926   0.7273   5.5003   0.7987  964.224   82.774  1043.03   83.928 -78.80731 117.8790 
1 1 1    2   24    3 o  695.470   69.093   2.3855   0.4363   2.3065   0.6105   2.4678   0.6238  657.133  104.463  681.623  102.632 -24.49023 146.4436 
1 1 1    2   24    4 o  232.174   98.607   0.0972   0.3670   0.3517   0.5312  -0.1353   0.5078  299.774  122.183  235.536  107.103 64.23792 162.4803 
1 1 1    2   24    5 o  225.562  105.036  -0.2977   0.5309  -0.0737   0.8765  -0.4275   0.6672  303.915  139.158  244.002  114.939 59.91380 180.4877 
1 1 1    2   24    6 o  663.352  118.932   2.4366   0.6993   1.9970   1.0423   2.7964   0.9430  533.518  179.511  671.692  155.621 -138.1739 237.5756 
1 1 1    2   24    7 o  451.699  133.241   1.1993   0.5917   0.4259   0.8451   1.9429   0.8287  344.419  148.027  555.453  155.813 -211.0345 214.9173 
1 1 1    2   24    8 o  508.315   90.833   1.3402   0.4093   1.1681   0.5630   1.5330   0.5960  449.554  129.224  518.890  126.065 -69.33640 180.5306 
1 1 1    2   24    9 o  493.987   94.488   1.2726   0.4138   1.6140   0.5709   0.8946   0.6008  541.268  117.956  397.030  136.264 144.2383 180.2263 
1 1 1    2   24   10 o  555.754   84.561   1.5615   0.4188   1.4367   0.5532   1.7292   0.6410  510.643  119.801  555.371  128.045 -44.72754 175.3509 
1 1 1    2   24   11 o  721.475   71.729   2.5460   0.4699   2.9766   0.6607   2.1053   0.6684  763.531   96.177  623.054  120.939 140.4772 154.5197 
1 1 1    2   24   12 o  407.751  113.151   0.8970   0.4395   1.0025   0.6078   0.7814   0.6363  422.432  136.893  383.923  139.425 38.50928 195.3946 
1 1 1    2   24   13 o  404.124  130.593   0.9067   0.5535  -0.6721   1.0994   1.4427   0.6405  305.228  144.893  502.719  135.430 -197.4908 198.3312 
1 1 1    2   24   14 o  266.359  111.570   0.1792   0.4595   0.6233   0.6614  -0.2351   0.6388  356.869  139.313  256.432  117.926 100.4376 182.5229 
1 1 1    2   24   15 o  400.856  119.862   0.9070   0.4763   0.1149   0.6323   1.9461   0.7242  285.771  125.358  573.513  138.739 -287.7429 186.9841 
1 1 1    2   24   16 o  463.541  140.966   1.3458   0.6547   2.1446   0.7835  -0.5028   1.1920  584.994  146.017  308.969  147.836 276.0245 207.7898 
1 1 1    2   24   17 o  237.980  107.273  -0.0221   0.4962   0.1359   0.6632  -0.2231   0.7480  280.408  125.392  262.700  123.094 17.70786 175.7133 
1 1 1    2   24   18 o  715.927  110.815   3.0131   0.7064   3.2731   0.9141   2.6275   1.1132  689.162  148.522  529.988  185.278 159.1745 237.4592 
1 1 1    2   24   19 o  239.510  111.353  -0.0510   0.5929   1.0078   1.0084  -0.6103   0.7329  348.205  155.242  223.829  109.184 124.3764 189.7925 
1 1 1    2   26    0 o  238.618  101.362   0.1101   0.3880   0.4008   0.5477  -0.1826   0.5496  308.421  124.668  239.624  109.894 68.79710 166.1888 
1 1 1    2   26    1 o  432.357  112.416   1.0424   0.4514   0.8168   0.6103   1.3150   0.6707  378.163  136.672  463.246  143.008 -85.08234 197.8143 
1 1 1    2   26    2 f  367.446  121.515   0.7573   0.4780   0.6449   0.5688   1.0273   0.8819  348.335  130.862  411.110  160.763 -62.77451 207.2914 
1 1 1    2   26    3 o  1053.34   71.482   5.4756   0.6887   4.7616   0.8062   7.4050   1.3252  960.732   92.328  1146.16  127.834 -185.4243 157.6894 
1 1 1    2   26    4 o  672.067   83.620   2.2953   0.5059   2.3188   0.6885   2.2677   0.7460  644.954  120.437  624.830  133.786 20.12408 180.0105 
1 1 1    2   26    5 o  280.660  108.348   0.3420   0.3966   0.1458   0.4997   0.6758   0.6520  266.915  114.249  359.246  138.852 -92.33136 179.8125 
1 1 1    2   26    6 o  384.050  110.744   0.8093   0.4129   0.5038   0.5349   1.2598   0.6495  325.438  125.771  459.442  140.545 -134.0037 188.6033 
1 1 1    2   26    7 o  538.392   96.032   1.5118   0.4583   1.4782   0.6247   1.5509   0.6744  506.238  132.548  513.449  139.235 -7.211670 192.2378 
1 1 1    2   26    8 o  1047.53   61.297   5.2809   0.5883   6.0809   0.8209   4.4362   0.8435  1106.39   81.197  926.284  100.577 180.1091 129.2619 
1 1 1    2   26    9 o  303.520  110.921   0.4369   0.4036   0.3028   0.4964   0.6986   0.6934  292.291  118.494  371.882  143.341 -79.59079 185.9771 
1 1 1    2   26   10 o  285.543  120.248   0.2066   0.5384  -0.7326   1.0176   0.5717   0.6345  289.555  138.005  349.163  136.412 -59.60818 194.0458 
1 1 1    2   26   11 o  508.642  125.074   1.4474   0.5813   0.9367   1.0234   1.6907   0.7063  416.440  169.648  538.189  140.952 -121.7495 220.5627 
1 1 1    2   26   12 o  593.969  143.615   2.0865   0.7763   0.5155   1.1848   3.2683   1.0276  383.851  169.854  733.550  156.980 -349.6985 231.2864 
1 1 1    2   26   13 o  255.035  112.361   0.0341   0.5129  -0.8892   0.6178   2.0830   0.9203  204.736   99.952  561.552  166.317 -356.8165 194.0405 
1 1 1    2   26   14 o  803.985   85.916   3.3304   0.6258   3.2778   0.8721   3.3863   0.8984  748.140  131.484  757.901  133.711 -9.760620 187.5274 
1 1 1    2   26   15 o  363.162  135.868   0.8083   0.6119   0.7468   0.6842   1.0539   1.3673  354.509  140.671  394.494  177.923 -39.98508 226.8148 
1 1 1    2   26   16 o  503.418  121.531   1.5652   0.5566   1.7896   0.7908   1.3450   0.7835  489.636  155.881  421.338  154.456 68.29761 219.4433 
1 1 1    2   26   17 o  335.467  127.638   0.7587   0.5452   0.5927   0.7527   0.9417   0.7906  314.384  137.369  351.326  146.685 -36.94156 200.9646 
1 1 1    2   26   18 o  300.065  147.441   0.1439   1.4118   0.0000   0.0000   0.1439   1.4118  ?   ?   300.065  147.441 0.000000 147.4409 
1 1 1    2   28    0 f  722.299   83.300   2.6342   0.5435   2.8733   0.7905   2.4199   0.7484  718.940  123.974  653.993  128.954 64.94739 178.8813 
1 1 1    2   28    1 o  673.328   89.228   2.3207   0.5392   2.4147   0.7344   2.2108   0.7942  655.964  126.253  609.907  143.856 46.05676 191.4008 
1 1 1    2   28    2 o  247.451  108.087   0.0399   0.4657  -0.5769   0.6050   0.9366   0.7295  222.005  105.975  402.782  148.814 -180.7770 182.6917 
1 1 1    2   28    3 o  1244.95   61.880   7.4651   0.7089   6.9444   0.9597   8.0904   1.0516  1169.67   89.853  1261.04   91.243 -91.37927 128.0574 
1 1 1    2   28    4 o  1105.25   64.820   5.9192   0.6563   4.7155   0.8660   7.5435   1.0060  953.450  100.211  1220.11   90.249 -266.6597 134.8595 
1 1 1    2   28    5 f  241.875  104.538   0.0568   0.4262   0.2737   0.5762  -0.2049   0.6331  298.861  125.043  257.692  118.095 41.16913 171.9943 
1 1 1    2   28    6 o  337.786  119.208   0.5902   0.4615   0.8263   0.6032   0.2570   0.7167  386.292  136.291  316.950  136.275 69.34244 192.7329 
1 1 1    2   28    7 o  388.842  123.519   0.8380   0.4967   1.2814   0.6504   0.2176   0.7695  467.208  140.149  319.763  139.325 147.4452 197.6189 
1 1 1    2   28    8 o  689.356   97.817   2.4661   0.6031   3.2336   0.7437   0.9921   1.0307  783.344  105.885  419.304  170.469 364.0392 200.6770 
1 1 1    2   28    9 o  435.227  127.578   1.0856   0.5440   1.1855   0.6566   0.8672   0.9713  445.875  142.050  401.055  164.544 44.82007 217.3773 
1 1 1    2   28   10 o  343.262  120.535   0.6342   0.4714   0.4664   0.6226   0.8596   0.7216  326.558  132.594  387.952  147.027 -61.39392 197.9852 
1 1 1    2   28   11 o  297.129  126.554   0.2742   0.6077   0.1364   1.1390   0.3291   0.7185  342.621  157.524  316.800  136.333 25.82129 208.3274 
1 1 1    2   28   12 o  437.829  121.776   1.1332   0.5085   1.2837   0.6825   0.9454   0.7622  445.320  145.102  388.316  150.119 57.00391 208.7834 
1 1 1    2   28   13 o  357.200  127.062   0.7761   0.5253   1.0533   0.7314   0.4807   0.7550  394.591  148.370  323.725  139.529 70.86581 203.6714 
1 1 1    2   28   14 o  293.391  126.843   0.3672   0.6278   0.3030   0.7101   0.5973   1.3438  293.867  130.694  347.085  163.380 -53.21884 209.2220 
1 1 1    2   28   15 o  366.626  152.211   1.1050   0.8445   0.0000   0.0000   1.1050   0.8445  ?   ?   366.626  152.211 0.000000 152.2109 
1 1 1    2   28   16 o  517.466  151.821   2.1757   0.7700   2.3328   1.5472   2.1240   0.8878  388.223  180.290  471.337  165.423 -83.11423 244.6824 
1 1 1    2   30    0 o  840.009   78.563   3.5153   0.6002   4.7304   0.8801   2.4588   0.8207  951.500  102.113  648.244  141.550 303.2559 174.5374 
1 1 1    2   30    1 o  817.149   84.353   3.3671   0.6251   2.7177   0.8460   4.1482   0.9278  684.984  138.978  872.954  118.569 -187.9695 182.6841 
1 1 1    2   30    2 f  274.380  115.587   0.1960   0.4978   0.2099   0.6371   0.1743   0.7975  298.451  128.406  316.909  139.838 -18.45834 189.8491 
1 1 1    2   30    3 f  506.333  135.182   1.5019   0.6416   1.3060   0.7590   1.9923   1.2010  459.248  153.190  523.352  191.330 -64.10443 245.1003 
1 1 1    2   30    4 o  332.676  129.163   0.5355   0.5662  -0.0157   0.6302   2.8431   1.2893  272.564  122.031  615.899  199.355 -343.3350 233.7391 
1 1 1    2   30    5 o  343.257  127.340   0.6180   0.5352   1.3303   0.7109  -0.3141   0.8132  464.247  147.797  277.894  129.603 186.3529 196.5729 
1 1 1    2   30    6 o  483.810  120.305   1.3299   0.5333   1.6073   0.7111   0.9732   0.8063  511.335  144.648  403.294  154.802 108.0408 211.8649 
1 1 1    2   30    7 o  371.697  124.436   0.7894   0.5008   0.4138   0.6388   1.3886   0.8068  318.403  132.302  460.116  157.911 -141.7131 206.0092 
1 1 1    2   30    8 o  295.345  118.212   0.3839   0.4872   0.6938   0.6585   0.0092   0.7242  354.837  138.874  284.353  128.751 70.48425 189.3747 
1 1 1    2   30    9 o  483.322  144.221   1.5120   0.6901   1.0126   1.2093   1.7532   0.8404  397.194  173.818  500.726  160.833 -103.5312 236.8115 
1 1 1    2   30   10 o  374.782  141.969   0.9010   0.6726   1.8734   1.2844   0.5336   0.7895  455.717  188.333  331.987  142.886 123.7302 236.4019 
1 1 1    2   30   11 o  279.095  117.957   0.3186   0.5211   0.4124   0.6809   0.1859   0.8097  305.027  131.985  295.276  134.647 9.750824 188.5465 
1 1 1    2   30   12 o  265.432  115.630   0.2449   0.5298   0.0322   0.6846   0.5624   0.8364  263.090  121.383  320.038  142.109 -56.94785 186.8923 
1 1 1    2   30   13 o  366.219  142.461   1.0642   0.6898   0.8317   0.7817   1.8823   1.4661  333.093  142.740  382.694  176.938 -49.60031 227.3362 
1 1 1    2   30   14 o  270.687  118.212   0.3813   0.5568  -0.4119   0.6906   1.8534   0.9409  222.313  107.886  415.128  164.888 -192.8143 197.0470 
1 1 1    2   32    0 o  282.363  121.992   0.2034   0.5799   0.0061   0.7614   0.4759   0.8949  288.623  131.209  343.801  150.013 -55.17798 199.2983 
1 1 1    2   32    1 o  325.733  130.442   0.5261   0.5936   0.5572   0.7817   0.4837   0.9122  343.210  144.730  345.160  151.008 -1.950348 209.1652 
1 1 1    2   32    2 o  217.177  102.911  -0.4125   0.5498   0.1898   0.7357  -1.1741   0.8273  300.437  133.351  227.842  112.132 72.59528 174.2299 
1 1 1    2   32    3 o  251.723  113.641  -0.0321   0.5594   0.2039   0.7105  -0.4171   0.9073  297.644  131.628  276.992  131.530 20.65271 186.0806 
1 1 1    2   32    4 o  290.249  124.632   0.2774   0.5981  -0.5210   0.6669   3.5580   1.3518  231.687  110.783  644.540  203.662 -412.8524 231.8424 
1 1 1    2   32    5 o  277.139  119.422   0.2318   0.5528   0.7131   0.7299  -0.4155   0.8466  350.962  143.160  265.267  126.276 85.69537 190.8939 
1 1 1    2   32    6 o  237.222  109.700  -0.1516   0.5640   0.7403   0.7860  -1.0981   0.8097  351.762  146.507  223.572  110.204 128.1909 183.3285 
1 1 1    2   32    7 o  305.309  133.617   0.3861   0.7147   3.3480   1.5025  -0.4800   0.8125  545.361  210.786  251.577  120.817 293.7843 242.9559 
1 1 1    2   32    8 o  216.848  106.153  -0.7916   0.7109  -0.9259   1.3324  -0.7382   0.8406  282.230  139.541  238.863  116.608 43.36667 181.8489 
1 1 1    2   32    9 o  389.294  136.266   1.0919   0.6022   1.1110   0.7735   1.0624   0.9596  375.100  149.340  361.263  156.502 13.83713 216.3223 
1 1 1    2   32   10 o  310.530  129.390   0.6369   0.6134   0.7821   0.8139   0.4459   0.9333  326.376  142.720  301.910  140.144 24.46613 200.0235 
1 1 1    2   32   11 o  295.324  127.331   0.5744   0.6292   0.2490   0.6907   2.1614   1.5254  266.656  122.624  371.720  174.691 -105.0642 213.4331 
1 1 1    2   32   12 o  264.696  122.066   0.3035   0.6911   0.3498   0.7724   0.1177   1.5474  272.244  126.748  286.276  142.986 -14.03116 191.0760 
1 1 1    2   34    0 o  238.640  111.708  -0.1615   0.6134  -0.2241   0.7597  -0.0443   1.0395  254.774  120.798  292.784  139.527 -38.00990 184.5533 
1 1 1    2   34    1 o  392.477  137.329   1.0926   0.6116   0.8077   0.7848   1.5332   0.9760  343.552  144.954  413.941  166.737 -70.38986 220.9364 
1 1 1    2   34    2 o  302.547  129.727   0.4870   0.6463   1.3721   0.8661  -0.6254   0.9710  403.024  158.792  256.587  125.276 146.4365 202.2598 
1 1 1    2   34    3 o  429.230  141.288   1.3607   0.6465   1.0916   0.8333   1.7673   1.0244  368.599  151.956  426.256  171.128 -57.65720 228.8562 
1 1 1    2   34    4 o  391.278  142.132   1.1776   0.6613   0.9269   0.8638   1.5324   1.0278  345.728  149.127  395.336  166.292 -49.60818 223.3648 
1 1 1    2   34    5 o  290.336  132.959   0.3594   0.8005   0.4533   1.3345   0.3066   1.0006  315.462  152.337  297.023  140.169 18.43881 207.0119 
1 1 1    2   34    6 o  213.329  105.848  -0.9414   0.7922   0.1254   1.4633  -1.3838   0.9423  299.746  147.830  216.801  108.762 82.94421 183.5285 
1 1 1    2   34    7 o  238.541  112.387  -0.0334   0.6385   0.4739   0.8334  -0.7545   0.9935  289.202  133.602  238.808  118.497 50.39351 178.5811 
1 1 1    2   34    8 o  455.959  143.461   1.7571   0.6714   1.3146   0.8684   2.4146   1.0586  352.375  150.711  433.280  173.953 -80.90536 230.1596 
1 1 1    2   34    9 o  311.324  132.662   0.8479   0.6684   1.0023   0.8628   0.6161   1.0569  315.535  141.913  287.920  138.144 27.61481 198.0483 
1 1 1    2   34   10 o  238.043  121.499  -1.7236   1.5477  -1.7236   1.5477   0.0000   0.0000  238.043  121.499  ?   ?  0.000000 121.4988 
1 1 1    2   36    0 o  278.118  125.771   0.5155   0.6886   0.9675   0.8762  -0.2142   1.1134  313.438  141.798  256.674  127.023 56.76361 190.3723 
1 1 1    2   36    1 o  433.901  163.112   2.1421   0.8839   2.1290   1.0289   2.1791   1.7270  396.383  166.536  331.761  163.027 64.62256 233.0495 
1 1 1    2   36    2 o  252.971  124.552  -0.1310   1.0243  -1.1839   1.3108   1.5204   1.6416  239.167  121.007  312.447  154.555 -73.28059 196.2901 
1 1 1    2   36    3 f  263.653  125.856   0.3087   0.8532   0.7053   1.4010   0.0749   1.0758  287.905  142.479  260.971  128.327 26.93384 191.7501 
1 1 1    2   36    4 o  401.133  162.337   2.0993   0.9299   3.3161   1.5097   1.3554   1.1804  380.119  177.047  313.100  149.064 67.01898 231.4428 
1 1 1    2   36    5 o  304.482  150.956   1.6751   1.5990   0.0000   0.0000   1.6751   1.5990  ?   ?   304.482  150.956 0.000000 150.9564 
1 1 1    2   36    6 o  298.463  149.279   1.7664   1.7131   1.7664   1.7131   0.0000   0.0000  298.463  149.279  ?   ?  0.000000 149.2790 
1 1 1    3    1    0 o  917.390   34.152   3.8766   0.2883   3.7857   0.4057   3.9693   0.4098  904.704   48.916  926.508   48.229 -21.80426 68.69361 
1 1 1    3    1    1 o  5089.20   32.973  119.295   1.5441  119.496   2.1988  119.099   2.1689  5090.56   46.940  5082.25   46.379 8.311035 65.98821 
1 1 1    3    1    2 o  823.081   24.665   3.1189   0.1868   3.3196   0.2679   2.9290   0.2606  848.891   34.299  797.352   35.520 51.53925 49.37707 
1 1 1    3    1    3 o  3154.41   20.957   45.803   0.6083   45.998   0.8664   45.614   0.8542  3160.28   29.795  3147.11   29.499 13.17261 41.92738 
1 1 1    3    1    4 o  3665.50   22.168   61.856   0.7477   62.502   1.0725   61.246   1.0429  3683.34   31.643  3646.21   31.085 37.13501 44.35731 
1 1 1    3    1    5 f  1445.87   24.484   9.6273   0.3258   9.5731   0.4610   9.6814   0.4603  1441.09   34.766  1449.24   34.521 -8.151367 48.99343 
1 1 1    3    1    6 o  288.910   45.744   0.3948   0.1176   0.4233   0.1702   0.3687   0.1625  296.650   64.221  276.629   64.966 20.02020 91.35046 
1 1 1    3    1    7 o  682.308   29.038   2.1446   0.1823   2.1557   0.2664   2.1349   0.2500  682.238   42.658  679.185   40.181 3.052612 58.60178 
1 1 1    3    1    8 o  1497.63   25.030   10.327   0.3449   10.845   0.5017   9.8628   0.4750  1534.12   35.539  1462.99   35.287 71.13513 50.08148 
1 1 1    3    1    9 o  1297.58   30.937   7.7563   0.3694   7.9944   0.5301   7.5315   0.5151  1316.51   43.755  1277.82   43.805 38.68298 61.91415 
1 1 1    3    1   10 o  751.762   38.600   2.6142   0.2661   2.7422   0.3752   2.4847   0.3775  768.150   53.419  730.541   56.592 37.60840 77.82233 
1 1 1    3    1   11 o  864.268   32.948   3.4482   0.2620   3.0044   0.3573   3.9643   0.3854  803.736   48.544  925.322   45.262 -121.5866 66.37115 
1 1 1    3    1   12 o  569.320   60.933   1.5336   0.3143   2.2509   0.4837   1.0098   0.4134  685.639   78.064  449.291  102.281 236.3479 128.6682 
1 1 1    3    1   13 o  658.506   41.562   2.0248   0.2505   2.3174   0.3665   1.7682   0.3433  700.180   57.392  609.557   62.067 90.62292 84.53459 
1 1 1    3    1   14 o  424.327   58.170   0.8657   0.2211   0.7101   0.3083   1.0307   0.3174  373.537   90.615  456.446   78.401 -82.90900 119.8243 
1 1 1    3    1   15 o  1441.72   36.527   9.6854   0.4846   10.329   0.6503   8.8824   0.7266  1482.26   47.681  1367.79   57.728 114.4633 74.87325 
1 1 1    3    1   16 o  360.368   76.964   0.6542   0.2475   0.5630   0.3444   0.7515   0.3557  330.171  102.572  378.348  100.487 -48.17654 143.5923 
1 1 1    3    1   17 o  297.991   85.558   0.4508   0.2469   0.5346   0.3384   0.3555   0.3611  322.944  101.886  283.031  104.674 39.91223 146.0734 
1 1 1    3    1   18 o  844.977   45.818   3.3609   0.3549   3.4502   0.5080   3.2758   0.4961  846.193   65.756  824.305   65.955 21.88812 93.13374 
1 1 1    3    1   19 o  1038.30   44.860   5.0473   0.4286   4.9786   0.6118   5.1136   0.6006  1019.38   65.569  1034.47   63.406 -15.09833 91.21178 
1 1 1    3    1   20 o  242.859   97.818   0.1654   0.3359   0.1740   0.4831   0.1574   0.4674  276.942  115.061  271.255  112.978 5.687378 161.2540 
1 1 1    3    1   21 o  308.545  104.014   0.4608   0.3500   0.3265   0.4551   0.6552   0.5475  295.452  115.494  364.806  129.719 -69.35330 173.6836 
1 1 1    3    1   22 o  293.278  100.559   0.4140   0.3271   0.9075   0.4878   0.0105   0.4410  410.601  120.943  242.470  105.568 168.1309 160.5358 
1 1 1    3    1   23 o  334.903  127.049   0.5431   0.5391  -0.3477   0.7306   1.6083   0.7989  265.061  123.358  511.570  155.747 -246.5092 198.6817 
1 1 1    3    1   24 o  221.207   96.093   0.0418   0.3638   0.1891   0.5219  -0.0974   0.5073  272.719  116.744  236.937  107.476 35.78218 158.6830 
1 1 1    3    1   25 o  279.733  108.886   0.3849   0.4031   0.4555   0.5879   0.3223   0.5539  306.624  127.126  286.004  121.281 20.61920 175.6989 
1 1 1    3    3    0 o  1174.67   36.210   6.3572   0.3914   6.3552   0.5561   6.3591   0.5510  1173.67   51.491  1174.06   51.000 -0.3884277 72.47307 
1 1 1    3    3    1 o  2011.35   27.565   18.628   0.5102   18.656   0.6088   18.561   0.9349  2012.54   32.874  2005.77   50.655 6.773560 60.38784 
1 1 1    3    3    2 o  1761.33   21.858   14.281   0.3543   14.031   0.4506   14.685   0.5732  1745.57   28.055  1785.31   34.893 -39.74451 44.77233 
1 1 1    3    3    3 o  756.840   24.645   2.6374   0.1716   2.8674   0.2287   2.3411   0.2596  788.964   31.509  711.527   39.814 77.43768 50.77346 
1 1 1    3    3    4 o  2926.22   22.257   39.424   0.5993   39.056   0.8400   39.806   0.8553  2911.50   31.354  2939.28   31.624 -27.78125 44.53202 
1 1 1    3    3    5 o  739.044   27.005   2.5160   0.1836   2.2807   0.2539   2.7739   0.2659  702.053   39.470  775.582   37.256 -73.52893 54.27663 
1 1 1    3    3    6 o  2924.68   24.926   39.395   0.6708   39.838   0.9620   38.976   0.9358  2939.49   35.566  2907.63   34.978 31.86401 49.88431 
1 1 1    3    3    7 o  244.056   56.888   0.2863   0.1254   0.3689   0.1901   0.2228   0.1668  277.185   73.384  222.425   71.681 54.76059 102.5834 
1 1 1    3    3    8 o  572.155   35.519   1.5143   0.1861   1.6272   0.2799   1.4249   0.2491  591.444   51.949  553.475   49.435 37.96899 71.71127 
1 1 1    3    3    9 o  1372.75   33.361   8.6835   0.4214   8.5212   0.6712   8.7891   0.5414  1358.19   53.702  1380.40   42.625 -22.20654 68.56258 
1 1 1    3    3   10 o  960.071   38.483   4.2536   0.3400   4.3325   0.5295   4.1983   0.4434  965.037   59.928  951.399   50.836 13.63794 78.58537 
1 1 1    3    3   11 o  372.643   57.721   0.6607   0.1915   0.4437   0.2777   0.8574   0.2645  304.525   91.635  422.809   70.452 -118.2841 115.5877 
1 1 1    3    3   12 o  861.834   41.788   3.4472   0.3314   3.2724   0.4940   3.5902   0.4469  832.230   65.023  874.882   55.800 -42.65143 85.68331 
1 1 1    3    3   13 f  635.018   43.441   1.8871   0.2523   1.8717   0.3573   1.9025   0.3564  626.721   62.793  632.149   62.071 -5.428650 88.29398 
1 1 1    3    3   14 o  563.191   47.948   1.4977   0.2461   1.9431   0.3664   1.1313   0.3323  636.354   63.410  478.445   78.171 157.9088 100.6559 
1 1 1    3    3   15 o  635.712   46.348   1.9077   0.2693   2.1325   0.3890   1.7009   0.3730  664.768   64.402  590.554   70.013 74.21411 95.12914 
1 1 1    3    3   16 o  582.009   52.796   1.6145   0.2797   1.3695   0.3903   1.8732   0.4010  521.948   84.118  618.598   71.777 -96.64996 110.5789 
1 1 1    3    3   17 o  245.205   87.409   0.2689   0.2487   0.5386   0.3597   0.0217   0.3444  324.654  105.317  218.120   94.121 106.5345 141.2459 
1 1 1    3    3   18 o  1171.35   40.081   6.4105   0.4320   6.5056   0.6188   6.3201   0.6034  1170.62   57.443  1154.19   56.816 16.42554 80.79515 
1 1 1    3    3   19 o  1389.20   40.336   9.0043   0.5156   9.2155   0.7353   8.8000   0.7233  1395.58   57.258  1363.51   57.646 32.07788 81.24963 
1 1 1    3    3   20 o  140.228   68.825  -0.5838   0.3049  -0.9740   0.4670  -0.2938   0.4026  167.230   82.668  198.118   91.994 -30.88739 123.6804 
1 1 1    3    3   21 o  682.314   67.512   2.2412   0.4183   2.6350   0.6107   1.8931   0.5742  726.430   93.529  607.044  106.684 119.3857 141.8772 
1 1 1    3    3   22 o  219.318   95.549  -0.0066   0.3618   0.1212   0.5048  -0.1417   0.5188  270.976  115.377  243.022  109.602 27.95409 159.1367 
1 1 1    3    3   23 o  711.319   89.384   2.5758   0.5721   2.1468   0.7198   3.3121   0.9429  615.990  131.012  759.498  140.085 -143.5075 191.8024 
1 1 1    3    3   24 o  271.552  104.705   0.3322   0.3701   0.2699   0.5271   0.3927   0.5196  283.305  119.124  299.861  121.351 -16.55679 170.0488 
1 1 1    3    3   25 o  309.118  111.460   0.5372   0.4056  -0.1607   0.5816   1.1978   0.5658  238.813  110.776  431.813  130.987 -193.0001 171.5484 
1 1 1    3    5    0 o  229.798   43.534   0.2515   0.0887   0.2867   0.1016   0.1396   0.1815  245.243   46.747  199.075   74.098 46.16780 87.61140 
1 1 1    3    5    1 o  991.475   40.277   4.5316   0.3675   4.2018   0.5048   4.9032   0.5359  951.987   57.905  1028.78   56.830 -76.79010 81.13358 
1 1 1    3    5    2 o  1494.06   25.960   10.279   0.3569   10.211   0.5012   10.349   0.5083  1488.46   36.593  1498.48   36.866 -10.02576 51.94362 
1 1 1    3    5    3 o  1683.54   24.081   13.051   0.3731   12.948   0.4758   13.215   0.6010  1676.44   30.845  1692.98   38.579 -16.53796 49.39407 
1 1 1    3    5    4 f  730.189   25.547   2.4557   0.1716   2.5076   0.2452   2.4057   0.2404  737.480   36.129  721.422   36.329 16.05798 51.23551 
1 1 1    3    5    5 o  722.765   27.501   2.4065   0.1829   2.3779   0.2602   2.4344   0.2571  716.877   39.601  725.468   38.659 -8.590576 55.34236 
1 1 1    3    5    6 o  3552.77   24.957   58.129   0.8159   56.609   1.1217   59.836   1.1889  3504.41   34.786  3602.70   35.863 -98.29614 49.96231 
1 1 1    3    5    7 o  2663.38   26.481   32.667   0.6490   32.688   0.9207   32.645   0.9149  2663.01   37.574  2661.31   37.361 1.701172 52.98780 
1 1 1    3    5    8 o  3094.62   30.013   44.112   0.8547   43.327   1.3350   44.657   1.1125  3064.34   47.345  3112.46   38.845 -48.11914 61.24135 
1 1 1    3    5    9 o  598.165   40.371   1.6579   0.2209   1.3398   0.3090   1.9905   0.3159  534.139   64.150  654.191   52.939 -120.0520 83.17310 
1 1 1    3    5   10 o  2440.98   36.401   27.504   0.8176   27.726   1.1572   27.282   1.1554  2446.85   51.394  2427.08   51.736 19.77222 72.92435 
1 1 1    3    5   11 o  374.013   68.083   0.6748   0.2257   0.6936   0.2930   0.6473   0.3538  375.557   86.571  362.356  101.864 13.20154 133.6818 
1 1 1    3    5   12 o  1413.86   33.030   9.2525   0.4297   9.4728   0.6675   9.0965   0.5616  1424.73   50.912  1398.77   43.633 25.95947 67.05121 
1 1 1    3    5   13 o  610.260   50.927   1.7570   0.2834   2.0519   0.4856   1.6048   0.3489  647.166   83.498  577.841   66.856 69.32434 106.9658 
1 1 1    3    5   14 o  1166.19   37.224   6.3345   0.3994   5.9564   0.6027   6.6305   0.5334  1119.33   58.725  1187.93   48.797 -68.59827 76.35272 
1 1 1    3    5   15 o  313.111   83.177   0.4994   0.2437   0.1833   0.3729   0.7350   0.3220  251.847  102.480  376.590   93.378 -124.7427 138.6423 
1 1 1    3    5   16 o  441.462   67.855   0.9573   0.2668   0.8438   0.4127   1.0388   0.3497  397.392  109.409  451.621   87.313 -54.22849 139.9783 
1 1 1    3    5   17 o  259.345   88.921   0.3173   0.2558   0.4000   0.3771   0.2468   0.3481  294.539  107.284  258.490  101.027 36.04868 147.3648 
1 1 1    3    5   18 o  743.543   51.884   2.6208   0.3528   3.7023   0.5479   1.8552   0.4610  875.225   68.585  609.990   84.394 265.2352 108.7483 
1 1 1    3    5   19 o  330.188   95.600   0.5550   0.3071   0.5299   0.4567   0.5757   0.4150  332.684  118.460  339.037  113.271 -6.352844 163.8998 
1 1 1    3    5   20 f  385.970  102.359   0.7685   0.3695   0.1357   0.5686   1.2309   0.4861  288.588  122.652  485.716  111.160 -197.1284 165.5302 
1 1 1    3    5   21 o  671.573   69.642   2.1803   0.4241   1.5112   0.5612   3.0712   0.6476  534.476  117.328  785.609   91.283 -251.1324 148.6550 
1 1 1    3    5   22 o  255.614  104.451   0.1836   0.3894  -0.0675   0.5044   0.5541   0.6128  247.063  109.997  348.122  134.594 -101.0593 173.8249 
1 1 1    3    5   23 o  290.300  109.639   0.3851   0.4004  -0.0267   0.5750   0.7728   0.5578  261.930  116.968  373.380  131.124 -111.4502 175.7128 
1 1 1    3    5   24 o  320.896  110.698   0.5655   0.3967   0.9659   0.5872   0.2294   0.5381  395.891  134.733  277.899  118.742 117.9918 179.5901 
1 1 1    3    5   25 o  217.288   99.604  -0.1083   0.4508   0.8146   0.8744  -0.4424   0.5261  356.578  151.837  205.024   98.129 151.5537 180.7871 
1 1 1    3    7    0 o  930.285   27.652   3.9861   0.2367   4.0396   0.3356   3.9332   0.3339  935.990   38.968  923.562   39.289 12.42798 55.33633 
1 1 1    3    7    1 f  1467.16   26.794   9.9144   0.3617   9.8181   0.5106   10.011   0.5125  1459.22   38.029  1473.53   37.799 -14.30859 53.61913 
1 1 1    3    7    2 o  2188.84   27.000   22.069   0.5438   20.975   0.7416   23.340   0.7998  2132.74   37.789  2249.64   38.636 -116.8979 54.04448 
1 1 1    3    7    3 o  1550.80   28.620   11.080   0.4084   10.920   0.5733   11.246   0.5820  1538.46   40.496  1561.23   40.510 -22.77649 57.28026 
1 1 1    3    7    4 o  1390.91   30.009   8.9147   0.3841   9.0464   0.5454   8.7850   0.5410  1400.08   42.333  1379.68   42.613 20.40405 60.06589 
1 1 1    3    7    5 o  250.983   55.879   0.3027   0.1257   0.1563   0.1593   0.5441   0.2047  197.472   70.006  336.672   68.404 -139.2003 97.87724 
1 1 1    3    7    6 o  735.007   30.557   2.4887   0.2067   2.2829   0.2917   2.6961   0.2928  701.975   45.404  763.461   41.844 -61.48627 61.74502 
1 1 1    3    7    7 o  1437.76   28.242   9.5203   0.3736   9.2795   0.5248   9.7679   0.5321  1418.71   40.201  1455.60   39.726 -36.89148 56.51735 
1 1 1    3    7    8 o  1923.34   31.496   17.044   0.5574   16.865   0.8856   17.162   0.7174  1911.06   50.359  1929.06   40.414 -17.99268 64.56992 
1 1 1    3    7    9 o  931.131   34.779   3.9990   0.2980   4.5061   0.4437   3.5823   0.4022  987.201   48.841  878.712   49.948 108.4887 69.85918 
1 1 1    3    7   10 o  1488.17   45.703   10.259   0.6258   10.116   0.7520   10.581   1.1288  1475.41   55.392  1497.93   82.208 -22.52161 99.12831 
1 1 1    3    7   11 o  1043.84   36.824   5.0458   0.3537   4.9208   0.4943   5.1769   0.5063  1026.10   52.532  1053.87   52.209 -27.77429 74.06339 
1 1 1    3    7   12 o  957.858   39.824   4.2641   0.3510   4.4675   0.5040   4.0724   0.4891  973.977   56.477  929.381   57.480 44.59589 80.58232 
1 1 1    3    7   13 o  246.745   88.185   0.2651   0.2533   0.3805   0.3898   0.1807   0.3333  295.393  108.852  244.811   97.846 50.58267 146.3650 
1 1 1    3    7   14 o  1021.25   39.038   4.8686   0.3668   4.5883   0.5412   5.1067   0.4989  980.031   60.312  1038.77   52.367 -58.73438 79.87329 
1 1 1    3    7   15 o  975.223   42.126   4.4561   0.3780   4.5941   0.5724   4.3493   0.5035  976.921   64.026  954.464   57.594 22.45703 86.11868 
1 1 1    3    7   16 f  635.745   53.326   1.9265   0.3091   1.6837   0.4659   2.1172   0.4130  575.533   91.000  659.177   69.125 -83.64429 114.2771 
1 1 1    3    7   17 o  269.940   91.900   0.3487   0.2732   0.7642   0.4205   0.0451   0.3594  378.550  112.494  225.761   96.768 152.7889 148.3877 
1 1 1    3    7   18 o  769.987   52.939   2.8117   0.3728   2.4389   0.5484   3.1320   0.5083  699.373   87.100  804.510   69.347 -105.1368 111.3343 
1 1 1    3    7   19 o  781.524   64.852   2.9255   0.4622   2.0598   0.7291   3.5068   0.5975  617.300  132.341  849.327   77.300 -232.0275 153.2627 
1 1 1    3    7   20 o  558.060   71.435   1.5128   0.3584   1.5849   0.5407   1.4562   0.4787  552.886  110.140  533.979  101.128 18.90625 149.5248 
1 1 1    3    7   21 o  847.165   87.725   3.5571   0.6739   5.1818   1.2439   2.8820   0.8018  971.176  143.515  737.728  122.409 233.4477 188.6276 
1 1 1    3    7   22 o  275.744  115.531   0.1884   0.4929   0.9579   1.0245  -0.0434   0.5623  423.430  170.731  261.062  116.191 162.3679 206.5172 
1 1 1    3    7   23 o  477.898  110.621   1.2598   0.4768   1.4255   0.8213   1.1756   0.5856  469.022  159.340  445.816  132.818 23.20612 207.4364 
1 1 1    3    7   24 o  285.743  111.041   0.3954   0.4187   1.1897   0.6594  -0.1413   0.5420  425.423  142.780  236.090  108.591 189.3337 179.3824 
1 1 1    3    9    0 o  668.609   32.372   2.0605   0.1992   1.9579   0.2794   2.1664   0.2840  649.428   47.067  683.499   45.417 -34.07123 65.40623 
1 1 1    3    9    1 o  1680.88   28.819   13.018   0.4457   12.271   0.6147   13.846   0.6473  1630.76   40.964  1732.32   40.611 -101.5588 57.68242 
1 1 1    3    9    2 o  630.222   34.403   1.8365   0.1987   1.8395   0.2818   1.8335   0.2803  629.138   49.073  628.118   48.884 1.019592 69.26615 
1 1 1    3    9    3 o  2136.87   29.343   21.038   0.5770   21.536   0.8262   20.564   0.8061  2160.47   41.557  2111.18   41.496 49.29102 58.72771 
1 1 1    3    9    4 o  494.683   40.503   1.1361   0.1827   1.1444   0.2591   1.1279   0.2578  494.161   58.089  490.501   58.257 3.659882 82.26912 
1 1 1    3    9    5 o  630.547   38.915   1.8399   0.2247   1.8206   0.3178   1.8591   0.3177  625.315   55.819  632.016   55.182 -6.701111 78.49049 
1 1 1    3    9    6 o  1369.08   34.264   8.6370   0.4317   8.5925   0.6154   8.6800   0.6057  1364.46   49.013  1371.48   47.992 -7.017822 68.59671 
1 1 1    3    9    7 o  1287.04   36.249   7.6359   0.4293   7.3886   0.6014   7.8928   0.6130  1264.76   51.675  1307.27   50.960 -42.50793 72.57531 
1 1 1    3    9    8 o  1145.39   34.963   6.0507   0.3685   6.0475   0.4811   6.0553   0.5732  1144.09   45.695  1143.83   54.464 0.2631836 71.09414 
1 1 1    3    9    9 o  1957.44   30.811   17.679   0.5550   17.829   0.7940   17.537   0.7759  1962.78   43.964  1946.77   43.316 16.00903 61.71754 
1 1 1    3    9   10 o  709.019   58.352   2.3635   0.3773   2.5384   0.4552   1.9794   0.6745  732.120   68.362  626.506  121.383 105.6141 139.3101 
1 1 1    3    9   11 o  293.773   74.084   0.4254   0.2002   0.6053   0.2949   0.2715   0.2728  347.953   91.044  254.202   91.435 93.75076 129.0323 
1 1 1    3    9   12 o  1225.72   37.737   6.9869   0.4256   6.4898   0.5898   7.5268   0.6148  1174.48   54.579  1265.74   52.784 -91.25928 75.92773 
1 1 1    3    9   13 o  162.899   73.947  -0.1188   0.2407  -0.1064   0.3746  -0.1276   0.3142  209.809   94.001  188.214   85.050 21.59509 126.7665 
1 1 1    3    9   14 o  203.647   82.580   0.1071   0.2412   0.2075   0.3341  -0.0021   0.3484  247.697   98.297  215.454   93.820 32.24301 135.8840 
1 1 1    3    9   15 f  255.210   88.533   0.3047   0.2539   0.7957   0.3962  -0.0375   0.3308  386.089  107.544  204.879   90.250 181.2101 140.3944 
1 1 1    3    9   16 f  895.391   46.183   3.7802   0.3792   3.4989   0.5776   3.9933   0.5027  844.754   75.091  912.734   60.195 -67.98065 96.23988 
1 1 1    3    9   17 o  553.128   72.444   1.5025   0.3599   1.3555   0.7477   1.5468   0.4105  481.254  151.394  556.241   82.725 -74.98666 172.5215 
1 1 1    3    9   18 o  597.555   70.444   1.7370   0.3799   2.1959   0.6593   1.5089   0.4648  646.531  115.043  543.957   96.390 102.5739 150.0866 
1 1 1    3    9   19 o  570.161   81.445   1.6030   0.4152   2.4876   0.7372   1.1921   0.5024  688.434  120.771  474.924  115.969 213.5097 167.4355 
1 1 1    3    9   20 o  863.364   53.409   3.5244   0.4222   2.9165   0.5992   4.1238   0.5950  768.539   86.221  925.222   70.418 -156.6839 111.3232 
1 1 1    3    9   21 o  531.180  107.362   1.4788   0.5067   1.6018   0.6609   1.3034   0.7892  536.162  134.264  473.317  156.122 62.84515 205.9148 
1 1 1    3    9   22 o  375.239  106.162   0.7576   0.3830   1.2490   0.5701   0.3534   0.5171  468.651  128.399  301.735  121.424 166.9162 176.7203 
1 1 1    3    9   23 o  181.608   86.100  -0.3549   0.3858  -0.1847   0.5530  -0.5163   0.5384  238.033  109.558  208.093   99.512 29.94083 148.0049 
1 1 1    3    9   24 o  445.461  109.054   1.1533   0.4434   2.2988   0.7289   0.4804   0.5587  604.537  134.500  307.698  125.348 296.8399 183.8541 
1 1 1    3   11    0 o  1103.56   32.729   5.6119   0.3323   5.0294   0.4568   6.2668   0.4844  1043.81   47.561  1165.35   45.175 -121.5405 65.59573 
1 1 1    3   11    1 o  1647.89   31.219   12.511   0.4734   12.472   0.6685   12.551   0.6704  1644.13   44.191  1649.34   44.173 -5.211792 62.48264 
1 1 1    3   11    2 o  2318.39   30.482   24.761   0.6503   25.153   0.9264   24.380   0.9130  2335.18   43.111  2299.01   43.160 36.16260 61.00285 
1 1 1    3   11    3 f  2661.75   30.684   32.637   0.7515   33.451   1.0753   31.860   1.0508  2693.06   43.392  2628.23   43.448 64.82959 61.40555 
1 1 1    3   11    4 o  1981.28   36.776   18.093   0.6705   17.483   0.8127   19.391   1.1863  1946.71   45.370  2047.64   62.960 -100.9258 77.60397 
1 1 1    3   11    5 o  2066.34   37.608   19.683   0.7151   19.427   1.2208   19.817   0.8823  2048.92   64.751  2072.30   46.267 -23.38354 79.58238 
1 1 1    3   11    6 o  3097.68   38.508   44.255   1.0976   45.170   1.9367   43.822   1.3322  3121.75   67.423  3080.67   46.997 41.07666 82.18633 
1 1 1    3   11    7 o  772.183   41.913   2.7621   0.2967   2.3194   0.4138   3.2305   0.4256  703.874   64.608  833.224   55.839 -129.3493 85.39425 
1 1 1    3   11    8 o  1129.75   40.308   5.9029   0.4190   5.9338   0.6015   5.8738   0.5841  1128.09   58.144  1122.72   56.720 5.368774 81.22716 
1 1 1    3   11    9 o  992.442   43.562   4.5709   0.3978   4.6061   0.4543   4.4552   0.8238  994.981   49.620  960.593   94.418 34.38843 106.6626 
1 1 1    3   11   10 o  769.626   49.153   2.7746   0.3463   2.9545   0.4811   2.5812   0.4988  788.423   66.943  733.561   74.954 54.86182 100.4961 
1 1 1    3   11   11 o  672.828   49.125   2.1308   0.3020   2.2825   0.3967   1.9216   0.4659  691.586   63.029  625.852   82.944 65.73431 104.1747 
1 1 1    3   11   12 o  933.777   69.710   4.2072   0.5946   5.5066   0.9270   3.2987   0.7751  1046.86   97.350  800.862  107.935 245.9953 145.3510 
1 1 1    3   11   13 o  571.633   66.524   1.5895   0.3434   2.0245   0.7340   1.4676   0.3885  600.276  136.031  542.504   80.247 57.77155 157.9364 
1 1 1    3   11   14 o  907.785   44.650   3.8729   0.3730   4.5878   0.5538   3.2797   0.5045  976.862   61.936  822.137   67.279 154.7246 91.44663 
1 1 1    3   11   15 o  729.228   53.363   2.5336   0.3556   2.0187   0.4757   3.1854   0.5353  634.883   83.454  806.638   72.904 -171.7551 110.8132 
1 1 1    3   11   16 o  684.751   56.112   2.2419   0.3504   2.2187   0.4988   2.2644   0.4925  666.675   83.116  674.927   80.911 -8.251282 115.9948 
1 1 1    3   11   17 o  379.229   91.454   0.7412   0.3154   0.8522   0.4769   0.6550   0.4205  397.644  120.174  354.229  113.770 43.41492 165.4854 
1 1 1    3   11   18 o  251.081  100.824   0.1900   0.3557   0.1243   0.6076   0.2243   0.4387  292.858  125.681  274.349  111.338 18.50891 167.9044 
1 1 1    3   11   19 o  570.820   69.690   1.5800   0.3584   0.9031   0.5135   2.2232   0.5006  411.686  124.764  671.989   82.696 -260.3037 149.6820 
1 1 1    3   11   20 o  191.959   86.606  -0.1250   0.3243   0.2063   0.5052  -0.3572   0.4230  283.589  117.728  196.960   92.378 86.62862 149.6451 
1 1 1    3   11   21 o  641.588   98.816   2.1225   0.5647   1.7267   0.7132   2.7875   0.9244  547.738  140.742  692.742  149.409 -145.0040 205.2593 
1 1 1    3   11   22 o  321.586  107.292   0.5472   0.3723   1.6580   0.5793  -0.2346   0.4860  544.183  119.007  220.812  102.015 323.3714 156.7474 
1 1 1    3   11   23 o  357.489  113.255   0.7386   0.4178   0.4059   0.5968   1.0585   0.5851  305.728  127.529  410.352  134.389 -104.6234 185.2672 
1 1 1    3   11   24 o  190.605   90.222  -0.3048   0.4203   0.0810   0.6411  -0.5955   0.5566  266.332  120.814  200.338   97.137 65.99428 155.0217 
1 1 1    3   13    0 o  890.772   37.366   3.6575   0.3063   3.7381   0.4451   3.5851   0.4221  897.988   54.114  879.562   52.395 18.42645 75.32288 
1 1 1    3   13    1 o  2438.58   32.405   27.399   0.7271   27.190   1.0270   27.609   1.0296  2427.50   45.979  2446.18   45.743 -18.67773 64.85715 
1 1 1    3   13    2 o  2798.05   32.163   36.073   0.8281   35.657   1.1605   36.505   1.1820  2779.84   45.370  2812.67   45.669 -32.82813 64.37477 
1 1 1    3   13    3 o  295.844   68.924   0.4218   0.1841   0.5005   0.2552   0.3362   0.2660  322.293   84.874  274.845   90.637 47.44833 124.1717 
1 1 1    3   13    4 o  1585.53   39.558   11.597   0.5771   12.016   0.9769   11.372   0.7153  1610.08   65.938  1568.89   49.549 41.19641 82.47971 
1 1 1    3   13    5 o  942.799   39.950   4.1037   0.3466   4.1883   0.4971   4.0237   0.4835  949.063   57.190  930.232   56.752 18.83154 80.56939 
1 1 1    3   13    6 o  548.885   50.365   1.4076   0.2515   1.5568   0.3552   1.2576   0.3562  573.942   68.620  512.893   77.938 61.04889 103.8415 
1 1 1    3   13    7 o  1065.54   45.619   5.2655   0.4473   4.6195   0.7223   5.6674   0.5696  986.840   80.240  1101.76   56.377 -114.9145 98.06547 
1 1 1    3   13    8 o  972.905   61.644   4.4553   0.5490   4.3909   0.7332   4.5375   0.8283  956.633   84.146  967.637   94.226 -11.00470 126.3291 
1 1 1    3   13    9 o  1472.15   46.364   10.106   0.6281   10.171   1.0725   10.072   0.7748  1455.64   80.381  1464.41   57.501 -8.773926 98.82990 
1 1 1    3   13   10 o  429.393   75.291   0.9079   0.2866   1.0861   0.4349   0.7710   0.3812  458.568  105.282  386.483  104.619 72.08441 148.4231 
1 1 1    3   13   11 o  1015.84   42.997   4.8287   0.4019   4.1798   0.4969   6.0561   0.6834  937.141   57.910  1122.95   66.435 -185.8099 88.13163 
1 1 1    3   13   12 o  862.067   63.461   3.5793   0.4999   4.2460   0.6364   2.5052   0.8077  931.335   74.889  669.186  135.815 262.1489 155.0937 
1 1 1    3   13   13 f  827.394   50.678   3.2500   0.3840   3.6042   0.5041   2.7602   0.5927  863.801   63.870  739.072   88.934 124.7283 109.4923 
1 1 1    3   13   14 o  375.984   91.068   0.7351   0.3117   0.9089   0.4171   0.5150   0.4692  410.839  108.655  325.110  119.480 85.72827 161.4976 
1 1 1    3   13   15 o  606.482   66.180   1.7903   0.3633   1.5453   0.4584   2.2043   0.5959  548.067   94.297  650.505  102.982 -102.4378 139.6323 
1 1 1    3   13   16 o  777.704   53.740   2.8780   0.3822   2.5276   0.5375   3.2365   0.5437  712.151   83.607  813.638   73.407 -101.4865 111.2599 
1 1 1    3   13   17 o  1088.14   48.214   5.5654   0.4828   4.6065   0.6700   6.6009   0.6962  972.720   75.444  1173.56   64.720 -200.8397 99.40083 
1 1 1    3   13   18 o  451.609   98.294   1.0486   0.3969   1.1058   0.6760   1.0185   0.4902  447.433  144.302  436.832  118.817 10.60077 186.9240 
1 1 1    3   13   19 o  205.963   89.844  -0.0196   0.3208   0.5316   0.4930  -0.4242   0.4225  335.427  122.592  190.922   90.395 144.5045 152.3157 
1 1 1    3   13   20 o  780.494   68.015   2.9524   0.4836   2.8168   0.6782   3.0926   0.6897  739.532  102.412  778.286   98.518 -38.75336 142.1054 
1 1 1    3   13   21 o  847.142   71.932   3.5314   0.5554   5.0597   0.8801   2.5199   0.7160  988.851   98.019  678.088  119.095 310.7628 154.2446 
1 1 1    3   13   22 o  286.047  106.440   0.4021   0.3745   0.7812   0.5737   0.1206   0.4944  365.785  132.464  258.445  112.146 107.3398 173.5608 
1 1 1    3   13   23 o  327.374  124.460   0.6269   0.5181   0.6594   0.8440   0.6073   0.6563  342.032  147.471  328.751  135.110 13.28128 200.0062 
1 1 1    3   15    0 o  730.016   43.922   2.4706   0.2937   2.8872   0.4339   2.1184   0.3989  786.908   60.379  672.470   65.295 114.4374 88.93291 
1 1 1    3   15    1 o  1545.13   40.832   11.025   0.5805   11.599   0.9921   10.725   0.7159  1579.70   68.254  1522.43   51.102 57.26978 85.26464 
1 1 1    3   15    2 o  2658.89   38.757   32.645   0.9482   30.431   1.5402   33.997   1.2033  2558.52   65.423  2710.67   48.242 -152.1514 81.28652 
1 1 1    3   15    3 o  1660.77   51.042   12.782   0.7800   0.0000   0.0000   12.782   0.7800  ?   ?   1660.77   51.042 0.000000 51.04158 
1 1 1    3   15    4 o  737.244   51.364   2.5346   0.3463   2.5983   0.5830   2.4999   0.4304  737.330   87.639  729.272   64.819 8.057434 109.0052 
1 1 1    3   15    5 o  1296.92   38.645   7.7860   0.4612   7.4926   0.6373   8.1086   0.6682  1268.41   54.603  1319.39   55.041 -50.97986 77.53049 
1 1 1    3   15    6 o  846.701   50.319   3.3519   0.3903   3.4084   0.4761   3.2363   0.6813  850.597   61.244  816.794   92.266 33.80267 110.7420 
1 1 1    3   15    7 o  134.069   64.492  -0.3375   0.2337  -0.3933   0.2709  -0.1751   0.4623  143.833   69.250  229.966  103.610 -86.13316 124.6225 
1 1 1    3   15    8 o  1124.15   50.609   5.9211   0.5235   6.2268   0.9566   5.7905   0.6255  1125.62   93.199  1105.23   61.748 20.38733 111.7980 
1 1 1    3   15    9 o  487.551   73.999   1.1666   0.3216   1.7058   0.5624   0.9046   0.3919  572.367  110.779  417.330  102.752 155.0373 151.0959 
1 1 1    3   15   10 o  659.804   60.176   2.0893   0.3613   2.6544   0.5303   1.5996   0.4936  733.432   79.869  556.680  100.048 176.7516 128.0185 
1 1 1    3   15   11 o  290.235   95.938   0.4200   0.2979   0.3308   0.4163   0.5136   0.4266  285.038  110.733  321.763  114.496 -36.72528 159.2836 
1 1 1    3   15   12 o  775.057   64.711   2.9124   0.4573   2.8813   0.5776   2.9645   0.7486  757.839   84.252  745.992  112.558 11.84656 140.5972 
1 1 1    3   15   13 o  815.149   52.740   3.1659   0.3935   3.1384   0.5004   3.2104   0.6368  802.305   68.438  797.067   88.311 5.237976 111.7256 
1 1 1    3   15   14 o  244.648   94.141   0.2332   0.2987  -0.0368   0.3690   0.7462   0.5086  215.340   95.064  371.437  125.395 -156.0970 157.3566 
1 1 1    3   15   15 o  432.793   88.906   0.9620   0.3422   0.6405   0.4154   1.6410   0.6037  348.793  113.183  546.334  123.043 -197.5413 167.1826 
1 1 1    3   15   16 o  486.443   81.292   1.1838   0.3510   1.0988   0.4615   1.3005   0.5408  453.830  111.345  489.194  120.839 -35.36484 164.3159 
1 1 1    3   15   17 o  1167.28   60.689   6.4902   0.6496   7.4723   0.9852   5.7346   0.8641  1230.56   87.575  1077.07   87.953 153.4865 124.1175 
1 1 1    3   15   18 o  306.437  107.488   0.4477   0.3748   0.6085   0.4831   0.2045   0.5941  349.050  122.053  299.425  126.214 49.62442 175.5758 
1 1 1    3   15   19 o  1003.38   61.827   4.8243   0.5681   4.1074   0.7028   6.1751   0.9647  909.612   84.953  1106.11   95.728 -196.4979 127.9878 
1 1 1    3   15   20 f  501.062  102.753   1.3319   0.4579   1.6212   0.6365   1.0217   0.6591  533.480  130.691  419.534  142.739 113.9457 193.5316 
1 1 1    3   15   21 o  641.025   93.119   2.1563   0.5332   3.3884   0.8617   1.3918   0.6787  769.813  126.007  471.595  143.551 298.2185 191.0094 
1 1 1    3   15   22 o  238.942  101.576   0.1505   0.3901  -0.2311   0.6272   0.3914   0.4982  242.295  113.274  290.683  118.390 -48.38786 163.8513 
1 1 1    3   15   23 o  595.197  119.984   2.1807   0.6344   1.1449   0.8431   3.5329   0.9633  382.626  154.670  708.514  152.289 -325.8880 217.0597 
1 1 1    3   17    0 o  1186.87   42.116   6.5309   0.4600   6.5668   0.6702   6.4990   0.6324  1183.41   61.762  1179.86   58.248 3.552368 84.89658 
1 1 1    3   17    1 o  884.506   44.701   3.6410   0.3626   3.6201   0.5151   3.6615   0.5106  876.661   64.304  881.979   63.338 -5.318542 90.25947 
1 1 1    3   17    2 o  367.872   77.392   0.6632   0.2537   0.6552   0.3667   0.6705   0.3513  363.090  104.261  366.821  100.920 -3.731598 145.1040 
1 1 1    3   17    3 o  1039.98   42.564   5.0237   0.4073   5.2464   0.5824   4.8104   0.5699  1056.18   60.172  1010.68   61.573 45.50519 86.09200 
1 1 1    3   17    4 o  1149.38   41.224   6.1387   0.4360   6.2559   0.6126   6.0184   0.6206  1154.86   57.651  1130.40   59.879 24.45410 83.12094 
1 1 1    3   17    5 o  540.169   67.985   1.4028   0.3304   1.3714   0.3943   1.4769   0.6056  528.257   83.920  530.156  126.004 -1.898865 151.3924 
1 1 1    3   17    6 o  1120.85   43.365   5.8619   0.4473   6.7196   0.6465   5.0746   0.6194  1193.03   58.888  1031.76   65.586 161.2765 88.14330 
1 1 1    3   17    7 o  568.235   58.512   1.5439   0.3016   1.4057   0.4117   1.7040   0.4430  529.931   87.472  585.904   84.630 -55.97284 121.7116 
1 1 1    3   17    8 f  561.826   71.751   1.5454   0.3625   1.8645   0.5873   1.3491   0.4607  595.003  111.356  509.455  101.831 85.54730 150.8959 
1 1 1    3   17    9 o  163.201   75.106  -0.1636   0.2598   0.2254   0.3680  -0.5497   0.3667  257.409  102.844  162.373   78.756 95.03674 129.5354 
1 1 1    3   17   10 o  494.779   78.037   1.2278   0.3435   1.6078   0.4932   0.8697   0.4787  553.895  100.460  396.694  120.519 157.2016 156.8977 
1 1 1    3   17   11 o  227.959   94.744   0.1183   0.3277  -0.1731   0.4315   0.5156   0.5038  215.078   98.159  326.596  123.070 -111.5186 157.4212 
1 1 1    3   17   12 o  951.074   55.824   4.3269   0.4864   5.2786   0.7160   3.5112   0.6628  1034.65   75.729  833.399   87.754 201.2512 115.9125 
1 1 1    3   17   13 o  185.305   84.699  -0.1591   0.3228  -0.2425   0.4428  -0.0645   0.4715  211.134   97.485  237.449  105.988 -26.31438 144.0023 
1 1 1    3   17   14 o  697.788   63.213   2.3558   0.4015   2.2156   0.5023   2.6039   0.6681  664.414   84.032  704.467  106.383 -40.05261 135.5679 
1 1 1    3   17   15 o  246.821   95.664   0.2270   0.3102   0.0423   0.3943   0.5269   0.5024  234.262  100.900  332.480  123.362 -98.21808 159.3709 
1 1 1    3   17   16 o  338.591  111.794   0.5831   0.4046   1.3854   0.6482   0.0710   0.5179  497.674  137.154  267.646  115.459 230.0280 179.2821 
1 1 1    3   17   17 o  913.872   59.440   3.9832   0.4971   4.3677   0.6480   3.4332   0.7750  947.491   74.937  818.141  105.394 129.3500 129.3192 
1 1 1    3   17   18 o  716.416   72.459   2.5074   0.4711   3.0469   0.6266   1.8059   0.7145  779.405   88.957  564.635  138.564 214.7696 164.6612 
1 1 1    3   17   19 o  247.076  107.263   0.0509   0.4527   0.2880   0.5002  -1.0226   1.0644  289.380  118.326  280.225  135.496 9.155121 179.8893 
1 1 1    3   17   20 f  409.300  115.975   0.9524   0.4567   1.3373   0.5926   0.3894   0.7168  473.957  131.343  323.358  137.575 150.5986 190.2048 
1 1 1    3   17   21 o  790.430   86.879   3.2872   0.6215   4.4854   0.8836   2.1140   0.8743  892.642  109.890  542.508  162.430 350.1342 196.1106 
1 1 1    3   17   22 o  173.711   85.148  -0.6686   0.4619  -0.8765   0.6277  -0.4232   0.6820  197.870   97.438  232.293  111.327 -34.42329 147.9453 
1 1 1    3   19    0 o  684.238   54.226   2.2124   0.3386   1.9984   0.4613   2.4624   0.4986  640.179   80.068  712.805   77.250 -72.62689 111.2585 
1 1 1    3   19    1 o  672.786   53.112   2.1382   0.3261   2.2857   0.4594   1.9883   0.4631  687.719   73.746  637.941   80.688 49.77844 109.3115 
1 1 1    3   19    2 o  412.318   84.530   0.8512   0.3099   0.6934   0.3748   1.1925   0.5511  367.337  105.396  472.805  124.832 -105.4679 163.3749 
1 1 1    3   19    3 o  540.850   74.767   1.4299   0.3621   1.6345   0.4553   1.0776   0.5975  572.099   89.415  445.526  134.481 126.5730 161.4930 
1 1 1    3   19    4 o  1060.21   51.863   5.2945   0.5060   5.6672   0.6244   4.5820   0.8634  1089.56   62.542  952.910   99.958 136.6462 117.9113 
1 1 1    3   19    5 o  581.523   61.085   1.6272   0.3220   1.3807   0.4389   1.9145   0.4739  519.321   95.351  619.161   85.448 -99.84015 128.0354 
1 1 1    3   19    6 o  234.292   95.189   0.1541   0.3211   0.8976   0.5524  -0.2255   0.3946  403.596  130.468  200.576   92.404 203.0204 159.8760 
1 1 1    3   19    7 o  209.924   90.609   0.0212   0.3193   0.2728   0.4964  -0.1563   0.4170  287.538  117.760  213.704   97.133 73.83427 152.6510 
1 1 1    3   19    8 o  775.266   56.376   2.8827   0.3994   2.3416   0.5418   3.5268   0.5911  678.193   88.967  843.618   77.001 -165.4252 117.6616 
1 1 1    3   19    9 o  705.049   60.270   2.4030   0.3873   2.0922   0.5242   2.7765   0.5745  637.802   91.981  740.675   85.896 -102.8733 125.8512 
1 1 1    3   19   10 o  277.438  102.109   0.3555   0.3429   0.4382   0.4154   0.1788   0.6074  302.889  112.221  290.822  125.248 12.06674 168.1682 
1 1 1    3   19   11 o  677.322   73.342   2.2689   0.4498   1.9820   0.5492   2.8533   0.7838  614.531  100.614  719.389  122.813 -104.8575 158.7651 
1 1 1    3   19   12 o  1384.16   51.847   9.0961   0.6604   9.6397   0.9634   8.6143   0.9069  1399.79   75.067  1323.40   74.783 76.39380 105.9603 
1 1 1    3   19   13 o  579.773   78.658   1.6774   0.4088   1.8887   0.5770   1.4645   0.5792  595.734  109.292  512.832  124.089 82.90179 165.3562 
1 1 1    3   19   14 o  558.945   83.362   1.5663   0.4156   1.3137   0.5548   1.8892   0.6274  488.473  123.401  591.452  119.401 -102.9794 171.7104 
1 1 1    3   19   15 o  626.281   83.943   1.9528   0.4716   2.3837   0.6852   1.5650   0.6500  672.445  114.862  530.363  133.335 142.0818 175.9873 
1 1 1    3   19   16 o  209.089   91.738  -0.0307   0.3388  -0.0441   0.4688  -0.0160   0.4901  241.865  106.944  250.199  110.045 -8.333923 153.4497 
1 1 1    3   19   17 o  314.571  109.425   0.4907   0.3881   0.6986   0.5032   0.1856   0.6095  363.908  124.720  296.120  126.446 67.78818 177.6050 
1 1 1    3   19   18 o  583.020  100.174   1.7840   0.5180   1.7964   0.5717   1.7267   1.2250  576.674  111.769  496.723  190.773 79.95056 221.1038 
1 1 1    3   19   19 o  248.419  104.160   0.1641   0.4011  -0.0609   0.4855   0.6483   0.7121  236.743  106.468  353.435  142.400 -116.6927 177.8007 
1 1 1    3   19   20 o  271.641  115.113   0.2509   0.4984   0.7073   0.7069  -0.2002   0.7028  348.533  141.369  257.982  120.373 90.55167 185.6743 
1 1 1    3   19   21 o  634.891   99.370   2.2815   0.5615   2.8426   0.7523   1.5757   0.8437  673.723  125.978  439.494  160.407 234.2288 203.9627 
1 1 1    3   21    0 o  914.845   76.557   4.1099   0.6385   5.0462   1.0008   3.4671   0.8292  979.800  113.086  809.569  114.512 170.2310 160.9391 
1 1 1    3   21    1 o  311.073  116.052   0.4480   0.4458   0.3813   0.6712   0.5006   0.5963  328.555  135.995  336.162  131.975 -7.606995 189.5051 
1 1 1    3   21    2 o  876.459   64.119   3.7099   0.5135   5.1940   0.9664   3.1259   0.6062  998.450  106.841  790.435   84.663 208.0142 136.3186 
1 1 1    3   21    3 o  307.274  103.453   0.4778   0.3462   0.9004   0.5840   0.2488   0.4299  400.737  134.367  272.246  110.304 128.4914 173.8428 
1 1 1    3   21    4 o  417.379   99.601   0.9248   0.3772   0.7059   0.5934   1.0733   0.4886  365.116  134.337  439.935  118.183 -74.81937 178.9232 
1 1 1    3   21    5 o  492.762   93.207   1.2641   0.4071   1.3041   0.6438   1.2374   0.5256  469.968  139.084  469.892  120.868 0.7513428E-01 184.2646 
1 1 1    3   21    6 o  444.851   88.644   1.0263   0.3501   1.1729   0.4910   0.8746   0.4994  459.416  116.096  394.064  123.685 65.35257 169.6355 
1 1 1    3   21    7 o  460.816   83.823   1.0883   0.3423   1.2855   0.4805   0.8849   0.4878  485.195  110.146  396.394  121.896 88.80112 164.2880 
1 1 1    3   21    8 o  202.922   88.038   0.0121   0.3046   0.0298   0.4321  -0.0053   0.4294  238.295  104.099  233.143  102.756 5.151688 146.2717 
1 1 1    3   21    9 o  436.154   97.354   1.0096   0.3808   1.5773   0.4888   0.1334   0.6073  545.500  101.112  284.680  123.915 260.8196 159.9332 
1 1 1    3   21   10 o  443.535  107.767   1.0697   0.4355   0.7091   0.5390   1.7481   0.7392  361.577  128.691  538.575  145.649 -176.9987 194.3577 
1 1 1    3   21   11 o  542.830   86.175   1.5028   0.4161   1.7423   0.5644   1.2176   0.6158  567.422  112.068  456.625  136.225 110.7975 176.3983 
1 1 1    3   21   12 o  533.981   90.930   1.4626   0.4308   0.7793   0.5902   2.2418   0.6302  379.058  134.694  650.122  109.216 -271.0641 173.4093 
1 1 1    3   21   13 o  361.162  111.948   0.6911   0.4105   0.4026   0.5920   0.9585   0.5699  322.215  129.829  415.329  132.339 -93.11450 185.3891 
1 1 1    3   21   14 o  629.139  100.399   2.0371   0.5617   2.7155   1.1983   1.8461   0.6359  644.406  189.483  583.856  122.275 60.54993 225.5102 
1 1 1    3   21   15 o  557.048  110.425   1.6438   0.5460   2.8263   1.1507   1.3001   0.6203  664.037  182.627  479.615  134.897 184.4221 227.0457 
1 1 1    3   21   16 o  784.728   76.889   3.0425   0.5481   2.6575   0.7398   3.5107   0.8160  701.306  118.887  814.182  111.869 -112.8763 163.2442 
1 1 1    3   21   17 o  314.466  119.980   0.4707   0.4825   0.4089   0.5313   0.7618   1.1532  309.543  123.603  397.703  171.925 -88.16086 211.7451 
1 1 1    3   21   18 o  159.362   78.087  -0.6473   0.3874  -0.0501   0.5073  -1.4835   0.6002  241.382  108.665  172.381   86.523 69.00092 138.9039 
1 1 1    3   21   19 o  512.213  109.084   1.5071   0.4984   1.8753   0.6403   0.9413   0.7937  551.610  128.539  375.911  150.733 175.6989 198.0980 
1 1 1    3   21   20 o  646.692  109.313   2.4705   0.6273   3.0776   0.8609   1.7834   0.9159  670.608  143.824  452.254  166.818 218.3540 220.2584 
1 1 1    3   23    0 o  244.359  100.221   0.1762   0.3602   0.0531   0.5188   0.2907   0.5004  259.308  113.655  287.578  118.061 -28.27029 163.8774 
1 1 1    3   23    1 o  254.015  106.109   0.1689   0.4140  -0.2786   0.6904   0.4202   0.5174  260.188  120.692  309.441  122.470 -49.25323 171.9464 
1 1 1    3   23    2 o  388.833  116.515   0.8445   0.4497   1.1179   0.7421   0.6858   0.5654  427.794  151.138  356.691  131.143 71.10281 200.1026 
1 1 1    3   23    3 o  340.410  107.800   0.6251   0.3786   0.3798   0.5203   0.9012   0.5519  303.112  121.862  395.717  130.557 -92.60443 178.5934 
1 1 1    3   23    4 o  199.757   88.980  -0.0577   0.3305  -0.0077   0.4690  -0.1070   0.4658  241.241  106.801  229.167  103.558 12.07408 148.7642 
1 1 1    3   23    5 o  208.820   90.784   0.0148   0.3252   0.0042   0.4233   0.0301   0.5080  232.321  102.223  253.823  111.822 -21.50203 151.5047 
1 1 1    3   23    6 f  523.139   81.244   1.3914   0.3784   1.6419   0.5283   1.1274   0.5423  550.371  108.167  441.659  126.787 108.7116 166.6586 
1 1 1    3   23    7 o  523.434   81.584   1.3935   0.3801   2.0063   0.5463   0.8180   0.5293  616.621   99.678  380.161  127.924 236.4595 162.1732 
1 1 1    3   23    8 o  306.821  110.878   0.4700   0.4017   0.4586   0.4896   0.4934   0.7023  312.766  120.485  338.701  139.551 -25.93414 184.3668 
1 1 1    3   23    9 o  626.120   78.758   1.9664   0.4437   2.0855   0.5920   1.8139   0.6702  624.749  106.821  561.184  132.005 63.56439 169.8114 
1 1 1    3   23   10 o  781.552   69.271   2.9895   0.4930   3.7623   0.7080   2.2620   0.6869  859.679   90.877  641.707  120.765 217.9722 151.1380 
1 1 1    3   23   11 o  218.116   95.222  -0.0024   0.3610  -0.3640   0.4788   0.4737   0.5494  209.773   98.356  325.958  127.050 -116.1855 160.6723 
1 1 1    3   23   12 o  371.533  108.745   0.7346   0.3955   1.4001   0.5801   0.1565   0.5406  502.727  125.720  280.594  119.434 222.1329 173.4068 
1 1 1    3   23   13 o  790.975   88.213   3.1409   0.6311   4.0550   1.2484   2.8270   0.7314  814.513  171.965  732.038  112.163 82.47467 205.3106 
1 1 1    3   23   14 o  419.995  132.595   0.9952   0.5731   0.2400   1.0616   1.3059   0.6808  357.965  159.460  472.109  143.786 -114.1438 214.7140 
1 1 1    3   23   15 o  246.654  105.367   0.0991   0.4235  -0.5201   0.5857   0.7779   0.6132  221.986  105.487  376.530  136.857 -154.5443 172.7928 
1 1 1    3   23   16 o  793.555  104.372   3.3694   0.7436   3.1957   0.8563   3.9023   1.4996  746.211  129.406  691.279  213.904 54.93237 250.0021 
1 1 1    3   23   17 o  315.219  125.642   0.4978   0.5481   1.4234   0.7188  -0.7872   0.8470  462.238  148.776  247.357  119.909 214.8815 191.0817 
1 1 1    3   23   18 o  317.071  122.658   0.5770   0.5091   0.6518   0.6038   0.3928   0.9472  331.071  131.901  321.862  146.328 9.208466 197.0020 
1 1 1    3   23   19 o  215.577   99.805  -0.1107   0.4688   0.7880   0.6392  -1.1564   0.6896  337.684  135.316  194.253   96.773 143.4308 166.3594 
1 1 1    3   23   20 o  508.205  168.026   2.3972   0.9139   1.1688   1.1053   5.0528   1.6251  348.286  158.236  576.662  220.141 -228.3762 271.1099 
1 1 1    3   25    0 o  332.732  117.938   0.5876   0.4522   0.5582   0.5441   0.6532   0.8131  332.796  127.304  364.272  150.124 -31.47580 196.8340 
1 1 1    3   25    1 o  542.270   88.081   1.5202   0.4244   1.6880   0.5830   1.3309   0.6191  548.544  118.921  472.329  135.437 76.21512 180.2373 
1 1 1    3   25    2 o  554.326   98.617   1.6292   0.4846   1.5319   0.5842   1.8439   0.8676  517.257  124.287  529.797  162.499 -12.54016 204.5798 
1 1 1    3   25    3 o  486.583  101.292   1.2718   0.4388   1.5783   0.6050   0.9317   0.6373  522.989  126.990  397.660  140.109 125.3293 189.0947 
1 1 1    3   25    4 o  239.821  105.157   0.0280   0.4445  -0.0259   0.5425   0.1381   0.7755  253.945  113.494  307.458  136.668 -53.51277 177.6485 
1 1 1    3   25    5 o  502.206  135.593   1.4981   0.6412   3.0510   1.0116   0.4549   0.8291  694.192  161.422  344.420  147.284 349.7718 218.5169 
1 1 1    3   25    6 o  334.168  130.007   0.5463   0.5745   0.4230   0.8435   0.6529   0.7846  343.499  147.766  363.888  148.426 -20.38873 209.4397 
1 1 1    3   25    7 o  453.005  136.024   1.2100   0.6125   1.7589   1.0026   0.8832   0.7736  508.427  175.946  394.782  151.606 113.6449 232.2526 
1 1 1    3   25    8 o  833.612   67.069   3.3893   0.5101   2.9994   0.6739   3.9125   0.7806  759.709   98.736  867.888   99.548 -108.1787 140.2088 
1 1 1    3   25    9 o  178.198   84.576  -0.3822   0.3742  -0.3849   0.4949  -0.3784   0.5719  211.711   99.498  230.698  107.951 -18.98671 146.8099 
1 1 1    3   25   10 o  606.271   88.853   1.8652   0.4810   1.2679   0.6438   2.6197   0.7236  468.306  139.193  698.761  116.652 -230.4549 181.6102 
1 1 1    3   25   11 o  349.004  110.765   0.6443   0.3995   0.4668   0.5214   0.8965   0.6217  322.033  124.257  401.225  138.564 -79.19269 186.1174 
1 1 1    3   25   12 o  450.455  144.313   1.1933   0.6770   1.1535   1.1354   1.2153   0.8433  442.078  179.211  448.151  160.814 -6.072662 240.7861 
1 1 1    3   25   13 o  453.491  131.204   1.1893   0.5787   0.5860   0.7516   2.0679   0.9070  356.466  145.319  568.443  164.194 -211.9776 219.2651 
1 1 1    3   25   14 o  808.422   80.694   3.2993   0.5922   2.4627   0.7896   4.3750   0.8954  646.459  137.002  899.069  110.566 -252.6099 176.0522 
1 1 1    3   25   15 o  608.832  140.097   2.2865   0.7686   3.1054   0.9960   1.0815   1.2082  684.796  160.814  405.910  175.726 278.8862 238.2029 
1 1 1    3   25   16 o  386.960  139.425   0.9861   0.6345   0.9031   0.7192   1.2775   1.3476  371.299  145.178  400.799  179.018 -29.50006 230.4866 
1 1 1    3   25   17 o  386.434  129.656   1.0085   0.5437   1.7786   0.7497   0.1537   0.7898  486.749  151.342  284.326  130.891 202.4238 200.0918 
1 1 1    3   25   18 o  263.008  116.368   0.2586   0.5560   1.6419   0.8577  -0.7437   0.7301  421.798  160.190  215.652  105.977 206.1460 192.0725 
1 1 1    3   27    0 o  675.350   83.177   2.3137   0.5060   1.9351   0.6805   2.7817   0.7566  578.811  130.851  708.092  120.427 -129.2810 177.8330 
1 1 1    3   27    1 o  675.697   88.192   2.3414   0.5353   1.6541   0.7198   3.1918   0.8006  520.726  144.908  761.756  118.038 -241.0303 186.8993 
1 1 1    3   27    2 o  980.244   78.694   4.8022   0.7038   5.5359   0.8537   3.2446   1.2438  1040.34   90.063  674.280  191.498 366.0615 211.6197 
1 1 1    3   27    3 o  374.799  118.253   0.7816   0.4559   0.6438   0.5976   0.9735   0.7050  351.632  133.674  406.237  146.883 -54.60526 198.6032 
1 1 1    3   27    4 o  187.721   88.760  -0.3672   0.4047  -0.6888   0.5589  -0.0125   0.5869  203.813   98.461  265.331  118.353 -61.51787 153.9546 
1 1 1    3   27    5 o  324.866  117.879   0.5336   0.4547   0.2534   0.5903   0.9424   0.7129  297.144  125.560  404.144  147.463 -107.0003 193.6765 
1 1 1    3   27    6 o  778.974   86.164   3.0628   0.6073   2.9967   0.7166   3.2314   1.1440  753.946  106.233  707.065  176.406 46.88068 205.9237 
1 1 1    3   27    7 o  629.818   90.739   2.0264   0.5107   1.2539   0.6466   3.3076   0.8327  463.038  139.920  781.146  119.659 -318.1080 184.1083 
1 1 1    3   27    8 o  577.821  105.524   1.7669   0.5404   1.1438   0.6187   3.7705   1.1095  444.551  137.372  793.777  157.464 -349.2257 208.9644 
1 1 1    3   27    9 o  1259.25   68.921   7.7189   0.7956   7.1309   0.9407   9.1958   1.4908  1191.83   86.364  1294.69  126.767 -102.8644 153.3900 
1 1 1    3   27   10 o  290.991  122.999   0.2319   0.5667   1.0640   1.1210  -0.0539   0.6569  427.463  176.233  274.882  123.709 152.5812 215.3185 
1 1 1    3   27   11 o  693.627  107.795   2.5807   0.6657   2.6167   1.2625   2.5669   0.7834  588.279  197.568  668.943  131.957 -80.66449 237.5835 
1 1 1    3   27   12 o  1013.02   73.415   5.1064   0.6797   6.1892   0.9939   4.1552   0.9316  1080.54  101.137  861.084  120.906 219.4525 157.6293 
1 1 1    3   27   13 o  290.771  115.185   0.3894   0.4580  -0.2474   0.6010   1.2715   0.7074  239.980  111.751  439.629  147.883 -199.6487 185.3587 
1 1 1    3   27   14 o  505.992  139.930   1.6782   0.6734   1.5838   0.7763   1.9649   1.3534  469.782  154.837  453.098  190.719 16.68463 245.6585 
1 1 1    3   27   15 o  230.793  105.326  -0.0383   0.4967   0.8321   0.6578  -1.1926   0.7576  350.933  138.352  206.762  102.745 144.1703 172.3304 
1 1 1    3   27   16 o  322.181  127.162   0.7003   0.5563   1.1991   0.7591   0.1217   0.8176  379.437  148.929  275.718  129.037 103.7184 197.0541 
1 1 1    3   27   17 o  229.340  109.433  -0.1972   0.6437   0.3033   1.1532  -0.4237   0.7759  292.928  141.493  232.408  113.142 60.51970 181.1664 
1 1 1    3   29    0 o  298.401  119.581   0.3505   0.4992   0.3423   0.6855   0.3599   0.7285  321.817  135.608  329.020  139.286 -7.203003 194.3970 
1 1 1    3   29    1 o  171.870   84.620  -0.8694   0.4728  -0.7813   0.6258  -0.9866   0.7215  214.257  103.671  223.109  108.723 -8.852783 150.2275 
1 1 1    3   29    2 o  872.735   80.490   3.8000   0.6391   4.9708   0.9285   2.7460   0.8810  973.295  105.356  684.972  144.334 288.3227 178.6956 
1 1 1    3   29    3 o  479.764  130.902   1.3228   0.5940   1.2018   0.7108   1.6028   1.0812  447.495  148.197  488.473  181.029 -40.97791 233.9523 
1 1 1    3   29    4 o  386.594  133.743   0.8364   0.5793   1.4406   0.6808  -0.7499   1.1030  492.239  142.273  297.545  142.329 194.6938 201.2437 
1 1 1    3   29    5 o  206.980   97.740  -0.4105   0.4879  -0.6915   0.6345  -0.0037   0.7634  221.293  106.401  296.826  133.495 -75.53314 170.7107 
1 1 1    3   29    6 o  521.814  116.239   1.5028   0.5438   1.3763   0.7058   1.6877   0.8532  476.021  146.655  513.513  161.746 -37.49173 218.3336 
1 1 1    3   29    7 o  288.076  118.323   0.2927   0.5030   0.2317   0.6739   0.3695   0.7557  304.880  131.613  329.855  140.824 -24.97552 192.7520 
1 1 1    3   29    8 o  406.351  124.749   0.9512   0.5112   0.5263   0.6635   1.5719   0.8019  337.281  136.906  493.669  156.949 -156.3876 208.2694 
1 1 1    3   29    9 o  496.237  140.523   1.5165   0.6707   0.1594   1.1698   2.1812   0.8187  345.918  159.262  588.128  150.620 -242.2097 219.2047 
1 1 1    3   29   10 o  438.684  142.551   1.2272   0.6589   1.4623   1.1241   1.1042   0.8132  442.245  178.654  410.038  155.917 32.20667 237.1230 
1 1 1    3   29   11 f  782.096   87.833   3.2219   0.6212   3.7539   0.8523   2.6191   0.9073  806.044  118.440  618.188  158.687 187.8563 198.0141 
1 1 1    3   29   12 o  245.383  108.847   0.0810   0.4894   0.7487   0.6283  -0.9497   0.7806  345.936  135.576  223.436  109.757 122.5001 174.4346 
1 1 1    3   29   13 o  264.720  117.783   0.1899   0.5773   0.2193   0.6333   0.0454   1.4049  273.926  122.508  316.423  153.628 -42.49722 196.4939 
1 1 1    3   29   14 o  280.174  120.153   0.4097   0.5546   1.1535   0.7848  -0.3325   0.7839  368.090  149.072  243.131  117.245 124.9587 189.6546 
1 1 1    3   29   15 o  253.427  119.903   0.0289   0.7407   0.5877   1.5015  -0.1509   0.8515  307.887  151.437  252.439  121.850 55.44804 194.3725 
1 1 1    3   31    0 o  264.290  118.512  -0.0241   0.5968   0.6174   0.6994  -1.7434   1.1449  352.215  141.397  258.806  128.208 93.40884 190.8675 
1 1 1    3   31    1 o  402.076  131.141   0.9450   0.5574   1.1575   0.7729   0.7148   0.8046  429.691  153.985  370.162  150.571 59.52847 215.3672 
1 1 1    3   31    2 o  245.915  110.761  -0.0675   0.5278   0.3546   0.7217  -0.5528   0.7738  321.393  137.426  254.026  120.870 67.36688 183.0178 
1 1 1    3   31    3 o  212.162  100.916  -0.4720   0.5385  -1.4126   0.6821   1.0842   0.8773  193.186   96.243  414.776  160.856 -221.5893 187.4497 
1 1 1    3   31    4 o  460.371  134.660   1.2847   0.6066   1.9085   0.8214   0.5362   0.8997  540.482  156.298  352.971  152.223 187.5111 218.1767 
1 1 1    3   31    5 o  486.762  126.050   1.3997   0.5691   1.4295   0.7471   1.3587   0.8782  466.996  151.799  445.134  163.478 21.86118 223.0869 
1 1 1    3   31    6 o  220.421  101.616  -0.1844   0.4784  -0.0820   0.6214  -0.3335   0.7496  258.220  117.828  259.748  122.196 -1.528473 169.7506 
1 1 1    3   31    7 o  212.027  100.278  -0.3646   0.5172   0.1386   0.7311  -0.8685   0.7317  291.383  130.880  223.315  108.969 68.06789 170.3056 
1 1 1    3   31    8 o  401.744  147.315   1.1055   0.7128   0.7612   1.2571   1.2686   0.8653  367.279  167.594  414.841  160.066 -47.56238 231.7523 
1 1 1    3   31    9 o  266.267  117.633   0.1718   0.5660   0.3954   0.7506  -0.1230   0.8618  307.775  135.743  277.990  130.850 29.78415 188.5414 
1 1 1    3   31   10 o  295.551  125.402   0.4439   0.5927   0.2487   0.7556   0.7559   0.9555  288.338  130.937  340.003  151.383 -51.66428 200.1531 
1 1 1    3   31   11 o  433.583  134.910   1.3605   0.5956   2.0339   0.7838   0.4405   0.9161  503.156  154.475  304.125  140.351 199.0305 208.7119 
1 1 1    3   31   12 o  172.013   86.380  -1.2237   0.6019  -1.1801   0.6863  -1.3691   1.2527  188.012   94.102  244.925  123.215 -56.91290 155.0389 
1 1 1    3   31   13 o  323.560  139.928   0.9329   0.7645   0.9329   0.7645   0.0000   0.0000  323.560  139.928  ?   ?  0.000000 139.9282 
1 1 1    3   33    0 o  323.343  129.781   0.5700   0.5890   0.5820   0.7407   0.5493   0.9715  332.705  140.623  341.704  152.357 -8.999298 207.3342 
1 1 1    3   33    1 o  277.281  119.406   0.2539   0.5519   0.6017   0.7609  -0.1324   0.8019  334.940  142.097  274.564  128.266 60.37537 191.4256 
1 1 1    3   33    2 o  246.993  112.313  -0.0250   0.5584  -0.0611   0.7498   0.0199   0.8367  272.019  126.037  288.164  133.384 -16.14456 183.5118 
1 1 1    3   33    3 o  237.230  109.786  -0.1347   0.5664  -0.2838   0.7465   0.0678   0.8696  254.438  120.378  292.988  135.746 -38.54988 181.4323 
1 1 1    3   33    4 o  363.753  134.109   0.8748   0.5919   0.3325   0.7826   1.5992   0.9046  303.309  135.881  441.585  165.203 -138.2761 213.9055 
1 1 1    3   33    5 o  244.573  117.628  -0.4484   0.7767  -0.9071   1.3810  -0.2361   0.9394  285.837  141.456  275.341  131.609 10.49570 193.2114 
1 1 1    3   33    6 o  248.944  118.414  -0.2471   0.7415  -0.2998   1.3732  -0.2253   0.8810  299.891  146.960  266.193  127.296 33.69870 194.4260 
1 1 1    3   33    7 o  342.999  136.790   0.8559   0.6500   0.0791   0.8708   1.8330   0.9766  278.466  131.214  432.040  169.110 -153.5737 214.0454 
1 1 1    3   33    8 o  280.252  122.632   0.4095   0.6018   0.2449   0.8078   0.6148   0.9022  278.566  129.667  309.125  141.411 -30.55954 191.8603 
1 1 1    3   33    9 o  335.852  135.291   0.9204   0.6427   0.7555   0.8140   1.1933   1.0471  311.086  139.027  338.768  153.952 -27.68268 207.4361 
1 1 1    3   33   10 o  249.221  117.029   0.1263   0.6823   0.0613   0.7743   0.3520   1.4431  251.835  120.124  288.443  143.074 -36.60811 186.8152 
1 1 1    3   33   11 o  256.407  129.190  -0.5646   1.4067   0.0000   0.0000  -0.5646   1.4067  ?   ?   256.407  129.190 0.000000 129.1900 
1 1 1    3   35    0 o  424.519  143.044   1.4568   0.6619   0.8039   0.8326   2.5775   1.0909  322.396  142.538  474.534  180.552 -152.1384 230.0348 
1 1 1    3   35    1 o  292.362  128.672   0.5182   0.6711   0.2847   0.8796   0.8434   1.0380  282.742  132.805  322.313  148.970 -39.57059 199.5729 
1 1 1    3   35    2 f  458.893  160.039   1.9831   0.8303   2.4925   1.2888   1.6217   1.0856  417.519  181.120  373.407  164.018 44.11133 244.3487 
1 1 1    3   35    3 o  235.837  114.130  -0.2845   0.7592  -0.5435   1.1556  -0.0878   1.0071  257.732  127.873  265.588  129.206 -7.856201 181.7844 
1 1 1    3   35    4 o  356.148  151.516   1.3222   0.8693   0.6242   1.4158   1.7445   1.1013  301.481  148.038  368.907  163.475 -67.42578 220.5430 
1 1 1    3   35    5 o  196.692   97.681  -0.8182   0.6806  -1.0128   0.8914  -0.5460   1.0541  215.162  107.625  244.481  121.439 -29.31859 162.2670 
1 1 1    3   35    6 o  232.941  111.285  -0.0447   0.6699   1.2348   0.8854  -1.7578   1.0246  332.557  147.012  205.906  104.481 126.6504 180.3573 
1 1 1    3   35    7 o  236.697  115.790  -0.1749   0.8416  -0.0752   1.5623  -0.2157   0.9989  267.786  135.077  244.857  121.017 22.92885 181.3587 
1 1 1    3   35    8 f  286.758  143.559   1.0279   1.6016   1.0279   1.6016   0.0000   0.0000  286.758  143.559  ?   ?  0.000000 143.5593 
1 1 1    3   37    0 o  254.249  127.159   0.0478   1.2424   0.0000   0.0000   0.0478   1.2424  ?   ?   254.249  127.159 0.000000 127.1593 
1 1 1    3   37    1 o  228.680  117.245  -1.9824   1.6051   0.0000   0.0000  -1.9824   1.6051  ?   ?   228.680  117.245 0.000000 117.2446 
1 1 1    4    0    0 o  2115.23   32.764   20.611   0.6374   20.611   0.6374   20.611   0.6374  2115.23   32.764  2115.23   32.764 0.000000 0.000000 
1 1 1    4    0    1 o  1286.89   33.425   7.6392   0.3952   7.6392   0.3952   7.6392   0.3952  1286.89   33.425  1286.89   33.425 0.000000 0.000000 
1 1 1    4    0    2 o  220.473   58.400   0.2660   0.1024   0.2660   0.1024   0.2660   0.1024  220.473   58.400  220.473   58.400 0.000000 0.000000 
1 1 1    4    0    3 o  414.684   45.177   0.8199   0.1672   0.8199   0.1672   0.8199   0.1672  414.684   45.177  414.684   45.177 0.000000 0.000000 
1 1 1    4    0    4 o  1272.81   39.745   7.4836   0.4645   7.4836   0.4645   7.4836   0.4645  1272.81   39.745  1272.81   39.745 0.000000 0.000000 
1 1 1    4    0    5 o  3306.54   34.068   50.365   1.0363   50.365   1.0363   50.365   1.0363  3306.54   34.068  3306.54   34.068 0.000000 0.000000 
1 1 1    4    0    6 o  644.452   47.809   1.9456   0.2799   1.9456   0.2799   1.9456   0.2799  644.452   47.809  644.452   47.809 0.000000 0.000000 
1 1 1    4    0    7 o  3573.92   32.075   58.821   1.0546   58.821   1.0546   58.821   1.0546  3573.92   32.075  3573.92   32.075 0.000000 0.000000 
1 1 1    4    0    8 o  174.659   90.302   0.2058   0.1867   0.2058   0.1867   0.2058   0.1867  174.659   90.302  174.659   90.302 0.000000 0.000000 
1 1 1    4    0    9 o  2248.72   37.177   23.306   0.7688   23.306   0.7688   23.306   0.7688  2248.72   37.177  2248.72   37.177 0.000000 0.000000 
1 1 1    4    0   10 o  102.307   70.188  -0.1451   0.2127  -0.1451   0.2127  -0.1451   0.2127  102.307   70.188  102.307   70.188 0.000000 0.000000 
1 1 1    4    0   11 o  1544.50   40.853   11.028   0.5797   11.028   0.5797   11.028   0.5797  1544.50   40.853  1544.50   40.853 0.000000 0.000000 
1 1 1    4    0   12 o  370.645  127.714   0.8426   0.3921   0.8426   0.3921   0.8426   0.3921  370.645  127.714  370.645  127.714 0.000000 0.000000 
1 1 1    4    0   13 o  222.007  111.095   0.3467   0.2773   0.3467   0.2773   0.3467   0.2773  222.007  111.095  222.007  111.095 0.000000 0.000000 
1 1 1    4    0   14 o  801.932   55.712   3.0375   0.4066   3.0375   0.4066   3.0375   0.4066  801.932   55.712  801.932   55.712 0.000000 0.000000 
1 1 1    4    0   15 o  428.940  103.244   1.0112   0.3534   1.0112   0.3534   1.0112   0.3534  428.940  103.244  428.940  103.244 0.000000 0.000000 
1 1 1    4    0   16 f  295.919  125.764   0.6028   0.3478   0.6028   0.3478   0.6028   0.3478  295.919  125.764  295.919  125.764 0.000000 0.000000 
1 1 1    4    0   17 o  658.731   69.825   2.1061   0.4124   2.1061   0.4124   2.1061   0.4124  658.731   69.825  658.731   69.825 0.000000 0.000000 
1 1 1    4    0   18 o  656.696   77.015   2.1133   0.4486   2.1133   0.4486   2.1133   0.4486  656.696   77.015  656.696   77.015 0.000000 0.000000 
1 1 1    4    0   19 o  256.950  132.563   0.4780   0.4019   0.4780   0.4019   0.4780   0.4019  256.950  132.563  256.950  132.563 0.000000 0.000000 
1 1 1    4    0   20 o  968.518   96.508   4.5824   0.8405   4.5824   0.8405   4.5824   0.8405  968.518   96.508  968.518   96.508 0.000000 0.000000 
1 1 1    4    0   21 o  618.383   98.212   1.9430   0.5166   1.9430   0.5166   1.9430   0.5166  618.383   98.212  618.383   98.212 0.000000 0.000000 
1 1 1    4    0   22 o  1616.20   61.644   12.272   0.9137   12.272   0.9137   12.272   0.9137  1616.20   61.644  1616.20   61.644 0.000000 0.000000 
1 1 1    4    0   24 o  250.309  146.049   0.4638   0.5583   0.4638   0.5583   0.4638   0.5583  250.309  146.049  250.309  146.049 0.000000 0.000000 
1 1 1    4    0   25 o  183.403  122.191  -0.0287   0.5582  -0.0287   0.5582  -0.0287   0.5582  183.403  122.191  183.403  122.191 0.000000 0.000000 
1 1 1    4    2    0 o  2634.93   35.034   31.984   0.8494   30.816   1.1616   33.326   1.2453  2584.82   48.838  2687.80   50.351 -102.9832 70.14506 
1 1 1    4    2    1 o  1933.44   35.525   17.222   0.6320   17.816   0.9082   16.665   0.8801  1965.13   50.223  1900.57   50.326 64.55383 71.09847 
1 1 1    4    2    2 o  864.914   29.686   3.4453   0.2363   3.4626   0.2850   3.4072   0.4224  866.888   35.729  857.464   53.811 9.424927 64.59273 
1 1 1    4    2    3 o  1440.23   22.113   9.5493   0.2930   9.8015   0.4174   9.3041   0.4115  1458.69   31.097  1421.17   31.470 37.51831 44.24239 
1 1 1    4    2    4 o  1317.27   23.290   7.9899   0.2823   7.9538   0.3962   8.0271   0.4023  1313.77   32.774  1319.78   33.131 -6.012817 46.60224 
1 1 1    4    2    5 o  1926.03   24.074   17.084   0.4267   16.450   0.5963   17.748   0.6107  1889.03   34.306  1962.18   33.823 -73.14709 48.17597 
1 1 1    4    2    6 o  2234.77   25.182   23.001   0.5178   22.740   0.7312   23.265   0.7335  2220.84   35.779  2246.38   35.485 -25.54004 50.39176 
1 1 1    4    2    7 o  3187.01   25.965   46.774   0.7614   48.330   1.1139   45.410   1.0432  3237.96   37.387  3138.79   36.120 99.16577 51.98482 
1 1 1    4    2    8 o  2318.01   25.934   24.742   0.5532   25.059   0.8385   24.498   0.7360  2331.54   39.085  2305.77   34.691 25.77148 52.25965 
1 1 1    4    2    9 o  1581.04   32.879   11.519   0.4783   10.945   0.7425   11.926   0.6254  1539.29   52.419  1607.91   42.271 -68.61560 67.33958 
1 1 1    4    2   10 o  1090.31   36.761   5.4860   0.3688   5.8248   0.5778   5.2530   0.4791  1121.22   56.005  1065.67   48.857 55.55542 74.32071 
1 1 1    4    2   11 o  769.110   36.279   2.7346   0.2567   2.6863   0.3717   2.7787   0.3551  758.313   53.609  771.997   50.262 -13.68353 73.48637 
1 1 1    4    2   12 o  418.012   76.624   0.8527   0.2839   1.5026   0.4202   0.3070   0.3850  555.283   84.932  284.371  107.488 270.9124 136.9933 
1 1 1    4    2   13 o  157.799   69.252  -0.0379   0.1932  -0.1442   0.2718   0.0705   0.2746  172.294   78.352  208.654   86.722 -36.36000 116.8752 
1 1 1    4    2   14 o  613.987   45.927   1.7761   0.2576   1.8946   0.3626   1.6552   0.3661  627.696   63.651  583.871   69.501 43.82477 94.24377 
1 1 1    4    2   15 o  364.596   73.783   0.6652   0.2390   0.9272   0.3563   0.4507   0.3224  423.419   93.903  300.868   99.807 122.5504 137.0372 
1 1 1    4    2   16 o  551.739   53.206   1.4539   0.2668   1.6071   0.3884   1.3171   0.3671  570.056   75.929  513.130   80.381 56.92645 110.5729 
1 1 1    4    2   17 o  771.160   45.969   2.8048   0.3247   3.1139   0.4737   2.5308   0.4460  803.326   64.626  721.970   67.935 81.35590 93.76358 
1 1 1    4    2   18 o  511.009   63.270   1.2650   0.2911   1.3608   0.4077   1.1654   0.4159  518.570   88.626  474.157   98.541 44.41251 132.5326 
1 1 1    4    2   19 f  610.906   59.112   1.7843   0.3281   1.8323   0.4636   1.7361   0.4645  607.299   85.324  589.365   88.368 17.93378 122.8376 
1 1 1    4    2   20 o  735.648   63.454   2.5882   0.4253   1.9522   0.5805   3.3251   0.6249  617.398  106.006  823.574   83.622 -206.1760 135.0181 
1 1 1    4    2   21 o  627.485   74.881   1.9218   0.4238   1.6031   0.5878   2.2668   0.6116  548.922  119.747  666.334  103.080 -117.4119 158.0028 
1 1 1    4    2   22 o  980.025   55.872   4.5718   0.5018   4.8419   0.7686   4.3712   0.6624  987.130   85.463  944.294   76.897 42.83630 114.9650 
1 1 1    4    2   23 o  286.786  110.775   0.3596   0.4148   0.1195   0.5939   0.5881   0.5795  280.591  122.326  342.041  131.250 -61.45010 179.4166 
1 1 1    4    2   24 o  282.197  106.387   0.3914   0.3766   1.0725   0.5530  -0.1975   0.5142  417.717  129.995  226.375  104.707 191.3419 166.9203 
1 1 1    4    2   25 o  182.544   86.118  -0.2733   0.3771  -0.6547   0.5348   0.1040   0.5319  192.456   93.746  253.937  113.014 -61.48059 146.8350 
1 1 1    4    4    0 o  1253.14   27.999   7.2313   0.3229   7.3988   0.3782   6.7816   0.6198  1267.37   32.433  1211.97   55.573 55.40295 64.34512 
1 1 1    4    4    1 o  1049.89   29.309   5.0764   0.2831   5.0409   0.3321   5.1711   0.5418  1046.00   34.504  1056.75   55.919 -10.75476 65.70724 
1 1 1    4    4    2 o  779.125   23.433   2.7948   0.1680   2.8324   0.2156   2.7367   0.2681  784.171   29.875  770.558   37.811 13.61322 48.18898 
1 1 1    4    4    3 o  507.851   24.648   1.1876   0.1152   1.0834   0.1603   1.2991   0.1657  483.449   36.288  529.833   34.164 -46.38376 49.83973 
1 1 1    4    4    4 o  759.529   25.149   2.6569   0.1758   2.6102   0.2505   2.7021   0.2467  752.418   36.177  765.599   35.019 -13.18146 50.34985 
1 1 1    4    4    5 o  678.429   27.673   2.1204   0.1728   2.0376   0.2422   2.2062   0.2465  663.396   39.860  690.484   38.955 -27.08740 55.73430 
1 1 1    4    4    6 o  1193.67   26.676   6.5628   0.2930   6.6376   0.4165   6.4895   0.4123  1199.79   37.726  1186.32   37.768 13.46753 53.38181 
1 1 1    4    4    7 o  2055.96   26.710   19.466   0.5053   19.717   0.7222   19.225   0.7072  2068.18   37.951  2042.27   37.633 25.91272 53.44661 
1 1 1    4    4    8 o  2231.78   30.446   22.944   0.6252   23.034   0.9979   22.885   0.8022  2234.10   48.544  2228.05   39.129 6.052979 62.35046 
1 1 1    4    4    9 o  1007.61   33.403   4.6796   0.3097   4.2518   0.4383   5.1060   0.4376  958.094   49.893  1051.72   45.220 -93.63049 67.33683 
1 1 1    4    4   10 o  1014.64   39.525   4.7557   0.3690   4.2766   0.5272   5.2157   0.5167  957.819   60.124  1060.89   52.928 -103.0740 80.10189 
1 1 1    4    4   11 o  1492.97   33.997   10.304   0.4670   10.663   0.6602   9.9443   0.6608  1515.39   47.350  1462.90   49.086 52.48303 68.20177 
1 1 1    4    4   12 o  532.293   50.943   1.3344   0.2465   1.2820   0.3494   1.3863   0.3477  514.445   76.119  536.594   72.251 -22.14990 104.9492 
1 1 1    4    4   13 o  397.140   63.725   0.7647   0.2250   0.7142   0.3459   0.8017   0.2963  373.676   99.003  400.562   83.101 -26.88593 129.2572 
1 1 1    4    4   14 o  1109.47   37.552   5.7369   0.3834   5.8818   0.5892   5.6305   0.5048  1112.35   57.765  1093.65   50.165 18.69678 76.50731 
1 1 1    4    4   15 o  838.689   44.075   3.3095   0.3389   2.8907   0.4996   3.6666   0.4614  769.955   71.330  876.203   57.541 -106.2475 91.64625 
1 1 1    4    4   16 o  920.361   43.347   3.9741   0.3671   3.7833   0.5540   4.1235   0.4902  882.902   68.730  929.046   57.624 -46.14417 89.68981 
1 1 1    4    4   17 o  1072.52   41.071   5.3844   0.4053   4.9650   0.5821   5.7792   0.5647  1016.84   62.516  1101.89   55.881 -85.04126 83.85101 
1 1 1    4    4   18 o  491.959   66.221   1.1787   0.2922   1.5279   0.4474   0.9192   0.3858  548.553   91.889  419.082  101.181 129.4709 136.6792 
1 1 1    4    4   19 o  1625.40   39.465   12.318   0.5903   11.875   0.8319   12.767   0.8376  1584.49   57.061  1644.25   55.359 -59.76038 79.50225 
1 1 1    4    4   20 o  303.546  103.738   0.4408   0.3481   0.5451   0.5482   0.3703   0.4507  345.378  128.725  302.414  115.817 42.96365 173.1578 
1 1 1    4    4   21 o  263.911  102.202   0.2602   0.3538   0.9783   0.5027  -0.4446   0.4980  426.642  121.942  210.400   99.166 216.2421 157.1741 
1 1 1    4    4   22 o  724.869   72.352   2.5707   0.4761   2.6733   0.6495   2.4516   0.7001  720.195  100.764  677.549  116.492 42.64508 154.0249 
1 1 1    4    4   23 o  423.969  110.663   0.9948   0.4363   1.6112   0.6979   0.5993   0.5591  515.618  142.402  341.103  129.380 174.5149 192.3991 
1 1 1    4    4   24 o  458.336  103.348   1.1752   0.4255   0.9647   0.6038   1.3829   0.5996  391.033  136.464  470.543  132.735 -79.51022 190.3703 
1 1 1    4    4   25 o  225.144  108.922  -0.5916   0.6902  -0.8302   0.8180  -0.0022   1.2858  232.948  114.000  316.628  152.038 -83.67973 190.0299 
1 1 1    4    6    0 o  1127.15   30.803   5.8527   0.3195   5.6230   0.3688   6.5439   0.6397  1104.54   36.283  1189.86   58.426 -85.32727 68.77507 
1 1 1    4    6    1 o  580.392   39.541   1.5604   0.2099   1.5604   0.2099   0.0000   0.0000  580.392   39.541  ?   ?  0.000000 39.54100 
1 1 1    4    6    2 f  2400.53   26.214   26.541   0.5790   26.533   0.8130   26.549   0.8249  2398.95   36.831  2399.59   37.359 -0.6369629 52.46113 
1 1 1    4    6    3 o  1089.40   25.328   5.4661   0.2539   5.6201   0.3257   5.2276   0.4053  1104.29   32.057  1064.43   41.379 39.86218 52.34333 
1 1 1    4    6    4 o  1272.20   23.854   7.4536   0.2792   7.3221   0.3919   7.5892   0.3979  1260.30   33.797  1283.09   33.704 -22.78491 47.73054 
1 1 1    4    6    5 o  303.116   40.181   0.4312   0.1093   0.6754   0.1686   0.2543   0.1435  379.212   49.512  231.146   64.852 148.0660 81.59183 
1 1 1    4    6    6 o  922.469   28.316   3.9194   0.2404   3.9256   0.3431   3.9134   0.3368  922.669   40.410  921.274   39.734 1.395813 56.67204 
1 1 1    4    6    7 f  1433.59   27.938   9.4650   0.3685   8.8617   0.5101   10.124   0.5331  1386.42   39.983  1481.93   39.094 -95.51233 55.91893 
1 1 1    4    6    8 o  2057.10   30.914   19.496   0.5852   20.168   0.9464   19.080   0.7445  2090.05   49.211  2034.13   39.777 55.92883 63.27625 
1 1 1    4    6    9 o  202.717   69.779   0.1737   0.1576   0.2282   0.2325   0.1273   0.2144  237.763   84.533  205.684   79.585 32.07919 116.1017 
1 1 1    4    6   10 o  1234.37   47.345   7.0616   0.5378   7.0819   0.6483   7.0169   0.9628  1234.10   57.089  1217.28   86.521 16.81787 103.6584 
1 1 1    4    6   11 o  1301.94   34.235   7.8429   0.4101   8.3512   0.5935   7.3782   0.5674  1339.78   48.141  1259.06   48.977 80.71082 68.67574 
1 1 1    4    6   12 o  778.461   42.170   2.8282   0.3009   2.9423   0.4264   2.7149   0.4248  788.736   59.181  756.620   61.552 32.11591 85.38753 
1 1 1    4    6   13 o  200.089   82.839   0.0721   0.2491   0.2172   0.3701  -0.0481   0.3369  259.753  103.338  207.225   91.188 52.52774 137.8189 
1 1 1    4    6   14 o  1190.09   37.218   6.6044   0.4076   7.0793   0.6327   6.2675   0.5329  1221.69   56.281  1153.04   50.222 68.64856 75.43089 
1 1 1    4    6   15 o  528.330   58.382   1.3446   0.2791   1.9757   0.4606   0.9785   0.3508  629.570   81.416  436.179   90.377 193.3911 121.6414 
1 1 1    4    6   16 f  1491.04   38.316   10.387   0.5257   10.261   0.7951   10.485   0.7007  1466.79   58.908  1489.19   51.137 -22.39294 78.00704 
1 1 1    4    6   17 o  651.701   55.971   2.0305   0.3324   3.0215   0.5418   1.4325   0.4209  784.304   76.034  531.044   89.302 253.2596 117.2856 
1 1 1    4    6   18 o  1195.53   44.158   6.6984   0.4858   6.1941   0.7131   7.1352   0.6636  1133.23   68.709  1225.22   58.859 -91.99622 90.47231 
1 1 1    4    6   19 o  1267.38   52.651   7.5631   0.6140   8.3784   1.0164   7.0945   0.7705  1307.97   84.908  1215.73   69.162 92.24109 109.5115 
1 1 1    4    6   20 o  340.758  100.711   0.5931   0.3377   0.4563   0.5055   0.7033   0.4539  324.823  123.072  369.018  118.167 -44.19568 170.6172 
1 1 1    4    6   21 o  473.871  113.102   1.1935   0.4863   1.7361   0.9165   0.9809   0.5738  537.115  167.389  423.537  132.518 113.5773 213.4954 
1 1 1    4    6   22 o  416.342  122.825   0.9616   0.5028   1.2148   0.9075   0.8494   0.6039  449.057  165.966  392.256  136.505 56.80063 214.8912 
1 1 1    4    6   23 o  447.994  115.651   1.1355   0.4800   1.0471   0.8204   1.1815   0.5919  410.592  156.489  443.853  133.822 -33.26013 205.9055 
1 1 1    4    6   24 o  384.386  111.060   0.8651   0.4149   0.8548   0.6417   0.8725   0.5438  367.787  138.830  374.346  129.578 -6.559052 189.9061 
1 1 1    4    8    0 o  905.197   28.959   3.7751   0.2412   3.4692   0.3330   4.1129   0.3499  867.091   41.733  944.208   40.273 -77.11688 57.99616 
1 1 1    4    8    1 o  2325.58   27.032   24.914   0.5785   25.142   0.8227   24.691   0.8135  2334.74   38.294  2313.71   38.211 21.02661 54.09695 
1 1 1    4    8    2 o  524.784   33.920   1.2748   0.1629   1.2637   0.2312   1.2858   0.2296  520.758   48.829  525.445   48.011 -4.686584 68.47886 
1 1 1    4    8    3 o  2049.25   28.774   19.348   0.5426   19.470   0.7669   19.225   0.7677  2054.30   40.571  2041.30   40.872 12.99829 57.58929 
1 1 1    4    8    4 o  1376.76   30.874   8.7337   0.3911   8.9347   0.5583   8.5399   0.5482  1391.48   43.601  1360.37   43.790 31.10559 61.79480 
1 1 1    4    8    5 o  683.806   33.496   2.1546   0.2108   2.2454   0.2702   2.0136   0.3368  696.469   42.366  657.765   56.179 38.70361 70.36331 
1 1 1    4    8    6 o  1690.46   29.366   13.162   0.4568   12.888   0.5842   13.595   0.7328  1672.09   37.969  1716.56   46.392 -44.46985 59.94898 
1 1 1    4    8    7 o  1101.21   32.750   5.5877   0.3319   5.7657   0.5356   5.4768   0.4228  1117.32   52.097  1089.69   42.163 27.63757 67.02125 
1 1 1    4    8    8 o  570.745   38.780   1.5098   0.2025   1.7517   0.3022   1.3129   0.2727  613.012   54.131  529.598   56.849 83.41382 78.49829 
1 1 1    4    8    9 o  1028.27   33.470   4.8802   0.3167   5.2312   0.4590   4.5613   0.4375  1062.96   46.926  992.440   47.910 70.52399 67.06238 
1 1 1    4    8   10 o  1534.18   46.302   10.929   0.6536   10.908   0.7869   10.976   1.1740  1529.49   55.911  1519.27   84.311 10.21936 101.1654 
1 1 1    4    8   11 o  1128.16   36.346   5.9006   0.3773   5.6443   0.5339   6.1562   0.5332  1098.74   52.811  1148.28   50.468 -49.53857 73.04806 
1 1 1    4    8   12 o  864.538   41.552   3.4834   0.3306   3.9121   0.4879   3.1196   0.4494  908.693   58.658  810.195   60.729 98.49750 84.43238 
1 1 1    4    8   13 o  823.812   53.242   3.2160   0.4014   3.0532   0.5794   3.3663   0.5567  787.756   81.096  832.226   73.449 -44.46924 109.4130 
1 1 1    4    8   14 o  511.859   62.186   1.2697   0.2869   1.6591   0.4265   0.9480   0.3877  575.705   82.906  424.629  100.736 151.0752 130.4657 
1 1 1    4    8   15 o  699.912   50.720   2.3272   0.3244   2.3010   0.4950   2.3469   0.4296  680.059   80.683  694.281   68.116 -14.22180 105.5909 
1 1 1    4    8   16 o  1100.78   44.507   5.6926   0.4508   4.8461   0.7277   6.2198   0.5743  990.025   80.582  1144.72   54.520 -154.6912 97.29255 
1 1 1    4    8   17 o  1110.71   50.613   5.8251   0.5173   5.4620   1.0839   5.9322   0.5886  1015.29  118.233  1115.38   57.550 -100.0799 131.4958 
1 1 1    4    8   18 o  1310.58   48.060   8.0721   0.5796   6.1364   0.9628   9.1723   0.7258  1105.84   95.558  1391.33   56.695 -285.4894 111.1104 
1 1 1    4    8   19 o  251.013   99.457   0.2046   0.3415  -0.0267   0.6107   0.3098   0.4120  277.149  122.324  284.688  110.282 -7.539337 164.6975 
1 1 1    4    8   20 f  246.613   95.872   0.2161   0.3122   1.0470   0.4959  -0.3296   0.4019  442.520  119.139  193.671   90.584 248.8485 149.6646 
1 1 1    4    8   21 o  446.903  119.809   1.0855   0.5028   1.8849   0.6568  -0.0460   0.7814  588.445  125.143  302.583  135.648 285.8624 184.5564 
1 1 1    4    8   22 o  221.303   93.568   0.0811   0.3281   0.1393   0.4781   0.0292   0.4511  263.559  112.254  243.360  106.338 20.19881 154.6243 
1 1 1    4    8   23 o  1304.55   56.717   8.2199   0.6808   8.5423   0.9825   7.9221   0.9443  1293.55   82.979  1245.77   82.854 47.78857 117.2610 
1 1 1    4    8   24 o  360.910  113.848   0.7817   0.4226   1.0414   0.6853   0.6223   0.5367  389.423  144.167  326.526  126.045 62.89761 191.4973 
1 1 1    4   10    0 o  581.205   36.673   1.5637   0.1951   1.8711   0.2861   1.2962   0.2668  634.577   49.377  526.534   55.931 108.0430 74.60823 
1 1 1    4   10    1 o  1709.55   29.522   13.465   0.4644   12.905   0.6480   14.055   0.6659  1672.48   42.108  1745.47   41.458 -72.98889 59.09154 
1 1 1    4   10    2 o  540.477   38.285   1.3536   0.1892   1.3874   0.2700   1.3211   0.2651  545.252   54.554  531.852   54.960 13.39984 77.43868 
1 1 1    4   10    3 o  2411.47   35.541   26.801   0.7886   28.244   0.9756   24.080   1.3397  2474.54   42.844  2281.34   63.821 193.2004 76.86861 
1 1 1    4   10    4 f  1890.44   31.352   16.464   0.5454   16.004   0.7615   16.947   0.7814  1862.66   44.432  1916.78   44.302 -54.12085 62.74444 
1 1 1    4   10    5 o  2912.04   36.297   39.084   0.9726   41.229   1.7284   38.090   1.1765  2985.62   62.914  2873.50   44.497 112.1250 77.05884 
1 1 1    4   10    6 o  1946.80   38.963   17.477   0.6980   17.965   1.2169   17.238   0.8520  1969.36   67.153  1932.30   47.920 37.06128 82.49815 
1 1 1    4   10    7 o  1705.16   31.436   13.403   0.4932   14.281   0.6528   12.236   0.7530  1758.97   40.330  1626.74   50.307 132.2280 64.47730 
1 1 1    4   10    8 o  1308.57   34.252   7.9047   0.4124   7.8811   0.5332   7.9398   0.6508  1305.14   44.396  1308.22   54.059 -3.086060 69.95310 
1 1 1    4   10    9 o  298.751   84.997   0.4343   0.2448   0.3258   0.2761   0.8336   0.5295  270.664   92.379  410.187  127.141 -139.5228 157.1584 
1 1 1    4   10   10 o  1531.52   40.115   10.889   0.5653   11.330   0.8094   10.470   0.7899  1555.27   56.560  1494.71   57.431 60.56299 80.60590 
1 1 1    4   10   11 o  439.200   59.976   0.9259   0.2361   0.8287   0.3394   1.0168   0.3285  404.595   93.110  453.283   81.761 -48.68762 123.9124 
1 1 1    4   10   12 o  294.254   91.257   0.4315   0.2728   1.6354   0.5923   0.1074   0.3073  553.888  119.699  223.557   92.232 330.3306 151.1115 
1 1 1    4   10   13 o  882.167   60.638   3.7303   0.4892   4.6510   0.9396   3.3879   0.5730  944.565  110.177  831.256   75.749 113.3086 133.7050 
1 1 1    4   10   14 o  792.956   47.798   2.9748   0.3471   3.2887   0.4959   2.6733   0.4861  823.877   65.970  738.496   72.461 85.38043 97.99284 
1 1 1    4   10   15 o  470.926   71.107   1.0962   0.2985   1.0353   0.4324   1.1517   0.4126  439.519  107.755  469.052   98.728 -29.53357 146.1451 
1 1 1    4   10   16 o  819.310   51.257   3.1864   0.3845   3.1161   0.5394   3.2590   0.5482  796.875   74.422  815.429   73.863 -18.55463 104.8537 
1 1 1    4   10   17 o  802.865   51.551   3.0559   0.3788   3.1211   0.5570   2.9999   0.5168  797.374   76.869  784.357   72.416 13.01709 105.6070 
1 1 1    4   10   18 o  994.810   56.768   4.6977   0.5175   5.7941   0.8746   4.1070   0.6419  1082.15   88.610  918.387   76.662 163.7646 117.1699 
1 1 1    4   10   19 o  185.874   84.302  -0.1429   0.3120  -0.4080   0.4643   0.0752   0.4212  204.679   96.251  247.757  105.441 -43.07735 142.7657 
1 1 1    4   10   20 o  350.904  101.448   0.6380   0.3461   0.8803   0.5341   0.4627   0.4544  404.145  128.052  317.758  117.438 86.38751 173.7494 
1 1 1    4   10   21 o  527.347  109.398   1.4822   0.5134   1.3607   0.6746   1.6496   0.7916  483.758  142.147  523.757  154.011 -39.99841 209.5837 
1 1 1    4   10   22 f  382.249  109.264   0.8076   0.4036   0.7001   0.5755   0.9116   0.5660  357.874  132.189  395.747  132.289 -37.87329 187.0146 
1 1 1    4   10   23 o  651.263   78.163   2.1794   0.4590   3.3475   0.7272   1.4054   0.5919  779.619  103.953  475.769  131.035 303.8494 167.2616 
1 1 1    4   10   24 o  378.961  118.462   0.9000   0.4586   2.2171   0.7305   0.0433   0.5892  576.627  139.255  254.642  115.629 321.9855 181.0027 
1 1 1    4   12    0 o  2714.03   30.967   33.932   0.7734   33.794   1.0961   34.070   1.0912  2706.74   44.011  2717.84   43.635 -11.09644 61.97499 
1 1 1    4   12    1 o  1696.44   31.859   13.259   0.4973   13.078   0.7035   13.439   0.7031  1683.69   45.409  1706.84   44.769 -23.15259 63.76734 
1 1 1    4   12    2 o  912.029   35.767   3.8335   0.3002   4.1110   0.4362   3.5839   0.4137  942.328   50.488  879.561   51.339 62.76703 72.00443 
1 1 1    4   12    3 o  622.984   41.625   1.7978   0.2372   1.7985   0.3303   1.7971   0.3409  621.058   58.490  620.514   60.482 0.5440674 84.13770 
1 1 1    4   12    4 o  1358.41   39.231   8.5095   0.4904   8.9520   0.8367   8.2779   0.6052  1390.42   65.394  1338.92   49.124 51.50598 81.78957 
1 1 1    4   12    5 o  795.389   45.957   2.9313   0.3349   2.7496   0.5565   3.0346   0.4194  764.611   80.289  807.852   56.780 -43.24078 98.33817 
1 1 1    4   12    6 o  1275.42   36.675   7.5083   0.4304   6.9487   0.5946   8.1243   0.6238  1224.86   52.756  1324.68   51.180 -99.81873 73.50206 
1 1 1    4   12    7 o  1370.22   43.295   8.6918   0.5459   9.0777   0.9544   8.5041   0.6655  1389.86   74.903  1353.15   53.447 36.70789 92.01648 
1 1 1    4   12    8 o  1828.55   53.600   15.585   0.9019   15.964   1.2655   15.193   1.2856  1839.48   74.766  1792.55   77.940 46.92749 108.0028 
1 1 1    4   12    9 o  921.362   45.785   3.9535   0.3882   3.8406   0.5641   4.0551   0.5350  898.924   68.714  926.086   63.157 -27.16284 93.33006 
1 1 1    4   12   10 o  759.658   50.024   2.7147   0.3477   2.8270   0.4942   2.6046   0.4893  767.011   70.824  734.860   73.344 32.15082 101.9573 
1 1 1    4   12   11 o  574.315   55.398   1.5720   0.2891   1.3456   0.3675   1.9396   0.4683  521.635   79.050  625.794   83.401 -104.1589 114.9114 
1 1 1    4   12   12 o  407.717   91.810   0.8583   0.3362   1.0508   0.4462   0.6057   0.5112  443.283  109.932  347.267  125.144 96.01593 166.5717 
1 1 1    4   12   13 f  528.767   59.315   1.3509   0.2836   1.5513   0.4145   1.1746   0.3889  554.773   83.813  477.254   91.896 77.51868 124.3764 
1 1 1    4   12   14 o  867.951   46.775   3.5604   0.3722   3.2862   0.5077   3.8788   0.5472  821.934   67.736  893.844   67.018 -71.90991 95.28717 
1 1 1    4   12   15 o  194.775   83.587   0.0214   0.2687  -0.0275   0.3975   0.0626   0.3647  224.392   98.886  228.829   97.763 -4.437286 139.0541 
1 1 1    4   12   16 o  339.347   94.676   0.5989   0.3068   0.4310   0.4465   0.7490   0.4223  308.113  115.911  373.943  113.106 -65.82953 161.9516 
1 1 1    4   12   17 o  584.821   66.073   1.6573   0.3493   2.2138   0.5311   1.2329   0.4638  664.308   89.133  484.108  106.958 180.2002 139.2291 
1 1 1    4   12   18 o  748.178   67.232   2.6961   0.4579   2.3168   0.7375   2.9341   0.5842  657.719  126.445  771.622   83.614 -113.9020 151.5897 
1 1 1    4   12   19 o  442.784   88.333   0.9933   0.3473   0.9334   0.5112   1.0447   0.4733  416.234  124.102  442.635  115.118 -26.40094 169.2735 
1 1 1    4   12   20 o  304.817  108.495   0.4453   0.3831   0.3791   0.5101   0.5310   0.5801  308.282  121.737  340.629  131.167 -32.34625 178.9541 
1 1 1    4   12   21 o  363.452  115.267   0.7212   0.4327   0.5686   0.6226   0.8638   0.6018  343.693  134.885  390.580  136.247 -46.88702 191.7218 
1 1 1    4   12   22 f  342.829  109.593   0.6565   0.3906   0.7744   0.5761   0.5563   0.5313  364.265  132.615  326.118  125.538 38.14716 182.6109 
1 1 1    4   12   23 o  407.499  108.767   0.9770   0.4155   1.1982   0.6419   0.8175   0.5450  419.102  140.870  359.636  129.262 59.46628 191.1879 
1 1 1    4   14    0 o  821.776   40.017   3.1151   0.3026   2.7439   0.4194   3.5179   0.4370  767.755   59.844  870.618   54.827 -102.8629 81.16185 
1 1 1    4   14    1 o  1732.53   38.707   13.845   0.6171   14.294   1.0365   13.599   0.7680  1756.54   64.127  1715.77   48.647 40.76392 80.49046 
1 1 1    4   14    2 o  2597.12   37.582   31.114   0.8981   32.598   1.5659   30.387   1.0964  2651.65   64.176  2564.82   46.456 86.82788 79.22582 
1 1 1    4   14    3 o  900.733   56.240   3.7726   0.4638   0.0000   0.0000   3.7726   0.4638  ?   ?   900.733   56.240 0.000000 56.23976 
1 1 1    4   14    4 o  1046.43   44.613   5.0643   0.4296   4.6358   0.7250   5.2961   0.5332  992.387   80.080  1067.38   54.474 -74.99512 96.85107 
1 1 1    4   14    5 o  776.659   42.647   2.8002   0.3036   3.1510   0.4363   2.4709   0.4228  820.988   58.127  725.214   64.012 95.77393 86.46554 
1 1 1    4   14    6 o  870.430   42.105   3.5123   0.3372   4.0868   0.4886   2.9898   0.4660  934.305   57.113  796.707   64.107 137.5984 85.85804 
1 1 1    4   14    7 o  818.302   52.692   3.1388   0.3946   2.7884   0.4649   4.0428   0.7468  766.821   66.541  914.042   89.956 -147.2205 111.8914 
1 1 1    4   14    8 o  929.162   44.146   4.0223   0.3774   3.3621   0.5157   4.7839   0.5539  840.133   67.276  1006.31   60.090 -166.1733 90.20470 
1 1 1    4   14    9 o  610.395   63.650   1.7860   0.3522   2.5078   0.6485   1.4839   0.4195  703.818  103.194  546.636   86.267 157.1817 134.5027 
1 1 1    4   14   10 o  515.027   71.348   1.2986   0.3290   0.5850   0.4417   2.1886   0.4932  340.852  116.844  664.898   82.384 -324.0464 142.9670 
1 1 1    4   14   11 o  433.062   72.085   0.9302   0.2772   0.5182   0.3406   1.7380   0.4769  318.120  102.404  584.047   91.773 -265.9272 137.5090 
1 1 1    4   14   12 o  196.468   85.650  -0.0092   0.2911   0.3456   0.3869  -0.4726   0.4421  282.708  107.532  190.504   90.842 92.20406 140.7670 
1 1 1    4   14   13 o  1452.80   42.758   9.9145   0.5716   10.170   0.7423   9.5430   0.8959  1461.38   55.201  1401.89   69.452 59.48523 88.71722 
1 1 1    4   14   14 o  806.497   54.855   3.1076   0.4047   3.2462   0.5308   2.9154   0.6252  813.988   71.602  756.811   91.650 57.17767 116.3037 
1 1 1    4   14   15 o  656.517   63.716   2.0880   0.3801   2.1285   0.4915   2.0279   0.5993  651.311   83.974  618.624  109.279 32.68744 137.8172 
1 1 1    4   14   16 o  539.558   76.125   1.4402   0.3674   1.4668   0.4751   1.4006   0.5796  531.417  100.857  504.185  125.438 27.23230 160.9556 
1 1 1    4   14   17 o  499.719   86.089   1.2538   0.3816   1.8659   0.6632   0.9510   0.4665  587.253  126.475  421.810  116.393 165.4422 171.8812 
1 1 1    4   14   18 o  822.821   59.055   3.2281   0.4442   3.0730   0.6336   3.3780   0.6228  785.478   89.250  828.154   82.835 -42.67535 121.7669 
1 1 1    4   14   19 o  802.292   59.994   3.0823   0.4397   3.1544   0.6364   3.0165   0.6082  793.885   88.637  777.673   86.453 16.21143 123.8165 
1 1 1    4   14   20 o  829.008   68.025   3.3509   0.5143   3.9216   0.7011   2.6857   0.7569  881.459   87.596  700.390  121.872 181.0689 150.0856 
1 1 1    4   14   21 o  428.667  110.032   1.0274   0.4362   0.4266   0.5973   1.7138   0.6385  315.174  129.141  539.458  130.133 -224.2839 183.3355 
1 1 1    4   14   22 o  227.433   99.070   0.0726   0.3888   0.1314   0.6037   0.0308   0.5083  271.366  120.604  245.553  109.792 25.81325 163.0943 
1 1 1    4   14   23 o  349.328  124.206   0.7897   0.5019   1.1839   0.8212   0.5546   0.6342  387.966  154.064  312.504  130.993 75.46201 202.2246 
1 1 1    4   16    0 o  1476.51   42.205   10.088   0.5734   8.3125   0.8796   11.401   0.7562  1331.07   72.080  1567.19   52.440 -236.1196 89.13750 
1 1 1    4   16    1 o  548.910   53.381   1.4126   0.2662   1.5953   0.3780   1.2329   0.3749  579.380   72.496  505.438   83.538 73.94174 110.6081 
1 1 1    4   16    2 o  871.365   43.052   3.5176   0.3452   4.3673   0.5226   2.8598   0.4598  966.243   59.056  779.751   64.666 186.4921 87.57519 
1 1 1    4   16    3 o  1032.81   40.552   4.9420   0.3854   4.9860   0.5467   4.8986   0.5434  1032.15   57.791  1022.98   57.965 9.168945 81.85201 
1 1 1    4   16    4 o  1217.05   39.569   6.8679   0.4431   6.9547   0.6174   6.7758   0.6363  1220.33   54.985  1203.71   57.452 16.61743 79.52396 
1 1 1    4   16    5 o  1229.41   46.020   7.0380   0.5206   7.3667   0.6402   6.3963   0.8944  1254.41   55.467  1152.87   84.910 101.5394 101.4213 
1 1 1    4   16    6 o  734.871   57.101   2.5521   0.3831   2.9744   0.4759   1.7748   0.6457  790.265   66.051  583.348  124.104 206.9172 140.5860 
1 1 1    4   16    7 o  252.217   87.107   0.2886   0.2457   0.6825   0.3545  -0.0755   0.3408  364.831  101.758  205.036   90.895 159.7945 136.4433 
1 1 1    4   16    8 o  429.563   73.170   0.9107   0.2789   1.5192   0.4221   0.4392   0.3715  551.420   85.984  304.292  106.995 247.1278 137.2632 
1 1 1    4   16    9 o  584.419   72.961   1.6772   0.3838   2.0551   0.6586   1.4829   0.4723  617.601  120.216  535.042   99.597 82.55914 156.1140 
1 1 1    4   16   10 o  209.579   86.625   0.0962   0.2718   0.0669   0.3598   0.1350   0.4147  228.108   97.273  251.465  105.697 -23.35735 143.6445 
1 1 1    4   16   11 o  200.016   85.984   0.0249   0.2853   0.2614   0.4171  -0.1829   0.3910  271.464  109.122  202.986   92.943 68.47801 143.3391 
1 1 1    4   16   12 o  240.923   95.779   0.1997   0.3177   0.5195   0.4268  -0.1976   0.4758  321.028  114.495  223.743  102.479 97.28479 153.6586 
1 1 1    4   16   13 o  1036.49   48.714   5.0800   0.4646   5.1421   0.6002   4.9872   0.7338  1031.41   63.552  1001.54   80.305 29.87543 102.4093 
1 1 1    4   16   14 o  352.961   98.333   0.6571   0.3312   0.3917   0.4168   1.1119   0.5456  295.638  111.818  444.153  127.082 -148.5149 169.2728 
1 1 1    4   16   15 o  291.388  100.934   0.4119   0.3300   0.0594   0.4009   1.1523   0.5811  237.934  102.101  452.510  131.634 -214.5758 166.5899 
1 1 1    4   16   16 o  594.431   84.305   1.7617   0.4482   1.6922   0.6527   1.8236   0.6165  554.664  130.136  584.248  118.728 -29.58405 176.1584 
1 1 1    4   16   17 o  484.168   93.168   1.1960   0.4000   0.9049   0.5198   1.6185   0.6264  409.225  125.824  544.739  127.258 -135.5131 178.9586 
1 1 1    4   16   18 o  1173.99   55.996   6.5395   0.6049   7.2916   0.7977   5.5221   0.9279  1226.70   70.977  1043.63   97.761 183.0688 120.8092 
1 1 1    4   16   19 o  445.394  119.997   1.1006   0.5029   1.1459   0.5672   0.9345   1.0867  448.950  129.901  418.572  173.127 30.37796 216.4424 
1 1 1    4   16   20 o  275.962  112.132   0.2833   0.4456   0.6169   0.5673  -0.2541   0.7201  342.498  130.234  265.067  123.062 77.43079 179.1788 
1 1 1    4   16   21 o  272.644  115.661   0.2460   0.5040   0.7181   0.7099  -0.2337   0.7157  351.722  142.015  258.459  120.886 93.26300 186.4987 
1 1 1    4   16   22 o  167.215   81.214  -0.5031   0.3935  -0.2353   0.5669  -0.7523   0.5468  226.254  106.381  188.253   92.349 38.00151 140.8734 
1 1 1    4   18    0 o  233.887   85.274   0.2208   0.2383   0.7564   0.3380  -0.3087   0.3361  387.803   95.390  176.497   82.642 211.3058 126.2103 
1 1 1    4   18    1 o  487.951   62.790   1.1388   0.2754   1.1223   0.3899   1.1552   0.3890  474.484   92.630  482.137   91.018 -7.653442 129.8634 
1 1 1    4   18    2 o  392.766   83.574   0.7669   0.2928   0.8267   0.3835   0.6833   0.4533  402.869  103.034  369.250  118.070 33.61823 156.7055 
1 1 1    4   18    3 o  921.055   53.209   3.9924   0.4490   3.6254   0.5528   4.7044   0.7700  870.644   69.580  983.036   85.987 -112.3923 110.6122 
1 1 1    4   18    4 o  755.445   57.189   2.7052   0.3946   3.3909   0.5096   1.6787   0.6236  842.153   66.299  563.359  123.678 278.7935 140.3272 
1 1 1    4   18    5 o  739.147   49.703   2.5768   0.3361   2.2205   0.4444   3.0530   0.5137  676.521   72.512  795.128   70.962 -118.6065 101.4576 
1 1 1    4   18    6 o  178.645   78.407  -0.0358   0.2477   0.1275   0.3401  -0.2199   0.3613  235.144   97.025  191.968   88.431 43.17569 131.2775 
1 1 1    4   18    7 o  472.874   86.485   1.1355   0.3624   1.3593   0.6081   1.0121   0.4514  491.689  131.739  433.509  112.270 58.17953 173.0883 
1 1 1    4   18    8 o  256.889   96.644   0.2790   0.3104   0.0328   0.4327   0.5402   0.4456  240.733  104.687  327.667  116.973 -86.93477 156.9780 
1 1 1    4   18    9 o  884.175   52.113   3.7249   0.4221   3.5259   0.5842   3.9425   0.6106  844.049   76.030  893.687   74.946 -49.63855 106.7588 
1 1 1    4   18   10 o  804.938   57.394   3.1141   0.4223   3.0327   0.5956   3.1964   0.5989  775.203   84.892  797.692   82.794 -22.48889 118.5814 
1 1 1    4   18   11 o  761.412   70.878   2.8497   0.4909   2.8514   0.6262   2.8470   0.7907  744.787   93.425  717.014  124.350 27.77258 155.5347 
1 1 1    4   18   12 o  184.999   83.827  -0.1204   0.3076   0.1028   0.4271  -0.3610   0.4434  248.184  105.912  199.632   93.934 48.55147 141.5662 
1 1 1    4   18   13 o  464.481   95.764   1.1282   0.3957   1.3547   0.5723   0.9208   0.5477  490.302  126.125  404.409  129.835 85.89304 181.0095 
1 1 1    4   18   14 o  313.000  100.535   0.5012   0.3284   0.6374   0.4174   0.2800   0.5319  348.057  113.481  295.136  121.506 52.92090 166.2579 
1 1 1    4   18   15 o  596.914   86.373   1.7862   0.4606   1.8154   0.6630   1.7591   0.6404  574.997  128.546  567.620  125.902 7.376770 179.9322 
1 1 1    4   18   16 o  589.682   90.033   1.7536   0.4730   2.4525   0.7056   1.1830   0.6375  680.703  116.855  458.466  139.031 222.2366 181.6169 
1 1 1    4   18   17 o  373.185  106.449   0.7378   0.3835   0.7482   0.4892   0.7212   0.6175  374.215  122.894  373.828  137.112 0.3872375 184.1264 
1 1 1    4   18   18 o  337.784  120.100   0.5876   0.4693   0.9431   0.5188  -1.0122   1.1007  410.033  125.641  286.093  138.201 123.9408 186.7758 
1 1 1    4   18   19 o  619.148   89.863   1.9884   0.4970   2.9863   0.6893   0.9081   0.7173  748.355  102.823  391.816  147.004 356.5385 179.3952 
1 1 1    4   18   20 o  679.667   82.977   2.4008   0.5082   3.1931   0.6893   1.4578   0.7521  765.827  100.225  460.468  152.433 305.3591 182.4305 
1 1 1    4   18   21 o  204.834   96.909  -0.3020   0.4838  -0.5976   0.6142   0.1811   0.7852  210.667  102.120  288.898  132.071 -78.23041 166.9471 
1 1 1    4   20    0 o  618.471   65.870   1.8471   0.3691   1.6974   0.4511   2.1500   0.6419  582.789   86.770  641.022  112.958 -58.23279 142.4376 
1 1 1    4   20    1 o  991.679   53.647   4.6580   0.4877   5.8470   0.6525   3.1528   0.7341  1104.51   64.482  784.360  104.306 320.1530 122.6277 
1 1 1    4   20    2 o  681.506   58.012   2.2204   0.3603   2.2768   0.5083   2.1635   0.5108  677.112   83.348  658.059   86.456 19.05255 120.0903 
1 1 1    4   20    3 o  1163.94   45.637   6.3646   0.4888   6.5996   0.6992   6.1400   0.6835  1171.18   65.139  1128.82   66.094 42.35571 92.79811 
1 1 1    4   20    4 o  1057.73   47.656   5.2727   0.4638   5.3889   0.6539   5.1550   0.6580  1054.79   67.730  1029.93   69.846 24.85486 97.29283 
1 1 1    4   20    5 o  619.397   62.320   1.8588   0.3504   2.4477   0.4992   1.2872   0.4918  701.707   78.675  487.593  111.980 214.1140 136.8551 
1 1 1    4   20    6 o  264.638  101.320   0.2921   0.3449   0.7720   0.5727   0.0191   0.4320  375.246  132.754  237.907  104.005 137.3395 168.6433 
1 1 1    4   20    7 o  354.097  101.148   0.6709   0.3460   0.2750   0.5101   1.0080   0.4708  287.606  118.762  425.472  116.724 -137.8660 166.5201 
1 1 1    4   20    8 o  369.754   93.721   0.7231   0.3193   0.7393   0.4265   0.7025   0.4815  367.106  114.161  358.754  122.004 8.352020 167.0863 
1 1 1    4   20    9 o  599.698   70.396   1.7771   0.3811   1.3155   0.5033   2.3969   0.5833  488.354  114.074  678.995   96.037 -190.6403 149.1172 
1 1 1    4   20   10 o  160.245   76.781  -0.3941   0.3240  -0.7613   0.3784   0.6157   0.6275  150.895   74.560  350.390  135.995 -199.4954 155.0925 
1 1 1    4   20   11 o  239.028  100.695   0.1171   0.3778  -0.0048   0.4454   0.4295   0.7133  237.478  104.659  334.119  139.396 -96.64073 174.3127 
1 1 1    4   20   12 o  468.762   95.431   1.1489   0.3976   1.3030   0.5655   0.9982   0.5592  480.111  126.306  418.844  130.792 61.26694 181.8241 
1 1 1    4   20   13 o  657.863   72.905   2.1268   0.4339   2.1219   0.6261   2.1314   0.6019  631.623  111.820  637.000  106.438 -5.377136 154.3791 
1 1 1    4   20   14 o  495.675  100.115   1.2776   0.4409   1.8514   0.5955   0.5815   0.6559  590.279  113.770  355.825  138.779 234.4547 179.4525 
1 1 1    4   20   15 o  295.078  113.233   0.3656   0.4314   0.2417   0.6228   0.4797   0.5980  306.213  129.162  335.038  131.962 -28.82556 184.6534 
1 1 1    4   20   16 o  732.562   71.363   2.6245   0.4749   2.7696   0.6192   2.4172   0.7402  737.913   93.271  664.085  125.743 73.82758 156.5598 
1 1 1    4   20   17 o  705.687   91.055   2.5498   0.5775   2.6599   0.6433   2.0931   1.3102  713.125  100.853  531.076  198.796 182.0487 222.9153 
1 1 1    4   20   18 o  448.632  110.147   1.1237   0.4514   1.3473   0.5739   0.7612   0.7307  478.054  127.948  369.370  145.753 108.6839 193.9448 
1 1 1    4   20   19 o  269.468  109.277   0.3032   0.4223   0.4956   0.5537   0.0356   0.6529  312.628  125.706  270.414  122.363 42.21396 175.4277 
1 1 1    4   20   20 o  258.134  112.080   0.2065   0.4944   0.0353   0.6315   0.4775   0.7947  258.712  118.335  313.804  138.971 -55.09225 182.5265 
1 1 1    4   20   21 o  280.123  130.782   0.1642   0.8316   0.1642   0.8316   0.0000   0.0000  280.123  130.782  ?   ?  0.000000 130.7823 
1 1 1    4   22    0 o  644.062   83.863   2.0943   0.4852   2.5192   0.9272   1.9340   0.5694  639.885  158.339  602.969  106.523 36.91516 190.8359 
1 1 1    4   22    1 o  508.179   94.025   1.3448   0.4235   0.6009   0.7260   1.7284   0.5214  356.961  143.796  571.456  102.933 -214.4950 176.8407 
1 1 1    4   22    2 o  232.798  101.154   0.0356   0.4033  -0.0097   0.7406   0.0547   0.4809  292.279  131.464  252.572  110.093 39.70750 171.4733 
1 1 1    4   22    3 o  371.744  105.625   0.7495   0.3783   1.2869   0.7115   0.5377   0.4467  459.096  148.041  324.354  116.968 134.7424 188.6737 
1 1 1    4   22    4 o  613.599   81.976   1.9052   0.4513   1.9329   0.7813   1.8913   0.5528  562.359  148.712  595.162  104.769 -32.80359 181.9117 
1 1 1    4   22    5 f  612.625   83.451   1.9067   0.4582   1.9774   0.7247   1.8597   0.5914  579.419  137.917  582.012  114.505 -2.593079 179.2551 
1 1 1    4   22    6 o  218.470   92.442   0.0812   0.3207  -0.2608   0.4284   0.5168   0.4835  203.929   94.760  322.135  120.728 -118.2061 153.4758 
1 1 1    4   22    7 o  291.908   99.400   0.4319   0.3196   0.3217   0.4246   0.5760   0.4855  280.931  111.028  333.201  121.672 -52.26968 164.7157 
1 1 1    4   22    8 o  262.242  101.800   0.2817   0.3516   0.0848   0.4927   0.4859   0.5020  257.785  111.910  318.456  122.165 -60.67087 165.6749 
1 1 1    4   22    9 o  779.114   75.075   3.0151   0.5316   2.8147   0.6215   3.5612   1.0261  738.044   93.612  771.014  150.029 -32.96985 176.8388 
1 1 1    4   22   10 o  876.679   69.179   3.7642   0.5535   3.7594   0.6785   3.7737   0.9572  861.559   86.761  818.109  131.620 43.45068 157.6426 
1 1 1    4   22   11 o  217.891   93.240   0.0503   0.3327   0.3857   0.4692  -0.2889   0.4718  300.659  117.342  214.076   99.464 86.58244 153.8257 
1 1 1    4   22   12 o  304.124  109.687   0.4424   0.3928   0.3777   0.5291   0.5218   0.5863  309.277  123.394  338.165  131.401 -28.88745 180.2563 
1 1 1    4   22   13 o  660.167   79.464   2.1605   0.4730   1.6158   0.6651   2.7179   0.6729  534.603  135.133  724.185  103.958 -189.5821 170.4941 
1 1 1    4   22   14 o  182.317   88.654  -0.7113   0.4726  -0.7253   0.8988  -0.7060   0.5557  272.323  129.767  204.101   98.496 68.22247 162.9142 
1 1 1    4   22   15 o  275.604  112.443   0.2497   0.4504   0.8668   0.6703  -0.2585   0.6082  394.635  143.135  248.364  114.527 146.2706 183.3143 
1 1 1    4   22   16 o  479.174  131.867   1.3449   0.5997   1.4806   0.6817   0.8802   1.2613  494.564  142.208  409.938  178.504 84.62570 228.2255 
1 1 1    4   22   17 o  675.258  110.457   2.5239   0.6626   2.5239   0.6626   0.0000   0.0000  675.258  110.457  ?   ?  0.000000 110.4568 
1 1 1    4   22   18 o  403.684  123.667   1.0092   0.5027   0.6085   0.5909   2.0592   0.9564  328.325  130.585  510.999  171.957 -182.6747 215.9203 
1 1 1    4   22   19 o  248.971  109.104   0.1657   0.4779   0.5309   0.6207  -0.3659   0.7489  307.387  129.262  243.685  116.751 63.70224 174.1823 
1 1 1    4   22   20 o  267.008  129.403  -0.2323   0.9849  -0.2323   0.9849   0.0000   0.0000  267.008  129.403  ?   ?  0.000000 129.4028 
1 1 1    4   24    0 o  364.831  107.641   0.7281   0.3861   0.3995   0.5436   1.0627   0.5485  308.593  124.390  427.559  128.803 -118.9665 179.0614 
1 1 1    4   24    1 o  334.466  112.780   0.6003   0.4114  -0.0104   0.6868   0.9420   0.5138  281.434  126.593  405.065  125.186 -123.6304 178.0370 
1 1 1    4   24    2 o  509.291  106.740   1.4088   0.4842   2.3418   0.8018   0.8731   0.6075  625.916  142.422  388.553  136.807 237.3629 197.4844 
1 1 1    4   24    3 o  367.885  107.660   0.7424   0.3877   0.9773   0.5560   0.5202   0.5407  409.381  130.751  326.553  126.386 82.82803 181.8497 
1 1 1    4   24    4 o  692.098   69.367   2.3647   0.4358   2.6202   0.6299   2.1302   0.6036  704.664   99.951  627.549  108.450 77.11487 147.4840 
1 1 1    4   24    5 o  670.811   75.677   2.2502   0.4590   2.7623   0.6792   1.8199   0.6226  718.464  105.910  567.106  122.867 151.3582 162.2134 
1 1 1    4   24    6 o  514.628   87.901   1.3695   0.4013   1.3611   0.5582   1.3785   0.5774  487.468  124.109  488.188  127.239 -0.7194519 177.7441 
1 1 1    4   24    7 o  550.996   88.470   1.5658   0.4334   1.4805   0.5647   1.6880   0.6760  511.724  121.700  534.126  136.905 -22.40210 183.1767 
1 1 1    4   24    8 o  544.184   97.505   1.5563   0.4703   1.6448   0.5683   1.3637   0.8380  545.660  116.707  463.237  160.819 82.42371 198.7041 
1 1 1    4   24    9 f  304.037  109.918   0.4519   0.3948  -0.0804   0.5086   1.2590   0.6262  243.334  109.239  463.684  137.163 -220.3495 175.3476 
1 1 1    4   24   10 o  523.844   96.497   1.4255   0.4480   1.1978   0.6048   1.7023   0.6669  456.893  134.690  546.724  133.678 -89.83105 189.7661 
1 1 1    4   24   11 o  1218.83   58.102   7.0855   0.6516   8.6516   0.9415   5.6455   0.9028  1326.90   77.449  1055.28   93.955 271.6169 121.7616 
1 1 1    4   24   12 o  397.445  130.546   0.8751   0.5520   0.9445   1.1102   0.8523   0.6362  423.567  175.075  393.803  139.859 29.76471 224.0793 
1 1 1    4   24   13 o  426.793  145.767   1.0643   0.6874   1.4571   1.1093   0.8195   0.8758  473.266  181.589  395.581  158.435 77.68524 240.9907 
1 1 1    4   24   14 o  342.013  118.053   0.6257   0.4512   0.9637   0.6500   0.3114   0.6269  405.815  141.595  308.221  129.774 97.59436 192.0688 
1 1 1    4   24   15 o  491.029  136.414   1.4658   0.6384   2.0854   0.7654   0.0488   1.1574  581.781  143.797  337.538  156.465 244.2427 212.5060 
1 1 1    4   24   16 o  223.568  104.948  -0.3021   0.5479   0.0859   0.6245  -1.5989   1.1418  272.172  121.695  254.378  126.362 17.79405 175.4337 
1 1 1    4   24   17 o  253.981  111.565   0.1460   0.5024   0.0902   0.7230   0.1980   0.6985  277.371  126.774  284.063  127.729 -6.691620 179.9625 
1 1 1    4   24   18 o  276.103  113.209   0.3995   0.4594   0.1736   0.5938   0.7364   0.7252  261.137  117.563  328.207  138.955 -67.07059 182.0148 
1 1 1    4   24   19 o  238.916  113.072  -0.1066   0.6596  -0.1002   0.7765  -0.1232   1.2505  251.917  120.200  282.868  138.944 -30.95108 183.7213 
1 1 1    4   26    0 o  492.511  119.041   1.3689   0.5335   1.7960   0.6640   0.5911   0.8961  554.897  131.973  363.325  154.177 191.5719 202.9471 
1 1 1    4   26    1 o  1521.23   62.886   11.216   0.8803   11.588   1.0674   10.424   1.5563  1528.71   75.884  1365.12  125.291 163.5914 146.4793 
1 1 1    4   26    2 o  567.042   96.320   1.6926   0.4846   2.3785   0.6789   0.9799   0.6920  656.253  116.694  405.058  145.642 251.1950 186.6258 
1 1 1    4   26    3 o  396.063  118.029   0.8852   0.4624   1.1072   0.6182   0.6030   0.6969  430.244  137.911  350.601  141.004 79.64319 197.2352 
1 1 1    4   26    4 o  606.281  102.534   1.9563   0.5516   1.5901   0.6742   2.6979   0.9595  515.615  138.956  652.613  160.813 -136.9976 212.5314 
1 1 1    4   26    5 o  229.578  108.433  -0.4488   0.6011  -0.0587   0.8374  -0.8635   0.8633  301.004  137.133  253.839  122.566 47.16573 183.9235 
1 1 1    4   26    6 o  307.507  130.545   0.2821   0.6428   1.6398   0.9150  -1.0412   0.9034  500.053  168.191  252.592  122.765 247.4605 208.2293 
1 1 1    4   26    7 o  555.181  134.538   1.7752   0.6801   2.4855   1.0441   1.2518   0.8963  614.700  175.767  449.353  165.131 165.3475 241.1684 
1 1 1    4   26    8 o  412.426  124.308   0.9502   0.5108   0.3371   0.5788   3.1083   1.0859  308.422  126.836  704.070  169.628 -395.6488 211.8038 
1 1 1    4   26    9 o  369.991  124.303   0.7416   0.4998   0.3061   0.5811   1.9784   0.9794  304.830  126.387  552.358  173.184 -247.5274 214.3974 
1 1 1    4   26   10 o  309.297  113.805   0.4588   0.4259   0.7124   0.5596   0.1096   0.6566  365.502  131.020  292.695  128.084 72.80710 183.2261 
1 1 1    4   26   11 o  516.447  129.184   1.5232   0.6124   0.4152   1.0450   2.1026   0.7557  365.057  160.620  600.375  139.457 -235.3180 212.7137 
1 1 1    4   26   12 o  1349.73   62.089   8.8069   0.7711   8.9946   1.0986   8.6246   1.0826  1326.35   90.558  1297.73   91.245 28.62573 128.5551 
1 1 1    4   26   13 o  963.081   72.432   4.6161   0.6372   3.6424   0.8561   5.8255   0.9541  806.412  118.943  1047.84  100.174 -241.4308 155.5063 
1 1 1    4   26   14 o  206.307   99.067  -0.5345   0.5460  -0.1348   0.6235  -1.8488   1.1307  252.316  116.207  246.009  122.773 6.306610 169.0480 
1 1 1    4   26   15 o  278.305  121.023   0.2537   0.5782   0.1425   0.6661   0.5939   1.1647  277.274  124.700  347.471  159.582 -70.19623 202.5253 
1 1 1    4   26   16 o  317.016  124.438   0.6277   0.5300   0.9175   0.7211   0.2872   0.7817  354.499  143.131  291.283  132.621 63.21600 195.1275 
1 1 1    4   26   17 o  273.114  118.439   0.3708   0.5508   0.4878   0.7166   0.2021   0.8608  294.030  130.995  279.563  131.333 14.46655 185.4944 
1 1 1    4   28    0 o  574.472  100.434   1.7380   0.5116   2.4215   0.7310   1.0820   0.7161  658.880  125.155  426.032  148.625 232.8476 194.3018 
1 1 1    4   28    1 o  1512.83   58.214   10.968   0.8104   10.867   1.1109   11.083   1.1848  1475.16   82.165  1482.46   87.237 -7.298828 119.8393 
1 1 1    4   28    2 o  860.154   76.859   3.6720   0.6019   5.0882   0.8691   2.3663   0.8345  993.741   96.247  630.582  146.597 363.1589 175.3688 
1 1 1    4   28    3 o  576.453  115.545   1.8125   0.5915   1.7182   0.7110   2.0248   1.0663  539.451  141.483  544.331  181.564 -4.880005 230.1808 
1 1 1    4   28    4 o  416.556  130.709   0.9892   0.5578   0.7443   0.6518   1.6589   1.0779  373.433  140.130  496.297  181.283 -122.8642 229.1285 
1 1 1    4   28    5 o  500.950  110.839   1.3595   0.4974   1.5512   0.6542   1.0970   0.7657  517.230  135.748  429.625  153.337 87.60480 204.7920 
1 1 1    4   28    6 o  704.511   86.498   2.5124   0.5490   2.5526   0.7371   2.4623   0.8226  681.528  122.014  650.964  141.386 30.56445 186.7549 
1 1 1    4   28    7 o  690.132   87.548   2.4200   0.5435   2.2138   0.7199   2.6933   0.8287  626.744  129.126  686.241  136.038 -59.49707 187.5627 
1 1 1    4   28    8 f  392.670  121.868   0.8649   0.4864   0.8522   0.6387   0.8825   0.7504  388.174  139.883  394.941  149.872 -6.766663 205.0089 
1 1 1    4   28    9 o  443.020  122.396   1.1205   0.5155   0.9964   0.6752   1.2940   0.7982  409.149  144.207  451.867  156.952 -42.71774 213.1423 
1 1 1    4   28   10 o  350.513  135.535   0.6542   0.6214  -0.2432   1.0528   1.1340   0.7698  311.349  145.938  423.709  153.441 -112.3598 211.7595 
1 1 1    4   28   11 o  521.605  139.835   1.6945   0.6849   1.9663   1.2281   1.5718   0.8251  490.249  190.265  478.788  159.714 11.46078 248.4134 
1 1 1    4   28   12 o  370.419  143.313   0.8628   0.6951  -0.9332   1.1336   1.9448   0.8799  275.955  134.867  516.082  164.446 -240.1272 212.6772 
1 1 1    4   28   13 o  462.649  144.965   1.4971   0.6863   1.6670   0.7991   1.0191   1.3402  470.537  157.179  374.638  171.737 95.89917 232.8063 
1 1 1    4   28   14 o  484.365  131.278   1.5835   0.5997   1.7547   0.8253   1.3921   0.8729  459.668  159.601  402.801  159.191 56.86697 225.4200 
1 1 1    4   28   15 o  202.858   97.702  -0.3917   0.5404  -0.4361   0.7191  -0.3342   0.8191  227.811  110.446  245.092  118.593 -17.28107 162.0573 
1 1 1    4   28   16 o  255.952  124.498  -0.1637   0.9340  -0.0236   1.3792  -0.2824   1.2694  282.732  140.177  270.617  134.223 12.11490 194.0763 
1 1 1    4   30    0 o  390.513  137.743   0.8632   0.6161   1.5716   0.7502  -0.6045   1.0798  506.481  150.196  301.011  143.097 205.4701 207.4506 
1 1 1    4   30    1 o  629.308  106.847   2.1135   0.5966   2.0418   0.8198   2.1943   0.8698  577.134  152.192  594.228  156.801 -17.09393 218.5157 
1 1 1    4   30    2 o  193.412   92.900  -0.5570   0.4808  -1.1241   0.6451   0.1521   0.7213  199.575   98.374  303.977  133.603 -104.4015 165.9136 
1 1 1    4   30    3 o  429.869  126.883   1.0630   0.5364   0.9358   0.7299   1.2124   0.7910  400.812  148.703  441.490  156.032 -40.67758 215.5427 
1 1 1    4   30    4 o  941.430   75.428   4.4046   0.6479   4.5885   0.8698   4.1754   0.9712  932.130  103.138  863.099  125.995 69.03094 162.8260 
1 1 1    4   30    5 o  700.804   90.419   2.5374   0.5695   2.4411   0.7631   2.6585   0.8555  649.148  132.243  665.404  143.913 -16.25519 195.4458 
1 1 1    4   30    6 f  421.552  130.006   1.0523   0.5545   1.3757   0.7626   0.6895   0.8076  461.841  153.525  365.012  149.930 96.82861 214.5898 
1 1 1    4   30    7 o  366.845  129.648   0.7799   0.5461   1.8409   0.7737  -0.2737   0.7709  534.786  150.738  269.447  125.839 265.3389 196.3602 
1 1 1    4   30    8 o  386.021  144.015   0.9286   0.6865   1.5319   1.2158   0.6462   0.8318  443.029  183.173  353.358  149.166 89.67108 236.2268 
1 1 1    4   30    9 o  474.302  130.773   1.4026   0.5892   1.9021   0.8216   0.8739   0.8453  519.996  157.864  372.098  153.177 147.8985 219.9644 
1 1 1    4   30   10 o  313.984  124.616   0.5442   0.5370   1.3564   0.7229  -0.4559   0.8022  435.519  149.474  252.264  120.855 183.2541 192.2196 
1 1 1    4   30   11 o  224.114  103.709  -0.1203   0.5053  -0.4807   0.6396   0.4783   0.8243  221.278  106.502  314.333  140.232 -93.05453 176.0905 
1 1 1    4   30   12 o  366.339  140.636   1.0276   0.6656   1.0204   0.7683   1.0494   1.3323  357.992  146.545  347.579  163.319 10.41284 219.4277 
1 1 1    4   30   13 o  430.581  138.547   1.4513   0.6234   2.0777   0.8605   0.7594   0.9045  467.263  162.924  315.900  143.376 151.3630 217.0273 
1 1 1    4   30   14 o  262.933  120.947   0.2917   0.6726  -0.1087   0.7720   1.5532   1.3703  243.289  117.075  336.066  160.165 -92.77702 198.3918 
1 1 1    4   32    0 o  287.012  121.439   0.2760   0.5533  -0.5450   0.7177   1.4795   0.8690  241.322  115.259  460.244  163.449 -218.9223 200.0004 
1 1 1    4   32    1 o  243.692  111.176  -0.1067   0.5528  -0.2464   0.7321   0.0786   0.8433  263.379  122.879  303.230  137.939 -39.85071 184.7328 
1 1 1    4   32    2 f  219.995  103.361  -0.3235   0.5334  -0.4041   0.7409  -0.2367   0.7686  253.106  119.802  268.823  125.582 -15.71655 173.5608 
1 1 1    4   32    3 o  541.563  124.489   1.7433   0.6074   1.3967   0.7971   2.2233   0.9379  447.828  156.766  553.812  168.788 -105.9839 230.3584 
1 1 1    4   32    4 o  761.148   96.259   3.1265   0.6591   2.0962   0.8610   4.5846   1.0243  544.350  160.779  871.561  131.844 -327.2105 207.9247 
1 1 1    4   32    5 o  319.074  128.974   0.5422   0.5862   0.1607   0.7778   1.0438   0.8919  294.635  133.418  386.905  158.083 -92.27017 206.8588 
1 1 1    4   32    6 o  319.803  137.644   0.5084   0.7326   1.2336   1.3706   0.2184   0.8669  390.450  176.929  303.852  138.853 86.59805 224.9089 
1 1 1    4   32    7 o  283.549  128.570   0.1855   0.7251  -0.1299   1.2953   0.3295   0.8750  309.639  149.659  307.711  140.184 1.928101 205.0593 
1 1 1    4   32    8 o  384.725  135.486   1.0526   0.5959   0.5799   0.7886   1.6814   0.9096  317.702  139.666  435.360  165.055 -117.6579 216.2169 
1 1 1    4   32    9 o  315.857  128.311   0.6627   0.5833   1.2019   0.7803  -0.0206   0.8783  377.154  150.045  271.408  129.034 105.7458 197.8973 
1 1 1    4   32   10 o  300.891  132.619   0.6031   0.7153   0.9106   0.8341  -0.2519   1.3908  329.357  144.239  282.889  140.342 46.46823 201.2480 
1 1 1    4   32   11 o  313.631  131.946   0.7914   0.6472   0.4725   0.7410   1.8175   1.3291  281.368  128.501  352.465  164.816 -71.09695 208.9902 
1 1 1    4   32   12 o  286.424  134.328   0.6195   0.8941   0.6195   0.8941   0.0000   0.0000  286.424  134.328  ?   ?  0.000000 134.3283 
1 1 1    4   34    0 o  269.755  119.886   0.2201   0.5965  -0.2592   0.7247   1.2268   1.0503  246.819  117.305  377.272  163.582 -130.4530 201.2943 
1 1 1    4   34    1 o  375.390  138.498   1.0195   0.6314   0.8552   0.8052   1.2818   1.0176  345.789  146.410  381.405  163.135 -35.61609 219.2005 
1 1 1    4   34    2 o  356.810  139.021   0.9270   0.6577   1.4394   0.8943   0.3237   0.9705  403.552  160.608  304.052  141.728 99.50043 214.2004 
1 1 1    4   34    3 o  242.949  116.014  -0.2629   0.7263   0.4366   1.1597  -0.7144   0.9317  315.050  149.342  244.620  120.111 70.43082 191.6496 
1 1 1    4   34    4 o  257.211  121.853  -0.0773   0.7699   0.5902   1.3176  -0.4233   0.9487  321.320  154.189  256.276  124.838 65.04337 198.3904 
1 1 1    4   34    5 o  340.509  138.223   0.9152   0.6764   2.1204   0.9536  -0.3053   0.9596  454.594  169.707  258.520  125.848 196.0735 211.2775 
1 1 1    4   34    6 o  434.604  145.084   1.5884   0.6808   1.7790   0.9483   1.3858   0.9780  402.433  163.554  359.981  156.954 42.45193 226.6815 
1 1 1    4   34    7 o  321.972  135.011   0.8757   0.6741   1.0308   0.8805   0.6561   1.0477  326.326  145.306  298.280  141.552 28.04636 202.8566 
1 1 1    4   34    8 o  279.809  127.778   0.5332   0.7325   0.3942   0.8427   0.9630   1.4818  272.400  128.576  301.452  148.688 -29.05157 196.5701 
1 1 1    4   34    9 o  413.724  176.721   2.8734   1.1912   3.6635   1.6840   2.0821   1.6853  374.734  178.306  319.813  157.898 54.92111 238.1699 
1 1 1    4   36    0 o  481.682  168.611   2.5994   0.9221   4.2144   1.3973   1.3539   1.2272  487.468  198.369  320.264  152.337 167.2039 250.1135 
1 1 1    4   36    1 o  220.586  109.123  -0.5637   0.8189  -1.4657   1.1747   0.2890   1.1422  224.069  113.500  272.829  133.765 -48.75961 175.4293 
1 1 1    4   36    2 o  255.171  118.662   0.2984   0.6739   0.0303   0.8687   0.7036   1.0680  249.333  120.998  287.238  138.093 -37.90515 183.6031 
1 1 1    4   36    3 o  197.050   97.916  -0.7233   0.6878  -1.5199   0.8814   0.5173   1.0999  194.360   98.436  275.938  134.416 -81.57806 166.6053 
1 1 1    4   36    4 o  232.568  115.362  -0.3664   0.9384  -0.0017   1.2525  -0.8332   1.4170  257.978  128.821  244.173  123.789 13.80597 178.6574 
1 1 1    4   36    5 o  257.151  129.389  -0.0260   1.3849   0.0000   0.0000  -0.0260   1.3849  ?   ?   257.151  129.389 0.000000 129.3888 
1 1 1    5    1    0 o  1978.59   35.136   18.035   0.6397   18.316   0.9128   17.764   0.8967  1992.61   49.785  1962.36   49.660 30.25293 70.31866 
1 1 1    5    1    1 o  284.775   37.639   0.3802   0.0962   0.4726   0.1175   0.1923   0.1676  317.554   41.186  212.083   71.972 105.4707 82.92351 
1 1 1    5    1    2 o  122.112   42.207   0.0618   0.0577   0.0561   0.0819   0.0675   0.0813  130.942   49.557  135.664   49.742 -4.721924 70.21533 
1 1 1    5    1    3 o  2447.00   25.837   27.574   0.5817   27.467   0.8211   27.681   0.8243  2441.15   36.556  2450.66   36.554 -9.509033 51.69661 
1 1 1    5    1    4 o  2374.84   27.438   25.979   0.5996   26.207   0.8550   25.757   0.8411  2383.84   38.978  2363.32   38.676 20.51489 54.91004 
1 1 1    5    1    5 o  2271.33   26.646   23.764   0.5569   23.696   0.7327   23.857   0.8570  2267.06   35.122  2273.89   40.957 -6.824951 53.95462 
1 1 1    5    1    6 o  929.099   30.880   3.9776   0.2640   3.9306   0.3450   4.0440   0.4100  923.079   40.622  934.608   47.838 -11.52924 62.75791 
1 1 1    5    1    7 o  1687.02   27.407   13.107   0.4254   13.201   0.5939   13.008   0.6098  1692.28   38.138  1679.72   39.452 12.56165 54.87256 
1 1 1    5    1    8 o  1997.87   26.249   18.381   0.4825   18.571   0.7276   18.231   0.6447  2007.04   39.399  1989.03   35.226 18.01123 52.85020 
1 1 1    5    1    9 o  2560.59   31.637   30.214   0.7454   29.098   1.1512   31.021   0.9782  2509.85   49.845  2593.13   40.997 -83.27734 64.53873 
1 1 1    5    1   10 o  686.796   43.470   2.1892   0.2733   2.2778   0.4163   2.1221   0.3623  696.805   65.705  673.646   59.044 23.15875 88.33689 
1 1 1    5    1   11 o  1162.86   31.387   6.2469   0.3359   6.8608   0.5044   5.7581   0.4501  1216.03   45.082  1114.28   43.900 101.7544 62.92520 
1 1 1    5    1   12 o  540.027   62.398   1.3887   0.3044   1.0431   0.4232   1.7588   0.4380  454.115  103.581  602.201   81.103 -148.0862 131.5555 
1 1 1    5    1   13 o  392.734   61.319   0.7457   0.2144   0.6701   0.2993   0.8255   0.3072  363.723   89.928  405.812   84.981 -42.08878 123.7285 
1 1 1    5    1   14 o  393.674   64.063   0.7571   0.2241   0.8640   0.3353   0.6707   0.3012  410.709   91.108  361.416   90.720 49.29306 128.5718 
1 1 1    5    1   15 o  355.915   75.067   0.6373   0.2381   0.8544   0.3426   0.4345   0.3311  405.637   93.686  296.983  101.173 108.6538 137.8883 
1 1 1    5    1   16 o  723.833   44.835   2.4711   0.2972   2.9054   0.4324   2.0824   0.4090  777.291   60.946  653.233   69.099 124.0576 92.13641 
1 1 1    5    1   17 f  318.842   80.983   0.5181   0.2381   0.7336   0.3435   0.3190   0.3302  373.877   98.470  269.980  100.050 103.8968 140.3797 
1 1 1    5    1   18 o  703.871   50.335   2.3474   0.3239   2.7568   0.4701   1.9777   0.4468  754.115   68.499  632.775   78.410 121.3401 104.1166 
1 1 1    5    1   19 o  540.604   65.635   1.4132   0.3198   1.9212   0.4660   0.9608   0.4397  623.030   83.371  426.671  110.955 196.3598 138.7868 
1 1 1    5    1   20 o  270.261  102.412   0.2916   0.3501   0.3353   0.5178   0.2548   0.4751  306.504  122.135  286.641  116.026 19.86340 168.4609 
1 1 1    5    1   21 o  316.155  101.692   0.5026   0.3359   0.5359   0.4714   0.4682   0.4787  333.649  120.188  321.755  120.214 11.89368 169.9902 
1 1 1    5    1   22 o  504.089   82.859   1.2816   0.3710   1.1118   0.5173   1.4613   0.5323  448.023  122.138  520.029  114.345 -72.00592 167.3099 
1 1 1    5    1   23 o  331.783  113.671   0.5930   0.4180   0.1535   0.6000   1.0077   0.5828  282.932  123.156  411.936  134.077 -129.0038 182.0554 
1 1 1    5    1   24 o  210.175   95.216  -0.0789   0.3967  -0.0418   0.5650  -0.1150   0.5571  248.586  113.014  240.287  110.360 8.299301 157.9602 
1 1 1    5    3    0 o  1638.30   28.137   12.360   0.4242   12.395   0.4981   12.268   0.8091  1640.33   33.000  1630.23   53.937 10.09534 63.23118 
1 1 1    5    3    1 o  889.186   39.891   3.6445   0.3264   3.3686   0.4528   3.9429   0.4709  852.010   58.103  922.371   55.742 -70.36066 80.51802 
1 1 1    5    3    2 o  708.401   28.572   2.3113   0.1862   2.3110   0.2131   2.3120   0.3833  708.250   32.699  704.790   59.657 3.460144 68.03078 
1 1 1    5    3    3 o  1589.53   21.861   11.633   0.3197   11.673   0.4464   11.590   0.4582  1591.79   30.478  1585.99   31.397 5.796265 43.75724 
1 1 1    5    3    4 f  2152.03   22.793   21.326   0.4513   21.834   0.6448   20.838   0.6320  2176.61   32.195  2126.32   32.300 50.28247 45.60524 
1 1 1    5    3    5 o  2370.76   23.947   25.884   0.5224   26.787   0.7580   25.068   0.7210  2410.50   34.172  2331.97   33.600 78.52856 47.92397 
1 1 1    5    3    6 o  906.386   30.707   3.7852   0.2561   3.7933   0.3330   3.7735   0.4007  906.904   39.903  902.732   48.415 4.171509 62.73959 
1 1 1    5    3    7 o  529.980   35.845   1.3003   0.1738   1.1624   0.2457   1.4384   0.2458  498.763   54.418  556.191   48.518 -57.42847 72.90674 
1 1 1    5    3    8 o  1112.28   30.175   5.6989   0.3088   5.6863   0.4407   5.7111   0.4329  1110.34   43.137  1112.82   42.277 -2.479248 60.39946 
1 1 1    5    3    9 o  244.060   74.705   0.2772   0.1835   0.0459   0.2962   0.4211   0.2337  215.385   89.842  296.489   82.596 -81.10425 122.0401 
1 1 1    5    3   10 o  1937.90   34.419   17.336   0.6138   18.287   0.9656   16.690   0.7950  1985.93   52.839  1899.14   45.496 86.78320 69.72692 
1 1 1    5    3   11 f  945.883   37.432   4.1420   0.3258   4.3156   0.4623   3.9707   0.4592  961.257   52.460  921.401   54.408 39.85529 75.57957 
1 1 1    5    3   12 f  484.224   59.562   1.1173   0.2598   0.8395   0.4019   1.3167   0.3405  406.028  106.320  522.110   72.856 -116.0817 128.8870 
1 1 1    5    3   13 o  617.311   45.598   1.7914   0.2572   2.0228   0.3960   1.6226   0.3382  648.394   67.359  581.208   64.313 67.18628 93.13133 
1 1 1    5    3   14 o  401.377   66.258   0.7900   0.2362   0.4669   0.3433   1.0806   0.3255  307.114  103.016  465.638   78.768 -158.5238 129.6794 
1 1 1    5    3   15 o  652.623   51.094   2.0249   0.3044   1.9132   0.4543   2.1159   0.4100  619.133   81.747  658.903   68.630 -39.77094 106.7367 
1 1 1    5    3   16 o  490.456   64.111   1.1721   0.2824   1.3113   0.4296   1.0662   0.3748  503.083   96.316  454.270   92.789 48.81363 133.7406 
1 1 1    5    3   17 o  842.689   45.828   3.3484   0.3540   3.9171   0.5292   2.8876   0.4763  901.405   64.218  771.286   67.804 130.1185 93.38783 
1 1 1    5    3   18 o  597.996   59.264   1.7167   0.3218   1.7183   0.4710   1.7153   0.4407  582.781   90.796  585.880   84.161 -3.099060 123.8019 
1 1 1    5    3   19 f  351.367   92.552   0.6319   0.3034   0.5642   0.4403   0.6930   0.4186  337.886  116.617  365.278  113.015 -27.39166 162.3941 
1 1 1    5    3   20 o  370.972   98.669   0.7093   0.3427   0.4570   0.4968   0.9382   0.4732  323.539  122.148  420.374  117.682 -96.83542 169.6149 
1 1 1    5    3   21 o  403.706  100.605   0.8497   0.3724   1.7298   0.5296  -0.0109   0.5237  578.779  103.228  258.872  113.807 319.9065 153.6496 
1 1 1    5    3   22 o  865.057   63.126   3.6127   0.4990   4.0299   0.7128   3.2117   0.6988  895.024   87.678  789.857   98.274 105.1667 131.7008 
1 1 1    5    3   23 o  173.018   83.636  -0.5337   0.4049  -1.0545   0.6034  -0.1072   0.5460  192.114   94.781  245.008  111.277 -52.89417 146.1714 
1 1 1    5    3   24 f  581.955   85.192   1.7891   0.4427   1.9595   0.6690   1.6564   0.5905  561.218  131.795  522.030  124.642 39.18787 181.3984 
1 1 1    5    5    0 o  306.761   35.850   0.4396   0.0993   0.4325   0.1076   0.4799   0.2580  303.784   39.411  316.379   86.253 -12.59409 94.83078 
1 1 1    5    5    1 o  1898.50   29.610   16.603   0.5173   16.979   0.6106   15.647   0.9736  1919.44   34.570  1839.98   57.507 79.45703 67.09747 
1 1 1    5    5    2 o  1600.77   22.857   11.799   0.3367   11.710   0.4269   11.945   0.5476  1594.34   29.097  1609.64   36.973 -15.29297 47.04963 
1 1 1    5    5    3 o  1567.85   21.962   11.319   0.3168   11.170   0.4444   11.472   0.4519  1556.91   31.018  1577.81   31.125 -20.90198 43.94163 
1 1 1    5    5    4 o  1575.71   23.335   11.434   0.3383   11.680   0.4820   11.195   0.4751  1591.86   32.904  1558.40   33.129 33.46155 46.69221 
1 1 1    5    5    5 o  178.509   55.935   0.1457   0.1022   0.0851   0.1480   0.2009   0.1413  170.543   66.087  209.490   65.785 -38.94740 93.24725 
1 1 1    5    5    6 o  416.258   37.895   0.8053   0.1436   0.6884   0.2040   0.9201   0.2021  381.297   60.124  443.604   50.404 -62.30795 78.45738 
1 1 1    5    5    7 o  1893.00   27.081   16.502   0.4717   17.073   0.6831   15.982   0.6522  1924.50   38.575  1862.08   38.061 62.42444 54.19174 
1 1 1    5    5    8 o  1762.44   31.204   14.312   0.5060   14.589   0.8156   14.138   0.6453  1777.50   49.864  1750.90   40.052 26.59534 63.95768 
1 1 1    5    5    9 o  986.948   33.609   4.4922   0.3052   4.8395   0.4417   4.1749   0.4222  1023.23   46.917  949.008   48.514 74.22070 67.48924 
1 1 1    5    5   10 o  998.595   42.133   4.6154   0.3871   5.0755   0.5562   4.1831   0.5392  1042.80   58.196  945.353   62.337 97.44244 85.28006 
1 1 1    5    5   11 o  1430.51   37.246   9.4802   0.4903   9.1519   0.6225   10.017   0.7957  1402.27   48.241  1462.81   59.116 -60.54578 76.30138 
1 1 1    5    5   12 o  872.986   39.621   3.5431   0.3183   3.2977   0.4560   3.7763   0.4445  834.728   59.758  895.690   54.185 -60.96216 80.66618 
1 1 1    5    5   13 o  270.228   83.521   0.3584   0.2287   0.0885   0.3378   0.5868   0.3107  228.771   95.732  338.893   95.535 -110.1225 135.2462 
1 1 1    5    5   14 o  336.219   80.727   0.5742   0.2466   0.1400   0.3672   0.9308   0.3328  243.154  100.613  427.150   87.607 -183.9963 133.4095 
1 1 1    5    5   15 o  639.688   50.753   1.9459   0.2963   2.3996   0.4750   1.6568   0.3791  698.022   75.136  580.154   72.599 117.8675 104.4802 
1 1 1    5    5   16 o  630.095   52.896   1.8935   0.3038   1.5800   0.4555   2.1448   0.4078  555.653   92.337  663.662   67.730 -108.0090 114.5145 
1 1 1    5    5   17 o  1267.92   40.554   7.5241   0.4731   7.1038   0.7153   7.8510   0.6309  1215.10   64.205  1287.28   53.258 -72.18286 83.41897 
1 1 1    5    5   18 f  842.683   49.474   3.3551   0.3819   2.9192   0.5681   3.7145   0.5159  768.741   81.561  879.098   64.225 -110.3576 103.8129 
1 1 1    5    5   19 o  709.429   67.759   2.4260   0.4369   1.9376   0.6845   2.7618   0.5676  599.746  127.941  748.672   83.834 -148.9267 152.9610 
1 1 1    5    5   20 o  924.503   52.898   4.0391   0.4481   3.7062   0.6791   4.2957   0.5964  866.753   86.299  944.875   69.076 -78.12177 110.5397 
1 1 1    5    5   21 o  401.482  123.328   0.8708   0.4995   0.3946   0.9094   1.0766   0.5978  361.755  154.465  439.911  134.875 -78.15543 205.0626 
1 1 1    5    5   22 o  301.712  119.761   0.3716   0.4961   0.2182   0.9210   0.4342   0.5888  338.215  149.702  322.657  129.663 15.55817 198.0488 
1 1 1    5    5   23 o  509.352  107.454   1.4335   0.4878   2.4253   0.8386   0.9264   0.5997  621.754  148.602  392.287  136.051 229.4675 201.4760 
1 1 1    5    5   24 o  302.864  112.444   0.5050   0.4175   0.3768   0.6424   0.5988   0.5494  300.391  129.079  324.060  126.838 -23.66919 180.9672 
1 1 1    5    7    0 o  653.382   35.253   1.9738   0.2112   1.9721   0.2415   1.9791   0.4353  652.608   40.413  648.883   74.237 3.724915 84.52364 
1 1 1    5    7    1 o  1011.41   46.469   4.7233   0.4325   5.1746   0.6234   4.3047   0.6004  1054.95   64.533  961.190   68.332 93.75757 93.98857 
1 1 1    5    7    2 o  1350.01   27.658   8.3961   0.3436   8.0342   0.4781   8.7825   0.4940  1319.71   39.372  1379.84   38.910 -60.13452 55.35519 
1 1 1    5    7    3 o  1630.76   24.958   12.248   0.3745   11.948   0.4713   12.763   0.6169  1610.10   31.811  1663.25   40.308 -53.15222 51.34860 
1 1 1    5    7    4 o  1414.94   24.235   9.2198   0.3155   9.5716   0.4521   8.8857   0.4406  1441.02   34.097  1388.40   34.484 52.61389 48.49545 
1 1 1    5    7    5 o  315.551   42.173   0.4674   0.1194   0.6758   0.1777   0.2957   0.1612  379.001   52.337  248.839   68.326 130.1629 86.06771 
1 1 1    5    7    6 o  996.105   28.213   4.5698   0.2586   4.4819   0.3653   4.6581   0.3661  985.953   40.265  1005.18   39.585 -19.22333 56.46405 
1 1 1    5    7    7 o  326.358   57.756   0.5068   0.1671   0.8546   0.2859   0.3264   0.2059  422.953   76.274  263.770   78.796 159.1830 109.6656 
1 1 1    5    7    8 o  2056.31   28.482   19.483   0.5389   18.598   0.7467   20.446   0.7786  2007.53   40.421  2104.97   40.199 -97.43188 57.00659 
1 1 1    5    7    9 o  2061.10   29.881   19.594   0.5667   19.539   0.8028   19.648   0.8001  2055.62   42.442  2061.41   42.181 -5.788330 59.83781 
1 1 1    5    7   10 o  1009.19   50.256   4.7368   0.4667   4.5902   0.5586   5.0754   0.8490  988.932   61.699  1028.69   90.622 -39.75708 109.6316 
1 1 1    5    7   11 o  1222.29   35.587   6.9244   0.4002   7.1366   0.5775   6.7283   0.5552  1236.19   50.771  1200.48   50.262 35.71130 71.44195 
1 1 1    5    7   12 o  1872.47   34.056   16.273   0.5868   16.282   0.8301   16.265   0.8296  1864.69   48.378  1863.74   48.374 0.9473877 68.41371 
1 1 1    5    7   13 o  389.040   81.644   0.7633   0.2830   0.6732   0.4180   0.8394   0.3844  359.292  113.227  400.214  103.576 -40.92163 153.4548 
1 1 1    5    7   14 o  438.570   68.342   0.9469   0.2668   0.7891   0.3742   1.1102   0.3805  385.912  103.323  464.325   92.316 -78.41354 138.5566 
1 1 1    5    7   15 o  515.653   61.874   1.2901   0.2877   1.4034   0.4301   1.1984   0.3871  522.421   92.880  483.235   90.372 39.18604 129.5908 
1 1 1    5    7   16 o  661.446   58.636   2.1022   0.3532   2.5866   0.6318   1.8821   0.4259  707.949   99.754  616.402   76.760 91.54718 125.8688 
1 1 1    5    7   17 o  658.314   63.502   2.0943   0.3799   2.2478   0.7517   2.0416   0.4403  635.376  132.840  643.515   75.806 -8.138733 152.9480 
1 1 1    5    7   18 o  1084.65   50.646   5.5437   0.5055   5.7006   0.8858   5.4680   0.6155  1069.25   90.898  1068.77   62.865 0.4764404 110.5185 
1 1 1    5    7   19 o  568.853   79.556   1.5945   0.4050   2.4178   0.7089   1.1955   0.4935  679.085  117.721  475.392  114.238 203.6937 164.0378 
1 1 1    5    7   20 o  984.717   50.888   4.5755   0.4595   4.6905   0.6923   4.4850   0.6144  981.337   77.290  964.478   69.699 16.85895 104.0751 
1 1 1    5    7   21 o  226.685  102.284  -0.1337   0.4525   0.3386   0.5876  -0.8219   0.7092  313.086  128.160  232.232  111.870 80.85410 170.1177 
1 1 1    5    7   22 o  353.829  104.820   0.6749   0.3655   0.1264   0.5124   1.2433   0.5216  267.428  115.107  470.318  120.101 -202.8900 166.3545 
1 1 1    5    7   23 f  688.377   90.042   2.4903   0.5567   3.8528   0.9008   1.6484   0.7081  816.699  123.742  506.381  144.724 310.3185 190.4128 
1 1 1    5    7   24 o  311.097  113.642   0.5582   0.4236   0.3910   0.6449   0.6850   0.5617  298.963  128.906  334.511  128.998 -35.54797 182.3658 
1 1 1    5    9    0 o  936.257   29.666   4.0389   0.2556   4.0276   0.3605   4.0503   0.3624  934.267   41.930  936.886   42.040 -2.619385 59.37589 
1 1 1    5    9    1 o  2518.68   27.585   29.223   0.6393   28.609   0.8931   29.869   0.9156  2490.51   38.969  2544.75   39.102 -54.23730 55.20450 
1 1 1    5    9    2 o  2759.71   27.938   35.083   0.7095   34.936   0.9965   35.235   1.0103  2752.22   39.347  2763.91   39.726 -11.69116 55.91352 
1 1 1    5    9    3 o  987.809   31.638   4.4959   0.2876   4.6591   0.4107   4.3390   0.4028  1004.86   44.419  969.685   45.142 35.17572 63.33148 
1 1 1    5    9    4 o  1195.27   32.238   6.5823   0.3546   6.2455   0.4918   6.9467   0.5116  1163.46   45.942  1227.08   45.310 -63.62024 64.52673 
1 1 1    5    9    5 o  1515.62   28.914   10.580   0.4032   10.975   0.5257   10.016   0.6285  1543.07   37.025  1473.42   46.356 69.65308 59.32681 
1 1 1    5    9    6 o  2564.84   32.188   30.311   0.7597   30.176   1.0568   30.455   1.0927  2557.34   44.911  2568.94   46.226 -11.59766 64.45008 
1 1 1    5    9    7 o  758.677   33.069   2.6535   0.2309   2.7978   0.3328   2.5196   0.3205  776.884   46.778  737.002   47.510 39.88153 66.67327 
1 1 1    5    9    8 f  114.919   54.230  -0.1694   0.1497   0.4693   0.2354  -0.6035   0.1941  310.967   81.339   95.978   48.311 214.9889 94.60389 
1 1 1    5    9    9 o  1487.74   34.861   10.233   0.4772   10.093   0.6118   10.450   0.7627  1475.16   45.074  1497.94   55.332 -22.78503 71.36703 
1 1 1    5    9   10 o  1456.38   40.605   9.8466   0.5442   9.1676   0.7424   10.635   0.8000  1398.91   57.672  1506.70   57.700 -107.7892 81.58004 
1 1 1    5    9   11 o  303.318   76.247   0.4572   0.2126   0.4901   0.3080   0.4273   0.2937  314.551   96.880  296.673   95.061 17.87799 135.7289 
1 1 1    5    9   12 o  896.019   50.588   3.7882   0.4154   4.2360   0.8060   3.6262   0.4847  918.551   96.816  871.784   60.805 46.76703 114.3267 
1 1 1    5    9   13 o  201.180   87.594  -0.0093   0.3037   0.2270   0.5667  -0.1045   0.3596  294.748  123.701  204.623   91.860 90.12518 154.0787 
1 1 1    5    9   14 o  220.117   85.194   0.1758   0.2457   0.5186   0.3506  -0.1550   0.3444  317.860  104.027  193.050   87.949 124.8099 136.2225 
1 1 1    5    9   15 o  496.261   67.211   1.2077   0.2990   1.1649   0.4333   1.2466   0.4131  468.978  103.217  490.252   95.010 -21.27487 140.2873 
1 1 1    5    9   16 o  712.359   53.915   2.4208   0.3508   2.2053   0.4721   2.6864   0.5242  666.761   78.447  736.504   78.556 -69.74255 111.0173 
1 1 1    5    9   17 o  591.028   60.949   1.6835   0.3267   2.2400   0.5126   1.3028   0.4240  669.280   85.167  503.080   95.072 166.2001 127.6403 
1 1 1    5    9   18 o  676.736   70.585   2.2227   0.4331   2.5776   0.7161   2.0181   0.5438  701.607  114.905  630.555   96.813 71.05170 150.2529 
1 1 1    5    9   19 o  407.863   90.056   0.8469   0.3289   0.2518   0.4742   1.3988   0.4567  285.338  115.769  522.984   98.513 -237.6455 152.0104 
1 1 1    5    9   20 o  279.864  101.026   0.3547   0.3333   0.3937   0.4859   0.3201   0.4581  308.914  119.739  292.291  115.382 16.62283 166.2844 
1 1 1    5    9   21 f  172.542   83.921  -0.6486   0.4242  -0.8787   0.5269  -0.2246   0.7152  186.077   91.153  272.869  125.222 -86.79158 154.8855 
1 1 1    5    9   22 o  310.602  106.348   0.5058   0.3659   0.8317   0.5398   0.2289   0.4977  379.988  129.176  276.052  115.894 103.9367 173.5451 
1 1 1    5    9   23 o  402.322  109.940   0.9401   0.4186   0.4029   0.6257   1.3753   0.5632  305.537  129.197  472.944  126.812 -167.4077 181.0334 
1 1 1    5    9   24 o  185.732   88.066  -0.3012   0.4038  -0.5953   0.5933  -0.0474   0.5513  206.196  100.047  239.120  109.810 -32.92413 148.5519 
1 1 1    5   11    0 o  1172.85   31.513   6.3372   0.3401   6.4079   0.4836   6.2681   0.4784  1178.58   44.591  1165.66   44.602 12.92859 63.06894 
1 1 1    5   11    1 o  1457.26   30.840   9.7828   0.4135   10.405   0.6069   9.2432   0.5650  1501.93   43.912  1415.63   43.376 86.30176 61.72315 
1 1 1    5   11    2 o  1464.11   31.324   9.8752   0.4220   10.390   0.6100   9.4023   0.5844  1500.86   44.170  1427.69   44.487 73.16919 62.68993 
1 1 1    5   11    3 o  666.350   38.670   2.0538   0.2361   2.1119   0.3361   1.9972   0.3317  673.987   54.661  655.194   55.544 18.79279 77.92938 
1 1 1    5   11    4 o  1898.21   36.356   16.608   0.6350   16.115   1.0323   16.909   0.8054  1866.82   60.096  1914.27   45.725 -47.45215 75.51398 
1 1 1    5   11    5 o  840.381   53.082   3.2767   0.4084   3.6468   0.6108   2.9775   0.5492  883.087   75.904  797.342   75.758 85.74573 107.2414 
1 1 1    5   11    6 o  1892.28   34.300   16.515   0.5972   15.927   0.8264   17.157   0.8641  1856.07   48.388  1926.34   48.747 -70.26892 68.68503 
1 1 1    5   11    7 o  1511.23   36.820   10.549   0.5120   10.653   0.7239   10.444   0.7243  1515.78   51.897  1500.69   52.455 15.09546 73.78922 
1 1 1    5   11    8 o  920.245   59.081   3.9682   0.4976   3.7984   0.6763   4.1687   0.7349  892.290   83.336  933.864   86.502 -41.57477 120.1142 
1 1 1    5   11    9 o  621.710   52.482   1.8175   0.2974   1.9538   0.4375   1.7004   0.4056  637.493   76.086  594.238   75.906 43.25439 107.4752 
1 1 1    5   11   10 f  1005.55   44.878   4.7175   0.4152   4.7847   0.5875   4.6504   0.5870  1003.68   63.944  989.008   64.861 14.67633 91.08118 
1 1 1    5   11   11 o  702.557   44.627   2.3188   0.2870   1.9774   0.4057   2.6610   0.4061  638.783   70.170  746.970   59.579 -108.1871 92.05217 
1 1 1    5   11   12 o  395.215   72.987   0.7776   0.2556   0.2905   0.3522   1.3197   0.3716  268.007  102.448  513.636   81.336 -245.6294 130.8097 
1 1 1    5   11   13 o  693.057   57.672   2.3053   0.3645   2.2271   0.5321   2.3743   0.5002  662.544   89.582  690.542   80.211 -27.99799 120.2443 
1 1 1    5   11   14 o  441.656   73.093   0.9719   0.2867   1.1413   0.4142   0.8162   0.3971  465.594   99.684  389.519  107.355 76.07468 146.4991 
1 1 1    5   11   15 o  429.866   73.350   0.9217   0.2797   0.8248   0.3866   1.0283   0.4052  392.654  104.973  440.376  102.010 -47.72223 146.3740 
1 1 1    5   11   16 o  436.944   79.041   0.9606   0.3061   0.9612   0.4285   0.9598   0.4374  422.865  109.324  421.727  111.145 1.137756 155.9006 
1 1 1    5   11   17 f  1047.09   47.505   5.1562   0.4577   5.4488   0.6499   4.8682   0.6447  1063.41   66.759  1002.48   70.336 60.93207 96.97418 
1 1 1    5   11   18 o  811.256   63.240   3.1528   0.4684   3.5496   0.7829   2.9316   0.5845  834.266  104.260  770.805   83.753 63.46057 133.7338 
1 1 1    5   11   19 o  260.567   98.606   0.2728   0.3243   0.2849   0.4656   0.2614   0.4519  288.282  115.498  282.045  113.505 6.236481 161.9359 
1 1 1    5   11   20 o  1037.39   62.493   5.1668   0.5938   4.3074   0.7233   6.9418   1.0396  930.178   85.466  1169.52   97.493 -239.3371 129.6513 
1 1 1    5   11   21 o  485.027  105.269   1.2661   0.4563   0.8692   0.6715   1.6067   0.6220  391.362  143.067  529.884  128.824 -138.5219 192.5196 
1 1 1    5   11   22 o  595.382   81.938   1.8263   0.4370   1.6953   0.6402   1.9406   0.5980  529.688  131.863  585.468  115.104 -55.77985 175.0337 
1 1 1    5   11   23 o  322.926  114.308   0.6127   0.4247   0.0540   0.6104   1.1366   0.5912  261.013  118.194  412.833  135.072 -151.8203 179.4832 
1 1 1    5   13    0 o  779.522   37.772   2.8013   0.2709   2.5001   0.3783   3.1186   0.3882  733.360   56.496  820.151   51.706 -86.79156 76.58525 
1 1 1    5   13    1 o  814.207   37.986   3.0565   0.2846   2.7435   0.3989   3.3809   0.4061  768.325   56.828  853.987   51.929 -85.66144 76.98087 
1 1 1    5   13    2 o  2435.07   36.108   27.336   0.8091   27.020   1.3430   27.516   1.0136  2416.56   60.398  2441.69   45.116 -25.13403 75.38762 
1 1 1    5   13    3 o  645.819   60.214   1.9476   0.3537   0.0000   0.0000   1.9476   0.3537  ?   ?   645.819   60.214 0.000000 60.21354 
1 1 1    5   13    4 o  1835.55   39.828   15.554   0.6727   16.475   1.2334   15.164   0.8026  1882.13   71.217  1810.98   48.162 71.14819 85.97363 
1 1 1    5   13    5 o  1615.44   35.185   12.047   0.5230   12.205   0.7366   11.887   0.7427  1623.31   49.315  1601.83   50.389 21.47632 70.50531 
1 1 1    5   13    6 o  253.799   78.523   0.3028   0.2021   0.4324   0.2904   0.1810   0.2814  302.092   94.234  236.790   91.309 65.30260 131.2148 
1 1 1    5   13    7 o  359.830   82.435   0.6384   0.2671   0.5246   0.3216   0.8916   0.4796  327.690   98.596  419.774  118.816 -92.08441 154.3970 
1 1 1    5   13    8 o  407.325   70.915   0.8069   0.2561   0.3921   0.3530   1.2682   0.3722  296.182  104.283  509.137   82.260 -212.9553 132.8221 
1 1 1    5   13    9 o  755.639   44.208   2.6735   0.3060   2.1845   0.3824   3.5448   0.5104  676.922   62.085  862.318   64.803 -185.3964 89.74404 
1 1 1    5   13   10 o  532.102   63.908   1.3670   0.3066   1.3881   0.4208   1.3430   0.4477  524.594   90.448  511.736   98.662 12.85794 133.8476 
1 1 1    5   13   11 o  455.562   67.554   1.0179   0.2746   1.1774   0.3621   0.8018   0.4213  482.813   84.578  386.940  111.953 95.87253 140.3100 
1 1 1    5   13   12 o  683.172   69.289   2.2824   0.4295   2.2763   0.5437   2.2926   0.7007  668.729   90.697  647.388  122.101 21.34131 152.1003 
1 1 1    5   13   13 o  457.245   78.077   1.0520   0.3167   1.0822   0.4112   1.0080   0.4965  451.655  101.429  425.519  121.044 26.13672 157.9227 
1 1 1    5   13   14 o  1025.56   44.552   4.9496   0.4204   4.4714   0.5875   5.4514   0.6019  959.402   66.971  1063.86   61.752 -104.4631 91.09560 
1 1 1    5   13   15 o  782.333   51.915   2.9125   0.3716   3.7125   0.5700   2.3211   0.4901  871.041   71.752  682.890   79.479 188.1514 107.0754 
1 1 1    5   13   16 o  240.264   92.180   0.2214   0.2858   1.1926   0.4416  -0.4790   0.3750  475.837  103.775  170.764   82.025 305.0732 132.2780 
1 1 1    5   13   17 o  364.970  103.305   0.6949   0.3626   1.1193   0.6396   0.4938   0.4401  447.717  139.883  322.127  116.120 125.5904 181.7991 
1 1 1    5   13   18 o  1019.30   51.482   4.9077   0.4813   5.0218   0.6875   4.7980   0.6741  1017.30   73.946  994.073   74.228 23.22864 104.7749 
1 1 1    5   13   19 o  858.819   57.669   3.5200   0.4531   4.0758   0.6497   2.9938   0.6322  911.066   78.260  771.622   90.771 139.4441 119.8499 
1 1 1    5   13   20 o  440.930  106.722   1.0469   0.4283   0.8769   0.5394   1.3370   0.7048  395.801  129.000  472.950  146.689 -77.14923 195.3424 
1 1 1    5   13   21 o  726.254   78.228   2.6637   0.5145   2.7756   0.7512   2.5649   0.7062  701.782  120.674  677.250  117.592 24.53265 168.4931 
1 1 1    5   13   22 o  337.268  110.614   0.6586   0.3964   0.3077   0.5721   0.9824   0.5497  287.135  122.554  394.090  130.310 -106.9547 178.8858 
1 1 1    5   13   23 o  567.940   93.615   1.8015   0.4722   1.7541   0.7035   1.8404   0.6370  493.392  145.216  528.167  131.556 -34.77542 195.9460 
1 1 1    5   15    0 o  1701.24   39.490   13.367   0.6182   11.434   0.9475   14.800   0.8157  1568.14   65.662  1788.12   49.577 -219.9824 82.27625 
1 1 1    5   15    1 o  596.240   48.168   1.6561   0.2620   1.3239   0.3561   2.0480   0.3869  527.391   75.545  660.563   64.467 -133.1711 99.31287 
1 1 1    5   15    2 o  862.463   41.438   3.4393   0.3289   3.3385   0.4706   3.5355   0.4597  845.190   60.918  870.565   57.719 -25.37585 83.91915 
1 1 1    5   15    3 o  740.786   44.454   2.5506   0.3016   2.4481   0.4248   2.6548   0.4283  721.582   64.672  752.177   62.442 -30.59497 89.89668 
1 1 1    5   15    4 o  1300.06   37.592   7.8206   0.4497   7.5314   0.6225   8.1364   0.6504  1272.17   53.174  1322.20   53.460 -50.03516 75.40177 
1 1 1    5   15    5 f  1307.72   43.828   7.9431   0.5274   7.4684   0.6345   9.0037   0.9485  1264.78   54.522  1377.89   75.091 -113.1096 92.79723 
1 1 1    5   15    6 o  436.860   75.028   0.9299   0.2907   0.7673   0.3418   1.3558   0.5531  390.625   95.811  512.756  119.438 -122.1313 153.1180 
1 1 1    5   15    7 o  224.769   81.567   0.2072   0.2177   0.0252   0.3081   0.3889   0.3077  210.968   89.986  288.179   97.530 -77.21138 132.7009 
1 1 1    5   15    8 o  306.626   84.209   0.4727   0.2449   0.5004   0.3472   0.4453   0.3454  317.765  103.495  304.270  103.326 13.49500 146.2448 
1 1 1    5   15    9 o  412.319   86.925   0.8651   0.3194   0.6167   0.5230   1.0129   0.4034  351.836  126.602  440.342  101.619 -88.50635 162.3405 
1 1 1    5   15   10 o  267.944   94.109   0.3375   0.2874   0.0679   0.3979   0.6313   0.4155  238.100  101.929  346.644  113.227 -108.5439 152.3473 
1 1 1    5   15   11 o  308.678   89.673   0.4926   0.2698   0.8360   0.3577   0.0388   0.4111  397.341   98.351  236.061  102.347 161.2804 141.9435 
1 1 1    5   15   12 o  270.101  100.055   0.3277   0.3302   0.2466   0.4441   0.4278   0.4938  273.504  111.626  310.372  120.591 -36.86789 164.3249 
1 1 1    5   15   13 o  848.612   53.107   3.4356   0.4126   3.6458   0.5381   3.1357   0.6427  864.491   68.204  784.635   90.692 79.85632 113.4762 
1 1 1    5   15   14 o  261.349   97.666   0.2961   0.3160   0.0454   0.3911   0.7677   0.5363  232.249  100.259  375.033  128.745 -142.7841 163.1787 
1 1 1    5   15   15 o  288.786   97.495   0.4115   0.3075   0.3856   0.3960   0.4507   0.4880  292.674  109.338  315.874  120.619 -23.19962 162.7994 
1 1 1    5   15   16 o  338.309  113.256   0.5844   0.4149   1.3904   0.6294  -0.0348   0.5517  498.171  134.268  261.399  115.775 236.7715 177.2896 
1 1 1    5   15   17 o  492.814   79.497   1.2076   0.3482   1.2632   0.5141   1.1604   0.4734  485.607  116.534  467.532  111.585 18.07495 161.3423 
1 1 1    5   15   18 o  1032.16   52.549   5.0479   0.4974   5.4451   0.7345   4.7113   0.6761  1055.64   76.127  982.183   75.383 73.45837 107.1352 
1 1 1    5   15   19 f  281.602  109.460   0.3242   0.4070   0.7182   0.5121  -0.3510   0.6704  365.685  125.791  253.871  118.156 111.8140 172.5809 
1 1 1    5   15   20 o  262.816  105.697   0.2549   0.3916   0.7086   0.5592  -0.1815   0.5484  358.143  130.613  239.159  109.716 118.9846 170.5793 
1 1 1    5   15   21 o  560.985  110.255   1.7827   0.5488   2.1984   0.7560   1.3194   0.7981  588.792  141.328  433.923  156.371 154.8691 210.7735 
1 1 1    5   15   22 o  253.131  107.255   0.2297   0.4326   0.5292   0.6582   0.0018   0.5740  312.583  132.360  247.925  113.178 64.65834 174.1505 
1 1 1    5   15   23 o  597.602  169.813   3.0167   0.9777   4.0660   1.6050   2.3976   1.2329  523.335  212.741  450.526  185.175 72.80905 282.0431 
1 1 1    5   17    0 f  1373.49   38.803   8.7433   0.4904   9.1541   0.7047   8.3576   0.6829  1400.34   54.691  1337.76   55.475 62.58130 77.90174 
1 1 1    5   17    1 o  1706.06   37.577   13.488   0.5899   13.266   0.8298   13.714   0.8388  1685.81   53.494  1714.18   53.176 -28.36804 75.42808 
1 1 1    5   17    2 o  400.593   71.497   0.7797   0.2539   0.8186   0.3668   0.7438   0.3518  403.523   99.420  384.863   98.826 18.66025 140.1813 
1 1 1    5   17    3 o  714.457   56.008   2.4060   0.3653   2.9130   0.4789   1.7006   0.5648  782.658   67.143  579.708  109.907 202.9501 128.7933 
1 1 1    5   17    4 o  1319.46   44.848   8.1156   0.5445   7.4645   0.6519   9.6175   0.9902  1260.77   56.195  1417.28   76.209 -156.5066 94.68707 
1 1 1    5   17    5 o  861.453   46.339   3.4784   0.3660   3.2679   0.4949   3.7325   0.5437  827.313   65.541  883.576   67.382 -56.26227 93.99997 
1 1 1    5   17    6 o  398.546   75.834   0.7882   0.2679   0.6600   0.3796   0.9154   0.3783  357.688  107.011  421.336   99.213 -63.64783 145.9263 
1 1 1    5   17    7 o  729.376   53.422   2.5268   0.3560   2.4658   0.4838   2.5988   0.5259  709.776   75.223  726.036   80.046 -16.25977 109.8445 
1 1 1    5   17    8 o  797.004   54.424   3.0274   0.3967   2.8059   0.5584   3.2530   0.5638  750.899   82.162  813.140   76.237 -62.24097 112.0832 
1 1 1    5   17    9 o  316.799  100.674   0.5205   0.3300   0.5394   0.5321   0.5087   0.4206  333.699  126.308  318.866  113.661 14.83316 169.9193 
1 1 1    5   17   10 o  323.126   93.364   0.5466   0.2932   0.5525   0.3939   0.5393   0.4390  325.703  110.354  325.319  116.110 0.3839111 160.1862 
1 1 1    5   17   11 o  277.023   99.487   0.3643   0.3228   0.3017   0.4496   0.4309   0.4637  282.731  113.421  306.720  117.470 -23.98914 163.2897 
1 1 1    5   17   12 o  535.917   90.513   1.4801   0.4304   1.4417   0.5329   1.5522   0.7302  512.029  115.811  506.406  147.636 5.623505 187.6395 
1 1 1    5   17   13 o  843.130   54.023   3.3961   0.4169   3.2118   0.5332   3.6860   0.6687  808.065   72.487  855.011   86.170 -46.94513 112.6034 
1 1 1    5   17   14 o  1116.51   49.955   5.8947   0.5132   5.2704   0.6407   7.0130   0.8574  1042.60   67.138  1192.22   78.595 -149.6230 103.3669 
1 1 1    5   17   15 o  476.569   88.894   1.1564   0.3755   0.3863   0.4645   2.6081   0.6378  303.303  117.209  712.969   99.962 -409.6659 154.0465 
1 1 1    5   17   16 o  522.096  101.751   1.4143   0.4713   1.6494   0.6650   1.1770   0.6680  544.194  133.743  455.691  143.051 88.50235 195.8342 
1 1 1    5   17   17 o  687.831   72.375   2.3129   0.4512   2.2557   0.5768   2.4030   0.7243  664.151   97.266  667.414  122.449 -3.262939 156.3790 
1 1 1    5   17   18 o  612.534   93.942   1.9288   0.5126   1.9740   0.5678   1.7297   1.1919  612.512  104.488  504.199  189.438 108.3133 216.3431 
1 1 1    5   17   19 o  360.118  112.150   0.7164   0.4115   0.7760   0.5232   0.6197   0.6662  370.571  127.165  350.112  138.847 20.45972 188.2804 
1 1 1    5   17   20 o  478.104  111.856   1.3088   0.4834   0.5378   0.5893   2.8943   0.8450  323.562  129.828  685.173  138.786 -361.6107 190.0444 
1 1 1    5   17   21 o  228.641  105.527  -0.1134   0.5181  -0.5475   0.7175   0.3596   0.7490  231.816  111.885  302.283  134.343 -70.46715 174.8318 
1 1 1    5   17   22 o  540.131  162.417   2.4065   0.8728   2.6233   1.2871   2.2220   1.1875  464.065  189.790  442.422  181.772 21.64316 262.7949 
1 1 1    5   19    0 o  628.262   62.040   1.8862   0.3540   2.4902   0.4675   1.0745   0.5419  718.487   71.666  448.789  126.038 269.6985 144.9881 
1 1 1    5   19    1 o  658.334   61.391   2.0698   0.3676   1.9340   0.4551   2.3249   0.6236  627.994   80.616  676.900  103.395 -48.90576 131.1085 
1 1 1    5   19    2 o  929.864   47.180   4.0619   0.4024   5.0126   0.5944   3.2578   0.5466  1024.99   63.333  820.511   73.170 204.4805 96.77255 
1 1 1    5   19    3 o  1122.58   43.945   5.8978   0.4539   6.2952   0.6465   5.5114   0.6375  1149.12   61.363  1072.79   64.887 76.33508 89.30725 
1 1 1    5   19    4 o  584.666   61.529   1.6457   0.3261   1.9667   0.4764   1.3629   0.4472  628.137   84.577  514.434   98.050 113.7031 129.4872 
1 1 1    5   19    5 o  628.733   61.033   1.9044   0.3487   1.7766   0.4739   2.0552   0.5147  592.159   89.792  637.294   90.305 -45.13538 127.3485 
1 1 1    5   19    6 o  852.879   52.698   3.4624   0.4115   4.1483   0.5957   2.8361   0.5692  921.814   70.766  752.732   83.597 169.0825 109.5273 
1 1 1    5   19    7 f  399.483  100.658   0.8514   0.3699   0.8002   0.5965   0.8834   0.4714  380.847  135.407  399.035  119.223 -18.18866 180.4134 
1 1 1    5   19    8 o  672.984   71.247   2.2343   0.4345   2.0730   0.6696   2.3516   0.5711  609.451  123.622  674.134   94.670 -64.68286 155.7075 
1 1 1    5   19    9 o  151.521   71.752  -0.2745   0.2664  -0.1740   0.3454  -0.4222   0.4186  189.879   87.093  186.991   88.951 2.888184 124.4889 
1 1 1    5   19   10 o  502.763   80.758   1.2812   0.3610   0.8887   0.4861   1.7638   0.5390  397.630  121.572  574.277  105.899 -176.6470 161.2274 
1 1 1    5   19   11 o  604.406   84.194   1.8532   0.4555   1.8358   0.5658   1.8854   0.7681  583.884  109.325  558.636  147.312 25.24805 183.4467 
1 1 1    5   19   12 o  603.611   78.655   1.8239   0.4265   1.3375   0.5629   2.4796   0.6535  486.412  125.062  683.173  107.513 -196.7606 164.9226 
1 1 1    5   19   13 o  692.879   71.682   2.3567   0.4504   2.7800   0.6560   1.9792   0.6195  732.788   99.888  605.634  115.382 127.1544 152.6130 
1 1 1    5   19   14 o  276.495   97.387   0.3592   0.3079   0.1673   0.3754   0.7531   0.5380  249.327  102.297  376.035  128.949 -126.7079 164.5978 
1 1 1    5   19   15 o  276.499  106.567   0.3060   0.3832   0.1562   0.5346   0.4644   0.5496  280.368  119.035  327.281  127.207 -46.91342 174.2158 
1 1 1    5   19   16 o  200.268   90.387  -0.1228   0.3536  -0.2441   0.4559   0.0603   0.5601  215.542   99.307  272.426  118.780 -56.88382 154.8243 
1 1 1    5   19   17 o  224.222   98.273  -0.0044   0.3879   0.7037   0.4950  -1.1310   0.6243  361.352  123.693  195.584   96.478 165.7681 156.8692 
1 1 1    5   19   18 o  255.902  108.610   0.1510   0.4448   0.2626   0.4845  -0.4468   1.1215  278.969  115.513  309.007  146.587 -30.03879 186.6305 
1 1 1    5   19   19 o  707.971   82.990   2.5982   0.5304   3.7071   0.7321   1.3731   0.7695  829.649   97.770  446.431  154.157 383.2178 182.5470 
1 1 1    5   19   20 f  470.491  117.653   1.3580   0.5080   1.6447   0.6373   0.8584   0.8414  497.148  135.575  355.526  150.049 141.6215 202.2261 
1 1 1    5   19   21 o  388.730  138.533   1.1359   0.6247   1.9501   0.7848  -0.2729   1.0323  491.057  155.175  272.787  132.270 218.2702 203.8989 
1 1 1    5   21    0 o  313.062   98.692   0.5033   0.3176   0.3283   0.4287   0.7161   0.4728  286.468  112.071  365.810  120.844 -79.34155 164.8127 
1 1 1    5   21    1 o  347.540   97.822   0.6345   0.3261   1.5315   0.4982  -0.0378   0.4313  538.885  104.232  231.560  102.471 307.3247 146.1665 
1 1 1    5   21    2 o  337.770   98.505   0.5998   0.3250   0.7949   0.4701   0.4209   0.4499  381.056  120.062  304.974  115.974 76.08148 166.9276 
1 1 1    5   21    3 o  633.412   65.164   1.9555   0.3744   3.2325   0.5861   1.0753   0.4866  805.088   80.180  440.395  117.788 364.6925 142.4883 
1 1 1    5   21    4 o  760.299   59.323   2.7885   0.4117   3.2938   0.5915   2.3135   0.5735  811.711   80.243  667.898   96.081 143.8127 125.1818 
1 1 1    5   21    5 o  475.451   80.933   1.1491   0.3414   1.1408   0.4747   1.1580   0.4914  454.179  113.811  455.825  116.659 -1.646393 162.9797 
1 1 1    5   21    6 o  866.593   63.704   3.6512   0.5044   3.9246   0.8448   3.4998   0.6288  856.049  109.775  832.969   83.153 23.08032 137.7133 
1 1 1    5   21    7 o  683.331   75.867   2.3296   0.4690   2.9681   0.7959   1.9900   0.5805  730.479  122.767  608.223  107.653 122.2554 163.2822 
1 1 1    5   21    8 o  866.813   57.615   3.6190   0.4569   4.3519   0.6522   2.9126   0.6403  935.424   76.441  749.253   95.011 186.1719 121.9444 
1 1 1    5   21    9 o  326.157  102.085   0.5648   0.3405   0.5016   0.4506   0.6488   0.5198  317.091  116.992  348.686  126.113 -31.59573 172.0222 
1 1 1    5   21   10 o  350.028  108.904   0.6625   0.3881   0.4278   0.4587   1.2538   0.7281  304.707  116.806  452.163  150.001 -147.4559 190.1155 
1 1 1    5   21   11 o  532.728   93.766   1.4731   0.4429   1.3227   0.5264   1.8374   0.8193  488.251  118.388  544.787  155.663 -56.53641 195.5674 
1 1 1    5   21   12 o  148.786   72.323  -0.4952   0.3138  -0.5427   0.3998  -0.4191   0.5064  172.857   83.452  211.993   99.943 -39.13643 130.2032 
1 1 1    5   21   13 o  181.272   85.266  -0.3250   0.3648  -0.1744   0.5242  -0.4663   0.5080  239.483  108.870  209.442   99.152 30.04149 147.2540 
1 1 1    5   21   14 o  326.221  122.206   0.4998   0.4953   0.5643   1.0855   0.4829   0.5566  389.971  167.691  329.813  128.066 60.15869 210.9999 
1 1 1    5   21   15 o  241.349   98.553   0.1647   0.3464   0.3113   0.4360  -0.0865   0.5705  284.162  112.438  257.359  115.602 26.80286 161.2641 
1 1 1    5   21   16 o  310.362  108.655   0.4892   0.3829   0.4811   0.4752   0.5040   0.6467  316.333  119.447  336.330  135.633 -19.99759 180.7314 
1 1 1    5   21   17 o  463.081  129.442   1.2756   0.5730   1.2756   0.5730   0.0000   0.0000  463.081  129.442  ?   ?  0.000000 129.4421 
1 1 1    5   21   18 o  328.856  122.548   0.6126   0.4968   0.8767   0.6203   0.1403   0.8296  373.522  137.361  301.041  136.894 72.48135 193.9276 
1 1 1    5   21   19 o  315.135  120.550   0.5921   0.4879   1.0520   0.6121  -0.2099   0.8083  388.696  137.268  263.018  124.676 125.6786 185.4363 
1 1 1    5   21   20 f  230.043  103.588   0.0644   0.4613  -0.0750   0.5749   0.3166   0.7732  234.089  109.105  286.320  130.954 -52.23131 170.4487 
1 1 1    5   23    0 o  634.522   89.486   2.0690   0.5080   1.9184   0.9687   2.1261   0.5966  533.417  172.818  630.190  106.684 -96.77234 203.0951 
1 1 1    5   23    1 o  556.947   90.776   1.6063   0.4492   1.1609   0.7930   1.8168   0.5451  433.127  155.890  582.100  105.655 -148.9723 188.3201 
1 1 1    5   23    2 o  656.013   84.422   2.1888   0.4978   0.9442   0.7963   2.9872   0.6377  401.776  153.928  760.118   93.127 -358.3420 179.9066 
1 1 1    5   23    3 o  276.063  109.395   0.3052   0.4133  -0.0712   0.6521   0.5579   0.5342  270.292  122.298  332.773  126.415 -62.48132 175.8906 
1 1 1    5   23    4 o  243.133  101.970   0.1413   0.3846   0.2948   0.6115   0.0409   0.4948  302.825  127.867  252.307  110.778 50.51756 169.1793 
1 1 1    5   23    5 o  720.807   76.004   2.5952   0.4965   2.5747   0.8214   2.6070   0.6232  661.053  139.430  704.180   98.913 -43.12646 170.9519 
1 1 1    5   23    6 o  372.213  104.214   0.7546   0.3711   0.9852   0.5039   0.4814   0.5485  414.859  123.115  321.283  126.436 93.57535 176.4746 
1 1 1    5   23    7 o  566.828   79.996   1.6257   0.4056   1.3477   0.5349   2.0021   0.6223  488.568  119.879  601.872  116.578 -113.3038 167.2169 
1 1 1    5   23    8 o  211.711   93.299  -0.0205   0.3539   0.2570   0.4726  -0.3747   0.5340  277.869  114.479  220.173  103.436 57.69557 154.2863 
1 1 1    5   23    9 o  779.902   79.310   3.0414   0.5612   2.9306   0.6678   3.3078   1.0355  749.170   99.328  734.691  157.872 14.47894 186.5193 
1 1 1    5   23   10 f  652.322   83.893   2.1454   0.4919   2.0535   0.6032   2.3277   0.8498  619.748  109.796  624.109  149.868 -4.360107 185.7833 
1 1 1    5   23   11 o  488.552   95.873   1.2399   0.4156   1.4902   0.5748   0.9658   0.6016  519.597  122.266  413.703  136.302 105.8939 183.1041 
1 1 1    5   23   12 o  897.115   81.351   3.9927   0.6642   3.5828   1.1644   4.1904   0.8087  763.123  170.157  904.134   98.820 -141.0117 196.7706 
1 1 1    5   23   13 o  839.397  105.912   3.6810   0.7998   3.7362   1.2179   3.6392   1.0607  769.964  175.763  788.447  151.704 -18.48291 232.1781 
1 1 1    5   23   14 o  670.244   86.434   2.2791   0.5207   2.4526   0.7167   2.0853   0.7576  667.757  121.105  597.429  140.218 70.32880 185.2773 
1 1 1    5   23   15 f  264.392  110.779   0.1958   0.4532   0.1328   0.6235   0.2663   0.6600  285.030  124.769  305.027  130.950 -19.99707 180.8737 
1 1 1    5   23   16 o  324.023  129.531   0.5270   0.5842   0.6669   0.6640   0.0480   1.2289  348.462  138.484  337.233  157.943 11.22919 210.0564 
1 1 1    5   23   17 o  549.915   97.791   1.6722   0.4767   1.9547   0.6262   1.2828   0.7351  568.029  123.346  424.685  150.385 143.3440 194.4992 
1 1 1    5   23   18 o  359.266  118.609   0.8312   0.4555   1.1738   0.5931   0.3389   0.7110  407.390  135.393  291.085  130.023 116.3047 187.7160 
1 1 1    5   23   19 o  204.294   97.440  -0.2912   0.5092  -0.4337   0.5908   0.1207   1.0043  209.017  101.037  283.698  135.732 -74.68130 169.2089 
1 1 1    5   25    0 o  263.235  105.155   0.2605   0.3847   0.4356   0.5615   0.1057   0.5281  315.577  126.695  266.377  115.749 49.19974 171.6085 
1 1 1    5   25    1 o  432.759  116.503   1.0549   0.4742   2.1324   0.8296   0.5319   0.5780  584.511  152.597  331.314  129.978 253.1971 200.4499 
1 1 1    5   25    2 o  268.093  110.533   0.2330   0.4410  -0.0268   0.7004   0.4037   0.5676  281.740  127.181  311.294  126.525 -29.55399 179.3981 
1 1 1    5   25    3 o  399.845  109.693   0.8854   0.4157   1.5133   0.6008   0.3084   0.5759  510.897  128.049  299.206  125.081 211.6910 179.0026 
1 1 1    5   25    4 o  574.326   90.883   1.7129   0.4643   1.2629   0.6398   2.2136   0.6749  457.203  139.413  628.638  121.067 -171.4352 184.6436 
1 1 1    5   25    5 o  225.248   98.445   0.0178   0.3868  -0.4629   0.5292   0.5690   0.5667  211.744  100.520  336.591  129.635 -124.8472 164.0410 
1 1 1    5   25    6 o  1061.78   60.704   5.4506   0.5906   5.5047   0.8292   5.3950   0.8415  1040.71   87.397  1027.45   89.913 13.26440 125.3893 
1 1 1    5   25    7 o  293.629  114.338   0.3732   0.4447   0.4741   0.5080   0.0424   0.9198  318.115  122.669  320.794  145.192 -2.679016 190.0747 
1 1 1    5   25    8 o  194.408   91.157  -0.3219   0.4114  -0.6693   0.4704   0.8085   0.8485  183.457   89.031  391.448  156.239 -207.9905 179.8251 
1 1 1    5   25    9 o  234.218  103.256  -0.0187   0.4339  -0.4150   0.5103   1.0148   0.8241  213.138  100.436  420.093  157.579 -206.9549 186.8653 
1 1 1    5   25   10 o  766.074   76.546   2.9006   0.5324   3.4197   0.7319   2.3174   0.7758  813.640   99.848  638.678  136.168 174.9620 168.8532 
1 1 1    5   25   11 o  477.217  125.009   1.2797   0.5555   1.9459   1.1407   1.0726   0.6360  531.584  187.430  430.202  140.070 101.3820 233.9866 
1 1 1    5   25   12 o  742.401   99.538   2.8752   0.6629   2.5732   1.2630   2.9900   0.7787  590.944  197.607  740.253  118.308 -149.3083 230.3150 
1 1 1    5   25   13 o  786.448   78.754   3.1067   0.5623   3.0988   0.7844   3.1150   0.8063  749.346  117.642  747.452  121.397 1.893982 169.0465 
1 1 1    5   25   14 o  342.550  123.613   0.6557   0.4990   0.7681   0.6659   0.5118   0.7536  364.787  140.511  336.572  142.024 28.21558 199.7848 
1 1 1    5   25   15 o  291.935  124.065   0.3308   0.5817   0.3702   0.6663   0.2044   1.1929  305.105  131.289  333.841  156.118 -28.73532 203.9847 
1 1 1    5   25   16 o  262.362  113.186   0.2308   0.4978  -0.2349   0.6486   0.8981   0.7764  240.342  113.247  358.975  147.174 -118.6335 185.7017 
1 1 1    5   25   17 o  293.730  122.036   0.5038   0.5434   0.5399   0.7842   0.4704   0.7538  306.555  136.769  299.106  133.721 7.448792 191.2770 
1 1 1    5   25   18 o  210.907  100.276  -0.2198   0.5306  -0.0210   0.7813  -0.3898   0.7228  254.770  121.289  227.494  110.393 27.27554 164.0044 
1 1 1    5   27    0 o  306.954  122.038   0.4049   0.5159   0.0244   0.6089   1.3728   0.9710  272.705  121.164  457.592  171.170 -184.8875 209.7140 
1 1 1    5   27    1 o  566.085  114.139   1.7582   0.5740   1.4314   0.6678   2.6824   1.1230  488.233  140.859  621.301  183.646 -133.0679 231.4459 
1 1 1    5   27    2 o  379.155  127.910   0.8087   0.5292   1.5327   0.6653  -0.4391   0.8734  507.877  138.525  279.805  131.711 228.0718 191.1463 
1 1 1    5   27    3 o  257.546  112.784   0.0508   0.5099  -0.1951   0.5826   0.8556   1.0540  246.797  113.171  402.095  168.726 -155.2977 203.1655 
1 1 1    5   27    4 o  661.369   98.974   2.2870   0.5838   2.0673   0.6974   2.8017   1.0674  603.307  129.492  653.515  174.299 -50.20862 217.1364 
1 1 1    5   27    5 o  373.898  142.365   0.7422   0.6785   1.5610   0.9851   0.0030   0.9360  487.373  173.931  321.526  145.900 165.8462 227.0211 
1 1 1    5   27    6 o  422.924  146.693   1.0459   0.6972   2.4897   1.0009  -0.3144   0.9716  623.960  169.802  305.094  142.077 318.8659 221.4017 
1 1 1    5   27    7 o  672.683  114.470   2.4371   0.6832   2.4241   1.1249   2.4447   0.8599  595.841  185.411  642.260  148.473 -46.41901 237.5316 
1 1 1    5   27    8 o  432.376  115.228   1.0303   0.4667   0.8650   0.6092   1.2651   0.7262  392.518  137.074  458.163  149.702 -65.64554 202.9777 
1 1 1    5   27    9 o  177.744   86.124  -0.6090   0.4357  -0.6225   0.5630  -0.5888   0.6880  209.531  100.610  238.812  113.725 -29.28101 151.8416 
1 1 1    5   27   10 o  697.351  108.802   2.6145   0.6754   3.1394   1.2472   2.3967   0.8034  659.843  193.104  636.719  140.851 23.12372 239.0149 
1 1 1    5   27   11 o  400.878  122.120   0.9268   0.4911   1.4271   0.6817   0.3870   0.7080  479.690  143.381  322.563  136.974 157.1273 198.2924 
1 1 1    5   27   12 o  476.973  122.060   1.3370   0.5379   1.8454   0.7241   0.7106   0.8037  540.563  143.260  360.430  148.967 180.1335 206.6750 
1 1 1    5   27   13 f  405.993  139.177   1.0795   0.6267   1.1244   0.7258   0.9480   1.2420  405.833  148.681  382.108  171.180 23.72565 226.7348 
1 1 1    5   27   14 o  427.356  144.609   1.3098   0.6764   1.1784   0.7773   1.7198   1.3730  395.944  151.991  413.254  182.857 -17.31049 237.7774 
1 1 1    5   27   15 o  306.253  122.665   0.5818   0.5250   0.6426   0.7244   0.5145   0.7621  317.189  136.691  305.593  135.674 11.59552 192.5924 
1 1 1    5   27   16 o  294.703  122.633   0.5657   0.5500   1.1493   0.7609  -0.0726   0.7958  359.497  146.351  254.122  121.373 105.3758 190.1319 
1 1 1    5   29    0 o  300.404  124.599   0.2980   0.5651   0.7513   0.6585  -0.9689   1.1009  375.217  140.839  287.617  138.760 87.60062 197.7112 
1 1 1    5   29    1 o  386.373  127.883   0.8317   0.5293   1.2637   0.7187   0.3193   0.7826  458.105  148.880  331.034  142.369 127.0710 205.9957 
1 1 1    5   29    2 o  243.913  108.490  -0.0378   0.4895  -0.2755   0.6425   0.2909   0.7555  253.142  117.073  324.507  139.722 -71.36545 182.2860 
1 1 1    5   29    3 o  386.580  125.788   0.8342   0.5129   0.8194   0.6767   0.8543   0.7864  385.337  143.137  393.974  152.434 -8.637146 209.1040 
1 1 1    5   29    4 o  916.161   75.433   4.1525   0.6303   4.0739   0.8762   4.2367   0.9073  872.852  111.652  888.146  113.620 -15.29388 159.2973 
1 1 1    5   29    5 o  369.065  127.083   0.7523   0.5228   0.6595   0.7252   0.8527   0.7542  363.094  144.590  390.664  149.773 -27.57022 208.1788 
1 1 1    5   29    6 o  182.431   88.478  -0.6409   0.4626  -0.8056   0.5982  -0.3958   0.7297  205.469   99.872  258.496  121.269 -53.02600 157.1007 
1 1 1    5   29    7 o  455.025  123.840   1.1928   0.5324   0.7020   0.6991   1.8701   0.8213  363.357  142.826  540.578  156.281 -177.2207 211.7151 
1 1 1    5   29    8 o  426.259  143.781   1.1274   0.6687   1.6465   1.1552   0.8658   0.8200  470.784  184.024  385.665  153.699 85.11893 239.7666 
1 1 1    5   29    9 o  731.627  111.091   2.9660   0.7244   2.9381   1.1889   2.9825   0.9135  615.597  190.452  689.401  148.401 -73.80402 241.4431 
1 1 1    5   29   10 o  254.565  117.155  -0.1161   0.6321   1.9790   1.1311  -1.0676   0.7623  486.535  184.155  219.062  107.777 267.4726 213.3751 
1 1 1    5   29   11 o  444.668  145.583   1.3742   0.6867   0.1882   1.1181   2.0924   0.8701  321.969  150.750  528.995  162.815 -207.0268 221.8882 
1 1 1    5   29   12 o  284.900  132.288   0.0997   0.8325   0.0230   1.1135   0.1970   1.2537  302.091  144.085  318.435  152.160 -16.34369 209.5548 
1 1 1    5   29   13 o  343.651  128.161   0.8283   0.5436   0.2063   0.6826   1.9065   0.8987  270.855  123.556  452.892  165.513 -182.0369 206.5444 
1 1 1    5   29   14 o  279.849  121.414   0.4528   0.5793  -0.4898   0.7943   1.5236   0.8467  230.814  112.824  391.536  156.130 -160.7227 192.6289 
1 1 1    5   29   15 o  307.563  148.598   0.9224   1.2739   0.0000   0.0000   0.9224   1.2739  ?   ?   307.563  148.598 0.000000 148.5983 
1 1 1    5   31    0 f  294.210  120.641   0.3285   0.5218   0.4160   0.6959   0.2161   0.7886  326.041  136.973  315.467  139.133 10.57391 195.2428 
1 1 1    5   31    1 o  309.170  126.086   0.3984   0.5661  -0.1059   0.7534   1.0523   0.8578  282.027  129.092  412.022  159.260 -129.9947 205.0089 
1 1 1    5   31    2 o  301.989  123.988   0.3646   0.5520   0.1273   0.7504   0.6444   0.8150  300.823  134.030  360.048  149.506 -59.22543 200.7890 
1 1 1    5   31    3 o  648.901  103.685   2.2725   0.5983   2.9058   0.8184   1.5457   0.8768  706.374  130.725  475.100  164.523 231.2743 210.1353 
1 1 1    5   31    4 o  267.238  116.977   0.1144   0.5480  -0.1001   0.7050   0.4421   0.8711  271.873  124.602  339.295  148.029 -67.42188 193.4893 
1 1 1    5   31    5 o  232.602  107.215  -0.1788   0.5323  -0.3005   0.7278  -0.0389   0.7805  258.535  121.231  285.849  131.043 -27.31412 178.5196 
1 1 1    5   31    6 o  653.033  132.354   2.5843   0.7681   1.5402   1.3144   3.1256   0.9465  433.546  185.424  691.860  152.755 -258.3141 240.2420 
1 1 1    5   31    7 o  640.343  129.564   2.5048   0.7372   5.2686   1.4046   1.4539   0.8661  826.992  188.737  440.184  162.239 386.8088 248.8839 
1 1 1    5   31    8 o  848.096   89.382   3.8685   0.6870   4.3941   0.9358   3.2538   1.0119  854.080  122.583  665.847  165.793 188.2330 206.1888 
1 1 1    5   31    9 o  584.108  120.931   2.1141   0.6286   2.3335   0.8480   1.8467   0.9364  554.752  158.327  459.957  168.820 94.79483 231.4469 
1 1 1    5   31   10 o  164.085   82.572  -1.3233   0.5650  -1.6323   0.6557  -0.4320   1.1137  170.991   86.403  273.189  133.549 -102.1985 159.0625 
1 1 1    5   31   11 o  352.551  138.381   1.0009   0.6554   1.2379   0.7776   0.4192   1.2181  371.346  149.089  303.204  146.197 68.14261 208.8083 
1 1 1    5   31   12 o  519.684  138.254   2.0860   0.6727   3.1129   0.9073   0.8323   1.0024  591.129  161.992  310.111  144.382 281.0185 216.9966 
1 1 1    5   31   13 o  261.205  126.670   0.1287   0.9476   0.8473   1.3369  -0.5966   1.3432  297.198  145.505  254.996  128.187 42.20172 193.9162 
1 1 1    5   33    0 o  232.221  108.250  -0.2074   0.5662  -0.5175   0.7138   0.3189   0.9300  236.303  113.419  318.939  144.997 -82.63539 184.0864 
1 1 1    5   33    1 o  385.641  134.480   0.9735   0.5863   0.9061   0.7537   1.0768   0.9330  368.289  147.161  385.135  159.950 -16.84579 217.3481 
1 1 1    5   33    2 o  406.038  136.747   1.1088   0.6049   0.9578   0.7932   1.3186   0.9349  371.604  150.092  408.366  163.646 -36.76172 222.0533 
1 1 1    5   33    3 o  375.259  144.971   0.9913   0.7105   1.6102   1.2168   0.6712   0.8751  414.964  177.965  338.326  147.966 76.63773 231.4418 
1 1 1    5   33    4 o  531.458  150.303   2.0473   0.7679   2.6256   1.3406   1.7648   0.9368  483.228  195.139  451.151  168.247 32.07764 257.6558 
1 1 1    5   33    5 o  380.937  143.153   1.0843   0.6807   2.6732   0.9888  -0.3471   0.9385  556.613  173.931  265.717  128.174 290.8960 216.0570 
1 1 1    5   33    6 o  376.767  134.842   1.0389   0.5925   1.3757   0.8235   0.6774   0.8531  398.239  155.453  322.211  143.279 76.02734 211.4104 
1 1 1    5   33    7 o  205.980  100.254  -0.5346   0.6082   0.2660   0.8205  -1.5111   0.9062  281.667  130.967  209.852  105.465 71.81506 168.1526 
1 1 1    5   33    8 o  618.454  129.324   2.6747   0.7123   1.7452   0.9170   4.0888   1.1311  403.437  161.925  643.055  182.611 -239.6174 244.0625 
1 1 1    5   33    9 o  212.471  104.148  -0.5111   0.6911  -0.0683   0.7946  -1.8855   1.4000  246.352  118.607  235.798  119.899 10.55344 168.6519 
1 1 1    5   33   10 o  261.077  123.524   0.2891   0.7862   0.6715   1.4272   0.1225   0.9420  288.771  143.068  258.891  125.719 29.87939 190.4566 
1 1 1    5   35    0 o  273.562  126.066   0.2885   0.7353   0.4701   1.0370   0.1049   1.0427  298.157  141.300  279.783  134.994 18.37445 195.4207 
1 1 1    5   35    1 o  350.897  147.045   1.1324   0.7987   1.8780   1.2139   0.5631   1.0607  378.444  169.406  301.650  142.942 76.79413 221.6547 
1 1 1    5   35    2 o  231.476  110.823  -0.1831   0.6721   0.2902   0.9274  -0.7065   0.9754  279.553  132.813  237.965  117.964 41.58829 177.6371 
1 1 1    5   35    3 o  278.129  125.299   0.4538   0.6759   0.5645   0.9016   0.3117   1.0213  292.086  136.302  280.826  135.018 11.26047 191.8543 
1 1 1    5   35    4 o  570.601  142.742   2.5965   0.7476   3.2754   1.0313   1.8446   1.0853  543.516  178.431  369.795  163.152 173.7217 241.7770 
1 1 1    5   35    5 o  236.608  113.150  -0.0225   0.6961  -1.6403   0.8680   2.8943   1.1655  192.299   97.425  435.147  179.583 -242.8478 204.3076 
1 1 1    5   35    6 o  381.373  168.550   2.4081   1.1632   3.3098   1.6677   1.5539   1.6231  361.737  173.553  306.563  152.006 55.17386 230.7088 
1 1 1    5   35    7 o  350.845  170.294   3.4820   1.7230   3.4820   1.7230   0.0000   0.0000  350.845  170.294  ?   ?  0.000000 170.2940 
1 1 1    5   37    0 o  249.006  124.741  -0.0736   1.2185   0.0000   0.0000  -0.0736   1.2185  ?   ?   249.006  124.741 0.000000 124.7409 
1 1 1    6    0    0 o  2567.05   34.720   30.356   0.8198   30.356   0.8198   30.356   0.8198  2567.05   34.720  2567.05   34.720 0.000000 0.000000 
1 1 1    6    0    1 o  533.260   39.517   1.3309   0.1915   1.3309   0.1915   1.3309   0.1915  533.260   39.517  533.260   39.517 0.000000 0.000000 
1 1 1    6    0    2 o  364.099   45.343   0.6385   0.1456   0.6385   0.1456   0.6385   0.1456  364.099   45.343  364.099   45.343 0.000000 0.000000 
1 1 1    6    0    3 o  1473.22   37.484   10.015   0.5074   10.015   0.5074   10.015   0.5074  1473.22   37.484  1473.22   37.484 0.000000 0.000000 
1 1 1    6    0    4 o  1121.59   40.706   5.8183   0.4188   5.8183   0.4188   5.8183   0.4188  1121.59   40.706  1121.59   40.706 0.000000 0.000000 
1 1 1    6    0    5 o  3138.84   40.973   45.414   1.1829   45.414   1.1829   45.414   1.1829  3138.84   40.973  3138.84   40.973 0.000000 0.000000 
1 1 1    6    0    6 o  109.504   71.427  -0.0192   0.1755  -0.0192   0.1755  -0.0192   0.1755  109.504   71.427  109.504   71.427 0.000000 0.000000 
1 1 1    6    0    7 o  727.354   54.301   2.4788   0.3588   2.4788   0.3588   2.4788   0.3588  727.354   54.301  727.354   54.301 0.000000 0.000000 
1 1 1    6    0    8 o   91.079   65.099  -0.3805   0.2481  -0.3805   0.2481  -0.3805   0.2481   91.079   65.099   91.079   65.099 0.000000 0.000000 
1 1 1    6    0    9 o  2297.50   69.187   24.452   1.4597   24.452   1.4597   24.452   1.4597  2297.50   69.187  2297.50   69.187 0.000000 0.000000 
1 1 1    6    0   10 o  530.333   69.091   1.3663   0.3213   1.3663   0.3213   1.3663   0.3213  530.333   69.091  530.333   69.091 0.000000 0.000000 
1 1 1    6    0   11 o  1978.77   40.889   18.102   0.7438   18.102   0.7438   18.102   0.7438  1978.77   40.889  1978.77   40.889 0.000000 0.000000 
1 1 1    6    0   12 o  107.776   76.443  -0.4086   0.3186  -0.4086   0.3186  -0.4086   0.3186  107.776   76.443  107.776   76.443 0.000000 0.000000 
1 1 1    6    0   13 o  128.486   85.239  -0.0604   0.2668  -0.0604   0.2668  -0.0604   0.2668  128.486   85.239  128.486   85.239 0.000000 0.000000 
1 1 1    6    0   14 o  1359.93   46.835   8.6204   0.5845   8.6204   0.5845   8.6204   0.5845  1359.93   46.835  1359.93   46.835 0.000000 0.000000 
1 1 1    6    0   15 o  144.947   94.270  -0.0036   0.3026  -0.0036   0.3026  -0.0036   0.3026  144.947   94.270  144.947   94.270 0.000000 0.000000 
1 1 1    6    0   16 o  1555.69   49.105   11.294   0.7013   11.294   0.7013   11.294   0.7013  1555.69   49.105  1555.69   49.105 0.000000 0.000000 
1 1 1    6    0   17 o  369.842  122.517   0.8406   0.3708   0.8406   0.3708   0.8406   0.3708  369.842  122.517  369.842  122.517 0.000000 0.000000 
1 1 1    6    0   18 o  992.956   60.501   4.6554   0.5481   4.6554   0.5481   4.6554   0.5481  992.956   60.501  992.956   60.501 0.000000 0.000000 
1 1 1    6    0   19 o  741.880   74.902   2.6592   0.4994   2.6592   0.4994   2.6592   0.4994  741.880   74.902  741.880   74.902 0.000000 0.000000 
1 1 1    6    0   20 o  914.591   97.577   4.1050   0.7976   4.1050   0.7976   4.1050   0.7976  914.591   97.577  914.591   97.577 0.000000 0.000000 
1 1 1    6    0   21 o  691.125   88.911   2.3689   0.5397   2.3689   0.5397   2.3689   0.5397  691.125   88.911  691.125   88.911 0.000000 0.000000 
1 1 1    6    0   22 o  158.104  106.707  -0.1595   0.4514  -0.1595   0.4514  -0.1595   0.4514  158.104  106.707  158.104  106.707 0.000000 0.000000 
1 1 1    6    0   23 o  170.523  117.705  -0.3577   0.6201  -0.3577   0.6201  -0.3577   0.6201  170.523  117.705  170.523  117.705 0.000000 0.000000 
1 1 1    6    0   24 o  166.363  112.951  -0.1670   0.5209  -0.1670   0.5209  -0.1670   0.5209  166.363  112.951  166.363  112.951 0.000000 0.000000 
1 1 1    6    2    0 o  1730.79   37.654   13.805   0.5997   13.523   0.8420   14.095   0.8543  1711.59   53.464  1747.45   53.129 -35.86499 75.37267 
1 1 1    6    2    1 o  1513.78   29.514   10.554   0.4111   10.304   0.4856   11.188   0.7725  1495.37   35.290  1556.66   53.934 -61.29529 64.45328 
1 1 1    6    2    2 o  1240.23   25.720   7.0832   0.2935   6.9616   0.4111   7.2097   0.4192  1228.98   36.351  1250.69   36.429 -21.71008 51.46314 
1 1 1    6    2    3 o  1743.83   26.580   14.006   0.4265   13.922   0.6002   14.092   0.6062  1737.65   37.536  1748.20   37.685 -10.55103 53.18941 
1 1 1    6    2    4 o  895.891   29.955   3.6983   0.2469   3.8856   0.3573   3.5272   0.3416  917.596   42.320  874.243   42.469 43.35364 59.95503 
1 1 1    6    2    5 o  1679.76   27.243   12.998   0.4211   12.872   0.5517   13.173   0.6517  1670.89   35.886  1689.59   41.915 -18.70349 55.17856 
1 1 1    6    2    6 o  1959.88   26.159   17.690   0.4717   17.317   0.6435   18.123   0.6937  1938.27   36.078  1982.61   38.024 -44.33728 52.41564 
1 1 1    6    2    7 o  1482.70   28.121   10.125   0.3837   10.285   0.5387   9.9598   0.5465  1493.67   39.197  1469.77   40.410 23.89429 56.29709 
1 1 1    6    2    8 o  1635.48   28.749   12.321   0.4326   11.999   0.6078   12.650   0.6159  1613.07   40.951  1656.29   40.414 -43.21606 57.53524 
1 1 1    6    2    9 o  481.636   49.229   1.0834   0.2151   1.4408   0.3626   0.8893   0.2672  552.022   73.189  432.315   69.527 119.7074 100.9488 
1 1 1    6    2   10 o  1599.02   35.714   11.812   0.5255   11.273   0.7873   12.244   0.7057  1557.83   54.924  1625.60   47.176 -67.76880 72.40294 
1 1 1    6    2   11 o  1582.75   33.144   11.587   0.4827   11.301   0.6688   11.898   0.6974  1559.06   46.618  1599.40   47.390 -40.33398 66.47535 
1 1 1    6    2   12 o  778.099   45.208   2.8321   0.3223   2.4570   0.4867   3.1249   0.4301  714.119   75.199  813.325   57.844 -99.20575 94.87254 
1 1 1    6    2   13 o  803.064   40.735   3.0162   0.3000   3.3351   0.4691   2.7955   0.3903  836.117   61.397  767.629   55.634 68.48798 82.85400 
1 1 1    6    2   14 o  850.995   41.280   3.3890   0.3232   3.7724   0.4952   3.1044   0.4267  887.167   61.032  806.065   57.914 81.10175 84.13673 
1 1 1    6    2   15 o  573.451   55.500   1.5766   0.2892   0.9695   0.4148   2.1511   0.4034  425.945  106.193  664.935   66.843 -238.9902 125.4790 
1 1 1    6    2   16 o  1008.98   40.930   4.7695   0.3800   4.6930   0.5549   4.8369   0.5215  988.218   61.327  1006.51   56.532 -18.28784 83.40807 
1 1 1    6    2   17 o  406.817   76.483   0.8307   0.2758   0.4366   0.3866   1.2390   0.3935  302.371  108.850  492.015   90.250 -189.6441 141.3981 
1 1 1    6    2   18 o  824.166   49.098   3.2098   0.3707   4.1508   0.5641   2.4949   0.4917  927.731   66.519  712.961   76.127 214.7695 101.0948 
1 1 1    6    2   19 o  847.855   48.949   3.3874   0.3803   3.3722   0.5501   3.4013   0.5263  834.464   72.352  840.138   68.676 -5.673889 99.75598 
1 1 1    6    2   20 o  995.694   54.237   4.6918   0.4950   5.0735   0.7354   4.3755   0.6695  1020.00   78.967  947.908   77.428 72.08948 110.5930 
1 1 1    6    2   21 o  792.148   56.870   2.9929   0.4118   2.5471   0.5674   3.4890   0.5985  712.927   88.385  842.884   78.057 -129.9565 117.9180 
1 1 1    6    2   22 o  225.148   97.886   0.0227   0.3781   0.0305   0.5140   0.0134   0.5581  256.987  112.870  263.796  116.662 -6.808868 162.3264 
1 1 1    6    2   23 o  205.719   94.753  -0.1836   0.4146   0.3838   0.6136  -0.6605   0.5625  308.535  129.055  203.384   98.380 105.1514 162.2769 
1 1 1    6    2   24 o  750.628   69.104   2.8574   0.4719   2.3908   0.6710   3.3142   0.6639  632.088  119.751  779.001   94.558 -146.9128 152.5827 
1 1 1    6    4    0 o  373.930   35.141   0.6500   0.1195   0.6271   0.1341   0.7381   0.2630  366.585   40.441  392.583   75.534 -25.99832 85.67934 
1 1 1    6    4    1 o  1060.29   42.092   5.1850   0.4107   5.0880   0.5820   5.2812   0.5795  1047.22   60.661  1067.18   59.250 -19.95764 84.79526 
1 1 1    6    4    2 o  1762.33   26.223   14.304   0.4252   14.093   0.4736   15.183   0.9658  1749.03   29.428  1811.96   57.925 -62.93140 64.97197 
1 1 1    6    4    3 o  2656.69   21.695   32.498   0.5304   32.530   0.7429   32.465   0.7574  2656.99   30.387  2654.26   31.009 2.726563 43.41577 
1 1 1    6    4    4 o  651.125   26.210   1.9529   0.1570   1.8307   0.2206   2.0783   0.2236  628.857   38.308  670.368   36.383 -41.51123 52.83142 
1 1 1    6    4    5 o  1277.66   25.070   7.5180   0.2947   7.9119   0.4251   7.1534   0.4090  1310.06   35.265  1245.66   35.684 64.40784 50.16913 
1 1 1    6    4    6 o  684.070   33.276   2.1562   0.2095   1.8439   0.2633   2.6947   0.3457  630.534   45.688  762.456   49.547 -131.9216 67.39601 
1 1 1    6    4    7 o  1940.78   26.961   17.346   0.4815   16.697   0.6684   18.047   0.6942  1903.21   38.165  1978.64   38.130 -75.43250 53.94820 
1 1 1    6    4    8 o  1622.29   31.581   12.127   0.4714   12.082   0.7499   12.156   0.6062  1617.39   50.385  1623.46   40.581 -6.071045 64.69517 
1 1 1    6    4    9 o  497.918   43.879   1.1544   0.1990   1.6252   0.3032   0.7981   0.2637  589.542   56.581  408.098   72.911 181.4437 92.28992 
1 1 1    6    4   10 o  459.844   65.596   1.0069   0.2697   0.8545   0.3776   1.1657   0.3853  415.509   99.974  489.399   88.837 -73.89084 133.7419 
1 1 1    6    4   11 o  952.089   41.088   4.2079   0.3600   4.3375   0.4721   4.0279   0.5563  962.246   53.531  922.892   65.944 39.35455 84.93686 
1 1 1    6    4   12 o  139.971   66.165  -0.2461   0.2246  -0.5150   0.3671  -0.0851   0.2840  167.328   80.573  185.309   82.521 -17.98117 115.3330 
1 1 1    6    4   13 o  138.523   64.740  -0.1838   0.2046   0.1852   0.3115  -0.4637   0.2713  239.782   94.994  136.738   66.642 103.0435 116.0389 
1 1 1    6    4   14 o  635.206   48.626   1.9121   0.2821   2.0228   0.4341   1.8312   0.3710  641.058   75.012  613.759   66.777 27.29944 100.4288 
1 1 1    6    4   15 o  986.782   42.046   4.5670   0.3818   5.2374   0.5970   4.1031   0.4966  1043.18   62.483  925.415   58.620 117.7668 85.67642 
1 1 1    6    4   16 o  587.551   56.779   1.6579   0.3031   1.6084   0.4523   1.6983   0.4085  561.286   90.655  584.329   77.917 -23.04218 119.5385 
1 1 1    6    4   17 o  190.213   81.376   0.0226   0.2533   0.3142   0.3964  -0.1785   0.3293  279.164  108.164  185.646   85.111 93.51799 137.6351 
1 1 1    6    4   18 o  430.156   80.374   0.9289   0.3064   2.1500   0.4935   0.1628   0.3909  657.459   83.459  252.658  104.107 404.8012 133.4304 
1 1 1    6    4   19 o  403.309   98.310   0.8406   0.3615   0.5704   0.5077   1.1185   0.5149  344.381  124.623  456.382  120.749 -112.0006 173.5260 
1 1 1    6    4   20 o  367.741   99.912   0.7008   0.3469  -0.0537   0.4841   1.4969   0.4973  245.436  108.592  537.866  104.238 -292.4302 150.5245 
1 1 1    6    4   21 o  1256.90   64.304   7.5906   0.7412   6.7986   1.3596   7.9255   0.8842  1112.49  135.624  1274.02   75.763 -161.5320 155.3506 
1 1 1    6    4   22 o  288.167  115.736   0.3208   0.4688   0.8049   0.9028   0.1420   0.5485  390.865  159.295  276.079  118.962 114.7858 198.8136 
1 1 1    6    4   23 f  561.277  102.952   1.7248   0.5121   1.6720   0.8511   1.7548   0.6412  488.707  162.176  539.887  130.509 -51.17999 208.1674 
1 1 1    6    4   24 o  728.634   73.899   2.7370   0.4886   3.5781   0.7765   2.1857   0.6287  785.981  110.405  604.645  117.230 181.3358 161.0347 
1 1 1    6    6    0 o  1326.44   43.966   8.1191   0.5366   7.8724   0.7455   8.3844   0.7730  1304.18   62.122  1345.89   62.420 -41.70813 88.06477 
1 1 1    6    6    1 o  3155.90   30.458   45.892   0.8845   46.463   1.0369   44.366   1.6949  3174.62   35.494  3096.42   59.487 78.20459 69.27191 
1 1 1    6    6    2 o  1405.76   23.490   9.1005   0.3038   9.4962   0.3903   8.4919   0.4841  1435.61   29.548  1356.85   38.770 78.75464 48.74660 
1 1 1    6    6    3 o  2433.50   21.808   27.268   0.4883   27.582   0.6926   26.957   0.6887  2446.50   30.764  2418.60   30.943 27.89282 43.63384 
1 1 1    6    6    4 o  361.794   34.424   0.6088   0.1132   0.6398   0.1630   0.5800   0.1573  368.952   49.255  350.835   50.167 18.11670 70.30431 
1 1 1    6    6    5 o  1968.46   24.595   17.843   0.4455   17.857   0.6312   17.829   0.6289  1968.39   34.848  1966.86   34.746 1.528564 49.21101 
1 1 1    6    6    6 o  951.820   28.369   4.1725   0.2485   4.2976   0.3563   4.0542   0.3466  965.468   40.109  937.736   40.173 27.73163 56.76818 
1 1 1    6    6    7 o  2965.92   28.938   40.519   0.7898   41.022   1.2642   40.198   1.0114  2981.58   46.080  2953.00   37.221 28.58521 59.23471 
1 1 1    6    6    8 o  1441.03   29.526   9.5693   0.3915   9.5122   0.5575   9.6249   0.5499  1435.51   42.208  1444.08   41.384 -8.577148 59.11115 
1 1 1    6    6    9 o  1069.61   33.135   5.2803   0.3261   5.6285   0.4740   4.9673   0.4494  1102.60   46.721  1035.76   47.150 66.83936 66.37714 
1 1 1    6    6   10 o  1087.21   49.665   5.4975   0.4969   5.1155   0.5902   6.4272   0.9207  1043.98   61.709  1159.85   86.897 -115.8691 106.5794 
1 1 1    6    6   11 f  621.622   45.691   1.8093   0.2595   1.8872   0.3712   1.7349   0.3630  629.448   65.028  602.781   66.546 26.66785 93.04352 
1 1 1    6    6   12 o  443.387   61.293   0.9468   0.2434   0.7905   0.3467   1.0987   0.3418  393.155   96.531  470.759   81.876 -77.60410 126.5779 
1 1 1    6    6   13 o  608.213   60.214   1.7761   0.3326   1.8571   0.4885   1.7061   0.4540  607.167   90.182  583.113   87.296 24.05322 125.5129 
1 1 1    6    6   14 f  611.705   52.985   1.7856   0.2953   1.4541   0.4112   2.1385   0.4243  535.950   86.309  660.958   70.874 -125.0083 111.6798 
1 1 1    6    6   15 o  842.578   45.092   3.3490   0.3483   4.1401   0.5459   2.8055   0.4524  925.507   64.500  760.677   65.269 164.8295 91.76234 
1 1 1    6    6   16 o  230.443   89.639   0.1927   0.2731  -0.1893   0.4479   0.4186   0.3445  218.502   99.836  293.625  103.047 -75.12332 143.4777 
1 1 1    6    6   17 o  732.227   61.378   2.5807   0.4097   2.2141   0.8152   2.7046   0.4739  618.589  145.631  744.893   69.966 -126.3044 161.5661 
1 1 1    6    6   18 o  896.913   56.046   3.8254   0.4602   4.2374   0.8040   3.6247   0.5613  915.836   96.880  864.436   71.198 51.40021 120.2286 
1 1 1    6    6   19 o  457.783   97.761   1.0773   0.3993   1.3337   0.6536   0.9247   0.5043  489.501  138.752  415.282  123.146 74.21924 185.5186 
1 1 1    6    6   20 o  513.988   74.745   1.3001   0.3432   1.2501   0.4978   1.3453   0.4736  484.939  113.564  508.297  104.752 -23.35794 154.4981 
1 1 1    6    6   21 o  682.634   90.281   2.3588   0.5532   1.5643   0.6966   3.7150   0.9101  519.830  141.736  829.507  122.959 -309.6768 187.6378 
1 1 1    6    6   22 o  208.950   91.621  -0.0064   0.3375  -0.0537   0.4929   0.0353   0.4630  240.964  107.900  245.013  107.379 -4.049179 152.2259 
1 1 1    6    6   23 o  323.847  118.792   0.5822   0.4635   0.5691   0.7066   0.5921   0.6142  334.265  139.040  331.975  132.776 2.289612 192.2542 
1 1 1    6    6   24 o  510.161  101.283   1.4893   0.4587   2.2920   0.7187   0.9376   0.5958  592.440  134.859  371.578  134.924 220.8623 190.7657 
1 1 1    6    8    0 o  1521.01   32.778   10.663   0.4588   10.813   0.5318   10.229   0.9067  1531.17   37.748  1485.55   66.332 45.62012 76.32092 
1 1 1    6    8    1 o  1399.69   33.124   9.0302   0.4266   9.1943   0.4951   8.5572   0.8407  1411.92   38.108  1358.64   67.249 53.28552 77.29620 
1 1 1    6    8    2 o  1004.83   29.267   4.6519   0.2706   4.6021   0.3808   4.7027   0.3847  998.733   41.432  1009.60   41.407 -10.86517 58.57563 
1 1 1    6    8    3 o  3202.77   24.810   47.238   0.7312   47.303   0.9312   47.133   1.1808  3204.05   31.584  3196.81   40.142 7.244141 51.07790 
1 1 1    6    8    4 o  2353.76   26.321   25.513   0.5701   25.273   0.7242   25.905   0.9243  2341.94   33.607  2369.98   42.384 -28.03979 54.09077 
1 1 1    6    8    5 o  2411.90   24.696   26.786   0.5481   25.426   0.7548   28.302   0.7972  2348.94   34.922  2478.26   34.957 -129.3188 49.41151 
1 1 1    6    8    6 o  636.062   35.603   1.8705   0.2075   2.0183   0.3374   1.7805   0.2632  658.505   56.215  619.421   46.526 39.08362 72.97150 
1 1 1    6    8    7 o  2696.86   27.001   33.505   0.6700   33.604   0.9509   33.407   0.9443  2699.13   38.286  2691.21   38.133 7.918945 54.03618 
1 1 1    6    8    8 o  2271.61   28.432   23.791   0.5943   23.831   0.8423   23.751   0.8387  2271.13   40.305  2267.32   40.198 3.802979 56.92421 
1 1 1    6    8    9 o  1011.35   37.422   4.7316   0.3482   4.4681   0.4419   5.1636   0.5657  980.881   48.959  1050.75   58.749 -69.87201 76.47478 
1 1 1    6    8   10 o  1238.36   41.172   7.1207   0.4692   7.5445   0.6657   6.7025   0.6613  1269.36   56.992  1193.72   60.401 75.63953 83.04438 
1 1 1    6    8   11 o  466.509   56.447   1.0376   0.2374   0.7250   0.3354   1.3515   0.3360  377.744   96.216  528.487   70.891 -150.7437 119.5117 
1 1 1    6    8   12 o  1352.95   45.184   8.5742   0.5625   9.8811   1.1800   8.1899   0.6399  1411.90   91.316  1318.02   52.763 93.87561 105.4630 
1 1 1    6    8   13 o  269.354   95.339   0.3369   0.2954   0.8980   0.5313   0.0858   0.3554  404.225  127.672  230.907   97.493 173.3181 160.6398 
1 1 1    6    8   14 o  201.327   81.965   0.1026   0.2387   0.3658   0.3579  -0.1084   0.3204  283.123  104.299  191.331   86.224 91.79173 135.3251 
1 1 1    6    8   15 o  577.618   59.614   1.6110   0.3123   1.9392   0.4520   1.3114   0.4319  622.761   80.789  501.621   97.089 121.1403 126.3059 
1 1 1    6    8   16 o  499.367   68.262   1.2247   0.3055   1.4065   0.4529   1.0730   0.4137  519.599   98.331  450.281  102.186 69.31766 141.8126 
1 1 1    6    8   17 o  509.139   67.923   1.2680   0.3103   1.1333   0.4542   1.3859   0.4249  460.960  108.824  520.623   92.057 -59.66245 142.5382 
1 1 1    6    8   18 o  484.184   79.358   1.1653   0.3413   0.9153   0.4873   1.4062   0.4782  412.578  120.691  520.667  103.464 -108.0892 158.9683 
1 1 1    6    8   19 o  930.063   51.198   4.0843   0.4365   4.2791   0.6697   3.9405   0.5755  936.270   78.462  903.705   69.742 32.56488 104.9774 
1 1 1    6    8   20 o  712.584   61.452   2.4378   0.3990   3.8329   0.6591   1.6306   0.5013  881.119   82.238  562.048  100.626 319.0705 129.9563 
1 1 1    6    8   21 o  369.887  121.564   0.7436   0.4786   0.2260   0.5856   1.7852   0.8307  294.764  124.836  537.998  157.642 -243.2343 201.0847 
1 1 1    6    8   22 o  387.072  104.341   0.8264   0.3801   1.0840   0.5366   0.5670   0.5384  428.796  126.993  331.121  126.642 97.67581 179.3470 
1 1 1    6    8   23 o  264.840  111.691   0.2452   0.4656   0.5277   0.7556   0.0722   0.5912  327.069  140.254  262.795  117.889 64.27417 183.2186 
1 1 1    6    8   24 o  236.495  102.728   0.1432   0.4157   0.2813   0.6231   0.0324   0.5580  279.133  123.365  246.238  112.088 32.89519 166.6814 
1 1 1    6   10    0 o  497.187   36.401   1.1455   0.1654   1.1406   0.2381   1.1501   0.2299  494.091   53.202  496.469   51.053 -2.378143 73.73490 
1 1 1    6   10    1 o  1123.19   30.019   5.8115   0.3102   5.5410   0.4367   6.0873   0.4409  1096.00   43.299  1148.86   41.705 -52.86694 60.11720 
1 1 1    6   10    2 o  804.187   32.598   2.9797   0.2412   3.0180   0.3440   2.9426   0.3384  807.421   46.497  797.251   46.322 10.17053 65.63345 
1 1 1    6   10    3 o  3182.08   29.369   46.639   0.8600   45.239   1.1771   48.242   1.2594  3132.31   40.838  3234.31   42.318 -102.0088 58.80959 
1 1 1    6   10    4 o  988.580   45.166   4.5087   0.4109   4.5848   0.5899   4.4370   0.5726  993.357   64.892  977.284   64.025 16.07361 91.15974 
1 1 1    6   10    5 o  1950.68   31.788   17.533   0.5706   17.790   0.7901   17.253   0.8248  1963.58   43.730  1933.41   46.363 30.17749 63.73238 
1 1 1    6   10    6 o  1017.71   32.685   4.7748   0.3061   4.9565   0.3963   4.5062   0.4818  1036.25   41.564  985.600   53.329 50.64581 67.61279 
1 1 1    6   10    7 o  361.497   61.803   0.6239   0.1982   0.6956   0.2770   0.5488   0.2836  378.410   81.938  335.946   89.962 42.46432 121.6843 
1 1 1    6   10    8 o  662.613   53.138   2.0548   0.3213   1.9394   0.5509   2.1142   0.3955  631.020   98.053  669.431   65.025 -38.41022 117.6550 
1 1 1    6   10    9 o  364.702   65.133   0.6433   0.2106   0.4582   0.3582   0.7411   0.2603  313.284  105.228  389.393   75.369 -76.10892 129.4347 
1 1 1    6   10   10 o  891.804   46.744   3.7232   0.3822   3.7020   0.5374   3.7450   0.5439  881.448   66.747  886.380   67.180 -4.931824 94.70152 
1 1 1    6   10   11 f  187.090   75.151   0.0902   0.1977  -0.1536   0.2924   0.2956   0.2683  177.695   80.983  256.931   90.869 -79.23518 121.7184 
1 1 1    6   10   12 o  913.933   41.771   3.9105   0.3513   4.0194   0.5068   3.8099   0.4874  916.179   60.454  892.320   59.699 23.85931 84.96304 
1 1 1    6   10   13 o  442.786   80.656   0.9910   0.3165   0.8545   0.4651   1.1088   0.4320  394.965  118.523  456.112  105.082 -61.14761 158.3985 
1 1 1    6   10   14 o  451.788   67.854   1.0065   0.2734   1.3775   0.3869   0.6365   0.3863  521.888   83.365  346.212  108.808 175.6766 137.0724 
1 1 1    6   10   15 o  671.679   55.991   2.1627   0.3429   1.9875   0.4905   2.3302   0.4796  626.165   87.513  685.277   77.416 -59.11200 116.8407 
1 1 1    6   10   16 o  848.052   51.566   3.4167   0.4005   3.1006   0.5514   3.7698   0.5827  792.889   76.523  877.531   72.816 -84.64191 105.6316 
1 1 1    6   10   17 o  616.008   63.439   1.8328   0.3544   1.6283   0.4878   2.0614   0.5159  562.639   97.778  639.122   90.225 -76.48315 133.0455 
1 1 1    6   10   18 o  375.723  102.310   0.7356   0.3633   0.4954   0.5840   0.8872   0.4639  338.567  131.257  407.637  117.340 -69.06921 176.0593 
1 1 1    6   10   19 o  285.017   97.337   0.3892   0.3065   0.4579   0.4592   0.3339   0.4117  317.242  117.895  287.511  110.549 29.73105 161.6176 
1 1 1    6   10   20 o  378.086  107.419   0.7613   0.3913   1.1362   0.5465   0.3669   0.5605  451.881  126.445  312.498  126.184 139.3834 178.6360 
1 1 1    6   10   21 o  450.300  112.287   1.1195   0.4637   1.5591   0.6708   0.7173   0.6417  512.031  138.861  365.649  138.628 146.3813 196.2147 
1 1 1    6   10   22 o  202.483   91.965  -0.1079   0.3730  -0.2753   0.5461   0.0385   0.5106  226.714  105.892  250.224  111.075 -23.50957 153.4623 
1 1 1    6   10   23 o  228.079  100.954   0.0530   0.4188   0.0766   0.6155   0.0327   0.5715  262.664  118.837  252.124  114.249 10.54060 164.8491 
1 1 1    6   12    0 o  1247.79   32.284   7.1732   0.3707   6.7379   0.5119   7.6532   0.5375  1208.47   46.034  1288.00   45.348 -79.52405 64.61922 
1 1 1    6   12    1 o  1369.09   32.032   8.6358   0.4035   8.1524   0.5638   9.1438   0.5779  1329.24   46.092  1407.87   44.607 -78.63196 64.14277 
1 1 1    6   12    2 o  1964.64   35.035   17.789   0.6334   16.148   0.9887   18.931   0.8248  1869.09   57.489  2025.68   44.249 -156.5963 72.54642 
1 1 1    6   12    3 o  1252.54   48.006   7.2438   0.5533   0.0000   0.0000   7.2438   0.5533  ?   ?   1252.54   48.006 0.000000 48.00616 
1 1 1    6   12    4 o  1263.60   41.047   7.3687   0.4773   6.8948   0.8500   7.5869   0.5768  1215.40   76.390  1281.35   48.919 -65.95679 90.71081 
1 1 1    6   12    5 o  402.556   56.797   0.7657   0.2045   0.7775   0.2830   0.7529   0.2959  401.314   79.455  393.987   84.185 7.327515 115.7593 
1 1 1    6   12    6 o  1810.50   35.293   15.141   0.5880   16.405   0.8563   14.014   0.8088  1880.93   49.475  1738.19   50.565 142.7463 70.74335 
1 1 1    6   12    7 o  1123.02   38.907   5.8408   0.4020   6.0681   0.4681   5.2014   0.7850  1143.51   44.487  1044.96   82.310 98.54224 93.56287 
1 1 1    6   12    8 o  627.816   45.236   1.8434   0.2596   1.9000   0.3411   1.7654   0.4000  633.855   59.173  606.445   73.167 27.41034 94.10012 
1 1 1    6   12    9 o  205.868   77.648   0.1550   0.2007   0.0900   0.2613   0.2485   0.3132  208.503   85.420  255.712   96.881 -47.20869 129.1606 
1 1 1    6   12   10 o  1110.28   44.307   5.7671   0.4527   6.2232   0.6487   5.3342   0.6319  1142.86   61.916  1055.75   65.372 87.10352 90.03935 
1 1 1    6   12   11 o  594.747   49.866   1.6789   0.2704   1.3996   0.3703   1.9979   0.3957  530.879   78.142  641.065   68.126 -110.1863 103.6695 
1 1 1    6   12   12 o  186.488   77.928   0.0561   0.2234   0.0467   0.3269   0.0644   0.3061  216.153   92.458  213.337   90.293 2.816910 129.2334 
1 1 1    6   12   13 o  307.856   99.133   0.4873   0.3191   0.2889   0.4539   0.6813   0.4488  282.368  113.714  356.287  117.746 -73.91873 163.6919 
1 1 1    6   12   14 o  342.233   83.473   0.6034   0.2605   0.6525   0.3756   0.5578   0.3616  349.824  106.856  326.730  105.562 23.09363 150.2051 
1 1 1    6   12   15 o  977.289   46.649   4.5029   0.4195   4.0257   0.5856   5.0060   0.6013  907.727   70.664  1017.52   64.552 -109.7973 95.70984 
1 1 1    6   12   16 o  823.440   52.620   3.2231   0.3966   3.4783   0.5794   2.9980   0.5441  841.542   75.625  780.124   76.793 61.41852 107.7792 
1 1 1    6   12   17 o  775.048   61.619   2.8793   0.4358   3.0498   0.7405   2.7890   0.5391  767.954  107.756  753.211   78.954 14.74261 133.5853 
1 1 1    6   12   18 o  327.164  100.200   0.5471   0.3300   0.4683   0.4594   0.6311   0.4744  319.303  118.071  352.350  121.078 -33.04761 169.1171 
1 1 1    6   12   19 o  479.167   88.847   1.1683   0.3773   0.9996   0.5174   1.3600   0.5514  426.741  124.231  499.365  121.228 -72.62311 173.5786 
1 1 1    6   12   20 o  520.086   94.608   1.4052   0.4361   1.2256   0.5648   1.6702   0.6862  464.225  128.059  535.445  138.301 -71.22070 188.4845 
1 1 1    6   12   21 f  692.046   82.288   2.4452   0.5137   3.1262   0.7902   1.9466   0.6761  746.536  119.034  574.959  130.750 171.5775 176.8178 
1 1 1    6   12   22 o  453.287  103.323   1.1652   0.4214   1.1834   0.6370   1.1511   0.5619  421.123  140.324  424.836  130.850 -3.712250 191.8664 
1 1 1    6   12   23 o  265.439  108.855   0.3313   0.4249   0.4781   0.6336   0.2113   0.5727  301.241  128.783  266.078  117.900 35.16376 174.6008 
1 1 1    6   14    0 o  2319.90   36.436   24.825   0.7778   25.399   1.2734   24.483   0.9823  2341.72   59.096  2302.05   46.374 39.67065 75.11923 
1 1 1    6   14    1 o  1359.94   38.632   8.5352   0.4834   9.3450   0.8095   8.0863   0.6027  1419.55   61.970  1322.38   49.533 97.17444 79.33371 
1 1 1    6   14    2 o  707.024   41.764   2.3172   0.2705   2.0412   0.3850   2.5863   0.3802  659.894   64.214  745.006   55.863 -85.11157 85.11264 
1 1 1    6   14    3 o  621.737   44.779   1.7974   0.2545   1.5994   0.3600   1.9950   0.3597  582.008   68.540  652.497   60.605 -70.48926 91.49137 
1 1 1    6   14    4 o  1193.38   37.002   6.5826   0.4063   6.7648   0.5709   6.3956   0.5785  1207.21   51.392  1173.35   53.577 33.85730 74.23980 
1 1 1    6   14    5 o  739.024   50.179   2.5509   0.3392   2.7702   0.4288   2.1840   0.5546  767.563   61.218  671.446   92.192 96.11731 110.6659 
1 1 1    6   14    6 o  506.851   65.486   1.2270   0.2983   1.6820   0.3847   0.5409   0.4724  592.657   72.017  343.981  120.667 248.6755 140.5238 
1 1 1    6   14    7 o  532.454   54.420   1.3417   0.2629   1.7881   0.3917   0.9758   0.3546  610.042   71.112  442.207   90.203 167.8343 114.8631 
1 1 1    6   14    8 o  307.065   84.328   0.4723   0.2456   0.8328   0.3441   0.0981   0.3506  404.550   94.185  234.728   97.812 169.8221 135.7866 
1 1 1    6   14    9 o  326.447   77.566   0.5362   0.2296   0.3049   0.2885   0.9356   0.3790  261.861   94.049  424.965   98.804 -163.1041 136.4089 
1 1 1    6   14   10 o  459.880   73.073   1.0479   0.2989   1.5475   0.4293   0.5780   0.4164  553.282   87.211  335.583  113.451 217.6998 143.0975 
1 1 1    6   14   11 o  382.109   76.518   0.7379   0.2597   1.0576   0.3629   0.4024   0.3717  452.451   90.320  292.187  106.499 160.2641 139.6416 
1 1 1    6   14   12 o  241.980   97.780   0.1843   0.3368   0.5773   0.4499  -0.3168   0.5081  334.070  117.719  220.329  102.651 113.7405 156.1886 
1 1 1    6   14   13 o  674.388   59.260   2.1942   0.3640   2.2347   0.4726   2.1352   0.5708  669.507   78.181  639.070  100.377 30.43640 127.2308 
1 1 1    6   14   14 o  644.260   57.043   1.9960   0.3347   1.7370   0.4619   2.2823   0.4856  583.276   88.864  676.080   79.583 -92.80450 119.2905 
1 1 1    6   14   15 o  241.904   91.621   0.2367   0.2801   0.3922   0.4264   0.1185   0.3715  297.397  112.942  239.252  100.274 58.14546 151.0328 
1 1 1    6   14   16 o  1109.98   47.479   5.7965   0.4849   5.1588   0.6812   6.4516   0.6905  1030.11   72.330  1158.28   65.046 -128.1691 97.27551 
1 1 1    6   14   17 o  746.546   65.501   2.6862   0.4454   2.2068   0.7182   2.9858   0.5678  638.304  126.743  778.706   80.399 -140.4016 150.0929 
1 1 1    6   14   18 o  662.838   67.676   2.1321   0.4070   2.4440   0.5849   1.8394   0.5666  694.372   93.959  592.479  107.909 101.8932 143.0825 
1 1 1    6   14   19 o  382.442  113.151   0.7934   0.4261   1.0240   0.5300   0.3718   0.7167  427.208  126.130  330.940  139.016 96.26743 187.7082 
1 1 1    6   14   20 o  789.444   66.487   3.0589   0.4785   2.6618   0.6493   3.5309   0.7079  706.792  102.845  822.762   95.263 -115.9695 140.1864 
1 1 1    6   14   21 f  692.068   94.621   2.5693   0.5868   3.8546   0.8484   1.3907   0.8124  822.859  115.210  443.286  157.976 379.5733 195.5242 
1 1 1    6   14   22 o  372.943  112.279   0.8522   0.4169   1.5727   0.6103   0.2218   0.5709  487.142  132.598  269.716  118.692 217.4258 177.9606 
1 1 1    6   16    0 o  573.380   50.724   1.5392   0.2649   1.0550   0.3527   2.1650   0.4010  465.571   85.488  677.482   65.132 -211.9113 107.4728 
1 1 1    6   16    1 o  791.534   43.178   2.9130   0.3133   3.2069   0.4546   2.6472   0.4324  826.663   60.173  749.864   63.255 76.79858 87.30434 
1 1 1    6   16    2 o  1780.79   35.827   14.675   0.5871   14.838   0.8367   14.518   0.8239  1785.36   50.934  1766.09   50.697 19.26843 71.86369 
1 1 1    6   16    3 o  1888.10   40.323   16.538   0.7006   17.425   0.9044   15.207   1.1077  1933.38   50.838  1797.58   66.967 135.7955 84.07795 
1 1 1    6   16    4 o  365.756   77.674   0.6591   0.2533   0.5810   0.3031   0.8404   0.4615  341.208   93.682  405.904  117.089 -64.69568 149.9539 
1 1 1    6   16    5 o  981.208   43.035   4.4833   0.3886   4.3771   0.5312   4.6054   0.5698  962.231   60.304  985.849   63.141 -23.61780 87.31203 
1 1 1    6   16    6 o  451.999   66.398   0.9898   0.2679   0.7201   0.3798   1.2570   0.3780  374.102  105.673  503.381   84.614 -129.2787 135.3750 
1 1 1    6   16    7 o  306.662   86.657   0.4750   0.2554   0.5871   0.3734   0.3765   0.3499  339.102  107.032  287.953  103.569 51.14825 148.9375 
1 1 1    6   16    8 o  252.048   90.013   0.2853   0.2639   0.4698   0.3781   0.1101   0.3685  309.933  108.003  238.453   99.896 71.47980 147.1183 
1 1 1    6   16    9 o  346.670   97.380   0.6312   0.3235   0.5046   0.5034   0.7202   0.4221  326.145  122.999  366.037  113.523 -39.89185 167.3807 
1 1 1    6   16   10 o  200.857   85.317   0.0485   0.2748   0.2630   0.3674  -0.2242   0.4142  262.723  103.448  204.837   94.473 57.88570 140.0956 
1 1 1    6   16   11 o  404.742   81.015   0.8369   0.2912   0.7726   0.3580   0.9626   0.5005  379.940  100.760  413.567  122.691 -33.62704 158.7631 
1 1 1    6   16   12 o  760.935   71.653   2.8505   0.4958   2.5925   0.6117   3.3446   0.8465  707.324   96.502  780.468  121.853 -73.14331 155.4376 
1 1 1    6   16   13 o  448.594   84.533   1.0302   0.3361   0.7528   0.4205   1.5210   0.5593  371.657  112.965  524.560  118.658 -152.9031 163.8315 
1 1 1    6   16   14 o  886.589   55.826   3.7583   0.4531   3.5207   0.5853   4.1138   0.7158  844.491   76.139  904.086   87.124 -59.59485 115.7053 
1 1 1    6   16   15 o  1258.78   49.054   7.4730   0.5682   8.1273   0.7543   6.6150   0.8638  1302.46   62.940  1157.24   81.646 145.2252 103.0898 
1 1 1    6   16   16 o  754.728   73.810   2.7815   0.5060   3.5842   0.7809   2.2004   0.6644  835.471  103.815  643.869  116.429 191.6018 155.9913 
1 1 1    6   16   17 o  939.823   61.753   4.2357   0.5311   3.6171   0.6809   5.1965   0.8486  850.436   88.294  1017.55   91.615 -167.1097 127.2367 
1 1 1    6   16   18 o  432.984  105.723   1.0036   0.4176   0.8829   0.5334   1.1946   0.6710  398.465  128.153  451.841  143.559 -53.37582 192.4380 
1 1 1    6   16   19 o  583.605   80.651   1.7259   0.4215   1.4870   0.5804   1.9925   0.6132  509.533  124.787  601.288  115.024 -91.75534 169.7119 
1 1 1    6   16   20 o  570.164   89.203   1.7166   0.4527   0.8690   0.6198   2.6856   0.6627  376.481  137.474  697.373  106.658 -320.8923 173.9971 
1 1 1    6   16   21 o  415.247  127.697   1.1197   0.5354   1.9989   0.8039   0.4188   0.7177  520.626  155.726  306.478  134.019 214.1485 205.4548 
1 1 1    6   16   22 o  281.638  121.162   0.3893   0.5672   0.4126   0.7789   0.3631   0.8274  297.146  134.129  295.805  135.356 1.341431 190.5569 
1 1 1    6   18    0 o  366.031   81.906   0.6664   0.2690   0.5427   0.3361   0.8867   0.4485  330.608  101.099  414.812  113.991 -84.20413 152.3647 
1 1 1    6   18    1 o  624.647   60.680   1.8556   0.3444   2.0040   0.4404   1.6221   0.5525  643.718   75.799  563.153  110.570 80.56506 134.0566 
1 1 1    6   18    2 o  408.115   81.530   0.8279   0.2955   1.0704   0.3883   0.4944   0.4554  460.393   94.816  328.394  118.139 131.9994 151.4819 
1 1 1    6   18    3 o  915.414   45.581   3.9180   0.3839   4.3954   0.5625   3.5015   0.5254  960.232   64.026  855.010   67.323 105.2219 92.90749 
1 1 1    6   18    4 o  860.715   47.082   3.4826   0.3715   3.8598   0.5252   3.1049   0.5255  898.372   63.949  801.143   72.058 97.22821 96.34221 
1 1 1    6   18    5 o  223.504   86.476   0.1772   0.2531   0.4356   0.3393  -0.1471   0.3800  299.475  102.408  206.105   93.301 93.37051 138.5364 
1 1 1    6   18    6 o  262.604   91.385   0.3232   0.2707   0.2436   0.3606   0.4259   0.4097  259.929  102.444  303.255  111.609 -43.32568 151.4970 
1 1 1    6   18    7 o  334.411   93.683   0.5837   0.2998   0.9269   0.4235   0.2390   0.4245  414.043  109.479  269.694  109.490 144.3490 154.8342 
1 1 1    6   18    8 o  697.598   67.614   2.3803   0.4286   2.0135   0.7006   2.5996   0.5418  594.820  131.495  718.526   83.498 -123.7066 155.7654 
1 1 1    6   18    9 o  578.841   78.483   1.6820   0.4072   1.6654   0.6842   1.6910   0.5068  531.722  138.472  565.773  101.055 -34.05066 171.4258 
1 1 1    6   18   10 o  252.524   96.850   0.2619   0.3154   0.9589   0.4534  -0.3923   0.4392  415.615  114.764  195.267   92.369 220.3481 147.3184 
1 1 1    6   18   11 o  953.631   56.410   4.3637   0.4928   3.7528   0.6637   5.1146   0.7357  862.231   84.742  1012.61   79.603 -150.3776 116.2663 
1 1 1    6   18   12 o  542.636   94.685   1.5328   0.4556   1.6345   0.5659   1.3453   0.7680  545.372  116.319  466.736  154.012 78.63589 193.0020 
1 1 1    6   18   13 o  745.161   60.486   2.6784   0.4112   2.9703   0.5437   2.2884   0.6284  773.966   77.381  657.141  107.644 116.8256 132.5709 
1 1 1    6   18   14 o  919.322   55.442   4.0285   0.4668   3.7356   0.5983   4.4840   0.7462  872.534   75.261  947.191   86.574 -74.65674 114.7139 
1 1 1    6   18   15 o  420.678  107.709   0.9412   0.4187   0.6704   0.5966   1.2041   0.5878  364.817  134.623  464.021  131.601 -99.20346 188.2610 
1 1 1    6   18   16 o  768.123   64.142   2.8472   0.4492   2.6209   0.5692   3.2209   0.7315  722.747   87.356  789.896  103.100 -67.14929 135.1320 
1 1 1    6   18   17 o  350.210  111.318   0.6537   0.4034   0.2077   0.5244   1.3004   0.6314  282.451  118.791  473.529  137.068 -191.0778 181.3806 
1 1 1    6   18   18 o  588.521   97.464   1.8255   0.5093   1.6071   0.5562   2.9595   1.2673  537.576  115.862  627.476  197.045 -89.89984 228.5842 
1 1 1    6   18   19 o  242.182  103.934   0.1207   0.4155   0.3066   0.5230  -0.1975   0.6842  285.550  119.272  258.295  119.931 27.25537 169.1423 
1 1 1    6   18   20 o  300.150  117.762   0.4897   0.4745   0.5093   0.5876   0.4532   0.8043  309.412  127.582  316.603  140.028 -7.190643 189.4333 
1 1 1    6   18   21 f  351.531  134.059   0.8867   0.6023   0.8580   0.7588   0.9355   0.9900  341.089  143.150  345.079  153.834 -3.990112 210.1354 
1 1 1    6   20    0 o  909.426   48.668   3.9023   0.4058   3.8320   0.5691   3.9750   0.5788  889.442   70.101  906.045   69.964 -16.60364 99.04100 
1 1 1    6   20    1 o  189.417   82.496  -0.0153   0.2695  -0.1700   0.3819   0.1382   0.3804  203.493   92.666  246.031  102.154 -42.53809 137.9217 
1 1 1    6   20    2 o  742.938   65.473   2.6692   0.4430   2.3059   0.4994   4.0116   0.9600  681.329   81.256  862.718  124.531 -181.3891 148.6957 
1 1 1    6   20    3 o  418.731   84.468   0.8940   0.3142   0.6007   0.4357   1.2120   0.4536  340.564  116.050  477.569  105.999 -137.0047 157.1732 
1 1 1    6   20    4 o  563.838   70.187   1.5642   0.3563   2.0163   0.5176   1.1571   0.4911  627.386   92.426  459.059  116.169 168.3271 148.4514 
1 1 1    6   20    5 o  358.151   94.645   0.6767   0.3166   0.5675   0.4290   0.8073   0.4692  330.721  115.048  382.259  119.881 -51.53806 166.1546 
1 1 1    6   20    6 o  364.365   97.018   0.7066   0.3311   0.7664   0.4534   0.6383   0.4845  372.597  117.975  346.290  122.147 26.30725 169.8172 
1 1 1    6   20    7 f  680.365   70.049   2.2820   0.4323   3.0217   0.7537   1.9194   0.5277  747.291  113.153  604.778   98.189 142.5131 149.8155 
1 1 1    6   20    8 o  391.259  102.886   0.8285   0.3753   0.4125   0.6075   1.0854   0.4774  318.606  130.351  440.698  116.100 -122.0923 174.5582 
1 1 1    6   20    9 o  311.448  101.305   0.5070   0.3327   1.0871   0.4814  -0.0237   0.4604  440.607  116.826  237.807  105.524 202.7993 157.4282 
1 1 1    6   20   10 o  441.478   90.541   1.0174   0.3555   1.8271   0.5049   0.2213   0.5006  591.351   96.080  277.740  116.398 313.6104 150.9300 
1 1 1    6   20   11 o  736.415   75.504   2.6929   0.5044   2.4886   0.6177   3.1016   0.8737  689.163  100.361  738.452  133.491 -49.28851 167.0095 
1 1 1    6   20   12 o  195.966   87.509  -0.0751   0.3218  -0.2504   0.4305   0.1470   0.4845  206.939   95.750  266.594  113.258 -59.65552 148.3084 
1 1 1    6   20   13 o  903.985   64.898   3.9464   0.5362   3.2324   0.7124   4.8799   0.8146  792.756   99.872  984.123   90.983 -191.3666 135.1008 
1 1 1    6   20   14 o  552.504   90.031   1.5514   0.4420   1.2575   0.6140   1.8674   0.6366  471.077  134.817  585.807  122.063 -114.7292 181.8653 
1 1 1    6   20   15 o  730.735   64.881   2.5860   0.4317   2.2672   0.5378   3.1634   0.7239  669.122   89.604  780.887  103.276 -111.7659 136.7287 
1 1 1    6   20   16 o  417.712  102.427   0.9344   0.3907   0.6209   0.4918   1.4706   0.6432  344.519  122.898  502.656  135.832 -158.1365 183.1779 
1 1 1    6   20   17 o  216.942  101.134  -0.2892   0.4944  -0.2892   0.4944   0.0000   0.0000  216.942  101.134  ?   ?  0.000000 101.1336 
1 1 1    6   20   18 o  405.327  121.507   0.9827   0.4890   1.0891   0.5848   0.7352   0.8918  416.507  134.202  362.178  153.755 54.32907 204.0847 
1 1 1    6   20   19 o  231.148  102.500   0.0563   0.4337  -0.2707   0.5636   0.5311   0.6791  224.088  105.581  316.150  134.193 -92.06255 170.7486 
1 1 1    6   20   20 o  348.432  121.313   0.8146   0.4770   0.6888   0.6148   1.0049   0.7560  320.989  131.211  356.960  145.661 -35.97021 196.0446 
1 1 1    6   22    0 o  153.413   74.001  -0.4299   0.3128  -0.0401   0.4509  -0.7914   0.4343  234.541  104.237  165.626   81.460 68.91522 132.2918 
1 1 1    6   22    1 f  187.920   85.681  -0.1457   0.3277   0.6979   0.4704  -0.9416   0.4569  358.075  120.590  163.380   80.945 194.6953 145.2375 
1 1 1    6   22    2 o  247.287   98.308   0.2191   0.3347  -0.1158   0.4823   0.5304   0.4649  232.724  105.251  324.149  118.959 -91.42477 158.8359 
1 1 1    6   22    3 o  966.004   55.085   4.4735   0.4876   4.8288   0.7029   4.1439   0.6770  984.048   78.272  907.917   81.920 76.13062 113.3021 
1 1 1    6   22    4 o  263.907   98.908   0.3100   0.3245   0.5438   0.4575   0.0732   0.4604  325.400  118.216  249.725  108.295 75.67455 160.3210 
1 1 1    6   22    5 o  255.231   99.590   0.2594   0.3379   1.0491   0.4904  -0.4542   0.4662  430.442  119.556  196.852   93.708 233.5895 151.9035 
1 1 1    6   22    6 o  317.649  111.366   0.5235   0.4023   0.0426   0.6259   0.8621   0.5252  276.821  122.928  388.584  127.318 -111.7634 176.9778 
1 1 1    6   22    7 o  334.306  109.649   0.6002   0.3895   0.9241   0.6546   0.4227   0.4846  397.419  141.784  305.492  119.250 91.92651 185.2649 
1 1 1    6   22    8 o  203.303   90.297  -0.0479   0.3379   0.2461   0.4567  -0.4032   0.5022  273.383  112.576  210.105   99.198 63.27760 150.0449 
1 1 1    6   22    9 o  653.614   75.525   2.1305   0.4459   2.0982   0.6025   2.1696   0.6629  624.191  108.857  625.899  119.464 -1.708252 161.6215 
1 1 1    6   22   10 o  338.149  111.711   0.6077   0.4040   0.6654   0.4980   0.4967   0.6908  352.671  123.894  340.304  139.092 12.36646 186.2695 
1 1 1    6   22   11 o  279.446  109.304   0.3129   0.4078   0.2632   0.4896   0.4253   0.7366  284.524  116.790  338.978  141.563 -54.45410 183.5212 
1 1 1    6   22   12 o  459.756  113.694   1.1458   0.4783   0.8631   0.5784   1.7568   0.8505  395.570  133.723  535.484  160.177 -139.9133 208.6582 
1 1 1    6   22   13 f  625.819  128.070   2.1685   0.7127   2.5266   1.1420   1.9400   0.9120  615.989  185.913  557.778  165.650 58.21075 249.0053 
1 1 1    6   22   14 o  1061.56   65.230   5.4573   0.6341   5.3192   0.8816   5.6052   0.9127  1020.20   95.005  1046.51   95.841 -26.31531 134.9496 
1 1 1    6   22   15 o  383.453  107.775   0.8044   0.3961   0.9633   0.4921   0.5119   0.6675  412.370  121.472  337.955  137.268 74.41513 183.2976 
1 1 1    6   22   16 o  1069.03   69.665   5.6596   0.6815   5.6822   0.7741   5.5817   1.4374  1059.38   79.998  904.223  179.092 155.1584 196.1475 
1 1 1    6   22   17 o  277.759  112.069   0.3415   0.4417   0.5474   0.5632   0.0122   0.7122  320.215  127.448  275.958  126.008 44.25662 179.2231 
1 1 1    6   22   18 f  240.885  105.496   0.1288   0.4462   0.5080   0.5789  -0.4263   0.7004  304.877  126.253  234.734  112.582 70.14272 169.1576 
1 1 1    6   22   19 o  295.825  117.708   0.5389   0.4803   0.2732   0.5832   1.0985   0.8464  266.975  118.603  357.996  150.762 -91.02081 191.8225 
1 1 1    6   24    0 o  189.693   89.459  -0.3465   0.4063  -0.0879   0.7296  -0.4628   0.4892  281.971  128.283  202.151   96.163 79.82066 160.3242 
1 1 1    6   24    1 o  189.458   89.381  -0.3481   0.4063  -1.1560   0.6899   0.0809   0.5027  206.835  101.911  258.840  112.703 -52.00473 151.9466 
1 1 1    6   24    2 o  326.657  117.034   0.5570   0.4464   1.0082   0.8225   0.3686   0.5316  409.410  156.537  302.256  122.591 107.1537 198.8276 
1 1 1    6   24    3 o  432.511  113.569   1.0447   0.4578   1.5863   0.8259   0.8046   0.5500  494.345  159.506  376.404  130.307 117.9411 205.9663 
1 1 1    6   24    4 o  216.021   96.444  -0.0582   0.3907  -0.0578   0.6468  -0.0584   0.4902  270.070  122.035  239.617  107.428 30.45287 162.5834 
1 1 1    6   24    5 o  296.553  110.490   0.4230   0.4038   0.3364   0.6018   0.4940   0.5447  306.411  127.954  322.589  126.285 -16.17801 179.7785 
1 1 1    6   24    6 o  316.044  110.183   0.5191   0.3936   0.3409   0.5129   0.7742   0.6138  295.800  120.254  372.099  136.661 -76.29987 182.0367 
1 1 1    6   24    7 o  600.616   81.707   1.8268   0.4398   1.9605   0.6047   1.6765   0.6410  598.399  113.981  538.318  130.708 60.08148 173.4250 
1 1 1    6   24    8 o  1477.49   60.226   10.497   0.8188   10.862   0.9809   9.6569   1.4872  1489.81   71.549  1326.12  123.284 163.6876 142.5423 
1 1 1    6   24    9 o  310.014  113.317   0.4666   0.4213   0.5334   0.5061   0.3159   0.7601  330.008  123.548  328.500  140.764 1.507690 187.2931 
1 1 1    6   24   10 o  288.289  112.588   0.3396   0.4321   0.3475   0.5105   0.3194   0.8115  300.947  120.811  336.702  144.891 -35.75595 188.6492 
1 1 1    6   24   11 o  1280.89   68.143   7.9604   0.8003   6.7578   1.3617   8.5950   0.9891  1097.26  137.914  1315.94   82.093 -218.6820 160.4982 
1 1 1    6   24   12 o  637.949  101.229   2.1288   0.5744   2.8857   1.0948   1.8414   0.6747  667.337  175.831  569.366  131.443 97.97162 219.5303 
1 1 1    6   24   13 o  296.637  112.144   0.4084   0.4192   0.4475   0.5685   0.3620   0.6204  319.714  127.791  313.949  130.412 5.764923 182.5864 
1 1 1    6   24   14 o  328.534  120.107   0.5704   0.4733   0.4341   0.6422   0.7325   0.7002  321.220  132.995  365.083  143.114 -43.86304 195.3694 
1 1 1    6   24   15 o  398.348  136.763   0.9954   0.6052   1.4825   0.7157  -0.2275   1.1340  472.918  148.007  311.491  147.660 161.4269 209.0678 
1 1 1    6   24   16 o  407.026  129.136   1.0684   0.5431   1.1718   0.7814   0.9717   0.7553  401.055  152.757  375.329  148.161 25.72623 212.8053 
1 1 1    6   24   17 o  241.913  104.710   0.1790   0.4288   1.0646   0.5611  -1.0646   0.6649  389.730  131.707  193.880   96.330 195.8503 163.1753 
1 1 1    6   24   18 o  262.626  111.859   0.3426   0.4748   0.3210   0.6129   0.3749   0.7509  270.385  120.750  283.655  129.471 -13.27066 177.0403 
1 1 1    6   26    0 f  314.412  114.246   0.5001   0.4273   0.4696   0.6187   0.5278   0.5908  326.743  132.350  332.519  131.108 -5.775391 186.2950 
1 1 1    6   26    1 o  345.669  122.311   0.6444   0.4862   0.6972   0.8154   0.6152   0.6056  370.508  151.238  346.645  133.865 23.86340 201.9722 
1 1 1    6   26    2 o  267.371  113.642   0.1684   0.4882   0.4225   0.8768   0.0542   0.5877  346.030  149.750  271.349  119.871 74.68109 191.8181 
1 1 1    6   26    3 o  244.427  107.730   0.0132   0.4720   0.1141   0.5644  -0.2213   0.8607  274.214  119.408  291.510  135.057 -17.29639 180.2740 
1 1 1    6   26    4 o  924.735   78.924   4.2734   0.6651   4.7730   0.8034   3.1852   1.1857  964.674   91.612  680.353  184.673 284.3203 206.1483 
1 1 1    6   26    5 o  316.238  115.557   0.4996   0.4380   1.1034   0.6000  -0.1894   0.6410  433.693  135.485  258.881  118.708 174.8122 180.1328 
1 1 1    6   26    6 o  326.675  113.491   0.5526   0.4174   0.1467   0.5263   1.2406   0.6851  273.393  117.139  455.000  145.119 -181.6069 186.4968 
1 1 1    6   26    7 o  475.335  116.610   1.2445   0.5062   1.9684   0.6223  -0.1708   0.8701  601.437  116.660  300.650  138.026 300.7871 180.7230 
1 1 1    6   26    8 o  487.204  119.872   1.3153   0.5337   1.6702   0.6478   0.5649   0.9418  541.952  131.282  372.578  158.082 169.3739 205.4870 
1 1 1    6   26    9 o  554.846   98.981   1.6103   0.4868   1.2063   0.6366   2.1791   0.7554  454.149  139.180  616.077  136.820 -161.9286 195.1686 
1 1 1    6   26   10 o  388.810  135.907   0.8521   0.5990   1.8745   1.0263   0.3241   0.7376  525.752  178.123  325.103  138.968 200.6490 225.9202 
1 1 1    6   26   11 o  1342.15   59.669   8.6756   0.7369   7.9775   0.9923   9.5339   1.1004  1254.45   86.494  1369.89   87.755 -115.4459 123.2163 
1 1 1    6   26   12 o  428.273  116.617   1.0465   0.4720   1.3226   0.6442   0.7266   0.6933  463.639  139.572  363.229  142.403 100.4098 199.3965 
1 1 1    6   26   13 o  386.636  133.557   0.9184   0.5776   0.6542   0.6589   1.7948   1.2001  344.702  137.649  467.161  186.012 -122.4594 231.4036 
1 1 1    6   26   14 o  521.761  132.475   1.7279   0.6372   1.9282   0.7483   1.1996   1.2151  531.892  147.659  393.899  173.258 137.9934 227.6436 
1 1 1    6   26   15 o  231.381  105.406  -0.0188   0.4946  -0.6687   0.6703   0.7581   0.7329  215.114  104.820  338.114  141.203 -123.0000 175.8567 
1 1 1    6   26   16 o  202.947   97.425  -0.3631   0.5272  -1.1136   0.6758   0.8035   0.8426  190.730   95.143  326.848  144.003 -136.1178 172.5945 
1 1 1    6   26   17 o  246.890  124.221  -1.1725   1.2758   0.0000   0.0000  -1.1725   1.2758  ?   ?   246.890  124.221 0.000000 124.2212 
1 1 1    6   28    0 o  539.792  120.235   1.6128   0.5819   1.9936   0.7035   0.7880   1.0354  591.425  132.552  399.057  167.332 192.3688 213.4713 
1 1 1    6   28    1 f  416.568  139.207   1.0033   0.6268   0.9552   0.7391   1.1264   1.1828  407.897  149.942  436.982  180.671 -29.08444 234.7866 
1 1 1    6   28    2 o  282.553  119.302   0.2049   0.5323   0.3234   0.6548  -0.0257   0.9137  315.734  132.767  317.011  143.966 -1.276459 195.8404 
1 1 1    6   28    3 o  713.220  101.305   2.6567   0.6462   2.7499   0.7667   2.4283   1.2004  707.738  122.148  584.887  192.526 122.8513 228.0057 
1 1 1    6   28    4 o  555.527  119.817   1.7032   0.5945   2.2685   0.7172   0.4618   1.0628  637.526  126.715  371.783  162.817 265.7437 206.3157 
1 1 1    6   28    5 f  960.784  109.472   4.8896   0.9505   6.7855   1.4195   3.3483   1.2799  1081.08  146.464  694.598  193.211 386.4861 242.4502 
1 1 1    6   28    6 o  631.905  142.079   2.3401   0.8061   2.8521   1.1205   1.7909   1.1604  653.238  180.444  505.898  187.535 147.3405 260.2484 
1 1 1    6   28    7 o  420.449  141.129   1.0430   0.6442   0.2301   1.0299   1.5656   0.8257  347.052  155.649  495.985  159.432 -148.9331 222.8126 
1 1 1    6   28    8 o  300.645  126.160   0.3005   0.5893   0.2001   1.0016   0.3536   0.7288  339.177  152.691  324.104  138.327 15.07220 206.0314 
1 1 1    6   28    9 o  404.360  135.873   0.9761   0.5971   0.7022   0.9487   1.1559   0.7684  374.193  158.708  427.125  153.490 -52.93256 220.7880 
1 1 1    6   28   10 o  863.062   80.186   3.7908   0.6295   4.9691   0.9101   2.7098   0.8717  957.716  104.993  657.599  147.675 300.1173 181.1944 
1 1 1    6   28   11 o  453.718  125.986   1.2561   0.5447   0.6868   0.7103   2.0686   0.8486  348.038  141.509  544.266  159.294 -196.2286 213.0711 
1 1 1    6   28   12 o  386.247  132.224   0.9732   0.5656   1.0356   0.6421   0.7573   1.1948  390.719  140.317  358.839  163.605 31.88000 215.5354 
1 1 1    6   28   13 o  511.332  124.816   1.6796   0.5821   1.4782   0.7643   1.9578   0.8983  432.531  153.326  478.713  166.493 -46.18164 226.3376 
1 1 1    6   28   14 o  384.285  130.680   1.0795   0.5524   0.8237   0.7490   1.3846   0.8180  330.327  140.592  391.504  154.302 -61.17694 208.7473 
1 1 1    6   28   15 o  316.094  124.630   0.7397   0.5339  -0.2651   0.6892   2.2473   0.8442  228.353  110.072  486.007  161.527 -257.6541 195.4656 
1 1 1    6   30    0 o  1206.70   66.615   7.0869   0.7368   8.1056   1.0606   6.1368   1.0243  1260.12   92.106  1081.08  104.264 179.0463 139.1206 
1 1 1    6   30    1 o  703.153   93.823   2.5559   0.5919   2.0995   0.8127   3.0714   0.8638  586.924  149.940  734.477  132.690 -147.5526 200.2213 
1 1 1    6   30    2 o  1086.76   71.931   5.8164   0.7152   6.1344   0.9873   5.4652   1.0375  1083.83  100.133  1005.35  114.178 78.48126 151.8657 
1 1 1    6   30    3 o  525.731  116.692   1.5397   0.5498   1.6317   0.7242   1.4145   0.8447  515.633  146.010  467.041  161.499 48.59222 217.7175 
1 1 1    6   30    4 o  662.245  101.600   2.3323   0.5994   1.7557   0.7929   3.1011   0.9155  524.866  154.078  721.053  143.031 -196.1869 210.2328 
1 1 1    6   30    5 o  628.913  105.211   2.1376   0.5874   2.4272   0.8228   1.8366   0.8388  630.175  144.913  527.902  159.330 102.2736 215.3735 
1 1 1    6   30    6 o  297.297  128.193   0.2579   0.6379   0.1022   1.1127   0.3342   0.7785  334.883  154.590  321.331  140.070 13.55161 208.6087 
1 1 1    6   30    7 f  284.711  125.119   0.1736   0.6324   0.9268   1.1136  -0.1850   0.7684  390.096  168.793  272.837  126.820 117.2597 211.1263 
1 1 1    6   30    8 o  432.236  127.573   1.1547   0.5423   1.2965   0.7161   0.9641   0.8302  436.452  148.786  383.116  153.969 53.33585 214.1116 
1 1 1    6   30    9 o  455.397  131.558   1.3353   0.5822   1.2130   0.8080   1.4674   0.8396  406.791  155.244  439.225  160.066 -32.43423 222.9839 
1 1 1    6   30   10 o  293.315  128.503   0.3586   0.6626   0.2357   1.1120   0.4262   0.8251  314.877  148.342  311.045  139.420 3.832214 203.5757 
1 1 1    6   30   11 o  340.774  149.158   0.8652   0.8909   2.5405   1.3115  -0.5700   1.2139  455.138  189.383  276.119  135.880 179.0186 233.0860 
1 1 1    6   30   12 o  424.139  153.913   1.6236   0.7751   1.5320   1.4137   1.6629   0.9269  353.314  166.696  401.410  162.205 -48.09564 232.5900 
1 1 1    6   30   13 o  331.951  132.007   0.9065   0.6037   1.4629   0.7863   0.1075   0.9423  382.130  151.064  266.855  128.649 115.2758 198.4211 
1 1 1    6   32    0 o  335.017  127.485   0.6159   0.5439  -0.0621   0.7111   1.5719   0.8444  273.914  125.392  473.416  161.557 -199.5019 204.5086 
1 1 1    6   32    1 o  335.314  128.560   0.6212   0.5557   0.3230   0.7068   1.1040   0.8994  308.357  133.947  404.427  161.029 -96.06943 209.4569 
1 1 1    6   32    2 o  213.713  101.536  -0.4156   0.5421  -0.6565   0.7271  -0.1141   0.8134  233.959  112.845  281.809  130.820 -47.84904 172.7658 
1 1 1    6   32    3 o  360.495  138.741   0.7975   0.6488  -0.5107   0.9771   1.8292   0.8677  276.439  132.686  499.337  163.656 -222.8982 210.6867 
1 1 1    6   32    4 o  268.306  121.573   0.0462   0.6470  -0.4873   1.0367   0.3867   0.8281  281.689  135.582  318.272  141.362 -36.58325 195.8718 
1 1 1    6   32    5 o  415.801  150.302   1.2507   0.7382   2.2072   1.3466   0.8397   0.8826  463.872  192.362  358.891  152.678 104.9807 245.5882 
1 1 1    6   32    6 o  352.835  131.374   0.8157   0.5707   1.1346   0.7810   0.4502   0.8360  388.557  151.466  315.043  140.838 73.51398 206.8271 
1 1 1    6   32    7 o  378.476  137.601   1.0293   0.6200   1.5349   0.8783   0.5272   0.8752  421.543  161.622  316.795  142.664 104.7487 215.5797 
1 1 1    6   32    8 o  219.123  104.427  -0.2927   0.5824   1.1151   0.7980  -1.8970   0.8518  366.169  149.559  193.937   98.055 172.2323 178.8372 
1 1 1    6   32    9 o  268.843  122.903   0.2620   0.6800   0.1183   0.7974   0.6454   1.3020  266.834  125.680  313.290  151.083 -46.45590 196.5235 
1 1 1    6   32   10 o  550.255  159.011   2.7023   0.8504   3.8540   1.5158   2.1732   1.0274  455.801  197.074  418.822  170.226 36.97925 260.4138 
1 1 1    6   32   11 o  281.644  126.672   0.5717   0.6874   1.2424   0.8156  -1.0735   1.2774  340.347  145.826  240.380  121.362 99.96721 189.7203 
1 1 1    6   34    0 o  285.303  128.104   0.3032   0.6998   0.4233   1.0321   0.2010   0.9521  313.762  146.221  295.763  138.681 17.99802 201.5263 
1 1 1    6   34    1 o  245.164  115.819  -0.1643   0.6864  -1.4217   0.9784   1.0546   0.9633  225.652  112.855  357.206  155.757 -131.5541 192.3449 
1 1 1    6   34    2 o  325.362  140.303   0.7291   0.7642   0.1913   1.2329   1.0646   0.9737  304.793  146.995  353.862  155.385 -49.06870 213.8970 
1 1 1    6   34    3 o  244.732  113.673  -0.0008   0.6155   0.2786   0.8095  -0.3835   0.9476  284.201  131.426  257.284  125.205 26.91660 181.5191 
1 1 1    6   34    4 o  224.031  108.051  -0.3580   0.6664  -0.7324   0.8904   0.1191   1.0049  233.385  115.141  281.381  134.927 -47.99646 177.3772 
1 1 1    6   34    5 o  276.777  124.491   0.3977   0.6641   0.9304   0.8911  -0.2677   0.9960  325.435  145.449  257.980  126.152 67.45523 192.5356 
1 1 1    6   34    6 o  484.929  147.510   2.0068   0.7169   2.0225   0.9673   1.9878   1.0678  412.789  166.086  390.829  167.139 21.95966 235.6265 
1 1 1    6   34    7 o  339.624  141.322   1.1340   0.7304   1.8179   0.8825  -0.3525   1.3011  394.479  158.670  260.207  130.137 134.2720 205.2116 
1 1 1    6   34    8 o  265.236  129.385   0.2730   1.0293  -0.0033   1.4515   0.5525   1.4598  266.870  134.032  280.904  140.078 -14.03375 193.8723 
1 1 1    6   34    9 o  273.849  137.046   0.5600   1.4534   0.5600   1.4534   0.0000   0.0000  273.849  137.046  ?   ?  0.000000 137.0463 
1 1 1    6   36    0 o  303.525  131.782   0.8175   0.6834   0.3319   0.8816   1.5488   1.0819  266.375  127.371  335.904  154.099 -69.52875 199.9247 
1 1 1    6   36    1 o  242.147  114.898   0.1140   0.6898   0.4105   0.8831  -0.3504   1.1050  269.051  128.323  246.447  122.730 22.60365 177.5652 
1 1 1    6   36    2 o  224.367  111.241  -0.4934   0.8687  -1.0932   1.3667  -0.0868   1.1252  238.962  121.193  253.554  125.864 -14.59210 174.7267 
1 1 1    6   36    3 o  199.503  101.012  -1.4187   0.9238  -1.5758   1.2717  -1.2433   1.3443  222.529  113.261  232.662  118.223 -10.13335 163.7211 
1 1 1    6   36    4 o  321.918  157.794   2.4756   1.5862   0.0000   0.0000   2.4756   1.5862  ?   ?   321.918  157.794 0.000000 157.7937 
1 1 1    7    1    0 o  1453.70   25.781   9.7307   0.3449   9.6821   0.4870   9.7795   0.4884  1449.47   36.515  1456.75   36.434 -7.275513 51.58276 
1 1 1    7    1    1 o  2209.27   25.593   22.476   0.5203   22.955   0.7472   22.024   0.7249  2231.74   36.387  2186.05   36.035 45.68579 51.21046 
1 1 1    7    1    2 o  1366.36   26.292   8.5983   0.3306   8.7458   0.4703   8.4544   0.4647  1377.33   37.110  1354.17   37.295 23.16052 52.61245 
1 1 1    7    1    3 o  965.409   28.063   4.2936   0.2493   3.9771   0.3441   4.6431   0.3616  928.509   40.278  1003.32   39.170 -74.80927 56.18393 
1 1 1    7    1    4 o  1431.72   28.447   9.4439   0.3748   9.6205   0.5337   9.2721   0.5264  1444.06   40.164  1417.65   40.353 26.40894 56.93418 
1 1 1    7    1    5 o  969.930   31.660   4.3352   0.2826   4.3781   0.3983   4.2918   0.4009  973.958   44.446  964.261   45.184 9.696777 63.37954 
1 1 1    7    1    6 o  901.286   34.353   3.7433   0.2849   3.8063   0.4037   3.6809   0.4021  906.823   48.560  891.645   49.199 15.17841 69.12762 
1 1 1    7    1    7 f  2157.08   29.804   21.433   0.5916   21.794   0.7896   20.971   0.8931  2174.22   39.469  2132.07   45.524 42.15381 60.25156 
1 1 1    7    1    8 o  1722.84   31.257   13.677   0.4955   14.256   0.6588   12.922   0.7520  1758.02   40.724  1672.83   48.852 85.18994 63.60015 
1 1 1    7    1    9 o  626.907   66.524   1.8467   0.3779   2.3261   0.5589   1.4429   0.5129  699.353   88.852  544.135  106.250 155.2188 138.5054 
1 1 1    7    1   10 o  806.754   38.646   3.0112   0.2869   3.0197   0.3951   3.0017   0.4172  804.086   53.710  800.932   56.984 3.154053 78.30702 
1 1 1    7    1   11 f  922.060   39.632   3.9449   0.3363   3.8453   0.4484   4.0730   0.5084  905.529   54.055  930.138   59.712 -24.60907 80.54473 
1 1 1    7    1   12 o  815.885   45.669   3.1181   0.3415   3.4847   0.5620   2.9035   0.4300  851.568   72.409  782.083   60.209 69.48541 94.17081 
1 1 1    7    1   13 o  462.928   56.785   1.0285   0.2368   1.1049   0.3488   0.9632   0.3225  469.467   83.823  437.932   83.078 31.53470 118.0184 
1 1 1    7    1   14 o  542.770   52.786   1.4072   0.2603   1.6423   0.4019   1.2374   0.3416  575.062   77.971  498.525   76.946 76.53687 109.5454 
1 1 1    7    1   15 o  499.418   59.905   1.2082   0.2698   1.0193   0.3854   1.3897   0.3778  440.785   97.590  526.144   80.613 -85.35913 126.5791 
1 1 1    7    1   16 o  502.006   57.113   1.2152   0.2591   0.6514   0.3606   1.8173   0.3726  350.720  104.155  610.028   67.517 -259.3082 124.1243 
1 1 1    7    1   17 o  626.183   53.615   1.8723   0.3059   1.7511   0.4499   1.9765   0.4173  589.493   85.436  634.071   72.839 -44.57806 112.2709 
1 1 1    7    1   18 o  931.056   45.424   4.0695   0.3892   3.6377   0.5451   4.5185   0.5558  866.761   68.911  970.656   62.562 -103.8951 93.07372 
1 1 1    7    1   19 o  199.808   84.415   0.0443   0.2667   0.5034   0.3894  -0.3615   0.3661  320.355  109.713  179.263   84.654 141.0918 138.5756 
1 1 1    7    1   20 f  879.944   69.827   3.7426   0.5607   3.7236   0.7877   3.7620   0.7984  855.138  102.126  858.820  103.092 -3.682434 145.1125 
1 1 1    7    1   21 o  548.000   69.675   1.4718   0.3434   1.3225   0.4682   1.6456   0.5052  500.572  104.996  562.145  101.396 -61.57349 145.9634 
1 1 1    7    1   22 o  200.107   91.348  -0.1545   0.3739  -0.3125   0.4931   0.0592   0.5736  215.560  100.664  269.623  118.802 -54.06282 155.7145 
1 1 1    7    1   23 o  668.372   84.201   2.3245   0.5064   3.0026   0.7825   1.8360   0.6642  717.791  122.888  546.421  133.283 171.3700 181.2896 
1 1 1    7    1   24 f  202.096   92.554  -0.1006   0.3880  -0.6587   0.5551   0.4323   0.5425  195.413   95.257  293.427  121.921 -98.01387 154.7207 
1 1 1    7    3    0 o  1098.90   41.774   5.5689   0.4224   5.7136   0.6005   5.4272   0.5943  1110.25   58.991  1081.86   59.934 28.39368 84.09508 
1 1 1    7    3    1 o  2499.46   30.162   28.780   0.6937   29.909   0.8441   26.434   1.2175  2547.26   36.013  2391.69   55.320 155.5767 66.00996 
1 1 1    7    3    2 o  774.221   27.700   2.7611   0.1973   2.7149   0.2758   2.8097   0.2825  766.246   39.243  779.517   39.516 -13.27142 55.69163 
1 1 1    7    3    3 o  2210.79   27.045   22.515   0.5502   22.381   0.7705   22.654   0.7859  2202.90   38.010  2216.19   38.539 -13.29199 54.12962 
1 1 1    7    3    4 o  1542.02   28.733   10.955   0.4077   10.992   0.5747   10.918   0.5784  1543.57   40.465  1538.27   40.862 5.301270 57.50788 
1 1 1    7    3    5 o  710.595   31.542   2.3267   0.2062   2.2507   0.2770   2.4213   0.3090  697.082   43.397  722.752   46.709 -25.67017 63.75778 
1 1 1    7    3    6 o  1449.30   27.080   9.6733   0.3611   9.5996   0.4969   9.7559   0.5258  1443.13   37.418  1454.70   39.282 -11.56433 54.25065 
1 1 1    7    3    7 o  1733.55   27.470   13.840   0.4382   13.398   0.6030   14.336   0.6379  1704.78   38.439  1763.37   39.311 -58.59094 54.98124 
1 1 1    7    3    8 o  1604.66   31.810   11.866   0.4697   11.659   0.7374   12.008   0.6093  1588.59   50.449  1613.31   41.041 -24.71838 65.03397 
1 1 1    7    3    9 o  1461.02   30.657   9.8446   0.4121   10.211   0.5965   9.5101   0.5701  1486.11   43.621  1434.29   43.198 51.82166 61.39112 
1 1 1    7    3   10 o  800.790   45.934   2.9850   0.3371   2.9055   0.4649   3.0732   0.4894  785.470   64.900  807.532   66.453 -22.06207 92.88759 
1 1 1    7    3   11 o  1272.82   38.644   7.5172   0.4526   7.0725   0.5735   8.2514   0.7369  1230.87   50.639  1325.47   60.417 -94.59888 78.83241 
1 1 1    7    3   12 f  286.710   86.007   0.4058   0.2450   0.0827   0.3672   0.6648   0.3288  236.700   99.475  361.158   96.913 -124.4576 138.8791 
1 1 1    7    3   13 f  335.939   73.907   0.5648   0.2223   0.3966   0.3194   0.7228   0.3095  288.195   99.326  375.281   90.644 -87.08585 134.4696 
1 1 1    7    3   14 o  427.775   66.733   0.8998   0.2541   1.0671   0.3967   0.7834   0.3309  451.646   98.252  387.708   93.776 63.93787 135.8208 
1 1 1    7    3   15 o  163.059   73.158  -0.0788   0.2278   0.2048   0.3437  -0.3009   0.3041  248.062   99.285  163.076   77.055 84.98590 125.6781 
1 1 1    7    3   16 o  386.223   76.218   0.7519   0.2613   1.0330   0.4051   0.5516   0.3419  441.616  101.770  325.567  102.360 116.0492 144.3422 
1 1 1    7    3   17 o  554.433   60.236   1.4846   0.3024   1.3986   0.4582   1.5509   0.4024  517.799   99.791  556.737   80.919 -38.93799 128.4763 
1 1 1    7    3   18 o  1032.15   45.822   5.0019   0.4352   5.1175   0.6660   4.9158   0.5749  1027.66   70.866  1013.15   61.963 14.51160 94.13522 
1 1 1    7    3   19 o  926.877   50.016   4.0517   0.4250   3.5075   0.6184   4.5389   0.5851  845.917   80.409  972.687   65.757 -126.7694 103.8733 
1 1 1    7    3   20 o  511.203   89.867   1.3222   0.4073   1.5562   0.7235   1.2137   0.4928  522.129  145.280  477.250  113.816 44.87900 184.5542 
1 1 1    7    3   21 o  562.138  101.758   1.6499   0.5070   2.4848   0.9713   1.3372   0.5944  636.046  164.665  487.193  130.123 148.8523 209.8730 
1 1 1    7    3   22 f  498.349  123.962   1.4225   0.5661   1.8568   1.0353   1.2372   0.6761  512.766  178.711  449.267  144.255 63.49939 229.6672 
1 1 1    7    3   23 o  443.677  119.893   1.1738   0.5011   2.2947   0.9128   0.6903   0.5995  566.777  165.019  345.185  133.220 221.5916 212.0817 
1 1 1    7    3   24 o  226.952  100.031   0.0746   0.4070   0.2780   0.6417  -0.0622   0.5264  282.736  125.063  233.618  107.289 49.11815 164.7777 
1 1 1    7    5    0 o  228.220   48.247   0.2496   0.0982   0.2810   0.1051   0.0351   0.2747  242.378   48.808  206.223   86.309 36.15584 99.15346 
1 1 1    7    5    1 o  2162.56   42.689   21.580   0.8495   21.325   1.1912   21.844   1.2117  2146.59   60.308  2172.50   60.614 -25.90137 85.50503 
1 1 1    7    5    2 o  1215.88   32.563   6.8139   0.3643   6.5495   0.4193   7.6285   0.7359  1191.65   38.240  1283.46   62.315 -91.80603 73.11256 
1 1 1    7    5    3 o  2446.71   21.960   27.565   0.4944   27.726   0.6958   27.401   0.7026  2452.85   30.830  2438.39   31.315 14.46240 43.94417 
1 1 1    7    5    4 o  2387.80   23.057   26.254   0.5066   26.340   0.7172   26.169   0.7157  2390.68   32.601  2382.91   32.642 7.765625 46.13357 
1 1 1    7    5    5 o  1400.77   25.184   9.0354   0.3246   9.1785   0.4627   8.8966   0.4555  1411.20   35.631  1389.36   35.631 21.84290 50.38973 
1 1 1    7    5    6 o  1960.36   25.809   17.696   0.4656   17.784   0.6633   17.612   0.6536  1964.31   36.700  1954.84   36.333 9.476685 51.64263 
1 1 1    7    5    7 o  2003.44   29.619   18.490   0.5460   19.197   0.8799   18.048   0.6963  2039.43   46.889  1978.49   38.246 60.93201 60.50901 
1 1 1    7    5    8 o  609.165   37.692   1.7186   0.2102   1.6959   0.2933   1.7425   0.3015  603.108   53.412  611.294   54.154 -8.185974 76.06203 
1 1 1    7    5    9 o  1902.31   30.098   16.696   0.5268   16.982   0.7580   16.428   0.7328  1915.77   42.996  1884.44   42.261 31.32825 60.28861 
1 1 1    7    5   10 o  277.709   87.338   0.3656   0.2489   0.2853   0.2879   0.6027   0.4947  261.820   93.970  359.856  123.647 -98.03601 155.3028 
1 1 1    7    5   11 o  1118.71   35.841   5.8044   0.3689   5.5532   0.5224   6.0545   0.5212  1089.39   52.111  1138.34   49.755 -48.95032 72.04946 
1 1 1    7    5   12 o  393.159   82.179   0.7746   0.2877   0.9977   0.4525   0.6232   0.3728  435.837  112.182  349.130  106.408 86.70700 154.6203 
1 1 1    7    5   13 o  804.665   44.160   3.0450   0.3257   3.2725   0.4597   2.8155   0.4616  826.372   60.880  763.322   66.381 63.05054 90.07136 
1 1 1    7    5   14 o  1357.53   37.439   8.6099   0.4677   8.9697   0.7087   8.3324   0.6224  1372.63   56.112  1326.86   50.979 45.76648 75.81170 
1 1 1    7    5   15 o  716.751   49.193   2.4387   0.3225   2.2563   0.4846   2.5837   0.4320  672.798   79.831  729.649   65.032 -56.85132 102.9662 
1 1 1    7    5   16 o  523.217   75.413   1.3612   0.3526   2.0911   0.7574   1.1592   0.3984  603.315  139.263  472.159   94.985 131.1564 168.5716 
1 1 1    7    5   17 f  257.344   95.757   0.2833   0.3031  -0.3013   0.6121   0.4733   0.3489  247.062  114.264  307.374  103.854 -60.31192 154.4084 
1 1 1    7    5   18 o  827.733   52.766   3.2482   0.3998   2.7159   0.6004   3.6723   0.5359  735.730   90.605  872.443   67.269 -136.7131 112.8468 
1 1 1    7    5   19 o  665.182   72.173   2.1521   0.4347   2.3737   0.7235   2.0269   0.5437  668.005  122.208  632.401   96.495 35.60345 155.7116 
1 1 1    7    5   20 o  411.016   91.281   0.8671   0.3362   1.0960   0.5161   0.6984   0.4432  448.767  121.847  364.632  116.764 84.13449 168.7619 
1 1 1    7    5   21 o  1386.06   60.810   9.2066   0.7756   8.9439   1.0594   9.5100   1.1386  1336.93   86.578  1373.53   90.594 -36.59900 125.3121 
1 1 1    7    5   22 o  956.312   56.625   4.4118   0.4961   4.9636   0.7532   3.9890   0.6592  988.416   83.598  887.494   81.640 100.9222 116.8492 
1 1 1    7    5   23 o  874.389   74.672   3.8981   0.5950   5.6366   1.0443   3.0624   0.7241  986.812  117.307  734.392  110.579 252.4199 161.2100 
1 1 1    7    5   24 o  307.225  113.050   0.5623   0.4203   0.4428   0.6552   0.6459   0.5478  299.273  129.483  321.901  126.462 -22.62772 180.9930 
1 1 1    7    7    0 o  1029.76   31.800   4.8870   0.3013   4.8146   0.3383   5.1646   0.6626  1021.86   35.981  1053.15   68.757 -31.28363 77.60258 
1 1 1    7    7    1 o  3125.02   31.091   45.004   0.8940   45.038   1.0264   44.896   1.8201  3125.39   35.690  3113.27   63.533 12.12158 72.87170 
1 1 1    7    7    2 o  1169.06   24.253   6.2940   0.2609   6.3445   0.3303   6.2102   0.4254  1173.41   30.590  1160.30   39.845 13.10596 50.23360 
1 1 1    7    7    3 o  720.678   24.743   2.3918   0.1641   2.3434   0.2306   2.4415   0.2335  713.004   35.152  727.783   34.866 -14.77966 49.51026 
1 1 1    7    7    4 o  1858.69   23.703   15.907   0.4054   15.566   0.5674   16.262   0.5794  1837.98   33.549  1878.60   33.518 -40.62012 47.42401 
1 1 1    7    7    5 o  942.692   27.011   4.0925   0.2343   3.8966   0.3292   4.2936   0.3336  919.386   38.911  965.150   37.560 -45.76392 54.08191 
1 1 1    7    7    6 o  2207.81   28.159   22.451   0.5721   22.586   0.9030   22.361   0.7393  2212.60   44.354  2202.55   36.480 10.04858 57.42860 
1 1 1    7    7    7 f  1108.14   29.539   5.6583   0.3012   6.0418   0.4398   5.3197   0.4133  1144.20   41.777  1073.65   41.836 70.55469 59.12291 
1 1 1    7    7    8 o  138.358   60.126  -0.0233   0.1425   0.0347   0.2179  -0.0667   0.1884  184.804   77.074  151.870   67.441 32.93350 102.4143 
1 1 1    7    7    9 o  1472.42   34.460   10.022   0.4669   9.8943   0.5998   10.218   0.7438  1460.69   44.624  1481.51   54.559 -20.82788 70.48415 
1 1 1    7    7   10 o  1324.90   40.599   8.1499   0.4950   8.1074   0.6979   8.1930   0.7021  1315.39   57.657  1322.29   57.704 -6.908691 81.57258 
1 1 1    7    7   11 o  1580.67   33.751   11.590   0.4909   11.692   0.7045   11.494   0.6844  1580.74   48.435  1567.87   47.440 12.87488 67.79751 
1 1 1    7    7   12 o  393.647   80.326   0.7780   0.2811   0.4847   0.4975   0.9156   0.3407  327.071  122.482  423.907   90.124 -96.83600 152.0669 
1 1 1    7    7   13 o  574.213   74.942   1.6286   0.3865   0.8397   0.6098   2.1585   0.4998  392.597  137.135  656.354   84.727 -263.7572 161.1978 
1 1 1    7    7   14 o  1295.91   40.329   7.8691   0.4809   8.6212   0.7016   7.2026   0.6605  1344.59   56.708  1227.63   58.467 116.9559 81.45025 
1 1 1    7    7   15 o  472.793   68.707   1.1021   0.2902   0.8144   0.3998   1.4225   0.4218  388.740  107.929  526.665   90.290 -137.9253 140.7157 
1 1 1    7    7   16 o  201.804   84.816   0.0633   0.2670   0.1981   0.3878  -0.0581   0.3682  255.933  104.366  212.243   94.264 43.69043 140.6343 
1 1 1    7    7   17 o  622.752   57.751   1.8606   0.3272   1.6178   0.4739   2.0818   0.4523  561.284   95.149  648.984   77.252 -87.70081 122.5612 
1 1 1    7    7   18 o  525.659   68.826   1.3465   0.3249   1.2125   0.4831   1.4573   0.4390  478.107  111.811  536.009   92.346 -57.90231 145.0159 
1 1 1    7    7   19 o  284.698  104.046   0.3607   0.3551  -0.2414   0.6014   0.6832   0.4401  252.629  115.525  362.318  116.383 -109.6886 163.9846 
1 1 1    7    7   20 o  869.047   54.176   3.5901   0.4311   3.1843   0.6426   3.9221   0.5813  796.847   89.170  898.441   70.885 -101.5944 113.9117 
1 1 1    7    7   21 o  1060.29   70.360   5.4999   0.6826   4.8811   0.8790   6.4395   1.0832  970.063   99.909  1105.03  107.905 -134.9697 147.0547 
1 1 1    7    7   22 o  653.304   70.922   2.1331   0.4195   1.9248   0.6088   2.3213   0.5788  582.335  117.669  659.105   98.458 -76.76910 153.4277 
1 1 1    7    7   23 o  747.685   82.828   2.9431   0.5603   4.4000   0.9740   2.2227   0.6849  846.678  129.107  599.183  128.111 247.4952 181.8822 
1 1 1    7    7   24 o  383.552  146.683   1.1440   0.7223   1.9142   0.8693  -0.5733   1.2981  471.997  163.802  284.267  140.010 187.7299 215.4849 
1 1 1    7    9    0 o  1070.40   34.745   5.2809   0.3422   5.1128   0.3850   5.9139   0.7471  1052.94   39.736  1127.10   72.417 -74.16614 82.60246 
1 1 1    7    9    1 o  2784.48   32.876   35.727   0.8423   35.841   0.9712   35.380   1.6920  2788.22   37.856  2764.31   66.521 23.90869 76.53813 
1 1 1    7    9    2 o  1401.12   28.871   9.0423   0.3722   9.0616   0.5252   9.0228   0.5276  1401.82   40.719  1398.80   40.987 3.020264 57.77536 
1 1 1    7    9    3 o  1151.11   31.085   6.1041   0.3293   5.7617   0.4517   6.4923   0.4810  1117.66   43.921  1186.39   44.057 -68.73596 62.21016 
1 1 1    7    9    4 o  1596.67   27.636   11.741   0.4060   12.040   0.5217   11.281   0.6467  1616.40   35.073  1563.77   44.942 52.62451 57.00777 
1 1 1    7    9    5 o  580.046   34.730   1.5562   0.1845   1.5700   0.2942   1.5473   0.2369  580.213   55.798  577.341   44.943 2.871582 71.64708 
1 1 1    7    9    6 o  778.656   31.084   2.7943   0.2227   3.0488   0.3267   2.5734   0.3044  811.461   43.915  745.235   44.599 66.22589 62.59049 
1 1 1    7    9    7 o  1437.05   35.167   9.5316   0.4650   10.281   0.9825   9.3152   0.5279  1485.00   71.901  1419.93   40.404 65.07483 82.47574 
1 1 1    7    9    8 f  854.930   47.931   3.4022   0.3755   3.2367   0.6396   3.4893   0.4639  823.390   85.677  863.351   58.746 -39.96112 103.8827 
1 1 1    7    9    9 o  989.316   37.734   4.5365   0.3435   4.2345   0.5514   4.7280   0.4391  947.414   63.624  1007.85   47.349 -60.43488 79.30912 
1 1 1    7    9   10 o  948.984   44.351   4.1985   0.3873   3.7718   0.5255   4.7059   0.5730  890.823   64.546  996.315   62.823 -105.4919 90.07104 
1 1 1    7    9   11 o  1135.64   36.605   6.0013   0.3825   5.9449   0.5403   6.0580   0.5416  1123.72   52.257  1134.55   51.875 -10.82935 73.63349 
1 1 1    7    9   12 o  661.529   47.219   2.0686   0.2855   2.3575   0.4208   1.8221   0.3887  697.704   66.351  610.732   70.459 86.97211 96.78223 
1 1 1    7    9   13 o  559.011   65.172   1.5235   0.3289   1.5750   0.4746   1.4758   0.4563  550.766   97.209  533.162   96.562 17.60382 137.0179 
1 1 1    7    9   14 o  1486.92   39.262   10.353   0.5372   10.493   0.7652   10.218   0.7543  1483.48   56.056  1463.94   55.999 19.54163 79.23470 
1 1 1    7    9   15 o  303.484   90.193   0.4743   0.2703   0.6681   0.3973   0.3074   0.3688  353.516  110.219  272.167  104.643 81.34982 151.9818 
1 1 1    7    9   16 o  592.666   62.005   1.7008   0.3331   1.6760   0.4739   1.7250   0.4684  571.194   93.387  581.428   90.501 -10.23419 130.0440 
1 1 1    7    9   17 o  435.960   81.615   0.9579   0.3154   1.6116   0.4812   0.4655   0.4176  559.910   96.899  312.543  113.035 247.3670 148.8839 
1 1 1    7    9   18 o  609.920   76.664   1.8276   0.4208   1.4173   0.6467   2.1288   0.5541  503.911  136.217  648.102   95.793 -144.1906 166.5271 
1 1 1    7    9   19 o  1031.22   48.878   5.0042   0.4638   5.1713   0.7035   4.8756   0.6168  1030.85   74.670  1006.15   67.010 24.69385 100.3290 
1 1 1    7    9   20 f  621.750   69.835   1.8917   0.3926   2.2512   0.6061   1.6319   0.5154  657.055  103.688  557.270  104.340 99.78473 147.0990 
1 1 1    7    9   21 o  357.592  118.532   0.7055   0.4547   0.8657   0.6683   0.5673   0.6205  387.853  142.576  340.504  134.327 47.34900 195.8869 
1 1 1    7    9   22 o  590.390   79.559   1.7962   0.4212   1.6659   0.6105   1.9145   0.5818  525.664  127.525  580.246  113.040 -54.58246 170.4131 
1 1 1    7    9   23 o  477.214  109.548   1.3523   0.4709   1.2713   0.6711   1.4308   0.6608  420.130  144.029  449.917  142.417 -29.78696 202.5515 
1 1 1    7   11    0 o  2108.85   29.182   20.483   0.5663   19.877   0.7875   21.133   0.8149  2076.26   41.218  2140.85   41.366 -64.58740 58.39573 
1 1 1    7   11    1 o  1468.08   30.076   9.9277   0.4063   10.015   0.5816   9.8449   0.5678  1473.60   42.895  1461.11   42.230 12.49524 60.19471 
1 1 1    7   11    2 o  2097.31   33.194   20.268   0.6406   19.339   1.0101   20.892   0.8286  2046.26   53.645  2128.41   42.306 -82.15088 68.31927 
1 1 1    7   11    4 o  1812.93   39.134   15.160   0.6528   15.265   1.2637   15.121   0.7625  1812.98   75.750  1809.79   45.785 3.192627 88.51153 
1 1 1    7   11    5 o  1926.95   29.331   17.115   0.5201   16.475   0.6501   18.251   0.8667  1889.55   37.393  1986.98   47.402 -97.43298 60.37494 
1 1 1    7   11    6 o  329.917   59.228   0.5208   0.1732   0.4482   0.2167   0.6492   0.2881  303.744   77.334  364.570   87.088 -60.82642 116.4678 
1 1 1    7   11    7 o  431.873   56.118   0.8829   0.2177   0.8298   0.2446   1.0854   0.4776  416.209   66.087  465.168  112.760 -48.95856 130.6994 
1 1 1    7   11    8 o  682.589   37.497   2.1661   0.2346   2.1339   0.3310   2.1986   0.3326  673.794   53.832  684.152   53.256 -10.35718 75.72311 
1 1 1    7   11    9 o  292.938   70.727   0.4238   0.1885   0.2356   0.2695   0.6039   0.2637  243.748   90.377  347.608   83.485 -103.8602 123.0354 
1 1 1    7   11   10 o  829.562   49.124   3.2406   0.3733   2.9977   0.5177   3.5038   0.5388  787.294   72.269  853.273   69.222 -65.97961 100.0725 
1 1 1    7   11   11 o  664.768   46.993   2.0875   0.2856   2.6954   0.4295   1.6057   0.3824  748.438   62.950  571.173   74.534 177.2650 97.56057 
1 1 1    7   11   12 o  818.151   44.637   3.1571   0.3348   3.4935   0.4980   2.8798   0.4522  849.931   64.155  771.188   64.305 78.74329 90.83523 
1 1 1    7   11   13 o  256.783   92.939   0.2996   0.2824   0.2412   0.4241   0.3462   0.3785  269.304  109.401  281.033  106.487 -11.72919 152.6698 
1 1 1    7   11   14 f  532.618   62.500   1.3807   0.3005   1.4029   0.4311   1.3598   0.4190  520.439   93.464  512.974   92.160 7.465515 131.2597 
1 1 1    7   11   15 o  878.266   48.191   3.6539   0.3880   3.7052   0.5513   3.6035   0.5461  871.284   69.332  858.918   69.699 12.36584 98.30982 
1 1 1    7   11   16 o  329.836   92.909   0.5644   0.2940   0.6553   0.4142   0.4721   0.4175  352.012  112.888  312.594  113.025 39.41849 159.7450 
1 1 1    7   11   17 o  665.145   68.826   2.1479   0.4152   2.0598   0.6890   2.1981   0.5202  616.057  125.802  662.731   87.434 -46.67407 153.2022 
1 1 1    7   11   18 o  648.153   66.733   2.0322   0.3923   1.4801   0.5516   2.5972   0.5580  526.153  116.970  722.832   85.560 -196.6785 144.9224 
1 1 1    7   11   19 o  904.266   56.704   3.8996   0.4694   4.7022   0.6758   3.1511   0.6526  980.335   75.493  790.556   91.397 189.7791 118.5433 
1 1 1    7   11   20 o  264.780  106.139   0.2494   0.3934   0.3522   0.5046   0.0900   0.6284  299.193  120.104  284.864  124.963 14.32935 173.3228 
1 1 1    7   11   21 o  237.205  103.182   0.0635   0.4206   0.3286   0.6101  -0.1766   0.5805  302.517  127.732  244.171  112.333 58.34604 170.1007 
1 1 1    7   11   22 o  705.289   70.893   2.5282   0.4539   3.0850   0.6956   2.1154   0.5989  740.983  104.948  605.099  111.681 135.8837 153.2534 
1 1 1    7   11   23 o  183.496   86.801  -0.2659   0.3879  -0.0205   0.5460  -0.5161   0.5511  238.094  109.317  200.976   97.255 37.11859 146.3171 
1 1 1    7   13    0 o  1221.86   36.678   6.8836   0.4124   6.6717   0.6449   7.0301   0.5364  1200.94   58.358  1233.93   47.240 -32.99036 75.08195 
1 1 1    7   13    1 o  2643.18   33.955   32.207   0.8258   31.666   1.3040   32.569   1.0671  2616.87   54.153  2656.29   43.658 -39.41846 69.56020 
1 1 1    7   13    2 o  1850.43   32.111   15.785   0.5468   16.612   0.7899   15.025   0.7575  1896.40   45.268  1803.46   45.649 92.94690 64.28869 
1 1 1    7   13    3 o  403.651   56.067   0.7692   0.2026   0.9619   0.2847   0.5714   0.2884  449.302   71.239  343.025   90.188 106.2775 114.9299 
1 1 1    7   13    4 o  777.556   40.691   2.8023   0.2901   2.4850   0.3944   3.1764   0.4282  728.925   59.322  825.219   56.742 -96.29413 82.08964 
1 1 1    7   13    5 o  1621.87   39.603   12.173   0.5910   12.038   0.7350   12.420   0.9942  1610.20   49.609  1629.79   66.294 -19.57959 82.80035 
1 1 1    7   13    6 o  195.059   79.895   0.0699   0.2285   0.4895   0.2901  -0.6157   0.3709  316.514   93.287  162.116   78.762 154.3981 122.0897 
1 1 1    7   13    7 o  386.534   61.987   0.7193   0.2130   0.7423   0.2723   0.6831   0.3419  388.132   78.942  368.363   98.824 19.76880 126.4827 
1 1 1    7   13    8 o  763.878   43.024   2.7287   0.3012   2.6992   0.3869   2.7741   0.4798  755.501   56.059  760.632   69.306 -5.131470 89.13945 
1 1 1    7   13    9 o  611.911   51.353   1.7737   0.2865   1.7004   0.3681   1.8864   0.4563  592.378   68.805  617.910   82.293 -25.53235 107.2671 
1 1 1    7   13   10 o  720.994   53.530   2.4736   0.3526   2.6636   0.4922   2.2733   0.5054  737.852   73.470  675.657   83.035 62.19440 110.8723 
1 1 1    7   13   11 o  237.783   82.762   0.2615   0.2220   0.4680   0.3272   0.0852   0.3022  303.731  100.535  215.822   90.447 87.90921 135.2331 
1 1 1    7   13   12 f  765.773   48.229   2.7826   0.3381   2.9867   0.4870   2.5928   0.4697  781.742   68.396  726.257   71.206 55.48474 98.73344 
1 1 1    7   13   13 o  355.402   93.605   0.6648   0.3104   0.7915   0.4370   0.5358   0.4408  379.997  115.079  324.994  116.312 55.00302 163.6205 
1 1 1    7   13   14 o  305.798   91.859   0.4836   0.2793   0.2398   0.3713   0.8012   0.4238  259.248  103.391  383.186  112.688 -123.9381 152.9322 
1 1 1    7   13   15 o  332.026   92.714   0.5745   0.2941   0.5514   0.4341   0.5941   0.3999  329.143  115.662  336.845  111.138 -7.702362 160.4034 
1 1 1    7   13   16 o  459.770   80.674   1.0616   0.3289   0.7121   0.4667   1.4062   0.4635  366.395  120.018  519.963  100.508 -153.5678 156.5446 
1 1 1    7   13   17 o  279.668  100.782   0.3559   0.3315   0.3621   0.5798   0.3528   0.4041  316.834  128.195  289.506  109.952 27.32794 168.8886 
1 1 1    7   13   18 o  190.488   85.747  -0.1099   0.3158  -0.7796   0.4485   0.5489   0.4448  171.741   84.123  332.058  117.040 -160.3168 144.1356 
1 1 1    7   13   19 f  504.960   93.356   1.3187   0.4178   2.4005   0.5669   0.0330   0.6181  685.589   92.204  278.417  122.966 407.1718 153.6956 
1 1 1    7   13   20 o  649.267   76.419   2.1172   0.4478   2.6154   0.6408   1.6415   0.6261  700.667  102.408  530.473  129.415 170.1940 165.0325 
1 1 1    7   13   21 o  213.222   98.954  -0.2101   0.4649  -0.1911   0.6271  -0.2334   0.6928  247.270  114.814  254.928  119.137 -7.657959 165.4565 
1 1 1    7   13   22 o  401.553  114.197   0.9970   0.4420   2.1354   0.6686   0.1133   0.5891  576.979  129.150  260.006  117.070 316.9730 174.3132 
1 1 1    7   15    0 o  916.026   38.690   3.8784   0.3261   4.2369   0.4633   3.5261   0.4592  954.094   52.977  869.140   57.742 84.95319 78.36242 
1 1 1    7   15    1 f  342.696   66.078   0.5660   0.2008   0.6504   0.2879   0.4861   0.2803  364.341   87.056  316.905   91.199 47.43652 126.0792 
1 1 1    7   15    2 o  643.869   45.296   1.9313   0.2667   1.8901   0.3747   1.9735   0.3796  632.726   65.299  646.824   64.636 -14.09717 91.87891 
1 1 1    7   15    3 f  1100.31   42.108   5.6131   0.4263   5.8008   0.5425   5.3100   0.6894  1116.10   52.823  1060.50   71.059 55.60547 88.54161 
1 1 1    7   15    4 o  704.801   50.338   2.3263   0.3243   2.3888   0.4100   2.2216   0.5302  710.683   63.354  677.009   87.128 33.67450 107.7269 
1 1 1    7   15    5 o  709.194   47.055   2.3542   0.3053   2.5571   0.4394   2.1649   0.4246  733.438   65.809  673.108   69.551 60.32983 95.75075 
1 1 1    7   15    6 o  161.202   71.115  -0.0495   0.2062  -0.2228   0.2862   0.1373   0.2972  167.586   77.727  228.492   92.017 -60.90625 120.4517 
1 1 1    7   15    7 o  721.476   50.459   2.4557   0.3329   2.0158   0.4526   2.9739   0.4912  642.063   78.233  786.392   68.572 -144.3289 104.0313 
1 1 1    7   15    8 o  399.877   75.132   0.7965   0.2663   0.7273   0.3559   0.8845   0.4014  373.211  101.128  409.681  105.748 -36.46964 146.3198 
1 1 1    7   15    9 o  186.657   78.493   0.0468   0.2289  -0.2077   0.2745   0.6280   0.4148  163.072   75.798  345.944  113.144 -182.8719 136.1870 
1 1 1    7   15   10 o  474.454   74.004   1.1228   0.3125   0.8560   0.4079   1.5021   0.4863  397.429  108.501  532.898  102.908 -135.4698 149.5411 
1 1 1    7   15   11 o  224.594   88.207   0.1781   0.2664   0.5668   0.3495  -0.3614   0.4118  327.801  103.550  190.654   89.956 137.1461 137.1668 
1 1 1    7   15   12 o  835.281   66.134   3.3991   0.5041   3.3219   0.6298   3.5368   0.8410  810.750   85.728  808.084  116.471 2.665710 144.6190 
1 1 1    7   15   13 o  224.246   92.157   0.1301   0.3053  -0.0464   0.3875   0.4190   0.4957  218.146   96.806  308.597  120.571 -90.45123 154.6250 
1 1 1    7   15   14 o  259.469   96.491   0.2944   0.3077  -0.0076   0.3773   0.8937   0.5316  221.111   96.918  399.315  127.874 -178.2043 160.4521 
1 1 1    7   15   15 o  942.256   50.017   4.2050   0.4321   3.4919   0.5793   5.0993   0.6487  843.094   75.476  1024.84   69.198 -181.7465 102.3961 
1 1 1    7   15   16 o  216.242   93.571   0.0119   0.3423   0.2908   0.6159  -0.1126   0.4117  311.732  129.753  218.731   98.230 93.00037 162.7419 
1 1 1    7   15   17 o  1082.95   49.757   5.5304   0.4958   4.7488   0.6827   6.4027   0.7213  985.352   75.883  1151.11   68.402 -165.7552 102.1623 
1 1 1    7   15   18 f  358.663  100.670   0.6805   0.3458   0.6558   0.4950   0.7041   0.4834  353.419  123.549  362.666  122.242 -9.247559 173.8030 
1 1 1    7   15   19 o  307.513  112.875   0.4697   0.4186   0.0704   0.5230   1.1813   0.6982  261.403  114.355  438.940  146.928 -177.5370 186.1856 
1 1 1    7   15   20 o  470.148   99.442   1.2113   0.4168   1.7348   0.6024   0.7308   0.5772  542.752  123.414  354.204  132.070 188.5485 180.7582 
1 1 1    7   15   21 o  309.283  122.287   0.5377   0.5153   1.1510   0.7113  -0.1399   0.7477  399.210  147.043  262.473  123.014 136.7372 191.7132 
1 1 1    7   15   22 o  544.792  100.438   1.7378   0.4849   2.3676   0.7230   1.2227   0.6538  584.784  136.796  398.790  141.763 185.9947 197.0027 
1 1 1    7   17    0 o  815.212   48.325   3.1077   0.3609   2.5886   0.4410   4.1594   0.6278  738.611   65.575  934.205   73.625 -195.5945 98.59387 
1 1 1    7   17    1 o  169.114   73.967  -0.0375   0.2187   0.4568   0.2903  -0.6869   0.3327  306.077   94.007  143.659   70.780 162.4179 117.6741 
1 1 1    7   17    2 f  621.197   55.466   1.8229   0.3137   2.1244   0.4155   1.4232   0.4784  666.556   68.730  531.948  101.444 134.6079 122.5344 
1 1 1    7   17    3 o  223.839   82.680   0.1973   0.2252   0.0655   0.3186   0.3288   0.3183  221.148   92.778  275.138   98.789 -53.99023 135.5249 
1 1 1    7   17    4 f  1040.30   41.726   5.0450   0.3994   5.1619   0.5517   4.9162   0.5790  1044.66   57.616  1017.14   62.166 27.51831 84.75959 
1 1 1    7   17    5 o  409.123   74.874   0.8286   0.2715   0.8436   0.3761   0.8123   0.3923  403.385  101.427  394.621  105.849 8.764771 146.5999 
1 1 1    7   17    6 o  867.798   48.788   3.5543   0.3880   3.4490   0.5356   3.6705   0.5628  843.962   69.593  869.961   70.924 -25.99933 99.36473 
1 1 1    7   17    7 o  1274.45   43.275   7.6218   0.5075   8.4935   0.7267   6.7919   0.7091  1334.03   59.197  1186.90   65.173 147.1354 88.04381 
1 1 1    7   17    8 o  487.790   71.297   1.1789   0.3106   1.5572   0.4619   0.8666   0.4196  548.153   95.012  399.314  110.466 148.8392 145.7054 
1 1 1    7   17    9 o  284.160  100.330   0.3932   0.3270   0.3705   0.5077   0.4093   0.4274  301.854  120.725  298.534  113.147 3.320404 165.4595 
1 1 1    7   17   10 o  252.937  100.043   0.2371   0.3450   0.4197   0.4260  -0.1108   0.5882  299.876  113.132  256.036  115.972 43.83914 162.0132 
1 1 1    7   17   11 o  558.602   65.325   1.5292   0.3294   2.0766   0.4399   0.8301   0.4971  645.764   75.452  384.848  123.707 260.9156 144.9017 
1 1 1    7   17   12 o  517.332   96.529   1.4033   0.4426   1.2986   0.5375   1.6239   0.7801  480.596  121.484  511.640  153.481 -31.04468 195.7415 
1 1 1    7   17   13 o  824.962   55.967   3.2610   0.4223   3.0791   0.5352   3.5613   0.6876  789.559   74.547  836.249   90.814 -46.69012 117.4927 
1 1 1    7   17   14 o  266.453   99.218   0.3092   0.3255   0.4769   0.4366   0.0992   0.4885  315.019  115.330  262.144  112.601 52.87485 161.1829 
1 1 1    7   17   15 o  731.729   74.531   2.6242   0.4948   2.3016   0.6950   2.9558   0.7047  654.804  119.762  756.364  103.998 -101.5593 158.6143 
1 1 1    7   17   16 o  586.269   79.152   1.7070   0.4161   1.3322   0.5375   2.2674   0.6572  494.531  119.460  654.175  113.290 -159.6436 164.6371 
1 1 1    7   17   17 o  623.100   79.186   1.9360   0.4438   2.4999   0.5883   1.1917   0.6759  698.843   93.861  450.779  144.179 248.0648 172.0396 
1 1 1    7   17   18 o  478.741  116.046   1.2798   0.5059   1.1622   0.5546   1.8627   1.2345  447.546  128.140  501.181  191.743 -53.63556 230.6192 
1 1 1    7   17   19 o  288.000  109.378   0.4049   0.3999  -0.1025   0.5713   0.8922   0.5599  247.368  112.918  384.044  131.551 -136.6763 173.3674 
1 1 1    7   17   20 o  177.388   84.411  -0.3339   0.3775  -0.4605   0.5472  -0.2190   0.5215  207.989   99.690  221.287  103.398 -13.29785 143.6290 
1 1 1    7   17   21 o  251.868  114.377   0.0985   0.5766   1.2987   0.7505  -1.6309   0.9009  398.913  150.234  209.266  105.168 189.6470 183.3863 
1 1 1    7   19    0 o  944.645   44.499   4.1740   0.3868   4.6601   0.5525   3.7068   0.5417  989.336   60.987  878.601   67.519 110.7357 90.98512 
1 1 1    7   19    1 o  827.588   47.829   3.2242   0.3627   3.7053   0.5207   2.7709   0.5054  879.281   64.816  755.268   73.663 124.0129 98.11921 
1 1 1    7   19    2 o  407.571   76.769   0.8281   0.2773   0.8122   0.3860   0.8452   0.3987  393.493  104.756  400.835  106.353 -7.341492 149.2804 
1 1 1    7   19    3 o  252.625   90.674   0.2842   0.2681  -0.2203   0.3690   0.8480   0.3901  193.992   89.366  400.883  104.644 -206.8907 137.6107 
1 1 1    7   19    4 o  336.742   91.687   0.5872   0.2917   0.3454   0.4057   0.8461   0.4198  286.726  109.868  396.915  110.747 -110.1897 155.9998 
1 1 1    7   19    5 f  227.094   90.098   0.1705   0.2806  -0.3306   0.3689   0.8591   0.4324  181.436   85.465  397.443  112.923 -216.0067 141.6186 
1 1 1    7   19    6 o  380.841   92.527   0.7613   0.3210   0.8730   0.4461   0.6412   0.4624  398.066  115.202  347.355  119.527 50.71100 166.0068 
1 1 1    7   19    7 o  649.504   63.729   2.0557   0.3760   2.4863   0.5314   1.6242   0.5320  701.137   84.044  548.156  109.304 152.9804 137.8797 
1 1 1    7   19    8 o  362.138  103.661   0.7084   0.3630   0.3855   0.5801   0.9162   0.4653  312.064  127.495  404.453  117.836 -92.38885 173.6095 
1 1 1    7   19    9 o  524.385   87.515   1.4152   0.4074   2.5994   0.7330   0.8859   0.4901  685.240  120.655  396.001  122.238 289.2396 171.7549 
1 1 1    7   19   10 f  447.882   89.995   1.0455   0.3580   1.1737   0.4920   0.9011   0.5219  458.600  116.400  397.694  126.641 60.90649 172.0087 
1 1 1    7   19   11 o  530.057   84.029   1.4322   0.3962   1.4327   0.5350   1.4316   0.5895  508.273  116.842  499.801  127.701 8.471710 173.0881 
1 1 1    7   19   12 o  748.800   77.654   2.7886   0.5273   2.8171   0.6527   2.7351   0.8947  736.374   98.816  680.545  147.153 55.82867 177.2527 
1 1 1    7   19   13 o  718.281   86.096   2.5949   0.5577   2.8598   0.6609   1.9397   1.0394  744.787   98.877  543.163  179.175 201.6235 204.6467 
1 1 1    7   19   14 o  559.370   91.093   1.5933   0.4527   1.0436   0.6334   2.1674   0.6473  429.400  139.784  637.896  114.488 -208.4965 180.6854 
1 1 1    7   19   15 o  714.899   66.541   2.4803   0.4327   2.7085   0.5492   2.1068   0.7026  737.504   82.331  617.659  127.841 119.8452 152.0586 
1 1 1    7   19   16 o  307.756  107.609   0.4737   0.3755   0.4922   0.4899   0.4473   0.5847  321.451  121.308  324.189  129.590 -2.738220 177.5088 
1 1 1    7   19   17 o  412.240  129.342   0.9900   0.5462   0.9900   0.5462   0.0000   0.0000  412.240  129.342  ?   ?  0.000000 129.3417 
1 1 1    7   19   18 o  163.280   80.254  -0.7201   0.4193  -1.0916   0.4939   0.2377   0.7931  163.263   81.425  309.928  137.962 -146.6646 160.1985 
1 1 1    7   19   19 f  241.957  105.301   0.1257   0.4384  -0.1101   0.5563   0.5124   0.7123  237.358  109.479  318.374  136.338 -81.01617 174.8539 
1 1 1    7   19   20 o  224.812  102.225  -0.0000   0.4625  -0.0001   0.5880   0.0001   0.7491  244.264  112.624  263.532  123.390 -19.26750 167.0611 
1 1 1    7   21    0 o  910.594   51.140   3.9391   0.4268   4.1596   0.6102   3.7280   0.5971  921.409   72.558  870.008   75.326 51.40143 104.5884 
1 1 1    7   21    1 o  408.204   91.159   0.8674   0.3338   1.2230   0.4807   0.5365   0.4637  474.373  111.941  327.571  119.017 146.8019 163.3889 
1 1 1    7   21    2 f  1024.40   49.759   4.9709   0.4690   5.4960   0.6809   4.4967   0.6470  1060.30   70.186  955.396   74.182 104.8993 102.1230 
1 1 1    7   21    3 o  334.920   98.061   0.5938   0.3215   0.3625   0.4275   0.8950   0.4879  289.849  112.320  399.518  121.736 -109.6694 165.6364 
1 1 1    7   21    4 o  275.720   99.043   0.3627   0.3199   0.3453   0.4577   0.3794   0.4474  290.301  115.096  294.796  114.720 -4.495392 162.5051 
1 1 1    7   21    5 o  1051.07   50.686   5.2512   0.4902   4.9512   0.6634   5.6120   0.7275  1001.92   72.450  1064.68   74.733 -62.76337 104.0871 
1 1 1    7   21    6 o  1074.77   50.502   5.4917   0.4994   4.9655   0.6654   6.1704   0.7558  1002.83   72.605  1116.92   73.958 -114.0983 103.6395 
1 1 1    7   21    7 o  428.819  101.235   0.9904   0.3931   1.0955   0.6465   0.9287   0.4950  427.543  141.321  404.067  122.507 23.47650 187.0284 
1 1 1    7   21    8 o  392.850  110.983   0.8536   0.4189   0.5350   0.6386   1.0943   0.5550  337.720  135.277  433.674  129.318 -95.95444 187.1436 
1 1 1    7   21    9 o  322.114  105.311   0.5485   0.3594  -0.2277   0.4620   1.7372   0.5718  215.943   99.662  562.014  114.453 -346.0709 151.7626 
1 1 1    7   21   10 o  402.811   96.512   0.8620   0.3530   0.9301   0.4715   0.7751   0.5326  407.494  118.579  373.291  128.292 34.20267 174.6995 
1 1 1    7   21   11 o  475.725  107.034   1.2180   0.4572   1.3536   0.5488   0.9106   0.8265  492.172  121.836  403.598  156.238 88.57446 198.1270 
1 1 1    7   21   12 o  436.249  113.246   1.0339   0.4586   0.9153   0.5568   1.2842   0.8087  405.099  130.989  461.742  158.105 -56.64310 205.3179 
1 1 1    7   21   13 o  327.176  129.514   0.4555   0.5787   0.4626   0.9444   0.4512   0.7322  366.744  157.021  343.858  142.160 22.88644 211.8140 
1 1 1    7   21   14 o  192.701   88.198  -0.1748   0.3516  -0.2927   0.4352   0.0466   0.5965  204.474   95.177  276.276  121.462 -71.80212 154.3105 
1 1 1    7   21   15 o  390.487  103.063   0.8215   0.3757   0.8069   0.4748   0.8461   0.6146  381.081  120.729  387.434  137.473 -6.353577 182.9601 
1 1 1    7   21   16 o  336.136  119.974   0.6106   0.4687   0.2430   0.5063   2.8158   1.2401  278.812  116.966  604.429  195.495 -325.6165 227.8145 
1 1 1    7   21   17 o  496.384  104.482   1.3756   0.4621   1.4307   0.5974   1.2935   0.7292  480.990  131.305  437.267  150.118 43.72318 199.4404 
1 1 1    7   21   18 o  307.632  117.668   0.5393   0.4649   0.3625   0.5708   0.8876   0.8012  288.288  122.714  359.984  148.755 -71.69617 192.8388 
1 1 1    7   21   19 o  278.304  115.517   0.4115   0.4863  -0.2892   0.6019   1.7284   0.8251  222.754  106.159  444.842  159.131 -222.0884 191.2913 
1 1 1    7   23    0 o  1118.56   51.993   5.9556   0.5351   5.9380   0.7587   5.9730   0.7550  1094.49   75.797  1098.38   75.149 -3.890747 106.7362 
1 1 1    7   23    1 o  346.953  103.462   0.6484   0.3552   1.1102   0.5014   0.1832   0.5033  443.121  120.016  272.602  115.609 170.5190 166.6414 
1 1 1    7   23    2 o  629.078   72.451   1.9657   0.4117   2.5074   0.6004   1.4848   0.5657  692.693   96.850  512.412  121.765 180.2810 155.5850 
1 1 1    7   23    3 o  420.165   97.547   0.9434   0.3699   1.3563   0.5564   0.6165   0.4951  487.086  123.867  340.740  123.108 146.3461 174.6379 
1 1 1    7   23    4 o  217.338   92.014   0.0800   0.3180  -0.2627   0.4438   0.4418   0.4559  207.532   96.436  305.601  116.612 -98.06871 151.3217 
1 1 1    7   23    5 o  596.001   85.727   1.8195   0.4566   1.6621   0.7653   1.9064   0.5690  514.611  151.458  593.441  108.184 -78.82977 186.1271 
1 1 1    7   23    6 o  453.070  104.032   1.1132   0.4246   1.2386   0.6968   1.0392   0.5354  448.469  146.637  423.447  127.188 25.02173 194.1111 
1 1 1    7   23    7 o  627.639   88.109   2.0242   0.4948   1.4487   0.7548   2.4580   0.6553  479.939  152.239  674.837  109.268 -194.8975 187.3934 
1 1 1    7   23    8 o  179.117   85.419  -0.4183   0.3910  -0.2658   0.4587  -0.8241   0.7480  211.567   98.223  235.507  113.805 -23.93997 150.3311 
1 1 1    7   23    9 o  339.831  113.053   0.6148   0.4135   0.5910   0.4898   0.6740   0.7714  338.060  122.398  369.033  148.379 -30.97275 192.3475 
1 1 1    7   23   10 o  513.615  102.931   1.3951   0.4695   1.2657   0.5672   1.6769   0.8368  473.129  127.434  519.501  159.632 -46.37241 204.2593 
1 1 1    7   23   11 o  383.677  125.049   0.8062   0.5069  -0.5077   0.8736   1.4730   0.6223  279.882  131.741  509.371  131.777 -229.4890 186.3360 
1 1 1    7   23   12 o  505.809  119.889   1.4106   0.5495   0.7948   1.0459   1.6454   0.6458  403.597  168.626  538.680  131.445 -135.0828 213.8055 
1 1 1    7   23   13 o  338.370  113.210   0.6066   0.4145   0.8622   0.5437   0.2517   0.6407  391.468  129.605  304.655  129.854 86.81281 183.4659 
1 1 1    7   23   14 o  315.801  117.985   0.4967   0.4611   0.6050   0.6150   0.3576   0.6968  345.081  134.438  320.272  135.936 24.80911 191.1856 
1 1 1    7   23   15 o  290.654  114.688   0.3843   0.4524   0.0987   0.4921   1.9459   1.1506  255.082  111.271  495.541  186.133 -240.4593 216.8567 
1 1 1    7   23   16 o  231.453  100.944   0.0791   0.4048  -0.0084   0.5051   0.2361   0.6768  240.458  108.322  290.796  128.543 -50.33833 168.0981 
1 1 1    7   23   17 o  227.701  101.926   0.0359   0.4394   0.5241   0.5815  -0.6139   0.6709  306.051  126.621  218.473  106.094 87.57768 165.1930 
1 1 1    7   23   18 o  319.441  119.590   0.6835   0.4742   0.6391   0.5908   0.7637   0.7949  309.583  127.821  323.156  141.183 -13.57251 190.4488 
1 1 1    7   25    0 o  318.682  118.695   0.5065   0.4659   2.2567   0.9546  -0.0408   0.5338  584.597  168.337  251.198  112.402 333.3997 202.4140 
1 1 1    7   25    1 o  424.867  121.172   1.0282   0.4969   1.1229   0.9078   0.9877   0.5938  424.630  163.918  409.882  135.429 14.74774 212.6272 
1 1 1    7   25    2 o  304.269  118.665   0.4202   0.4795   0.7334   0.8965   0.2947   0.5675  378.663  156.985  296.675  124.108 81.98758 200.1177 
1 1 1    7   25    3 o  722.326  119.158   2.8889   0.7644   3.0326   1.0774   2.7432   1.0846  676.851  172.492  632.530  178.540 44.32043 248.2537 
1 1 1    7   25    4 o  354.826  134.366   0.6696   0.6024   0.4823   0.7846   0.9387   0.9401  343.664  144.962  403.185  163.202 -59.52048 218.2866 
1 1 1    7   25    5 o  519.150  100.321   1.4339   0.4619   2.6770   0.7097   0.5205   0.6084  701.026  113.937  333.306  132.524 367.7197 174.7688 
1 1 1    7   25    6 o  247.842  105.622   0.1119   0.4238   0.0216   0.5873   0.2100   0.6120  268.975  119.276  294.164  126.187 -25.18909 173.6375 
1 1 1    7   25    7 o  188.370   87.621  -0.2516   0.3678  -0.2739   0.4758  -0.2186   0.5798  215.865  100.155  244.883  112.516 -29.01848 150.6344 
1 1 1    7   25    8 o  426.882  111.305   0.9929   0.4417   1.7959   0.6232   0.1822   0.6262  569.514  122.554  295.564  127.230 273.9504 176.6551 
1 1 1    7   25    9 f  294.200  116.001   0.3511   0.4625   0.2381   0.5433   0.6483   0.8814  289.602  121.314  377.020  155.929 -87.41772 197.5621 
1 1 1    7   25   10 o  862.497  103.560   3.8848   0.8055   3.0668   1.1181   4.7671   1.1613  689.458  175.726  910.700  143.316 -221.2414 226.7583 
1 1 1    7   25   11 o  278.748  114.920   0.2509   0.4767   0.1145   0.6708   0.3900   0.6774  293.356  128.890  325.146  135.769 -31.79047 187.2051 
1 1 1    7   25   12 o  551.674   96.520   1.6048   0.4721   1.8340   0.6127   1.2698   0.7407  571.323  120.355  449.990  151.321 121.3335 193.3478 
1 1 1    7   25   13 o  652.010   90.163   2.2222   0.5265   2.0768   0.6941   2.4191   0.8079  592.469  130.809  626.716  143.224 -34.24683 193.9690 
1 1 1    7   25   14 o  276.403  119.685   0.2161   0.5607   0.4713   0.6501  -0.5255   1.1081  316.806  132.703  290.850  140.038 25.95587 192.9270 
1 1 1    7   25   15 o  334.636  126.053   0.6911   0.5284   0.6944   0.7243   0.6874   0.7726  336.985  140.521  337.323  143.154 -0.3384399 200.5968 
1 1 1    7   25   16 o  287.561  113.570   0.4776   0.4440  -0.0169   0.5376   1.5389   0.7876  235.061  108.128  426.763  155.098 -191.7012 189.0691 
1 1 1    7   25   17 o  380.000  121.190   1.0214   0.4778   1.0825   0.6096   0.9240   0.7694  367.147  135.961  331.756  141.876 35.39182 196.5054 
1 1 1    7   27    0 o  442.961  125.245   1.1179   0.5332   1.2252   0.6229   0.8237   1.0317  455.947  137.236  399.311  167.213 56.63544 216.3186 
1 1 1    7   27    1 o  586.140  112.640   1.8662   0.5854   2.2318   0.9499   1.6422   0.7434  586.868  167.591  519.057  148.275 67.81091 223.7682 
1 1 1    7   27    2 o  438.415  126.857   1.0987   0.5410   2.7460   0.9515   0.3120   0.6576  668.134  157.363  313.356  132.473 354.7785 205.6996 
1 1 1    7   27    3 o  527.478  102.788   1.4778   0.4810   0.9403   0.6521   2.1189   0.7123  404.089  141.776  610.822  130.676 -206.7327 192.8123 
1 1 1    7   27    4 o  567.760   99.067   1.6882   0.4987   2.9048   0.7379   0.6649   0.6767  736.151  112.503  362.802  141.114 373.3486 180.4718 
1 1 1    7   27    5 f  173.389   84.346  -0.6491   0.4289  -0.4891   0.5799  -0.8423   0.6374  223.406  105.814  213.440  103.594 9.966217 148.0821 
1 1 1    7   27    6 o  547.891  106.755   1.6017   0.5189   1.4018   0.6879   1.8655   0.7903  485.453  143.791  555.270  150.783 -69.81699 208.3535 
1 1 1    7   27    7 o  284.798  116.505   0.2765   0.4852  -0.0162   0.5532   1.2525   1.0100  259.736  115.442  448.038  172.918 -188.3029 207.9123 
1 1 1    7   27    8 o  349.070  140.372   0.5685   0.6905   1.7384   0.9889  -0.5445   0.9646  508.862  174.817  288.235  136.505 220.6270 221.7986 
1 1 1    7   27    9 o  349.653  131.579   0.6429   0.5755   0.9643   1.0295   0.4969   0.6941  409.360  168.841  337.726  138.887 71.63394 218.6252 
1 1 1    7   27   10 o  359.657  120.410   0.7266   0.4689   1.0351   0.6227   0.3225   0.7127  413.822  138.754  315.999  135.881 97.82266 194.2065 
1 1 1    7   27   11 o  416.253  120.909   1.0180   0.4906   0.5537   0.6223   1.7802   0.7973  331.289  133.246  516.481  155.221 -185.1913 204.5678 
1 1 1    7   27   12 o  897.207   89.811   4.2635   0.7315   3.7752   0.8674   5.4658   1.3611  803.926  121.008  875.870  175.010 -71.94427 212.7710 
1 1 1    7   27   13 o  580.677  128.677   2.1224   0.6695   1.6797   0.7795   3.3670   1.3070  473.871  155.105  584.671  200.965 -110.7997 253.8587 
1 1 1    7   27   14 o  515.790  121.880   1.7083   0.5693   2.6720   0.7955   0.6968   0.8150  617.139  142.901  326.609  142.819 290.5297 202.0346 
1 1 1    7   27   15 o  543.226  129.743   2.0614   0.6396   2.9487   0.9206   1.2333   0.8893  583.049  164.458  359.395  153.085 223.6547 224.6805 
1 1 1    7   27   16 o  561.559  160.662   2.8617   0.8721   3.7979   1.1283   1.4720   1.3746  578.423  186.416  331.142  158.528 247.2809 244.7084 
1 1 1    7   29    0 o  718.805  104.383   2.7129   0.6702   3.9955   0.8264   0.2480   1.1456  873.461  104.919  363.412  163.479 510.0489 194.2513 
1 1 1    7   29    1 o  234.695  109.048  -0.3096   0.5672  -0.0385   0.6679  -1.0107   1.0741  279.021  125.227  281.750  136.204 -2.729919 185.0230 
1 1 1    7   29    2 o  1067.47   78.374   5.6534   0.7644   6.7406   0.9465   3.6140   1.2963  1153.06   89.921  726.247  191.318 426.8160 211.3961 
1 1 1    7   29    3 o  363.936  134.090   0.7090   0.5916   0.4989   0.6893   1.2962   1.1523  340.324  139.003  450.720  181.304 -110.3952 228.4581 
1 1 1    7   29    4 o  776.085  100.995   3.1576   0.7041   4.4090   0.8634   0.6725   1.2167  914.546  104.476  395.077  173.584 519.4689 202.6001 
1 1 1    7   29    5 o  376.654  149.583   0.7585   0.7742   1.5728   1.1482   0.0797   1.0484  474.122  183.981  335.936  153.198 138.1865 239.4133 
1 1 1    7   29    6 o  772.203  136.130   3.4710   0.9319   3.5317   1.2424   3.3930   1.4093  707.419  187.740  652.886  208.120 54.53320 280.2859 
1 1 1    7   29    7 o  519.502  138.190   1.6420   0.6721   2.1036   1.1309   1.3900   0.8357  525.988  186.501  456.614  160.482 69.37408 246.0429 
1 1 1    7   29    8 o  468.539  125.966   1.3066   0.5548   1.3816   0.7230   1.1991   0.8654  459.584  149.324  422.024  160.753 37.56021 219.4070 
1 1 1    7   29    9 o  277.135  114.493   0.3032   0.4745   0.2522   0.6019   0.3869   0.7710  286.828  124.101  318.720  139.152 -31.89246 186.4518 
1 1 1    7   29   10 o  329.458  124.810   0.6365   0.5199   0.3884   0.6682   1.0169   0.8274  303.884  131.121  381.689  153.598 -77.80499 201.9529 
1 1 1    7   29   11 o  357.224  138.135   0.8727   0.6455   1.1726   0.7609   0.1022   1.2194  393.071  150.495  313.678  149.936 79.39227 212.4369 
1 1 1    7   29   12 o  303.891  124.551   0.5656   0.5558   1.1587   0.7295  -0.2554   0.8583  379.550  146.820  258.089  124.006 121.4607 192.1812 
1 1 1    7   29   13 o  268.444  117.040   0.3644   0.5438   1.6994   0.7499  -1.1157   0.7896  438.046  152.132  205.127  102.407 232.9187 183.3887 
1 1 1    7   29   14 o  355.097  141.583   1.1767   0.6962   1.7833   0.8229  -0.3499   1.3054  411.965  156.801  264.565  132.015 147.4004 204.9745 
1 1 1    7   31    0 o  338.335  127.867   0.6021   0.5448   0.3183   0.7356   0.9470   0.8108  318.267  137.450  397.375  154.491 -79.10754 206.7850 
1 1 1    7   31    1 o  166.822   83.040  -1.0910   0.5035  -1.5465   0.6539  -0.4273   0.7893  182.089   91.242  263.374  124.352 -81.28568 154.2348 
1 1 1    7   31    2 o  386.842  132.393   0.8878   0.5671   0.6091   0.7510   1.2575   0.8648  349.628  144.209  434.110  161.704 -84.48218 216.6670 
1 1 1    7   31    3 o  232.146  107.820  -0.2431   0.5536   0.2802   0.7711  -0.7999   0.7953  314.089  138.088  240.674  116.554 73.41519 180.7017 
1 1 1    7   31    4 o  735.389  110.862   3.0110   0.7269   3.5901   1.1824   2.6591   0.9216  702.315  181.609  631.783  158.730 70.53143 241.1998 
1 1 1    7   31    5 o  742.957  112.337   3.1180   0.7440   3.8853   1.2930   2.7382   0.9097  698.816  194.134  639.857  155.932 58.95917 249.0035 
1 1 1    7   31    6 o  541.407  118.801   1.7380   0.5756   1.2703   0.7548   2.3879   0.8898  423.881  152.144  578.617  161.147 -154.7365 221.6215 
1 1 1    7   31    7 o  249.995  112.430   0.0484   0.5414   0.0263   0.7072   0.0798   0.8417  271.354  124.524  290.374  134.186 -19.02011 183.0636 
1 1 1    7   31    8 o  248.777  112.641   0.0526   0.5542  -0.4050   0.7433   0.6257   0.8318  241.883  116.001  327.713  143.765 -85.83006 184.7285 
1 1 1    7   31    9 o  555.510  142.890   2.2135   0.7346   1.5728   0.8688   3.8194   1.3755  419.556  160.774  568.172  205.203 -148.6158 260.6848 
1 1 1    7   31   10 o  428.544  162.466   1.8007   0.8813   1.1091   1.1698   2.7084   1.3401  339.737  157.419  436.666  187.004 -96.92841 244.4409 
1 1 1    7   31   11 o  236.097  113.259  -0.1531   0.7097   1.5589   1.4170  -0.7264   0.8200  338.112  161.618  220.294  109.017 117.8187 194.9492 
1 1 1    7   31   12 o  221.211  110.307  -0.7910   0.9050  -0.1835   1.3430  -1.2963   1.2248  265.179  132.562  232.188  117.416 32.99100 177.0855 
1 1 1    7   33    0 o  502.331  143.496   1.7196   0.6963   2.6751   1.0082   0.8483   0.9627  580.317  174.578  360.406  156.443 219.9113 234.4187 
1 1 1    7   33    1 o  239.196  112.933  -0.2776   0.6509   0.1251   0.9792  -0.5964   0.8713  304.240  141.999  252.237  122.115 52.00354 187.2851 
1 1 1    7   33    2 o  347.656  140.016   0.7957   0.6882   2.2341   1.1254  -0.0633   0.8697  483.539  183.529  280.218  131.759 203.3206 225.9280 
1 1 1    7   33    3 o  284.502  124.463   0.3225   0.6196   0.4668   0.8320   0.1427   0.9285  313.192  140.219  295.540  138.050 17.65186 196.7717 
1 1 1    7   33    4 o  308.387  128.474   0.5600   0.6046   1.4936   0.8550  -0.3739   0.8551  417.302  159.587  254.846  122.783 162.4556 201.3543 
1 1 1    7   33    5 o  212.138  104.405  -0.8078   0.7173  -0.4418   0.8498  -1.7150   1.3378  247.207  119.899  251.294  126.533 -4.086594 174.3169 
1 1 1    7   33    6 o  516.028  137.568   1.9422   0.6651   1.9719   0.8885   1.9044   1.0032  453.471  164.747  421.911  169.359 31.56046 236.2705 
1 1 1    7   33    7 f  415.578  151.045   1.5777   0.7470   1.6667   0.9033   1.3855   1.3282  396.743  160.197  340.575  160.958 56.16882 227.0910 
1 1 1    7   33    8 o  284.196  129.783   0.5275   0.7557   0.5861   0.9095   0.3966   1.3583  290.767  136.084  289.237  142.604 1.529968 197.1162 
1 1 1    7   33    9 o  335.161  137.674   1.0804   0.6810   2.2803   0.9058  -0.4796   1.0328  439.159  165.116  240.231  119.474 198.9278 203.8073 
1 1 1    7   33   10 o  308.542  150.862   1.6032   1.4234   1.6032   1.4234   0.0000   0.0000  308.542  150.862  ?   ?  0.000000 150.8622 
1 1 1    7   35    0 o  249.418  116.451   0.0905   0.6594  -0.4835   0.8411   1.0064   1.0624  234.421  114.905  324.862  150.346 -90.44084 189.2277 
1 1 1    7   35    1 o  428.957  145.683   1.6008   0.6866   1.9633   0.8924   1.0752   1.0746  428.140  163.209  325.659  150.890 102.4815 222.2722 
1 1 1    7   35    2 o  477.398  153.477   2.0756   0.7652   2.0555   1.0145   2.1021   1.1653  405.443  167.454  384.805  169.455 20.63782 238.2343 
1 1 1    7   35    3 o  305.246  132.334   0.7766   0.6872   0.6280   0.9092   0.9746   1.0495  290.548  136.005  310.527  145.602 -19.97897 199.2416 
1 1 1    7   35    4 o  364.516  147.378   1.4093   0.7656   0.5537   0.8924   3.7967   1.4906  281.001  132.536  425.209  189.218 -144.2079 231.0180 
1 1 1    7   35    5 o  217.004  107.046  -0.4686   0.7687  -1.1628   0.8960   1.4670   1.4962  205.555  103.509  306.250  150.735 -100.6946 182.8535 
1 1 1    7   35    6 o  270.020  135.642   0.3726   1.4904   0.3726   1.4904   0.0000   0.0000  270.020  135.642  ?   ?  0.000000 135.6417 
1 1 1    8    0    0 o  1469.41   37.941   9.9638   0.5122   9.9638   0.5122   9.9638   0.5122  1469.41   37.941  1469.41   37.941 0.000000 0.000000 
1 1 1    8    0    1 o  1739.78   37.908   13.961   0.6062   13.961   0.6062   13.961   0.6062  1739.78   37.908  1739.78   37.908 0.000000 0.000000 
1 1 1    8    0    2 o  2245.98   37.810   23.254   0.7809   23.254   0.7809   23.254   0.7809  2245.98   37.810  2245.98   37.810 0.000000 0.000000 
1 1 1    8    0    3 o  1831.87   38.622   15.479   0.6504   15.479   0.6504   15.479   0.6504  1831.87   38.622  1831.87   38.622 0.000000 0.000000 
1 1 1    8    0    4 o  119.164   70.043   0.0752   0.1300   0.0752   0.1300   0.0752   0.1300  119.164   70.043  119.164   70.043 0.000000 0.000000 
1 1 1    8    0    5 o  752.086   47.585   2.6375   0.3263   2.6375   0.3263   2.6375   0.3263  752.086   47.585  752.086   47.585 0.000000 0.000000 
1 1 1    8    0    6 o  244.448   94.928   0.3773   0.2033   0.3773   0.2033   0.3773   0.2033  244.448   94.928  244.448   94.928 0.000000 0.000000 
1 1 1    8    0    7 o  1190.50   48.509   6.5628   0.5294   6.5628   0.5294   6.5628   0.5294  1190.50   48.509  1190.50   48.509 0.000000 0.000000 
1 1 1    8    0    8 o  215.186  104.468   0.3159   0.2422   0.3159   0.2422   0.3159   0.2422  215.186  104.468  215.186  104.468 0.000000 0.000000 
1 1 1    8    0    9 o  2248.72   70.077   23.477   1.4468   23.477   1.4468   23.477   1.4468  2248.72   70.077  2248.72   70.077 0.000000 0.000000 
1 1 1    8    0   10 o  1207.01   49.250   6.7680   0.5449   6.7680   0.5449   6.7680   0.5449  1207.01   49.250  1207.01   49.250 0.000000 0.000000 
1 1 1    8    0   11 o  126.271   86.885  -0.2295   0.3317  -0.2295   0.3317  -0.2295   0.3317  126.271   86.885  126.271   86.885 0.000000 0.000000 
1 1 1    8    0   12 f  1161.34   52.335   6.3011   0.5567   6.3011   0.5567   6.3011   0.5567  1161.34   52.335  1161.34   52.335 0.000000 0.000000 
1 1 1    8    0   13 o  961.083   59.251   4.3593   0.5194   4.3593   0.5194   4.3593   0.5194  961.083   59.251  961.083   59.251 0.000000 0.000000 
1 1 1    8    0   14 o  1005.47   61.155   4.7825   0.5610   4.7825   0.5610   4.7825   0.5610  1005.47   61.155  1005.47   61.155 0.000000 0.000000 
1 1 1    8    0   15 o  207.575  119.850   0.2792   0.3700   0.2792   0.3700   0.2792   0.3700  207.575  119.850  207.575  119.850 0.000000 0.000000 
1 1 1    8    0   16 o  837.040   66.953   3.3503   0.5081   3.3503   0.5081   3.3503   0.5081  837.040   66.953  837.040   66.953 0.000000 0.000000 
1 1 1    8    0   17 o  379.325  127.452   0.8908   0.3973   0.8908   0.3973   0.8908   0.3973  379.325  127.452  379.325  127.452 0.000000 0.000000 
1 1 1    8    0   18 o  140.258   95.865  -0.2169   0.3887  -0.2169   0.3887  -0.2169   0.3887  140.258   95.865  140.258   95.865 0.000000 0.000000 
1 1 1    8    0   19 o  156.643  103.643  -0.0687   0.3903  -0.0687   0.3903  -0.0687   0.3903  156.643  103.643  156.643  103.643 0.000000 0.000000 
1 1 1    8    0   20 o  141.045   99.436  -0.5540   0.5125  -0.5540   0.5125  -0.5540   0.5125  141.045   99.436  141.045   99.436 0.000000 0.000000 
1 1 1    8    0   21 o  622.320   97.217   1.9719   0.5162   1.9719   0.5162   1.9719   0.5162  622.320   97.217  622.320   97.217 0.000000 0.000000 
1 1 1    8    0   22 o  198.092  131.739  -0.0709   0.6436  -0.0709   0.6436  -0.0709   0.6436  198.092  131.739  198.092  131.739 0.000000 0.000000 
1 1 1    8    0   23 o  319.902  153.802   0.7988   0.5235   0.7988   0.5235   0.7988   0.5235  319.902  153.802  319.902  153.802 0.000000 0.000000 
1 1 1    8    0   24 o  815.925  102.741   3.4707   0.7381   3.4707   0.7381   3.4707   0.7381  815.925  102.741  815.925  102.741 0.000000 0.000000 
1 1 1    8    2    0 o  1074.47   27.231   5.3173   0.2692   5.6156   0.3878   5.0396   0.3741  1103.63   38.183  1045.45   38.889 58.17737 54.50049 
1 1 1    8    2    1 o  3550.14   26.026   58.046   0.8502   58.069   1.2042   58.024   1.2005  3548.98   36.875  3547.64   36.775 1.344727 52.07846 
1 1 1    8    2    2 o  1745.62   31.697   14.043   0.5091   14.072   0.6111   13.977   0.9207  1746.79   38.017  1738.23   57.564 8.558716 68.98431 
1 1 1    8    2    3 o  653.959   30.541   1.9707   0.1838   1.8394   0.2531   2.1172   0.2673  629.750   43.945  675.934   43.208 -46.18402 61.62876 
1 1 1    8    2    4 o  995.151   30.003   4.5630   0.2747   4.7224   0.3882   4.4030   0.3889  1011.69   41.697  976.777   43.270 34.91626 60.09095 
1 1 1    8    2    5 o  1494.89   30.193   10.295   0.4153   10.047   0.5789   10.557   0.5962  1475.88   42.624  1512.82   42.829 -36.93860 60.42514 
1 1 1    8    2    6 o  769.795   35.561   2.7309   0.2519   2.4626   0.3493   3.0216   0.3636  728.436   52.459  807.654   49.162 -79.21814 71.89483 
1 1 1    8    2    7 o  943.688   38.321   4.1057   0.3328   4.1123   0.5093   4.1008   0.4395  941.284   59.106  941.021   50.951 0.2630005 78.03484 
1 1 1    8    2    8 o  1941.77   34.487   17.386   0.6162   17.860   0.8903   16.951   0.8537  1965.75   49.219  1915.22   48.444 50.52686 69.06071 
1 1 1    8    2    9 o  1521.05   42.823   10.703   0.5994   10.366   0.7313   11.393   1.0460  1494.70   53.173  1561.29   72.809 -66.59363 90.15812 
1 1 1    8    2   10 o  1803.86   34.291   15.052   0.5692   15.081   0.7409   15.011   0.8891  1802.18   44.679  1794.29   53.848 7.890991 69.96993 
1 1 1    8    2   11 o  1254.56   39.475   7.3118   0.4557   7.0383   0.5655   7.8183   0.7696  1227.28   50.075  1285.06   65.299 -57.78516 82.28884 
1 1 1    8    2   12 o  278.513   86.784   0.3804   0.2464   0.8923   0.4083   0.0875   0.3089  413.983  106.557  221.043   91.939 192.9407 140.7379 
1 1 1    8    2   13 o  431.978   59.669   0.9037   0.2308   1.7243   0.3717   0.3886   0.2945  594.759   69.220  282.885   95.420 311.8734 117.8826 
1 1 1    8    2   14 o  577.621   52.050   1.5929   0.2737   1.5002   0.3998   1.6747   0.3754  546.227   82.079  583.376   71.433 -37.14923 108.8102 
1 1 1    8    2   15 o  556.792   55.822   1.4902   0.2821   1.8552   0.4366   1.2284   0.3697  609.182   79.803  491.516   84.815 117.6662 116.4565 
1 1 1    8    2   16 o  475.941   65.560   1.1100   0.2795   1.2591   0.4187   0.9902   0.3753  491.725   95.990  434.596   96.386 57.12912 136.0308 
1 1 1    8    2   17 o  445.953   74.415   0.9908   0.2946   1.0928   0.4432   0.9101   0.3943  451.823  108.058  413.765  103.758 38.05807 149.8075 
1 1 1    8    2   18 o  384.922   84.832   0.7536   0.2924   0.8145   0.4402   0.7055   0.3911  390.569  114.853  366.191  108.405 24.37814 157.9328 
1 1 1    8    2   19 o  427.497   85.406   0.9232   0.3242   1.3170   0.4894   0.6152   0.4328  500.523  109.319  347.188  115.669 153.3350 159.1538 
1 1 1    8    2   20 o  581.217  107.710   1.7693   0.5548   1.6333   0.8889   1.8560   0.7102  518.722  165.280  575.539  136.216 -56.81635 214.1782 
1 1 1    8    2   21 f  534.446   94.047   1.4783   0.4456   1.9690   0.9242   1.3297   0.5086  555.659  167.143  493.681  114.236 61.97852 202.4516 
1 1 1    8    2   22 o  422.182  126.466   1.0511   0.5299   0.5513   0.9739   1.2613   0.6316  359.361  156.658  452.819  138.600 -93.45718 209.1688 
1 1 1    8    2   23 o  771.256   83.579   3.1242   0.5837   3.8942   1.0172   2.7462   0.7127  769.140  149.102  684.459  117.379 84.68048 189.7608 
1 1 1    8    2   24 o  837.933   83.067   3.7833   0.6320   3.9633   0.8082   3.5000   1.0141  814.857  110.647  671.619  165.233 143.2383 198.8591 
1 1 1    8    4    0 o  1203.75   43.910   6.6869   0.4864   6.3225   0.6752   7.0800   0.7012  1166.94   63.113  1236.82   61.614 -69.87781 88.20176 
1 1 1    8    4    1 o  1735.76   31.639   13.884   0.5053   13.796   0.5879   14.133   0.9890  1729.74   36.935  1747.27   61.511 -17.53528 71.74807 
1 1 1    8    4    2 o  1319.22   32.418   8.0212   0.3935   7.8537   0.4564   8.5062   0.7767  1304.94   38.012  1355.29   62.281 -50.34558 72.96500 
1 1 1    8    4    3 o  596.396   31.954   1.6439   0.1747   1.5634   0.2399   1.7349   0.2550  580.196   45.295  611.323   45.655 -31.12677 64.31167 
1 1 1    8    4    4 o  1216.52   27.683   6.8168   0.3099   6.9156   0.4091   6.6838   0.4746  1224.79   36.303  1203.61   42.851 21.18079 56.16180 
1 1 1    8    4    5 o  582.764   33.984   1.5702   0.1814   1.6685   0.2409   1.4416   0.2758  599.825   43.959  556.001   54.607 43.82355 70.10262 
1 1 1    8    4    6 o  2066.95   26.074   19.674   0.4959   20.586   0.7084   18.797   0.6945  2113.44   36.426  2019.41   37.375 94.03235 52.18954 
1 1 1    8    4    7 o  870.532   34.625   3.4930   0.2774   3.4783   0.4248   3.5039   0.3662  865.970   53.573  870.093   45.900 -4.122070 70.54712 
1 1 1    8    4    8 o  1551.00   29.205   11.088   0.4168   10.389   0.5804   11.833   0.5989  1499.82   42.056  1600.82   40.661 -101.0012 58.49790 
1 1 1    8    4    9 o  864.956   34.787   3.4564   0.2769   3.1759   0.3840   3.7601   0.3996  825.670   50.791  899.131   48.473 -73.46082 70.20929 
1 1 1    8    4   10 o  1469.50   46.123   10.042   0.6237   9.9962   0.7539   10.141   1.1101  1462.47   56.021  1457.29   83.132 5.187866 100.2459 
1 1 1    8    4   11 o  646.219   44.544   1.9558   0.2633   1.9593   0.3759   1.9525   0.3688  640.640   64.650  639.937   63.468 0.7033691 90.59741 
1 1 1    8    4   12 o  941.210   48.970   4.1707   0.4227   4.4743   0.6220   3.9102   0.5761  963.338   70.657  900.613   70.070 62.72504 99.50990 
1 1 1    8    4   13 o  725.616   46.378   2.4855   0.3080   2.2248   0.4157   2.8029   0.4587  676.703   67.671  761.045   66.161 -84.34229 94.63964 
1 1 1    8    4   14 o  265.578   88.345   0.3451   0.2525   0.1573   0.3654   0.5168   0.3494  244.059  100.616  316.885  103.846 -72.82620 144.5941 
1 1 1    8    4   15 o  483.091   63.734   1.1402   0.2764   0.9600   0.4110   1.2890   0.3735  422.697  105.882  504.418   83.381 -81.72141 134.7720 
1 1 1    8    4   16 o  305.071   95.646   0.4777   0.2987   1.5223   0.6427   0.1899   0.3374  515.478  134.189  243.780   98.088 271.6975 166.2163 
1 1 1    8    4   17 f  722.997   60.784   2.5157   0.4006   2.9126   0.9034   2.4185   0.4470  715.112  142.295  703.864   69.940 11.24854 158.5545 
1 1 1    8    4   18 o  1060.41   46.982   5.2829   0.4584   4.9640   0.6882   5.5371   0.6146  1009.85   74.592  1075.59   62.369 -65.73724 97.23132 
1 1 1    8    4   19 o  870.160   60.294   3.6159   0.4798   4.0028   0.8108   3.4074   0.5952  887.753  101.059  834.144   78.466 53.60883 127.9448 
1 1 1    8    4   20 o  605.947   69.163   1.7900   0.3787   1.6433   0.5622   1.9120   0.5125  555.067  113.888  612.815   93.870 -57.74756 147.5873 
1 1 1    8    4   21 o  477.458  101.219   1.2102   0.4309   1.4936   0.6367   0.9707   0.5853  507.826  134.225  411.478  134.388 96.34766 189.9382 
1 1 1    8    4   22 o  455.570  104.981   1.1473   0.4310   0.9738   0.5724   1.3747   0.6551  401.554  132.984  468.757  140.664 -67.20306 193.5742 
1 1 1    8    4   23 o  701.277   91.908   2.6642   0.5788   3.1426   0.9399   2.3719   0.7346  675.866  154.500  611.425  134.248 64.44098 204.6772 
1 1 1    8    4   24 o  401.874  132.987   1.1425   0.5725   0.6230   0.7914   1.7125   0.8290  319.306  140.151  449.061  159.632 -129.7558 212.4260 
1 1 1    8    6    0 f  2265.59   30.664   23.652   0.6393   23.826   0.7332   23.103   1.3050  2273.34   35.052  2233.43   63.502 39.90796 72.53403 
1 1 1    8    6    1 o  815.357   34.708   3.0648   0.2604   3.0931   0.2949   2.9646   0.5550  818.887   39.133  795.242   76.805 23.64508 86.19962 
1 1 1    8    6    2 o  2153.82   26.648   21.368   0.5281   21.398   0.5804   21.219   1.2735  2155.12   29.268  2140.32   64.663 14.79932 70.97820 
1 1 1    8    6    3 o  648.345   26.857   1.9361   0.1602   1.9974   0.2192   1.8656   0.2349  657.234   36.379  634.734   40.420 22.50073 54.38074 
1 1 1    8    6    4 o  705.889   27.265   2.2948   0.1771   2.1896   0.2501   2.4005   0.2508  688.000   39.678  720.636   37.954 -32.63580 54.90768 
1 1 1    8    6    5 f  1544.18   25.251   10.980   0.3588   11.086   0.5117   10.877   0.5032  1551.01   35.853  1536.28   35.599 14.73035 50.52407 
1 1 1    8    6    6 o  1277.44   29.558   7.5171   0.3474   7.7468   0.5547   7.3689   0.4457  1295.63   46.531  1264.25   38.311 31.37622 60.27369 
1 1 1    8    6    7 o  1685.49   27.667   13.089   0.4291   13.131   0.6113   13.048   0.6025  1686.96   39.381  1681.71   38.933 5.259033 55.37719 
1 1 1    8    6    8 o  887.569   32.981   3.6353   0.2694   3.5061   0.3797   3.7662   0.3822  868.959   47.670  900.937   46.254 -31.97833 66.42191 
1 1 1    8    6    9 o  236.468   77.682   0.2542   0.1955   0.0394   0.2499   0.5928   0.3138  196.478   82.284  346.769   95.362 -150.2914 125.9540 
1 1 1    8    6   10 o  622.254   52.503   1.8220   0.2978   1.8717   0.4139   1.7688   0.4288  624.261   73.462  604.694   78.953 19.56769 107.8435 
1 1 1    8    6   11 o  860.043   40.039   3.4442   0.3169   3.7545   0.4643   3.1738   0.4335  890.853   56.940  818.379   57.941 72.47388 81.23607 
1 1 1    8    6   12 o  743.011   62.707   2.6498   0.4247   2.5607   0.7162   2.6982   0.5275  697.768  115.586  741.297   78.528 -43.52917 139.7379 
1 1 1    8    6   13 o  477.888   71.662   1.1291   0.3054   0.3022   0.4978   1.6282   0.3868  292.945  118.695  573.682   75.067 -280.7375 140.4409 
1 1 1    8    6   14 o  380.424   77.962   0.7339   0.2637   0.6813   0.3684   0.7892   0.3778  357.350  105.051  383.847  104.258 -26.49741 148.0049 
1 1 1    8    6   15 o  1365.26   40.806   8.7406   0.5126   9.6041   0.7514   7.9886   0.7012  1417.89   57.589  1291.99   58.980 125.8984 82.43275 
1 1 1    8    6   16 o  582.951   59.180   1.6400   0.3130   2.1764   0.4750   1.2280   0.4162  660.681   79.742  485.132   96.639 175.5493 125.2917 
1 1 1    8    6   17 o  679.462   54.820   2.2039   0.3398   1.7358   0.4830   2.6627   0.4782  582.897   93.193  738.419   71.263 -155.5223 117.3178 
1 1 1    8    6   18 o  423.492   82.733   0.9033   0.3108   0.7118   0.4615   1.0623   0.4205  368.297  119.280  450.580  103.590 -82.28333 157.9825 
1 1 1    8    6   19 o  773.486   66.146   2.8841   0.4663   2.2031   0.7097   3.4011   0.6184  639.186  125.148  830.635   81.983 -191.4484 149.6101 
1 1 1    8    6   20 o  324.026  100.781   0.5422   0.3324   0.8666   0.4983   0.2821   0.4462  398.089  123.321  281.961  113.031 116.1286 167.2841 
1 1 1    8    6   21 o  304.783  116.774   0.4295   0.4583   0.5975   0.5723   0.1292   0.7652  343.169  130.728  307.484  136.260 35.68430 188.8293 
1 1 1    8    6   22 o  479.269   92.996   1.2314   0.3953   1.7247   0.6069   0.8678   0.5210  540.652  124.553  380.811  126.916 159.8413 177.8231 
1 1 1    8    6   23 o  618.587   95.064   2.1169   0.5238   2.2033   0.8084   2.0543   0.6877  553.742  153.381  561.833  134.754 -8.090759 204.1673 
1 1 1    8    8    0 o  900.228   33.643   3.7349   0.2787   3.9540   0.3131   2.8985   0.6117  926.099   36.737  784.788   86.126 141.3114 93.63340 
1 1 1    8    8    1 o  679.059   35.677   2.1313   0.2221   2.1929   0.2483   1.8842   0.4974  688.489   39.354  630.490   88.153 57.99945 96.53874 
1 1 1    8    8    2 o  1272.66   24.786   7.4581   0.2903   7.4646   0.3645   7.4470   0.4799  1272.90   31.119  1270.78   41.040 2.125977 51.50472 
1 1 1    8    8    3 o  787.931   24.935   2.8587   0.1808   2.9525   0.2575   2.7674   0.2539  800.447   34.960  774.928   35.605 25.51971 49.89910 
1 1 1    8    8    4 o  1096.59   25.281   5.5372   0.2551   5.9596   0.3692   5.1514   0.3529  1137.20   35.284  1057.23   36.272 79.97375 50.60266 
1 1 1    8    8    5 o  986.849   29.260   4.4861   0.2657   4.5769   0.4160   4.4235   0.3453  995.939   45.390  979.512   38.314 16.42676 59.39859 
1 1 1    8    8    6 o  505.471   36.970   1.1846   0.1708   0.8818   0.2381   1.5053   0.2450  432.065   61.640  568.938   47.230 -136.8725 77.65448 
1 1 1    8    8    7 o  1288.17   35.573   7.6594   0.4217   8.1587   0.8762   7.5089   0.4810  1320.87   72.368  1274.77   41.007 46.09851 83.17860 
1 1 1    8    8    8 o  1659.80   41.445   12.758   0.6330   11.283   1.0571   13.582   0.7904  1549.93   74.118  1710.01   50.230 -160.0776 89.53477 
1 1 1    8    8    9 o  1295.68   33.200   7.7687   0.3958   8.1645   0.5736   7.4088   0.5469  1324.41   47.067  1261.62   47.112 62.79211 66.59461 
1 1 1    8    8   10 o  316.454   82.431   0.4997   0.2424   0.4456   0.3303   0.5628   0.3569  304.957  101.027  336.010  104.413 -31.05298 145.2876 
1 1 1    8    8   11 o  466.983   55.504   1.0432   0.2338   0.9280   0.3353   1.1523   0.3262  428.292   88.029  483.643   75.795 -55.35104 116.1638 
1 1 1    8    8   12 o  597.496   51.081   1.6978   0.2781   1.1728   0.3916   2.2324   0.3952  477.968   92.376  679.813   63.921 -201.8452 112.3354 
1 1 1    8    8   13 o  874.386   53.612   3.6450   0.4293   4.0547   0.6467   3.3224   0.5739  904.874   78.451  819.643   76.998 85.23059 109.9234 
1 1 1    8    8   14 o  258.083   89.532   0.3166   0.2597   0.3024   0.3586   0.3321   0.3766  269.275  103.264  277.984  106.012 -8.708893 147.9930 
1 1 1    8    8   15 o  836.783   48.472   3.3198   0.3716   2.4333   0.4903   4.5164   0.5697  699.849   77.437  965.823   64.470 -265.9749 100.7616 
1 1 1    8    8   16 o  796.530   50.308   3.0129   0.3668   3.2063   0.5229   2.8254   0.5148  809.669   70.896  757.181   74.865 52.48730 103.1072 
1 1 1    8    8   17 o  599.721   65.123   1.7438   0.3536   1.4331   0.4827   2.1036   0.5195  523.100  103.945  645.424   89.909 -122.3242 137.4342 
1 1 1    8    8   18 o  1077.40   54.772   5.5042   0.5412   5.1115   0.8744   5.7480   0.6891  1008.44   95.363  1091.72   68.950 -83.27423 117.6780 
1 1 1    8    8   19 o  276.484   98.931   0.3506   0.3189   0.3120   0.4595   0.3865   0.4430  290.465  115.276  300.998  114.928 -10.53384 162.7789 
1 1 1    8    8   20 o  580.371   71.849   1.6595   0.3755   1.8015   0.5458   1.5320   0.5174  584.363  105.376  535.702  108.687 48.66107 151.3835 
1 1 1    8    8   21 o  309.270  118.642   0.4594   0.4735  -0.2678   0.5867   1.8178   0.8018  239.314  111.096  533.176  154.485 -293.8615 190.2843 
1 1 1    8    8   22 o  282.914  106.238   0.4044   0.3748  -0.2489   0.5415   1.0053   0.5193  225.986  105.514  404.224  126.000 -178.2379 164.3449 
1 1 1    8    8   23 o  595.469  101.216   2.0320   0.5347   2.5092   0.8938   1.7660   0.6674  567.951  162.689  505.775  139.071 62.17581 214.0292 
1 1 1    8   10    0 o  1427.89   28.090   9.3900   0.3691   9.5803   0.5179   9.1936   0.5261  1441.62   39.043  1412.12   40.489 29.49817 56.24640 
1 1 1    8   10    1 o  1449.06   35.055   9.6759   0.4674   9.5191   0.5273   10.250   1.0098  1436.94   39.881  1487.46   73.776 -50.51624 83.86479 
1 1 1    8   10    2 o  1060.93   31.213   5.1852   0.3047   5.0109   0.4396   5.3464   0.4227  1042.18   45.840  1076.70   42.669 -34.52136 62.62547 
1 1 1    8   10    3 o  1727.36   43.322   13.763   0.6886   0.0000   0.0000   13.763   0.6886  ?   ?   1727.36   43.322 0.000000 43.32231 
1 1 1    8   10    4 o  2264.90   44.510   23.674   0.9276   0.0000   0.0000   23.674   0.9276  ?   ?   2264.90   44.510 0.000000 44.51045 
1 1 1    8   10    5 o  541.287   40.364   1.3598   0.1996   1.3649   0.2561   1.3519   0.3185  540.749   52.116  535.821   66.002 4.927734 84.09722 
1 1 1    8   10    6 o  689.784   33.349   2.1957   0.2117   2.1358   0.2993   2.2557   0.2994  677.501   48.322  696.544   46.992 -19.04279 67.40388 
1 1 1    8   10    7 o  1131.66   32.996   5.9168   0.3436   6.3476   0.4575   5.3594   0.5204  1170.52   42.476  1073.56   52.678 96.96350 67.66991 
1 1 1    8   10    8 o  927.368   33.615   3.9801   0.2868   3.7647   0.4064   4.1939   0.4049  897.575   49.399  949.446   46.346 -51.87128 67.73637 
1 1 1    8   10    9 o  859.848   36.582   3.4317   0.2894   3.4235   0.4141   3.4396   0.4047  853.160   53.006  855.630   51.649 -2.469421 74.00872 
1 1 1    8   10   10 f  958.017   45.790   4.2962   0.4037   4.2136   0.5589   4.3863   0.5836  938.573   65.119  956.811   66.702 -18.23877 93.21826 
1 1 1    8   10   11 o  1177.91   36.823   6.4698   0.3991   6.5071   0.5707   6.4340   0.5584  1173.03   52.872  1166.94   52.002 6.087524 74.15986 
1 1 1    8   10   12 o  501.297   62.551   1.2229   0.2823   1.1898   0.3705   1.2688   0.4357  482.932   86.563  491.654   99.710 -8.722046 132.0426 
1 1 1    8   10   13 o  416.944   84.660   0.8922   0.3137   1.3024   0.4509   0.5073   0.4368  495.584  102.270  319.336  115.585 176.2480 154.3342 
1 1 1    8   10   14 o  579.813   57.739   1.6216   0.3040   1.2526   0.4061   2.0914   0.4583  491.035   93.296  647.302   78.553 -156.2666 121.9615 
1 1 1    8   10   15 o  508.148   66.720   1.2672   0.3044   0.8949   0.4169   1.6924   0.4456  406.198  109.189  577.137   86.574 -170.9388 139.3459 
1 1 1    8   10   16 o  733.390   54.959   2.5690   0.3682   2.0974   0.5067   3.0968   0.5360  644.237   87.753  794.043   74.215 -149.8055 114.9283 
1 1 1    8   10   17 o  546.625   77.435   1.4785   0.3786   1.0421   0.6176   1.7411   0.4792  432.111  137.780  586.136   91.864 -154.0251 165.5968 
1 1 1    8   10   18 o  639.871   67.636   1.9851   0.3922   2.4102   0.5821   1.6316   0.5308  690.369   94.078  558.687  107.145 131.6826 142.5856 
1 1 1    8   10   19 f  177.843   82.027  -0.1976   0.3123  -0.2499   0.4239  -0.1355   0.4618  206.330   95.307  228.503  103.198 -22.17297 140.4754 
1 1 1    8   10   20 o  775.586   70.650   2.9575   0.4987   3.3605   0.6760   2.4764   0.7386  809.420   92.417  666.363  125.057 143.0562 155.4994 
1 1 1    8   10   21 f  533.941   97.917   1.5343   0.4634   1.8449   0.6918   1.2816   0.6240  548.984  137.297  454.161  137.508 94.82303 194.3165 
1 1 1    8   10   22 o  349.842  110.475   0.7261   0.3978   1.5295   0.5944   0.0743   0.5354  490.102  129.763  252.299  112.753 237.8021 171.9061 
1 1 1    8   10   23 o  249.679  104.596   0.2608   0.4039   0.5874   0.5990  -0.0116   0.5471  309.574  128.329  237.795  109.270 71.77895 168.5475 
1 1 1    8   12    0 o  2053.51   32.420   19.431   0.6126   18.336   0.9211   20.299   0.8203  1992.69   50.234  2097.76   42.497 -105.0677 65.79868 
1 1 1    8   12    1 o  1220.75   34.087   6.8685   0.3829   7.0355   0.6036   6.7560   0.4953  1233.92   53.159  1209.95   44.489 23.97095 69.31936 
1 1 1    8   12    2 o  1483.89   31.551   10.148   0.4308   9.6255   0.5966   10.717   0.6228  1443.95   44.900  1523.68   44.420 -79.73767 63.15939 
1 1 1    8   12    3 o  2356.56   31.205   25.601   0.6767   25.259   0.9387   25.971   0.9762  2338.57   43.624  2371.04   44.746 -32.47363 62.49196 
1 1 1    8   12    4 o  1106.89   35.319   5.6550   0.3597   5.8458   0.5085   5.4639   0.5089  1123.73   49.180  1086.17   50.922 37.56628 70.79377 
1 1 1    8   12    5 o  504.325   43.630   1.1863   0.2005   1.2414   0.2504   1.0878   0.3345  514.258   53.714  475.314   79.280 38.94479 95.76302 
1 1 1    8   12    6 o  390.227   61.650   0.7289   0.2140   0.9168   0.2504   0.2199   0.4121  438.076   64.013  275.108  109.175 162.9686 126.5576 
1 1 1    8   12    7 o  584.879   45.902   1.6019   0.2451   2.0591   0.3271   1.0170   0.3700  661.456   54.218  452.208   92.040 209.2482 106.8225 
1 1 1    8   12    8 o  1174.61   36.424   6.4060   0.3937   6.0609   0.4917   7.0222   0.6570  1139.14   46.911  1221.09   58.476 -81.95886 74.96766 
1 1 1    8   12    9 o  681.653   41.518   2.1765   0.2592   2.3983   0.3784   1.9805   0.3557  709.637   58.470  643.555   60.787 66.08252 84.34306 
1 1 1    8   12   10 o  291.300   89.776   0.4269   0.2645   0.2899   0.3772   0.5595   0.3709  272.400  105.521  330.263  106.923 -57.86313 150.2236 
1 1 1    8   12   11 f  208.643   80.986   0.1535   0.2225   0.5917   0.3334  -0.1986   0.2988  335.703  100.262  172.636   79.841 163.0667 128.1680 
1 1 1    8   12   12 o  191.894   80.152   0.0641   0.2362  -0.0803   0.3351   0.2067   0.3330  199.034   89.057  245.332   97.888 -46.29797 132.3378 
1 1 1    8   12   13 o  791.142   59.245   3.0161   0.4282   3.4449   0.6529   2.6925   0.5671  824.838   87.357  729.359   86.167 95.47925 122.7029 
1 1 1    8   12   14 o  203.094   84.485   0.0820   0.2609   0.0595   0.3762   0.1029   0.3622  230.210   98.846  233.567   98.507 -3.357758 139.5496 
1 1 1    8   12   15 o  984.042   46.828   4.5671   0.4240   5.3366   0.6237   3.9060   0.5782  1050.25   64.860  893.708   70.887 156.5457 96.08164 
1 1 1    8   12   16 o  208.000   87.337   0.0683   0.2827   0.1874   0.4127  -0.0369   0.3880  260.327  107.081  221.301   97.600 39.02580 144.8866 
1 1 1    8   12   17 o  436.926   96.404   0.9883   0.3772   0.3120   0.6253   1.3751   0.4729  316.242  131.109  513.427  103.674 -197.1855 167.1455 
1 1 1    8   12   18 o  462.879   87.804   1.0903   0.3603   1.7037   0.5321   0.5708   0.4896  570.907  105.157  339.414  122.456 231.4924 161.4105 
1 1 1    8   12   19 o  548.839   85.739   1.5293   0.4188   1.2339   0.5165   2.0966   0.7158  472.303  118.919  609.417  131.505 -137.1141 177.3001 
1 1 1    8   12   20 o  368.852  106.154   0.7496   0.3797   1.0010   0.5202   0.4629   0.5555  414.542  125.563  317.195  126.474 97.34729 178.2180 
1 1 1    8   12   21 f  291.778  116.555   0.4051   0.4726   0.6366   0.6243   0.0942   0.7234  336.721  134.136  284.974  128.887 51.74649 186.0223 
1 1 1    8   12   22 o  238.795  101.946   0.1785   0.3960   0.1289   0.6053   0.2156   0.5237  262.629  118.423  261.765  114.471 0.8646545 164.7047 
1 1 1    8   14    0 o  1873.89   32.274   16.198   0.5565   16.325   0.7839   16.069   0.7901  1878.81   45.343  1863.88   46.070 14.93567 64.64083 
1 1 1    8   14    1 o  1029.43   35.320   4.8923   0.3346   5.2571   0.4819   4.5528   0.4648  1065.42   49.158  989.921   51.207 75.50043 70.98363 
1 1 1    8   14    2 o  789.234   39.088   2.8796   0.2839   2.8336   0.4026   2.9251   0.4003  778.875   56.562  791.676   55.298 -12.80127 79.10214 
1 1 1    8   14    3 o  507.589   49.245   1.2070   0.2271   0.9988   0.3052   1.4655   0.3400  455.461   75.455  555.718   67.908 -100.2568 101.5136 
1 1 1    8   14    4 f  522.856   58.114   1.2919   0.2749   1.2338   0.3502   1.3850   0.4436  505.629   77.756  531.105   94.227 -25.47620 122.1665 
1 1 1    8   14    5 o  718.785   50.120   2.4204   0.3294   2.2416   0.4062   2.7637   0.5630  687.389   64.993  757.485   82.088 -70.09631 104.7015 
1 1 1    8   14    6 o  396.183   68.033   0.7625   0.2391   0.7958   0.3338   0.7275   0.3426  397.704   92.893  379.223   97.606 18.48083 134.7444 
1 1 1    8   14    7 o  957.928   38.053   4.2688   0.3354   4.2825   0.4197   4.2445   0.5581  956.474   47.683  943.466   64.679 13.00836 80.35560 
1 1 1    8   14    8 o  1028.65   38.871   4.9349   0.3679   4.5860   0.4620   5.5395   0.6082  985.546   51.124  1077.31   61.612 -91.76959 80.06103 
1 1 1    8   14    9 o  201.477   80.245   0.1208   0.2234   0.0748   0.2859   0.1929   0.3580  210.142   88.012  249.892  100.868 -39.74953 133.8674 
1 1 1    8   14   10 o  437.597   74.950   0.9591   0.2909   0.7752   0.3954   1.1763   0.4296  379.148  108.076  470.974  102.082 -91.82581 148.6645 
1 1 1    8   14   11 o  1206.84   42.116   6.8455   0.4677   6.8738   0.6077   6.8044   0.7325  1200.40   55.017  1182.06   67.625 18.34119 87.17760 
1 1 1    8   14   12 o  572.491   57.571   1.5830   0.2992   1.9680   0.4448   1.2651   0.4042  626.703   78.886  493.192   92.472 133.5112 121.5489 
1 1 1    8   14   13 o  1171.40   51.077   6.5144   0.5506   5.5729   0.7528   7.5972   0.8073  1059.93   77.724  1245.87   70.710 -185.9430 105.0761 
1 1 1    8   14   14 o  118.456   58.701  -0.5352   0.2408  -0.6543   0.3276  -0.3952   0.3551  141.706   69.898  170.725   81.412 -29.01947 107.3010 
1 1 1    8   14   15 o  1049.09   47.307   5.1875   0.4567   4.4035   0.6229   6.0986   0.6715  949.678   71.813  1123.88   65.214 -174.2000 97.00475 
1 1 1    8   14   16 o  423.476   97.401   0.9334   0.3716   0.6899   0.6103   1.0769   0.4685  369.114  136.164  447.618  113.568 -78.50385 177.3087 
1 1 1    8   14   17 o  186.930   84.769  -0.1349   0.3153   0.0791   0.4464  -0.3480   0.4455  251.837  107.891  203.210   95.148 48.62666 143.8528 
1 1 1    8   14   18 o  439.088   94.765   1.0058   0.3717   1.5492   0.5599   0.5778   0.4969  532.860  117.371  338.645  123.176 194.2152 170.1426 
1 1 1    8   14   19 o  389.279  109.909   0.8370   0.4110   1.4257   0.5501   0.0935   0.6182  502.250  120.560  280.671  123.514 221.5790 172.5989 
1 1 1    8   14   20 o  399.095  109.557   0.9100   0.4146   0.9388   0.5683   0.8774   0.6061  390.906  132.544  378.358  136.279 12.54834 190.1047 
1 1 1    8   14   21 o  399.461  128.498   1.0436   0.5363   2.0378   0.8001   0.2327   0.7226  527.579  154.753  288.830  129.892 238.7486 202.0404 
1 1 1    8   14   22 o  459.722  113.368   1.3329   0.4766   1.2266   0.6660   1.4446   0.6822  396.138  142.828  429.454  145.228 -33.31662 203.6936 
1 1 1    8   16    0 o  1195.60   40.719   6.6290   0.4480   6.0926   0.5566   7.6157   0.7549  1143.12   52.912  1272.35   64.693 -129.2291 83.57591 
1 1 1    8   16    1 f  883.032   44.496   3.6322   0.3604   3.5832   0.4648   3.7062   0.5707  873.236   58.178  883.803   70.766 -10.56696 91.61060 
1 1 1    8   16    2 o  1054.19   42.758   5.1643   0.4148   5.8911   0.5561   4.2530   0.6227  1122.68   53.831  945.562   72.107 177.1222 89.98425 
1 1 1    8   16    3 o  375.297   69.648   0.6866   0.2317   0.9276   0.3348   0.4653   0.3209  432.197   87.191  310.270   99.353 121.9278 132.1868 
1 1 1    8   16    4 f  699.951   46.687   2.2973   0.2990   2.0599   0.4136   2.5570   0.4326  655.034   69.694  732.446   64.864 -77.41223 95.20773 
1 1 1    8   16    5 f  1295.13   39.567   7.8117   0.4715   8.1022   0.6690   7.5249   0.6647  1311.38   55.443  1262.84   57.203 48.53589 79.66220 
1 1 1    8   16    6 o  220.668   84.840   0.1746   0.2424   0.1821   0.3502   0.1677   0.3359  248.083   99.895  242.098   97.714 5.984802 139.7390 
1 1 1    8   16    7 o  394.351   77.158   0.7803   0.2700   0.9279   0.3986   0.6553   0.3669  419.248  103.859  353.505  105.086 65.74240 147.7492 
1 1 1    8   16    8 o  270.807   93.071   0.3535   0.2803   0.6400   0.4059   0.0924   0.3876  347.605  111.792  238.774  101.365 108.8304 150.9048 
1 1 1    8   16    9 o  895.554   44.653   3.7787   0.3680   3.7720   0.4677   3.7897   0.5961  886.191   57.672  876.057   74.658 10.13367 94.33905 
1 1 1    8   16   10 o  225.189   89.635   0.1689   0.2786   0.1498   0.3670   0.1948   0.4280  241.752  100.349  261.465  108.443 -19.71260 147.7490 
1 1 1    8   16   11 o  431.669   78.192   0.9449   0.2991   0.9122   0.3796   0.9986   0.4860  412.456  100.852  421.547  119.704 -9.091492 156.5251 
1 1 1    8   16   12 f  810.947   71.520   3.2382   0.5282   3.9524   0.6719   2.0822   0.8547  886.380   83.356  578.036  156.746 308.3444 177.5321 
1 1 1    8   16   13 o  1195.06   48.328   6.7566   0.5314   6.7922   0.6833   6.7020   0.8455  1185.56   62.859  1161.07   79.618 24.48962 101.4417 
1 1 1    8   16   14 o  539.869   75.218   1.4478   0.3635   1.5444   0.4710   1.3054   0.5716  545.100   97.489  481.633  127.116 63.46689 160.1956 
1 1 1    8   16   15 o  533.031   93.818   1.4560   0.4434   0.5942   0.6377   2.2620   0.6168  355.255  137.320  659.180  105.224 -303.9252 173.0000 
1 1 1    8   16   16 o  742.066   57.726   2.6345   0.3911   2.5293   0.5452   2.7459   0.5612  711.593   84.944  742.628   83.586 -31.03522 119.1723 
1 1 1    8   16   17 o  611.741   69.020   1.8326   0.3817   1.8560   0.5539   1.8113   0.5268  593.440  105.289  589.156  100.798 4.284302 145.7604 
1 1 1    8   16   18 o  607.326   80.596   1.8630   0.4393   2.7695   0.6008   0.8218   0.6439  733.717   90.939  381.561  140.001 352.1552 166.9437 
1 1 1    8   16   19 o  728.776   69.349   2.6484   0.4594   2.5190   0.6449   2.7817   0.6548  676.776  107.117  716.670  102.182 -39.89404 148.0379 
1 1 1    8   16   20 o  364.392  111.128   0.7918   0.4065   0.1382   0.5219   1.8000   0.6481  257.319  113.352  529.824  133.112 -272.5045 174.8361 
1 1 1    8   16   21 o  258.319  116.074   0.1655   0.5757   1.0001   0.7342  -1.1660   0.9274  359.851  144.733  227.561  113.180 132.2903 183.7317 
1 1 1    8   18    0 o  365.898   74.492   0.6619   0.2423   0.7365   0.3320   0.5769   0.3544  380.563   95.076  338.605  103.854 41.95792 140.8018 
1 1 1    8   18    1 o  516.238   57.718   1.2719   0.2695   1.1745   0.3773   1.3733   0.3850  484.755   87.829  527.598   81.959 -42.84305 120.1299 
1 1 1    8   18    2 f  491.418   61.198   1.1610   0.2707   1.3149   0.3915   1.0199   0.3748  513.588   85.867  447.743   93.972 65.84583 127.2943 
1 1 1    8   18    3 o  1154.49   40.881   6.2232   0.4343   6.5304   0.6164   5.9204   0.6120  1174.55   57.034  1115.34   59.848 59.20886 82.67189 
1 1 1    8   18    4 o  307.014   87.213   0.4792   0.2579   0.6777   0.3543   0.2553   0.3763  360.225  102.168  266.109  104.724 94.11581 146.3054 
1 1 1    8   18    5 o  726.403   51.944   2.5081   0.3449   2.1988   0.4609   2.9020   0.5200  667.588   76.399  769.154   74.407 -101.5654 106.6454 
1 1 1    8   18    6 f  529.998   69.604   1.3825   0.3312   1.0436   0.4322   1.8650   0.5157  440.362  107.584  600.387   96.615 -160.0247 144.5990 
1 1 1    8   18    7 o  851.032   52.178   3.4538   0.4066   3.6805   0.5716   3.2215   0.5786  864.782   72.495  803.672   79.278 61.11029 107.4269 
1 1 1    8   18    8 o  481.471   78.958   1.1727   0.3377   0.8517   0.4668   1.5251   0.4891  390.461  119.089  534.885  103.110 -144.4240 157.5241 
1 1 1    8   18    9 f  721.874   69.481   2.5642   0.4558   2.2001   0.7476   2.7797   0.5751  615.455  135.657  739.427   86.139 -123.9720 160.6944 
1 1 1    8   18   10 o  421.725   91.670   0.9335   0.3456   0.7777   0.4816   1.0989   0.4962  373.537  121.899  441.658  119.285 -68.12134 170.5534 
1 1 1    8   18   11 o  819.921   53.237   3.2162   0.3995   3.0024   0.4968   3.6074   0.6719  781.446   69.829  841.767   88.050 -60.32098 112.3786 
1 1 1    8   18   12 o  792.969   74.518   3.1108   0.5374   3.4176   0.6634   2.5255   0.9162  819.241   89.462  641.092  156.648 178.1490 180.3943 
1 1 1    8   18   13 o  565.326   68.656   1.5678   0.3498   1.2823   0.4212   2.2029   0.6281  496.424   95.676  643.459  110.033 -147.0352 145.8118 
1 1 1    8   18   14 o  427.510  107.588   0.9762   0.4229   0.1065   0.5658   2.0771   0.6366  278.908  120.499  623.346  115.224 -344.4372 166.7231 
1 1 1    8   18   15 o  512.066   85.922   1.3272   0.3905   1.1847   0.5059   1.5373   0.6143  465.881  117.903  525.207  128.234 -59.32578 174.1981 
1 1 1    8   18   16 o  747.884   67.595   2.7265   0.4601   2.4930   0.5749   3.1427   0.7675  699.047   91.581  768.643  111.797 -69.59558 144.5186 
1 1 1    8   18   17 o  504.159  122.910   1.4442   0.5650   1.4442   0.5650   0.0000   0.0000  504.159  122.910  ?   ?  0.000000 122.9100 
1 1 1    8   18   18 o  294.854  115.619   0.4095   0.4571   0.1134   0.5097   1.6261   1.0332  259.540  113.232  465.217  176.023 -205.6771 209.2979 
1 1 1    8   18   19 o  356.040  118.415   0.7712   0.4537   1.0259   0.5641   0.3048   0.7634  397.008  132.042  302.841  135.040 94.16638 188.8670 
1 1 1    8   18   20 o  188.242   88.484  -0.2191   0.3917  -0.2199   0.5572  -0.2184   0.5508  221.972  104.706  220.978  104.195 0.9937286 147.7157 
1 1 1    8   20    0 f  637.051   58.227   1.9467   0.3375   2.0055   0.4708   1.8845   0.4843  634.089   82.647  610.882   88.748 23.20764 121.2711 
1 1 1    8   20    1 o  261.801   90.333   0.3244   0.2642  -0.0426   0.3545   0.7831   0.3963  211.022   93.165  382.893  107.868 -171.8710 142.5314 
1 1 1    8   20    2 o  525.349   68.258   1.3537   0.3222   1.6682   0.4594   1.0495   0.4519  571.759   90.321  440.254  111.449 131.5049 143.4532 
1 1 1    8   20    3 o  122.097   60.671  -0.6130   0.2641  -0.5580   0.3780  -0.6655   0.3691  164.839   79.954  154.499   75.807 10.34041 110.1787 
1 1 1    8   20    4 o  335.974   94.584   0.5942   0.3048   1.2970   0.4451  -0.0266   0.4183  494.528  101.213  228.511  101.030 266.0169 143.0076 
1 1 1    8   20    5 o  457.122   81.933   1.0660   0.3320   1.3973   0.4510   0.6742   0.4905  514.336   98.884  353.318  123.012 161.0182 157.8285 
1 1 1    8   20    6 o  1047.95   50.452   5.2179   0.4865   5.4626   0.6820   4.9644   0.6942  1054.37   70.706  1000.04   76.008 54.33289 103.8102 
1 1 1    8   20    7 o  486.980   81.549   1.2088   0.3525   1.6399   0.5163   0.8322   0.4825  552.431  105.409  384.456  121.690 167.9750 160.9956 
1 1 1    8   20    8 o  214.624   94.522  -0.0159   0.3627  -0.1584   0.5915   0.0699   0.4591  251.234  114.764  248.932  108.042 2.302567 157.6198 
1 1 1    8   20    9 o  348.149  109.091   0.6576   0.3887   1.6132   0.6840   0.2020   0.4723  519.285  139.977  269.675  113.045 249.6096 179.9239 
1 1 1    8   20   10 o  425.861   97.098   0.9643   0.3720   0.5109   0.4793   1.6513   0.5900  321.295  120.248  542.678  121.217 -221.3830 170.7426 
1 1 1    8   20   11 o  1203.35   55.387   6.9114   0.6133   7.4365   0.8634   6.3768   0.8713  1225.99   76.927  1126.73   84.655 99.25977 114.3862 
1 1 1    8   20   12 o  317.544  113.871   0.4990   0.4227   1.0236   0.5284  -0.4343   0.7047  427.226  125.876  254.413  119.298 172.8126 173.4264 
1 1 1    8   20   13 o  230.671  102.147  -0.0440   0.4293   0.1682   0.5392  -0.4112   0.7093  281.167  119.467  257.997  120.563 23.16998 169.7290 
1 1 1    8   20   14 o  330.986  108.352   0.5689   0.3804   0.3989   0.4801   0.8557   0.6235  305.667  118.868  393.979  138.605 -88.31241 182.5950 
1 1 1    8   20   15 o  431.891   97.782   0.9865   0.3796   1.4090   0.4940   0.3776   0.5930  511.562  108.319  314.528  128.749 197.0340 168.2541 
1 1 1    8   20   16 o  206.005   95.111  -0.2153   0.4214  -0.1252   0.4599  -0.6867   1.0519  225.139  102.206  288.835  138.379 -63.69528 172.0314 
1 1 1    8   20   17 o  220.224   98.401  -0.0322   0.4076   0.1928   0.5253  -0.3725   0.6460  270.925  116.579  238.654  112.626 32.27061 162.0963 
1 1 1    8   20   18 o  643.186   87.614   2.2192   0.5050   1.9505   0.6339   2.6863   0.8357  561.504  125.804  632.987  146.400 -71.48340 193.0272 
1 1 1    8   20   19 o  171.341   83.678  -0.5651   0.4340  -0.6214   0.5474  -0.4697   0.7123  192.789   94.113  229.391  110.899 -36.60161 145.4503 
1 1 1    8   20   20 o  342.936  162.525   1.3627   1.3721   1.3627   1.3721   0.0000   0.0000  342.936  162.525  ?   ?  0.000000 162.5252 
1 1 1    8   22    0 o  872.367   56.643   3.6537   0.4522   3.5461   0.6318   3.7667   0.6476  839.959   82.820  866.380   82.217 -26.42126 116.6996 
1 1 1    8   22    1 o  297.678  102.903   0.4465   0.3429   0.8386   0.4998   0.0979   0.4713  386.375  124.025  255.863  110.263 130.5117 165.9522 
1 1 1    8   22    2 o  339.581   98.763   0.6146   0.3271   0.4836   0.4622   0.7462   0.4631  314.922  118.032  367.321  119.522 -52.39886 167.9788 
1 1 1    8   22    3 o  436.518   89.757   0.9947   0.3485   0.9632   0.5054   1.0232   0.4812  411.117  123.582  426.243  118.438 -15.12558 171.1719 
1 1 1    8   22    4 o  369.258   99.029   0.7329   0.3434   0.5141   0.4832   0.9563   0.4882  321.446  120.642  410.461  121.013 -89.01511 170.8755 
1 1 1    8   22    5 o  684.776   67.238   2.3038   0.4182   2.5810   0.5969   2.0365   0.5861  704.622   94.440  614.766  107.524 89.85583 143.1094 
1 1 1    8   22    6 o  526.018   78.350   1.3988   0.3677   1.8000   0.5174   0.9896   0.5225  582.672  100.111  414.352  125.914 168.3202 160.8620 
1 1 1    8   22    7 o  746.737   98.773   2.9263   0.6620   2.8894   0.8441   2.9853   1.0672  706.844  134.695  673.066  171.745 33.77844 218.2641 
1 1 1    8   22    8 o  662.129  100.426   2.3129   0.5927   1.9107   0.7719   2.8905   0.9250  558.611  147.860  690.868  149.823 -132.2570 210.4980 
1 1 1    8   22    9 o  951.682   69.486   4.4396   0.6043   4.5696   0.7104   4.0995   1.1492  954.620   81.664  819.331  158.154 135.2899 177.9934 
1 1 1    8   22   10 o  352.815  108.502   0.6680   0.3865   0.7432   0.5342   0.5853   0.5599  369.300  128.395  342.649  129.598 26.65155 182.4303 
1 1 1    8   22   11 o  334.247  116.361   0.5739   0.4388   0.2451   0.5178   1.4118   0.8267  287.015  119.177  479.538  159.871 -192.5232 199.4040 
1 1 1    8   22   12 o  575.419  109.463   1.7631   0.5584   1.0072   0.9835   2.1226   0.6783  424.375  168.575  622.248  122.834 -197.8728 208.5802 
1 1 1    8   22   13 o  321.474  112.738   0.5251   0.4123   0.4360   0.5373   0.6527   0.6430  317.110  125.030  359.747  138.203 -42.63654 186.3668 
1 1 1    8   22   14 o  489.660   92.705   1.2528   0.4024   0.9317   0.5093   1.7866   0.6566  404.584  124.562  557.109  130.390 -152.5248 180.3254 
1 1 1    8   22   15 o  296.871  116.890   0.4002   0.4690   0.7729   0.5279  -0.9976   1.0223  366.733  127.620  267.413  130.113 99.32043 182.2534 
1 1 1    8   22   16 o  346.083  113.473   0.6927   0.4171   0.6317   0.5070   0.8208   0.7339  333.098  123.862  365.484  145.482 -32.38593 191.0680 
1 1 1    8   22   17 o  811.138   75.419   3.4144   0.5565   4.8600   0.7497   1.6411   0.8304  952.035   86.527  455.750  159.981 496.2846 181.8817 
1 1 1    8   22   18 o  271.113  112.348   0.3807   0.4589   0.2096   0.5772   0.6745   0.7565  260.763  116.763  318.016  138.361 -57.25296 181.0454 
1 1 1    8   22   19 o  269.642  133.068  -0.2659   1.1923  -0.2659   1.1923   0.0000   0.0000  269.642  133.068  ?   ?  0.000000 133.0681 
1 1 1    8   24    0 o  737.568   66.577   2.6641   0.4470   2.9938   0.6261   2.3214   0.6383  763.154   90.955  656.121  109.588 107.0332 142.4167 
1 1 1    8   24    1 o  252.450   99.156   0.2463   0.3367   0.0513   0.4719   0.4485   0.4806  249.180  108.826  309.687  119.347 -60.50708 161.5143 
1 1 1    8   24    2 o  658.437   72.112   2.1514   0.4298   2.7224   0.6163   1.6108   0.5996  723.435   94.862  531.474  124.753 191.9603 156.7228 
1 1 1    8   24    3 o  629.194   95.775   2.0714   0.5370   2.1636   0.6281   1.8208   1.0354  629.519  112.560  509.320  178.652 120.1986 211.1541 
1 1 1    8   24    4 o  649.755   91.159   2.1844   0.5300   2.6135   0.6572   1.3859   0.8965  699.240  105.414  459.235  165.695 240.0048 196.3844 
1 1 1    8   24    5 o  892.933   77.439   3.9827   0.6300   3.9354   1.0483   4.0095   0.7882  814.078  145.279  874.052   99.785 -59.97443 176.2465 
1 1 1    8   24    6 o  742.148   81.757   2.7783   0.5491   3.4975   0.9102   2.3669   0.6884  784.922  130.604  654.342  118.709 130.5797 176.4917 
1 1 1    8   24    7 o  501.310  111.777   1.3753   0.5025   1.4365   0.8113   1.3371   0.6400  476.458  158.346  474.836  138.154 1.622070 210.1422 
1 1 1    8   24    8 o  457.838   99.786   1.1114   0.4085   0.6643   0.5311   1.7594   0.6393  354.241  127.566  558.334  127.274 -204.0927 180.1995 
1 1 1    8   24    9 o  1117.15   57.936   5.9779   0.5935   5.5850   0.8049   6.4462   0.8787  1057.74   83.371  1135.29   84.725 -77.54248 118.8659 
1 1 1    8   24   10 o  497.566  144.090   1.4647   0.6977   1.1409   0.9967   1.7756   0.9768  438.080  171.020  522.027  173.766 -83.94623 243.8082 
1 1 1    8   24   11 o  476.762  122.095   1.2722   0.5380   1.6820   0.9625   1.0859   0.6488  506.903  172.488  430.860  141.528 76.04248 223.1196 
1 1 1    8   24   12 f  285.889  110.549   0.3554   0.4134   0.2272   0.5708   0.4968   0.5996  289.777  123.017  329.957  131.449 -40.17957 180.0335 
1 1 1    8   24   13 o  658.536   89.955   2.2497   0.5308   1.2390   0.6879   3.7372   0.8345  445.403  145.709  826.340  112.694 -380.9373 184.2043 
1 1 1    8   24   14 o  273.363  118.558   0.1792   0.5520  -0.0129   0.6313   0.8030   1.1375  265.541  120.223  379.462  167.244 -113.9204 205.9715 
1 1 1    8   24   15 o  407.226  111.395   0.9825   0.4295   1.0045   0.5478   0.9474   0.6920  395.608  130.047  376.122  143.633 19.48615 193.7595 
1 1 1    8   24   16 o  302.683  114.133   0.5435   0.4334   0.3772   0.5401   0.8446   0.7265  282.077  119.697  346.335  142.225 -64.25812 185.8904 
1 1 1    8   24   17 o  274.182  112.353   0.4268   0.4522   0.2212   0.5515   0.8484   0.7897  255.595  114.318  328.487  142.137 -72.89262 182.4048 
1 1 1    8   26    0 o  411.857  150.719   1.0059   0.7456   0.6264   1.0344   1.4163   1.0756  379.451  163.433  461.066  178.302 -81.61499 241.8722 
1 1 1    8   26    1 o  664.347  100.118   2.3213   0.5930   1.9788   1.0555   2.4793   0.7169  532.490  180.639  668.697  120.956 -136.2078 217.3951 
1 1 1    8   26    2 o  941.068   78.909   4.4219   0.6770   3.9538   1.2191   4.6307   0.8141  781.372  174.017  947.294   94.658 -165.9218 198.0960 
1 1 1    8   26    3 o  295.475  118.077   0.3541   0.4853   0.9241   0.9368   0.1450   0.5673  404.826  163.248  279.349  120.674 125.4770 203.0078 
1 1 1    8   26    4 o  259.286  113.113   0.0645   0.5085   1.3129   0.9099  -0.5027   0.6133  454.226  166.459  228.934  108.544 225.2915 198.7218 
1 1 1    8   26    5 o  295.514  114.549   0.3794   0.4447   0.3823   0.6302   0.3766   0.6277  319.369  131.948  318.333  131.618 1.035980 186.3694 
1 1 1    8   26    6 o  379.189  114.927   0.7859   0.4357   0.7159   0.5764   0.8793   0.6657  365.990  132.733  395.613  142.772 -29.62296 194.9408 
1 1 1    8   26    7 o  1001.38   63.706   4.8492   0.5840   3.7466   0.7475   6.5760   0.9354  853.014   96.955  1140.25   89.884 -287.2365 132.2095 
1 1 1    8   26    8 o  334.034  124.928   0.5528   0.5172   0.2215   0.8354   0.7587   0.6586  327.921  143.962  376.115  140.914 -48.19427 201.4493 
1 1 1    8   26    9 o  375.874  144.172   0.7576   0.6991   0.5674   1.0117   0.9313   0.9671  374.522  161.470  408.291  165.438 -33.76837 231.1758 
1 1 1    8   26   10 o  265.788  114.793   0.1206   0.5132   0.3660   0.6014  -0.5361   0.9839  310.835  128.700  289.077  137.182 21.75757 188.1031 
1 1 1    8   26   11 o  375.907  118.714   0.8051   0.4594   0.7668   0.5992   0.8597   0.7154  366.702  134.977  382.790  146.079 -16.08810 198.8920 
1 1 1    8   26   12 o  392.551  133.488   0.9473   0.5764   0.8853   0.6890   1.0919   1.0523  378.948  143.655  403.242  168.870 -24.29413 221.7062 
1 1 1    8   26   13 o  444.124  131.952   1.2639   0.5786   1.1717   0.6651   1.5508   1.1732  415.368  143.330  426.822  178.486 -11.45389 228.9123 
1 1 1    8   26   14 o  414.938  125.944   1.1293   0.5230   0.2870   0.6828   2.3252   0.8135  286.882  127.833  564.752  152.831 -277.8705 199.2450 
1 1 1    8   26   15 o  466.803  131.096   1.5333   0.5863   1.3591   0.7955   1.7405   0.8675  393.347  152.996  432.554  161.787 -39.20694 222.6718 
1 1 1    8   26   16 o  456.888  123.903   1.4805   0.5341   1.8502   0.6772   0.8724   0.8686  478.614  142.873  318.500  142.885 160.1137 202.0612 
1 1 1    8   28    0 o  577.138   94.794   1.7203   0.4859   1.5650   0.6828   1.8797   0.6917  517.701  139.971  574.708  133.380 -57.00629 193.3440 
1 1 1    8   28    1 f  182.776   89.588  -0.8592   0.5112   0.6600   0.8159  -1.8411   0.6559  373.174  151.687  174.652   88.026 198.5217 175.3781 
1 1 1    8   28    2 f  894.695   82.115   3.9978   0.6685   4.3835   1.0999   3.7719   0.8418  875.304  141.379  842.374  111.329 32.93036 179.9502 
1 1 1    8   28    3 o  282.818  115.703   0.2684   0.4786   0.4461   0.6685   0.0814   0.6854  332.957  136.541  293.763  129.630 39.19397 188.2754 
1 1 1    8   28    4 o  301.462  117.927   0.3899   0.4747   0.4920   0.6703   0.2871   0.6723  338.569  137.538  313.569  133.324 25.00040 191.5512 
1 1 1    8   28    5 o  901.127   73.885   4.0061   0.6073   4.2171   0.8357   3.7701   0.8839  897.282  103.092  832.219  118.794 65.06299 157.2896 
1 1 1    8   28    6 o  508.686  130.259   1.4944   0.6124   1.9982   1.0424   1.2290   0.7567  537.727  179.527  446.408  152.935 91.31934 235.8371 
1 1 1    8   28    7 o  214.559  104.586  -0.9092   0.6690  -1.6448   0.9038  -0.0177   0.9950  226.285  112.409  322.300  147.829 -96.01476 185.7128 
1 1 1    8   28    8 o  994.228   86.602   5.0593   0.7844   5.1025   0.9250   4.9487   1.4798  976.715  104.547  824.212  197.664 152.5030 223.6091 
1 1 1    8   28    9 o  555.312  110.120   1.7178   0.5428   1.5771   0.7301   1.8918   0.8117  493.316  148.597  534.022  155.644 -40.70599 215.1886 
1 1 1    8   28   10 o  219.268  101.743  -0.2104   0.4912  -0.1943   0.6565  -0.2310   0.7405  252.259  117.244  262.766  122.918 -10.50725 169.8673 
1 1 1    8   28   11 o  236.989  109.758  -0.1454   0.5677  -0.6073   0.6584   1.1931   1.1209  220.698  106.678  392.034  169.486 -171.3362 200.2639 
1 1 1    8   28   12 o  388.374  128.149   1.0117   0.5317   0.9890   0.6703   1.0500   0.8732  370.627  141.408  368.590  154.044 2.037201 209.1070 
1 1 1    8   28   13 o  224.000  103.846  -0.0677   0.5100  -0.4350   0.6459   0.5407   0.8314  218.987  105.804  305.795  138.251 -86.80850 174.0920 
1 1 1    8   28   14 o  259.093  115.318   0.2998   0.5539   0.1830   0.7457   0.4435   0.8274  262.982  123.124  285.691  132.381 -22.70905 180.7878 
1 1 1    8   28   15 o  268.850  132.822   0.0463   1.1991   0.0000   0.0000   0.0463   1.1991  ?   ?   268.850  132.822 0.000000 132.8218 
1 1 1    8   30    0 o  412.245  138.527   0.9948   0.6207   2.1943   0.7442  -1.7458   1.1250  615.566  135.101  257.923  127.648 357.6428 185.8665 
1 1 1    8   30    1 o  598.570  123.351   2.0140   0.6568   2.1788   0.7525   1.4872   1.3457  609.760  137.411  462.400  192.071 147.3608 236.1637 
1 1 1    8   30    2 o  417.699  142.123   1.0471   0.6534   0.4243   0.7518   2.9699   1.3211  333.914  141.434  620.252  201.871 -286.3385 246.4860 
1 1 1    8   30    3 o  255.657  115.987  -0.0958   0.5911   0.6367   0.6911  -2.0930   1.1412  353.156  140.986  246.655  123.135 106.5010 187.1875 
1 1 1    8   30    4 o  344.206  143.065   0.5516   0.7473   0.7157   0.9807   0.3244   1.1540  375.820  160.432  355.729  161.644 20.09164 227.7442 
1 1 1    8   30    5 o  303.169  137.137   0.0872   0.8193   1.6967   1.1202  -1.7640   1.2013  472.024  182.123  261.238  129.742 210.7862 223.6103 
1 1 1    8   30    6 o  263.117  123.288  -0.2786   0.7503   1.0101   1.0676  -1.5364   1.0547  395.804  168.137  247.329  122.617 148.4749 208.0986 
1 1 1    8   30    7 o  356.034  141.178   0.7614   0.6887   0.9506   1.1145   0.6445   0.8759  383.011  167.259  348.979  150.351 34.03174 224.9020 
1 1 1    8   30    8 f  804.142   88.383   3.4537   0.6432   3.5969   0.8980   3.3030   0.9217  759.731  133.321  708.315  146.256 51.41632 197.9022 
1 1 1    8   30    9 o  619.054  126.296   2.4065   0.6951   2.2425   0.8393   2.7644   1.2399  545.997  158.025  518.491  193.522 27.50549 249.8451 
1 1 1    8   30   10 o  282.950  124.727   0.3482   0.6329   0.0821   0.7402   1.0717   1.2205  268.988  124.843  353.758  162.800 -84.77039 205.1579 
1 1 1    8   30   11 o  175.987   87.230  -0.8270   0.5328  -0.6238   0.6962  -1.1141   0.8276  213.891  104.778  211.526  105.479 2.364609 148.6754 
1 1 1    8   30   12 o  235.849  110.559   0.0197   0.6045  -0.1818   0.7721   0.3386   0.9715  239.784  115.812  280.222  133.912 -40.43773 177.0447 
1 1 1    8   30   13 o  313.375  133.085   0.8871   0.6685   1.4919   0.7922  -0.6087   1.2459  369.194  149.687  248.646  124.782 120.5479 194.8758 
1 1 1    8   32    0 o  251.953  115.412  -0.0980   0.6037   0.3223   0.8948  -0.4494   0.8180  324.309  145.289  260.725  124.118 63.58389 191.0871 
1 1 1    8   32    1 o  356.315  137.209   0.7630   0.6348   1.9621   0.9619  -0.1623   0.8450  505.703  172.432  281.332  131.509 224.3714 216.8580 
1 1 1    8   32    2 o  300.976  130.021   0.3424   0.6586   0.9211   1.0291  -0.0592   0.8572  376.829  162.656  287.946  133.880 88.88367 210.6673 
1 1 1    8   32    3 o  256.220  115.528   0.0369   0.5760   0.4236   0.7688  -0.4580   0.8697  316.093  138.452  262.565  125.803 53.52832 187.0709 
1 1 1    8   32    4 o  231.330  107.422  -0.1609   0.5491  -0.0871   0.7082  -0.2721   0.8696  262.352  121.883  270.313  128.477 -7.961121 177.0931 
1 1 1    8   32    5 o  254.677  114.793   0.0818   0.5682  -0.5966   0.7469   1.0135   0.8753  232.610  112.722  368.835  154.196 -136.2245 191.0044 
1 1 1    8   32    6 o  278.499  121.615   0.3180   0.5892   0.0934   0.7908   0.5981   0.8833  277.218  128.791  322.138  144.332 -44.91934 193.4398 
1 1 1    8   32    7 o  234.861  111.867  -0.2449   0.6664   0.2521   0.8022  -1.3520   1.1973  283.812  131.100  247.716  124.029 36.09648 180.4733 
1 1 1    8   32    8 o  331.946  139.698   0.8872   0.7259  -0.4024   0.8633   4.0005   1.3413  243.801  118.832  554.025  202.250 -310.2233 234.5762 
1 1 1    8   32    9 o  441.933  142.989   1.6489   0.6634   2.3619   0.9330   0.9200   0.9434  466.188  168.906  316.593  144.743 149.5950 222.4400 
1 1 1    8   32   10 o  310.225  137.494   0.9072   0.7794   0.6230   1.2408   1.0923   1.0016  288.216  140.909  314.509  145.707 -26.29303 202.6966 
1 1 1    8   34    0 o  350.803  137.546   0.9104   0.6469   0.5718   0.8272   1.4437   1.0380  311.996  139.740  384.536  164.626 -72.53958 215.9375 
1 1 1    8   34    1 o  357.567  135.838   0.9580   0.6169   0.0823   0.8058   2.1977   0.9588  271.324  127.336  476.302  171.416 -204.9779 213.5369 
1 1 1    8   34    2 o  156.837   80.164  -2.3844   0.6958  -2.0545   1.1717  -2.5641   0.8647  225.134  113.963  178.445   91.056 46.68842 145.8726 
1 1 1    8   34    3 o  362.776  142.119   1.1100   0.6902   1.4746   0.9183   0.6369   1.0463  380.364  158.386  309.176  145.100 71.18835 214.8023 
1 1 1    8   34    4 o  261.301  122.398   0.1646   0.7385   0.9359   0.9031  -1.3925   1.2831  323.614  145.400  242.878  122.501 80.73549 190.1249 
1 1 1    8   34    5 o  215.615  105.697  -0.5084   0.7122  -0.1814   0.8630  -1.2068   1.2612  246.447  119.827  241.424  121.728 5.022461 170.8104 
1 1 1    8   34    6 o  349.530  145.516   1.2770   0.7749   0.7544   0.9514   2.3066   1.3355  295.085  138.448  363.115  168.233 -68.03061 217.8764 
1 1 1    8   34    7 o  402.697  173.393   2.6965   1.1636   1.3122   1.5836   4.3207   1.7154  299.691  148.860  396.417  185.962 -96.72610 238.2042 
1 1 1    8   34    8 o  298.320  147.396   1.4935   1.4780   1.4935   1.4780   0.0000   0.0000  298.320  147.396  ?   ?  0.000000 147.3960 
1 1 1    8   36    0 o  327.631  140.793   1.1446   0.7643   1.3863   0.8911   0.4718   1.4866  336.765  148.244  278.431  139.229 58.33438 203.3745 
1 1 1    8   36    1 o  221.624  108.769  -0.3212   0.7612  -0.3839   0.8871  -0.1460   1.4823  229.247  113.437  261.427  131.832 -32.17975 173.9181 
1 1 1    8   36    2 o  254.715  125.173   0.1507   1.0186   0.3239   1.4611  -0.0130   1.4207  268.640  134.860  260.164  130.923 8.476563 187.9575 
1 1 1    8   36    3 o  280.997  141.048   1.0208   1.5961   0.0000   0.0000   1.0208   1.5961  ?   ?   280.997  141.048 0.000000 141.0475 
1 1 1    9    1    0 o   96.859   46.151  -0.1496   0.1136  -0.1036   0.1381  -0.2462   0.2001  119.472   54.897  130.455   61.895 -10.98249 82.73256 
1 1 1    9    1    1 o  957.906   29.607   4.2277   0.2610   4.0212   0.3623   4.4502   0.3762  933.537   42.181  982.113   41.624 -48.57684 59.26057 
1 1 1    9    1    2 o  554.692   33.268   1.4233   0.1690   1.2332   0.2343   1.6297   0.2441  514.225   50.149  592.448   45.113 -78.22253 67.45431 
1 1 1    9    1    3 o  1009.42   29.163   4.6944   0.2709   4.5744   0.3838   4.8135   0.3823  995.695   41.892  1021.48   40.677 -25.78125 58.39129 
1 1 1    9    1    4 o  2918.05   28.404   39.223   0.7627   38.954   1.0680   39.503   1.0894  2906.33   39.937  2926.64   40.454 -20.30811 56.84636 
1 1 1    9    1    5 o  1158.15   31.234   6.1791   0.3329   6.1924   0.4714   6.1660   0.4701  1158.64   44.214  1156.17   44.186 2.470581 62.50809 
1 1 1    9    1    6 o  1524.91   31.983   10.713   0.4488   10.644   0.6322   10.784   0.6371  1518.94   45.233  1528.89   45.290 -9.947144 64.00925 
1 1 1    9    1    7 o  1181.41   34.496   6.4334   0.3750   6.8802   0.5405   6.0188   0.5207  1220.67   48.125  1141.58   49.566 79.08765 69.08544 
1 1 1    9    1    8 o  1202.14   41.884   6.6757   0.4633   6.8193   0.8081   6.6053   0.5655  1207.94   73.051  1194.57   51.442 13.36670 89.34617 
1 1 1    9    1    9 o  1137.36   44.939   5.9949   0.4703   6.1676   0.5906   5.6957   0.7775  1151.38   55.747  1098.26   77.433 53.11694 95.41299 
1 1 1    9    1   10 o  345.551   69.317   0.5820   0.2127   0.8508   0.2965   0.2969   0.3054  416.597   80.254  267.295   96.671 149.3018 125.6422 
1 1 1    9    1   11 o  592.761   65.587   1.6834   0.3517   2.0904   0.4477   1.0273   0.5685  657.356   75.384  440.711  130.757 216.6456 150.9310 
1 1 1    9    1   12 f  892.486   42.056   3.7225   0.3454   3.7183   0.4630   3.7278   0.5186  884.499   57.190  881.902   64.354 2.597778 86.09376 
1 1 1    9    1   13 o  360.450   73.978   0.6522   0.2371   0.3834   0.3194   0.9825   0.3541  283.341   99.228  436.708   91.060 -153.3667 134.6777 
1 1 1    9    1   14 o  1287.02   40.066   7.7616   0.4745   7.9237   0.6760   7.6043   0.6662  1288.46   57.019  1261.94   57.369 26.51819 80.88434 
1 1 1    9    1   15 o  1211.06   41.556   6.8834   0.4631   6.6221   0.6534   7.1471   0.6565  1173.46   60.718  1222.39   58.361 -48.93591 84.21826 
1 1 1    9    1   16 o  175.996   78.454  -0.0664   0.2574  -0.4679   0.3511   0.4005   0.3786  163.412   78.716  292.543  107.356 -129.1309 133.1221 
1 1 1    9    1   17 o  569.517   64.296   1.5756   0.3310   1.4798   0.4750   1.6661   0.4616  532.427  100.638  571.724   90.784 -39.29749 135.5352 
1 1 1    9    1   18 o  1055.20   46.742   5.2303   0.4539   5.0638   0.6611   5.3786   0.6241  1022.77   70.684  1058.64   64.378 -35.86938 95.60700 
1 1 1    9    1   19 f  235.608   93.516   0.1781   0.3024   0.5155   0.4527  -0.0940   0.4065  327.274  117.783  220.066   98.306 107.2080 153.4171 
1 1 1    9    1   20 o  226.659  103.386  -0.1900   0.4778   0.7252   0.8164  -0.6667   0.5892  385.937  153.501  214.878  103.111 171.0593 184.9175 
1 1 1    9    1   21 o  324.652  116.411   0.5411   0.4418   0.6306   0.9551   0.5167   0.4983  374.897  159.136  324.224  122.348 50.67346 200.7318 
1 1 1    9    1   22 o  1183.57   72.875   7.0185   0.7898   6.3100   1.1039   7.7617   1.1305  1060.74  114.934  1196.56  103.705 -135.8203 154.8052 
1 1 1    9    1   23 o  195.789   90.372  -0.1458   0.3801   0.0936   0.5646  -0.3442   0.5141  256.781  115.196  208.553   99.025 48.22821 151.9080 
1 1 1    9    3    0 o  1689.75   32.433   13.159   0.5043   13.169   0.5976   13.133   0.9397  1689.85   38.433  1684.52   60.627 5.327271 71.78249 
1 1 1    9    3    1 o  883.623   29.604   3.5975   0.2407   3.2925   0.3317   3.9366   0.3498  843.592   42.874  923.713   41.156 -80.12091 59.43098 
1 1 1    9    3    2 o  1564.52   30.744   11.279   0.4426   11.134   0.5568   11.529   0.7295  1553.67   38.947  1579.67   50.185 -26.00623 63.52513 
1 1 1    9    3    3 o  547.622   33.499   1.3874   0.1680   1.4455   0.2341   1.3256   0.2412  557.693   46.023  533.439   49.721 24.25397 67.75191 
1 1 1    9    3    4 f  2058.55   28.928   19.520   0.5480   19.659   0.7729   19.379   0.7770  2064.68   40.684  2049.87   41.191 14.81006 57.89544 
1 1 1    9    3    5 o  1749.08   30.262   14.092   0.4870   14.426   0.6923   13.765   0.6854  1768.65   42.537  1727.59   43.113 41.05432 60.56478 
1 1 1    9    3    6 o  756.925   36.050   2.6406   0.2511   2.2390   0.3424   3.1077   0.3693  694.150   54.036  819.066   49.226 -124.9156 73.09653 
1 1 1    9    3    7 o  535.539   47.234   1.3346   0.2304   1.5715   0.3640   1.1763   0.2976  577.983   69.857  499.530   66.380 78.45334 96.36511 
1 1 1    9    3    8 o  579.684   42.706   1.5615   0.2262   1.3754   0.2970   1.8187   0.3491  540.931   60.710  622.758   61.730 -81.82721 86.58137 
1 1 1    9    3    9 o  1387.07   44.154   8.9194   0.5635   8.5888   0.6875   9.5964   0.9838  1358.29   55.008  1426.67   75.207 -68.37915 93.17744 
1 1 1    9    3   10 o  777.831   47.861   2.8292   0.3409   2.6332   0.3898   3.4668   0.7029  747.721   57.086  844.167   91.978 -96.44641 108.2535 
1 1 1    9    3   11 o  384.987   68.426   0.7242   0.2335   0.5600   0.3128   0.9308   0.3509  333.250   96.479  429.619   91.575 -96.36880 133.0195 
1 1 1    9    3   12 o  835.791   50.207   3.2995   0.3843   3.3427   0.5450   3.2568   0.5421  830.048   72.068  818.877   72.700 11.17096 102.3670 
1 1 1    9    3   13 o  648.079   48.297   1.9911   0.2859   1.9268   0.3988   2.0592   0.4103  627.355   70.284  649.011   69.796 -21.65588 99.05209 
1 1 1    9    3   14 o  1642.49   35.596   12.594   0.5380   12.107   0.7914   13.012   0.7335  1595.62   53.901  1659.70   48.032 -64.08899 72.19635 
1 1 1    9    3   15 o  805.248   45.637   3.0647   0.3368   3.5536   0.5222   2.7166   0.4406  854.611   66.939  748.026   64.653 106.5841 93.06410 
1 1 1    9    3   16 o  1048.57   49.918   5.2032   0.4816   3.4176   0.9022   5.9148   0.5696  784.995  129.419  1114.29   55.551 -329.2971 140.8377 
1 1 1    9    3   17 o  235.250   94.893   0.1659   0.3166  -0.4255   0.5730   0.4258   0.3799  228.251  107.203  299.374  107.884 -71.12299 152.0900 
1 1 1    9    3   18 o  1065.60   45.869   5.3294   0.4498   5.7256   0.6959   5.0452   0.5894  1088.52   69.846  1026.34   62.710 62.17651 93.86674 
1 1 1    9    3   19 o  1018.86   57.247   4.9395   0.5345   4.0393   0.8207   5.6028   0.7044  889.675  102.096  1075.47   71.593 -185.7977 124.6963 
1 1 1    9    3   20 o  281.813  105.741   0.3474   0.3711   0.8664   0.5535  -0.0766   0.5002  396.659  130.740  243.939  109.006 152.7201 170.2213 
1 1 1    9    3   21 o  700.486   66.023   2.4023   0.4205   3.0598   0.6454   1.9171   0.5544  769.797   92.998  599.275  104.326 170.5222 139.7587 
1 1 1    9    3   22 o  821.731   67.440   3.3583   0.5054   3.5726   0.6795   3.0928   0.7562  823.138   91.247  739.604  114.845 83.53363 146.6812 
1 1 1    9    3   23 o  418.687  121.086   1.1087   0.4930   1.1980   0.8060   1.0553   0.6231  395.423  153.947  389.723  138.410 5.699768 207.0196 
1 1 1    9    5    0 o  415.210   72.789   0.8230   0.2680   1.0893   0.3813   0.5630   0.3767  475.801   90.387  346.756  107.192 129.0443 140.2140 
1 1 1    9    5    1 f  2286.53   44.871   24.133   0.9441   24.756   1.3481   23.533   1.3226  2312.12   63.364  2254.19   63.761 57.92383 89.89145 
1 1 1    9    5    2 o  641.096   37.452   1.9016   0.2200   1.8514   0.2480   2.0866   0.4762  631.991   42.903  665.584   79.320 -33.59314 90.17937 
1 1 1    9    5    3 o  1014.22   29.734   4.7386   0.2775   4.5410   0.3834   4.9560   0.4022  992.218   41.990  1036.56   42.164 -44.34094 59.50608 
1 1 1    9    5    4 o  654.154   32.516   1.9715   0.1957   2.0001   0.2630   1.9361   0.2930  657.059   43.752  645.757   49.690 11.30133 66.20668 
1 1 1    9    5    5 o  758.365   31.169   2.6494   0.2175   2.9299   0.2902   2.2900   0.3285  797.197   39.567  702.459   51.172 94.73755 64.68430 
1 1 1    9    5    6 o  1456.58   30.083   9.7743   0.4032   10.010   0.6166   9.5980   0.5330  1472.79   45.495  1442.63   40.149 30.16064 60.67798 
1 1 1    9    5    7 o  671.770   39.164   2.0897   0.2410   2.4715   0.3756   1.8224   0.3143  728.432   56.476  625.044   55.215 103.3881 78.98256 
1 1 1    9    5    8 o  284.780   62.677   0.3921   0.1598   0.4078   0.2265   0.3765   0.2255  290.657   81.424  280.515   82.114 10.14236 115.6402 
1 1 1    9    5    9 o  197.127   74.643   0.1344   0.1859  -0.0321   0.2405   0.3815   0.2929  179.333   78.018  287.468   95.133 -108.1350 123.0327 
1 1 1    9    5   10 o  1266.37   47.242   7.4791   0.5505   6.9650   0.6483   8.8083   1.0424  1217.98   57.843  1352.34   84.183 -134.3645 102.1401 
1 1 1    9    5   11 o  674.510   44.271   2.1345   0.2732   2.4661   0.4051   1.8576   0.3701  718.878   61.844  621.751   65.688 97.12744 90.21976 
1 1 1    9    5   12 o  930.881   56.809   4.1263   0.4843   3.9739   0.8402   4.2021   0.5926  878.018  106.155  931.621   69.632 -53.60345 126.9549 
1 1 1    9    5   13 o  364.262   89.444   0.6886   0.2976   0.3777   0.5547   0.8144   0.3527  311.702  125.643  393.048   97.883 -81.34625 159.2711 
1 1 1    9    5   14 f  1063.74   42.661   5.3168   0.4176   5.1073   0.5923   5.5238   0.5888  1028.43   62.893  1071.97   59.930 -43.54565 86.87424 
1 1 1    9    5   15 o  660.702   54.806   2.0917   0.3302   1.8169   0.4533   2.4022   0.4819  599.438   84.537  695.760   76.531 -96.32214 114.0330 
1 1 1    9    5   16 o  737.713   51.549   2.5913   0.3477   2.7678   0.5138   2.4422   0.4723  748.437   75.644  703.674   74.058 44.76306 105.8606 
1 1 1    9    5   17 o  726.114   52.506   2.5080   0.3484   2.5108   0.5095   2.5055   0.4776  712.129   79.088  714.657   73.686 -2.528687 108.0955 
1 1 1    9    5   18 o  268.828   94.886   0.3325   0.2924  -0.2517   0.4083   0.9477   0.4190  202.619   93.573  423.420  107.381 -220.8011 142.4308 
1 1 1    9    5   19 o  942.553   59.255   4.2423   0.5113   4.1660   0.8342   4.2882   0.6471  902.640  102.243  937.023   75.696 -34.38361 127.2144 
1 1 1    9    5   20 o  711.184   62.584   2.4440   0.4054   1.5990   0.5832   3.2343   0.5639  539.859  120.450  809.610   76.608 -269.7508 142.7484 
1 1 1    9    5   21 o  665.268   90.037   2.2868   0.5370   2.0478   0.6739   2.7027   0.8889  598.706  126.294  665.408  148.899 -66.70160 195.2463 
1 1 1    9    5   22 o  793.459   64.775   3.1249   0.4688   3.2419   0.6977   3.0286   0.6330  770.622  100.809  752.819   93.383 17.80304 137.4148 
1 1 1    9    5   23 o  317.611  120.264   0.6133   0.4825   1.0919   0.7840   0.3214   0.6122  378.807  150.501  283.746  123.936 95.06143 194.9627 
1 1 1    9    7    0 o  1352.83   49.113   8.4507   0.6114   8.3098   0.8534   8.5992   0.8763  1337.32   69.590  1360.34   70.248 -23.02051 98.88129 
1 1 1    9    7    1 o  1891.29   25.618   16.473   0.4458   16.578   0.4826   15.856   1.1648  1897.20   27.643  1850.21   68.419 46.99207 73.79267 
1 1 1    9    7    2 o  1169.41   28.054   6.2985   0.3019   6.1089   0.3242   7.5331   0.8274  1151.56   30.599  1273.32   70.900 -121.7560 77.22059 
1 1 1    9    7    3 o  847.489   25.147   3.3072   0.1961   3.4552   0.2717   3.1462   0.2833  865.945   34.096  826.202   37.271 39.74274 50.51348 
1 1 1    9    7    4 o  501.508   31.036   1.1630   0.1425   1.2460   0.2042   1.0843   0.1990  517.981   43.245  482.704   45.326 35.27676 62.64660 
1 1 1    9    7    5 o  2491.25   26.602   28.583   0.6098   28.125   0.9363   28.921   0.8037  2469.43   41.204  2505.00   34.866 -35.56665 53.97596 
1 1 1    9    7    6 o  1287.86   27.452   7.6414   0.3253   7.5957   0.4648   7.6854   0.4555  1283.06   39.366  1290.70   38.353 -7.645508 54.96021 
1 1 1    9    7    7 o  374.267   60.196   0.6666   0.2003   1.1000   0.4359   0.5507   0.2255  473.625  102.964  337.030   74.673 136.5956 127.1918 
1 1 1    9    7    8 f  1104.57   44.576   5.6575   0.4531   5.4744   0.7834   5.7495   0.5554  1074.63   79.795  1111.43   54.303 -36.79578 96.52037 
1 1 1    9    7    9 o  1306.89   35.784   7.9133   0.4303   7.7407   0.5619   8.1580   0.6692  1289.19   47.367  1320.67   55.067 -31.47656 72.63619 
1 1 1    9    7   10 o  336.926   77.658   0.5648   0.2358   0.5551   0.3358   0.5742   0.3313  332.835  100.889  337.681   99.726 -4.846039 141.8583 
1 1 1    9    7   11 o  1209.63   35.966   6.8097   0.4003   6.5770   0.5687   7.0382   0.5636  1181.28   52.322  1223.22   50.071 -41.94299 72.42057 
1 1 1    9    7   12 o  359.014   75.645   0.6491   0.2420   1.2213   0.3586   0.1707   0.3279  492.840   81.957  238.931   96.505 253.9088 126.6108 
1 1 1    9    7   13 o  468.108   62.415   1.0694   0.2621   1.0464   0.3617   1.0948   0.3805  449.679   90.538  458.721   93.322 -9.042206 130.0238 
1 1 1    9    7   14 f  169.692   74.522  -0.0296   0.2240  -0.1984   0.3284   0.1173   0.3064  182.169   84.053  222.347   91.947 -40.17889 124.5761 
1 1 1    9    7   15 o  512.008   65.265   1.2835   0.3005   1.9001   0.4499   0.7868   0.4038  614.986   81.510  381.017  109.407 233.9689 136.4322 
1 1 1    9    7   16 o  1056.32   45.734   5.2552   0.4445   4.8903   0.6137   5.6580   0.6447  1004.04   66.812  1081.65   65.080 -77.61078 93.27007 
1 1 1    9    7   17 f  516.815   69.320   1.3084   0.3213   1.4755   0.4572   1.1452   0.4518  535.352   96.344  464.221  107.830 71.13080 144.6012 
1 1 1    9    7   18 o  589.984   76.715   1.7145   0.4066   1.7817   0.6529   1.6720   0.5197  571.028  127.488  568.130  103.215 2.898254 164.0319 
1 1 1    9    7   19 o  851.163   54.487   3.4463   0.4245   3.4819   0.6226   3.4153   0.5803  838.832   81.701  834.320   76.437 4.511780 111.8826 
1 1 1    9    7   20 o  449.144   91.373   1.0471   0.3648   0.9553   0.5323   1.1283   0.5009  411.528  127.450  450.706  119.023 -39.17810 174.3846 
1 1 1    9    7   21 o  735.898   88.156   2.7996   0.5851   2.8903   0.7482   2.6569   0.9386  719.743  116.994  639.579  159.907 80.16400 198.1356 
1 1 1    9    7   22 o  279.753  108.240   0.3872   0.3965  -0.0540   0.6056   0.7184   0.5246  252.996  115.780  345.289  126.417 -92.29260 171.4246 
1 1 1    9    7   23 o  244.292  107.949   0.1388   0.4769   0.2569   0.8055   0.0751   0.5918  290.145  133.054  253.475  115.403 36.67035 176.1286 
1 1 1    9    9    0 o  1937.86   32.314   17.300   0.5762   17.212   0.6471   17.637   1.2659  1932.58   36.390  1951.82   70.485 -19.23450 79.32494 
1 1 1    9    9    1 o  2468.49   32.224   28.072   0.7319   27.215   0.8089   31.945   1.7194  2430.09   36.174  2626.57   71.143 -196.4775 79.81155 
1 1 1    9    9    2 o  1132.48   37.263   5.9112   0.3883   5.8456   0.4416   6.1350   0.8153  1125.87   42.628  1147.73   77.654 -21.86780 88.58516 
1 1 1    9    9    3 o  567.062   38.891   1.4894   0.2017   0.0000   0.0000   1.4894   0.2017  ?   ?   567.062   38.891 0.000000 38.89126 
1 1 1    9    9    4 o  792.949   38.413   2.8994   0.2803   0.0000   0.0000   2.8994   0.2803  ?   ?   792.949   38.413 0.000000 38.41303 
1 1 1    9    9    5 o  1143.13   27.147   6.0208   0.2855   5.8419   0.4028   6.2015   0.4049  1125.17   38.903  1159.37   37.952 -34.19702 54.34889 
1 1 1    9    9    6 o  785.795   31.438   2.8484   0.2273   2.9005   0.3273   2.7999   0.3159  790.561   45.183  776.806   44.384 13.75507 63.33598 
1 1 1    9    9    7 o  430.393   50.747   0.8722   0.1971   0.9860   0.2615   0.7226   0.2999  455.069   64.237  383.497   86.998 71.57144 108.1433 
1 1 1    9    9    8 o  795.304   38.369   2.9324   0.2808   2.7263   0.3595   3.2549   0.4496  762.850   51.516  831.558   59.149 -68.70758 78.43781 
1 1 1    9    9    9 o  1023.62   34.275   4.8585   0.3228   4.6418   0.4502   5.0880   0.4632  996.459   49.094  1043.54   48.243 -47.07782 68.83083 
1 1 1    9    9   10 o  562.180   55.823   1.5054   0.2850   1.2146   0.3734   1.9110   0.4410  493.134   85.378  624.463   78.475 -131.3293 115.9641 
1 1 1    9    9   11 o  436.584   62.141   0.9268   0.2426   0.9005   0.3438   0.9530   0.3424  418.060   91.876  431.579   89.164 -13.51898 128.0290 
1 1 1    9    9   12 o  703.160   46.741   2.3407   0.3007   2.8642   0.4420   1.8896   0.4103  769.629   62.959  618.612   73.521 151.0175 96.79484 
1 1 1    9    9   13 o  1147.41   49.583   6.2346   0.5235   5.3085   0.7259   7.2380   0.7556  1036.23   76.679  1219.95   67.577 -183.7153 102.2073 
1 1 1    9    9   14 o  183.481   79.503   0.0002   0.2478   0.0130   0.3339  -0.0154   0.3695  212.093   92.101  217.643   95.641 -5.549866 132.7770 
1 1 1    9    9   15 o  654.862   56.802   2.0613   0.3389   2.7007   0.4962   1.5024   0.4639  739.818   73.880  536.329   97.603 203.4888 122.4118 
1 1 1    9    9   16 o  986.477   48.153   4.5913   0.4371   4.2380   0.5960   5.0026   0.6430  932.816   69.940  1014.33   69.308 -81.51166 98.46427 
1 1 1    9    9   17 o  407.530  100.528   0.8700   0.3746   0.3218   0.5657   1.2983   0.5000  308.361  125.932  493.148  112.654 -184.7874 168.9670 
1 1 1    9    9   18 o  643.688   72.270   2.0245   0.4207   2.4679   0.7018   1.7759   0.5255  682.958  115.817  586.712  100.984 96.24554 153.6600 
1 1 1    9    9   19 o  653.369   69.388   2.0852   0.4108   1.9523   0.5621   2.2377   0.6018  611.259  103.635  655.514  103.185 -44.25537 146.2439 
1 1 1    9    9   20 o  634.672   77.474   2.0177   0.4431   2.0624   0.5781   1.9541   0.6898  622.093  104.703  582.283  131.814 39.81024 168.3379 
1 1 1    9    9   21 o  366.217  114.101   0.7708   0.4259   1.1621   0.5939   0.3567   0.6110  432.337  134.748  303.140  127.902 129.1973 185.7847 
1 1 1    9    9   22 o  286.835  108.134   0.4446   0.3890   0.1993   0.5664   0.6636   0.5352  268.665  118.229  330.204  126.271 -61.53824 172.9809 
1 1 1    9    9   23 o  261.177  112.657   0.2827   0.4930  -0.4836   0.7548   0.8526   0.6510  233.235  113.094  341.797  136.700 -108.5625 177.4175 
1 1 1    9   11    0 o  687.781   33.318   2.1797   0.2109   2.0938   0.3060   2.2573   0.2909  671.635   49.873  697.993   45.549 -26.35809 67.54269 
1 1 1    9   11    1 o  1894.56   40.103   16.552   0.6991   16.713   0.8263   16.148   1.3118  1902.89   47.189  1865.62   76.412 37.26990 89.80871 
1 1 1    9   11    2 o  1619.15   32.091   12.081   0.4781   12.146   0.7396   12.035   0.6266  1621.69   49.565  1615.07   42.166 6.615112 65.07426 
1 1 1    9   11    3 o  569.751   40.297   1.5054   0.2099   1.7862   0.2980   1.2288   0.2958  619.271   52.792  510.896   64.338 108.3750 83.22523 
1 1 1    9   11    4 o  586.083   36.449   1.5914   0.1956   1.5747   0.2465   1.6197   0.3213  581.723   46.446  587.820   60.250 -6.096130 76.07417 
1 1 1    9   11    5 o  949.229   32.862   4.1595   0.2870   4.2573   0.3650   4.0009   0.4647  959.388   41.343  926.620   54.744 32.76819 68.60165 
1 1 1    9   11    6 o  966.124   32.724   4.3137   0.2909   4.1927   0.3823   4.4801   0.4485  950.826   43.691  980.464   49.872 -29.63776 66.30295 
1 1 1    9   11    7 o  693.358   36.277   2.2336   0.2306   2.3012   0.3286   2.1679   0.3238  700.439   51.348  679.533   52.178 20.90594 73.20621 
1 1 1    9   11    8 o  322.261   64.045   0.5071   0.1832   0.8583   0.2783   0.2383   0.2434  418.366   75.048  238.962   86.322 179.4039 114.3840 
1 1 1    9   11    9 o  972.214   35.945   4.3955   0.3216   4.7658   0.4604   4.0426   0.4494  1007.49   49.658  925.205   53.003 82.28699 72.63109 
1 1 1    9   11   10 o  515.223   64.243   1.2882   0.2980   1.1433   0.4008   1.4671   0.4455  470.720   95.791  535.901   93.754 -65.18042 134.0358 
1 1 1    9   11   11 o  204.211   79.141   0.1468   0.2123   0.2538   0.3175   0.0603   0.2854  252.671   97.106  206.655   87.312 46.01674 130.5869 
1 1 1    9   11   12 o  855.170   43.972   3.4512   0.3448   3.6055   0.5018   3.3131   0.4747  862.482   63.682  827.164   62.833 35.31854 89.46173 
1 1 1    9   11   13 o  1029.26   52.196   5.0469   0.4927   4.1824   0.6987   5.9021   0.6949  912.076   84.203  1099.43   69.044 -187.3496 108.8911 
1 1 1    9   11   14 o  380.663   79.728   0.7396   0.2703   0.9585   0.3917   0.5406   0.3735  423.436  101.783  322.276  107.465 101.1595 148.0149 
1 1 1    9   11   15 o  257.034   92.072   0.3035   0.2763   0.3641   0.3765   0.2329   0.4067  284.620  106.563  265.001  107.320 19.61838 151.2392 
1 1 1    9   11   16 f  864.046   50.744   3.5393   0.4017   3.7817   0.5793   3.3149   0.5574  880.292   72.157  822.321   74.473 57.97070 103.6963 
1 1 1    9   11   17 o  265.319  100.674   0.2872   0.3386   0.5083   0.5974   0.1826   0.4110  339.810  132.472  260.062  106.901 79.74741 170.2253 
1 1 1    9   11   18 o  194.343   86.233  -0.0617   0.3074  -0.1853   0.4164   0.0865   0.4558  211.204   96.405  254.614  109.053 -43.40990 145.5558 
1 1 1    9   11   19 o  374.566  110.169   0.7605   0.4050   0.8229   0.5139   0.6582   0.6580  385.076  125.938  361.152  139.518 23.92389 187.9507 
1 1 1    9   11   20 o  543.536   85.648   1.5273   0.4142   1.1928   0.5709   1.8989   0.6018  447.341  130.578  582.018  116.434 -134.6776 174.9498 
1 1 1    9   11   21 o  309.341  118.864   0.5147   0.4757   1.3017   0.6367  -0.4802   0.7158  444.441  139.680  240.337  114.878 204.1037 180.8519 
1 1 1    9   11   22 o  209.968   95.161  -0.0342   0.3967  -0.3190   0.5729   0.2281   0.5498  218.888  104.109  264.970  116.546 -46.08221 156.2740 
1 1 1    9   13    0 o  1199.75   31.713   6.6367   0.3501   6.1602   0.4765   7.1959   0.5161  1154.63   44.846  1247.92   44.948 -93.28381 63.49392 
1 1 1    9   13    1 o  1108.06   32.623   5.6632   0.3326   5.7831   0.4753   5.5481   0.4657  1118.31   46.189  1095.35   46.200 22.96143 65.32897 
1 1 1    9   13    2 o  670.339   38.887   2.0828   0.2388   2.2513   0.3465   1.9303   0.3297  694.597   54.648  642.552   56.329 52.04565 78.48191 
1 1 1    9   13    3 o  1453.72   33.359   9.7584   0.4462   9.3924   0.6120   10.174   0.6521  1423.70   46.714  1481.50   47.833 -57.79431 66.85941 
1 1 1    9   13    4 o  1118.61   39.676   5.7937   0.4084   6.0013   0.5228   5.4689   0.6540  1136.35   50.001  1078.79   66.208 57.56689 82.96755 
1 1 1    9   13    5 o  622.260   43.453   1.8069   0.2472   2.1895   0.2943   0.8896   0.4557  684.486   47.014  418.941  114.811 265.5444 124.0637 
1 1 1    9   13    6 o  974.608   35.327   4.4032   0.3168   4.4269   0.4010   4.3638   0.5169  975.031   44.692  962.253   58.655 12.77753 73.74120 
1 1 1    9   13    7 o  268.950   77.470   0.3560   0.2022   0.3399   0.2636   0.3790   0.3150  269.429   90.273  286.127   98.646 -16.69797 133.7169 
1 1 1    9   13    8 o  449.184   57.782   0.9695   0.2333   0.5981   0.2866   1.6992   0.4017  342.407   89.835  588.980   75.878 -246.5726 117.5922 
1 1 1    9   13    9 o  694.515   42.307   2.2676   0.2691   3.2014   0.4124   1.5755   0.3551  819.959   54.981  567.834   69.397 252.1251 88.53729 
1 1 1    9   13   10 o  369.424   82.891   0.6999   0.2748   0.6411   0.3548   0.7880   0.4346  347.771  103.328  380.580  114.649 -32.80878 154.3407 
1 1 1    9   13   11 o  284.501   82.539   0.4141   0.2287   0.4486   0.3178   0.3770   0.3295  297.153   99.129  280.805  100.544 16.34821 141.1932 
1 1 1    9   13   12 o  762.861   48.069   2.7638   0.3357   2.3243   0.4619   3.2559   0.4888  684.466   74.541  817.630   65.515 -133.1639 99.23977 
1 1 1    9   13   13 o  255.029   98.259   0.2637   0.3257  -0.3158   0.4594   0.8492   0.4618  207.688   97.046  390.991  118.270 -183.3038 152.9892 
1 1 1    9   13   14 o  701.601   53.117   2.3530   0.3404   2.1313   0.4638   2.6117   0.5011  653.192   78.758  725.536   76.190 -72.34375 109.5798 
1 1 1    9   13   15 o  414.825   82.096   0.8748   0.3023   0.2681   0.3980   1.7012   0.4646  270.318  107.285  577.437   90.405 -307.1191 140.2970 
1 1 1    9   13   16 o  1007.06   55.285   4.8233   0.5103   5.6104   0.8487   4.3775   0.6387  1060.96   87.724  947.238   73.863 113.7227 114.6789 
1 1 1    9   13   17 o  602.292   68.657   1.7683   0.3737   1.2532   0.5069   2.3815   0.5531  481.624  115.811  687.508   89.550 -205.8843 146.3945 
1 1 1    9   13   18 o  302.775  102.803   0.4603   0.3419   0.3667   0.4756   0.5603   0.4918  298.967  117.712  334.764  122.421 -35.79727 169.8323 
1 1 1    9   13   19 o  311.068  112.439   0.4910   0.4131   0.7557   0.5360   0.1037   0.6483  367.265  128.555  286.198  126.192 81.06607 180.1416 
1 1 1    9   13   20 o  391.822  107.549   0.8738   0.3995   0.8915   0.5482   0.8538   0.5835  382.400  130.178  374.145  133.823 8.254852 186.6947 
1 1 1    9   13   21 o  172.773   84.511  -0.6352   0.4480  -0.5311   0.5971  -0.7692   0.6775  211.709  102.152  212.946  104.113 -1.236694 145.8581 
1 1 1    9   13   22 o  190.048   89.722  -0.2325   0.4107  -1.1247   0.5760   0.6901   0.5857  173.041   86.550  319.183  128.956 -146.1421 155.3079 
1 1 1    9   15    0 o  1650.56   36.564   12.602   0.5553   12.412   0.7040   12.915   0.9034  1635.26   46.789  1663.78   59.010 -28.51868 75.30871 
1 1 1    9   15    1 o  1399.17   37.421   9.0623   0.4818   9.2275   0.6275   8.8251   0.7519  1408.96   48.401  1374.34   59.460 34.62158 76.66890 
1 1 1    9   15    2 o  707.729   45.724   2.3375   0.2962   2.8188   0.4001   1.7539   0.4406  774.716   56.513  602.765   81.521 171.9514 99.19407 
1 1 1    9   15    3 o  791.043   42.135   2.9149   0.3056   3.3486   0.4350   2.4924   0.4294  844.041   56.332  724.954   65.063 119.0866 86.06097 
1 1 1    9   15    4 o  293.693   79.638   0.4263   0.2206   0.4161   0.3092   0.4369   0.3150  296.268   97.716  302.194   98.583 -5.926849 138.8057 
1 1 1    9   15    5 o  462.301   61.195   1.0258   0.2539   0.6508   0.3458   1.4644   0.3740  357.661  100.770  548.250   76.199 -190.5894 126.3365 
1 1 1    9   15    6 o  942.850   43.945   4.1557   0.3813   3.9833   0.5315   4.3385   0.5472  913.215   63.644  953.731   62.707 -40.51587 89.34618 
1 1 1    9   15    7 o  785.670   42.554   2.8974   0.3065   3.2447   0.3933   2.3602   0.4891  827.640   51.905  692.617   78.109 135.0232 93.78233 
1 1 1    9   15    8 o  263.593   83.142   0.3444   0.2254   0.3940   0.2867   0.2642   0.3646  282.537   94.148  263.982  103.323 18.55487 139.7840 
1 1 1    9   15    9 o  515.861   58.843   1.2887   0.2743   1.3998   0.3486   1.1081   0.4445  530.941   73.310  452.672  108.193 78.26895 130.6911 
1 1 1    9   15   10 o  1306.67   45.284   8.0551   0.5445   7.4963   0.7354   8.7330   0.8100  1243.39   64.497  1342.42   65.574 -99.03015 91.97726 
1 1 1    9   15   11 o  803.530   51.554   3.0810   0.3792   3.0685   0.4816   3.1016   0.6149  792.484   66.668  781.280   87.010 11.20386 109.6145 
1 1 1    9   15   12 o  240.900   94.592   0.2150   0.3064   0.1778   0.3940   0.2718   0.4872  251.975  104.235  283.323  116.423 -31.34808 156.2667 
1 1 1    9   15   13 o  717.369   63.312   2.5000   0.4136   2.2191   0.5951   2.7625   0.5754  648.587  103.164  738.324   86.319 -89.73688 134.5133 
1 1 1    9   15   14 o  560.541   64.067   1.5299   0.3245   1.5748   0.4612   1.4858   0.4567  552.290   94.127  534.772   96.355 17.51782 134.7007 
1 1 1    9   15   15 o  289.086  101.262   0.4006   0.3326   0.2077   0.5537   0.5095   0.4160  289.673  121.963  320.939  113.185 -31.26639 166.3904 
1 1 1    9   15   16 o  221.681   91.137   0.1168   0.2987  -0.0528   0.4187   0.2927   0.4264  227.438  100.791  280.754  111.160 -53.31619 150.0517 
1 1 1    9   15   17 o  455.407   89.509   1.0674   0.3617   1.6015   0.5412   0.6361   0.4863  546.203  111.453  349.125  122.434 197.0781 165.5656 
1 1 1    9   15   18 o  319.882  110.467   0.5333   0.3951   0.0096   0.4802   1.6308   0.6952  246.038  108.542  521.188  141.381 -275.1494 178.2411 
1 1 1    9   15   19 o  601.971   83.901   1.8762   0.4521   2.6429   0.6499   1.1571   0.6294  695.867  104.739  428.756  139.324 267.1106 174.3029 
1 1 1    9   15   20 f  454.922  105.418   1.1948   0.4326   1.5051   0.6315   0.9203   0.5939  476.992  136.785  374.445  134.901 102.5469 192.1159 
1 1 1    9   15   21 f  262.792  116.452   0.2287   0.5588   1.3696   0.7895  -0.9172   0.7912  402.975  153.531  218.868  108.084 184.1075 187.7601 
1 1 1    9   17    0 o  436.520   59.165   0.9115   0.2315   0.8886   0.3137   0.9390   0.3431  423.496   83.475  433.819   88.936 -10.32388 121.9740 
1 1 1    9   17    1 o  598.999   49.881   1.6897   0.2724   1.6460   0.3817   1.7351   0.3890  583.746   72.628  599.819   71.910 -16.07312 102.2055 
1 1 1    9   17    2 o  880.935   41.890   3.6163   0.3396   4.1711   0.4828   3.0734   0.4776  939.836   56.086  802.500   65.249 137.3352 86.04086 
1 1 1    9   17    3 o  919.282   42.908   3.9455   0.3630   4.3074   0.5082   3.5687   0.5186  953.061   58.224  863.617   65.751 89.44403 87.82539 
1 1 1    9   17    4 o  548.252   56.310   1.4354   0.2800   1.3746   0.3891   1.5006   0.4034  525.430   83.252  549.912   82.240 -24.48206 117.0227 
1 1 1    9   17    5 o  382.462   77.380   0.7345   0.2630   0.4740   0.3506   1.0697   0.3977  308.991  104.105  453.965   98.064 -144.9737 143.0190 
1 1 1    9   17    6 o  1516.54   40.858   10.773   0.5702   10.137   0.7716   11.537   0.8462  1458.47   57.496  1554.41   59.160 -95.93726 82.49680 
1 1 1    9   17    7 o  173.433   77.648  -0.0767   0.2551   0.1039   0.3745  -0.2332   0.3485  236.874  100.048  184.741   85.715 52.13254 131.7449 
1 1 1    9   17    8 o  471.667   79.067   1.1254   0.3310   0.9982   0.4573   1.2654   0.4798  424.596  114.444  481.609  110.599 -57.01218 159.1526 
1 1 1    9   17    9 o  147.100   69.510  -0.2487   0.2475  -0.3625   0.3061  -0.0334   0.4209  156.910   75.034  227.575  100.943 -70.66449 125.7757 
1 1 1    9   17   10 o  430.140   86.109   0.9569   0.3289   1.2949   0.4630   0.6125   0.4674  489.656  105.843  339.880  119.962 149.7764 159.9800 
1 1 1    9   17   11 o  1100.28   46.907   5.7257   0.4749   6.1875   0.6063   4.9926   0.7639  1134.13   58.295  995.195   84.211 138.9359 102.4201 
1 1 1    9   17   12 o  770.356   72.896   2.9309   0.5106   2.8632   0.6232   3.0689   0.8904  746.125   92.782  730.115  137.574 16.00995 165.9371 
1 1 1    9   17   13 o  247.928   95.918   0.2390   0.3114  -0.0165   0.3969   0.6481   0.5022  224.977   98.985  351.049  124.299 -126.0723 158.8973 
1 1 1    9   17   14 o  130.779   65.488  -0.8864   0.3343  -0.7872   0.5046  -0.9639   0.4462  186.089   90.736  160.295   79.518 25.79358 120.6486 
1 1 1    9   17   15 f  213.113   92.392   0.0094   0.3350  -0.0551   0.4312   0.1074   0.5318  230.048  102.101  272.497  117.277 -42.44920 155.4946 
1 1 1    9   17   16 o  577.835   72.792   1.6490   0.3785   1.4173   0.5410   1.8711   0.5296  508.275  117.947  599.506   99.495 -91.23099 154.3073 
1 1 1    9   17   17 o  1356.00   83.302   9.2446   1.0344   9.2446   1.0344   0.0000   0.0000  1356.00   83.302  ?   ?  0.000000 83.30178 
1 1 1    9   17   18 o  386.773  119.144   0.8704   0.4658   0.2849   0.5307   2.8349   0.9722  285.306  119.726  651.727  162.636 -366.4208 201.9522 
1 1 1    9   17   19 o  520.808   95.559   1.4939   0.4411   1.9548   0.6329   1.0588   0.6150  565.565  124.953  398.820  137.808 166.7449 186.0228 
1 1 1    9   17   20 o  181.898   86.299  -0.2824   0.3889  -0.5700   0.5133   0.1054   0.5960  189.392   92.162  255.904  116.237 -66.51227 148.3407 
1 1 1    9   19    0 o  839.083   46.950   3.3155   0.3610   4.4019   0.5389   2.4310   0.4863  959.672   61.352  704.624   76.218 255.0477 97.84252 
1 1 1    9   19    1 o  407.593   73.775   0.8256   0.2665   0.8699   0.3745   0.7801   0.3793  407.862  100.450  384.965  104.437 22.89706 144.9043 
1 1 1    9   19    2 o  705.139   51.511   2.3610   0.3319   2.2139   0.4635   2.5158   0.4755  670.390   76.509  717.080   73.087 -46.68982 105.8084 
1 1 1    9   19    3 o  311.028   89.571   0.4974   0.2703   0.7520   0.3974   0.2783   0.3687  374.952  108.797  267.484  104.122 107.4686 150.5930 
1 1 1    9   19    4 o  735.137   52.974   2.5783   0.3559   2.5222   0.4767   2.6490   0.5352  715.571   73.432  728.257   81.247 -12.68610 109.5138 
1 1 1    9   19    5 o  304.888   95.619   0.4808   0.2985   1.1405   0.4261  -0.1552   0.4184  462.038  102.871  213.245   97.064 248.7921 141.4351 
1 1 1    9   19    6 o  1084.98   47.206   5.5680   0.4713   6.1095   0.6684   5.0325   0.6647  1121.27   65.058  1011.41   71.886 109.8594 96.95399 
1 1 1    9   19    7 o  613.310   66.826   1.8473   0.3710   1.5817   0.5244   2.1135   0.5250  539.854  109.318  639.643   91.833 -99.78931 142.7715 
1 1 1    9   19    8 o  651.050   61.847   2.0624   0.3661   2.3866   0.5340   1.7750   0.5028  683.688   86.844  581.179   97.465 102.5091 130.5426 
1 1 1    9   19    9 o  358.508  107.599   0.7000   0.3833   1.9364   0.7004   0.1713   0.4580  576.182  134.540  262.678  110.776 313.5036 174.2767 
1 1 1    9   19   10 o  333.807   94.982   0.5905   0.3057   0.5929   0.3771   0.5858   0.5221  333.102  107.806  337.510  125.659 -4.407928 165.5667 
1 1 1    9   19   11 o  310.386   96.095   0.5025   0.3026   0.1948   0.3811   1.0278   0.4979  252.335  103.242  427.113  121.107 -174.7779 159.1406 
1 1 1    9   19   12 o  711.864   79.183   2.5249   0.5099   2.4862   0.6189   2.6068   0.8997  691.159  100.233  661.540  151.112 29.61938 181.3328 
1 1 1    9   19   13 o  781.490   77.282   3.0148   0.5485   3.1736   0.6728   2.7003   0.9469  789.179   94.531  673.532  155.875 115.6470 182.2995 
1 1 1    9   19   14 o  352.564  102.150   0.6559   0.3506   0.3657   0.4185   1.3381   0.6417  291.735  111.634  482.095  137.778 -190.3599 177.3269 
1 1 1    9   19   15 o  880.573   60.960   3.7384   0.4909   3.7934   0.6245   3.6494   0.7942  874.211   78.464  833.368  105.971 40.84302 131.8576 
1 1 1    9   19   16 o  328.132  115.179   0.5679   0.4304   0.4554   0.4680   1.1856   1.0965  309.224  118.112  431.845  175.726 -122.6204 211.7312 
1 1 1    9   19   17 o  645.498   82.989   2.1492   0.4815   2.2474   0.6190   1.9987   0.7662  636.307  109.682  559.244  146.972 77.06250 183.3873 
1 1 1    9   19   18 o  287.909  112.066   0.4247   0.4270   0.1141   0.5288   1.0072   0.7241  256.355  113.452  382.945  146.768 -126.5903 185.5058 
1 1 1    9   19   19 o  272.871  113.629   0.3646   0.4727   1.2393   0.6368  -0.7084   0.7053  408.475  140.286  216.568  105.956 191.9064 175.8033 
1 1 1    9   19   20 o  739.100   85.823   3.0733   0.5728   3.8571   0.7700   2.1019   0.8572  787.311  109.225  471.949  162.719 315.3622 195.9783 
1 1 1    9   21    0 o  355.012   90.798   0.6588   0.2978   0.5406   0.3989   0.8074   0.4475  323.904  111.046  383.662  116.512 -59.75763 160.9543 
1 1 1    9   21    1 o  402.296   87.398   0.8384   0.3143   0.9433   0.4282   0.7158   0.4628  415.704  110.163  362.702  119.546 53.00125 162.5645 
1 1 1    9   21    2 o  200.380   86.556   0.0180   0.2918   0.2880   0.4100  -0.2594   0.4155  273.887  108.829  201.208   93.436 72.67935 143.4367 
1 1 1    9   21    3 o  530.575   74.779   1.4074   0.3550   1.1118   0.4758   1.7784   0.5331  447.485  114.939  577.761  104.100 -130.2764 155.0733 
1 1 1    9   21    4 o  360.476   97.526   0.6943   0.3313   0.6391   0.4702   0.7488   0.4670  345.087  120.426  367.625  120.040 -22.53815 170.0353 
1 1 1    9   21    5 o  228.704   93.282   0.1528   0.3099   0.0737   0.4249   0.2427   0.4530  242.138  104.515  272.342  112.125 -30.20399 153.2821 
1 1 1    9   21    6 o  536.316   76.083   1.4451   0.3649   1.8380   0.5416   1.1182   0.4939  586.146  104.230  445.187  118.486 140.9592 157.8065 
1 1 1    9   21    7 o  525.874   83.879   1.4148   0.3922   1.7756   0.5344   0.9936   0.5775  575.219  104.835  411.886  133.430 163.3330 169.6875 
1 1 1    9   21    8 o  252.027  110.734   0.0364   0.4952   0.3353   0.6464  -0.3881   0.7702  312.580  131.702  265.703  124.633 46.87741 181.3251 
1 1 1    9   21    9 o  331.257  121.372   0.5644   0.4837   0.8122   0.6022   0.1137   0.8121  379.685  135.933  311.869  139.156 67.81644 194.5304 
1 1 1    9   21   10 o  1070.98   57.644   5.5055   0.5660   5.2673   0.7690   5.7871   0.8360  1025.96   82.150  1072.15   85.446 -46.18335 118.5313 
1 1 1    9   21   11 o  316.052  111.372   0.5006   0.4027   1.3502   0.5693  -0.3500   0.5697  490.369  125.618  232.482  108.440 257.8869 165.9491 
1 1 1    9   21   12 o  500.412  132.412   1.4242   0.6192   2.3195   0.9662   0.8004   0.8065  608.659  167.328  392.237  153.640 216.4216 227.1656 
1 1 1    9   21   13 o  747.061   64.895   2.7080   0.4417   2.4368   0.5546   3.1783   0.7303  693.041   89.021  779.825  104.397 -86.78473 137.1983 
1 1 1    9   21   14 o  203.631   90.368  -0.0497   0.3377  -0.4799   0.4178   0.7616   0.5738  182.187   87.265  372.003  132.741 -189.8160 158.8568 
1 1 1    9   21   15 o  197.883   91.826  -0.2350   0.4002  -0.2776   0.4311   0.0309   1.0776  202.032   94.268  331.395  152.679 -129.3637 179.4359 
1 1 1    9   21   16 o  373.148  115.265   0.8104   0.4357   1.0670   0.5524   0.3885   0.7085  416.293  129.998  315.031  135.471 101.2620 187.7547 
1 1 1    9   21   17 o  259.895  106.825   0.2796   0.4103   0.5633   0.5304  -0.1435   0.6476  315.188  124.239  249.210  116.035 65.97852 169.9980 
1 1 1    9   21   18 o  254.228  109.197   0.2513   0.4594   0.4388   0.5874  -0.0438   0.7370  289.117  123.813  258.675  121.521 30.44168 173.4849 
1 1 1    9   21   19 o  219.215  100.462   0.0118   0.4582  -0.3344   0.5706   0.6403   0.7687  209.296  100.700  303.174  135.325 -93.87764 168.6812 
1 1 1    9   23    0 o  826.592   57.888   3.2910   0.4375   3.0033   0.5901   3.6422   0.6520  770.315   84.653  848.963   84.584 -78.64722 119.6682 
1 1 1    9   23    1 o  417.820   92.459   0.9186   0.3461   1.1378   0.4824   0.6861   0.4967  451.848  115.562  355.052  123.788 96.79526 169.3459 
1 1 1    9   23    2 o  558.452   75.014   1.5605   0.3757   1.9994   0.5291   1.1140   0.5337  618.435   96.092  440.233  125.583 178.2018 158.1289 
1 1 1    9   23    3 o  511.746  103.752   1.4082   0.4718   1.1946   0.5351   2.1548   1.0004  456.445  124.126  561.596  174.859 -105.1505 214.4359 
1 1 1    9   23    4 o  228.409  100.358   0.0050   0.4067  -0.0118   0.4652   0.0596   0.8378  239.774  106.250  309.387  139.431 -69.61211 175.2999 
1 1 1    9   23    5 o  334.350  106.106   0.6012   0.3666   1.4455   0.5359  -0.1416   0.5027  508.525  116.962  233.778  106.404 274.7476 158.1203 
1 1 1    9   23    6 o  953.831   56.490   4.3754   0.4936   4.4765   0.6722   4.2571   0.7271  946.783   77.852  913.854   87.536 32.92938 117.1474 
1 1 1    9   23    7 o  739.031   80.639   2.7473   0.5395   3.2386   0.9281   2.4965   0.6630  744.315  140.658  680.988  109.515 63.32660 178.2640 
1 1 1    9   23    8 o  372.332  115.796   0.7629   0.4388   0.7254   0.7130   0.7857   0.5568  371.621  144.764  375.890  131.056 -4.268799 195.2753 
1 1 1    9   23    9 o  1253.52   53.847   7.4767   0.6211   7.9312   0.8962   7.0566   0.8615  1267.26   77.227  1193.35   78.901 73.90747 110.4057 
1 1 1    9   23   10 o  621.285   99.561   2.0078   0.5500   1.7205   0.9467   2.1542   0.6757  517.045  171.013  627.126  121.474 -110.0810 209.7653 
1 1 1    9   23   11 o  423.393  140.771   1.0353   0.6412   0.9710   0.9667   1.0858   0.8567  417.391  166.705  429.375  160.745 -11.98416 231.5806 
1 1 1    9   23   12 o  1006.54   65.034   4.9190   0.5991   4.1921   0.7909   5.8980   0.9178  900.816   96.936  1073.10   93.893 -172.2822 134.9537 
1 1 1    9   23   13 o  825.872   66.827   3.3440   0.5035   3.5363   0.6421   3.0372   0.8112  834.186   84.838  735.226  124.341 98.96039 150.5266 
1 1 1    9   23   14 o  375.191  112.391   0.7999   0.4185   0.7580   0.4675   0.9690   0.9388  363.181  120.185  395.315  161.926 -32.13339 201.6547 
1 1 1    9   23   15 o  628.058   85.764   2.0800   0.4827   2.5037   0.6287   1.4716   0.7534  669.246  105.590  457.953  152.609 211.2929 185.5768 
1 1 1    9   23   16 o  456.160  116.526   1.2842   0.4909   0.5769   0.6037   2.6647   0.8433  315.579  129.626  614.734  150.339 -299.1541 198.5060 
1 1 1    9   23   17 o  205.304   94.436  -0.0701   0.4100  -0.5039   0.4979   0.8432   0.7225  188.177   91.386  334.253  139.949 -146.0756 167.1438 
1 1 1    9   23   18 o  186.131   91.098  -0.5519   0.5228  -0.9979   0.6773   0.1055   0.8223  191.281   95.390  262.117  124.686 -70.83611 156.9897 
1 1 1    9   25    0 o  236.204  103.924   0.0055   0.4374   0.2899   0.5171  -0.7098   0.8202  289.862  119.623  254.908  122.144 34.95404 170.9643 
1 1 1    9   25    1 f  670.847   75.496   2.2444   0.4579   2.4575   0.6572   2.0433   0.6384  675.515  109.481  607.425  118.474 68.08929 161.3140 
1 1 1    9   25    2 o  446.780  103.745   1.0793   0.4183   1.0073   0.5759   1.1596   0.6087  415.402  133.102  442.371  136.183 -26.96924 190.4258 
1 1 1    9   25    3 o  773.828   69.337   2.9454   0.4885   3.0848   0.6812   2.7977   0.7008  767.889   98.693  721.886  108.893 46.00244 146.9626 
1 1 1    9   25    4 o  428.522  110.535   1.0110   0.4387   1.6186   0.6188   0.3967   0.6221  531.399  128.052  318.297  131.265 213.1024 183.3787 
1 1 1    9   25    5 o  468.281  120.965   1.2351   0.5249   0.9657   0.8604   1.3948   0.6625  408.220  159.025  483.401  140.531 -75.18100 212.2216 
1 1 1    9   25    6 o  217.616   99.407  -0.1754   0.4438  -0.2773   0.6264  -0.0726   0.6288  249.505  115.462  268.190  120.835 -18.68535 167.1303 
1 1 1    9   25    7 o  264.043  111.335   0.1598   0.4625  -0.0246   0.7265   0.2854   0.5998  290.438  130.458  303.919  127.394 -13.48151 182.3422 
1 1 1    9   25    8 o  220.793   98.096  -0.0531   0.3991  -0.1212   0.5460   0.0250   0.5847  247.857  112.050  270.911  119.629 -23.05348 163.9100 
1 1 1    9   25    9 o  527.003  120.775   1.5410   0.5731   2.7506   1.0240   0.9891   0.6916  659.000  168.274  413.288  145.922 245.7129 222.7319 
1 1 1    9   25   10 o  869.774   86.248   3.8300   0.6812   3.2320   0.8017   5.3816   1.2915  770.803  116.689  948.955  153.122 -178.1513 192.5167 
1 1 1    9   25   11 o  205.347   95.023  -0.2303   0.4242  -0.0397   0.5707  -0.4655   0.6340  257.816  115.729  234.249  110.861 23.56621 160.2603 
1 1 1    9   25   12 o  1130.95   66.001   6.2893   0.6839   6.1629   0.9196   6.4456   1.0229  1086.16   92.905  1097.03  102.518 -10.86511 138.3515 
1 1 1    9   25   13 o  168.326   83.321  -0.9019   0.4801  -0.4845   0.5518  -2.2035   0.9744  210.392  100.646  213.685  107.646 -3.292816 147.3678 
1 1 1    9   25   14 o  254.084  110.161   0.1767   0.4763   0.1912   0.6252   0.1566   0.7351  275.555  122.588  284.598  129.202 -9.043823 178.1037 
1 1 1    9   25   15 o  265.154  111.142   0.3251   0.4565   0.4696   0.5895   0.1085   0.7216  294.190  124.954  269.438  124.418 24.75198 176.3330 
1 1 1    9   25   16 o  416.393  122.101   1.2122   0.4982   1.8716   0.6629   0.3563   0.7552  495.674  139.460  280.106  128.593 215.5685 189.6983 
1 1 1    9   25   17 o  293.260  144.317   0.5599   1.3695   0.5599   1.3695   0.0000   0.0000  293.260  144.317  ?   ?  0.000000 144.3168 
1 1 1    9   27    0 o  339.687  127.052   0.5760   0.5350   2.5865   1.1024  -0.0434   0.6118  621.845  181.427  268.679  120.271 353.1662 217.6716 
1 1 1    9   27    1 o  395.259  130.991   0.8776   0.5553   1.3526   1.0522   0.6942   0.6538  460.775  176.844  366.320  139.681 94.45493 225.3541 
1 1 1    9   27    2 o  448.530  131.934   1.1549   0.5809   1.4042   1.0575   1.0471   0.6951  467.142  177.759  423.263  146.497 43.87921 230.3473 
1 1 1    9   27    3 o  302.984  122.249   0.3536   0.5256  -0.2458   0.9395   0.6268   0.6342  305.371  141.346  355.218  137.042 -49.84729 196.8740 
1 1 1    9   27    4 o  279.870  120.082   0.1513   0.5545   1.2596   1.0235  -0.3091   0.6596  450.550  174.014  254.311  117.969 196.2385 210.2323 
1 1 1    9   27    5 o  337.876  119.136   0.5926   0.4609  -0.2277   0.6078   1.7027   0.7070  250.517  115.137  538.277  141.038 -287.7597 182.0672 
1 1 1    9   27    6 o  766.226   78.019   2.9215   0.5424   2.4526   0.7085   3.5856   0.8431  669.480  119.385  815.506  115.591 -146.0262 166.1745 
1 1 1    9   27    7 o  543.044  122.779   1.6548   0.5991   1.5811   0.9792   1.6990   0.7574  487.175  173.458  526.965  149.362 -39.79007 228.9034 
1 1 1    9   27    8 o  344.595  128.155   0.6249   0.5428   0.7298   0.9071   0.5664   0.6774  379.378  157.649  344.911  138.916 34.46664 210.1208 
1 1 1    9   27    9 o  391.233  135.020   0.9042   0.5903   0.5681   0.6991   1.7390   1.1017  343.269  140.069  486.025  182.219 -142.7557 229.8332 
1 1 1    9   27   10 o  814.692   79.659   3.3805   0.5895   3.2634   0.7959   3.5228   0.8775  760.121  117.586  778.880  126.798 -18.75824 172.9283 
1 1 1    9   27   11 o  479.224  134.164   1.4540   0.6150   2.0107   0.7444   0.2562   1.0919  555.245  144.354  331.302  153.007 223.9437 210.3549 
1 1 1    9   27   12 o  407.772  127.950   1.0765   0.5345   0.2063   0.6872   2.4087   0.8503  283.996  127.270  579.139  156.043 -295.1428 201.3632 
1 1 1    9   27   13 o  348.423  126.578   0.8173   0.5245   0.5433   0.6732   1.2404   0.8366  308.175  132.274  386.075  154.770 -77.89978 203.5932 
1 1 1    9   27   14 o  322.697  124.089   0.7351   0.5187  -0.0662   0.6796   1.8534   0.8028  244.223  115.333  452.933  157.401 -208.7106 195.1324 
1 1 1    9   27   15 o  223.699  105.279  -0.0533   0.5575   0.3755   0.7538  -0.5712   0.8283  272.917  126.424  225.870  111.363 47.04671 168.4773 
1 1 1    9   29    0 o  193.841   92.566  -0.4968   0.4625  -0.9381   0.6103   0.0981   0.7087  202.200   98.850  299.206  131.935 -97.00606 164.8579 
1 1 1    9   29    1 o  653.477  102.948   2.2459   0.5985   3.0008   0.9449   1.7400   0.7735  711.894  149.028  534.852  150.714 177.0420 211.9529 
1 1 1    9   29    2 o  685.555  103.182   2.4764   0.6307   3.0659   1.0339   2.1270   0.7960  700.971  163.323  596.724  146.132 104.2471 219.1553 
1 1 1    9   29    3 o  856.359   78.022   3.6567   0.6081   3.5578   0.8265   3.7733   0.8978  811.246  113.854  827.549  121.518 -16.30261 166.5210 
1 1 1    9   29    4 o  364.634  132.060   0.7338   0.5703   1.9616   1.0060   0.1525   0.6922  532.732  176.293  298.374  131.016 234.3585 219.6458 
1 1 1    9   29    5 o  1014.73   86.506   5.2528   0.8000   7.7817   1.4682   4.1850   0.9541  1148.55  141.947  863.563  123.593 284.9825 188.2129 
1 1 1    9   29    6 f  379.120  133.009   0.8426   0.5739   1.5658   0.8196   0.1470   0.8039  484.305  159.074  308.180  137.915 176.1251 210.5347 
1 1 1    9   29    7 o  256.215  115.131  -0.0074   0.5664   0.1547   0.6360  -0.6291   1.2454  284.046  125.128  306.394  147.758 -22.34821 193.6222 
1 1 1    9   29    8 o  393.602  136.407   0.9820   0.6027   0.2808   0.6854   3.3759   1.2663  299.380  130.939  636.488  196.498 -337.1082 236.1281 
1 1 1    9   29    9 o  697.304  142.282   3.1446   0.8820   3.6156   1.2276   2.6419   1.2681  656.334  191.444  523.426  195.644 132.9081 273.7288 
1 1 1    9   29   10 o  337.977  133.855   0.7363   0.6184   0.8210   0.7384   0.5373   1.1314  348.411  143.268  333.036  154.492 15.37408 210.6970 
1 1 1    9   29   11 o  170.820   84.534  -0.8100   0.4930  -0.7666   0.6290  -0.8794   0.7940  199.987   98.296  220.678  108.847 -20.69066 146.6616 
1 1 1    9   29   12 o  227.636  106.680  -0.0745   0.5621  -0.4904   0.7419   0.4861   0.8613  225.384  109.923  294.345  135.924 -68.96120 174.8098 
1 1 1    9   29   13 o  309.569  129.596   0.7710   0.6195   1.1018   0.8349   0.3659   0.9240  332.083  144.900  277.173  131.938 54.91016 195.9690 
1 1 1    9   31    0 f  318.497  136.355   0.3621   0.7121   0.9168   0.8975  -0.5807   1.1700  392.017  159.187  304.592  145.932 87.42520 215.9558 
1 1 1    9   31    1 o  241.582  115.285  -0.5467   0.7148  -0.8964   0.8470   0.3182   1.3322  244.902  118.992  363.367  168.234 -118.4651 206.0629 
1 1 1    9   31    2 o  493.067  158.357   1.6571   0.8148   1.4209   1.0367   2.0385   1.3176  441.649  173.821  489.456  194.897 -47.80673 261.1487 
1 1 1    9   31    3 o  426.977  153.729   1.2347   0.7712   1.2245   0.9760   1.2517   1.2582  416.542  167.104  415.283  179.555 1.258545 245.2823 
1 1 1    9   31    4 o  237.091  111.339  -0.2961   0.6177  -0.0302   0.7127  -1.0987   1.2381  273.491  125.322  281.157  138.134 -7.666412 186.5118 
1 1 1    9   31    5 o  321.697  140.688   0.4564   0.7911   1.2942   1.0979  -0.4482   1.1409  406.282  171.434  293.597  141.546 112.6849 222.3171 
1 1 1    9   31    6 o  469.102  166.516   1.7808   0.9018   1.2508   1.2656   2.3272   1.2852  388.988  173.634  477.391  191.669 -88.40329 258.6228 
1 1 1    9   31    7 o  475.034  165.809   1.9020   0.8914   2.0813   1.2789   1.7327   1.2430  438.245  184.980  412.430  178.393 25.81497 256.9858 
1 1 1    9   31    8 o  274.676  124.461   0.2329   0.6782   1.0557   0.8238  -1.4975   1.1946  360.812  150.108  245.372  123.007 115.4393 194.0701 
1 1 1    9   31    9 o  278.303  122.247   0.4001   0.6031  -0.2308   0.8049   1.2079   0.9108  247.774  119.311  357.270  153.617 -109.4960 194.5076 
1 1 1    9   31   10 o  369.167  136.831   1.1513   0.6177   1.2691   0.8471   1.0175   0.9027  353.458  149.945  326.380  146.094 27.07809 209.3490 
1 1 1    9   31   11 o  318.079  132.316   0.8963   0.6400   1.3977   0.9100   0.4058   0.9001  344.254  150.714  273.172  130.086 71.08231 199.0906 
1 1 1    9   33    0 o  199.546   97.173  -0.6570   0.5735  -0.5483   0.7399  -0.8206   0.9078  234.894  113.430  244.982  119.931 -10.08804 165.0752 
1 1 1    9   33    1 o  428.542  136.902   1.2750   0.6096   0.9907   0.7775   1.7287   0.9820  367.734  148.570  440.117  170.322 -72.38303 226.0146 
1 1 1    9   33    2 f  411.052  139.004   1.2153   0.6250   1.0223   0.8172   1.4873   0.9701  365.692  150.585  407.568  165.506 -41.87595 223.7594 
1 1 1    9   33    3 o  516.667  138.252   1.8740   0.6702   1.7305   0.8853   2.0665   1.0258  440.588  163.704  458.028  174.889 -17.43994 239.5526 
1 1 1    9   33    4 o  190.954   94.317  -0.8399   0.6035  -1.3749   0.7863  -0.0728   0.9415  199.779  100.099  273.672  131.064 -73.89330 164.9163 
1 1 1    9   33    5 o  211.242  103.267  -0.5920   0.6659  -1.1292   0.8053   0.5701   1.1844  208.262  103.883  310.638  148.284 -102.3761 181.0522 
1 1 1    9   33    6 o  333.435  139.664   0.9514   0.7200   1.3550   0.8975   0.2221   1.2063  361.948  153.967  287.213  140.097 74.73526 208.1661 
1 1 1    9   33    7 o  1870.68   97.854   21.350   1.6785   22.747   2.4113   20.036   2.3380  1606.84  165.447  1458.77  177.862 148.0701 242.9149 
1 1 1    9   33    8 o  257.575  119.327   0.3221   0.6717   0.3513   0.8965   0.2846   1.0142  267.841  128.171  268.003  130.214 -0.1623840 182.7117 
1 1 1    9   33    9 o  262.228  132.034  -0.0039   1.4559  -0.0039   1.4559   0.0000   0.0000  262.228  132.034  ?   ?  0.000000 132.0340 
1 1 1    9   35    0 o  216.682  104.794  -0.3188   0.6375   0.2965   0.8249  -1.2313   1.0046  271.429  127.841  221.403  111.239 50.02611 169.4622 
1 1 1    9   35    1 o  223.323  108.228  -0.2876   0.6888  -0.3500   0.8221  -0.1406   1.2619  233.860  114.411  268.464  133.270 -34.60410 175.6439 
1 1 1    9   35    2 f  271.415  126.757   0.4046   0.7822   0.1677   0.9285   0.9838   1.4517  263.252  127.111  302.682  148.882 -39.43042 195.7630 
1 1 1    9   35    3 o  273.022  126.977   0.4831   0.7720   0.1985   0.9229   1.1461   1.4087  260.887  126.151  302.715  148.446 -41.82843 194.8083 
1 1 1    9   35    4 o  169.383   86.172  -1.7657   0.7300  -1.7279   0.9033  -1.8370   1.2395  191.290   97.171  217.545  110.828 -26.25562 147.3944 
1 1 1   10    0    0 o  2172.16   39.980   21.759   0.7985   21.759   0.7985   21.759   0.7985  2172.16   39.980  2172.16   39.980 0.000000 0.000000 
1 1 1   10    0    1 o  173.564   87.662   0.2047   0.1736   0.2047   0.1736   0.2047   0.1736  173.564   87.662  173.564   87.662 0.000000 0.000000 
1 1 1   10    0    2 o  680.566   46.391   2.1641   0.2874   2.1641   0.2874   2.1641   0.2874  680.566   46.391  680.566   46.391 0.000000 0.000000 
1 1 1   10    0    3 o  956.560   43.584   4.2417   0.3818   4.2417   0.3818   4.2417   0.3818  956.560   43.584  956.560   43.584 0.000000 0.000000 
1 1 1   10    0    4 o  1413.24   42.365   9.2241   0.5498   9.2241   0.5498   9.2241   0.5498  1413.24   42.365  1413.24   42.365 0.000000 0.000000 
1 1 1   10    0    5 o  283.170   85.814   0.4587   0.1951   0.4587   0.1951   0.4587   0.1951  283.170   85.814  283.170   85.814 0.000000 0.000000 
1 1 1   10    0    6 o  873.292   49.842   3.5485   0.3975   3.5485   0.3975   3.5485   0.3975  873.292   49.842  873.292   49.842 0.000000 0.000000 
1 1 1   10    0    7 o  715.153   55.994   2.4022   0.3633   2.4022   0.3633   2.4022   0.3633  715.153   55.994  715.153   55.994 0.000000 0.000000 
1 1 1   10    0    8 o  1407.94   71.824   9.2509   0.9250   9.2509   0.9250   9.2509   0.9250  1407.94   71.824  1407.94   71.824 0.000000 0.000000 
1 1 1   10    0    9 o  173.461  102.568   0.1612   0.2819   0.1612   0.2819   0.1612   0.2819  173.461  102.568  173.461  102.568 0.000000 0.000000 
1 1 1   10    0   10 f  151.579   94.714   0.0694   0.2707   0.0694   0.2707   0.0694   0.2707  151.579   94.714  151.579   94.714 0.000000 0.000000 
1 1 1   10    0   11 o  105.171   76.047  -0.7213   0.3850  -0.7213   0.3850  -0.7213   0.3850  105.171   76.047  105.171   76.047 0.000000 0.000000 
1 1 1   10    0   12 o  289.456  123.269   0.5719   0.3340   0.5719   0.3340   0.5719   0.3340  289.456  123.269  289.456  123.269 0.000000 0.000000 
1 1 1   10    0   13 o  1073.71   57.665   5.4298   0.5660   5.4298   0.5660   5.4298   0.5660  1073.71   57.665  1073.71   57.665 0.000000 0.000000 
1 1 1   10    0   14 o  224.139  122.096   0.3565   0.3567   0.3565   0.3567   0.3565   0.3567  224.139  122.096  224.139  122.096 0.000000 0.000000 
1 1 1   10    0   15 o  219.326  122.052   0.3339   0.3650   0.3339   0.3650   0.3339   0.3650  219.326  122.052  219.326  122.052 0.000000 0.000000 
1 1 1   10    0   16 f  189.089  113.857   0.1916   0.3595   0.1916   0.3595   0.1916   0.3595  189.089  113.857  189.089  113.857 0.000000 0.000000 
1 1 1   10    0   17 o  494.348  121.642   1.3601   0.4791   1.3601   0.4791   1.3601   0.4791  494.348  121.642  494.348  121.642 0.000000 0.000000 
1 1 1   10    0   18 o  224.254  128.317   0.3285   0.4182   0.3285   0.4182   0.3285   0.4182  224.254  128.317  224.254  128.317 0.000000 0.000000 
1 1 1   10    0   19 o  422.363  144.747   1.1172   0.5055   1.1172   0.5055   1.1172   0.5055  422.363  144.747  422.363  144.747 0.000000 0.000000 
1 1 1   10    0   20 o  718.679  194.655   3.1225   1.1126   3.1225   1.1126   3.1225   1.1126  718.679  194.655  718.679  194.655 0.000000 0.000000 
1 1 1   10    0   21 o  191.614  132.509  -0.4767   0.7949  -0.4767   0.7949  -0.4767   0.7949  191.614  132.509  191.614  132.509 0.000000 0.000000 
1 1 1   10    0   22 o  791.660  141.380   3.4497   0.9321   3.4497   0.9321   3.4497   0.9321  791.660  141.380  791.660  141.380 0.000000 0.000000 
1 1 1   10    0   23 o  181.572  122.510  -0.1213   0.5942  -0.1213   0.5942  -0.1213   0.5942  181.572  122.510  181.572  122.510 0.000000 0.000000 
1 1 1   10    2    0 o  2578.10   27.726   30.618   0.6577   29.947   0.9110   31.349   0.9506  2548.16   38.854  2607.01   39.627 -58.84595 55.49708 
1 1 1   10    2    1 o  1718.14   28.482   13.600   0.4503   13.199   0.6296   14.019   0.6443  1691.54   40.451  1743.28   40.164 -51.73877 57.00374 
1 1 1   10    2    2 o  2454.45   27.963   27.751   0.6315   28.043   0.8978   27.466   0.8885  2465.77   39.572  2440.28   39.568 25.49731 55.96008 
1 1 1   10    2    3 o  1387.65   29.098   8.8701   0.3715   8.4678   0.5155   9.3050   0.5360  1354.97   41.346  1420.40   41.008 -65.43311 58.23369 
1 1 1   10    2    4 o  306.001   47.037   0.4420   0.1282   0.5345   0.1807   0.3484   0.1819  334.896   60.890  269.611   71.971 65.28467 94.27296 
1 1 1   10    2    5 o  194.168   61.415   0.1714   0.1229   0.1508   0.1672   0.1957   0.1813  198.041   71.539  216.390   74.820 -18.34898 103.5178 
1 1 1   10    2    6 o  1392.81   32.530   8.9390   0.4169   8.5600   0.5802   9.3436   0.5994  1361.88   46.302  1422.90   45.783 -61.02197 65.11526 
1 1 1   10    2    7 o  1314.07   39.365   7.9693   0.4760   7.5467   0.7996   8.2012   0.5924  1272.97   68.519  1332.01   48.330 -59.03638 83.84881 
1 1 1   10    2    8 o  1565.72   40.689   11.336   0.5862   11.113   1.0023   11.452   0.7227  1542.49   70.614  1571.69   49.974 -29.19177 86.50835 
1 1 1   10    2    9 o  349.579   80.219   0.6008   0.2526   0.9117   0.3274   0.1442   0.3968  430.989   85.585  258.234  105.471 172.7545 135.8273 
1 1 1   10    2   10 o  319.188   80.789   0.5059   0.2375   0.7697   0.2878  -0.0569   0.4204  394.234   82.014  232.477  102.091 161.7575 130.9534 
1 1 1   10    2   11 o  1425.61   37.578   9.4566   0.4929   9.7476   0.6486   9.0585   0.7585  1441.80   48.889  1383.60   59.574 58.19788 77.06627 
1 1 1   10    2   12 o  724.186   50.851   2.4858   0.3367   2.8110   0.4567   2.0983   0.4984  763.071   65.679  647.829   85.716 115.2416 107.9861 
1 1 1   10    2   13 o  603.491   56.951   1.7505   0.3125   1.5088   0.3908   2.1792   0.5205  548.875   79.706  655.511   88.562 -106.6350 119.1482 
1 1 1   10    2   14 o  648.853   54.050   2.0161   0.3198   1.4345   0.4254   2.7718   0.4849  527.821   90.861  751.407   70.972 -223.5855 115.2937 
1 1 1   10    2   15 o  397.872   79.272   0.8047   0.2800   1.2293   0.4075   0.4247   0.3855  485.605   94.588  297.788  108.467 187.8169 143.9170 
1 1 1   10    2   16 o  700.296   63.284   2.3767   0.4034   2.3273   0.7873   2.3943   0.4697  636.902  138.300  696.291   74.471 -59.38922 157.0756 
1 1 1   10    2   17 o  472.641   89.465   1.1428   0.3748   0.2322   0.6979   1.5121   0.4444  314.835  134.892  543.805   92.096 -228.9700 163.3325 
1 1 1   10    2   18 o  733.343   57.452   2.5671   0.3846   2.4022   0.5587   2.7157   0.5302  691.693   89.904  742.950   78.757 -51.25714 119.5217 
1 1 1   10    2   19 o  761.493   67.918   2.8096   0.4709   3.6178   0.7742   2.3350   0.5933  839.684  102.314  675.537   98.327 164.1467 141.9028 
1 1 1   10    2   20 o  757.939   70.416   2.8124   0.4855   3.7589   0.7373   2.0877   0.6451  857.026   95.093  620.290  117.320 236.7361 151.0187 
1 1 1   10    2   21 o  352.784  110.287   0.6878   0.3975   0.3983   0.7004   0.8254   0.4828  323.205  136.680  379.966  121.886 -56.76132 183.1331 
1 1 1   10    2   22 o  520.480  110.824   1.5571   0.5145   1.4898   0.6356   1.6851   0.8762  480.742  137.021  473.917  164.453 6.824982 214.0554 
1 1 1   10    2   23 o  473.370  105.509   1.3297   0.4478   1.5212   0.6598   1.1661   0.6098  458.495  141.886  403.565  137.299 54.93002 197.4406 
1 1 1   10    4    0 o  297.022   56.314   0.4213   0.1483   0.5104   0.1709   0.1496   0.2984  327.258   58.910  236.656   93.217 90.60246 110.2711 
1 1 1   10    4    1 o  1846.00   27.804   15.697   0.4723   14.966   0.6489   16.522   0.6887  1801.40   39.146  1892.67   39.547 -91.27173 55.64471 
1 1 1   10    4    2 o  1639.20   27.919   12.377   0.4211   12.129   0.5905   12.633   0.6007  1621.78   39.568  1655.12   39.446 -33.33276 55.87099 
1 1 1   10    4    3 o  1519.10   28.785   10.629   0.4024   10.620   0.5657   10.638   0.5725  1517.65   40.506  1518.86   40.960 -1.205444 57.60563 
1 1 1   10    4    4 o  503.228   38.144   1.1740   0.1753   1.1295   0.2462   1.2197   0.2497  491.426   55.413  511.121   53.905 -19.69443 77.30650 
1 1 1   10    4    5 o  1703.78   30.824   13.373   0.4833   13.307   0.6802   13.439   0.6867  1698.54   43.518  1706.93   43.723 -8.391968 61.68879 
1 1 1   10    4    6 o  2431.37   32.134   27.243   0.7189   26.367   1.0077   28.150   1.0259  2389.94   45.824  2469.56   45.147 -79.62061 64.32789 
1 1 1   10    4    7 o  386.696   58.206   0.7084   0.2007   0.5359   0.2999   0.8482   0.2700  333.342   93.820  421.128   72.292 -87.78683 118.4418 
1 1 1   10    4    8 o  3185.64   30.478   46.842   0.8934   46.641   1.1515   47.146   1.4162  3175.35   39.408  3188.19   48.273 -12.83496 62.31635 
1 1 1   10    4    9 o  1358.87   45.468   8.5842   0.5685   9.6438   0.7109   6.7041   0.9469  1437.35   53.750  1181.52   87.726 255.8333 102.8834 
1 1 1   10    4   10 o  873.294   46.902   3.5700   0.3755   3.8511   0.4422   2.8430   0.7112  904.865   53.342  752.980  105.547 151.8857 118.2601 
1 1 1   10    4   11 o  194.949   77.869   0.1047   0.2109  -0.0069   0.3037   0.2087   0.2932  202.973   87.986  240.937   93.115 -37.96396 128.1092 
1 1 1   10    4   12 o  207.662   86.804   0.0743   0.2773   0.1213   0.5069   0.0543   0.3313  269.970  115.296  219.480   93.462 50.48930 148.4189 
1 1 1   10    4   13 o  697.532   58.905   2.3424   0.3745   1.6076   0.6705   2.6756   0.4516  527.161  136.982  741.152   66.934 -213.9908 152.4609 
1 1 1   10    4   14 o  157.523   72.311  -0.1422   0.2387  -0.1847   0.3234  -0.0913   0.3539  182.160   83.820  203.186   91.176 -21.02670 123.8501 
1 1 1   10    4   15 o  650.506   53.653   2.0255   0.3183   2.1509   0.4506   1.9007   0.4496  658.243   75.786  614.931   81.465 43.31146 111.2654 
1 1 1   10    4   16 o  546.648   60.915   1.4485   0.3012   1.7615   0.4594   1.2125   0.3989  588.792   87.441  483.742   92.999 105.0505 127.6512 
1 1 1   10    4   17 o  892.255   48.512   3.7630   0.3968   4.0099   0.5965   3.5671   0.5314  906.899   72.077  857.832   67.878 49.06720 99.00710 
1 1 1   10    4   18 o  597.031   62.702   1.7186   0.3393   0.8767   0.4629   2.6967   0.4989  403.826  117.487  743.097   73.945 -339.2714 138.8201 
1 1 1   10    4   19 o  498.952   88.992   1.2659   0.3936   1.2636   0.6128   1.2675   0.5135  473.232  134.422  484.031  116.667 -10.79926 177.9900 
1 1 1   10    4   20 o  223.279   97.034   0.0198   0.3712   0.4544   0.5565  -0.3285   0.4983  321.864  127.140  216.999  101.286 104.8654 162.5527 
1 1 1   10    4   21 o  253.915  104.864   0.2037   0.3978   0.2950   0.5232   0.0784   0.6125  287.664  119.646  275.121  121.915 12.54318 170.8166 
1 1 1   10    4   22 o  699.012   70.204   2.4753   0.4455   3.0318   0.6675   2.0284   0.5981  740.974  100.492  590.561  114.201 150.4128 152.1201 
1 1 1   10    4   23 o  793.447   82.062   3.3899   0.5905   3.1866   0.9298   3.5273   0.7644  652.850  156.758  765.409  111.834 -112.5594 192.5613 
1 1 1   10    6    0 o  1125.76   51.589   5.8533   0.5344   6.4241   0.7746   5.3347   0.7383  1175.10   71.983  1069.81   75.480 105.2930 104.3010 
1 1 1   10    6    1 f  2168.22   47.492   21.697   0.9475   22.295   1.3515   21.119   1.3287  2194.55   66.930  2135.72   67.612 58.82324 95.13688 
1 1 1   10    6    2 o  582.383   39.371   1.5707   0.2097   1.5986   0.2352   1.4624   0.4638  587.095   43.848  553.061   94.529 34.03387 104.2040 
1 1 1   10    6    3 o  920.969   30.640   3.9070   0.2597   4.0440   0.3663   3.7687   0.3681  936.453   42.513  903.932   44.256 32.52142 61.36699 
1 1 1   10    6    4 o  1294.43   27.855   7.7168   0.3318   8.1916   0.4362   7.0652   0.5110  1333.22   35.557  1237.56   44.875 95.66345 57.25442 
1 1 1   10    6    5 o  2362.19   30.162   25.707   0.6556   26.258   0.9128   25.121   0.9422  2385.89   41.577  2333.30   43.885 52.58154 60.45274 
1 1 1   10    6    6 o  1418.38   28.194   9.2707   0.3680   9.2388   0.5107   9.3052   0.5307  1414.89   39.224  1419.81   40.622 -4.919922 56.46819 
1 1 1   10    6    7 f  659.585   45.831   2.0232   0.2764   2.5021   0.5641   1.8719   0.3171  724.947   86.257  632.777   55.011 92.16974 102.3058 
1 1 1   10    6    8 o  1040.80   39.201   5.0169   0.3754   5.6072   0.7910   4.8453   0.4265  1086.51   79.676  1021.70   45.370 64.80566 91.68803 
1 1 1   10    6    9 o  1023.84   37.563   4.8622   0.3539   4.2799   0.4458   5.8546   0.5819  956.061   50.855  1116.28   56.844 -160.2161 76.27225 
1 1 1   10    6   10 o  1087.47   42.878   5.5158   0.4291   5.6339   0.5971   5.3898   0.6170  1090.61   59.725  1064.80   63.253 25.81335 86.99466 
1 1 1   10    6   11 o  298.159   79.259   0.4481   0.2212   0.5648   0.3145   0.3340   0.3111  331.678   96.950  272.091   97.676 59.58704 137.6220 
1 1 1   10    6   12 o  488.957   70.547   1.1789   0.3082   0.7598   0.4439   1.5691   0.4283  375.248  116.426  556.866   86.380 -181.6177 144.9707 
1 1 1   10    6   13 o  1040.76   41.531   5.0849   0.3977   5.3705   0.5694   4.8128   0.5558  1057.66   58.738  999.669   60.708 57.99347 84.47271 
1 1 1   10    6   14 o  437.902   70.237   0.9532   0.2734   0.6982   0.3777   1.2342   0.3965  360.303  106.497  488.024   91.650 -127.7208 140.5038 
1 1 1   10    6   15 o  341.361   88.355   0.6067   0.2797   0.7951   0.3986   0.4240   0.3925  383.132  108.270  298.308  109.331 84.82388 153.8692 
1 1 1   10    6   16 o  862.508   48.729   3.5248   0.3852   2.4132   0.4933   5.2600   0.6164  697.047   78.267  1043.24   64.526 -346.1895 101.4357 
1 1 1   10    6   17 o  1063.03   46.793   5.3153   0.4577   5.6300   0.6586   5.0214   0.6366  1080.25   66.580  1018.76   68.301 61.48932 95.38347 
1 1 1   10    6   18 o  1145.57   53.745   6.2082   0.5665   7.9142   0.9494   5.2647   0.7060  1268.66   81.764  1039.84   74.275 228.8170 110.4631 
1 1 1   10    6   19 o  595.962   66.296   1.7277   0.3574   1.4909   0.5049   1.9656   0.5060  531.056  107.013  622.118   91.092 -91.06201 140.5333 
1 1 1   10    6   20 o  551.287   77.779   1.5252   0.3836   1.7688   0.5541   1.3010   0.5315  573.115  109.062  481.881  120.258 91.23462 162.3470 
1 1 1   10    6   21 o  422.063  125.870   1.0628   0.5258   0.9343   0.6566   1.2924   0.8777  389.878  141.632  434.176  162.672 -44.29785 215.6890 
1 1 1   10    6   22 o  246.359  100.626   0.2396   0.3612   0.2879   0.5384   0.2001   0.4872  277.129  118.602  259.318  111.925 17.81055 163.0759 
1 1 1   10    6   23 o  208.867   98.439  -0.2202   0.4906  -0.4321   0.7622  -0.0703   0.6410  237.589  114.828  244.953  114.514 -7.364029 162.1694 
1 1 1   10    8    0 f  490.479   75.645   1.1402   0.3304   1.5782   0.4901   0.7753   0.4474  574.905   96.035  402.306  115.059 172.5996 149.8708 
1 1 1   10    8    1 o  1363.66   26.143   8.5630   0.3280   8.3873   0.3468   10.055   1.0108  1349.53   27.928  1471.26   74.910 -121.7286 79.94688 
1 1 1   10    8    2 o  2472.82   49.415   28.221   1.1244   28.249   1.5865   28.193   1.5939  2470.21   69.796  2467.70   70.192 2.505127 98.98671 
1 1 1   10    8    3 o  500.603   45.051   1.1654   0.2053   0.0000   0.0000   1.1654   0.2053  ?   ?   500.603   45.051 0.000000 45.05120 
1 1 1   10    8    4 o  1617.69   34.333   12.062   0.5111   0.0000   0.0000   12.062   0.5111  ?   ?   1617.69   34.333 0.000000 34.33292 
1 1 1   10    8    5 o  1410.40   26.075   9.1645   0.3384   9.4883   0.4864   8.8609   0.4711  1434.13   36.861  1385.90   36.941 48.23157 52.18597 
1 1 1   10    8    6 o  829.706   30.741   3.1755   0.2347   3.2208   0.3319   3.1303   0.3319  833.400   43.428  821.484   44.073 11.91553 61.87423 
1 1 1   10    8    7 o  965.125   33.763   4.3048   0.2998   4.4355   0.3962   4.1296   0.4588  978.129   44.015  940.702   53.219 37.42627 69.06196 
1 1 1   10    8    8 o  1193.04   34.269   6.5898   0.3762   6.5242   0.4903   6.6837   0.5865  1184.41   44.992  1196.21   53.288 -11.79858 69.74146 
1 1 1   10    8    9 o  503.205   46.985   1.1925   0.2150   1.3824   0.3094   1.0150   0.2991  537.229   63.839  456.080   73.784 81.14905 97.56812 
1 1 1   10    8   10 o  918.015   45.641   3.9470   0.3855   4.1348   0.5433   3.7565   0.5472  929.821   63.892  883.971   67.785 45.84998 93.15042 
1 1 1   10    8   11 o  307.743   78.407   0.4802   0.2227   0.6522   0.3312   0.3384   0.3007  353.340   98.292  270.541   96.149 82.79913 137.4989 
1 1 1   10    8   12 o  627.953   50.312   1.8781   0.2883   1.6383   0.3999   2.1374   0.4159  572.895   77.883  660.397   69.485 -87.50171 104.3740 
1 1 1   10    8   13 o  123.945   60.870  -0.4571   0.2396  -0.5872   0.3752  -0.3675   0.3114  161.593   78.671  158.637   75.812 2.955948 109.2549 
1 1 1   10    8   14 o  846.906   46.583   3.3959   0.3616   3.1693   0.5129   3.6198   0.5099  803.974   70.034  863.390   64.652 -59.41620 95.31402 
1 1 1   10    8   15 o  444.913   73.929   0.9902   0.2920   0.8773   0.4177   1.0982   0.4085  401.450  109.873  455.111  100.248 -53.66141 148.7338 
1 1 1   10    8   16 o  889.586   50.676   3.7549   0.4131   3.3351   0.5701   4.2188   0.5994  822.685   76.181  930.190   70.551 -107.5045 103.8314 
1 1 1   10    8   17 o  742.916   57.421   2.6367   0.3895   2.1325   0.5278   3.2394   0.5771  649.983   90.726  811.639   78.239 -161.6555 119.8024 
1 1 1   10    8   18 o  852.885   62.285   3.4929   0.4854   3.9606   0.7790   3.1961   0.6207  882.873   97.520  801.098   85.519 81.77545 129.7061 
1 1 1   10    8   19 o  308.344  103.769   0.4808   0.3483   0.7940   0.5136   0.2142   0.4739  381.054  125.965  275.008  114.086 106.0461 169.9488 
1 1 1   10    8   20 f  847.635   66.039   3.5167   0.5110   2.9991   0.6808   4.1846   0.7734  753.695  100.685  897.427   95.103 -143.7319 138.4990 
1 1 1   10    8   21 o  913.661   68.277   4.1639   0.5699   4.1655   0.8424   4.1625   0.7738  866.253  108.028  879.960   97.190 -13.70770 145.3135 
1 1 1   10    8   22 o  257.237  103.639   0.3028   0.3772  -0.3919   0.5266   1.0349   0.5406  206.407   98.624  393.874  129.175 -187.4667 162.5204 
1 1 1   10    8   23 o  350.866  145.549   1.0061   0.7713   0.3460   0.9289   2.4716   1.3841  294.933  137.872  423.413  185.608 -128.4801 231.2119 
1 1 1   10   10    0 o  1253.92   37.762   7.2475   0.4357   7.1751   0.4914   7.5136   0.9420  1247.31   42.818  1269.96   81.029 -22.65735 91.64672 
1 1 1   10   10    1 o  2830.16   37.315   36.922   0.9718   37.317   1.1415   35.883   1.8519  2844.26   43.617  2782.68   72.324 61.58008 84.45814 
1 1 1   10   10    2 o  2483.25   39.626   28.439   0.9055   28.214   1.0669   29.017   1.7119  2472.25   46.900  2500.89   74.391 -28.64575 87.94122 
1 1 1   10   10    3 o  400.345   39.088   0.7464   0.1422   0.7738   0.1767   0.6961   0.2394  406.456   48.179  381.305   70.833 25.15067 85.66539 
1 1 1   10   10    4 o  437.806   36.036   0.8904   0.1439   0.8447   0.2050   0.9348   0.2020  423.770   53.775  446.751   50.003 -22.98114 73.43053 
1 1 1   10   10    5 o  1342.60   26.897   8.3116   0.3323   8.0613   0.4627   8.5782   0.4775  1320.77   38.071  1362.46   38.089 -41.68506 53.85366 
1 1 1   10   10    6 o  848.729   33.371   3.3294   0.2606   3.4952   0.3514   3.1267   0.3885  867.019   44.198  818.269   51.862 48.74963 68.14015 
1 1 1   10   10    7 o  704.856   36.032   2.3076   0.2329   2.4645   0.3423   2.1724   0.3178  724.952   51.657  680.553   51.124 44.39917 72.67864 
1 1 1   10   10    8 o  1689.13   30.280   13.208   0.4706   13.276   0.6668   13.140   0.6643  1688.26   42.924  1679.58   42.986 8.682495 60.74738 
1 1 1   10   10    9 o  1218.17   33.363   6.8908   0.3740   6.8217   0.5293   6.9596   0.5284  1206.27   47.690  1218.67   47.120 -12.39758 67.04205 
1 1 1   10   10   10 o  281.862   83.046   0.3995   0.2300   0.7700   0.3456   0.1049   0.3081  384.187   97.565  222.284   92.084 161.9032 134.1579 
1 1 1   10   10   11 o  349.095   71.774   0.6121   0.2229   0.7353   0.3255   0.5033   0.3058  374.362   94.481  312.126   96.590 62.23602 135.1155 
1 1 1   10   10   12 o  540.596   57.669   1.4122   0.2824   1.2104   0.3887   1.6380   0.4111  483.595   90.679  570.487   80.557 -86.89206 121.2934 
1 1 1   10   10   13 o  473.931   79.878   1.1369   0.3360   1.4503   0.4992   0.8774   0.4542  518.778  108.078  397.905  116.564 120.8727 158.9594 
1 1 1   10   10   14 o  606.091   58.796   1.7752   0.3238   2.0487   0.4685   1.5250   0.4480  638.094   81.662  542.525   93.095 95.56909 123.8357 
1 1 1   10   10   15 o  553.560   63.530   1.4922   0.3177   1.2094   0.4456   1.7848   0.4533  476.103  104.564  593.687   85.430 -117.5835 135.0251 
1 1 1   10   10   16 f  366.719   91.195   0.6972   0.3064   0.6659   0.4194   0.7331   0.4489  354.943  113.573  370.009  117.402 -15.06592 163.3470 
1 1 1   10   10   17 o  525.030   79.573   1.3724   0.3724   1.9260   0.6355   1.0829   0.4596  598.428  119.586  449.887  111.559 148.5407 163.5431 
1 1 1   10   10   18 o  307.052  100.688   0.4765   0.3284   0.2996   0.4485   0.6810   0.4823  285.143  113.658  359.520  122.098 -74.37616 166.8116 
1 1 1   10   10   19 o  315.948  110.858   0.5077   0.3987   0.1838   0.4944   1.1101   0.6743  272.577  115.029  432.684  144.385 -160.1070 184.6043 
1 1 1   10   10   20 o  311.521  106.774   0.5170   0.3688   0.7094   0.4928   0.2720   0.5561  353.990  123.306  288.438  121.875 65.55161 173.3722 
1 1 1   10   10   21 o  375.489  122.210   0.8683   0.4842   1.2083   0.6706   0.4980   0.6998  420.263  143.970  319.261  135.889 101.0023 197.9727 
1 1 1   10   10   22 o  515.885   91.238   1.4936   0.4173   2.0094   0.6227   1.0733   0.5621  558.388  124.378  390.634  131.828 167.7540 181.2418 
1 1 1   10   12    0 o  1445.97   29.040   9.6352   0.3864   9.1890   0.5285   10.148   0.5663  1410.99   40.706  1482.68   41.511 -71.68506 58.13923 
1 1 1   10   12    1 o  1730.38   29.013   13.800   0.4619   14.646   0.6718   13.042   0.6363  1781.04   40.991  1680.61   41.143 100.4292 58.07754 
1 1 1   10   12    2 o  516.929   40.741   1.2420   0.1922   1.0013   0.2611   1.5267   0.2840  460.040   63.371  571.383   54.676 -111.3437 83.69847 
1 1 1   10   12    3 o  429.255   49.447   0.8650   0.1917   0.8639   0.2769   0.8661   0.2658  424.058   73.625  425.331   70.372 -1.273132 101.8471 
1 1 1   10   12    4 f  627.611   38.097   1.8287   0.2190   1.8098   0.2550   1.8820   0.4273  623.261   44.762  628.693   75.366 -5.431946 87.65652 
1 1 1   10   12    5 o  817.566   37.230   3.0957   0.2801   3.0618   0.3278   3.1874   0.5390  810.835   44.101  819.189   72.251 -8.354248 84.64672 
1 1 1   10   12    6 o  959.848   35.231   4.2695   0.3112   4.2528   0.3924   4.2977   0.5108  955.902   44.607  955.362   58.388 0.5396729 73.47780 
1 1 1   10   12    7 o  737.131   35.912   2.5228   0.2436   2.6957   0.3469   2.3545   0.3421  757.187   50.068  706.498   53.016 50.68811 72.92066 
1 1 1   10   12    8 o  621.282   41.333   1.8094   0.2349   1.7528   0.3227   1.8732   0.3427  605.826   58.618  625.826   60.263 -19.99994 84.06942 
1 1 1   10   12    9 o  365.208   65.801   0.6573   0.2130   0.5590   0.3081   0.7474   0.2948  329.082   95.881  382.482   85.865 -53.39960 128.7088 
1 1 1   10   12   10 o  624.783   57.767   1.8779   0.3283   1.9701   0.4579   1.7804   0.4711  627.257   81.237  590.973   89.432 36.28326 120.8204 
1 1 1   10   12   11 o  167.612   73.180  -0.0178   0.2132   0.5250   0.3074  -0.5212   0.2960  316.865   96.647  140.141   68.581 176.7241 118.5072 
1 1 1   10   12   12 o  398.680   74.066   0.8011   0.2617   0.9125   0.3783   0.6988   0.3624  412.935  100.513  360.390  103.705 52.54477 144.4215 
1 1 1   10   12   13 o  1015.96   53.266   4.9274   0.4962   4.5141   0.7138   5.3140   0.6903  948.636   82.593  1039.29   72.645 -90.65204 109.9949 
1 1 1   10   12   14 o  290.127   93.694   0.4280   0.2849   0.8663   0.4067   0.0055   0.3993  399.358  108.050  228.108   99.849 171.2502 147.1212 
1 1 1   10   12   15 o  663.669   58.853   2.1194   0.3557   1.9642   0.4875   2.2958   0.5200  622.809   87.485  675.239   85.622 -52.42981 122.4122 
1 1 1   10   12   16 o  374.775  102.035   0.7395   0.3613   1.1649   0.6134   0.5134   0.4472  453.936  136.080  324.747  117.045 129.1891 179.4918 
1 1 1   10   12   17 o  161.372   76.060  -0.2835   0.2930  -0.0553   0.3865  -0.5918   0.4492  218.559   96.848  184.219   88.814 34.33926 131.4058 
1 1 1   10   12   18 o  574.292   74.044   1.6342   0.3822   2.0062   0.5525   1.2929   0.5292  620.189  100.236  483.306  119.632 136.8830 156.0738 
1 1 1   10   12   19 o  287.686  108.931   0.3849   0.3959   0.8749   0.5110  -0.3504   0.6260  390.182  125.424  240.901  112.795 149.2808 168.6827 
1 1 1   10   12   20 o  211.355   94.467  -0.0355   0.3759   0.1048   0.5383  -0.1691   0.5252  261.043  115.052  230.513  106.341 30.53061 156.6698 
1 1 1   10   12   21 o  425.463  123.373   1.1637   0.5112   1.3173   0.6779   0.9613   0.7782  425.264  144.763  364.709  148.182 60.55530 207.1573 
1 1 1   10   12   22 o  221.591   99.752   0.0492   0.4274   0.0899   0.5757  -0.0009   0.6381  247.202  113.038  246.977  115.056 0.2243347 161.2933 
1 1 1   10   14    0 o  800.487   37.339   2.9625   0.2750   2.8485   0.3498   3.1469   0.4450  782.102   48.856  819.922   59.387 -37.82019 76.90076 
1 1 1   10   14    1 o  348.213   60.165   0.5811   0.1858   0.8137   0.2504   0.2963   0.2771  411.635   68.525  263.536   92.427 148.0994 115.0585 
1 1 1   10   14    2 o  641.559   44.718   1.9193   0.2623   2.2669   0.3520   1.4848   0.3935  695.133   55.487  555.393   79.248 139.7395 96.74231 
1 1 1   10   14    3 o  632.342   46.252   1.8691   0.2673   2.0940   0.3531   1.5676   0.4089  666.581   58.157  569.532   80.242 97.04852 99.10122 
1 1 1   10   14    4 o  1027.90   37.957   4.9018   0.3590   4.3938   0.4846   5.5199   0.5345  967.424   54.659  1086.36   53.472 -118.9378 76.46454 
1 1 1   10   14    5 f  952.277   35.199   4.2070   0.3084   4.1189   0.3796   4.3781   0.5291  940.101   43.882  962.142   60.061 -22.04126 74.38386 
1 1 1   10   14    6 o  836.475   38.330   3.2566   0.2950   3.5872   0.3786   2.7455   0.4708  874.087   47.244  755.846   68.432 118.2409 83.15607 
1 1 1   10   14    7 o  332.947   73.809   0.5546   0.2202   0.5199   0.2735   0.6184   0.3712  319.434   89.482  345.894  106.319 -26.46030 138.9633 
1 1 1   10   14    8 o  290.166   80.635   0.4270   0.2230   0.6655   0.2953   0.1105   0.3403  358.775   89.697  231.032   96.325 127.7429 131.6211 
1 1 1   10   14    9 o  235.456   84.833   0.2467   0.2349   0.0849   0.2973   0.5155   0.3832  214.139   89.719  317.628  108.837 -103.4884 141.0497 
1 1 1   10   14   10 o  576.309   63.082   1.6191   0.3291   1.8818   0.4580   1.3387   0.4731  609.429   83.889  498.749  106.341 110.6798 135.4471 
1 1 1   10   14   11 o  191.773   77.901   0.0959   0.2150  -0.0676   0.2916   0.2907   0.3183  186.781   83.361  259.239   97.791 -72.45844 128.4998 
1 1 1   10   14   12 o  547.821   59.485   1.4565   0.2950   1.0557   0.3924   1.9780   0.4475  445.804   98.295  627.618   79.261 -181.8135 126.2703 
1 1 1   10   14   13 f  734.990   61.051   2.6148   0.4092   2.3619   0.5915   2.8468   0.5666  672.912   98.435  751.695   83.317 -78.78394 128.9613 
1 1 1   10   14   14 o  875.253   48.700   3.6314   0.3907   3.6840   0.5473   3.5767   0.5579  868.939   69.015  854.261   71.630 14.67859 99.46768 
1 1 1   10   14   15 o  871.945   62.312   3.6570   0.4967   4.9722   0.7860   2.7828   0.6408  998.181   86.423  737.839   96.713 260.3422 129.7015 
1 1 1   10   14   16 o  451.228   83.424   1.0298   0.3336   0.4569   0.4365   1.8343   0.5173  312.239  115.165  597.047   97.531 -284.8078 150.9151 
1 1 1   10   14   17 f  632.635   68.065   1.9560   0.3900   1.9200   0.5524   1.9918   0.5507  605.304  102.854  618.605  100.171 -13.30121 143.5723 
1 1 1   10   14   18 o  908.637   63.399   4.0138   0.5268   4.3529   0.6862   3.5274   0.8219  931.117   80.898  806.015  113.995 125.1022 139.7830 
1 1 1   10   14   19 o  576.858   84.169   1.7274   0.4336   1.6759   0.5904   1.7876   0.6389  535.378  122.502  546.848  129.047 -11.46991 177.9323 
1 1 1   10   14   20 o  436.733  106.723   1.1125   0.4252   0.9569   0.5750   1.3003   0.6318  381.459  133.169  437.247  139.346 -55.78818 192.7463 
1 1 1   10   14   21 o  330.290  131.919   0.7545   0.6053   1.2773   0.7763  -0.0566   0.9669  390.251  151.321  278.064  133.074 112.1874 201.5117 
1 1 1   10   16    0 f  620.098   43.868   1.7973   0.2487   2.0185   0.3429   1.5518   0.3612  653.776   57.586  568.734   70.540 85.04138 91.06071 
1 1 1   10   16    1 o  179.182   71.586   0.0813   0.1783   0.2379   0.2540  -0.0707   0.2504  241.655   88.046  175.714   77.900 65.94127 117.5607 
1 1 1   10   16    2 o  1057.34   38.227   5.1933   0.3719   6.1055   0.5421   4.3823   0.5112  1141.95   51.593  963.701   57.915 178.2525 77.56300 
1 1 1   10   16    3 o  693.032   44.950   2.2514   0.2851   1.9267   0.3877   2.6338   0.4207  633.409   67.558  743.840   62.036 -110.4307 91.71947 
1 1 1   10   16    4 o  866.757   42.891   3.5086   0.3421   3.6763   0.4845   3.3420   0.4830  879.010   60.268  836.526   63.220 42.48407 87.34394 
1 1 1   10   16    5 o  398.541   72.245   0.7863   0.2552   0.9734   0.3621   0.6015   0.3597  435.831   93.114  341.577  104.606 94.25409 140.0457 
1 1 1   10   16    6 o  214.855   83.853   0.1579   0.2396   0.2071   0.3327   0.1050   0.3453  247.299   98.105  231.568   96.830 15.73106 137.8427 
1 1 1   10   16    7 o  467.210   59.209   1.0586   0.2488   0.9328   0.3105   1.2842   0.4160  428.554   81.729  497.695   94.279 -69.14142 124.7723 
1 1 1   10   16    8 o  555.166   56.216   1.4857   0.2832   1.5120   0.3583   1.4418   0.4624  552.233   72.236  522.899   99.751 29.33429 123.1599 
1 1 1   10   16    9 o  355.535   79.841   0.6493   0.2548   0.7105   0.3253   0.5520   0.4099  365.731   95.593  325.301  112.505 40.42950 147.6325 
1 1 1   10   16   10 o  289.959   93.230   0.4309   0.2823   0.5790   0.3823   0.2532   0.4187  330.166  108.655  268.702  108.865 61.46365 153.8098 
1 1 1   10   16   11 o  351.302   89.082   0.6475   0.2884   0.7282   0.3621   0.5075   0.4769  367.221  102.984  320.579  119.949 46.64145 158.0930 
1 1 1   10   16   12 o  248.789   94.337   0.2593   0.2972   0.3055   0.3768   0.1833   0.4834  271.564  105.388  269.868  113.805 1.696075 155.1072 
1 1 1   10   16   13 o  412.607   97.440   0.9000   0.3640   0.7334   0.5189   1.0614   0.5108  367.475  126.610  435.094  122.433 -67.61890 176.1248 
1 1 1   10   16   14 o  736.638   61.828   2.6154   0.4152   4.2879   0.7508   1.8785   0.4984  923.053   89.516  606.784   92.156 316.2687 128.4745 
1 1 1   10   16   15 o  226.569   92.242   0.1387   0.3023   0.0628   0.4439   0.2044   0.4129  248.325  107.006  262.918  107.507 -14.59355 151.6841 
1 1 1   10   16   16 o  598.804   69.748   1.7596   0.3771   2.1471   0.5508   1.4178   0.5174  645.784   95.586  511.885  112.873 133.8984 147.9088 
1 1 1   10   16   17 o  394.309  127.680   0.8866   0.5288   0.8866   0.5288   0.0000   0.0000  394.309  127.680  ?   ?  0.000000 127.6802 
1 1 1   10   16   18 o  1298.14   61.452   8.2083   0.7341   9.5050   0.9027   5.6768   1.2613  1382.48   71.201  959.297  147.619 423.1801 163.8928 
1 1 1   10   16   19 o  242.570  101.554   0.1919   0.3804   0.3080   0.5148   0.0522   0.5647  278.819  117.505  255.636  114.906 23.18279 164.3499 
1 1 1   10   16   20 o  271.586  109.599   0.3819   0.4226  -0.0413   0.5972   0.8061   0.5980  242.954  112.541  341.430  132.691 -98.47623 173.9896 
1 1 1   10   16   21 o  391.022  168.522   1.8237   1.1012   1.8237   1.1012   0.0000   0.0000  391.022  168.522  ?   ?  0.000000 168.5216 
1 1 1   10   18    0 o  692.489   46.478   2.2559   0.2944   2.8446   0.4221   1.6981   0.4109  772.655   59.842  588.431   77.794 184.2242 98.14803 
1 1 1   10   18    1 o  1006.11   44.922   4.7403   0.4159   5.1599   0.6580   4.4611   0.5366  1035.13   69.487  967.422   60.590 67.70752 92.19361 
1 1 1   10   18    2 o  357.963   78.779   0.6453   0.2524   0.5449   0.3490   0.7556   0.3656  326.949  103.496  380.148  102.284 -53.19864 145.5107 
1 1 1   10   18    3 o  708.676   49.513   2.3781   0.3208   2.2715   0.4392   2.5002   0.4699  682.477   70.969  715.530   72.360 -33.05280 101.3535 
1 1 1   10   18    4 o  497.214   64.773   1.2059   0.2893   1.2268   0.3946   1.1816   0.4255  488.881   91.058  474.421  100.591 14.46039 135.6839 
1 1 1   10   18    5 o  325.998   88.347   0.5514   0.2716   0.8591   0.3781   0.2235   0.3904  401.185  102.159  260.304  105.244 140.8818 146.6721 
1 1 1   10   18    6 o  201.522   85.242   0.0571   0.2725   0.4324   0.3888  -0.3052   0.3820  299.039  108.935  187.190   87.795 111.8486 139.9104 
1 1 1   10   18    7 o  518.745   71.765   1.3382   0.3334   1.4143   0.4628   1.2562   0.4806  515.792  101.132  478.751  111.223 37.04129 150.3265 
1 1 1   10   18    8 o  147.104   70.724  -0.3675   0.2802  -0.1610   0.4048  -0.5574   0.3882  208.128   95.021  167.212   81.086 40.91583 124.9156 
1 1 1   10   18    9 o  162.594   74.659  -0.1461   0.2547  -0.2659   0.3134   0.0872   0.4373  168.986   79.341  246.783  106.280 -77.79745 132.6290 
1 1 1   10   18   10 o  736.729   60.844   2.6317   0.4088   2.5275   0.5613   2.7494   0.5965  702.388   88.835  731.464   90.557 -29.07599 126.8551 
1 1 1   10   18   11 o  1187.74   46.168   6.6653   0.5046   6.6861   0.6344   6.6294   0.8325  1180.33   58.410  1153.81   78.882 26.52087 98.15363 
1 1 1   10   18   12 o  616.092   85.444   1.9233   0.4713   1.4065   0.5539   3.2805   0.8976  502.464  121.194  763.571  132.558 -261.1074 179.6096 
1 1 1   10   18   13 o  460.750  132.670   1.2070   0.5930   2.0063   0.9420   0.6823   0.7632  563.986  168.539  374.844  148.623 189.1424 224.7089 
1 1 1   10   18   14 o  1208.03   51.943   6.9109   0.5774   7.1947   0.7333   6.4477   0.9366  1220.87   65.513  1131.65   90.712 89.21887 111.8952 
1 1 1   10   18   15 o  207.500   92.451  -0.0674   0.3570  -0.1068   0.4577  -0.0061   0.5706  229.254  103.209  264.991  117.537 -35.73703 156.4194 
1 1 1   10   18   16 o  606.580   94.149   1.9166   0.5085   2.1679   0.5751   1.0162   1.0885  640.417  100.927  416.457  172.844 223.9593 200.1534 
1 1 1   10   18   17 o  564.650   80.624   1.6369   0.4070   1.2893   0.5849   1.9632   0.5667  460.787  131.479  597.255  107.054 -136.4680 169.5505 
1 1 1   10   18   18 o  489.948   96.744   1.3283   0.4207   0.8018   0.5876   1.8819   0.6025  357.487  133.268  560.708  120.373 -203.2209 179.5828 
1 1 1   10   18   19 o  156.974   77.133  -0.6075   0.3865  -0.7305   0.5422  -0.4805   0.5510  186.503   91.586  203.038   98.009 -16.53505 134.1406 
1 1 1   10   18   20 o  527.721   98.207   1.6597   0.4593   0.9277   0.6127   2.5988   0.6940  344.589  134.209  619.381  126.059 -274.7919 184.1273 
1 1 1   10   20    0 o  534.366   62.885   1.3870   0.3033   1.7295   0.4283   1.0424   0.4296  587.750   81.368  441.260  106.923 146.4899 134.3623 
1 1 1   10   20    1 o  1017.94   45.766   4.8809   0.4287   4.9970   0.6099   4.7677   0.6026  1015.79   65.604  991.495   66.437 24.29419 93.36841 
1 1 1   10   20    2 o  567.206   63.182   1.5659   0.3242   1.8579   0.4624   1.2837   0.4546  605.646   85.338  490.975  103.857 114.6704 134.4204 
1 1 1   10   20    3 o  288.713   94.254   0.4229   0.2879   0.1926   0.4013   0.6672   0.4133  256.305  105.528  351.743  112.774 -95.43799 154.4481 
1 1 1   10   20    4 o  140.185   67.859  -0.3984   0.2689  -0.5243   0.3584  -0.2365   0.4065  160.694   77.923  200.855   92.972 -40.16194 121.3087 
1 1 1   10   20    5 o  220.052   90.937   0.1194   0.2994   0.3739   0.4293  -0.1219   0.4179  291.230  112.636  216.096   97.829 75.13397 149.1891 
1 1 1   10   20    6 o  1033.96   48.865   5.0717   0.4649   5.4504   0.6588   4.6961   0.6561  1055.08   68.226  974.165   73.743 80.91418 100.4636 
1 1 1   10   20    7 o  562.337   72.774   1.5757   0.3677   1.5295   0.5118   1.6251   0.5288  530.527  108.493  547.013  108.877 -16.48602 153.7039 
1 1 1   10   20    8 o  437.813  107.754   1.0496   0.4312   1.3692   0.5053   0.1940   0.8268  498.088  112.862  320.108  141.758 177.9802 181.1996 
1 1 1   10   20    9 o  582.691  116.666   1.8753   0.6037   1.4313   0.7726   2.5715   0.9675  476.720  154.321  632.859  164.588 -156.1392 225.6194 
1 1 1   10   20   10 o  275.937   96.750   0.3701   0.3037   0.4388   0.3764   0.2421   0.5138  298.770  107.419  283.307  118.265 15.46298 159.7666 
1 1 1   10   20   11 o  353.880   97.139   0.6617   0.3259   0.7415   0.4057   0.5165   0.5474  370.186  110.597  330.841  127.410 39.34503 168.7155 
1 1 1   10   20   12 o  314.281  125.358   0.4016   0.5459   1.3796   0.9254  -0.1206   0.6762  471.386  168.535  274.664  124.382 196.7228 209.4634 
1 1 1   10   20   13 f  486.379   89.444   1.2138   0.3856   1.2732   0.4949   1.1221   0.6149  484.491  113.077  441.686  137.024 42.80469 177.6575 
1 1 1   10   20   14 o  1258.14   52.047   7.5212   0.6026   7.4821   0.7650   7.5852   0.9779  1240.22   67.288  1226.58   87.214 13.64294 110.1538 
1 1 1   10   20   15 f  759.981   75.097   2.8823   0.5183   3.2301   0.5789   1.4765   1.1639  801.093   79.580  458.869  183.034 342.2244 199.5861 
1 1 1   10   20   16 o  406.660  109.163   0.9394   0.4170   1.6000   0.5369  -0.0660   0.6623  530.992  113.329  266.272  121.558 264.7200 166.1919 
1 1 1   10   20   17 o  184.302   86.832  -0.2731   0.3811   0.0091   0.4954  -0.6823   0.5965  238.943  107.493  204.636   99.528 34.30658 146.4945 
1 1 1   10   20   18 o  365.763  120.409   0.8812   0.4695   0.8016   0.5925   1.0157   0.7698  341.003  132.205  361.891  147.247 -20.88812 197.8886 
1 1 1   10   20   19 o  410.690  125.687   1.2126   0.5194   1.5486   0.6753   0.7259   0.8127  432.968  144.493  312.426  139.322 120.5414 200.7213 
1 1 1   10   22    0 o  678.289   61.438   2.2307   0.3793   2.5487   0.5208   1.8715   0.5535  712.636   80.851  592.868  105.320 119.7676 132.7745 
1 1 1   10   22    1 o  189.207   83.628  -0.0403   0.2864   0.3582   0.4024  -0.4494   0.4077  285.259  109.392  181.617   86.780 103.6420 139.6331 
1 1 1   10   22    2 o  293.611   97.199   0.4405   0.3058  -0.0365   0.3955   1.1501   0.4823  220.747   97.883  454.795  115.132 -234.0476 151.1172 
1 1 1   10   22    3 o  245.578  102.832   0.1466   0.3902   0.2399   0.4419  -0.1834   0.8311  270.237  110.939  290.438  133.909 -20.20160 173.8940 
1 1 1   10   22    4 o  679.733   78.311   2.3187   0.4809   2.8233   0.5694   1.0643   0.8977  745.871   84.457  418.291  162.576 327.5803 183.2045 
1 1 1   10   22    5 o  416.139   96.649   0.9235   0.3630   1.0779   0.5164   0.7726   0.5104  433.793  123.454  371.125  125.613 62.66794 176.1238 
1 1 1   10   22    6 o  462.657   88.770   1.1136   0.3642   1.1112   0.5037   1.1162   0.5271  442.227  120.498  440.661  124.500 1.565369 173.2628 
1 1 1   10   22    7 o  303.997  104.387   0.4742   0.3526   0.1426   0.4715   0.8948   0.5311  261.091  111.345  395.181  127.951 -134.0901 169.6143 
1 1 1   10   22    8 o  261.894  106.188   0.2334   0.3987   0.4336   0.6446   0.1094   0.5074  325.964  133.923  264.177  114.124 61.78705 175.9533 
1 1 1   10   22    9 o  426.081  119.436   1.0142   0.4871   0.8237   0.7766   1.1377   0.6254  389.378  151.245  440.508  138.444 -51.13037 205.0416 
1 1 1   10   22   10 o  294.230  117.542   0.3349   0.4807   0.2288   0.8518   0.3844   0.5823  332.111  145.596  315.507  128.184 16.60422 193.9832 
1 1 1   10   22   11 o  593.671  106.279   1.8642   0.5593   3.8367   1.0994   1.1755   0.6496  806.110  153.824  449.043  141.085 357.0674 208.7269 
1 1 1   10   22   12 o  964.889   73.477   4.5780   0.6475   5.1866   0.8024   3.4424   1.0961  1014.77   86.770  747.161  163.933 267.6036 185.4808 
1 1 1   10   22   13 o  874.496   60.392   3.6990   0.4830   3.6295   0.5965   3.8311   0.8230  853.638   76.763  847.192  108.026 6.446716 132.5221 
1 1 1   10   22   14 o  736.167   77.853   2.7359   0.5194   2.5363   0.5746   3.6269   1.2142  696.971   91.830  716.808  183.352 -19.83722 205.0625 
1 1 1   10   22   15 o  380.665  117.569   0.8571   0.4533   0.6438   0.5172   1.5633   0.9411  336.044  125.077  455.387  168.869 -119.3430 210.1448 
1 1 1   10   22   16 o  328.119  116.119   0.6467   0.4382   0.2893   0.5346   1.3789   0.7651  275.488  118.047  428.024  153.229 -152.5358 193.4272 
1 1 1   10   22   17 o  439.509  114.933   1.2329   0.4701   1.7134   0.6047   0.4989   0.7473  500.999  130.034  302.122  134.234 198.8773 186.8899 
1 1 1   10   22   18 o  282.378  116.492   0.5032   0.4902   0.8160   0.6235  -0.0028   0.7932  323.271  132.138  255.310  121.727 67.96121 179.6604 
1 1 1   10   24    0 o  311.038  115.433   0.4723   0.4399   1.0713   0.5091  -1.2940   0.8741  434.780  122.177  236.045  115.990 198.7346 168.4668 
1 1 1   10   24    1 o  495.860   89.628   1.2747   0.3939   1.1312   0.5585   1.4167   0.5556  441.843  129.196  500.943  121.737 -59.10019 177.5149 
1 1 1   10   24    2 o  532.000   84.515   1.4474   0.3999   1.5990   0.5594   1.2891   0.5718  536.869  116.583  471.980  128.302 64.88925 173.3575 
1 1 1   10   24    3 o  193.273   87.779  -0.1284   0.3397   0.0873   0.4883  -0.3310   0.4730  257.085  111.504  209.010   97.922 48.07530 148.3970 
1 1 1   10   24    4 o  654.508   70.316   2.1167   0.4168   1.9123   0.5536   2.3844   0.6335  598.345  104.341  667.314  106.764 -68.96875 149.2836 
1 1 1   10   24    5 o  510.705   91.381   1.3557   0.4137   1.5380   0.5600   1.1368   0.6137  525.136  118.680  438.382  137.037 86.75467 181.2851 
1 1 1   10   24    6 o  297.429  107.131   0.4335   0.3746   0.4389   0.5030   0.4268   0.5612  311.754  121.546  316.354  126.783 -4.600159 175.6342 
1 1 1   10   24    7 o  552.350  107.485   1.6331   0.5266   1.8951   0.9199   1.5054   0.6423  541.753  167.515  509.403  134.898 32.35043 215.0787 
1 1 1   10   24    8 o  195.729   91.817  -0.3313   0.4182   0.1446   0.6731  -0.6303   0.5336  298.837  130.258  202.663   97.477 96.17430 162.6926 
1 1 1   10   24    9 o  327.086  123.255   0.5153   0.5053   0.5357   0.9042   0.5060   0.6093  366.514  155.166  335.552  132.877 30.96167 204.2860 
1 1 1   10   24   10 o  670.164   84.218   2.2671   0.5079   2.7297   0.7358   1.8461   0.7019  709.441  116.775  564.476  136.606 144.9653 179.7152 
1 1 1   10   24   11 o  621.547  105.926   2.0660   0.5841   1.8318   0.6819   2.7115   1.1321  561.021  133.936  623.889  184.382 -62.86749 227.8940 
1 1 1   10   24   12 o  749.224   80.540   2.8435   0.5465   3.0317   0.7558   2.6372   0.7913  741.621  114.435  672.356  132.606 69.26538 175.1564 
1 1 1   10   24   13 o  1063.29   64.368   5.5695   0.6268   5.2049   0.6955   7.1477   1.4469  1016.04   74.915  1061.34  152.536 -45.29858 169.9398 
1 1 1   10   24   14 o  236.833  101.760   0.1307   0.3992   0.1620   0.4729   0.0532   0.7444  253.941  109.938  280.599  128.393 -26.65794 169.0303 
1 1 1   10   24   15 o  522.446  105.479   1.6037   0.4896   1.6423   0.6149   1.5368   0.8094  494.858  132.425  434.336  157.326 60.52170 205.6399 
1 1 1   10   24   16 o  284.935  116.051   0.4864   0.4788   1.0562   0.6092  -0.4337   0.7742  368.899  136.056  234.604  113.936 134.2951 177.4615 
1 1 1   10   24   17 o  279.941  138.051   0.1086   1.2752   0.1086   1.2752   0.0000   0.0000  279.941  138.051  ?   ?  0.000000 138.0515 
1 1 1   10   26    0 o  342.059  113.671   0.6227   0.4181   0.5678   0.5677   0.6877   0.6180  339.931  130.033  362.325  136.350 -22.39471 188.4139 
1 1 1   10   26    1 o  682.316   78.725   2.3262   0.4852   2.1228   0.6674   2.5543   0.7067  619.644  121.392  685.786  116.127 -66.14124 167.9924 
1 1 1   10   26    2 o  333.605  113.516   0.5846   0.4169   0.4944   0.5728   0.6862   0.6078  328.756  129.259  361.446  135.382 -32.68964 187.1796 
1 1 1   10   26    3 o  855.537   67.455   3.5693   0.5267   3.7897   0.7244   3.3222   0.7672  860.639   92.951  791.860  108.120 68.77930 142.5827 
1 1 1   10   26    4 o  437.323  112.245   1.0454   0.4540   0.3824   0.6440   1.7003   0.6400  322.005  133.238  548.064  129.046 -226.0587 185.4869 
1 1 1   10   26    5 o  158.050   78.735  -1.0528   0.4563   0.7094   0.8309  -1.8138   0.5460  379.810  153.539  151.201   76.675 228.6092 171.6193 
1 1 1   10   26    6 o  435.301  124.090   1.0653   0.5212   1.3896   0.8345   0.8578   0.6675  472.855  160.614  392.576  142.768 80.27908 214.8944 
1 1 1   10   26    7 o  281.293  116.224   0.2488   0.4890   1.0343   0.8619  -0.1241   0.5938  420.339  160.358  256.918  116.435 163.4219 198.1712 
1 1 1   10   26    8 o  230.987  106.130  -0.2123   0.5159  -0.1949   0.8645  -0.2219   0.6429  295.844  136.463  256.767  118.160 39.07779 180.5098 
1 1 1   10   26    9 o  249.674  106.245   0.1256   0.4276  -0.1035   0.5732   0.4131   0.6421  252.341  114.377  321.267  132.995 -68.92540 175.4130 
1 1 1   10   26   10 o  290.849  121.112   0.3027   0.5369   0.1235   0.6346   0.7542   1.0072  283.492  124.936  380.121  162.439 -96.62875 204.9275 
1 1 1   10   26   11 o  478.187  127.473   1.3792   0.5711   1.6548   0.6869   0.7625   1.0277  510.503  141.389  372.496  161.662 138.0074 214.7686 
1 1 1   10   26   12 o  227.256  105.417  -0.1823   0.5267  -0.1998   0.6098  -0.1308   1.0453  241.198  112.401  300.776  142.345 -59.57819 181.3729 
1 1 1   10   26   13 o  620.315  106.637   2.2379   0.5867   2.2803   0.7601   2.1755   0.9230  574.868  143.994  511.512  168.848 63.35599 221.9096 
1 1 1   10   26   14 o  300.353  122.711   0.5597   0.5374   0.6335   0.7444   0.4793   0.7766  312.902  136.665  299.483  134.672 13.41891 191.8697 
1 1 1   10   26   15 o  520.141  112.791   1.7634   0.5243   2.0480   0.6632   1.2894   0.8560  521.244  136.622  358.428  151.315 162.8160 203.8671 
1 1 1   10   26   16 o  292.899  126.852   0.6726   0.6301   0.2417   0.7343   1.8758   1.2271  257.269  121.002  349.355  161.648 -92.08667 201.9190 
1 1 1   10   28    0 o  584.369   93.062   1.7531   0.4836   1.7485   0.6667   1.7581   0.7026  555.501  132.326  551.974  138.542 3.526611 191.5834 
1 1 1   10   28    1 o  216.550  102.958  -0.5242   0.5593  -0.5428   1.0663  -0.5172   0.6570  305.529  144.342  238.708  112.934 66.82155 183.2724 
1 1 1   10   28    2 o  453.765  133.874   1.1861   0.5973   1.4960   1.0655   1.0441   0.7213  478.848  179.265  422.903  149.047 55.94443 233.1330 
1 1 1   10   28    3 o  1072.69   80.752   5.7289   0.7912   6.3658   1.4350   5.4506   0.9484  1034.55  155.552  1023.65  102.050 10.90100 186.0397 
1 1 1   10   28    4 o  280.583  126.799  -0.0684   0.6985   0.0000   0.0000  -0.0684   0.6985  ?   ?   280.583  126.799 0.000000 126.7989 
1 1 1   10   28    5 o  270.989  117.308   0.1194   0.5384   0.9134   0.9605  -0.2442   0.6500  403.729  164.401  255.696  118.079 148.0332 202.4111 
1 1 1   10   28    6 o  455.573  134.708   1.2352   0.6041   1.8846   0.9991   0.8608   0.7585  520.182  175.743  387.845  149.807 132.3369 230.9277 
1 1 1   10   28    7 o  761.889   86.135   2.9809   0.5933   3.0483   0.8251   2.9087   0.8536  728.590  127.735  700.646  137.305 27.94366 187.5335 
1 1 1   10   28    8 o  510.197  115.712   1.4861   0.5307   0.8338   0.6975   2.3833   0.8180  374.003  143.875  615.278  146.576 -241.2752 205.3888 
1 1 1   10   28    9 o  448.648  135.956   1.2840   0.6098   1.0746   0.6944   1.9897   1.2747  403.196  145.777  472.851  190.519 -69.65515 239.8923 
1 1 1   10   28   10 o  307.430  127.638   0.4747   0.5939   0.9981   0.7175  -0.6638   1.0582  381.061  146.086  273.238  132.815 107.8225 197.4359 
1 1 1   10   28   11 o  218.624  102.527  -0.2099   0.5208  -0.1044   0.7041  -0.3373   0.7737  255.558  119.647  249.317  119.244 6.241272 168.9219 
1 1 1   10   28   12 o  226.047  104.201  -0.0349   0.5029   0.0103   0.6593  -0.0978   0.7776  251.296  117.030  256.564  121.811 -5.268097 168.9195 
1 1 1   10   28   13 o  316.103  131.075   0.7687   0.6252   1.0156   0.8901   0.5284   0.8782  330.785  146.757  293.258  136.063 37.52740 200.1266 
1 1 1   10   28   14 o  396.797  144.119   1.4830   0.6799   1.6253   0.8117   1.1485   1.2445  385.850  153.183  311.332  149.516 74.51819 214.0562 
1 1 1   10   30    0 o  316.991  126.246   0.4478   0.5529   0.4757   0.8229   0.4249   0.7465  346.855  147.489  334.160  141.203 12.69443 204.1845 
1 1 1   10   30    1 o  535.607  127.200   1.6543   0.6176   1.3200   0.9027   1.9484   0.8468  448.727  165.590  549.911  158.595 -101.1837 229.2866 
1 1 1   10   30    2 o  323.061  129.807   0.4802   0.5900  -0.0130   0.9041   0.8460   0.7786  309.454  141.562  383.880  150.777 -74.42667 206.8176 
1 1 1   10   30    3 o  910.714   87.305   4.2686   0.7227   4.8966   1.1882   3.8999   0.9104  892.805  149.943  829.822  122.950 62.98346 193.9064 
1 1 1   10   30    4 o  304.048  122.335   0.4192   0.5248   1.0526   0.7270  -0.2701   0.7583  406.672  148.826  266.669  124.631 140.0029 194.1190 
1 1 1   10   30    5 o  377.832  131.183   0.8676   0.5576   0.7575   0.7681   0.9903   0.8107  361.614  147.107  391.191  153.789 -29.57687 212.8179 
1 1 1   10   30    6 f  195.571   94.279  -0.5414   0.5059   0.2116   0.6795  -1.4776   0.7577  289.967  128.456  200.870  100.287 89.09657 162.9676 
1 1 1   10   30    7 o  736.301  135.844   3.4266   0.8865   3.4266   0.8865   0.0000   0.0000  736.301  135.844  ?   ?  0.000000 135.8443 
1 1 1   10   30    8 o  466.122  162.381   1.7715   0.8547   1.7715   0.8547   0.0000   0.0000  466.122  162.381  ?   ?  0.000000 162.3814 
1 1 1   10   30    9 o  202.982   97.796  -0.4410   0.5425  -0.8691   0.7197   0.1224   0.8257  210.522  103.797  279.098  130.309 -68.57600 166.5958 
1 1 1   10   30   10 o  238.311  110.312   0.0224   0.5723  -0.0909   0.7562   0.1744   0.8756  250.701  119.343  276.636  130.724 -25.93559 177.0076 
1 1 1   10   30   11 o  356.548  136.948   1.0961   0.6313   2.0190   0.8717   0.0782   0.9155  436.309  162.381  263.898  127.118 172.4114 206.2202 
1 1 1   10   30   12 o  190.717   95.318  -0.9437   0.6927  -0.3438   1.2656  -1.2003   0.8276  255.865  128.023  198.975  100.105 56.89044 162.5143 
1 1 1   10   32    0 o  241.449  111.775  -0.1628   0.5878  -0.3275   0.6616   0.4541   1.2807  241.585  113.999  352.221  163.722 -110.6366 199.5014 
1 1 1   10   32    1 o  401.471  142.078   1.0827   0.6560   0.2498   0.7359   4.3081   1.4480  297.566  132.643  683.949  209.955 -386.3831 248.3454 
1 1 1   10   32    2 o  385.991  142.822   1.0160   0.6724   0.8025   0.7607   1.7790   1.4380  354.677  145.578  425.945  187.869 -71.26770 237.6718 
1 1 1   10   32    3 o  379.235  140.551   0.9929   0.6517   1.5315   0.7635  -0.4531   1.2510  451.966  153.634  295.812  143.932 156.1533 210.5224 
1 1 1   10   32    4 o  235.839  112.574  -0.3569   0.6825  -0.4706   0.7756   0.0332   1.4364  242.565  116.884  319.890  155.318 -77.32512 194.3850 
1 1 1   10   32    5 o  264.555  130.883  -0.8775   1.1788  -0.8775   1.1788   0.0000   0.0000  264.555  130.883  ?   ?  0.000000 130.8829 
1 1 1   10   32    6 o  331.412  157.263   0.8174   1.2927   0.8174   1.2927   0.0000   0.0000  331.412  157.263  ?   ?  0.000000 157.2631 
1 1 1   10   32    7 o  230.944  112.457  -0.4399   0.7678   0.2181   1.2949  -0.7967   0.9536  294.456  143.958  235.700  116.805 58.75616 185.3839 
1 1 1   10   32    8 o  262.148  120.606   0.2823   0.6692   0.1836   0.8893   0.4112   1.0161  267.862  128.037  284.804  136.332 -16.94177 187.0291 
1 1 1   10   32    9 o  211.083  102.275  -0.2911   0.6143   0.0890   0.8091  -0.8084   0.9439  250.859  120.496  223.439  111.612 27.42015 164.2454 
1 1 1   10   34    0 o  222.174  106.135  -0.2753   0.6091  -0.4253   0.7647  -0.0151   1.0076  234.363  113.685  277.228  133.494 -42.86519 175.3423 
1 1 1   10   34    1 o  321.187  136.003   0.7749   0.6949   0.6760   0.8335   1.0004   1.2583  310.716  139.639  330.900  156.471 -20.18414 209.7194 
1 1 1   10   34    2 o  230.106  110.666  -0.2608   0.6874   0.2606   0.8547  -1.2159   1.1567  276.941  130.342  239.554  120.221 37.38721 177.3192 
1 1 1   10   34    3 o  377.698  147.644   1.3489   0.7436   1.1926   0.9020   1.6805   1.3139  342.561  150.010  349.935  163.708 -7.373566 222.0431 
1 1 1   10   34    4 o  234.567  113.425  -0.1916   0.7461   0.2933   0.9185  -1.1321   1.2792  272.459  130.204  242.840  122.461 29.61899 178.7448 
1 1 1   10   34    5 o  306.694  132.323   0.8307   0.6804   1.5563   0.9086  -0.0960   1.0268  357.950  153.654  254.173  125.058 103.7769 198.1140 
1 1 1   10   34    6 o  274.484  126.229   0.5645   0.7320  -0.2239   0.8490   2.8487   1.4452  233.655  114.713  362.385  170.218 -128.7301 205.2635 
1 1 1   10   34    7 o  283.169  141.437   1.0216   1.5144   1.0216   1.5144   0.0000   0.0000  283.169  141.437  ?   ?  0.000000 141.4368 
1 1 1   10   36    0 o  339.955  157.605   1.9373   1.1749   0.0000   0.0000   1.9373   1.1749  ?   ?   339.955  157.605 0.000000 157.6054 
1 1 1   11    1    0 f  672.358   34.541   2.0892   0.2130   1.9907   0.2999   2.1894   0.3025  654.617   50.164  686.940   48.168 -32.32312 69.54610 
1 1 1   11    1    1 o  1845.44   29.427   15.689   0.4997   15.648   0.7072   15.731   0.7062  1841.77   41.729  1846.67   41.558 -4.900146 58.89303 
1 1 1   11    1    2 o  1461.11   29.984   9.8346   0.4031   9.1388   0.5560   10.606   0.5853  1407.53   42.930  1516.38   41.948 -108.8500 60.02236 
1 1 1   11    1    3 o  589.449   34.880   1.6067   0.1883   1.8683   0.2754   1.3768   0.2582  634.538   47.511  543.596   52.256 90.94250 70.62542 
1 1 1   11    1    4 o  1142.25   30.979   6.0102   0.3256   6.0335   0.4633   5.9874   0.4577  1143.75   44.025  1139.40   43.652 4.351318 61.99798 
1 1 1   11    1    5 o  1060.84   32.472   5.1852   0.3170   5.2329   0.4433   5.1352   0.4534  1065.00   45.234  1054.91   46.714 10.09082 65.02523 
1 1 1   11    1    6 o  1294.57   33.187   7.7249   0.3953   7.4784   0.5527   7.9831   0.5656  1272.54   47.205  1314.82   46.752 -42.27966 66.43804 
1 1 1   11    1    7 o  229.126   70.924   0.2438   0.1648   0.0812   0.2301   0.4153   0.2363  199.569   80.757  294.081   83.447 -94.51207 116.1249 
1 1 1   11    1    8 o  1235.09   51.678   7.0890   0.5873   6.7920   0.8199   7.4019   0.8417  1200.31   74.605  1253.74   73.277 -53.43262 104.5727 
1 1 1   11    1    9 o  778.252   44.540   2.8251   0.3176   2.4137   0.4402   3.2718   0.4587  712.555   67.968  833.191   60.242 -120.6359 90.82267 
1 1 1   11    1   10 o  168.016   75.522  -0.1002   0.2439  -0.2404   0.2983   0.1826   0.4238  169.922   78.996  267.176  109.042 -97.25365 134.6491 
1 1 1   11    1   11 o  540.406   64.596   1.4109   0.3148   1.3437   0.4748   1.4637   0.4206  508.616  104.934  540.333   87.598 -31.71680 136.6911 
1 1 1   11    1   12 o  731.590   48.612   2.5345   0.3254   2.8450   0.4319   2.1271   0.4948  768.850   61.567  651.489   84.533 117.3605 104.5767 
1 1 1   11    1   13 f  1877.24   36.896   16.472   0.6373   17.731   0.9016   15.215   0.9010  1934.24   50.658  1787.33   54.786 146.9083 74.61698 
1 1 1   11    1   14 o  866.255   45.277   3.5464   0.3596   3.1939   0.4897   3.9592   0.5299  809.784   66.300  903.623   64.148 -93.83923 92.25382 
1 1 1   11    1   15 o  383.780   82.015   0.7550   0.2808   0.8595   0.4153   0.6669   0.3812  397.215  109.911  352.571  107.640 44.64465 153.8401 
1 1 1   11    1   16 o  215.940   92.494   0.0451   0.3280   0.4608   0.6225  -0.1146   0.3858  330.884  133.200  209.746   94.564 121.1387 163.3541 
1 1 1   11    1   17 o  223.389   94.510   0.0722   0.3351   0.9043   0.6748  -0.2001   0.3861  405.521  144.034  200.903   92.124 204.6183 170.9757 
1 1 1   11    1   18 o  374.137   95.114   0.7266   0.3282   0.4012   0.4589   1.0670   0.4694  305.719  116.919  445.731  114.004 -140.0120 163.2997 
1 1 1   11    1   19 f  585.188   87.984   1.7321   0.4591   1.2236   0.6255   2.3261   0.6760  462.894  137.110  660.013  115.522 -197.1192 179.2893 
1 1 1   11    1   20 o  738.130   89.642   2.7835   0.5964   2.4778   0.7089   3.5237   1.1031  671.850  119.023  751.927  164.041 -80.07660 202.6714 
1 1 1   11    1   21 o  673.032   87.320   2.3561   0.5280   2.2443   0.6136   2.6749   1.0365  637.857  108.429  611.908  175.171 25.94940 206.0141 
1 1 1   11    1   22 o  811.085   87.696   3.5214   0.6441   2.5755   0.8609   4.7241   0.9707  606.036  154.044  886.087  122.320 -280.0508 196.7018 
1 1 1   11    1   23 o  219.059   98.815   0.0210   0.4219  -0.3910   0.5901   0.4521   0.6036  214.095  102.856  290.590  125.001 -76.49471 161.8783 
1 1 1   11    3    0 f  1135.87   30.170   5.9441   0.3153   6.0282   0.4466   5.8604   0.4452  1143.11   42.462  1127.06   42.932 16.05432 60.38402 
1 1 1   11    3    1 o  1526.23   29.385   10.730   0.4127   11.004   0.5903   10.469   0.5771  1544.62   41.533  1506.54   41.631 38.08081 58.80625 
1 1 1   11    3    2 o  324.563   44.117   0.4948   0.1283   0.6745   0.1975   0.3636   0.1688  377.594   58.764  274.842   67.297 102.7520 89.34304 
1 1 1   11    3    3 f  840.757   31.513   3.2563   0.2438   3.2689   0.3471   3.2440   0.3425  840.634   45.041  837.458   44.602 3.176208 63.38810 
1 1 1   11    3    4 o  725.706   33.061   2.4264   0.2208   2.2011   0.3001   2.6924   0.3260  689.034   47.617  762.501   46.687 -73.46704 66.68632 
1 1 1   11    3    5 o  599.409   37.199   1.6627   0.2042   1.5477   0.2885   1.7781   0.2890  576.147   55.081  618.405   51.249 -42.25812 75.23552 
1 1 1   11    3    6 o  1313.08   33.853   7.9494   0.4090   8.0322   0.5838   7.8696   0.5732  1318.47   48.121  1305.11   47.733 13.36377 67.77936 
1 1 1   11    3    7 o  762.876   44.016   2.7006   0.3077   2.9069   0.5283   2.5947   0.3785  785.705   73.948  745.832   55.543 39.87292 92.48435 
1 1 1   11    3    8 o  1044.73   38.231   5.0516   0.3675   5.2011   0.5249   4.9079   0.5147  1055.57   54.227  1025.15   54.764 30.41931 77.06919 
1 1 1   11    3    9 o  1324.24   44.426   8.1579   0.5413   8.2561   0.6668   7.9679   0.9271  1328.49   54.549  1291.68   78.372 36.80286 95.48714 
1 1 1   11    3   10 o  202.746   80.194   0.1199   0.2217   0.0506   0.2601   0.3039   0.4239  199.992   83.865  287.556  111.729 -87.56406 139.7021 
1 1 1   11    3   11 o  645.327   49.934   1.9709   0.2942   2.0456   0.3922   1.8747   0.4449  650.726   66.432  615.996   80.410 34.72974 104.3025 
1 1 1   11    3   12 o  648.049   67.932   2.0474   0.3991   2.4398   0.7034   1.8612   0.4846  673.434  117.806  605.331   89.715 68.10291 148.0782 
1 1 1   11    3   13 o  383.508   94.328   0.7740   0.3306   0.4641   0.5257   0.9767   0.4251  319.956  124.396  424.398  108.461 -104.4417 165.0402 
1 1 1   11    3   14 o  739.128   54.087   2.6143   0.3653   2.1302   0.4678   3.3711   0.5849  652.326   79.578  823.363   78.131 -171.0369 111.5219 
1 1 1   11    3   15 o  447.397   74.424   1.0025   0.2956   1.3722   0.4218   0.6454   0.4145  514.793   92.433  347.333  113.075 167.4601 146.0473 
1 1 1   11    3   16 o  542.554   64.040   1.4341   0.3136   1.6414   0.4552   1.2471   0.4325  566.407   90.378  486.928   99.884 79.47937 134.7029 
1 1 1   11    3   17 o  534.778   67.659   1.3962   0.3255   1.4961   0.4637   1.2991   0.4570  538.551   97.140  497.682  103.186 40.86890 141.7164 
1 1 1   11    3   18 o  174.267   80.010  -0.1739   0.2925  -0.0833   0.4344  -0.2490   0.3955  228.273  101.822  198.838   91.922 29.43489 137.1763 
1 1 1   11    3   19 f  1453.00   50.942   9.9844   0.6811   9.6606   1.0629   10.210   0.8872  1396.20   83.110  1455.75   66.229 -59.54810 106.2714 
1 1 1   11    3   20 o  828.506   65.906   3.3492   0.4983   2.4878   0.7118   4.1771   0.6978  671.742  119.535  909.871   84.303 -238.1298 146.2721 
1 1 1   11    3   21 o  799.834   63.365   3.1483   0.4625   2.9381   0.6057   3.4423   0.7164  749.027   89.665  800.676   99.371 -51.64862 133.8444 
1 1 1   11    3   22 o  256.318  104.010   0.2837   0.3828   0.4486   0.5624   0.1412   0.5226  299.120  124.199  256.283  113.138 42.83710 168.0050 
1 1 1   11    3   23 o  260.339  105.650   0.3440   0.3950   0.4130   0.6098   0.2940   0.5186  285.342  124.182  264.446  114.804 20.89618 169.1189 
1 1 1   11    5    0 o  937.684   37.205   4.0529   0.3210   4.1834   0.3723   3.6748   0.6336  952.395   42.487  886.643   78.471 65.75195 89.23428 
1 1 1   11    5    1 o  1926.11   34.414   17.095   0.6099   17.054   0.7063   17.216   1.2095  1923.27   39.910  1928.57   68.159 -5.301392 78.98389 
1 1 1   11    5    2 o  883.756   30.391   3.5976   0.2471   3.8304   0.3589   3.3876   0.3408  911.381   42.793  855.960   43.416 55.42120 60.96077 
1 1 1   11    5    3 o  285.502   50.631   0.3874   0.1281   0.3102   0.1792   0.4682   0.1833  255.675   72.710  312.326   65.865 -56.65063 98.10654 
1 1 1   11    5    4 o  1124.65   31.495   5.8271   0.3259   5.8261   0.4573   5.8281   0.4647  1123.82   44.219  1123.97   44.929 -0.1486816 63.03955 
1 1 1   11    5    5 o  1141.52   37.133   6.0085   0.3900   6.2595   0.6504   5.8676   0.4874  1161.36   61.077  1127.31   46.988 34.05261 77.06007 
1 1 1   11    5    6 o  281.576   70.672   0.3832   0.1828   0.2026   0.2711   0.5338   0.2476  240.457   90.342  331.689   81.674 -91.23145 121.7880 
1 1 1   11    5    7 o  321.197   72.517   0.5015   0.2093   0.5976   0.3758   0.4583   0.2519  352.018  106.746  307.405   85.791 44.61331 136.9486 
1 1 1   11    5    8 o  845.248   47.674   3.3329   0.3693   3.9446   0.6843   3.0817   0.4386  907.776   82.839  809.582   59.292 98.19348 101.8724 
1 1 1   11    5    9 o  519.490   58.866   1.2834   0.2764   1.6703   0.3352   0.4618   0.4886  592.352   62.446  328.619  121.710 263.7321 136.7946 
1 1 1   11    5   10 o  518.392   60.610   1.2882   0.2837   1.1533   0.3271   1.6979   0.5698  484.680   75.817  571.780  112.316 -87.09961 135.5108 
1 1 1   11    5   11 o  297.750   82.308   0.4490   0.2330   0.3642   0.3182   0.5469   0.3422  279.650   98.957  326.598  102.367 -46.94824 142.3775 
1 1 1   11    5   12 o  1117.38   46.835   5.8864   0.4815   5.7977   0.6940   5.9687   0.6687  1091.40   69.465  1110.60   65.729 -19.19568 95.63287 
1 1 1   11    5   13 o  635.678   51.025   1.9282   0.2959   1.8323   0.4096   2.0329   0.4281  607.375   74.868  640.656   73.979 -33.28088 105.2529 
1 1 1   11    5   14 o  1065.92   42.254   5.3403   0.4144   6.0059   0.5980   4.7251   0.5749  1118.44   58.307  987.797   63.587 130.6412 86.27293 
1 1 1   11    5   15 o  575.797   60.350   1.6066   0.3150   1.5073   0.4421   1.7090   0.4489  540.156   92.260  579.236   86.909 -39.07965 126.7485 
1 1 1   11    5   16 o  612.036   57.950   1.8024   0.3225   2.2155   0.4676   1.4277   0.4453  668.209   77.488  524.733   95.755 143.4766 123.1802 
1 1 1   11    5   17 o  300.290   92.842   0.4566   0.2826   0.3932   0.3885   0.5278   0.4117  294.480  108.641  325.127  112.735 -30.64737 156.5635 
1 1 1   11    5   18 o  940.084   58.782   4.2214   0.5059   4.2573   0.8023   4.1977   0.6519  916.384   96.607  925.250   77.271 -8.865784 123.7084 
1 1 1   11    5   19 o  343.912   98.048   0.6209   0.3254   0.3772   0.4559   0.8739   0.4646  298.576  115.912  399.411  118.138 -100.8355 165.5058 
1 1 1   11    5   20 o  606.655   72.271   1.8302   0.3955   1.1777   0.5643   2.4600   0.5544  449.218  129.448  691.752   89.181 -242.5343 157.1937 
1 1 1   11    5   21 o  353.453  111.654   0.7163   0.4063   0.6163   0.5101   0.8899   0.6722  332.205  124.099  377.951  142.208 -45.74609 188.7419 
1 1 1   11    5   22 o  256.056  103.738   0.2926   0.3802   0.3580   0.5553   0.2350   0.5216  284.244  121.019  265.338  115.164 18.90536 167.0575 
1 1 1   11    5   23 o  348.275  137.277   0.9273   0.6475   0.9008   1.0858   0.9420   0.8067  333.726  153.570  341.878  145.715 -8.151855 211.6991 
1 1 1   11    7    0 o  2166.90   49.909   21.669   0.9951   21.920   1.4212   21.427   1.3939  2176.04   70.976  2151.55   70.407 24.48975 99.97433 
1 1 1   11    7    1 o  1982.01   50.526   18.131   0.9215   17.482   1.2750   18.840   1.3333  1943.19   71.304  2017.18   71.834 -73.98730 101.2146 
1 1 1   11    7    2 o  732.213   39.242   2.4786   0.2634   2.3194   0.2891   3.2583   0.6399  707.730   44.617  833.592   84.592 -125.8613 95.63700 
1 1 1   11    7    3 o  1737.31   41.865   13.920   0.6693   0.0000   0.0000   13.920   0.6693  ?   ?   1737.31   41.865 0.000000 41.86538 
1 1 1   11    7    4 o  907.391   39.082   3.7973   0.3263   4.0455   0.5779   3.6812   0.3954  931.880   67.856  891.530   48.378 40.35004 83.33593 
1 1 1   11    7    5 o  586.248   36.012   1.5915   0.1933   1.7036   0.2556   1.4418   0.2955  605.400   46.241  554.730   58.778 50.66962 74.78734 
1 1 1   11    7    6 o  340.224   50.878   0.5482   0.1544   0.2950   0.2003   0.9185   0.2423  251.480   78.245  440.237   61.481 -188.7571 99.50951 
1 1 1   11    7    7 o  364.667   53.251   0.6317   0.1734   0.4163   0.2237   0.9562   0.2745  292.215   80.584  446.478   69.054 -154.2630 106.1233 
1 1 1   11    7    8 o  891.355   36.992   3.6836   0.3034   3.7175   0.3946   3.6347   0.4745  891.795   48.272  878.368   59.046 13.42700 76.26691 
1 1 1   11    7    9 o  1398.22   31.712   9.0598   0.4080   8.9446   0.5746   9.1769   0.5795  1384.22   45.109  1402.17   44.913 -17.95251 63.65490 
1 1 1   11    7   10 o  636.033   53.149   1.9206   0.3082   1.9278   0.4225   1.9124   0.4506  628.099   74.566  622.604   80.532 5.495789 109.7515 
1 1 1   11    7   11 o  383.937   69.360   0.7313   0.2360   0.8032   0.3477   0.6700   0.3214  391.555   97.007  358.098   95.706 33.45697 136.2719 
1 1 1   11    7   12 o  794.512   53.391   3.0137   0.3881   2.6412   0.5554   3.3692   0.5425  723.853   84.998  828.377   71.882 -104.5240 111.3179 
1 1 1   11    7   13 o  321.198   84.200   0.5339   0.2519   0.9497   0.3598   0.1341   0.3528  425.052   94.439  236.266   98.258 188.7867 136.2845 
1 1 1   11    7   14 o  473.744   67.411   1.1074   0.2856   1.3563   0.4194   0.8922   0.3899  511.238   92.562  407.016  103.792 104.2221 139.0701 
1 1 1   11    7   15 o  166.384   75.548  -0.1142   0.2515  -0.2618   0.3607   0.0254   0.3507  185.377   86.409  218.617   94.660 -33.23969 128.1683 
1 1 1   11    7   16 o  1505.91   41.535   10.631   0.5755   10.763   0.8100   10.497   0.8180  1501.39   58.629  1481.46   60.005 19.92993 83.89258 
1 1 1   11    7   17 o  207.919   88.303   0.0471   0.2943  -0.1072   0.4027   0.2241   0.4313  216.758   97.261  270.580  110.168 -53.82234 146.9583 
1 1 1   11    7   18 o  1008.08   58.756   4.8567   0.5427   4.9553   0.8574   4.7908   0.7009  989.081   95.390  987.581   77.759 1.500732 123.0682 
1 1 1   11    7   19 o  721.533   64.517   2.5285   0.4238   2.5855   0.6198   2.4785   0.5808  706.636   97.957  695.316   93.124 11.32074 135.1581 
1 1 1   11    7   20 o  224.180   96.677   0.0582   0.3629   0.1960   0.4832  -0.1199   0.5495  268.555  113.547  244.507  111.274 24.04776 158.9802 
1 1 1   11    7   21 o  806.257   76.222   3.3269   0.5588   4.4080   0.8498   2.5033   0.7417  889.572  105.893  640.795  130.225 248.7772 167.8450 
1 1 1   11    7   22 o  244.940  105.856   0.1849   0.4369  -0.8039   0.5749   1.5365   0.6722  189.800   93.423  458.421  143.435 -268.6212 171.1767 
1 1 1   11    9    0 o  1074.68   85.028   5.3956   0.8340   0.0000   0.0000   5.3956   0.8340  ?   ?   1074.68   85.028 0.000000 85.02791 
1 1 1   11    9    1 o  1697.23   75.435   13.356   1.1781   0.0000   0.0000   13.356   1.1781  ?   ?   1697.23   75.435 0.000000 75.43452 
1 1 1   11    9    2 o  673.226   47.075   2.1023   0.2898   1.9080   0.3257   2.8412   0.6351  640.084   55.851  775.987   90.653 -135.9031 106.4767 
1 1 1   11    9    3 o  1198.98   24.173   6.6209   0.2667   6.4807   0.3690   6.7741   0.3859  1185.63   33.826  1212.12   34.595 -26.49207 48.38364 
1 1 1   11    9    4 o  922.589   27.102   3.9227   0.2301   3.7440   0.3172   4.1212   0.3343  900.576   38.272  944.838   38.449 -44.26184 54.25032 
1 1 1   11    9    5 o  736.708   30.684   2.5043   0.2080   2.2822   0.2925   2.7315   0.2958  700.600   45.623  767.281   42.061 -66.68176 62.05363 
1 1 1   11    9    6 o  388.078   49.568   0.7111   0.1730   0.8418   0.2403   0.5706   0.2491  419.531   64.307  340.916   80.669 78.61523 103.1642 
1 1 1   11    9    7 o  652.468   39.037   1.9819   0.2333   1.7419   0.3004   2.3467   0.3704  608.128   54.249  705.600   57.545 -97.47186 79.08436 
1 1 1   11    9    8 o  426.228   50.802   0.8620   0.1953   0.9998   0.2787   0.7290   0.2738  454.210   68.847  383.182   80.223 71.02844 105.7147 
1 1 1   11    9    9 f  1171.41   33.696   6.3742   0.3632   5.7429   0.4980   7.0918   0.5309  1106.04   48.930  1230.08   46.904 -124.0455 67.78010 
1 1 1   11    9   10 o  1105.35   44.066   5.7322   0.4482   5.2867   0.6153   6.2357   0.6542  1048.59   64.075  1140.21   62.593 -91.61987 89.57384 
1 1 1   11    9   11 o  401.482   63.659   0.7922   0.2273   1.1214   0.3339   0.5079   0.3103  471.626   79.794  313.221   97.373 158.4045 125.8908 
1 1 1   11    9   12 o  279.812   85.719   0.3985   0.2415   0.3709   0.3358   0.4280   0.3475  280.138  101.364  294.362  103.490 -14.22418 144.8609 
1 1 1   11    9   13 o  424.278   84.294   0.9249   0.3175   1.0630   0.4924   0.8267   0.4153  435.765  119.313  388.649  110.762 47.11618 162.7995 
1 1 1   11    9   14 o  393.956   77.033   0.7870   0.2692   0.7581   0.3772   0.8171   0.3844  374.732  105.129  388.897  104.974 -14.16470 148.5657 
1 1 1   11    9   15 o  283.369   94.211   0.4006   0.2872   0.1338   0.3872   0.7268   0.4281  244.582  102.432  366.317  114.440 -121.7353 153.5866 
1 1 1   11    9   16 o  994.588   48.348   4.6637   0.4425   5.1413   0.6316   4.2034   0.6201  1031.09   66.934  927.470   73.252 103.6154 99.22681 
1 1 1   11    9   17 o  564.934   77.214   1.5799   0.3909   1.5846   0.6397   1.5772   0.4938  532.975  131.289  551.333  101.058 -18.35876 165.6785 
1 1 1   11    9   18 f  906.051   55.590   3.9170   0.4612   4.2320   0.6675   3.6294   0.6380  925.336   79.162  854.260   82.177 71.07544 114.1034 
1 1 1   11    9   19 o  273.873  102.426   0.3387   0.3477   0.5108   0.4927   0.1681   0.4906  322.744  121.688  268.862  114.089 53.88181 166.8060 
1 1 1   11    9   20 o  599.394   91.461   1.8948   0.4885   2.1452   0.6208   1.4880   0.7914  618.554  113.251  469.266  156.414 149.2873 193.1093 
1 1 1   11    9   21 o  515.281  108.118   1.5380   0.4963   2.0548   0.6996   1.0144   0.7042  563.157  136.436  382.749  145.197 180.4082 199.2413 
1 1 1   11    9   22 o  321.441  113.570   0.6574   0.4190   0.2084   0.5908   1.1118   0.5944  263.202  117.975  388.715  135.414 -125.5123 179.5968 
1 1 1   11   11    0 o  911.816   36.085   3.8340   0.3028   3.8419   0.3299   3.7919   0.7628  912.556   39.283  896.204   93.897 16.35242 101.7829 
1 1 1   11   11    1 o  743.773   38.282   2.5593   0.2611   2.7132   0.2877   1.8412   0.6216  765.565   40.994  615.588  113.926 149.9772 121.0774 
1 1 1   11   11    2 o  1942.57   36.342   17.416   0.6496   17.761   0.7385   16.234   1.3658  1960.93   40.927  1864.56   79.606 96.36462 89.51075 
1 1 1   11   11    3 o  718.019   30.528   2.3783   0.2017   2.3748   0.2517   2.3844   0.3372  715.939   38.347  715.384   51.565 0.5553589 64.26042 
1 1 1   11   11    4 o  1130.30   27.644   5.8944   0.2875   5.9972   0.3871   5.7678   0.4294  1138.88   36.938  1116.10   41.813 22.77869 55.79195 
1 1 1   11   11    5 o  265.596   60.787   0.3430   0.1453   0.3881   0.2068   0.2989   0.2043  282.009   77.369  252.037   79.112 29.97206 110.6554 
1 1 1   11   11    6 f  261.802   65.176   0.3355   0.1564   0.2507   0.2273   0.4116   0.2155  240.038   83.733  289.205   78.831 -49.16669 115.0026 
1 1 1   11   11    7 o  890.343   33.471   3.6758   0.2742   3.8961   0.3940   3.4688   0.3819  911.989   47.108  859.943   48.462 52.04651 67.58530 
1 1 1   11   11    8 o  560.606   43.214   1.4772   0.2212   1.9986   0.3307   1.0551   0.2976  648.276   55.991  464.036   72.020 184.2403 91.22479 
1 1 1   11   11    9 o  932.777   36.677   4.0571   0.3148   3.8456   0.4447   4.2695   0.4457  899.716   53.968  949.634   51.192 -49.91797 74.38530 
1 1 1   11   11   10 o  345.537   84.486   0.6153   0.2664   1.0111   0.3976   0.2930   0.3588  436.809  100.953  267.844  103.150 168.9652 144.3307 
1 1 1   11   11   11 o  432.751   63.560   0.9200   0.2456   1.5604   0.3785   0.4546   0.3227  559.318   75.469  298.884   99.883 260.4335 125.1882 
1 1 1   11   11   12 o  305.164   82.907   0.4809   0.2389   0.6435   0.3503   0.3396   0.3266  346.754  102.580  271.530   99.692 75.22424 143.0430 
1 1 1   11   11   13 o  303.059   98.644   0.4736   0.3154   0.0434   0.4612   0.8518   0.4324  246.919  107.717  393.040  113.328 -146.1211 156.3527 
1 1 1   11   11   14 o  151.898   70.542  -0.1773   0.2369  -0.1029   0.3407  -0.2470   0.3296  197.590   88.991  176.949   82.521 20.64136 121.3633 
1 1 1   11   11   15 o  308.332   92.498   0.4898   0.2833   0.5034   0.4016   0.4764   0.3997  317.032  111.264  311.137  110.817 5.895142 157.0355 
1 1 1   11   11   16 o  436.803   92.442   0.9839   0.3600   0.8041   0.5723   1.1016   0.4630  386.327  132.975  452.941  111.775 -66.61374 173.7129 
1 1 1   11   11   17 o  526.206   71.224   1.3619   0.3360   1.4113   0.4645   1.3076   0.4867  520.216  100.670  495.021  109.723 25.19489 148.9079 
1 1 1   11   11   18 o  898.626   56.153   3.8667   0.4620   3.4961   0.6473   4.2516   0.6596  833.158   85.647  925.919   78.152 -92.76105 115.9442 
1 1 1   11   11   19 o  259.392  106.812   0.2177   0.4112   0.6931   0.5329  -0.4816   0.6463  353.651  127.728  234.675  111.312 118.9759 169.4250 
1 1 1   11   11   20 f  254.386  103.494   0.2502   0.3802   0.3757   0.5445   0.1308   0.5312  294.615  122.258  261.774  114.864 32.84180 167.7516 
1 1 1   11   11   21 o  335.393  123.863   0.7206   0.5053   0.8337   0.6912   0.5909   0.7404  347.643  140.217  319.586  137.959 28.05710 196.7067 
1 1 1   11   11   22 o  414.342  129.656   1.2447   0.5492   0.4651   0.7325   2.2458   0.8301  291.954  131.079  510.363  159.342 -218.4086 206.3292 
1 1 1   11   13    0 o  550.394   35.336   1.4049   0.1780   1.3854   0.2431   1.4274   0.2614  544.546   49.045  552.273   52.046 -7.726379 71.51420 
1 1 1   11   13    1 o  1638.25   31.873   12.392   0.4805   12.225   0.6267   12.629   0.7484  1625.14   41.906  1649.82   49.300 -24.68262 64.70372 
1 1 1   11   13    2 o  938.722   35.556   4.0748   0.3071   4.2075   0.4023   3.8892   0.4755  952.294   45.908  911.806   56.964 40.48773 73.16038 
1 1 1   11   13    3 o  854.568   39.640   3.3850   0.3117   3.1325   0.3995   3.7777   0.4983  817.953   53.378  896.355   60.770 -78.40253 80.88433 
1 1 1   11   13    4 f  264.322   66.569   0.3419   0.1618   0.5094   0.2022   0.0439   0.2698  322.452   70.156  203.208   85.321 119.2435 110.4602 
1 1 1   11   13    5 o  1171.87   32.420   6.3609   0.3496   6.3905   0.4408   6.3107   0.5739  1172.27   40.866  1160.44   53.742 11.83313 67.51516 
1 1 1   11   13    6 o  190.970   73.279   0.1242   0.1806   0.0694   0.2193   0.2400   0.3186  190.020   78.099  254.174   97.366 -64.15384 124.8184 
1 1 1   11   13    7 o  814.919   35.601   3.0902   0.2670   3.1291   0.3804   3.0526   0.3748  813.703   51.062  803.708   50.937 9.994202 72.12425 
1 1 1   11   13    8 o  571.609   44.794   1.5433   0.2337   1.8798   0.3427   1.2505   0.3196  624.958   60.335  504.270   70.831 120.6884 93.04514 
1 1 1   11   13    9 o  523.393   51.063   1.3094   0.2428   1.2961   0.3451   1.3224   0.3416  509.635   75.916  515.786   74.104 -6.151154 106.0881 
1 1 1   11   13   10 o  118.710   58.443  -0.4492   0.2254  -0.6077   0.2848  -0.1837   0.3686  129.852   64.258  195.937   89.911 -66.08528 110.5122 
1 1 1   11   13   11 o  216.091   83.346   0.1751   0.2345   0.4106   0.3244  -0.0828   0.3395  287.681  100.046  199.493   89.425 88.18805 134.1868 
1 1 1   11   13   12 f  233.799   87.210   0.2315   0.2517   0.2104   0.3452   0.2555   0.3679  247.758   99.382  260.490  103.217 -12.73131 143.2844 
1 1 1   11   13   13 o  1418.17   49.221   9.5312   0.6423   9.2615   0.9240   9.7834   0.8935  1372.08   73.451  1417.58   68.499 -45.50305 100.4351 
1 1 1   11   13   14 o  148.469   70.198  -0.2595   0.2531  -0.1294   0.3583  -0.3891   0.3576  199.870   90.526  172.207   82.004 27.66284 122.1456 
1 1 1   11   13   15 o  993.162   54.128   4.6917   0.4928   5.1080   0.8214   4.4575   0.6160  1008.79   89.411  957.251   70.426 51.54248 113.8169 
1 1 1   11   13   16 f  557.834   70.239   1.5254   0.3525   1.9197   0.5132   1.1730   0.4851  613.044   93.977  465.886  114.075 147.1582 147.7995 
1 1 1   11   13   17 o  846.425   56.170   3.4281   0.4350   3.1836   0.6085   3.6838   0.6221  796.810   84.266  861.495   79.373 -64.68500 115.7617 
1 1 1   11   13   18 o  838.571   66.759   3.4437   0.5109   3.0510   0.6349   4.1648   0.8603  769.204   91.499  881.868  108.297 -112.6640 141.7760 
1 1 1   11   13   19 o  211.097   94.379  -0.0433   0.3755   0.3679   0.5153  -0.5089   0.5484  293.599  120.082  209.281  100.174 84.31886 156.3793 
1 1 1   11   13   20 o  748.031   71.073   2.8616   0.4833   3.3247   0.6972   2.4331   0.6706  770.139  100.806  636.575  118.858 133.5640 155.8496 
1 1 1   11   13   21 o  216.729  101.823  -0.1744   0.5176   0.1384   0.6743  -0.6230   0.8075  264.023  121.321  232.427  113.643 31.59608 166.2328 
1 1 1   11   15    0 o  1143.07   33.458   6.0466   0.3519   6.2044   0.4865   5.8733   0.5097  1154.99   45.775  1122.76   49.337 32.22461 67.30136 
1 1 1   11   15    1 o  732.867   48.482   2.5140   0.3251   2.4749   0.3626   2.6743   0.7339  725.428   54.725  730.183  112.870 -4.755310 125.4376 
1 1 1   11   15    2 o  820.492   38.542   3.1253   0.2910   3.0653   0.4057   3.1889   0.4176  807.088   54.959  823.105   55.456 -16.01685 78.07626 
1 1 1   11   15    3 o  197.367   74.779   0.1387   0.1866   0.0433   0.2611   0.2385   0.2669  199.277   83.815  243.828   90.028 -44.55081 123.0042 
1 1 1   11   15    4 o  560.872   50.552   1.4871   0.2581   1.2291   0.3566   1.7709   0.3741  499.235   80.345  606.206   68.247 -106.9715 105.4176 
1 1 1   11   15    5 f  653.667   47.702   2.0150   0.2849   2.0730   0.3094   1.6912   0.7310  661.843   51.205  548.804  143.225 113.0391 152.1031 
1 1 1   11   15    6 o  459.279   54.220   1.0112   0.2247   1.0002   0.2759   1.0328   0.3875  451.500   68.555  446.255   97.115 5.244995 118.8740 
1 1 1   11   15    7 o  479.617   56.652   1.1092   0.2452   1.1030   0.3043   1.1206   0.4141  471.690   72.417  461.406  100.387 10.28360 123.7812 
1 1 1   11   15    8 o  307.001   83.344   0.4857   0.2415   0.4113   0.3018   0.6182   0.4027  286.848   96.589  341.009  111.476 -54.16052 147.5001 
1 1 1   11   15    9 o  462.633   67.860   1.0592   0.2803   1.0132   0.3617   1.1283   0.4434  439.945   92.298  455.798  107.476 -15.85275 141.6689 
1 1 1   11   15   10 o  419.788   83.600   0.9068   0.3116   1.0810   0.4124   0.6751   0.4756  448.649  102.178  352.722  121.232 95.92776 158.5484 
1 1 1   11   15   11 o  326.138   85.447   0.5540   0.2595   0.8699   0.3797   0.2772   0.3555  401.400  102.462  262.269  102.200 139.1314 144.7179 
1 1 1   11   15   12 o  392.356   77.531   0.7832   0.2700   0.8085   0.3702   0.7543   0.3946  387.267  102.344  371.975  108.551 15.29251 149.1903 
1 1 1   11   15   13 o  594.589   74.025   1.7533   0.3962   1.3989   0.5488   2.1392   0.5727  501.566  120.433  639.438  100.657 -137.8718 156.9582 
1 1 1   11   15   14 o  430.698   87.747   0.9517   0.3359   1.4803   0.5779   0.6820   0.4129  517.509  123.148  357.841  112.485 159.6678 166.7884 
1 1 1   11   15   15 o  739.012   64.697   2.6417   0.4355   3.1328   0.7164   2.3539   0.5485  778.367  102.521  682.471   89.501 95.89655 136.0922 
1 1 1   11   15   16 o  161.681   77.013  -0.3554   0.3159   0.0871   0.4549  -0.7673   0.4390  252.941  108.657  168.958   82.856 83.98315 136.6435 
1 1 1   11   15   17 o  567.776  107.056   1.7358   0.5388   1.7358   0.5388   0.0000   0.0000  567.776  107.056  ?   ?  0.000000 107.0563 
1 1 1   11   15   18 o  1342.13   72.771   8.9921   0.8953   8.9921   0.8953   0.0000   0.0000  1342.13   72.771  ?   ?  0.000000 72.77061 
1 1 1   11   15   19 o  173.779   82.762  -0.3386   0.3645   0.3539   0.5138  -1.0400   0.5171  284.803  118.524  169.105   84.173 115.6973 145.3720 
1 1 1   11   15   20 o  348.373  114.812   0.7778   0.4268   1.0596   0.5987   0.4865   0.6087  381.906  135.669  297.230  126.627 84.67621 185.5809 
1 1 1   11   15   21 o  174.372   87.654  -1.2762   0.6278  -1.2762   0.6278   0.0000   0.0000  174.372   87.654  ?   ?  0.000000 87.65376 
1 1 1   11   17    0 o  616.265   45.652   1.7843   0.2570   1.4959   0.3422   2.1576   0.3893  556.712   68.232  671.747   63.750 -115.0345 93.37939 
1 1 1   11   17    1 o  933.300   39.838   4.0588   0.3421   4.0912   0.4760   4.0241   0.4921  929.817   55.894  920.980   58.367 8.837097 80.81352 
1 1 1   11   17    2 o  391.091   65.589   0.7474   0.2277   0.7312   0.3227   0.7634   0.3212  377.598   93.404  386.401   91.721 -8.803040 130.9079 
1 1 1   11   17    3 o  384.338   70.149   0.7302   0.2389   0.4536   0.3269   1.0474   0.3501  302.935  100.508  455.072   86.782 -152.1366 132.7895 
1 1 1   11   17    4 o  420.266   70.871   0.8739   0.2643   0.7184   0.3669   1.0416   0.3811  369.108  103.727  448.498   95.282 -79.38953 140.8475 
1 1 1   11   17    5 o  875.899   46.178   3.6225   0.3709   3.7533   0.5217   3.4889   0.5273  880.854   64.821  846.893   68.245 33.96130 94.12321 
1 1 1   11   17    6 o  503.155   68.664   1.2484   0.3096   0.6996   0.4149   1.9379   0.4651  359.802  112.708  619.537   83.726 -259.7353 140.4034 
1 1 1   11   17    7 o  175.865   75.836   0.0070   0.2233   0.0581   0.2808  -0.0808   0.3681  203.954   86.413  208.054   93.200 -4.100021 127.0964 
1 1 1   11   17    8 o  399.890   76.811   0.8122   0.2724   0.6276   0.3404   1.1408   0.4541  342.464  101.068  456.506  109.517 -114.0417 149.0260 
1 1 1   11   17    9 o  1010.56   45.511   4.8241   0.4232   5.5226   0.5534   3.8404   0.6567  1072.61   56.269  873.000   82.742 199.6120 100.0619 
1 1 1   11   17   10 o  350.826   94.620   0.6537   0.3125   0.6147   0.4131   0.7059   0.4777  338.464  113.011  358.552  121.520 -20.08878 165.9477 
1 1 1   11   17   11 o  499.204   70.843   1.2386   0.3163   1.4911   0.3984   0.8083   0.5201  541.793   82.528  379.479  126.806 162.3146 151.2966 
1 1 1   11   17   12 o  290.844  104.798   0.4069   0.3585   0.5213   0.4115   0.0465   0.7301  319.962  112.596  296.757  132.215 23.20471 173.6624 
1 1 1   11   17   13 o  354.806  132.638   0.6345   0.5829  -0.1205   0.9076   1.1645   0.7605  311.784  142.322  443.960  153.254 -132.1751 209.1461 
1 1 1   11   17   14 o  400.040  100.651   0.8461   0.3702   0.4986   0.4693   1.4185   0.6023  322.502  119.316  502.202  129.504 -179.6997 176.0896 
1 1 1   11   17   15 o  974.318   50.830   4.5083   0.4541   5.1195   0.6611   3.9622   0.6249  1023.91   70.595  895.694   76.560 128.2115 104.1394 
1 1 1   11   17   16 o  362.625  106.586   0.7154   0.3792   0.5589   0.4721   1.0000   0.6368  329.389  120.024  411.756  140.297 -82.36761 184.6321 
1 1 1   11   17   17 o  546.385   78.854   1.5260   0.3850   2.0534   0.5677   1.0771   0.5238  614.133  104.184  425.975  125.286 188.1574 162.9441 
1 1 1   11   17   18 o  670.907   75.385   2.3138   0.4573   3.6667   0.6867   1.2353   0.6131  826.026   91.899  432.931  137.193 393.0953 165.1280 
1 1 1   11   17   19 o  172.370   83.009  -0.4034   0.3898  -0.6950   0.5281  -0.0545   0.5777  185.634   91.003  239.861  110.958 -54.22644 143.5036 
1 1 1   11   17   20 o  283.211  110.829   0.4958   0.4194   0.2456   0.5633   0.8068   0.6281  257.594  115.350  326.138  132.891 -68.54404 175.9704 
1 1 1   11   19    0 o  621.862   54.030   1.8449   0.3061   1.8117   0.4198   1.8825   0.4473  605.390   77.104  615.128   80.997 -9.737854 111.8285 
1 1 1   11   19    1 o  891.091   45.522   3.7430   0.3720   4.2651   0.5383   3.2656   0.5147  941.614   62.483  819.560   68.891 122.0536 93.00568 
1 1 1   11   19    2 o  488.584   63.770   1.1644   0.2799   1.0616   0.3891   1.2747   0.4029  450.508   96.741  497.827   91.310 -47.31940 133.0276 
1 1 1   11   19    3 o  669.831   55.207   2.1505   0.3372   2.2674   0.4672   2.0234   0.4873  675.900   76.459  632.163   86.009 43.73694 115.0811 
1 1 1   11   19    4 o  183.998   81.103  -0.0355   0.2676  -0.3716   0.3552   0.4056   0.4069  172.670   82.080  295.645  110.760 -122.9752 137.8584 
1 1 1   11   19    5 o  501.115   74.264   1.2559   0.3321   1.1381   0.4566   1.3883   0.4839  456.071  110.056  507.104  107.056 -51.03299 153.5361 
1 1 1   11   19    6 o  554.095   70.157   1.5205   0.3497   1.8975   0.5043   1.1714   0.4853  604.309   93.730  458.916  115.121 145.3931 148.4526 
1 1 1   11   19    7 o  307.572   98.416   0.4941   0.3149   0.4168   0.4285   0.5849   0.4644  298.739  113.277  333.851  119.390 -35.11218 164.5770 
1 1 1   11   19    8 o  485.533   96.535   1.2464   0.4161   1.1958   0.4765   1.4087   0.8539  464.840  112.595  466.477  162.318 -1.636871 197.5466 
1 1 1   11   19    9 o  215.207   91.083   0.0761   0.3114  -0.1028   0.3349   1.2195   0.8467  195.138   88.028  439.858  160.672 -244.7196 183.2064 
1 1 1   11   19   10 o  468.523   87.366   1.1332   0.3628   0.9954   0.4824   1.3125   0.5504  420.899  119.173  480.903  123.679 -60.00360 171.7514 
1 1 1   11   19   11 o  816.327   53.943   3.1847   0.4029   3.5021   0.5253   2.7313   0.6279  847.134   67.966  727.179   96.198 119.9547 117.7858 
1 1 1   11   19   12 o  1332.13   60.618   8.4996   0.7430   10.092   0.9678   6.2128   1.1597  1436.86   73.442  1076.43  119.082 360.4309 139.9082 
1 1 1   11   19   13 o  1227.60   58.839   7.2008   0.6646   8.2429   0.9226   6.0762   0.9583  1293.67   77.863  1091.12   96.445 202.5515 123.9529 
1 1 1   11   19   14 o  441.258   95.689   1.0226   0.3773   1.1146   0.4624   0.8394   0.6527  451.825  111.833  388.676  141.204 63.14847 180.1257 
1 1 1   11   19   15 o  276.064  109.614   0.3043   0.4157   0.0947   0.4553   1.3528   1.0184  251.067  108.284  450.870  173.740 -199.8023 204.7219 
1 1 1   11   19   16 o  178.869   85.076  -0.3691   0.3826  -0.6925   0.4663   0.2978   0.6696  177.950   86.866  304.017  131.216 -126.0668 157.3639 
1 1 1   11   19   17 o  301.626  113.711   0.4942   0.4302   0.7758   0.5661   0.1092   0.6618  353.564  131.001  275.341  124.019 78.22284 180.3938 
1 1 1   11   19   18 o  285.577  106.322   0.4656   0.3738   0.6809   0.5392   0.2665   0.5186  325.057  126.092  265.120  114.953 59.93686 170.6265 
1 1 1   11   19   19 o  294.428  112.851   0.5580   0.4281   1.0773   0.6227   0.0925   0.5896  366.289  137.063  245.571  113.063 120.7179 177.6781 
1 1 1   11   21    0 o  733.995   54.181   2.5781   0.3634   2.5810   0.4953   2.5747   0.5347  721.513   75.729  715.783   82.705 5.730835 112.1386 
1 1 1   11   21    1 o  894.471   50.238   3.8052   0.4118   3.7421   0.5719   3.8731   0.5935  872.363   71.881  886.354   73.433 -13.99170 102.7587 
1 1 1   11   21    2 o  1220.29   45.409   7.0272   0.5099   6.0760   0.6837   8.2190   0.7653  1116.86   66.835  1303.92   63.788 -187.0653 92.38950 
1 1 1   11   21    3 o  458.273  104.563   1.1335   0.4312   1.0227   0.4893   1.5182   0.9120  426.055  119.808  481.187  167.731 -55.13217 206.1252 
1 1 1   11   21    4 o  632.697   78.473   2.0101   0.4471   1.9666   0.5192   2.1348   0.8791  614.416   94.891  579.729  159.699 34.68634 185.7637 
1 1 1   11   21    5 f  336.465   97.148   0.6031   0.3176   0.8799   0.4496   0.3274   0.4486  396.703  115.895  285.285  113.685 111.4172 162.3453 
1 1 1   11   21    6 o  770.808   60.052   2.8778   0.4226   3.4242   0.6032   2.3509   0.5922  825.396   80.437  668.377   99.309 157.0186 127.7985 
1 1 1   11   21    7 o  463.667   89.904   1.1207   0.3697   1.2306   0.5329   1.0187   0.5134  464.462  122.818  421.727  124.030 42.73547 174.5498 
1 1 1   11   21    8 o  1065.81   52.703   5.4134   0.5169   5.6537   0.7212   5.1597   0.7411  1069.69   73.722  1015.61   79.951 54.08185 108.7528 
1 1 1   11   21    9 o  564.394   98.494   1.6714   0.4929   2.1057   0.8061   1.4121   0.6229  590.955  148.435  492.443  133.932 98.51190 199.9271 
1 1 1   11   21   10 o  609.927   71.043   1.8317   0.3912   1.8548   0.4786   1.7851   0.6794  603.152   88.895  558.487  133.931 44.66577 160.7476 
1 1 1   11   21   11 o  672.385   75.428   2.2353   0.4586   2.7388   0.6239   1.6433   0.6766  730.984   94.994  534.072  137.001 196.9122 166.7129 
1 1 1   11   21   12 o  1083.34   68.699   5.7133   0.6813   5.7040   0.8112   5.7356   1.2549  1069.07   83.120  1006.00  139.306 63.06891 162.2190 
1 1 1   11   21   13 o  161.931   77.834  -0.4311   0.3389  -0.4214   0.4110  -0.4517   0.5989  184.915   88.014  229.429  108.324 -44.51405 139.5729 
1 1 1   11   21   14 o  284.320  110.936   0.3554   0.4192   0.1964   0.4570   1.2005   1.0537  264.339  111.020  428.209  172.978 -163.8699 205.5405 
1 1 1   11   21   15 o  219.680   97.032   0.0068   0.3849   0.1820   0.4848  -0.2924   0.6333  262.857  112.518  241.972  113.346 20.88449 159.7113 
1 1 1   11   21   16 o  291.228  110.728   0.4539   0.4101  -0.1793   0.4916   1.9037   0.7439  218.831  101.624  524.163  147.829 -305.3319 179.3896 
1 1 1   11   21   17 o  464.220  110.556   1.3258   0.4655   2.0420   0.5997   0.2406   0.7382  570.565  118.120  281.380  128.410 289.1855 174.4754 
1 1 1   11   21   18 o  213.111   99.149  -0.0735   0.4714   0.6588   0.6192  -1.0829   0.7269  305.123  128.746  197.064   98.361 108.0591 162.0200 
1 1 1   11   23    0 o  889.446   66.305   3.8567   0.5388   4.0303   0.6089   3.2307   1.1565  903.280   73.903  697.634  179.206 205.6464 193.8460 
1 1 1   11   23    1 f  742.971   60.060   2.6704   0.4071   2.4099   0.5504   2.9849   0.6048  685.926   89.330  765.770   87.401 -79.84381 124.9745 
1 1 1   11   23    2 f  475.050   82.941   1.1539   0.3494   1.4455   0.4823   0.8318   0.5068  518.810  104.629  384.044  125.037 134.7658 163.0381 
1 1 1   11   23    3 o  358.511  101.598   0.6927   0.3505   0.3194   0.4946   1.0692   0.4967  290.724  118.130  434.686  120.168 -143.9622 168.5083 
1 1 1   11   23    4 o  409.651   97.804   0.8971   0.3636   1.8744   0.5368   0.0688   0.4942  594.102  101.859  255.946  111.584 338.1564 151.0835 
1 1 1   11   23    5 o  389.924   99.855   0.8177   0.3598   0.7233   0.4918   0.9265   0.5279  361.925  123.297  402.005  127.297 -40.07977 177.2194 
1 1 1   11   23    6 o  185.242   86.042  -0.2337   0.3527   0.5253   0.5068  -0.9461   0.4910  326.265  123.322  171.978   84.969 154.2864 149.7604 
1 1 1   11   23    7 o  710.661   71.754   2.4909   0.4628   2.5117   0.6493   2.4694   0.6598  688.046  105.950  679.427  109.245 8.618896 152.1832 
1 1 1   11   23    8 o  604.721   96.997   1.8989   0.5215   3.4919   0.9757   1.2618   0.6170  779.550  141.216  466.195  135.652 313.3556 195.8146 
1 1 1   11   23    9 o  612.947  119.069   2.0500   0.6474   0.0000   0.0000   2.0500   0.6474  ?   ?   612.947  119.069 0.000000 119.0691 
1 1 1   11   23   10 o  1703.99   59.914   13.919   0.9394   13.746   1.5799   14.013   1.1684  1622.42  106.417  1690.43   75.116 -68.00806 130.2572 
1 1 1   11   23   11 o  641.885   86.087   2.0947   0.4957   1.4810   0.6460   2.9727   0.7728  502.672  136.259  738.462  117.674 -235.7891 180.0383 
1 1 1   11   23   12 o  639.100  100.706   2.1668   0.5726   2.9179   0.6929   0.5493   1.0168  739.181  104.814  367.348  160.108 371.8336 191.3650 
1 1 1   11   23   13 f  316.257  113.838   0.5324   0.4229   0.6284   0.4769   0.1796   0.9145  337.084  120.941  320.645  144.980 16.43939 188.8009 
1 1 1   11   23   14 o  452.082  107.096   1.1684   0.4387   1.1078   0.5365   1.2907   0.7618  421.934  127.452  428.777  152.959 -6.842773 199.0988 
1 1 1   11   23   15 o  471.996  106.897   1.3109   0.4535   1.2617   0.5574   1.4073   0.7800  437.393  129.406  426.109  154.429 11.28412 201.4799 
1 1 1   11   23   16 o  645.633   88.437   2.3353   0.5116   2.5560   0.6421   1.9516   0.8467  642.434  112.723  468.113  161.699 174.3210 197.1115 
1 1 1   11   23   17 o  483.314  113.946   1.5492   0.4985   2.0467   0.6559   0.8687   0.7671  522.031  135.391  319.892  139.251 202.1394 194.2206 
1 1 1   11   25    0 o  207.952   92.365  -0.0521   0.3536  -0.1576   0.4769   0.0767   0.5269  227.555  103.597  264.653  115.304 -37.09830 155.0073 
1 1 1   11   25    1 o  772.302   66.782   2.9133   0.4699   2.5092   0.6281   3.4268   0.7081  690.925  101.857  813.739   96.450 -122.8145 140.2767 
1 1 1   11   25    2 o  463.371   97.041   1.1331   0.4005   1.1682   0.5359   1.0886   0.6028  453.424  124.593  431.654  135.958 21.77002 184.4126 
1 1 1   11   25    3 o  1074.06   56.858   5.5318   0.5599   5.8933   0.7864   5.1601   0.7975  1088.53   79.047  1010.80   86.578 77.72571 117.2356 
1 1 1   11   25    4 o  948.167   62.595   4.3485   0.5430   4.1796   0.7635   4.5215   0.7725  903.491   93.175  942.968   90.133 -39.47614 129.6366 
1 1 1   11   25    5 o  625.118   80.698   1.9600   0.4533   1.8501   0.6249   2.0821   0.6587  578.706  121.233  615.383  120.637 -36.67627 171.0283 
1 1 1   11   25    6 o  261.368  105.854   0.2240   0.3957   0.7189   0.5452  -0.3270   0.5752  366.002  129.523  235.420  109.529 130.5818 169.6255 
1 1 1   11   25    7 o  538.907  136.830   1.6807   0.6797   0.0000   0.0000   1.6807   0.6797  ?   ?   538.907  136.830 0.000000 136.8297 
1 1 1   11   25    8 o  264.794  119.015  -0.0666   0.6057   0.0000   0.0000  -0.0666   0.6057  ?   ?   264.794  119.015 0.000000 119.0154 
1 1 1   11   25    9 o  343.851  114.353   0.6358   0.4231   0.0047   0.5709   1.4045   0.6301  264.199  117.358  488.849  135.421 -224.6498 179.1971 
1 1 1   11   25   10 o  568.439   93.774   1.6929   0.4734   2.5421   0.7048   0.9950   0.6389  677.437  117.320  407.899  140.495 269.5382 183.0373 
1 1 1   11   25   11 o  987.603   97.181   5.1602   0.8717   5.1602   0.8717   0.0000   0.0000  987.603   97.181  ?   ?  0.000000 97.18107 
1 1 1   11   25   12 f  612.112  117.044   2.1665   0.6352   2.6476   0.7735   1.1702   1.1131  660.245  131.940  403.474  171.548 256.7707 216.4179 
1 1 1   11   25   13 o  188.579   89.214  -0.3014   0.4099  -0.3769   0.4930  -0.1325   0.7377  202.083   96.245  262.525  122.767 -60.44215 155.9962 
1 1 1   11   25   14 o  252.430  104.303   0.2830   0.3938   0.1290   0.4778   0.6095   0.6956  242.468  107.551  315.362  134.881 -72.89357 172.5114 
1 1 1   11   25   15 o  240.289  106.998   0.1732   0.4775   0.3624   0.6001  -0.1530   0.7881  272.113  120.624  248.626  119.291 23.48634 169.6486 
1 1 1   11   27    0 o  640.083   83.298   2.0548   0.4790   1.5495   0.6417   2.6907   0.7198  522.004  133.163  710.191  114.005 -188.1874 175.2982 
1 1 1   11   27    1 o  698.212   80.673   2.4303   0.5088   2.2595   0.6884   2.6361   0.7553  644.112  120.572  695.091  122.564 -50.97894 171.9292 
1 1 1   11   27    2 o  846.074   71.319   3.5033   0.5501   2.3467   0.7199   5.1252   0.8526  652.990  124.360  1003.97   93.358 -350.9785 155.5032 
1 1 1   11   27    3 o  637.690   86.543   2.0581   0.4947   2.4465   0.6979   1.6657   0.7014  672.703  116.988  533.920  140.760 138.7834 183.0286 
1 1 1   11   27    4 o  1083.67   63.067   5.6705   0.6262   5.6592   0.8837   5.6819   0.8873  1055.31   91.927  1057.21   92.132 -1.904419 130.1494 
1 1 1   11   27    5 o  316.194  132.684   0.3341   0.6518   0.0000   0.0000   0.3341   0.6518  ?   ?   316.194  132.684 0.000000 132.6838 
1 1 1   11   27    6 f  660.821  138.390   2.5394   0.8145   0.0000   0.0000   2.5394   0.8145  ?   ?   660.821  138.390 0.000000 138.3899 
1 1 1   11   27    7 o  915.974   71.932   4.1470   0.6014   4.0296   0.8351   4.2735   0.8668  868.442  106.757  893.609  107.572 -25.16663 151.5545 
1 1 1   11   27    8 o  377.263  120.292   0.8137   0.4708   0.9625   0.6277   0.6223   0.7118  399.779  139.165  350.414  141.950 49.36453 198.7878 
1 1 1   11   27    9 o  204.326   95.617  -0.2821   0.4488  -0.4901   0.6094  -0.0357   0.6634  224.045  106.788  269.533  122.507 -45.48752 162.5165 
1 1 1   11   27   10 o  753.551  121.677   3.3309   0.8150   3.3309   0.8150   0.0000   0.0000  753.551  121.677  ?   ?  0.000000 121.6775 
1 1 1   11   27   11 f  242.161  109.197   0.0221   0.5147   0.3145   0.7054  -0.3111   0.7529  295.835  130.974  252.196  119.773 43.63895 177.4821 
1 1 1   11   27   12 o  189.887   91.993  -0.5102   0.4966  -0.7110   0.6694  -0.2645   0.7406  211.014  103.235  246.759  117.643 -35.74492 156.5164 
1 1 1   11   27   13 o  173.602   85.950  -0.7880   0.5118  -0.9539   0.6642  -0.5456   0.8031  193.898   96.328  231.428  113.191 -37.52998 148.6316 
1 1 1   11   27   14 o  228.112  106.040   0.0325   0.5374   0.2910   0.6944  -0.3534   0.8484  263.244  121.733  237.009  116.010 26.23511 168.1582 
1 1 1   11   27   15 o  384.816  151.225   1.6383   0.7836   1.5172   1.0591   1.7849   1.1648  332.973  152.648  340.721  157.596 -7.748108 219.4035 
1 1 1   11   29    0 o  426.745  129.640   1.0406   0.5540   2.3471   0.8410   0.0391   0.7363  627.649  148.020  297.065  132.531 330.5837 198.6812 
1 1 1   11   29    1 f  333.288  139.779   0.4158   0.7227   0.0000   0.0000   0.4158   0.7227  ?   ?   333.288  139.779 0.000000 139.7786 
1 1 1   11   29    2 o  413.691  149.001   1.0191   0.7246   0.0000   0.0000   1.0191   0.7246  ?   ?   413.691  149.001 0.000000 149.0012 
1 1 1   11   29    3 o  293.132  129.858   0.1012   0.6944   0.0000   0.0000   0.1012   0.6944  ?   ?   293.132  129.858 0.000000 129.8583 
1 1 1   11   29    4 o  375.400  137.817   0.8089   0.6241   0.9409   1.2027   0.7602   0.7301  406.632  175.680  370.984  145.912 35.64761 228.3717 
1 1 1   11   29    5 f  260.647  114.073   0.0923   0.5209   0.4413   0.7496  -0.2336   0.7245  330.217  140.598  265.268  123.250 64.94974 186.9717 
1 1 1   11   29    6 o  358.764  126.884   0.7516   0.5231   0.8644   0.7149   0.6216   0.7676  376.775  145.461  347.512  144.762 29.26373 205.2197 
1 1 1   11   29    7 o  747.464   89.653   2.9602   0.6043   3.1726   0.8249   2.7141   0.8879  728.774  127.659  638.718  153.071 90.05603 199.3175 
1 1 1   11   29    8 o  283.539  122.336   0.2917   0.5816   0.7400   0.6973  -0.7333   1.0544  346.382  140.436  269.957  131.526 76.42548 192.4094 
1 1 1   11   29    9 o  543.480  152.119   2.1595   0.7908   2.1595   0.7908   0.0000   0.0000  543.480  152.119  ?   ?  0.000000 152.1189 
1 1 1   11   29   10 o  439.095  131.487   1.3530   0.5729   1.5812   0.7512   1.0359   0.8856  439.223  152.278  354.873  152.001 84.35043 215.1574 
1 1 1   11   29   11 o  291.445  123.632   0.5431   0.5759   1.5189   0.8360  -0.3380   0.7944  394.390  155.812  238.889  115.878 155.5015 194.1781 
1 1 1   11   29   12 o  351.650  133.020   1.0478   0.5899   1.8832   0.8107   0.1075   0.8601  427.853  157.077  259.526  124.547 168.3272 200.4624 
1 1 1   11   31    0 o  429.094  129.027   1.1130   0.5508   1.0086   0.7257   1.2550   0.8460  399.226  148.239  429.947  159.979 -30.72150 218.1006 
1 1 1   11   31    1 o  261.022  115.731   0.0694   0.5527   0.9371   0.8141  -0.6724   0.7527  385.908  153.349  238.798  115.087 147.1103 191.7319 
1 1 1   11   31    2 o  780.925   98.936   3.3025   0.6950   3.0645   1.0823   3.4695   0.9066  644.350  177.071  754.691  135.535 -110.3405 222.9885 
1 1 1   11   31    3 o  365.524  129.393   0.8238   0.5442   0.4562   0.7238   1.3017   0.8253  319.106  137.065  424.543  157.999 -105.4377 209.1665 
1 1 1   11   31    4 o  637.060  107.113   2.3088   0.6056   2.1962   0.8288   2.4377   0.8871  556.696  155.702  581.140  160.565 -24.44434 223.6612 
1 1 1   11   31    5 o  489.552  142.359   1.6564   0.6797   2.5802   0.8921   0.3774   1.0496  591.271  160.048  323.238  149.542 268.0331 219.0386 
1 1 1   11   31    6 o  286.108  126.016   0.3322   0.6448   0.8563   0.7728  -0.8686   1.1697  347.990  145.133  267.063  131.797 80.92703 196.0455 
1 1 1   11   31    7 o  218.670  105.911  -0.4953   0.6572  -0.5620   0.7369  -0.2361   1.4533  226.827  110.390  298.474  147.225 -71.64769 184.0141 
1 1 1   11   31    8 o  246.234  116.143  -0.0397   0.6854  -0.3415   0.7888   0.8912   1.3851  239.332  115.945  324.456  156.306 -85.12415 194.6143 
1 1 1   11   31    9 o  312.019  128.821   0.7592   0.6001   1.2660   0.7814   0.0308   0.9368  359.032  147.477  263.040  127.170 95.99207 194.7345 
1 1 1   11   31   10 o  274.781  122.960   0.5161   0.6389   1.7654   0.8623  -1.0044   0.9513  388.086  156.582  217.883  109.301 170.2036 190.9571 
1 1 1   11   33    0 o  320.290  136.380   0.6189   0.7054   0.7683   0.7747  -0.1052   1.7061  337.802  143.352  322.120  159.006 15.68298 214.0856 
1 1 1   11   33    1 o  335.266  141.554   0.7757   0.7493   0.7757   0.7493   0.0000   0.0000  335.266  141.554  ?   ?  0.000000 141.5540 
1 1 1   11   33    2 f  306.119  138.231   0.4977   0.8282   0.4977   0.8282   0.0000   0.0000  306.119  138.231  ?   ?  0.000000 138.2310 
1 1 1   11   33    3 o  265.749  125.174   0.0459   0.7911   0.0459   0.7911   0.0000   0.0000  265.749  125.174  ?   ?  0.000000 125.1744 
1 1 1   11   33    4 o  322.844  144.082   0.8433   0.8710   0.8433   0.8710   0.0000   0.0000  322.844  144.082  ?   ?  0.000000 144.0823 
1 1 1   11   33    5 o  331.418  148.993   1.0871   0.9498   1.7690   1.2388   0.1143   1.4796  360.770  165.281  288.770  143.513 72.00027 218.8921 
1 1 1   11   33    6 o  337.641  147.322   1.2144   0.8630   3.9831   1.5086  -0.1324   1.0522  448.160  195.183  257.907  126.838 190.2525 232.7753 
1 1 1   11   33    7 o  246.895  118.532   0.0887   0.7807  -0.2118   1.3217   0.2497   0.9675  259.724  130.082  263.701  127.907 -3.976654 182.4322 
1 1 1   11   33    8 o  238.811  120.846  -0.8217   1.3105  -0.8217   1.3105   0.0000   0.0000  238.811  120.846  ?   ?  0.000000 120.8465 
1 1 1   11   35    0 o  250.172  117.767   0.1525   0.6984   0.9564   0.8386  -1.6669   1.2615  314.940  140.904  228.400  115.899 86.54024 182.4464 
1 1 1   11   35    1 f  189.914   94.247  -0.7520   0.6292  -0.0082   0.8244  -1.7896   0.9737  246.823  119.321  199.940  101.495 46.88292 156.6486 
1 1 1   11   35    2 f  284.855  128.302   0.6544   0.7083   1.0384   0.9417   0.1542   1.0747  307.821  142.138  262.728  129.003 45.09299 191.9504 
1 1 1   12    0    0 o  1838.03   42.775   15.589   0.7226   15.589   0.7226   15.589   0.7226  1838.03   42.775  1838.03   42.775 0.000000 0.000000 
1 1 1   12    0    1 o  1031.97   46.388   4.9363   0.4385   4.9363   0.4385   4.9363   0.4385  1031.97   46.388  1031.97   46.388 0.000000 0.000000 
1 1 1   12    0    2 o  603.841   54.062   1.7205   0.2949   1.7205   0.2949   1.7205   0.2949  603.841   54.062  603.841   54.062 0.000000 0.000000 
1 1 1   12    0    3 o  1642.13   43.123   12.446   0.6506   12.446   0.6506   12.446   0.6506  1642.13   43.123  1642.13   43.123 0.000000 0.000000 
1 1 1   12    0    4 f  1840.21   43.263   15.624   0.7317   15.624   0.7317   15.624   0.7317  1840.21   43.263  1840.21   43.263 0.000000 0.000000 
1 1 1   12    0    5 o  1568.22   45.176   11.360   0.6507   11.360   0.6507   11.360   0.6507  1568.22   45.176  1568.22   45.176 0.000000 0.000000 
1 1 1   12    0    6 o  389.829   81.273   0.7873   0.2570   0.7873   0.2570   0.7873   0.2570  389.829   81.273  389.829   81.273 0.000000 0.000000 
1 1 1   12    0    7 o   79.688   57.508  -0.3976   0.2150  -0.3976   0.2150  -0.3976   0.2150   79.688   57.508   79.688   57.508 0.000000 0.000000 
1 1 1   12    0    8 o  459.274  129.441   1.1998   0.4736   1.1998   0.4736   1.1998   0.4736  459.274  129.441  459.274  129.441 0.000000 0.000000 
1 1 1   12    0    9 o  640.180   73.164   1.9832   0.4164   1.9832   0.4164   1.9832   0.4164  640.180   73.164  640.180   73.164 0.000000 0.000000 
1 1 1   12    0   10 o  373.919  157.608   0.9641   0.5469   0.9641   0.5469   0.9641   0.5469  373.919  157.608  373.919  157.608 0.000000 0.000000 
1 1 1   12    0   11 o  640.097  122.479   2.1706   0.6449   2.1706   0.6449   2.1706   0.6449  640.097  122.479  640.097  122.479 0.000000 0.000000 
1 1 1   12    0   12 o  1513.29   62.016   10.772   0.8603   10.772   0.8603   10.772   0.8603  1513.29   62.016  1513.29   62.016 0.000000 0.000000 
1 1 1   12    0   13 o  167.948  105.690   0.0885   0.3436   0.0885   0.3436   0.0885   0.3436  167.948  105.690  167.948  105.690 0.000000 0.000000 
1 1 1   12    0   14 o  149.560   97.476  -0.0081   0.3259  -0.0081   0.3259  -0.0081   0.3259  149.560   97.476  149.560   97.476 0.000000 0.000000 
1 1 1   12    0   15 o  754.324   73.995   2.7552   0.5023   2.7552   0.5023   2.7552   0.5023  754.324   73.995  754.324   73.995 0.000000 0.000000 
1 1 1   12    0   16 o  995.466  115.726   4.9797   1.0227   4.9797   1.0227   4.9797   1.0227  995.466  115.726  995.466  115.726 0.000000 0.000000 
1 1 1   12    0   17 o  356.731  176.116   0.9581   0.6932   0.9581   0.6932   0.9581   0.6932  356.731  176.116  356.731  176.116 0.000000 0.000000 
1 1 1   12    0   18 o  432.408  132.520   1.1131   0.4609   1.1131   0.4609   1.1131   0.4609  432.408  132.520  432.408  132.520 0.000000 0.000000 
1 1 1   12    0   19 o  239.962  149.311   0.2600   0.6658   0.2600   0.6658   0.2600   0.6658  239.962  149.311  239.962  149.311 0.000000 0.000000 
1 1 1   12    0   20 f  138.907   97.928  -0.5268   0.4970  -0.5268   0.4970  -0.5268   0.4970  138.907   97.928  138.907   97.928 0.000000 0.000000 
1 1 1   12    0   21 o  304.916  155.929   0.7247   0.5532   0.7247   0.5532   0.7247   0.5532  304.916  155.929  304.916  155.929 0.000000 0.000000 
1 1 1   12    0   22 o  957.961  117.716   4.8217   0.9956   4.8217   0.9956   4.8217   0.9956  957.961  117.716  957.961  117.716 0.000000 0.000000 
1 1 1   12    0   23 o  249.572  157.196   0.4154   0.7620   0.4154   0.7620   0.4154   0.7620  249.572  157.196  249.572  157.196 0.000000 0.000000 
1 1 1   12    2    0 o  830.338   33.202   3.1768   0.2537   3.3796   0.3640   2.9852   0.3538  854.567   46.460  802.833   48.108 51.73358 66.88027 
1 1 1   12    2    1 o  735.857   34.966   2.4952   0.2368   2.3489   0.3341   2.6428   0.3355  711.474   51.384  755.200   48.540 -43.72601 70.68560 
1 1 1   12    2    2 o  653.074   35.657   1.9712   0.2135   1.9208   0.2995   2.0234   0.3044  643.080   51.025  660.201   50.486 -17.12140 71.77971 
1 1 1   12    2    3 o  1044.04   31.803   5.0214   0.3055   4.9358   0.4353   5.1045   0.4289  1034.41   45.735  1052.02   44.309 -17.60901 63.67876 
1 1 1   12    2    4 o  2304.64   30.039   24.466   0.6370   24.136   0.8935   24.808   0.9084  2287.65   42.448  2319.24   42.568 -31.58984 60.11553 
1 1 1   12    2    5 o  2105.93   31.103   20.436   0.6027   20.677   0.8516   20.195   0.8531  2116.69   43.726  2091.74   44.321 24.94971 62.26003 
1 1 1   12    2    6 o  1071.67   34.612   5.2984   0.3413   5.2851   0.4806   5.3120   0.4848  1068.88   48.864  1071.55   49.170 -2.672852 69.32098 
1 1 1   12    2    7 o  1554.67   39.663   11.180   0.5674   9.9685   0.9245   11.912   0.7187  1460.26   68.800  1602.59   48.737 -142.3304 84.31362 
1 1 1   12    2    8 o  1301.19   43.118   7.8605   0.5163   8.0842   0.6413   7.4485   0.8703  1316.57   52.933  1252.77   75.856 63.80334 92.49913 
1 1 1   12    2    9 o  1072.28   46.983   5.3639   0.4636   5.0167   0.5621   6.1024   0.8197  1031.11   59.494  1126.82   79.568 -95.71240 99.35108 
1 1 1   12    2   10 o  841.833   52.397   3.3453   0.4039   3.0510   0.4830   4.0290   0.7362  797.683   66.412  903.052   89.792 -105.3691 111.6831 
1 1 1   12    2   11 o  177.468   79.545  -0.0884   0.2686  -0.2805   0.4690   0.0053   0.3276  216.053   99.956  210.904   91.402 5.149231 135.4456 
1 1 1   12    2   12 o  638.362   66.699   1.9879   0.3860   2.2932   0.6640   1.8320   0.4744  652.922  114.710  600.024   88.586 52.89813 144.9337 
1 1 1   12    2   13 o  374.155   91.031   0.7332   0.3104   1.0795   0.4764   0.4775   0.4092  441.784  115.779  310.559  111.966 131.2246 161.0622 
1 1 1   12    2   14 o  727.831   54.243   2.5369   0.3607   3.0392   0.4813   1.8933   0.5448  789.158   66.904  598.863  102.545 190.2945 122.4406 
1 1 1   12    2   15 o  246.143   91.260   0.2624   0.2748   0.2984   0.3775   0.2218   0.4009  271.063  105.402  261.360  106.294 9.703156 149.6932 
1 1 1   12    2   16 o  151.848   71.657  -0.2597   0.2614  -0.4761   0.3569  -0.0090   0.3841  164.752   79.362  223.176   97.804 -58.42397 125.9524 
1 1 1   12    2   17 o  1186.69   44.820   6.6113   0.4894   7.1945   0.7095   6.0818   0.6760  1224.46   63.184  1123.71   65.662 100.7568 91.12486 
1 1 1   12    2   18 o  622.288   68.650   1.8864   0.3866   1.7569   0.5337   2.0293   0.5607  580.731  103.670  627.049  100.573 -46.31799 144.4380 
1 1 1   12    2   19 o  225.639   97.910   0.0237   0.3768   0.4760   0.5545  -0.3647   0.5137  325.812  127.451  218.074  102.130 107.7377 163.3227 
1 1 1   12    2   20 o  844.163  103.348   3.7935   0.7860   3.7935   0.7860   0.0000   0.0000  844.163  103.348  ?   ?  0.000000 103.3481 
1 1 1   12    2   21 o  584.701   99.084   1.8714   0.5141   1.6234   0.5795   2.7872   1.1135  521.046  122.868  591.296  184.542 -70.24969 221.7033 
1 1 1   12    2   22 o  925.260   73.338   4.4470   0.6193   3.5852   0.9209   5.1584   0.8367  726.901  142.777  959.236   96.086 -232.3354 172.0983 
1 1 1   12    2   23 o  450.832  157.005   1.8167   0.7990   1.8167   0.7990   0.0000   0.0000  450.832  157.005  ?   ?  0.000000 157.0050 
1 1 1   12    4    0 o  539.286   37.632   1.3469   0.1856   1.7596   0.2756   1.0047   0.2510  615.567   49.068  462.378   60.436 153.1894 77.84735 
1 1 1   12    4    1 o  1143.06   30.891   6.0184   0.3249   5.9592   0.4632   6.0758   0.4559  1136.71   44.283  1147.85   43.162 -11.13269 61.83814 
1 1 1   12    4    2 o  1209.62   30.601   6.7396   0.3406   6.5630   0.4817   6.9161   0.4816  1192.93   43.886  1224.68   42.739 -31.74731 61.25858 
1 1 1   12    4    3 o  2327.84   29.368   24.959   0.6291   24.787   0.8857   25.133   0.8936  2318.54   41.515  2334.67   41.596 -16.12402 58.76823 
1 1 1   12    4    4 o  1528.03   30.768   10.757   0.4326   10.357   0.5977   11.198   0.6270  1498.30   43.350  1557.92   43.739 -59.62329 61.58178 
1 1 1   12    4    5 o  1166.42   37.445   6.2758   0.4019   6.5018   0.6763   6.1524   0.4997  1182.92   62.356  1154.03   47.055 28.88293 78.11811 
1 1 1   12    4    6 o  1161.12   39.221   6.2279   0.4190   5.4667   0.6718   6.7127   0.5361  1081.46   67.851  1204.20   48.385 -122.7380 83.33570 
1 1 1   12    4    7 o  433.275   63.122   0.8943   0.2443   1.0482   0.4557   0.8323   0.2893  458.195  109.571  413.973   78.835 44.22192 134.9842 
1 1 1   12    4    8 o  1948.61   41.235   17.627   0.7394   16.992   1.2821   17.943   0.9050  1894.88   73.534  1961.84   50.132 -66.96436 88.99649 
1 1 1   12    4    9 o  653.733   70.759   2.0547   0.4189   2.0547   0.4189   0.0000   0.0000  653.733   70.759  ?   ?  0.000000 70.75912 
1 1 1   12    4   10 o  1252.35   37.618   7.3044   0.4335   7.1106   0.5628   7.5870   0.6798  1230.08   49.721  1265.60   58.372 -35.52576 76.67793 
1 1 1   12    4   11 o  234.449   82.897   0.2466   0.2233  -0.0449   0.2840   0.7182   0.3613  189.205   83.471  369.020  102.653 -179.8150 132.3069 
1 1 1   12    4   12 o  719.475   57.064   2.4857   0.3747   2.3211   0.5421   2.6362   0.5185  675.258   89.441  727.812   78.671 -52.55377 119.1169 
1 1 1   12    4   13 o  293.491   86.894   0.4432   0.2513   0.4400   0.3275   0.4477   0.3916  295.641  100.623  302.654  109.466 -7.012848 148.6874 
1 1 1   12    4   14 o  292.905   91.643   0.4402   0.2744   0.8049   0.3775   0.0313   0.3996  386.437  103.902  231.508  100.641 154.9289 144.6522 
1 1 1   12    4   15 o  395.792   85.318   0.8079   0.3016   0.7257   0.3837   0.9408   0.4879  366.816  107.032  410.355  120.971 -43.53918 161.5239 
1 1 1   12    4   16 o  167.505   76.957  -0.1617   0.2712  -0.6530   0.3637   0.4532   0.4069  153.869   75.449  307.136  111.507 -153.2670 134.6340 
1 1 1   12    4   17 o  1150.24   45.992   6.2176   0.4868   6.5559   0.6852   5.8730   0.6916  1168.18   63.991  1102.07   68.541 66.10986 93.77001 
1 1 1   12    4   18 o  732.074   70.278   2.6119   0.4676   3.0772   0.7389   2.3011   0.6039  768.335  107.455  667.238  101.563 101.0970 147.8573 
1 1 1   12    4   19 o  392.376   96.425   0.8131   0.3457   0.5879   0.5050   1.0116   0.4742  339.686  124.080  427.653  117.074 -87.96695 170.5931 
1 1 1   12    4   20 o  376.553  112.665   0.7965   0.4207   1.4555   0.6242   0.2478   0.5696  492.401  134.127  288.610  122.712 203.7902 181.7920 
1 1 1   12    4   21 o  502.578   93.931   1.3755   0.4184   1.3356   0.5583   1.4266   0.6320  464.333  127.000  468.638  137.558 -4.304810 187.2194 
1 1 1   12    4   22 o  300.194  111.091   0.5349   0.4069   0.0122   0.5644   1.1003   0.5870  244.023  111.710  393.846  134.703 -149.8221 174.9978 
1 1 1   12    6    0 o  1877.06   34.857   16.234   0.6021   16.553   0.6995   15.321   1.1827  1894.98   40.113  1819.41   70.647 75.57288 81.24073 
1 1 1   12    6    1 o  2784.44   34.776   35.724   0.8910   36.526   1.0472   33.620   1.6957  2814.81   40.432  2695.48   68.365 119.3293 79.42651 
1 1 1   12    6    2 o  1574.77   40.602   11.434   0.5883   0.0000   0.0000   11.434   0.5883  ?   ?   1574.77   40.602 0.000000 40.60249 
1 1 1   12    6    3 o  855.363   45.993   3.3860   0.3607   0.0000   0.0000   3.3860   0.3607  ?   ?   855.363   45.993 0.000000 45.99310 
1 1 1   12    6    4 o  1697.80   44.045   13.306   0.6881   0.0000   0.0000   13.306   0.6881  ?   ?   1697.80   44.045 0.000000 44.04465 
1 1 1   12    6    5 o  926.951   34.742   3.9645   0.2963   4.2295   0.4245   3.7128   0.4138  954.930   48.473  894.221   50.498 60.70941 69.99811 
1 1 1   12    6    6 o  899.835   34.287   3.7400   0.2839   3.7441   0.3737   3.7343   0.4366  897.886   45.376  895.143   53.246 2.742615 69.95792 
1 1 1   12    6    7 o  813.520   36.542   3.0638   0.2735   2.6708   0.3437   3.7427   0.4517  756.005   49.687  893.979   55.186 -137.9748 74.25809 
1 1 1   12    6    8 o  734.250   44.568   2.5190   0.2997   2.3553   0.3457   3.0138   0.6011  707.497   53.501  788.816   84.109 -81.31909 99.68263 
1 1 1   12    6    9 o  294.602   74.673   0.4320   0.2027   0.4191   0.2642   0.4504   0.3160  291.550   89.711  303.715   98.727 -12.16458 133.3976 
1 1 1   12    6   10 o  211.767   83.204   0.1450   0.2372   0.4047   0.3029  -0.2665   0.3813  288.477   96.771  193.091   89.612 95.38625 131.8895 
1 1 1   12    6   11 o  1072.98   39.481   5.3876   0.3898   5.3393   0.5304   5.4444   0.5748  1058.76   54.633  1066.29   58.807 -7.535034 80.26840 
1 1 1   12    6   12 o  1401.77   44.945   9.2595   0.5797   9.5546   0.8346   8.9844   0.8058  1406.42   64.494  1364.11   64.200 42.31616 91.00028 
1 1 1   12    6   13 o  259.745   84.782   0.3340   0.2330   0.3491   0.3190   0.3169   0.3410  272.931   98.783  268.745  101.257 4.186432 141.4603 
1 1 1   12    6   14 o  754.193   48.051   2.7009   0.3317   3.0307   0.4783   2.3953   0.4605  788.137   66.573  696.118   72.976 92.01874 98.78004 
1 1 1   12    6   15 o  377.433   83.839   0.7333   0.2836   0.5548   0.4033   0.9080   0.3989  327.015  111.649  410.596  105.132 -83.58145 153.3562 
1 1 1   12    6   16 o  677.207   56.316   2.1960   0.3477   2.3871   0.4974   2.0132   0.4863  693.401   79.391  632.362   85.796 61.03906 116.8926 
1 1 1   12    6   17 o  1013.32   48.628   4.8378   0.4534   4.0639   0.6088   5.8016   0.6795  912.940   73.086  1095.90   67.711 -182.9586 99.63093 
1 1 1   12    6   18 o  1513.88   49.946   10.826   0.6958   11.136   1.1093   10.625   0.8933  1502.76   80.515  1486.08   65.327 16.68262 103.6837 
1 1 1   12    6   19 o  229.499   94.196   0.1424   0.3185  -0.0859   0.4280   0.4255   0.4767  223.388  100.253  306.980  118.705 -83.59244 155.3755 
1 1 1   12    6   20 o  282.175  107.866   0.3729   0.3905   0.2475   0.5112   0.5484   0.6050  278.220  117.168  330.669  131.946 -52.44965 176.4595 
1 1 1   12    6   21 o  318.485  112.945   0.5845   0.4148   0.6716   0.5858   0.4969   0.5873  335.597  131.085  310.482  127.733 25.11563 183.0271 
1 1 1   12    6   22 o  186.387   87.860  -0.2329   0.3911   0.8920   0.5922  -1.1034   0.5209  353.087  133.339  163.456   81.836 189.6310 156.4495 
1 1 1   12    8    0 o  1748.92   75.520   14.176   1.2153   0.0000   0.0000   14.176   1.2153  ?   ?   1748.92   75.520 0.000000 75.52009 
1 1 1   12    8    1 o  885.431   89.177   3.6819   0.7167   0.0000   0.0000   3.6819   0.7167  ?   ?   885.431   89.177 0.000000 89.17653 
1 1 1   12    8    2 o  1354.28   40.446   8.4594   0.5040   8.2070   0.5782   9.2576   1.0284  1333.33   47.129  1409.51   79.618 -76.17883 92.52092 
1 1 1   12    8    3 o  606.344   32.921   1.6999   0.1830   1.7171   0.2382   1.6751   0.2858  608.385   42.824  599.624   52.328 8.761169 67.61754 
1 1 1   12    8    4 o  1313.96   28.023   7.9585   0.3388   7.5883   0.4205   8.6441   0.5722  1282.28   35.634  1367.26   45.479 -84.97717 57.77670 
1 1 1   12    8    5 o  1716.49   28.831   13.592   0.4554   13.589   0.5785   13.597   0.7383  1714.85   36.664  1713.01   46.837 1.847778 59.48050 
1 1 1   12    8    6 o  919.801   36.293   3.9152   0.3072   3.8042   0.3592   4.2175   0.5926  905.584   43.104  945.278   68.601 -39.69427 81.01936 
1 1 1   12    8    7 o  1700.06   31.596   13.373   0.4943   13.161   0.6294   13.714   0.7983  1683.44   40.633  1714.02   50.616 -30.57520 64.90727 
1 1 1   12    8    8 o  839.844   35.627   3.2746   0.2753   3.3133   0.3834   3.2333   0.3957  839.801   49.832  828.760   52.149 11.04132 72.13004 
1 1 1   12    8    9 o  179.305   71.653   0.0860   0.1787   0.3426   0.2554  -0.1602   0.2501  267.639   88.832  160.881   73.913 106.7579 115.5606 
1 1 1   12    8   10 o  543.975   60.745   1.4290   0.2989   1.3506   0.4122   1.5159   0.4340  514.601   90.341  546.341   89.421 -31.74054 127.1128 
1 1 1   12    8   11 o  729.926   44.996   2.5181   0.3007   2.3533   0.4233   2.6861   0.4273  694.430   67.084  744.732   62.950 -50.30219 91.99433 
1 1 1   12    8   12 o  1123.37   48.862   5.9759   0.5051   5.2536   0.7019   6.7514   0.7273  1032.01   74.417  1177.43   67.411 -145.4225 100.4092 
1 1 1   12    8   13 o  244.328   87.041   0.2746   0.2466   0.6610   0.3541  -0.0892   0.3436  351.197  102.936  200.007   89.788 151.1901 136.5933 
1 1 1   12    8   14 o  339.326   85.119   0.5974   0.2653   0.4742   0.3641   0.7370   0.3875  306.110  106.016  368.851  107.544 -62.74149 151.0132 
1 1 1   12    8   15 o  246.243   90.979   0.2627   0.2727  -0.2390   0.3608   0.9310   0.4164  188.018   87.225  414.986  108.000 -226.9683 138.8244 
1 1 1   12    8   16 o  367.806   91.192   0.7009   0.3071   0.7472   0.4355   0.6551   0.4332  373.473  115.216  352.948  115.630 20.52502 163.2332 
1 1 1   12    8   17 o  1083.69   53.393   5.5621   0.5324   6.6804   0.8722   4.8979   0.6722  1163.00   82.033  1002.07   73.410 160.9330 110.0840 
1 1 1   12    8   18 f  706.197   62.452   2.4113   0.4016   2.3013   0.5532   2.5340   0.5840  671.559   91.943  704.866   92.260 -33.30682 130.2515 
1 1 1   12    8   19 o  350.860  104.937   0.6677   0.3650   0.3716   0.5028   0.9977   0.5309  299.293  119.981  415.529  127.056 -116.2364 174.7532 
1 1 1   12    8   20 o  236.318  100.774   0.1224   0.3862  -0.2187   0.4614   0.9201   0.7057  212.555   98.622  382.881  145.326 -170.3266 175.6304 
1 1 1   12    8   21 o  202.189   95.330  -0.2758   0.4609   0.0199   0.6296  -0.6174   0.6766  258.201  118.122  220.870  107.094 37.33109 159.4425 
1 1 1   12    8   22 o  358.935  111.982   0.8355   0.4100   1.0896   0.6091   0.6249   0.5545  377.811  136.538  308.604  125.194 69.20740 185.2465 
1 1 1   12   10    0 o  865.154   65.833   3.4890   0.5202   3.6623   0.7251   3.3053   0.7466  881.513   90.691  835.010   99.099 46.50317 134.3331 
1 1 1   12   10    1 f  1339.22   58.079   8.3059   0.7157   9.8891   1.0752   7.0461   0.9591  1454.75   80.635  1225.96   85.555 228.7928 117.5653 
1 1 1   12   10    2 f  1288.05   37.373   7.6579   0.4430   7.2956   0.4867   9.4044   1.0687  1256.67   42.092  1416.30   82.362 -159.6331 92.49438 
1 1 1   12   10    3 o  852.425   35.944   3.3554   0.2819   3.4016   0.3796   3.2985   0.4210  855.665   48.412  841.415   54.677 14.24945 73.02885 
1 1 1   12   10    4 o  1419.01   27.049   9.2890   0.3532   9.3855   0.4691   9.1626   0.5367  1424.94   35.775  1406.79   41.461 18.14990 54.76195 
1 1 1   12   10    5 o  1072.18   29.859   5.3112   0.2946   5.4058   0.3955   5.1934   0.4414  1079.94   39.804  1057.34   45.371 22.59937 60.35638 
1 1 1   12   10    6 o  552.294   37.651   1.4213   0.1902   1.5427   0.2758   1.3112   0.2626  572.100   52.999  526.545   55.017 45.55536 76.39220 
1 1 1   12   10    7 o  720.585   36.258   2.4172   0.2396   2.2859   0.3394   2.5478   0.3385  695.932   53.402  735.946   50.280 -40.01440 73.34789 
1 1 1   12   10    8 o  859.488   35.551   3.4358   0.2812   4.0094   0.4106   2.9291   0.3858  923.005   48.511  786.520   53.631 136.4847 72.31578 
1 1 1   12   10    9 o  525.078   49.175   1.3101   0.2348   1.4849   0.3414   1.1532   0.3235  551.366   68.788  482.157   75.384 69.20895 102.0521 
1 1 1   12   10   10 o  142.332   67.793  -0.2853   0.2447   0.2521   0.3368  -0.8862   0.3562  255.654   99.522  137.454   68.646 118.2002 120.9000 
1 1 1   12   10   11 o  570.068   51.582   1.5551   0.2676   1.6144   0.3974   1.5059   0.3621  567.416   78.187  550.419   73.316 16.99640 107.1839 
1 1 1   12   10   12 o  930.298   42.115   4.0700   0.3605   4.2381   0.5282   3.9233   0.4933  936.069   61.669  901.824   59.784 34.24438 85.89062 
1 1 1   12   10   13 o  418.852   86.535   0.9076   0.3225   1.2579   0.4810   0.6217   0.4346  479.639  111.166  341.403  115.909 138.2359 160.6017 
1 1 1   12   10   14 o  320.527   89.470   0.5354   0.2739   0.6000   0.3885   0.4715   0.3863  336.321  109.473  307.352  109.003 28.96902 154.4860 
1 1 1   12   10   15 o  431.826   76.680   0.9361   0.2935   0.5958   0.3885   1.3886   0.4481  337.153  109.461  516.170   97.917 -179.0176 146.8651 
1 1 1   12   10   16 o  882.164   57.624   3.7178   0.4652   3.0665   0.7311   4.1608   0.6030  767.908  106.327  924.476   71.437 -156.5674 128.0959 
1 1 1   12   10   17 f  555.860   73.721   1.5257   0.3678   1.9110   0.5289   1.1649   0.5118  608.642   97.738  460.444  119.684 148.1984 154.5218 
1 1 1   12   10   18 o  191.239   86.593  -0.1206   0.3276  -0.3063   0.4755   0.0471   0.4520  212.841   99.209  245.767  106.938 -32.92538 145.8705 
1 1 1   12   10   19 o  904.903   65.544   4.0224   0.5421   3.7452   0.6939   4.4566   0.8683  849.770   90.113  908.964  105.799 -59.19427 138.9741 
1 1 1   12   10   20 o  579.931   82.420   1.7640   0.4274   1.9211   0.5864   1.5860   0.6243  574.287  114.988  499.965  133.280 74.32214 176.0275 
1 1 1   12   10   21 o  223.014  102.367  -0.0577   0.4783   0.3057   0.6532  -0.4778   0.7024  282.193  125.433  229.049  110.587 53.14328 167.2209 
1 1 1   12   12    0 o  914.235   37.310   3.8611   0.3139   3.7623   0.3364   4.5250   0.8722  902.139   40.525  973.439   98.738 -71.29980 106.7311 
1 1 1   12   12    1 o  1013.98   40.168   4.7554   0.3748   4.7554   0.3748   0.0000   0.0000  1013.98   40.168  ?   ?  0.000000 40.16843 
1 1 1   12   12    2 o  911.721   45.534   3.8544   0.3820   3.8544   0.3820   0.0000   0.0000  911.721   45.534  ?   ?  0.000000 45.53359 
1 1 1   12   12    3 o  1043.05   29.867   5.0257   0.2867   5.1273   0.3399   4.7753   0.5336  1052.74   35.085  1009.65   57.671 43.08667 67.50524 
1 1 1   12   12    4 o  314.443   57.152   0.4765   0.1593   0.3563   0.1943   0.7226   0.2780  270.174   75.331  382.824   81.429 -112.6501 110.9304 
1 1 1   12   12    5 o  1037.95   29.004   4.9828   0.2770   4.6639   0.3826   5.3345   0.4017  1001.43   41.516  1071.22   40.748 -69.78864 58.17237 
1 1 1   12   12    6 o  1180.09   29.878   6.4503   0.3244   6.4497   0.4564   6.4508   0.4613  1176.14   42.174  1176.08   42.624 0.5957031E-01 59.96180 
1 1 1   12   12    7 o  826.148   35.236   3.1749   0.2679   3.2152   0.3826   3.1361   0.3752  825.144   50.630  815.044   50.271 10.09998 71.34836 
1 1 1   12   12    8 o  925.724   35.684   3.9945   0.3040   3.8037   0.4253   4.1937   0.4346  895.569   51.831  941.274   50.358 -45.70575 72.26611 
1 1 1   12   12    9 o  417.526   58.674   0.8479   0.2192   0.7461   0.3023   0.9608   0.3183  379.337   88.275  434.434   82.635 -55.09747 120.9174 
1 1 1   12   12   10 o  432.916   75.906   0.9445   0.2914   0.8440   0.3917   1.0689   0.4359  394.722  105.721  443.621  107.839 -48.89941 151.0170 
1 1 1   12   12   11 o  404.471   72.072   0.8211   0.2584   0.7301   0.3644   0.9131   0.3665  367.885  103.367  414.200   97.733 -46.31573 142.2549 
1 1 1   12   12   12 o  398.354   78.739   0.8090   0.2784   1.0829   0.3876   0.5171   0.4001  452.907   95.978  317.222  111.073 135.6859 146.7951 
1 1 1   12   12   13 o  1005.78   54.508   4.8383   0.5026   4.6354   0.7185   5.0326   0.7033  961.815   81.967  1007.71   76.410 -45.89600 112.0588 
1 1 1   12   12   14 o  761.442   53.282   2.7677   0.3710   2.7484   0.5229   2.7873   0.5264  744.138   77.496  749.459   77.453 -5.321716 109.5654 
1 1 1   12   12   15 o  488.344   83.436   1.2038   0.3615   1.2142   0.5698   1.1968   0.4676  465.409  128.721  472.854  109.605 -7.444824 169.0629 
1 1 1   12   12   16 o  886.961   56.591   3.7561   0.4595   3.1110   0.7040   4.2348   0.6064  777.057  100.836  932.310   71.227 -155.2534 123.4549 
1 1 1   12   12   17 o  753.057   60.164   2.7337   0.4134   3.3186   0.5823   2.1393   0.5870  817.690   78.352  638.111  103.526 179.5789 129.8332 
1 1 1   12   12   18 o  363.145  108.317   0.7247   0.3893   0.1761   0.4773   1.8157   0.6731  265.964  112.673  556.372  133.236 -290.4080 174.4908 
1 1 1   12   12   19 o  680.008   73.262   2.3386   0.4512   3.5350   0.6701   1.3467   0.6102  819.005   90.431  463.389  134.917 355.6161 162.4203 
1 1 1   12   12   20 o  252.573  104.719   0.2530   0.3990   0.7502   0.5676  -0.2326   0.5609  342.733  130.275  226.039  106.132 116.6942 168.0344 
1 1 1   12   12   21 o  359.263  135.830   0.9811   0.6149   1.3865   0.8150   0.4452   0.9370  393.014  154.297  301.581  140.136 91.43280 208.4358 
1 1 1   12   14    0 o  309.555   50.286   0.4573   0.1383   0.4758   0.1782   0.4292   0.2195  313.059   64.007  295.848   79.091 17.21118 101.7460 
1 1 1   12   14    1 o  873.737   33.235   3.5325   0.2672   3.6711   0.3752   3.3899   0.3806  887.219   46.119  851.778   48.765 35.44153 67.11895 
1 1 1   12   14    2 o  314.009   60.977   0.4783   0.1698   0.7382   0.2481   0.2491   0.2330  389.138   71.941  240.659   84.720 148.4785 111.1442 
1 1 1   12   14    3 o  322.892   53.312   0.5006   0.1529   0.4259   0.1833   0.6713   0.2772  294.158   68.914  366.964   83.906 -72.80612 108.5787 
1 1 1   12   14    4 o  279.629   67.788   0.3861   0.1726   0.5166   0.2166   0.1588   0.2858  322.541   74.475  229.541   90.972 93.00011 117.5685 
1 1 1   12   14    5 o  1220.38   32.872   6.9145   0.3691   6.9054   0.4625   6.9304   0.6127  1216.40   41.322  1212.03   54.934 4.366211 68.74031 
1 1 1   12   14    6 o  401.346   58.700   0.7800   0.2104   0.8216   0.2571   0.6957   0.3661  407.664   71.112  364.482  104.026 43.18109 126.0094 
1 1 1   12   14    7 o  297.866   78.209   0.4507   0.2171   0.5783   0.2714   0.2239   0.3618  334.886   87.210  255.854  102.049 79.03198 134.2374 
1 1 1   12   14    8 o  843.510   37.944   3.3293   0.2945   2.8278   0.4032   3.9026   0.4312  767.210   57.538  905.295   51.978 -138.0850 77.53909 
1 1 1   12   14    9 o  1061.39   37.098   5.2719   0.3623   5.7987   0.5250   4.7928   0.5007  1104.45   51.658  1000.93   54.565 103.5182 75.13902 
1 1 1   12   14   10 o  328.078   90.949   0.5655   0.2841   0.8645   0.3871   0.2165   0.4183  399.390  104.225  262.671  107.896 136.7187 150.0150 
1 1 1   12   14   11 o  348.596   82.216   0.6284   0.2594   0.2758   0.3578   1.0194   0.3768  262.407  102.456  438.861   95.970 -176.4538 140.3835 
1 1 1   12   14   12 o  265.326   90.315   0.3450   0.2639   0.3750   0.3854   0.3185   0.3620  286.273  107.690  271.741  103.862 14.53152 149.6148 
1 1 1   12   14   13 o  1305.92   51.562   8.0956   0.6196   7.7471   0.8886   8.4255   0.8644  1251.55   77.538  1311.73   71.890 -60.17993 105.7372 
1 1 1   12   14   14 o  751.126   60.125   2.7138   0.4121   2.6490   0.6729   2.7528   0.5213  711.215  106.062  746.397   77.001 -35.18213 131.0657 
1 1 1   12   14   15 o  770.381   62.593   2.8612   0.4399   2.8207   0.7188   2.8855   0.5562  731.939  110.134  762.591   80.476 -30.65216 136.4036 
1 1 1   12   14   16 o  684.683   62.181   2.2678   0.3875   2.6972   0.5427   1.8213   0.5534  734.725   81.650  586.334  106.503 148.3906 134.2000 
1 1 1   12   14   17 o  409.632  123.582   0.9570   0.5047   0.9570   0.5047   0.0000   0.0000  409.632  123.582  ?   ?  0.000000 123.5825 
1 1 1   12   14   18 f  277.042  107.312   0.3509   0.3901  -0.0119   0.4779   1.0750   0.6752  238.870  106.657  411.376  144.275 -172.5057 179.4183 
1 1 1   12   14   19 o  543.996   88.893   1.5967   0.4296   1.1436   0.5900   2.1082   0.6268  415.771  134.880  594.338  118.768 -178.5670 179.7174 
1 1 1   12   14   20 o  378.891  108.930   0.8957   0.4000   0.6168   0.5465   1.2176   0.5872  311.816  125.057  410.677  134.626 -98.86081 183.7484 
1 1 1   12   14   21 o  228.409  114.258  -1.1242   1.0053   0.0000   0.0000  -1.1242   1.0053  ?   ?   228.409  114.258 0.000000 114.2579 
1 1 1   12   16    0 o  809.112   36.961   3.0407   0.2752   2.8855   0.3711   3.2304   0.4102  783.023   51.795  827.845   54.147 -44.82227 74.93038 
1 1 1   12   16    1 o  580.196   42.394   1.5775   0.2248   1.5934   0.3121   1.5604   0.3240  578.096   59.515  570.953   62.702 7.143066 86.45039 
1 1 1   12   16    2 o  1406.75   34.524   9.1923   0.4469   9.7011   0.6330   8.6869   0.6310  1438.88   47.812  1360.22   50.411 78.65967 69.47858 
1 1 1   12   16    3 o  824.846   40.690   3.1762   0.3088   3.0700   0.4291   3.2904   0.4449  802.848   58.481  831.280   58.535 -28.43262 82.74266 
1 1 1   12   16    4 o  386.894   68.632   0.7387   0.2354   0.8002   0.3422   0.6834   0.3243  392.765   95.594  362.945   95.723 29.82034 135.2815 
1 1 1   12   16    5 o  291.394   74.646   0.4290   0.2010   0.4894   0.2430   0.2978   0.3580  309.411   83.429  269.719  103.244 39.69220 132.7395 
1 1 1   12   16    6 o  338.838   72.769   0.5791   0.2201   0.5152   0.2695   0.7072   0.3815  315.393   88.987  363.172  106.953 -47.77878 139.1320 
1 1 1   12   16    7 f  174.688   74.985   0.0132   0.2164   0.1738   0.2641  -0.3146   0.3773  223.016   87.745  184.829   86.868 38.18686 123.4720 
1 1 1   12   16    8 o  416.166   72.205   0.8687   0.2665   0.9502   0.3257   0.7039   0.4633  429.086   85.506  358.710  119.686 70.37637 147.0917 
1 1 1   12   16    9 o  253.552   90.202   0.3012   0.2648   0.2018   0.3244   0.4997   0.4583  241.585   96.539  317.461  117.818 -75.87671 152.3183 
1 1 1   12   16   10 o  554.273   69.982   1.5214   0.3490   1.2821   0.4565   1.8576   0.5412  487.550  104.877  590.636  103.350 -103.0859 147.2426 
1 1 1   12   16   11 o  363.856   81.640   0.6826   0.2666   1.0105   0.3774   0.3558   0.3767  436.667   96.485  281.132  106.311 155.5354 143.5667 
1 1 1   12   16   12 f  747.520   56.232   2.6824   0.3840   2.2946   0.4733   3.4290   0.6567  678.795   77.143  822.118   88.186 -143.3229 117.1656 
1 1 1   12   16   13 o  1206.67   78.430   7.1841   0.8661   10.138   1.4364   5.4964   1.0857  1384.77  113.732  1012.21  118.825 372.5608 164.4821 
1 1 1   12   16   14 o  482.391   89.629   1.1922   0.3832   1.3203   0.5849   1.0958   0.5072  484.487  128.935  445.582  120.712 38.90512 176.6229 
1 1 1   12   16   15 o  157.777   74.889  -0.3145   0.2935  -1.0162   0.3904   0.5983   0.4452  141.302   70.759  339.052  117.253 -197.7500 136.9490 
1 1 1   12   16   16 o  448.700  101.566   1.0811   0.4096   1.5702   0.5256   0.3250   0.6535  537.140  110.042  312.914  132.164 224.2264 171.9781 
1 1 1   12   16   17 o  446.792  106.751   1.1122   0.4329   1.1823   0.5523   1.0007   0.6969  444.301  128.074  400.350  145.842 43.95038 194.0949 
1 1 1   12   16   18 o  310.499  107.749   0.5425   0.3762   0.5337   0.5208   0.5521   0.5439  313.431  123.248  317.492  125.598 -4.060547 175.9685 
1 1 1   12   16   19 o  201.579   91.981  -0.0670   0.3786  -0.0258   0.5274  -0.1108   0.5439  234.475  107.578  229.465  106.674 5.009949 151.4998 
1 1 1   12   16   20 o  254.301  105.534   0.3313   0.4057   0.5720   0.5648   0.0747   0.5832  295.418  123.713  242.878  112.049 52.53999 166.9133 
1 1 1   12   18    0 o  227.666   79.756   0.2316   0.2063   0.2562   0.2694   0.1966   0.3209  246.119   90.519  243.559   96.434 2.559662 132.2623 
1 1 1   12   18    1 o  168.087   72.923  -0.0119   0.2090  -0.0468   0.2734   0.0371   0.3241  185.573   81.879  214.956   92.006 -29.38312 123.1637 
1 1 1   12   18    2 o  584.224   51.965   1.6266   0.2764   1.6472   0.3835   1.6043   0.3989  578.158   73.765  568.114   78.386 10.04437 107.6361 
1 1 1   12   18    3 o  181.718   77.355   0.0269   0.2268   0.0428   0.3136   0.0095   0.3285  211.854   90.588  210.750   91.430 1.104294 128.7077 
1 1 1   12   18    4 o  557.637   58.016   1.5013   0.2933   1.4645   0.4056   1.5416   0.4247  536.965   84.912  550.047   86.795 -13.08173 121.4223 
1 1 1   12   18    5 o  326.759   90.222   0.5585   0.2802   0.7227   0.4132   0.4187   0.3813  364.302  112.207  295.311  107.824 68.99112 155.6159 
1 1 1   12   18    6 o  446.082   81.529   1.0157   0.3223   1.3938   0.4499   0.6171   0.4620  513.584   98.787  340.922  119.350 172.6615 154.9304 
1 1 1   12   18    7 o  435.150   69.790   0.9442   0.2700   0.9282   0.3276   0.9781   0.4767  422.836   87.102  416.927  118.609 5.909332 147.1555 
1 1 1   12   18    8 o  241.482   94.156   0.2244   0.3018   0.1498   0.3260   0.6715   0.7984  231.936   95.265  367.432  149.784 -135.4958 177.5126 
1 1 1   12   18    9 o  825.878   57.144   3.2848   0.4316   3.6769   0.4905   1.9393   0.9085  870.877   61.603  542.964  166.243 327.9125 177.2896 
1 1 1   12   18   10 o  167.483   77.915  -0.2119   0.2910  -0.3956   0.3749   0.0665   0.4614  176.294   83.954  249.450  108.294 -73.15623 137.0247 
1 1 1   12   18   11 o  798.216   53.261   3.0440   0.3889   3.1982   0.4886   2.7772   0.6427  810.323   66.101  731.434   97.951 78.88892 118.1682 
1 1 1   12   18   12 o  948.830   59.279   4.3201   0.5150   4.3390   0.7224   4.3006   0.7343  930.891   85.280  924.971   87.307 5.920227 122.0464 
1 1 1   12   18   13 o  682.502   85.312   2.3423   0.5241   2.1187   0.6353   2.8184   0.9272  628.718  114.010  693.693  149.647 -64.97571 188.1293 
1 1 1   12   18   14 o  860.308   68.954   3.6140   0.5413   3.3837   0.7422   3.8756   0.7911  805.351  102.477  863.312  101.520 -57.96100 144.2491 
1 1 1   12   18   15 o  605.414   76.006   1.8353   0.4141   1.8760   0.5257   1.7688   0.6722  596.060   99.340  549.735  134.077 46.32452 166.8686 
1 1 1   12   18   16 o  644.328   76.814   2.1049   0.4464   2.0974   0.5734   2.1164   0.7114  620.682  104.083  594.465  133.344 26.21747 169.1561 
1 1 1   12   18   17 o  716.384   68.755   2.5895   0.4477   2.4860   0.6225   2.7003   0.6442  665.307  105.187  695.165  103.894 -29.85876 147.8456 
1 1 1   12   18   18 o  302.170  108.308   0.5419   0.3824   0.6574   0.5403   0.4259   0.5413  322.025  125.857  288.201  120.924 33.82422 174.5355 
1 1 1   12   18   19 o  209.241   94.877   0.0118   0.3949  -0.0737   0.5452   0.1060   0.5726  225.774  105.569  245.078  112.313 -19.30348 154.1398 
1 1 1   12   20    0 o  520.656   64.049   1.3225   0.3004   1.4047   0.4011   1.2174   0.4533  525.592   85.901  477.156  105.996 48.43561 136.4336 
1 1 1   12   20    1 o  644.669   55.465   1.9945   0.3258   1.5328   0.4349   2.5849   0.4919  546.722   89.554  722.779   75.050 -176.0571 116.8432 
1 1 1   12   20    2 o  273.614   92.808   0.3687   0.2786   0.5950   0.3800   0.1056   0.4098  335.018  108.204  244.606  104.044 90.41159 150.1115 
1 1 1   12   20    3 o  223.458   94.563   0.0843   0.3356   0.2691   0.3800  -0.5707   0.7154  265.404  104.987  245.132  116.517 20.27234 156.8392 
1 1 1   12   20    4 o  316.607  104.706   0.5240   0.3549   0.5412   0.4018   0.4628   0.7567  322.448  111.395  341.056  143.031 -18.60770 181.2922 
1 1 1   12   20    5 o  487.188   73.975   1.1890   0.3212   1.6704   0.4529   0.7020   0.4556  569.247   89.420  357.825  118.645 211.4220 148.5688 
1 1 1   12   20    6 o  318.587   98.576   0.5361   0.3185   0.3632   0.4547   0.7027   0.4462  292.237  115.083  357.615  117.371 -65.37741 164.3776 
1 1 1   12   20    7 o  320.897  100.859   0.5454   0.3319   0.4835   0.4593   0.6131   0.4803  314.017  117.668  339.844  121.430 -25.82684 169.0892 
1 1 1   12   20    8 o  349.450  102.326   0.6573   0.3501   0.5704   0.4640   0.7722   0.5335  331.080  119.239  371.733  128.358 -40.65314 175.1960 
1 1 1   12   20    9 o  565.024   66.239   1.5666   0.3379   1.6558   0.4166   1.3951   0.5775  572.424   81.382  494.574  126.412 77.85001 150.3428 
1 1 1   12   20   10 o  627.726   75.528   1.9567   0.4275   1.7823   0.5603   2.1997   0.6614  576.528  109.621  635.636  117.401 -59.10791 160.6227 
1 1 1   12   20   11 o  823.841   64.472   3.2859   0.4848   3.3820   0.6511   3.1662   0.7265  819.092   87.746  779.149  103.919 39.94238 136.0097 
1 1 1   12   20   12 o  357.310  108.828   0.6829   0.3900   0.4753   0.4288   1.6772   0.9383  313.102  114.346  511.100  170.313 -197.9984 205.1377 
1 1 1   12   20   13 o  507.656  113.792   1.4117   0.5184   1.3767   0.6271   1.4871   0.9212  485.504  135.316  479.224  168.492 6.279968 216.1020 
1 1 1   12   20   14 o  185.211   87.977  -0.3926   0.4066  -0.2111   0.4494  -1.2112   0.9545  213.608   98.479  250.685  122.777 -37.07741 157.3929 
1 1 1   12   20   15 o  376.867  111.534   0.8120   0.4140   0.7392   0.5056   0.9601   0.7211  356.763  124.861  390.687  147.241 -33.92468 193.0551 
1 1 1   12   20   16 o  189.920   88.775  -0.2274   0.3850   0.0637   0.4864  -0.7155   0.6299  243.756  108.299  209.545  101.997 34.21088 148.7683 
1 1 1   12   20   17 o  261.431  106.911   0.3245   0.4084  -0.2245   0.5018   1.4013   0.7028  212.182   99.867  426.183  147.316 -214.0005 177.9762 
1 1 1   12   20   18 f  308.329  117.993   0.6459   0.4676   0.4254   0.6121   0.9546   0.7244  279.297  122.909  338.526  140.797 -59.22919 186.8966 
1 1 1   12   20   19 o  394.980  170.264   2.2341   1.1246   0.0000   0.0000   2.2341   1.1246  ?   ?   394.980  170.264 0.000000 170.2641 
1 1 1   12   22    0 o  696.422   68.681   2.3779   0.4344   2.3813   0.4757   2.3607   1.0652  692.312   75.927  590.989  179.820 101.3229 195.1922 
1 1 1   12   22    1 o  283.440   94.981   0.4030   0.2918   0.9001   0.4004  -0.1600   0.4261  407.423  105.847  214.442   97.744 192.9813 144.0744 
1 1 1   12   22    2 o  571.999   66.369   1.6063   0.3428   1.7587   0.4659   1.4263   0.5063  584.781   89.419  511.434  110.795 73.34665 142.3772 
1 1 1   12   22    3 o  181.741   82.314  -0.1130   0.2963  -0.0389   0.4306  -0.1796   0.4083  229.087  101.831  207.111   94.884 21.97610 139.1855 
1 1 1   12   22    4 o  366.033  101.934   0.7230   0.3560   0.7132   0.4963   0.7335   0.5110  360.132  123.841  364.243  125.629 -4.111359 176.4061 
1 1 1   12   22    5 o  377.522   96.986   0.7618   0.3387   0.4712   0.4702   1.0751   0.4883  312.910  118.663  436.804  118.486 -123.8933 167.6891 
1 1 1   12   22    6 o  820.334   73.215   3.3301   0.5469   2.1233   0.9694   3.8935   0.6623  563.715  171.548  878.997   82.861 -315.2815 190.5118 
1 1 1   12   22    7 o  459.014   97.432   1.1145   0.3988   1.3341   0.5694   0.9031   0.5587  483.262  126.545  397.774  131.373 85.48819 182.4076 
1 1 1   12   22    8 o  184.500   85.071  -0.1970   0.3355  -0.3088   0.4784  -0.0889   0.4707  213.534   99.527  233.799  105.012 -20.26462 144.6828 
1 1 1   12   22    9 o  420.246  135.496   1.0093   0.5960   0.0000   0.0000   1.0093   0.5960  ?   ?   420.246  135.496 0.000000 135.4962 
1 1 1   12   22   10 f  692.152   69.945   2.3473   0.4394   2.1525   0.5786   2.6126   0.6753  642.108  101.277  703.178  107.806 -61.06989 147.9167 
1 1 1   12   22   11 f  780.729   60.217   2.9412   0.4293   2.6207   0.5304   3.5494   0.7308  723.324   81.087  828.416   97.747 -105.0916 127.0025 
1 1 1   12   22   12 o  242.027  105.748   0.0380   0.4460   0.0134   0.5146   0.1123   0.8943  253.457  112.058  321.352  144.509 -67.89510 182.8660 
1 1 1   12   22   13 o  202.555   92.226  -0.1311   0.3781  -0.0399   0.4166  -0.5567   0.8996  223.359   99.668  271.871  129.626 -48.51274 163.5137 
1 1 1   12   22   14 o  500.386   96.550   1.3642   0.4284   1.4433   0.5226   1.2021   0.7481  497.761  116.220  420.338  151.404 77.42300 190.8670 
1 1 1   12   22   15 o  161.742   79.114  -0.5872   0.3925  -0.4462   0.4678  -0.9226   0.7215  190.870   91.666  213.893  105.160 -23.02299 139.5034 
1 1 1   12   22   16 o  400.235  117.602   1.0461   0.4617   0.9357   0.5838   1.2306   0.7546  359.912  133.095  386.628  149.393 -26.71579 200.0812 
1 1 1   12   22   17 o  365.865  124.699   0.9907   0.5030   1.2507   0.6515   0.6066   0.7917  383.797  140.820  298.426  134.917 85.37073 195.0201 
1 1 1   12   24    0 o  278.469  100.888   0.3658   0.3329   0.0984   0.4312   0.7602   0.5236  248.070  106.152  371.342  127.223 -123.2713 165.6926 
1 1 1   12   24    1 o  466.298   87.686   1.1220   0.3624   1.0914   0.4815   1.1620   0.5504  442.847  116.577  450.436  127.209 -7.588287 172.5461 
1 1 1   12   24    2 o  380.479  103.821   0.7822   0.3736   1.1351   0.5049   0.3551   0.5554  449.435  119.875  305.278  124.743 144.1576 173.0053 
1 1 1   12   24    3 o  388.296  104.837   0.8164   0.3833   1.1290   0.5290   0.4707   0.5563  445.613  124.306  322.567  127.207 123.0463 177.8587 
1 1 1   12   24    4 o  638.484   77.175   2.0353   0.4442   1.2769   0.5802   3.1091   0.6905  470.904  129.754  772.268   99.476 -301.3644 163.4983 
1 1 1   12   24    5 o  238.843   99.915   0.1286   0.3678  -0.2200   0.5388   0.4328   0.5034  236.012  108.449  311.761  121.581 -75.74883 162.9206 
1 1 1   12   24    6 o  399.388  104.067   0.8561   0.3863   0.6567   0.5247   1.0920   0.5708  353.482  126.855  436.883  131.346 -83.40070 182.6029 
1 1 1   12   24    7 o  253.975  107.370   0.1307   0.4320   0.2650   0.7057   0.0502   0.5463  316.811  135.690  266.655  116.755 50.15674 179.0069 
1 1 1   12   24    8 o  983.028   91.158   4.9046   0.8152   0.0000   0.0000   4.9046   0.8152  ?   ?   983.028   91.158 0.000000 91.15819 
1 1 1   12   24    9 o  342.967  122.066   0.6162   0.4849   1.0250   0.8503   0.4191   0.5903  418.043  159.325  319.617  129.340 98.42599 205.2151 
1 1 1   12   24   10 o  464.806  108.938   1.1826   0.4578   1.8346   0.6579   0.5704   0.6375  565.073  129.323  342.989  135.882 222.0836 187.5861 
1 1 1   12   24   11 o  827.771   75.426   3.4311   0.5682   3.7590   0.7704   3.0400   0.8414  840.123  101.735  723.989  131.125 116.1340 165.9632 
1 1 1   12   24   12 o  322.716  129.527   0.5244   0.5867   0.5244   0.5867   0.0000   0.0000  322.716  129.527  ?   ?  0.000000 129.5272 
1 1 1   12   24   13 o  500.768   98.207   1.3938   0.4364   1.4701   0.5294   1.2323   0.7705  495.644  117.817  413.868  152.935 81.77609 193.0546 
1 1 1   12   24   14 o  352.652  114.497   0.7790   0.4251   0.7900   0.5003   0.7505   0.8059  348.168  123.986  337.140  144.717 11.02838 190.5668 
1 1 1   12   24   15 o  241.721  105.006   0.2100   0.4344   0.6159   0.5318  -0.6042   0.7532  305.229  123.028  223.594  109.414 81.63429 164.6429 
1 1 1   12   24   16 o  233.719  103.778   0.1890   0.4460   0.0786   0.5266   0.4693   0.8388  231.448  106.670  283.052  131.880 -51.60391 169.6196 
1 1 1   12   26    0 o  576.145   85.025   1.6770   0.4372   1.3482   0.5783   2.1155   0.6679  489.617  127.211  622.273  121.010 -132.6561 175.5735 
1 1 1   12   26    1 o  607.628   82.472   1.8541   0.4492   2.1586   0.6149   1.5056   0.6578  638.114  108.614  510.427  137.131 127.6879 174.9342 
1 1 1   12   26    2 o  401.809  109.701   0.8730   0.4170   1.2826   0.6030   0.4977   0.5773  473.572  132.936  331.997  129.998 141.5753 185.9337 
1 1 1   12   26    3 o  412.968  107.423   0.9182   0.4121   0.6123   0.5857   1.2182   0.5799  350.654  132.565  462.852  130.515 -112.1982 186.0308 
1 1 1   12   26    4 f  327.329  114.124   0.5473   0.4222   1.2529   0.6058  -0.1190   0.5887  466.910  134.001  257.367  116.351 209.5434 177.4653 
1 1 1   12   26    5 o  297.013  118.091   0.3519   0.4831  -0.2510   0.7634   0.7545   0.6238  278.071  128.253  374.944  137.767 -96.87283 188.2249 
1 1 1   12   26    6 o  430.240  119.918   1.0336   0.4925   0.6456   0.7655   1.3076   0.6433  366.291  147.621  471.614  138.883 -105.3232 202.6828 
1 1 1   12   26    7 o  400.537  131.349   0.9192   0.5589   1.7834   0.9623   0.4792   0.6866  516.050  172.486  336.467  138.226 179.5829 221.0382 
1 1 1   12   26    8 o  335.908  124.777   0.5884   0.5142  -0.0888   0.8413   0.9924   0.6498  297.363  136.222  407.828  141.610 -110.4651 196.4939 
1 1 1   12   26    9 o  239.854  105.888   0.0197   0.4578  -0.1194   0.6135   0.1945   0.6878  255.893  116.889  297.811  130.688 -41.91818 175.3347 
1 1 1   12   26   10 o  245.571  109.341   0.0216   0.4985   0.2319   0.6435  -0.2941   0.7883  291.454  127.188  267.220  125.582 24.23361 178.7393 
1 1 1   12   26   11 o  268.922  118.886   0.1529   0.5791   0.8302   0.6960  -1.3711   1.0440  360.807  142.287  245.890  121.920 114.9165 187.3770 
1 1 1   12   26   12 o  162.642   80.967  -0.9504   0.4792  -1.4737   0.6387  -0.2767   0.7247  175.266   88.146  247.462  117.521 -72.19649 146.9043 
1 1 1   12   26   13 o  222.253   99.176   0.0699   0.4125  -0.0164   0.4849   0.2959   0.7849  225.085  103.226  284.858  130.891 -59.77272 166.6981 
1 1 1   12   26   14 o  236.026  104.826   0.1817   0.4553  -0.4198   0.5297   1.8835   0.8910  195.544   94.800  421.040  162.434 -225.4954 188.0742 
1 1 1   12   26   15 o  308.991  135.924   0.8813   0.7480   0.8813   0.7480   0.0000   0.0000  308.991  135.924  ?   ?  0.000000 135.9242 
1 1 1   12   28    0 o  382.967  135.822   0.7984   0.5998   1.3049   1.2831   0.6567   0.6786  460.940  189.115  364.484  141.434 96.45645 236.1528 
1 1 1   12   28    1 o  317.847  119.199   0.4797   0.4715   0.0119   0.6665   0.9482   0.6670  284.467  126.563  408.101  143.378 -123.6342 191.2467 
1 1 1   12   28    2 o  523.081  116.277   1.5006   0.5452   0.0903   0.7726   2.8989   0.7693  307.480  136.557  730.265  118.555 -422.7847 180.8403 
1 1 1   12   28    3 o  315.607  121.548   0.4626   0.4982   0.4991   0.7509   0.4339   0.6659  345.914  143.561  329.405  135.823 16.50897 197.6297 
1 1 1   12   28    4 o  243.497  109.606  -0.0811   0.5159   0.8528   0.9006  -0.5374   0.6295  394.014  159.649  229.229  109.056 164.7846 193.3418 
1 1 1   12   28    5 o  253.904  115.269  -0.1047   0.5851  -1.6030   0.9338   0.8638   0.7508  232.117  115.127  387.137  149.176 -155.0196 188.4349 
1 1 1   12   28    6 o  607.111  119.378   2.0856   0.6431   2.2272   1.0725   2.0060   0.8037  548.651  182.048  560.073  152.040 -11.42297 237.1869 
1 1 1   12   28    7 o  302.669  118.630   0.4437   0.4811   0.3019   0.6224   0.6542   0.7582  298.186  127.566  351.218  144.883 -53.03232 193.0394 
1 1 1   12   28    8 o  251.458  111.734   0.0601   0.5179  -0.3822   0.6114   1.1836   0.9745  229.275  108.609  405.116  165.351 -175.8410 197.8307 
1 1 1   12   28    9 o  193.222   93.786  -0.6053   0.5226  -1.1470   0.6188   0.7419   0.9758  185.701   92.375  351.273  154.856 -165.5723 180.3148 
1 1 1   12   28   10 o  333.150  133.456   0.7245   0.6215   0.6790   0.6996   0.8945   1.3538  327.734  137.494  352.757  165.393 -25.02274 215.0798 
1 1 1   12   28   11 o  676.004  103.672   2.7242   0.6243   3.0520   0.8946   2.4131   0.8716  626.218  155.872  531.162  162.863 95.05566 225.4339 
1 1 1   12   28   12 o  519.775  132.064   1.9777   0.6329   2.8295   0.8990   1.1407   0.8912  556.399  164.269  340.785  149.173 215.6141 221.8935 
1 1 1   12   28   13 o  332.501  135.901   1.0211   0.6595   0.9735   0.7774   1.1433   1.2454  316.848  138.993  309.745  148.965 7.102997 203.7391 
1 1 1   12   30    0 o  733.445   86.957   2.7599   0.5754   2.9698   0.7718   2.4972   0.8634  730.665  118.883  635.625  150.038 95.04041 191.4282 
1 1 1   12   30    1 o  260.784  117.911  -0.0568   0.6049  -2.0216   1.0800   0.8411   0.7301  239.054  119.408  380.478  146.969 -141.4242 189.3626 
1 1 1   12   30    2 o  880.794   99.137   4.1272   0.7895   6.2758   1.5384   3.3589   0.9199  954.213  181.845  748.868  138.602 205.3450 228.6439 
1 1 1   12   30    3 o  328.614  134.948   0.5238   0.6541   1.2488   1.2093   0.2239   0.7777  419.229  178.538  307.865  136.852 111.3640 224.9539 
1 1 1   12   30    4 o  605.152  131.926   2.2280   0.7139   3.2923   1.3607   1.8238   0.8386  605.673  205.097  507.690  160.403 97.98285 260.3727 
1 1 1   12   30    5 o  798.661   96.872   3.4721   0.6973   3.7570   0.8924   3.0253   1.1175  790.501  126.985  614.774  183.543 175.7265 223.1889 
1 1 1   12   30    6 o  477.649  133.956   1.4970   0.6126   1.8735   0.7684   0.8404   1.0148  510.983  152.114  358.766  158.051 152.2173 219.3605 
1 1 1   12   30    7 f  328.329  131.697   0.6829   0.6061   1.4563   0.7762  -0.5262   0.9705  429.247  154.258  262.602  127.541 166.6455 200.1550 
1 1 1   12   30    8 o  213.046  101.056  -0.2651   0.5328  -0.4336   0.7060  -0.0422   0.8120  229.675  110.884  265.793  125.689 -36.11778 167.6095 
1 1 1   12   30    9 o  421.635  147.463   1.5153   0.7052   1.7659   0.7960   0.6016   1.5199  438.874  156.379  313.705  153.908 125.1694 219.4129 
1 1 1   12   30   10 o  497.667  142.311   2.0141   0.6845   2.3758   0.9347   1.5958   1.0051  463.128  168.867  363.211  158.718 99.91727 231.7485 
1 1 1   12   30   11 o  165.058   83.827  -1.6345   0.6696  -1.1852   1.1430  -1.8692   0.8261  226.957  114.611  180.629   91.871 46.32867 146.8876 
1 1 1   12   32    0 o  597.849  109.664   2.0626   0.5811   2.1776   0.7427   1.8811   0.9329  574.586  141.425  482.689  169.567 91.89761 220.8028 
1 1 1   12   32    1 o  443.097  137.914   1.3341   0.6224   1.8958   0.8862   0.7875   0.8742  487.444  165.516  350.615  150.619 136.8290 223.7891 
1 1 1   12   32    2 o  342.603  139.389   0.7693   0.6897   1.6306   0.9379  -0.2454   1.0179  435.456  166.999  282.822  135.665 152.6341 215.1599 
1 1 1   12   32    3 o  235.431  110.490  -0.1740   0.6067  -0.1859   0.7368  -0.1489   1.0692  252.822  119.607  287.418  138.177 -34.59602 182.7533 
1 1 1   12   32    4 o  319.606  132.864   0.6701   0.6447   0.4228   0.8127   1.0896   1.0586  300.108  136.094  355.836  158.821 -55.72833 209.1551 
1 1 1   12   32    5 o  188.110   92.963  -0.8157   0.5890  -1.0211   0.8158  -0.5920   0.8514  214.677  106.668  236.648  115.914 -21.97076 157.5254 
1 1 1   12   32    6 o  198.817   99.129  -1.0366   0.7300  -1.4375   0.8354   0.2578   1.5011  199.758  100.509  297.931  147.449 -98.17325 178.4465 
1 1 1   12   32    7 o  276.560  126.434   0.4461   0.7197   0.2758   0.8171   1.0351   1.5195  268.179  126.592  310.335  152.583 -42.15610 198.2604 
1 1 1   12   32    8 f  404.559  170.358   2.4081   1.0806   2.4104   1.3836   2.4045   1.7303  357.605  167.517  332.104  163.192 25.50034 233.8665 
1 1 1   12   32    9 f  244.602  122.474  -0.3489   1.1678  -0.3489   1.1678   0.0000   0.0000  244.602  122.474  ?   ?  0.000000 122.4739 
1 1 1   12   34    0 o  278.196  128.310   0.3438   0.7640   0.3438   0.7640   0.0000   0.0000  278.196  128.310  ?   ?  0.000000 128.3097 
1 1 1   12   34    1 o  257.972  120.346   0.1648   0.7020  -0.1640   0.7594   2.0954   1.8401  241.674  116.253  345.762  169.576 -104.0875 205.5980 
1 1 1   12   34    2 o  252.441  120.498   0.0390   0.7820   0.5735   0.8834  -1.8945   1.6804  290.936  135.483  251.629  128.267 39.30739 186.5696 
1 1 1   12   34    3 o  229.503  112.064  -0.3194   0.7776   0.2670   0.8858  -2.2883   1.6231  267.451  127.826  239.027  122.196 28.42445 176.8370 
1 1 1   12   34    4 o  204.856  101.482  -0.6577   0.7174  -0.3156   0.8045  -1.9863   1.5853  228.799  112.195  237.326  121.281 -8.527634 165.2169 
1 1 1   13    1    0 f  1648.21   31.364   12.514   0.4757   11.725   0.6533   13.402   0.6939  1594.51   44.529  1704.76   44.236 -110.2468 62.76709 
1 1 1   13    1    1 o  1344.27   32.502   8.3245   0.4020   8.4276   0.5720   8.2239   0.5651  1351.71   45.992  1335.27   45.996 16.44141 65.04531 
1 1 1   13    1    2 o  981.618   34.126   4.4396   0.3082   4.6244   0.4437   4.2672   0.4285  1001.13   48.166  960.439   48.650 40.69366 68.45964 
1 1 1   13    1    3 o  1362.51   31.789   8.5524   0.3986   9.0111   0.5800   8.1420   0.5486  1397.63   45.097  1328.54   44.878 69.09155 63.62178 
1 1 1   13    1    4 o  459.034   42.719   0.9805   0.1784   0.9450   0.2469   1.0193   0.2579  447.790   61.553  465.323   61.771 -17.53360 87.20270 
1 1 1   13    1    5 o  683.897   37.472   2.1645   0.2349   2.5738   0.3468   1.8176   0.3193  744.253   50.951  624.028   56.211 120.2251 75.86630 
1 1 1   13    1    6 o  375.002   53.488   0.6652   0.1793   0.6152   0.2452   0.7228   0.2630  355.943   77.086  386.543   76.654 -30.59991 108.7108 
1 1 1   13    1    7 o  1409.98   41.290   9.2132   0.5357   10.477   0.9633   8.6473   0.6446  1493.46   70.095  1363.30   51.384 130.1648 86.91139 
1 1 1   13    1    8 o  550.493   57.998   1.4356   0.2894   1.2214   0.3459   1.9345   0.5280  501.529   77.456  626.872   94.473 -125.3431 122.1661 
1 1 1   13    1    9 o  542.581   52.970   1.3943   0.2611   1.4459   0.3763   1.3465   0.3625  544.190   77.330  524.812   77.393 19.37860 109.4055 
1 1 1   13    1   10 o  380.315   82.664   0.7306   0.2810   0.8345   0.3564   0.5598   0.4570  401.509   97.448  337.221  118.662 64.28812 153.5470 
1 1 1   13    1   11 o  1562.00   49.782   11.525   0.7155   11.704   1.2579   11.440   0.8700  1527.79   89.874  1545.99   61.155 -18.19971 108.7069 
1 1 1   13    1   12 o  286.203   95.949   0.4096   0.2978  -0.0918   0.4634   0.7622   0.3886  231.905  104.179  375.658  107.167 -143.7536 149.4590 
1 1 1   13    1   13 o  906.072   55.684   3.9337   0.4620   3.5216   0.6783   4.2903   0.6310  831.034   90.151  932.368   74.163 -101.3343 116.7363 
1 1 1   13    1   14 o  1489.61   41.733   10.427   0.5720   10.223   0.7404   10.730   0.9010  1463.69   54.972  1488.11   65.799 -24.41650 85.73997 
1 1 1   13    1   15 o  199.287   85.102   0.0375   0.2761   0.2838   0.3811  -0.2347   0.4006  268.973  105.537  199.951   92.462 69.02205 140.3117 
1 1 1   13    1   16 o  290.998  103.066   0.4065   0.3453   0.0788   0.4019   1.3302   0.6747  240.428  102.672  477.398  142.641 -236.9709 175.7500 
1 1 1   13    1   17 o  737.426   67.179   2.6355   0.4508   2.5560   0.5308   2.8415   0.8542  717.527   81.859  716.023  134.591 1.504822 157.5301 
1 1 1   13    1   18 o  899.454   54.340   3.8528   0.4476   3.6913   0.6106   4.0404   0.6581  865.420   77.502  903.762   79.962 -38.34204 111.3576 
1 1 1   13    1   19 o  714.809  103.515   2.6939   0.6610   2.2826   0.9075   3.1589   0.9648  602.516  160.725  728.623  148.933 -126.1063 219.1199 
1 1 1   13    1   20 o  602.714   80.474   1.8592   0.4352   1.5093   0.5913   2.2724   0.6427  504.623  127.348  637.692  113.692 -133.0688 170.7145 
1 1 1   13    1   21 o  196.506   91.507  -0.2057   0.4030  -0.5012   0.4957   0.3700   0.6919  194.406   93.619  302.908  132.045 -108.5019 161.8653 
1 1 1   13    1   22 o  230.650  103.458   0.0695   0.4552   0.5251   0.7518  -0.1943   0.5720  305.546  135.248  225.260  106.203 80.28571 171.9624 
1 1 1   13    3    0 o  1995.58   30.530   18.342   0.5606   18.628   0.8027   18.071   0.7833  2009.92   43.400  1979.67   43.001 30.25208 61.09538 
1 1 1   13    3    1 o  784.454   35.388   2.8355   0.2554   2.8633   0.3694   2.8099   0.3536  785.986   51.360  778.783   49.603 7.203552 71.40237 
1 1 1   13    3    2 o  1563.66   31.097   11.263   0.4474   10.736   0.6287   11.803   0.6369  1525.69   44.785  1599.81   43.265 -74.11743 62.26974 
1 1 1   13    3    3 o  443.524   43.638   0.9161   0.1758   0.9886   0.2561   0.8516   0.2417  458.170   62.366  424.388   63.879 33.78287 89.27558 
1 1 1   13    3    4 o  730.187   35.460   2.4581   0.2383   2.4107   0.3344   2.5070   0.3395  720.566   50.762  734.908   50.514 -14.34119 71.61292 
1 1 1   13    3    5 o  879.462   39.746   3.5712   0.3216   3.9139   0.5456   3.3887   0.3982  915.699   65.179  854.232   50.889 61.46735 82.69244 
1 1 1   13    3    6 o  1078.94   40.544   5.3842   0.4025   4.9988   0.6576   5.6151   0.5090  1032.08   69.650  1100.27   50.278 -68.18994 85.90120 
1 1 1   13    3    7 o  835.157   46.487   3.2504   0.3558   2.9390   0.6167   3.4057   0.4356  781.468   87.258  852.585   55.839 -71.11694 103.5951 
1 1 1   13    3    8 o  771.886   50.137   2.7935   0.3542   2.4715   0.6131   2.9548   0.4339  708.051   96.630  790.780   60.079 -82.72858 113.7838 
1 1 1   13    3    9 o  919.532   61.240   4.0177   0.5152   4.0177   0.5152   0.0000   0.0000  919.532   61.240  ?   ?  0.000000 61.23995 
1 1 1   13    3   10 o  221.616   82.327   0.1972   0.2239  -0.2262   0.2943   0.7788   0.3449  168.780   78.463  387.455   96.967 -218.6755 124.7361 
1 1 1   13    3   11 o  431.001   77.227   0.9328   0.2950   0.7907   0.4410   1.0480   0.3970  381.972  115.581  446.527   99.189 -64.55487 152.3075 
1 1 1   13    3   12 o  368.727   81.002   0.6968   0.2673   0.5510   0.3460   0.9125   0.4210  324.133  103.107  409.215  109.605 -85.08200 150.4799 
1 1 1   13    3   13 o  140.708   66.574  -0.2384   0.2284  -0.2515   0.3151  -0.2240   0.3315  171.497   80.210  179.942   83.525 -8.445068 115.8020 
1 1 1   13    3   14 o  451.852   75.995   1.0272   0.3048   1.0514   0.3909   0.9897   0.4867  445.549   98.004  420.226  119.946 25.32309 154.8928 
1 1 1   13    3   15 o  729.946   56.029   2.5560   0.3735   2.3164   0.4759   2.9402   0.6025  682.418   77.141  761.816   87.547 -79.39795 116.6840 
1 1 1   13    3   16 o  279.042   96.125   0.3763   0.2991   0.7174   0.3990  -0.0614   0.4519  366.465  109.729  234.014  104.159 132.4511 151.2929 
1 1 1   13    3   17 o  1096.64   48.551   5.6667   0.4899   6.0548   0.6827   5.2547   0.7034  1120.35   66.526  1037.66   74.161 82.69104 99.62691 
1 1 1   13    3   18 o  330.666  109.610   0.5653   0.3888   0.8151   0.5558   0.3259   0.5442  386.219  131.074  303.347  123.658 82.87268 180.1986 
1 1 1   13    3   19 o  782.020   63.946   2.9754   0.4561   3.3705   0.6305   2.5415   0.6607  816.068   85.216  689.802  107.604 126.2662 137.2600 
1 1 1   13    3   20 o  493.289  130.943   1.4712   0.6043   1.4712   0.6043   0.0000   0.0000  493.289  130.943  ?   ?  0.000000 130.9425 
1 1 1   13    3   21 o  285.166  114.948   0.3979   0.4642   0.6708   0.5422  -0.3513   0.8985  333.169  127.168  269.461  128.773 63.70871 180.9808 
1 1 1   13    3   22 f  172.360   84.216  -0.5652   0.4412  -0.7255   0.7071  -0.4630   0.5646  213.910  104.953  204.569   98.859 9.341492 144.1810 
1 1 1   13    5    0 o  1683.51   30.208   13.054   0.4680   12.898   0.6620   13.210   0.6616  1672.50   43.016  1692.62   42.477 -20.12122 60.45322 
1 1 1   13    5    1 o  927.993   33.056   3.9675   0.2823   4.2290   0.4204   3.7527   0.3809  957.388   47.718  900.783   46.111 56.60486 66.35676 
1 1 1   13    5    2 o  2008.25   35.740   18.587   0.6604   18.139   1.2772   18.751   0.7716  1979.08   70.135  2016.46   41.586 -37.38037 81.53687 
1 1 1   13    5    3 o  962.836   39.184   4.2753   0.3472   4.0704   0.6735   4.3495   0.4051  932.812   79.218  970.760   45.353 -37.94824 91.28178 
1 1 1   13    5    4 o  1000.21   38.115   4.6161   0.3508   4.5642   0.5827   4.6456   0.4393  989.898   64.316  1002.59   47.623 -12.69196 80.02820 
1 1 1   13    5    5 o  344.954   56.678   0.5664   0.1737   0.6601   0.2430   0.4686   0.2482  369.710   74.025  311.017   84.522 58.69272 112.3548 
1 1 1   13    5    6 o  1133.88   35.589   5.9438   0.3713   5.6246   0.5135   6.2937   0.5376  1100.29   50.716  1164.01   50.192 -63.72437 71.35428 
1 1 1   13    5    7 o  273.426   73.097   0.3657   0.1875   0.2139   0.2599   0.5304   0.2707  237.744   88.623  327.383   87.970 -89.63872 124.8708 
1 1 1   13    5    8 o  590.011   53.241   1.6438   0.2859   1.6656   0.3380   1.5888   0.5364  590.928   63.131  558.870  108.210 32.05847 125.2791 
1 1 1   13    5    9 o  441.682   72.302   0.9572   0.2837   0.7510   0.3357   1.4726   0.5306  382.674   95.606  530.874  112.135 -148.2004 147.3593 
1 1 1   13    5   10 o  151.887   68.748  -0.0967   0.2063   0.1836   0.2770  -0.4455   0.3090  230.245   90.079  151.749   73.286 78.49597 116.1253 
1 1 1   13    5   11 o  446.358   68.770   0.9846   0.2734   0.8381   0.3602   1.1835   0.4198  397.944   98.827  474.285   99.377 -76.34128 140.1514 
1 1 1   13    5   12 o  1352.35   45.491   8.6261   0.5661   8.4355   0.8032   8.8142   0.7979  1317.71   66.456  1350.67   64.204 -32.96021 92.40427 
1 1 1   13    5   13 o  410.154   78.302   0.8544   0.2847   0.5325   0.3617   1.3788   0.4617  319.417  105.715  509.205  102.085 -189.7888 146.9593 
1 1 1   13    5   14 o  783.530   51.691   2.9288   0.3706   2.7739   0.4764   3.1660   0.5897  751.700   69.671  794.255   81.857 -42.55548 107.4919 
1 1 1   13    5   15 o  623.104   62.696   1.8846   0.3546   1.8964   0.4572   1.8667   0.5617  613.439   83.146  592.599  106.939 20.84003 135.4590 
1 1 1   13    5   16 o  328.986   92.331   0.5605   0.2909   0.8038   0.3992   0.2850   0.4248  387.707  107.930  278.577  110.751 109.1303 154.6432 
1 1 1   13    5   17 o  1262.45   46.461   7.4963   0.5397   8.1280   0.7554   6.8375   0.7714  1302.69   63.020  1186.80   70.962 115.8931 94.90612 
1 1 1   13    5   18 o  793.411   68.121   3.0655   0.4925   2.5615   0.7562   3.4368   0.6490  682.828  124.958  826.845   86.590 -144.0170 152.0272 
1 1 1   13    5   19 o  496.926   87.110   1.2749   0.3838   1.2274   0.5520   1.3194   0.5340  461.267  126.330  482.961  120.543 -21.69397 174.6137 
1 1 1   13    5   20 o  185.458   88.313  -0.3905   0.4148  -1.0631   0.4840   1.4697   0.8049  161.992   80.760  460.413  157.731 -298.4216 177.2045 
1 1 1   13    5   21 o  714.080   71.902   2.6226   0.4660   2.8013   0.7024   2.4822   0.6228  686.360  115.312  655.883  106.879 30.47656 157.2262 
1 1 1   13    5   22 o  415.281  108.846   1.0853   0.4210   1.3641   0.6216   0.8490   0.5722  423.618  138.501  341.983  130.608 81.63449 190.3709 
1 1 1   13    7    0 o  1979.91   40.647   18.074   0.7405   18.355   0.8940   17.460   1.3218  1994.31   48.716  1941.13   74.005 53.17847 88.60003 
1 1 1   13    7    1 o  929.991   45.659   3.9909   0.3907   4.2968   0.4716   3.3214   0.6978  962.978   53.431  839.845   91.784 123.1330 106.2035 
1 1 1   13    7    2 o  1311.09   32.423   7.9222   0.3912   7.8989   0.6141   7.9381   0.5074  1307.51   51.044  1311.64   42.040 -4.127563 66.12727 
1 1 1   13    7    3 o  1552.79   30.792   11.115   0.4400   10.607   0.6088   11.669   0.6365  1515.46   43.661  1589.52   43.517 -74.05518 61.64429 
1 1 1   13    7    4 o  906.692   34.335   3.7941   0.2865   3.9106   0.3982   3.6691   0.4124  918.027   47.296  888.591   50.652 29.43555 69.30045 
1 1 1   13    7    5 o  529.600   43.161   1.3075   0.2085   1.1623   0.2749   1.5041   0.3199  495.609   61.609  564.487   62.648 -68.87833 87.86653 
1 1 1   13    7    6 o  828.110   38.003   3.1771   0.2896   3.3997   0.3525   2.7152   0.5077  854.304   45.006  754.984   74.035 99.31989 86.64175 
1 1 1   13    7    7 o  313.220   71.721   0.4830   0.2023   0.4832   0.2388   0.4823   0.3806  312.145   82.049  320.024  108.466 -7.879364 136.0034 
1 1 1   13    7    8 f  634.189   43.188   1.8849   0.2505   2.2470   0.3350   1.4256   0.3773  689.577   53.215  539.462   78.297 150.1149 94.66883 
1 1 1   13    7    9 o  827.396   40.971   3.1985   0.3119   3.0677   0.4026   3.3948   0.4934  803.802   54.761  840.946   64.242 -37.14423 84.41460 
1 1 1   13    7   10 o  620.487   63.782   1.8657   0.3590   1.8038   0.4405   1.9879   0.6194  600.535   81.846  609.032  114.739 -8.496582 140.9387 
1 1 1   13    7   11 o  574.219   53.107   1.5799   0.2774   2.0893   0.3914   1.0657   0.3932  654.362   65.908  449.402   97.867 204.9598 117.9908 
1 1 1   13    7   12 o  857.951   52.911   3.5155   0.4157   3.1831   0.5920   3.8388   0.5838  796.234   81.966  882.815   72.510 -86.58118 109.4358 
1 1 1   13    7   13 o  746.504   48.804   2.6501   0.3334   2.8625   0.4720   2.4386   0.4710  764.727   67.782  701.367   74.097 63.35956 100.4227 
1 1 1   13    7   14 o  270.676   89.142   0.3650   0.2573   0.2822   0.3592   0.4523   0.3689  264.566  102.832  301.466  106.551 -36.89990 148.0798 
1 1 1   13    7   15 o  410.361   78.722   0.8521   0.2864   0.3168   0.3616   1.7535   0.4693  273.015  103.937  585.929   89.908 -312.9144 137.4272 
1 1 1   13    7   16 o  708.374   57.100   2.4012   0.3690   2.1781   0.5215   2.6249   0.5223  657.235   88.483  728.357   79.202 -71.12262 118.7527 
1 1 1   13    7   17 o  489.614   88.027   1.2205   0.3820   1.8936   0.6164   0.8007   0.4868  593.151  117.085  384.341  122.292 208.8107 169.3051 
1 1 1   13    7   18 o  1048.52   51.346   5.2151   0.4954   4.2454   0.6638   6.4344   0.7443  924.814   78.750  1147.38   70.845 -222.5642 105.9273 
1 1 1   13    7   19 o  1324.72   48.919   8.3460   0.5963   8.5005   0.8280   8.1795   0.8594  1314.85   68.678  1284.39   73.022 30.46777 100.2441 
1 1 1   13    7   20 o  522.743   98.518   1.5008   0.4565   1.4067   0.5593   1.6885   0.7901  480.893  125.180  490.393  155.775 -9.499512 199.8397 
1 1 1   13    7   21 o  754.261   81.643   3.0404   0.5576   2.5651   0.7887   3.5153   0.7884  609.866  143.020  761.773  116.153 -151.9066 184.2451 
1 1 1   13    7   22 o  307.467  112.421   0.6168   0.4147   0.0613   0.5668   1.2564   0.6083  241.116  110.955  401.236  137.119 -160.1201 176.3881 
1 1 1   13    9    0 o  1285.08   58.243   7.6429   0.6887   7.2278   0.9530   8.0967   0.9964  1243.07   83.808  1316.25   82.689 -73.17908 117.7336 
1 1 1   13    9    1 o  1033.12   61.036   4.9640   0.5777   5.6012   0.8516   4.4210   0.7862  1092.26   85.411  968.695   89.203 123.5620 123.4998 
1 1 1   13    9    2 o  618.914   36.200   1.7739   0.2053   1.7312   0.2169   2.1405   0.6358  611.109   38.768  665.240  107.543 -54.13159 114.3173 
1 1 1   13    9    3 o  730.925   29.620   2.4644   0.1992   2.3945   0.2491   2.5884   0.3318  718.917   37.791  745.901   48.605 -26.98456 61.56769 
1 1 1   13    9    4 o  227.795   63.072   0.2496   0.1367   0.1872   0.1722   0.3560   0.2248  210.057   72.908  273.301   82.490 -63.24312 110.0915 
1 1 1   13    9    5 o  577.576   41.145   1.5551   0.2172   1.4974   0.2563   1.7022   0.4094  564.978   49.811  595.403   76.491 -30.42505 91.27990 
1 1 1   13    9    6 o  931.814   34.242   4.0227   0.2936   3.6994   0.3657   4.6087   0.4924  890.312   44.786  990.809   54.211 -100.4966 70.31792 
1 1 1   13    9    7 o  403.829   52.996   0.7778   0.1922   0.9682   0.2642   0.5639   0.2801  447.308   66.180  334.549   89.308 112.7583 111.1564 
1 1 1   13    9    8 f  549.093   43.960   1.4195   0.2202   1.5328   0.3064   1.2982   0.3168  565.457   59.790  516.715   68.314 48.74133 90.78358 
1 1 1   13    9    9 o  1143.16   34.528   6.0868   0.3632   6.2616   0.5196   5.9197   0.5079  1152.34   49.000  1120.29   49.271 32.04688 69.48776 
1 1 1   13    9   10 f  275.514   87.891   0.3810   0.2513   0.5763   0.3341   0.1267   0.3813  331.076  100.706  242.140  101.540 88.93571 143.0111 
1 1 1   13    9   11 o  596.626   49.335   1.6971   0.2684   1.8451   0.3765   1.5442   0.3828  613.034   67.878  555.350   76.981 57.68457 102.6328 
1 1 1   13    9   12 o  230.266   86.017   0.2223   0.2451   0.5948   0.3286  -0.2443   0.3678  334.720   99.445  188.896   87.781 145.8243 132.6453 
1 1 1   13    9   13 o  549.254   59.609   1.4640   0.2964   1.4270   0.4177   1.5015   0.4208  526.007   89.498  541.061   87.506 -15.05347 125.1685 
1 1 1   13    9   14 o  176.575   78.454  -0.0559   0.2553  -0.0895   0.3571  -0.0208   0.3652  204.196   91.608  215.645   94.912 -11.44890 131.9105 
1 1 1   13    9   15 o  523.624   74.796   1.3608   0.3501   2.4152   0.6069   0.8347   0.4287  683.356   99.426  392.475  112.745 290.8813 150.3230 
1 1 1   13    9   16 o  1354.33   52.628   8.6837   0.6559   9.1292   0.9607   8.2949   0.8976  1365.35   76.781  1302.92   75.184 62.43079 107.4611 
1 1 1   13    9   17 o  621.080   65.884   1.8773   0.3708   1.2371   0.5076   2.6098   0.5429  475.631  116.819  722.386   83.200 -246.7552 143.4187 
1 1 1   13    9   18 o  1389.61   47.016   9.1327   0.6012   8.9649   0.8395   9.3093   0.8613  1357.66   67.201  1382.96   67.682 -25.30005 95.37746 
1 1 1   13    9   19 o  579.221   87.924   1.7524   0.4539   1.5347   0.5587   2.1752   0.7786  515.426  120.028  589.744  144.585 -74.31720 187.9141 
1 1 1   13    9   20 o  236.414   99.957   0.1625   0.3744   0.7708   0.5358  -0.4182   0.5235  351.899  127.922  206.518   98.582 145.3810 161.5012 
1 1 1   13    9   21 o  511.234  118.666   1.6668   0.5475   2.3244   0.7670   0.9837   0.7818  562.308  146.692  354.111  146.684 208.1965 207.4482 
1 1 1   13   11    0 o  1168.76   62.703   6.3717   0.6719   6.1861   0.9245   6.5796   0.9782  1143.83   88.524  1179.00   90.864 -35.17798 126.8572 
1 1 1   13   11    1 o  543.806   93.939   1.4354   0.4531   1.8420   0.6255   0.9864   0.6572  610.891  115.499  449.072  142.012 161.8188 183.0506 
1 1 1   13   11    2 o  380.583   63.122   0.6934   0.2133   0.6934   0.2133   0.0000   0.0000  380.583   63.122  ?   ?  0.000000 63.12204 
1 1 1   13   11    3 o  806.237   32.076   3.0044   0.2380   3.1606   0.2739   2.5240   0.4804  826.439   36.023  728.788   72.596 97.65094 81.04178 
1 1 1   13   11    4 o  615.633   32.592   1.7584   0.1840   1.3813   0.2398   2.2978   0.2868  542.453   48.557  701.621   44.656 -159.1679 65.96899 
1 1 1   13   11    5 o  667.138   32.907   2.0616   0.2020   1.6466   0.2773   2.5305   0.2948  591.223   51.495  735.980   43.731 -144.7573 67.55808 
1 1 1   13   11    6 o  683.844   35.866   2.1782   0.2249   2.3668   0.3177   1.9888   0.3184  709.241   48.979  648.311   53.865 60.93042 72.80377 
1 1 1   13   11    7 o  438.325   48.162   0.9124   0.1911   0.8554   0.2670   0.9723   0.2735  416.349   72.312  445.784   68.900 -29.43488 99.88116 
1 1 1   13   11    8 o  358.057   62.197   0.6289   0.1975   0.7139   0.2794   0.5440   0.2792  374.270   83.265  325.001   90.189 49.26877 122.7478 
1 1 1   13   11    9 o  284.378   78.254   0.4115   0.2112   0.5593   0.3037   0.2731   0.2939  327.120   95.172  252.426   94.219 74.69394 133.9214 
1 1 1   13   11   10 o  363.464   87.510   0.6883   0.2892   0.9788   0.3969   0.3596   0.4221  427.164  102.324  288.598  111.676 138.5667 151.4653 
1 1 1   13   11   11 o  407.761   71.131   0.8326   0.2572   0.3216   0.3508   1.4266   0.3782  270.789  102.536  531.526   79.793 -260.7369 129.9252 
1 1 1   13   11   12 f  212.319   84.650   0.1442   0.2488   0.4195   0.3468  -0.1478   0.3572  291.638  103.294  196.492   89.536 95.14639 136.6982 
1 1 1   13   11   13 o  219.079   89.781   0.1264   0.2888   0.1374   0.4264   0.1171   0.3925  252.497  106.705  242.197  102.365 10.30026 147.8670 
1 1 1   13   11   14 o  622.263   57.963   1.8650   0.3281   1.6980   0.4657   2.0297   0.4623  575.420   90.970  636.609   80.732 -61.18890 121.6266 
1 1 1   13   11   15 o  454.682   88.175   1.0573   0.3556   1.1432   0.5911   1.0085   0.4452  449.387  133.335  432.555  111.221 16.83228 173.6323 
1 1 1   13   11   16 o  1261.08   49.740   7.5117   0.5772   6.8298   0.8841   8.0182   0.7620  1173.99   82.365  1291.87   64.099 -117.8781 104.3676 
1 1 1   13   11   17 o  332.315  101.198   0.5827   0.3373   0.3583   0.4580   0.8484   0.4984  294.010  115.594  390.361  123.700 -96.35074 169.3033 
1 1 1   13   11   18 o  935.391   65.160   4.2821   0.5573   4.2333   0.7026   4.3650   0.9153  911.619   84.731  892.623  114.041 18.99524 142.0725 
1 1 1   13   11   19 o  450.661   98.638   1.1219   0.3977   1.4475   0.5391   0.7332   0.5890  494.511  119.751  351.485  132.925 143.0255 178.9113 
1 1 1   13   11   20 o  224.341   98.455   0.0811   0.3904   0.2509   0.5375  -0.1086   0.5681  268.197  116.655  236.074  109.497 32.12236 159.9936 
1 1 1   13   11   21 o  358.142  132.761   0.9724   0.5816   1.3911   0.7366   0.2795   0.9475  400.644  149.237  288.413  136.197 112.2309 202.0430 
1 1 1   13   13    0 o  884.832   41.476   3.6304   0.3377   3.6304   0.3377   0.0000   0.0000  884.832   41.476  ?   ?  0.000000 41.47589 
1 1 1   13   13    1 o  809.711   38.140   3.0381   0.2842   3.0364   0.3035   3.0498   0.8093  808.043   40.951  781.909  116.000 26.13330 123.0159 
1 1 1   13   13    2 o  617.112   46.298   1.7824   0.2610   1.6994   0.2795   2.3467   0.7288  601.396   50.992  679.412  121.013 -78.01599 131.3171 
1 1 1   13   13    3 f  824.085   30.137   3.1420   0.2285   3.3535   0.2880   2.7828   0.3754  850.193   36.818  769.222   53.373 80.97119 64.84034 
1 1 1   13   13    4 o  731.220   34.762   2.4812   0.2339   2.7220   0.2935   2.0621   0.3872  763.295   41.949  656.784   64.914 106.5101 77.28897 
1 1 1   13   13    5 o  795.777   32.227   2.9384   0.2360   2.9574   0.3367   2.9201   0.3309  793.492   46.309  788.632   45.794 4.859619 65.12774 
1 1 1   13   13    6 o  853.622   33.337   3.3878   0.2619   3.7257   0.3805   3.0837   0.3609  889.614   46.642  808.265   48.757 81.34930 67.47421 
1 1 1   13   13    7 o  410.882   52.859   0.8117   0.1952   0.7864   0.2829   0.8348   0.2697  393.826   80.770  408.672   74.476 -14.84625 109.8659 
1 1 1   13   13    8 o  158.201   68.983  -0.0175   0.1890   0.0395   0.2731  -0.0699   0.2617  198.885   84.777  176.831   78.942 22.05402 115.8406 
1 1 1   13   13    9 o  676.892   44.801   2.1691   0.2775   2.8112   0.4159   1.6542   0.3725  762.972   59.718  578.023   71.557 184.9497 93.20222 
1 1 1   13   13   10 o  375.377   86.119   0.7328   0.2911   0.4166   0.3862   1.1490   0.4431  294.748  108.385  460.192  106.713 -165.4440 152.1019 
1 1 1   13   13   11 o  630.086   53.178   1.9043   0.3054   1.6080   0.4121   2.2652   0.4549  563.245   81.922  675.001   74.484 -111.7557 110.7208 
1 1 1   13   13   12 o  646.405   53.615   2.0042   0.3160   1.9391   0.4312   2.0797   0.4645  622.766   76.874  642.974   80.262 -20.20734 111.1382 
1 1 1   13   13   13 o  279.424  100.435   0.3700   0.3290   0.0588   0.4629   0.6880   0.4678  249.975  108.492  357.188  120.264 -107.2127 161.9690 
1 1 1   13   13   14 o  995.857   46.726   4.6723   0.4282   4.1198   0.5760   5.3547   0.6401  920.688   68.482  1051.77   66.483 -131.0844 95.44497 
1 1 1   13   13   15 f  217.023   93.874   0.0192   0.3442  -0.3227   0.5479   0.2421   0.4424  230.753  107.204  274.324  111.625 -43.57080 154.7669 
1 1 1   13   13   16 o  570.138   73.977   1.6110   0.3789   1.2296   0.5110   2.0772   0.5649  472.003  117.972  630.803  100.713 -158.7995 155.1145 
1 1 1   13   13   17 o  796.311   85.895   3.2283   0.6194   3.2283   0.6194   0.0000   0.0000  796.311   85.895  ?   ?  0.000000 85.89509 
1 1 1   13   13   18 f  1463.75   61.122   10.454   0.8233   10.835   0.9258   9.0150   1.7995  1480.21   67.973  1144.23  176.597 335.9750 189.2267 
1 1 1   13   13   19 o  507.040   95.205   1.4253   0.4279   1.1899   0.5868   1.6927   0.6253  423.055  134.232  513.178  131.745 -90.12292 188.0823 
1 1 1   13   13   20 o  262.975  105.845   0.3583   0.3930   1.1578   0.5640  -0.3965   0.5479  401.221  131.959  205.926   98.979 195.2953 164.9545 
1 1 1   13   15    0 o  847.462   32.851   3.3275   0.2562   3.4660   0.3492   3.1661   0.3770  861.404   44.204  821.401   50.113 40.00311 66.82315 
1 1 1   13   15    1 o  1242.32   31.673   7.1505   0.3621   7.4728   0.5103   6.8239   0.5138  1266.00   43.807  1208.89   46.187 57.10413 63.65699 
1 1 1   13   15    2 o  345.486   56.587   0.5761   0.1737   0.6709   0.2490   0.4862   0.2424  367.700   76.090  311.447   83.048 56.25345 112.6355 
1 1 1   13   15    3 o  1165.82   29.894   6.3003   0.3207   6.1792   0.3916   6.5467   0.5587  1152.30   36.937  1179.76   51.462 -27.46582 63.34583 
1 1 1   13   15    4 o  493.291   44.875   1.1495   0.2015   1.0072   0.2454   1.4439   0.3530  456.814   59.808  542.965   72.453 -86.15173 93.94912 
1 1 1   13   15    5 o  764.903   38.645   2.7400   0.2711   2.4126   0.3316   3.4004   0.4709  713.009   50.872  841.581   61.232 -128.5714 79.60743 
1 1 1   13   15    6 o  523.324   51.805   1.3096   0.2462   1.4974   0.3071   0.9721   0.4118  555.990   61.029  425.925  105.604 130.0653 121.9707 
1 1 1   13   15    7 o  245.933   84.168   0.2881   0.2292   0.4817   0.2800  -0.1044   0.3988  304.931   92.072  213.879   96.310 91.05247 133.2400 
1 1 1   13   15    8 f  418.280   62.724   0.8602   0.2340   0.5425   0.3237   1.2076   0.3385  320.951   99.400  489.434   77.770 -168.4836 126.2082 
1 1 1   13   15    9 o  265.555   81.593   0.3569   0.2186   0.5207   0.3153   0.2053   0.3034  314.861   98.188  238.042   93.927 76.81891 135.8794 
1 1 1   13   15   10 o  484.155   73.425   1.1731   0.3168   0.9771   0.3883   1.5640   0.5482  426.739  100.531  532.228  115.276 -105.4890 152.9544 
1 1 1   13   15   11 o  606.852   54.795   1.7717   0.3027   1.7511   0.4160   1.7948   0.4413  590.244   78.534  594.931   82.856 -4.686401 114.1613 
1 1 1   13   15   12 o  539.664   68.310   1.4338   0.3316   1.8671   0.4343   0.8283   0.5135  610.358   79.204  385.248  125.878 225.1100 148.7232 
1 1 1   13   15   13 o  243.270  108.080  -0.0432   0.4844  -0.2013   0.7848   0.0542   0.6157  286.405  131.336  280.520  123.361 5.885406 180.1861 
1 1 1   13   15   14 o  736.365   63.608   2.6214   0.4268   3.3816   0.7047   2.1813   0.5363  813.459   96.001  654.721   91.516 158.7385 132.6325 
1 1 1   13   15   15 o  887.387   52.238   3.7484   0.4247   3.4115   0.5787   4.1414   0.6251  830.711   76.570  917.292   74.708 -86.58112 106.9777 
1 1 1   13   15   16 o  857.919   56.169   3.5380   0.4410   4.0844   0.6347   3.0282   0.6131  905.573   76.897  769.930   88.125 135.6426 116.9583 
1 1 1   13   15   17 o  394.757  108.927   0.8793   0.4086   1.1543   0.5292   0.4735   0.6428  441.175  124.786  322.798  133.305 118.3775 182.5977 
1 1 1   13   15   18 o  185.175   87.334  -0.2855   0.3874   0.0020   0.5517  -0.5650   0.5440  248.739  112.526  201.350   97.239 47.38857 148.7195 
1 1 1   13   15   19 o  713.168   75.046   2.6801   0.4851   2.3784   0.6644   3.0245   0.7099  612.769  122.120  706.127  113.071 -93.35791 166.4278 
1 1 1   13   15   20 o  410.549  114.262   1.1264   0.4475   1.2214   0.6191   1.0224   0.6476  388.105  137.945  352.359  137.768 35.74591 194.9586 
1 1 1   13   17    0 o  327.735   59.927   0.5245   0.1741   0.5791   0.2240   0.4412   0.2766  340.683   73.602  297.137   91.846 43.54605 117.6981 
1 1 1   13   17    1 o  157.061   66.867   0.0113   0.1695   0.0487   0.2304  -0.0328   0.2503  188.349   78.953  180.142   78.952 8.207336 111.6556 
1 1 1   13   17    2 o  640.713   46.010   1.9379   0.2694   1.9248   0.3757   1.9517   0.3867  630.384   65.728  634.050   67.310 -3.665833 94.07915 
1 1 1   13   17    3 o  691.224   59.396   2.2958   0.3741   2.1190   0.4035   3.3769   0.9980  659.903   67.402  767.076  146.744 -107.1739 161.4836 
1 1 1   13   17    4 o  503.555   58.826   1.2268   0.2674   1.0154   0.3680   1.4635   0.3894  441.659   93.455  539.649   80.907 -97.98999 123.6115 
1 1 1   13   17    5 o  208.831   77.321   0.1795   0.1971  -0.1001   0.2344   0.8545   0.3643  161.960   73.302  400.642   99.315 -238.6819 123.4369 
1 1 1   13   17    6 o  438.353   62.224   0.9420   0.2439   1.2168   0.3075   0.4759   0.4006  495.758   69.312  308.825  110.836 186.9336 130.7241 
1 1 1   13   17    7 o  558.867   55.661   1.5065   0.2824   1.2679   0.3370   2.0693   0.5176  502.882   75.137  633.359   91.465 -130.4776 118.3695 
1 1 1   13   17    8 o  270.463   93.741   0.3578   0.2847   0.4647   0.3097  -0.2241   0.7224  299.896   97.751  270.149  124.657 29.74628 158.4126 
1 1 1   13   17    9 o  461.097   82.602   1.0882   0.3376   1.0124   0.3662   1.5177   0.8719  438.378   93.618  482.458  164.176 -44.08008 188.9923 
1 1 1   13   17   10 o  905.839   54.810   3.9324   0.4547   3.4674   0.6003   4.5582   0.6964  832.487   79.327  954.577   80.025 -122.0905 112.6800 
1 1 1   13   17   11 o  156.855   74.207  -0.2859   0.2836   0.0645   0.3664  -0.8099   0.4481  228.309   97.778  168.425   82.819 59.88376 128.1383 
1 1 1   13   17   12 o  204.717   87.757   0.0321   0.2956  -0.1315   0.4567   0.1501   0.3879  226.635  102.467  247.829  103.043 -21.19376 145.3184 
1 1 1   13   17   13 o  846.363   71.814   3.5045   0.5540   3.1407   1.0037   3.6639   0.6644  728.229  154.574  855.092   85.586 -126.8635 176.6864 
1 1 1   13   17   14 o  481.803   78.582   1.1676   0.3364   1.1594   0.4602   1.1769   0.4929  462.748  109.742  462.513  116.014 0.2347107 159.6952 
1 1 1   13   17   15 o  773.837   59.590   2.8971   0.4211   2.3685   0.5521   3.6322   0.6510  677.952   90.776  846.745   84.688 -168.7930 124.1466 
1 1 1   13   17   16 o  397.497  104.980   0.8797   0.3897   0.8722   0.4813   0.8940   0.6640  386.742  121.429  384.324  141.978 2.417633 186.8228 
1 1 1   13   17   17 o  586.727   77.573   1.7829   0.4085   2.4371   0.6006   1.2194   0.5574  662.557  101.759  439.132  129.259 223.4249 164.5080 
1 1 1   13   17   18 o  318.726  110.678   0.6200   0.3969   0.8756   0.5606   0.3629   0.5621  357.661  130.720  281.823  120.911 75.83746 178.0652 
1 1 1   13   17   19 o  271.288  108.670   0.4292   0.4121   0.4111   0.5892   0.4464   0.5766  277.213  121.318  280.658  121.449 -3.444794 171.6616 
1 1 1   13   19    0 o  580.479   51.065   1.6058   0.2700   1.8271   0.3581   1.3145   0.4109  613.458   64.405  505.800   91.662 107.6585 112.0266 
1 1 1   13   19    1 o  484.992   60.940   1.1430   0.2660   0.7713   0.3448   1.6890   0.4179  382.210   97.671  580.703   80.362 -198.4922 126.4821 
1 1 1   13   19    2 o  122.712   59.914  -0.3881   0.2221  -0.4615   0.3038  -0.3038   0.3255  147.805   71.689  169.812   80.080 -22.00752 107.4806 
1 1 1   13   19    3 o  542.389   76.958   1.4725   0.3733   1.4114   0.4059   1.8075   0.9506  525.143   87.055  524.178  171.269 0.9650879 192.1236 
1 1 1   13   19    4 o  287.452  102.832   0.4007   0.3445   0.1996   0.3774   1.4084   0.8446  252.434  102.948  470.887  161.568 -218.4534 191.5789 
1 1 1   13   19    5 o  499.777   67.097   1.2322   0.3008   1.0693   0.4063   1.4297   0.4474  446.855  101.165  521.531   96.789 -74.67578 140.0089 
1 1 1   13   19    6 o  300.493   96.717   0.4676   0.3038   0.1582   0.4017   0.8811   0.4644  249.921  104.467  396.435  118.305 -146.5142 157.8277 
1 1 1   13   19    7 o  254.689   89.428   0.3087   0.2595   0.4348   0.3161   0.0485   0.4542  292.475   98.858  245.269  106.952 47.20575 145.6421 
1 1 1   13   19    8 o  708.156   54.166   2.4071   0.3503   2.6003   0.4432   2.0855   0.5719  728.461   66.858  626.868  102.696 101.5931 122.5412 
1 1 1   13   19    9 o  598.573   62.727   1.7458   0.3404   1.5592   0.4169   2.1188   0.5894  553.141   84.597  630.932  105.225 -77.79077 135.0147 
1 1 1   13   19   10 o  983.207   55.040   4.6216   0.4960   4.7110   0.6696   4.5130   0.7381  977.185   75.045  946.837   85.648 30.34863 113.8747 
1 1 1   13   19   11 o  328.911  103.334   0.5654   0.3485   0.6712   0.4827   0.4503   0.5036  355.704  122.143  316.523  122.113 39.18088 172.7153 
1 1 1   13   19   12 o  312.891  104.406   0.4997   0.3526   1.1335   0.4598  -0.4044   0.5492  457.882  110.422  223.506  104.967 234.3756 152.3519 
1 1 1   13   19   13 o  421.725  122.822   1.0002   0.5056   0.3003   0.5919   2.8904   0.9727  303.940  126.909  688.948  156.935 -385.0075 201.8282 
1 1 1   13   19   14 f  381.184  113.234   0.8091   0.4261   0.7307   0.4814   1.0928   0.9158  362.242  121.998  419.959  163.933 -57.71738 204.3469 
1 1 1   13   19   15 o  835.308   64.430   3.4359   0.4914   3.2249   0.6195   3.7941   0.8071  788.698   86.792  831.784  107.997 -43.08618 138.5505 
1 1 1   13   19   16 o  234.018   97.605   0.1718   0.3495  -0.0626   0.4793   0.4381   0.5109  229.067  104.122  297.699  120.376 -68.63158 159.1595 
1 1 1   13   19   17 o  191.651   88.444  -0.1264   0.3638  -0.6977   0.4839   0.6159   0.5517  176.031   86.460  315.653  125.979 -139.6215 152.7938 
1 1 1   13   19   18 o  220.663   97.351   0.1160   0.3864   0.2063   0.5626   0.0353   0.5315  253.473  114.242  233.290  107.387 20.18300 156.7901 
1 1 1   13   19   19 f  216.365  105.919  -0.4560   0.7079  -0.8683   1.0822  -0.1476   0.9360  235.994  118.125  251.220  122.729 -15.22624 170.3407 
1 1 1   13   21    0 o  393.531   93.683   0.8135   0.3344   0.9994   0.3627  -0.2369   0.8621  437.539   92.966  294.236  135.914 143.3033 164.6671 
1 1 1   13   21    1 o  250.858   88.963   0.2923   0.2573   0.4795   0.3443   0.0554   0.3873  306.322  103.177  232.075   99.981 74.24648 143.6722 
1 1 1   13   21    2 o  467.311   71.651   1.0878   0.2983   0.9452   0.3939   1.2796   0.4567  419.247  102.866  488.350  104.779 -69.10358 146.8337 
1 1 1   13   21    3 o  504.858   74.124   1.2742   0.3341   1.8599   0.4950   0.7841   0.4528  599.423   92.737  376.247  117.720 223.1765 149.8607 
1 1 1   13   21    4 o  360.751   94.753   0.6909   0.3186   0.4256   0.4474   0.9639   0.4538  302.866  115.531  416.193  114.778 -113.3272 162.8540 
1 1 1   13   21    5 o  355.820   96.645   0.6753   0.3246   0.4474   0.4477   0.9279   0.4714  306.625  115.904  406.222  118.672 -99.59744 165.8823 
1 1 1   13   21    6 o  543.493   80.631   1.4957   0.3910   1.3385   0.5502   1.6562   0.5558  485.503  123.008  549.306  113.708 -63.80331 167.5124 
1 1 1   13   21    7 o  402.455   97.427   0.8627   0.3569   1.0340   0.4876   0.6649   0.5239  428.917  119.239  352.436  126.725 76.48059 174.0034 
1 1 1   13   21    8 o  536.043   70.726   1.4217   0.3403   1.3789   0.4100   1.5167   0.6105  517.529   89.316  515.334  129.027 2.195129 156.9244 
1 1 1   13   21    9 o  854.156   58.554   3.5039   0.4574   3.2239   0.5975   3.9005   0.7111  803.285   81.980  877.936   89.262 -74.65051 121.1965 
1 1 1   13   21   10 o  1063.27   64.393   5.4637   0.6270   5.1852   0.9293   5.6966   0.8496  1000.22  102.410  1064.64   87.501 -64.42578 134.7005 
1 1 1   13   21   11 o  264.790  100.292   0.2986   0.3356   0.5631   0.4179  -0.1823   0.5634  329.829  113.619  245.495  112.090 84.33400 159.6043 
1 1 1   13   21   12 o  711.835   66.544   2.4796   0.4308   2.4267   0.5194   2.5963   0.7712  692.907   83.125  678.182  128.277 14.72424 152.8550 
1 1 1   13   21   13 o  516.927  136.396   1.6087   0.6582   1.6087   0.6582   0.0000   0.0000  516.927  136.396  ?   ?  0.000000 136.3956 
1 1 1   13   21   14 o  659.301   77.411   2.2198   0.4607   2.0431   0.5631   2.5778   0.8013  609.188  104.192  646.244  138.882 -37.05585 173.6206 
1 1 1   13   21   15 o  451.879  109.621   1.1999   0.4511   1.4962   0.5756   0.7278   0.7265  487.504  127.030  344.265  141.896 143.2393 190.4497 
1 1 1   13   21   16 o  671.371   84.259   2.4552   0.5091   2.8286   0.6617   1.9137   0.7968  689.402  107.843  486.989  156.628 202.4132 190.1649 
1 1 1   13   21   17 o  316.653  118.249   0.6970   0.4630   1.2669   0.5806  -0.2993   0.7676  404.245  133.934  237.309  114.822 166.9366 176.4160 
1 1 1   13   23    0 f  495.543   76.323   1.2310   0.3368   1.4357   0.4478   0.9641   0.5112  524.042   96.421  413.439  124.299 110.6040 157.3125 
1 1 1   13   23    1 o  683.516   61.397   2.2644   0.3820   2.4178   0.5124   2.0725   0.5732  693.289   81.909  626.377  103.039 66.91187 131.6288 
1 1 1   13   23    2 o  732.502   60.416   2.5959   0.4036   3.3069   0.5678   1.8699   0.5738  815.707   76.543  588.745  109.952 226.9615 133.9712 
1 1 1   13   23    3 o  934.405   54.674   4.1801   0.4680   5.3734   0.6753   3.0771   0.6493  1046.61   70.534  773.112   93.144 273.4998 116.8369 
1 1 1   13   23    4 o  366.072  101.859   0.7200   0.3557   0.6659   0.4869   0.7818   0.5208  351.828  122.558  374.968  126.884 -23.13977 176.4086 
1 1 1   13   23    5 o  277.434  103.710   0.3474   0.3564  -0.0805   0.4855   0.8471   0.5247  237.842  106.754  388.437  127.264 -150.5951 166.1098 
1 1 1   13   23    6 o  428.101   97.958   0.9695   0.3775   0.9776   0.5181   0.9603   0.5512  416.391  125.123  411.083  130.070 5.307800 180.4823 
1 1 1   13   23    7 o  323.632  108.547   0.5410   0.3811   0.0503   0.5386   1.0333   0.5394  265.179  116.023  427.865  127.461 -162.6858 172.3587 
1 1 1   13   23    8 o  600.849   97.425   1.8724   0.5202   0.4932   0.8107   2.8378   0.6783  354.158  148.257  737.535  102.730 -383.3774 180.3709 
1 1 1   13   23    9 o  395.900  126.225   0.8761   0.5184   1.3332   0.8563   0.6118   0.6513  463.020  162.466  354.062  138.234 108.9581 213.3162 
1 1 1   13   23   10 o  714.192   67.768   2.4996   0.4400   3.0800   0.5600   1.5627   0.7115  785.429   78.531  508.599  144.973 276.8302 164.8764 
1 1 1   13   23   11 o  295.476  107.092   0.4334   0.3751   0.2083   0.4523   0.9291   0.6712  265.870  110.974  396.061  143.294 -130.1917 181.2415 
1 1 1   13   23   12 o  763.665  109.701   3.2130   0.7487   3.2130   0.7487   0.0000   0.0000  763.665  109.701  ?   ?  0.000000 109.7011 
1 1 1   13   23   13 o  999.748   60.334   4.9188   0.5524   5.5338   0.6938   3.8538   0.9130  1045.69   72.559  800.840  128.225 244.8464 147.3313 
1 1 1   13   23   14 o  1116.75   60.560   6.2135   0.6200   6.4742   0.7841   5.7787   1.0126  1114.34   76.944  988.520  113.379 125.8244 137.0224 
1 1 1   13   23   15 o  174.008   83.836  -0.3887   0.3987  -0.5062   0.4872  -0.1506   0.6937  186.046   90.360  243.798  115.547 -57.75261 146.6836 
1 1 1   13   23   16 o  350.821  121.797   0.9079   0.4807   0.9676   0.5989   0.7999   0.8056  343.924  133.038  311.815  138.906 32.10928 192.3386 
1 1 1   13   25    0 o  647.885   70.101   2.0591   0.4113   2.1110   0.5537   1.9952   0.6141  638.757   97.283  608.738  113.824 30.01929 149.7331 
1 1 1   13   25    1 o  573.447   78.529   1.6431   0.4035   1.7459   0.5416   1.5149   0.6048  573.539  106.555  518.466  127.626 55.07361 166.2602 
1 1 1   13   25    2 o  886.822   62.086   3.7946   0.5034   4.7026   0.7217   2.9342   0.7026  971.932   81.452  748.102  104.954 223.8304 132.8524 
1 1 1   13   25    3 o  575.885   80.548   1.6625   0.4152   1.2674   0.5580   2.1526   0.6214  474.841  125.719  635.705  110.222 -160.8643 167.1949 
1 1 1   13   25    4 o  255.806  104.480   0.1962   0.3894  -0.2654   0.5360   0.7123   0.5668  232.308  107.258  366.459  131.803 -134.1509 169.9307 
1 1 1   13   25    5 f  368.878  118.208   0.7368   0.4542   1.6549   0.7769   0.2601   0.5598  523.111  152.212  295.471  123.403 227.6402 195.9510 
1 1 1   13   25    6 o  170.846   83.344  -0.6824   0.4272  -0.8748   0.6978  -0.5669   0.5403  224.774  108.931  208.750   99.788 16.02374 147.7283 
1 1 1   13   25    7 o  209.753   95.218  -0.1409   0.3992  -0.0666   0.5681  -0.2134   0.5610  257.327  115.493  241.607  110.885 15.71982 160.1060 
1 1 1   13   25    8 f  373.797  123.557   0.7795   0.4942   0.8124   0.8162   0.7605   0.6210  386.490  153.556  371.739  137.307 14.75089 205.9917 
1 1 1   13   25    9 o  374.403  127.793   0.8007   0.5283   1.4128   0.9701   0.5427   0.6299  455.971  170.982  335.755  134.404 120.2164 217.4846 
1 1 1   13   25   10 f  796.483   87.500   3.2886   0.6307   3.3254   0.7835   3.2209   1.0631  773.135  113.516  688.789  169.001 84.34650 203.5854 
1 1 1   13   25   11 o  342.291  118.859   0.6832   0.4578   0.4361   0.5053   1.8154   1.0815  299.859  120.252  469.912  179.537 -170.0534 216.0883 
1 1 1   13   25   12 o  344.246  135.873   0.7520   0.6352   0.7306   0.7348   0.8153   1.2635  342.250  142.024  359.553  165.531 -17.30341 218.1084 
1 1 1   13   25   13 o  329.534  115.174   0.6901   0.4301   0.4656   0.5127   1.2235   0.7903  289.968  119.325  385.907  151.803 -95.93921 193.0870 
1 1 1   13   25   14 o  171.594   83.821  -0.5215   0.4363  -0.0744   0.5284  -1.4795   0.7734  222.578  104.026  190.897   96.133 31.68050 141.6442 
1 1 1   13   25   15 o  388.398  136.847   1.3021   0.6080   1.3021   0.6080   0.0000   0.0000  388.398  136.847  ?   ?  0.000000 136.8468 
1 1 1   13   27    0 o  314.183  109.816   0.4899   0.3911   0.0968   0.4949   1.1431   0.6380  263.548  113.276  446.319  139.753 -182.7708 179.8960 
1 1 1   13   27    1 o  586.104   90.492   1.7507   0.4723   1.1387   0.6270   2.5539   0.7182  445.141  138.404  689.100  117.478 -243.9593 181.5400 
1 1 1   13   27    2 o  424.873  118.972   0.9964   0.4836   0.9519   0.7362   1.0302   0.6414  410.291  149.824  423.539  140.797 -13.24835 205.5993 
1 1 1   13   27    3 o  323.563  117.944   0.5189   0.4559   0.6325   0.6693   0.4205   0.6227  358.885  140.130  324.977  132.358 33.90814 192.7565 
1 1 1   13   27    4 o  1609.94   59.379   12.434   0.8796   13.559   1.4138   11.723   1.1236  1628.59   94.750  1536.61   79.743 91.98083 123.8404 
1 1 1   13   27    5 o  1088.09   64.250   5.7504   0.6404   5.3469   0.8698   6.2283   0.9465  1019.51   93.766  1099.93   94.432 -80.42365 133.0770 
1 1 1   13   27    6 o  322.779  118.485   0.5357   0.4613   0.8340   0.6392   0.2115   0.6663  381.198  139.547  299.787  130.139 81.41104 190.8126 
1 1 1   13   27    7 o  269.745  117.583   0.1259   0.5486   0.3344   0.8502  -0.0229   0.7181  329.670  144.967  281.721  127.820 47.94968 193.2706 
1 1 1   13   27    8 o  306.192  129.280   0.3723   0.6250  -0.6776   0.8653   1.5172   0.9036  256.586  123.593  458.869  166.232 -202.2833 207.1428 
1 1 1   13   27    9 o  704.995   98.260   2.7163   0.6201   2.5176   0.7531   3.1346   1.0926  639.075  132.423  640.153  178.679 -1.077271 222.4013 
1 1 1   13   27   10 o  243.286  107.793   0.0917   0.4787   0.2535   0.6521  -0.0974   0.7049  283.795  125.772  259.616  120.939 24.17865 174.4848 
1 1 1   13   27   11 o  292.626  127.285   0.4269   0.6400   0.3650   0.7537   0.5869   1.2113  293.817  132.346  327.583  154.480 -33.76682 203.4195 
1 1 1   13   27   12 o  372.284  130.746   1.0460   0.5546   1.3802   0.7360   0.6069   0.8437  395.479  148.809  304.602  138.337 90.87720 203.1772 
1 1 1   13   27   13 f  440.440  118.322   1.3643   0.4897   1.6608   0.6017   0.7821   0.8430  460.671  133.929  304.152  138.189 156.5198 192.4400 
1 1 1   13   27   14 o  221.564  106.938  -0.1554   0.6555   0.5673   0.8444  -1.2519   1.0401  276.922  130.086  216.277  109.231 60.64481 169.8641 
1 1 1   13   29    0 o  303.003  132.621   0.1645   0.7042   0.0000   0.0000   0.1645   0.7042  ?   ?   303.003  132.621 0.000000 132.6208 
1 1 1   13   29    1 o  200.275   94.116  -0.3409   0.4427  -0.7868   0.5714   0.3287   0.7001  200.353   97.436  318.651  135.781 -118.2973 167.1234 
1 1 1   13   29    2 o  427.437  118.748   1.0385   0.4838   0.8924   0.6488   1.2213   0.7259  390.601  140.959  442.192  149.806 -51.59097 205.6966 
1 1 1   13   29    3 o  682.150   90.084   2.4165   0.5516   2.7281   0.7755   2.0974   0.7847  689.541  126.906  581.284  146.707 108.2571 193.9798 
1 1 1   13   29    4 o  456.571  121.084   1.2164   0.5170   0.9545   0.7180   1.4983   0.7451  392.947  147.150  478.375  151.201 -85.42810 210.9857 
1 1 1   13   29    5 o  704.808  110.004   2.7719   0.6901   4.2583   1.2763   2.1578   0.8204  762.397  184.026  570.389  153.104 192.0078 239.3876 
1 1 1   13   29    6 o  295.553  130.557   0.2537   0.6971  -0.2422   1.0831   0.6043   0.9108  300.295  142.917  344.793  150.867 -44.49777 207.8127 
1 1 1   13   29    7 o  393.629  132.977   1.0232   0.5720   0.4937   0.7105   1.9985   0.9643  315.786  135.725  490.460  172.385 -174.6742 219.4035 
1 1 1   13   29    8 o  265.245  115.482   0.2435   0.5277   0.2110   0.7060   0.2847   0.7945  280.722  127.114  294.468  133.929 -13.74573 184.6485 
1 1 1   13   29    9 o  314.912  127.383   0.6531   0.5723   0.5675   0.7445   0.7766   0.8948  307.540  135.435  328.743  146.423 -21.20316 199.4554 
1 1 1   13   29   10 o  310.717  135.267   0.7225   0.7239   0.8123   0.8031   0.3335   1.6722  318.308  140.395  303.913  151.288 14.39441 206.3949 
1 1 1   13   29   11 o  316.252  129.923   0.8298   0.6066   1.0709   0.8613   0.5925   0.8544  325.108  144.292  287.981  133.818 37.12671 196.7927 
1 1 1   13   31    0 o  457.746  116.873   1.2295   0.4940   0.6019   0.6061   2.4717   0.8526  332.857  132.296  611.913  152.089 -279.0562 201.5773 
1 1 1   13   31    1 o  295.848  119.710   0.4135   0.5056   0.7599   0.6528  -0.1060   0.7993  354.539  138.400  278.325  129.364 76.21451 189.4456 
1 1 1   13   31    2 o  485.387  163.631   1.7855   0.8661   1.5536   1.2682   1.9882   1.1856  422.035  181.359  468.038  185.350 -46.00366 259.3176 
1 1 1   13   31    3 o  264.099  124.511  -0.2070   0.7860  -0.6229   1.1808   0.1239   1.0533  285.247  139.021  310.822  145.781 -25.57513 201.4420 
1 1 1   13   31    4 o  271.409  120.717   0.2022   0.6060  -0.4204   0.7613   1.2788   1.0010  244.209  117.191  390.498  164.178 -146.2885 201.7127 
1 1 1   13   31    5 o  318.153  127.902   0.6394   0.5731   1.1898   0.8069   0.0790   0.8142  382.534  152.458  277.503  129.507 105.0311 200.0385 
1 1 1   13   31    6 f  206.858   99.211  -0.3614   0.5439  -0.5996   0.7110  -0.0252   0.8446  219.892  107.324  267.312  126.924 -47.41966 166.2173 
1 1 1   13   31    7 o  365.833  135.338   1.0696   0.6037   0.9268   0.8237   1.2354   0.8875  329.767  143.907  356.061  152.324 -26.29419 209.5517 
1 1 1   13   31    8 o  235.456  110.103   0.0438   0.5932   0.2805   0.7802  -0.2805   0.9132  267.118  125.341  245.626  120.256 21.49203 173.7007 
1 1 1   13   31    9 o  223.114  108.898  -0.2972   0.7321  -0.1000   0.8368  -0.9405   1.5113  241.531  117.565  251.613  127.591 -10.08278 173.4967 
1 1 1   13   33    0 o  407.907  143.768   1.3011   0.6711   1.5599   0.8244   0.7929   1.1552  420.965  157.671  332.746  154.944 88.21875 221.0608 
1 1 1   13   33    1 o  424.035  151.344   1.5245   0.7459   1.3599   0.9498   1.7894   1.2048  376.002  159.100  391.497  172.354 -15.49423 234.5603 
1 1 1   13   33    2 o  282.033  124.899   0.4184   0.6419   0.4281   0.8789   0.4074   0.9396  293.363  136.115  294.324  137.930 -0.9609070 193.7832 
1 1 1   13   33    3 o  384.537  140.770   1.2491   0.6505   1.1926   0.8528   1.3278   1.0058  351.510  149.821  352.378  156.185 -0.8684387 216.4253 
1 1 1   13   33    4 o  262.624  119.254   0.3181   0.6267   0.5244   0.8553   0.0790   0.9209  287.589  133.719  263.928  127.223 23.66068 184.5714 
1 1 1   13   33    5 o  245.825  114.636   0.1673   0.6360   0.2124   0.8858   0.1193   0.9137  263.332  126.379  259.838  125.614 3.493591 178.1872 
1 1 1   13   33    6 o  268.701  128.442   0.4201   0.8950   0.4201   0.8950   0.0000   0.0000  268.701  128.442  ?   ?  0.000000 128.4421 
1 1 1   13   35    0 o  347.176  170.987   3.3511   1.9354   0.0000   0.0000   3.3511   1.9354  ?   ?   347.176  170.987 0.000000 170.9868 
1 1 1   14    0    0 o  1278.58   47.580   7.5627   0.5580   7.5627   0.5580   7.5627   0.5580  1278.58   47.580  1278.58   47.580 0.000000 0.000000 
1 1 1   14    0    1 o  826.021   52.437   3.1822   0.3949   3.1822   0.3949   3.1822   0.3949  826.021   52.437  826.021   52.437 0.000000 0.000000 
1 1 1   14    0    2 o  2044.77   45.376   19.291   0.8528   19.291   0.8528   19.291   0.8528  2044.77   45.376  2044.77   45.376 0.000000 0.000000 
1 1 1   14    0    3 o  1242.91   47.134   7.1496   0.5373   7.1496   0.5373   7.1496   0.5373  1242.91   47.134  1242.91   47.134 0.000000 0.000000 
1 1 1   14    0    4 o   89.828   62.432  -0.1630   0.1822  -0.1630   0.1822  -0.1630   0.1822   89.828   62.432   89.828   62.432 0.000000 0.000000 
1 1 1   14    0    5 o  1213.01   48.287   6.8213   0.5370   6.8213   0.5370   6.8213   0.5370  1213.01   48.287  1213.01   48.287 0.000000 0.000000 
1 1 1   14    0    6 o  603.088   61.841   1.7361   0.3349   1.7361   0.3349   1.7361   0.3349  603.088   61.841  603.088   61.841 0.000000 0.000000 
1 1 1   14    0    7 o  277.671  131.923   0.5384   0.3840   0.5384   0.3840   0.5384   0.3840  277.671  131.923  277.671  131.923 0.000000 0.000000 
1 1 1   14    0    8 o  764.665   63.048   2.7741   0.4367   2.7741   0.4367   2.7741   0.4367  764.665   63.048  764.665   63.048 0.000000 0.000000 
1 1 1   14    0    9 o  1505.01   55.242   10.573   0.7627   10.573   0.7627   10.573   0.7627  1505.01   55.242  1505.01   55.242 0.000000 0.000000 
1 1 1   14    0   10 o  281.416  152.054   0.5822   0.5490   0.5822   0.5490   0.5822   0.5490  281.416  152.054  281.416  152.054 0.000000 0.000000 
1 1 1   14    0   11 o  583.714  139.418   1.9163   0.6497   1.9163   0.6497   1.9163   0.6497  583.714  139.418  583.714  139.418 0.000000 0.000000 
1 1 1   14    0   12 f  1739.83   88.475   14.546   1.4081   14.546   1.4081   14.546   1.4081  1739.83   88.475  1739.83   88.475 0.000000 0.000000 
1 1 1   14    0   13 f  185.568  115.980   0.1302   0.4062   0.1302   0.4062   0.1302   0.4062  185.568  115.980  185.568  115.980 0.000000 0.000000 
1 1 1   14    0   14 o  1905.51   63.349   17.066   1.1080   17.066   1.1080   17.066   1.1080  1905.51   63.349  1905.51   63.349 0.000000 0.000000 
1 1 1   14    0   15 o  293.014  136.838   0.6167   0.4114   0.6167   0.4114   0.6167   0.4114  293.014  136.838  293.014  136.838 0.000000 0.000000 
1 1 1   14    0   16 o  688.080   84.881   2.3303   0.5155   2.3303   0.5155   2.3303   0.5155  688.080   84.881  688.080   84.881 0.000000 0.000000 
1 1 1   14    0   17 o  392.696  140.681   0.9805   0.4646   0.9805   0.4646   0.9805   0.4646  392.696  140.681  392.696  140.681 0.000000 0.000000 
1 1 1   14    0   18 o  118.396   85.946  -1.0359   0.5175  -1.0359   0.5175  -1.0359   0.5175  118.396   85.946  118.396   85.946 0.000000 0.000000 
1 1 1   14    0   19 o  534.454  185.038   1.8790   0.8206   1.8790   0.8206   1.8790   0.8206  534.454  185.038  534.454  185.038 0.000000 0.000000 
1 1 1   14    0   20 o  465.502  150.292   1.3635   0.5687   1.3635   0.5687   1.3635   0.5687  465.502  150.292  465.502  150.292 0.000000 0.000000 
1 1 1   14    0   21 o  720.283  113.261   2.7452   0.6952   2.7452   0.6952   2.7452   0.6952  720.283  113.261  720.283  113.261 0.000000 0.000000 
1 1 1   14    0   22 o  192.406  127.295   0.0179   0.5885   0.0179   0.5885   0.0179   0.5885  192.406  127.295  192.406  127.295 0.000000 0.000000 
1 1 1   14    2    0 o  2751.60   31.178   34.874   0.7894   34.430   1.1125   35.324   1.1204  2732.45   44.246  2767.75   43.991 -35.29199 62.39343 
1 1 1   14    2    1 o  1052.42   34.615   5.1034   0.3352   5.1559   0.4825   5.0544   0.4660  1057.00   49.608  1046.62   48.392 10.37866 69.30151 
1 1 1   14    2    2 o  1080.74   34.147   5.3822   0.3396   4.8393   0.4720   5.9646   0.4889  1023.85   50.102  1136.93   46.732 -113.0770 68.51376 
1 1 1   14    2    3 o  1012.03   34.211   4.7209   0.3186   4.9427   0.4606   4.5175   0.4411  1034.58   48.382  989.062   48.472 45.51538 68.48615 
1 1 1   14    2    4 o  2573.74   31.324   30.539   0.7418   29.633   1.0263   31.530   1.0735  2532.77   44.035  2612.42   44.659 -79.65112 62.71774 
1 1 1   14    2    5 o  198.438   68.926   0.1652   0.1539  -0.1173   0.2104   0.4905   0.2258  153.072   69.346  317.572   77.873 -164.5001 104.2741 
1 1 1   14    2    6 o  539.574   52.909   1.3670   0.2593   1.6856   0.4623   1.2208   0.3132  590.409   87.769  505.904   69.090 84.50421 111.6999 
1 1 1   14    2    7 o  1733.12   41.061   13.944   0.6548   13.989   1.1484   13.923   0.7971  1719.67   72.576  1728.00   50.130 -8.334961 88.20596 
1 1 1   14    2    8 o  797.194   61.986   3.0170   0.4511   2.5935   0.6010   3.5637   0.6828  725.347   92.121  853.958   88.162 -128.6110 127.5098 
1 1 1   14    2    9 o  559.656   60.414   1.5014   0.3062   1.2739   0.3699   1.9964   0.5457  506.426   82.198  628.116   97.578 -121.6899 127.5848 
1 1 1   14    2   10 o  672.138   52.941   2.1501   0.3248   2.1627   0.4595   2.1375   0.4591  662.294   76.830  658.149   77.277 4.144714 108.9704 
1 1 1   14    2   11 o  474.143   79.383   1.1328   0.3341   0.8243   0.5705   1.2939   0.4122  385.810  132.760  499.868   93.036 -114.0576 162.1141 
1 1 1   14    2   12 o  825.505   49.886   3.2412   0.3772   3.3218   0.5188   3.1509   0.5493  823.628   69.089  797.206   75.792 26.42273 102.5557 
1 1 1   14    2   13 o  568.889   61.801   1.5749   0.3183   1.3323   0.4187   1.9070   0.4899  505.684   93.426  609.317   90.102 -103.6326 129.7956 
1 1 1   14    2   14 o  973.623   47.527   4.4825   0.4258   5.1765   0.5828   3.6880   0.6236  1035.37   61.447  859.484   79.761 175.8823 100.6852 
1 1 1   14    2   15 o  739.786   57.401   2.6283   0.3877   2.2601   0.4941   3.2180   0.6253  671.537   81.645  798.837   86.445 -127.3008 118.9056 
1 1 1   14    2   16 o  1343.09   52.891   8.5449   0.6537   8.6535   0.7574   8.2277   1.2943  1345.08   61.191  1251.47  113.633 93.60046 129.0611 
1 1 1   14    2   17 o  465.313   99.305   1.1314   0.4122   0.9359   0.4756   1.7215   0.8265  414.178  118.691  534.207  157.448 -120.0291 197.1741 
1 1 1   14    2   18 o  1449.01   47.183   9.9090   0.6291   9.7826   0.8800   10.041   0.8997  1421.38   67.286  1439.36   67.927 -17.98523 95.61077 
1 1 1   14    2   19 f  580.961   83.815   1.7268   0.4351   2.8717   0.7070   1.0289   0.5520  728.751  108.763  418.607  129.819 310.1445 169.3590 
1 1 1   14    2   20 o  910.244   68.642   4.1427   0.5707   4.4635   0.7308   3.6413   0.9137  923.268   87.047  776.058  132.717 147.2098 158.7163 
1 1 1   14    2   21 o  788.910   78.931   3.2877   0.5653   2.8490   0.6976   4.1268   0.9647  689.683  113.898  792.744  137.225 -103.0615 178.3347 
1 1 1   14    2   22 o  275.178  114.696   0.4258   0.4822   0.6432   0.6948   0.2237   0.6698  307.565  133.202  266.143  121.785 41.42249 180.4835 
1 1 1   14    4    0 o  1190.40   33.255   6.5284   0.3643   6.8431   0.5284   6.2433   0.5029  1217.93   47.147  1163.34   46.977 54.58679 66.55554 
1 1 1   14    4    1 o  1995.60   31.470   18.346   0.5779   18.928   0.8425   17.830   0.7941  2025.58   45.203  1966.11   43.894 59.46753 63.00806 
1 1 1   14    4    2 f  1699.92   37.278   13.322   0.5831   14.732   1.1607   12.846   0.6744  1782.88   70.751  1668.62   43.922 114.2507 83.27570 
1 1 1   14    4    3 o  236.615   72.567   0.2602   0.1730  -0.3045   0.3393   0.4587   0.2011  180.809   84.121  308.195   72.194 -127.3870 110.8525 
1 1 1   14    4    4 o  1274.56   37.389   7.4991   0.4385   6.6628   0.7124   8.0092   0.5564  1195.63   64.998  1316.07   45.944 -120.4417 79.59646 
1 1 1   14    4    5 o  1286.25   38.485   7.6491   0.4555   8.2141   0.7662   7.3403   0.5665  1327.56   62.725  1258.13   48.930 69.42847 79.55209 
1 1 1   14    4    6 o  466.297   49.239   1.0221   0.2081   1.1867   0.2962   0.8618   0.2924  498.897   66.151  420.741   78.402 78.15619 102.5808 
1 1 1   14    4    7 o  981.724   38.504   4.4722   0.3478   4.4085   0.4836   4.5405   0.5006  969.147   54.453  983.194   55.563 -14.04639 77.79671 
1 1 1   14    4    8 o  1232.80   44.416   7.0927   0.5038   7.0799   0.6204   7.1175   0.8635  1227.08   54.947  1215.26   77.625 11.82178 95.10384 
1 1 1   14    4    9 o  623.101   59.425   1.8581   0.3366   2.2623   0.4314   1.2296   0.5380  683.394   69.581  477.177  122.046 206.2177 140.4874 
1 1 1   14    4   10 o  732.912   54.095   2.5607   0.3622   2.3227   0.4282   3.1598   0.6793  690.762   68.259  787.183   95.760 -96.42090 117.5980 
1 1 1   14    4   11 o  365.818   80.838   0.6851   0.2649   0.6270   0.3778   0.7413   0.3714  343.226  107.564  371.643  104.326 -28.41681 149.8465 
1 1 1   14    4   12 o  563.847   56.438   1.5333   0.2889   1.3205   0.3750   1.8439   0.4531  509.747   82.783  603.221   83.909 -93.47375 117.8719 
1 1 1   14    4   13 f  989.957   46.235   4.6289   0.4212   4.2203   0.5340   5.3013   0.6850  933.500   62.531  1038.28   72.148 -104.7805 95.47484 
1 1 1   14    4   14 o  350.438   90.747   0.6443   0.2949   0.4306   0.3822   0.9589   0.4637  297.928  108.084  415.374  116.566 -117.4459 158.9649 
1 1 1   14    4   15 o  1091.16   48.235   5.6246   0.4843   5.5038   0.6359   5.7915   0.7473  1066.31   65.123  1084.98   75.318 -18.66736 99.56876 
1 1 1   14    4   16 o  997.399   50.993   4.7133   0.4664   4.3714   0.6019   5.2271   0.7379  948.834   69.425  1030.68   78.395 -81.84698 104.7168 
1 1 1   14    4   17 o  310.865  102.715   0.4891   0.3415   0.9004   0.4620  -0.0063   0.5071  406.716  117.110  253.596  111.725 153.1202 161.8556 
1 1 1   14    4   18 o  1400.89   56.615   9.3727   0.7298   9.1465   1.0531   9.5817   1.0123  1351.02   85.149  1390.18   79.462 -39.16333 116.4668 
1 1 1   14    4   19 o  266.323  104.156   0.2966   0.3702   0.9410   0.5100  -0.4214   0.5383  402.310  124.782  215.902  102.170 186.4081 161.2734 
1 1 1   14    4   20 f  494.975  134.567   1.5534   0.6290   1.5534   0.6290   0.0000   0.0000  494.975  134.567  ?   ?  0.000000 134.5669 
1 1 1   14    4   21 o  734.285   91.793   2.9925   0.6067   2.9608   0.6984   3.0902   1.2248  703.583  111.593  544.702  193.985 158.8808 223.7923 
1 1 1   14    4   22 o  235.540  108.277   0.0496   0.5379   0.4385   0.7379  -0.3913   0.7857  286.988  129.955  236.053  114.672 50.93524 173.3144 
1 1 1   14    6    0 o  2292.00   33.089   24.206   0.6979   26.075   1.1664   23.164   0.8709  2376.00   53.352  2241.06   42.233 134.9441 68.04452 
1 1 1   14    6    1 o  1477.23   34.206   10.058   0.4650   9.1381   0.7257   10.699   0.6056  1405.94   56.091  1522.74   43.222 -116.7926 70.81206 
1 1 1   14    6    2 o  2626.66   33.002   31.806   0.7977   31.176   1.2720   32.214   1.0240  2596.37   53.243  2641.81   42.124 -45.44336 67.89166 
1 1 1   14    6    3 o  354.746   54.221   0.5961   0.1714   0.7353   0.2780   0.5108   0.2176  389.966   80.164  324.768   74.417 65.19885 109.3805 
1 1 1   14    6    4 o  861.487   42.919   3.4337   0.3402   3.4252   0.3910   3.4604   0.6901  858.186   49.733  852.641   89.288 5.544678 102.2049 
1 1 1   14    6    5 o  1129.21   34.884   5.8956   0.3625   5.5701   0.4999   6.2565   0.5264  1094.85   49.617  1160.43   49.297 -65.57275 69.94262 
1 1 1   14    6    6 o  1080.21   37.241   5.4075   0.3702   5.3361   0.5111   5.4862   0.5368  1069.42   51.937  1083.81   53.831 -14.38660 74.80077 
1 1 1   14    6    7 o  561.480   51.162   1.4867   0.2614   1.6291   0.3272   1.2352   0.4348  584.840   61.731  495.142   98.890 89.69794 116.5762 
1 1 1   14    6    8 o  153.827   66.982  -0.0217   0.1776   0.0433   0.2399  -0.1007   0.2642  191.308   80.396  175.123   78.666 16.18420 112.4800 
1 1 1   14    6    9 o  1017.40   51.206   4.8954   0.4778   4.9252   0.5779   4.8310   0.8497  1013.98   62.237  978.637   95.577 35.34583 114.0543 
1 1 1   14    6   10 o  553.886   53.787   1.4695   0.2707   1.2959   0.3479   1.7355   0.4308  509.744   76.543  588.194   81.811 -78.45016 112.0350 
1 1 1   14    6   11 o  793.015   46.187   2.9774   0.3356   3.2369   0.4469   2.6418   0.5082  819.370   59.680  728.895   76.926 90.47461 97.36206 
1 1 1   14    6   12 o  245.342   92.913   0.2509   0.2880   0.4010   0.4232   0.1214   0.3931  296.204  112.518  242.958  102.554 53.24547 152.2422 
1 1 1   14    6   13 o  924.120   47.377   4.0488   0.4015   4.3311   0.5347   3.6838   0.6080  946.258   61.748  860.314   77.635 85.94391 99.19711 
1 1 1   14    6   14 o  789.956   53.678   2.9839   0.3879   2.9567   0.5043   3.0234   0.6069  775.191   71.507  772.395   86.895 2.795959 112.5349 
1 1 1   14    6   15 o  705.983   58.167   2.3947   0.3745   2.3095   0.4932   2.5108   0.5755  680.506   80.310  702.334   91.210 -21.82813 121.5275 
1 1 1   14    6   16 o  925.358   52.782   4.0667   0.4476   4.8872   0.6178   3.1602   0.6493  1005.20   67.174  791.443   90.805 213.7586 112.9509 
1 1 1   14    6   17 o  505.408   89.707   1.3063   0.4019   1.0707   0.5780   1.5269   0.5593  435.073  132.472  529.574  117.814 -94.50125 177.2819 
1 1 1   14    6   18 o  458.398   94.151   1.1018   0.3838   2.1118   0.5465   0.1187   0.5392  637.247   96.200  271.781  117.525 365.4666 151.8771 
1 1 1   14    6   19 o  1068.99   54.472   5.5056   0.5340   5.4401   0.7372   5.5780   0.7747  1038.88   77.677  1048.14   80.950 -9.257935 112.1905 
1 1 1   14    6   20 o  296.850  122.194   0.4198   0.5379   0.7696   0.6357  -0.4619   1.0092  351.649  136.770  278.711  134.055 72.93771 191.5120 
1 1 1   14    6   21 o  233.054  100.193   0.1680   0.3874  -0.0307   0.5552   0.3564   0.5407  237.001  109.334  276.456  118.599 -39.45483 161.3063 
1 1 1   14    8    0 o  1001.71   39.890   4.6302   0.3677   4.4710   0.4078   5.3209   0.8497  983.951   45.046  1064.46   87.523 -80.51337 98.43450 
1 1 1   14    8    1 o  1750.48   37.255   14.139   0.6001   14.459   0.6869   13.108   1.2332  1769.44   42.187  1676.54   79.936 92.90015 90.38515 
1 1 1   14    8    2 o  962.840   40.853   4.2834   0.3619   4.0681   0.3981   5.3104   0.8694  937.783   46.132  1059.88   90.001 -122.0992 101.1347 
1 1 1   14    8    3 o  1163.84   32.077   6.2525   0.3435   6.5252   0.4881   5.9850   0.4836  1187.10   44.685  1136.64   46.233 50.45374 64.29817 
1 1 1   14    8    4 o  999.630   34.391   4.6197   0.3163   4.2385   0.4228   5.1046   0.4768  954.066   48.318  1048.08   49.438 -94.01947 69.12820 
1 1 1   14    8    5 o  363.574   58.008   0.6331   0.1875   0.5134   0.2302   0.8692   0.3234  322.821   78.305  419.628   86.616 -96.80646 116.7645 
1 1 1   14    8    6 o  493.961   45.718   1.1465   0.2054   1.2781   0.2655   0.9501   0.3243  519.064   56.509  438.581   83.399 80.48322 100.7402 
1 1 1   14    8    7 o  177.486   70.191   0.0890   0.1698   0.0485   0.2186   0.1507   0.2697  185.201   77.209  223.266   88.408 -38.06548 117.3762 
1 1 1   14    8    8 o  351.988   68.778   0.6130   0.2148   0.4182   0.2762   0.9106   0.3415  290.303   92.099  422.295   90.606 -131.9925 129.1959 
1 1 1   14    8    9 o  109.736   53.801  -0.3516   0.1847  -0.3081   0.2352  -0.4218   0.2985  136.280   65.329  149.745   72.246 -13.46513 97.40329 
1 1 1   14    8   10 o  480.198   76.208   1.1554   0.3255   0.8563   0.3752   2.0642   0.6541  400.267  101.683  612.878  120.277 -212.6117 157.4992 
1 1 1   14    8   11 o  268.418   83.155   0.3639   0.2266   0.1599   0.3194   0.5706   0.3215  232.942   94.818  328.648   98.512 -95.70578 136.7296 
1 1 1   14    8   12 o  587.024   65.814   1.6886   0.3494   1.4654   0.4959   1.9085   0.4923  521.569  106.926  608.903   90.622 -87.33478 140.1626 
1 1 1   14    8   13 o  617.212   54.193   1.8292   0.3047   1.7824   0.4203   1.8811   0.4423  595.967   78.549  611.138   80.622 -15.17084 112.5604 
1 1 1   14    8   14 o  908.455   46.106   3.9024   0.3842   4.2169   0.5479   3.5983   0.5388  932.820   64.219  858.174   68.810 74.64661 94.12203 
1 1 1   14    8   15 o  522.763   67.721   1.3385   0.3181   1.1164   0.4480   1.5644   0.4518  456.427  108.291  552.677   92.080 -96.25009 142.1466 
1 1 1   14    8   16 o  1003.34   53.801   4.7860   0.4949   4.0769   0.7617   5.3040   0.6510  897.070   93.660  1046.50   67.978 -149.4288 115.7288 
1 1 1   14    8   17 o  621.410   74.216   1.9095   0.4160   1.2986   0.6207   2.4075   0.5605  474.361  135.473  687.478   90.822 -213.1168 163.0999 
1 1 1   14    8   18 o  231.712   95.808   0.1418   0.3326   0.0235   0.4605   0.2709   0.4810  243.018  106.780  280.777  115.565 -37.75938 157.3444 
1 1 1   14    8   19 o  658.642   79.394   2.2240   0.4715   2.4564   0.5979   1.8418   0.7667  674.165   99.357  528.388  150.454 145.7775 180.3010 
1 1 1   14    8   20 o  361.404  113.383   0.7955   0.4197   2.1778   0.6021  -0.5114   0.5854  609.186  111.518  211.216  101.719 397.9692 150.9402 
1 1 1   14    8   21 o  171.577   84.063  -0.5959   0.4486  -0.7655   0.6012  -0.3828   0.6739  193.402   95.261  225.978  108.906 -32.57611 144.6900 
1 1 1   14   10    0 o  1239.84   62.423   7.1680   0.7099   6.7152   0.9596   7.7154   1.0550  1192.02   88.111  1277.29   90.344 -85.27527 126.1967 
1 1 1   14   10    1 o  1219.92   63.277   6.9533   0.7079   6.4780   0.9608   7.5175   1.0468  1168.19   90.082  1258.52   91.009 -90.33069 128.0526 
1 1 1   14   10    2 o  1148.96   33.324   6.0993   0.3523   6.0993   0.3523   0.0000   0.0000  1148.96   33.324  ?   ?  0.000000 33.32364 
1 1 1   14   10    3 o  566.360   34.011   1.4889   0.1764   1.4623   0.2111   1.5505   0.3213  560.096   41.248  572.311   62.005 -12.21466 74.47205 
1 1 1   14   10    4 o  903.938   32.849   3.7813   0.2732   3.8014   0.3273   3.7351   0.4964  905.205   39.292  890.149   60.967 15.05615 72.53177 
1 1 1   14   10    5 o  300.050   61.413   0.4388   0.1638   0.4924   0.2095   0.3544   0.2630  315.701   73.479  274.317   90.112 41.38309 116.2731 
1 1 1   14   10    6 o  701.559   38.301   2.2966   0.2463   2.2619   0.3118   2.3542   0.4018  693.091   49.204  702.179   62.855 -9.088257 79.82336 
1 1 1   14   10    7 o  299.871   70.052   0.4483   0.1898   0.5321   0.2547   0.3436   0.2846  323.764   84.572  271.103   93.747 52.66055 126.2572 
1 1 1   14   10    8 o  847.301   37.495   3.3518   0.2923   3.1036   0.3968   3.6465   0.4323  807.560   53.704  875.481   53.930 -67.92078 76.10911 
1 1 1   14   10    9 o  385.626   61.228   0.7291   0.2100   0.7485   0.2943   0.7090   0.2997  380.712   86.042  369.087   89.235 11.62531 123.9597 
1 1 1   14   10   10 o  789.824   51.789   2.9763   0.3743   3.0786   0.5212   2.8673   0.5379  790.147   72.487  758.252   78.221 31.89545 106.6439 
1 1 1   14   10   11 o  207.827   80.827   0.1542   0.2220   0.1353   0.3083   0.1747   0.3199  225.480   92.627  235.684   95.276 -10.20438 132.8803 
1 1 1   14   10   12 o  187.758   80.523   0.0235   0.2491   0.4151   0.3599  -0.3366   0.3451  291.877  105.027  172.477   81.674 119.4004 133.0464 
1 1 1   14   10   13 o  333.409   87.801   0.5799   0.2731   0.6106   0.3697   0.5430   0.4052  338.337  106.451  323.644  111.858 14.69278 154.4146 
1 1 1   14   10   14 f  666.097   55.901   2.1278   0.3395   2.3460   0.4760   1.9019   0.4843  687.943   76.485  611.294   88.684 76.64893 117.1103 
1 1 1   14   10   15 o  416.190   84.113   0.8820   0.3110   0.7731   0.4389   0.9919   0.4408  378.797  115.470  429.117  110.856 -50.32034 160.0701 
1 1 1   14   10   16 o  870.241   58.888   3.6312   0.4688   3.9048   0.7555   3.4599   0.5978  875.045   95.376  836.403   78.590 38.64209 123.5835 
1 1 1   14   10   17 o  247.968   96.797   0.2353   0.3193   0.9913   0.4732  -0.3965   0.4326  421.812  117.537  193.347   91.524 228.4650 148.9682 
1 1 1   14   10   18 o  265.732  107.414   0.2650   0.4066   0.4537   0.5216  -0.0272   0.6492  311.136  123.025  270.763  122.313 40.37335 173.4808 
1 1 1   14   10   19 o  471.606   98.447   1.2331   0.4134   1.5143   0.5754   0.9332   0.5944  497.342  125.681  382.074  135.234 115.2679 184.6185 
1 1 1   14   10   20 o  494.718   99.116   1.4120   0.4355   1.6455   0.6330   1.2022   0.6000  487.968  135.926  411.088  136.160 76.88019 192.3940 
1 1 1   14   10   21 f  433.218  131.557   1.3910   0.5706   1.5141   0.6962   1.1394   0.9958  422.412  146.584  342.805  153.445 79.60703 212.2079 
1 1 1   14   12    0 o  338.887  130.167   0.4247   0.5703   0.4247   0.5703   0.0000   0.0000  338.887  130.167  ?   ?  0.000000 130.1667 
1 1 1   14   12    1 o  771.962   80.648   2.8550   0.5644   3.1621   0.7894   2.5339   0.8073  799.851  110.182  705.677  129.081 94.17487 169.7120 
1 1 1   14   12    2 o  778.521   42.663   2.8241   0.3045   2.8142   0.3299   2.8808   0.7910  776.266   46.394  756.777  117.395 19.48877 126.2295 
1 1 1   14   12    3 o  651.168   33.437   1.9692   0.1997   1.9084   0.2364   2.1207   0.3731  639.639   40.368  668.694   61.317 -29.05518 73.41212 
1 1 1   14   12    4 o  1623.82   25.716   12.188   0.3842   11.663   0.5215   12.812   0.5683  1585.02   35.758  1660.64   37.191 -75.61829 51.59256 
1 1 1   14   12    5 o  881.519   30.436   3.6023   0.2469   3.3930   0.3416   3.8311   0.3572  851.040   43.774  905.736   42.856 -54.69580 61.26007 
1 1 1   14   12    6 o  1175.44   30.318   6.4120   0.3279   6.3461   0.4618   6.4790   0.4657  1164.28   43.106  1176.45   43.020 -12.17017 60.90092 
1 1 1   14   12    7 o  457.854   48.619   0.9990   0.2017   1.0929   0.2867   0.9069   0.2838  471.788   68.008  426.107   75.127 45.68060 101.3366 
1 1 1   14   12    8 o  357.653   64.935   0.6339   0.2058   0.7688   0.3018   0.5165   0.2814  385.426   87.143  315.321   91.576 70.10516 126.4126 
1 1 1   14   12    9 o  1052.83   37.031   5.1862   0.3587   5.2231   0.5050   5.1486   0.5097  1047.88   52.373  1038.40   53.529 9.478394 74.88867 
1 1 1   14   12   10 o  702.265   53.508   2.3631   0.3432   1.6898   0.4334   3.4945   0.5618  576.372   84.205  840.850   73.347 -264.4782 111.6702 
1 1 1   14   12   11 o  342.146   80.807   0.6037   0.2503   0.5732   0.3347   0.6425   0.3772  328.594  100.945  345.305  107.356 -16.71127 147.3608 
1 1 1   14   12   12 o  171.176   75.825  -0.0463   0.2367  -0.1591   0.3205   0.0892   0.3512  183.838   84.164  227.966   96.616 -44.12833 128.1335 
1 1 1   14   12   13 o  936.927   58.664   4.2183   0.5032   4.0792   0.7183   4.3524   0.7052  897.982   88.064  932.315   83.070 -34.33325 121.0614 
1 1 1   14   12   14 o  1028.54   45.891   4.9793   0.4343   5.4207   0.6214   4.5577   0.6073  1060.29   63.993  968.645   68.577 91.64191 93.79775 
1 1 1   14   12   15 o  433.560   93.407   0.9755   0.3616   0.4605   0.5434   1.3849   0.4845  323.749  126.308  510.982  106.501 -187.2329 165.2148 
1 1 1   14   12   16 o  762.615   59.410   2.8015   0.4136   2.1790   0.5542   3.5841   0.6214  649.456   95.601  847.803   80.624 -198.3469 125.0591 
1 1 1   14   12   17 o  271.179  105.740   0.3089   0.3807   0.0161   0.4388   1.2004   0.7656  236.830  104.145  436.794  153.597 -199.9643 185.5751 
1 1 1   14   12   18 o  554.946  104.727   1.7052   0.5152   1.9551   0.5686   0.5592   1.2176  591.566  108.449  363.615  165.541 227.9509 197.9010 
1 1 1   14   12   19 o  742.524   69.352   2.8122   0.4684   3.0617   0.6595   2.5582   0.6653  739.189   99.487  657.575  114.081 81.61353 151.3678 
1 1 1   14   12   20 o  433.641  119.656   1.2497   0.4930   1.2670   0.6414   1.2248   0.7708  402.920  140.649  378.021  149.530 24.89923 205.2839 
1 1 1   14   14    0 o  643.402   42.130   1.9334   0.2480   1.8725   0.2590   2.6088   0.8623  632.523   44.789  703.890  138.065 -71.36658 145.1480 
1 1 1   14   14    1 o  627.458   40.826   1.8390   0.2344   1.8095   0.2454   2.1469   0.7928  621.838   43.156  633.440  139.757 -11.60223 146.2682 
1 1 1   14   14    2 o  640.029   47.303   1.9255   0.2766   1.9015   0.2965   2.0861   0.7676  634.868   51.195  622.139  137.724 12.72925 146.9312 
1 1 1   14   14    3 o  1242.60   28.557   7.1512   0.3265   6.8615   0.4020   7.7128   0.5598  1214.83   35.962  1283.06   47.413 -68.22461 59.50908 
1 1 1   14   14    4 o  847.987   33.839   3.3429   0.2640   3.8513   0.3367   2.5306   0.4256  908.237   40.286  725.513   64.417 182.7240 75.97666 
1 1 1   14   14    5 o  180.568   71.589   0.0951   0.1771   0.0247   0.2191   0.2276   0.3007  179.065   76.118  245.009   94.409 -65.94421 121.2726 
1 1 1   14   14    6 f  329.107   63.285   0.5359   0.1847   0.5400   0.2648   0.5320   0.2577  323.451   87.051  321.390   85.610 2.060944 122.0944 
1 1 1   14   14    7 o  641.978   41.394   1.9425   0.2432   1.9361   0.3448   1.9489   0.3432  632.784   59.930  635.150   59.404 -2.366638 84.38246 
1 1 1   14   14    8 o  179.986   73.924   0.0711   0.1963   0.3078   0.2919  -0.1244   0.2653  259.356   94.401  169.713   77.265 89.64304 121.9894 
1 1 1   14   14    9 o  334.573   76.619   0.5725   0.2308   0.7958   0.3413   0.3843   0.3133  386.749   96.271  280.129   98.278 106.6201 137.5746 
1 1 1   14   14   10 o  307.521   86.662   0.4920   0.2557   0.1087   0.3464   0.9511   0.3791  229.766   96.590  421.643   99.351 -191.8774 138.5650 
1 1 1   14   14   11 o  678.353   51.621   2.2000   0.3198   2.3434   0.4522   2.0565   0.4523  688.045   72.520  640.427   78.391 47.61847 106.7911 
1 1 1   14   14   12 o  946.256   49.758   4.2536   0.4317   4.1881   0.5413   4.3680   0.7157  929.711   63.654  932.234   84.353 -2.523560 105.6751 
1 1 1   14   14   13 o  1020.28   67.186   5.0501   0.6272   4.9212   0.7748   5.2953   1.0686  991.303   85.781  992.626  119.383 -1.322510 147.0058 
1 1 1   14   14   14 o  944.718   54.962   4.2548   0.4757   3.4671   0.7031   4.9199   0.6461  825.073   94.304  1005.20   70.290 -180.1256 117.6175 
1 1 1   14   14   15 o  377.016   87.297   0.7359   0.2969   1.1841   0.4233   0.3023   0.4164  473.542  100.279  278.675  110.010 194.8671 148.8557 
1 1 1   14   14   16 o  214.867   90.987   0.0754   0.3110   0.5706   0.4430  -0.4063   0.4368  329.637  116.737  192.939   91.515 136.6978 148.3323 
1 1 1   14   14   17 o  236.590  100.672   0.1204   0.3839  -0.2496   0.4677   0.8844   0.6721  212.115   98.711  381.209  142.442 -169.0942 173.3018 
1 1 1   14   14   18 o  384.826  106.722   0.8654   0.3911   1.1819   0.5532   0.5492   0.5530  429.353  129.360  315.767  126.097 113.5862 180.6497 
1 1 1   14   14   19 o  180.059   85.481  -0.2809   0.3828  -0.7810   0.5272   0.2767   0.5567  179.902   88.726  268.213  117.639 -88.31169 147.3470 
1 1 1   14   14   20 o  324.959  116.567   0.7370   0.4430   1.4800   0.6366   0.0395   0.6169  426.695  140.200  241.738  112.786 184.9571 179.9355 
1 1 1   14   16    0 o  310.239   54.098   0.4659   0.1488   0.6895   0.1914   0.1242   0.2366  378.191   56.757  207.493   82.603 170.6976 100.2222 
1 1 1   14   16    1 o  243.027   64.981   0.2918   0.1481   0.2216   0.1995   0.3779   0.2211  223.768   78.428  275.600   81.491 -51.83234 113.1005 
1 1 1   14   16    2 o  911.559   36.051   3.8705   0.3024   4.2290   0.4314   3.5244   0.4239  946.409   49.717  861.897   53.721 84.51196 73.19700 
1 1 1   14   16    3 o  274.161   64.188   0.3740   0.1591   0.4255   0.1895   0.2513   0.2926  291.055   71.327  248.511   93.755 42.54422 117.8030 
1 1 1   14   16    4 o  329.064   63.045   0.5353   0.1839   0.3432   0.2203   0.9785   0.3344  262.688   82.092  437.431   86.154 -174.7430 119.0026 
1 1 1   14   16    5 o  292.657   74.762   0.4353   0.2021   0.2843   0.2415   0.7872   0.3688  246.790   86.304  383.585  102.516 -136.7957 134.0071 
1 1 1   14   16    6 o  302.828   79.705   0.4710   0.2251   0.3583   0.2718   0.7170   0.4016  270.052   91.671  363.379  110.387 -93.32712 143.4878 
1 1 1   14   16    7 o  671.679   48.783   2.1480   0.2994   2.1600   0.3606   2.1214   0.5374  668.294   59.256  639.802   94.096 28.49200 111.1999 
1 1 1   14   16    8 o  331.122   89.874   0.5756   0.2808   0.4069   0.2959   2.1055   0.8911  284.295   95.649  573.789  161.794 -289.4934 187.9522 
1 1 1   14   16    9 o  161.376   75.117  -0.2031   0.2711  -0.2039   0.2879  -0.1972   0.8060  167.285   77.713  285.913  131.839 -118.6280 153.0385 
1 1 1   14   16   10 o  394.218   77.014   0.7900   0.2693   0.9654   0.3637   0.5772   0.4008  427.424   94.950  330.248  111.312 97.17603 146.3071 
1 1 1   14   16   11 o  453.536   74.277   1.0304   0.2992   1.1388   0.4095   0.9061   0.4384  463.866   98.959  405.810  113.142 58.05615 150.3125 
1 1 1   14   16   12 o  742.774   56.532   2.6437   0.3835   3.1454   0.6115   2.3184   0.4923  791.396   85.318  681.950   79.978 109.4463 116.9428 
1 1 1   14   16   13 o  312.280  115.811   0.4606   0.4426   0.6425   0.8976   0.4022   0.5088  379.573  157.199  309.717  121.810 69.85599 198.8702 
1 1 1   14   16   14 o  634.721   63.677   1.9575   0.3669   1.5524   0.4936   2.4574   0.5484  542.298  102.682  696.456   87.506 -154.1579 134.9106 
1 1 1   14   16   15 o  401.432   89.353   0.8442   0.3216   0.9347   0.4388   0.7391   0.4726  410.252  112.747  365.044  120.839 45.20737 165.2700 
1 1 1   14   16   16 o  388.842  107.595   0.8489   0.3980   0.6842   0.5044   1.1206   0.6479  348.170  124.434  422.650  141.531 -74.47998 188.4540 
1 1 1   14   16   17 o  374.567  104.024   0.8067   0.3713   0.7880   0.4976   0.8301   0.5578  358.775  123.957  363.919  130.773 -5.143616 180.1859 
1 1 1   14   16   18 o  298.198  110.616   0.5246   0.4039   0.7501   0.5950   0.3319   0.5500  335.070  131.740  276.515  119.134 58.55548 177.6189 
1 1 1   14   16   19 o  265.716  108.262   0.3982   0.4168   0.1060   0.5841   0.7016   0.5951  245.587  112.871  312.190  128.521 -66.60289 171.0484 
1 1 1   14   18    0 o  640.842   43.082   1.9343   0.2526   2.0879   0.3329   1.7259   0.3878  661.095   55.223  592.654   72.628 68.44049 91.23797 
1 1 1   14   18    1 o  522.682   50.085   1.3021   0.2379   1.3439   0.3206   1.2508   0.3550  523.656   68.153  499.349   79.956 24.30719 105.0604 
1 1 1   14   18    2 f  378.633   70.340   0.7154   0.2360   0.5143   0.3093   0.9956   0.3652  315.076   97.095  437.168   93.610 -122.0925 134.8718 
1 1 1   14   18    3 o  387.387   91.242   0.7841   0.3199   0.8567   0.3468   0.3700   0.8284  403.515   94.974  341.612  146.681 61.90237 174.7437 
1 1 1   14   18    4 o  146.257   70.930  -0.4498   0.2972  -0.4630   0.3222  -0.3745   0.7704  153.850   74.428  268.842  125.636 -114.9921 146.0268 
1 1 1   14   18    5 o  138.454   64.196  -0.1463   0.1950  -0.1977   0.2346  -0.0313   0.3508  148.194   69.280  209.840   92.660 -61.64619 115.6964 
1 1 1   14   18    6 o  278.797   85.473   0.3970   0.2401   0.2949   0.2891   0.6238   0.4309  255.575   93.804  341.294  115.415 -85.71928 148.7277 
1 1 1   14   18    7 o  428.950   72.570   0.9233   0.2762   0.9691   0.3383   0.8318   0.4784  431.759   88.138  384.993  121.093 46.76639 149.7725 
1 1 1   14   18    8 o  323.693   86.996   0.5474   0.2647   0.5491   0.3327   0.5444   0.4369  322.171  100.926  324.614  115.830 -2.442505 153.6311 
1 1 1   14   18    9 o  534.754   66.373   1.4059   0.3196   1.5032   0.3998   1.2336   0.5319  544.260   82.409  466.969  122.318 77.29163 147.4884 
1 1 1   14   18   10 o  1011.16   52.694   4.8730   0.4886   5.1819   0.6640   4.5083   0.7215  1028.90   70.559  948.101   83.556 80.80078 109.3632 
1 1 1   14   18   11 o  752.216   66.373   2.7505   0.4547   2.2048   0.6162   3.4028   0.6737  645.995  107.442  818.999   90.929 -173.0045 140.7550 
1 1 1   14   18   12 o  163.719   76.272  -0.2186   0.2804  -0.5371   0.4025   0.0821   0.3910  174.065   83.956  237.985  101.439 -63.92059 131.6764 
1 1 1   14   18   13 o  765.544   68.602   2.8660   0.4781   2.4550   0.7019   3.2219   0.6531  671.520  117.895  794.986   90.910 -123.4661 148.8752 
1 1 1   14   18   14 f  595.125   70.556   1.7561   0.3789   1.4656   0.4955   2.1647   0.5877  519.596  107.204  636.955  103.855 -117.3588 149.2598 
1 1 1   14   18   15 o  567.898   82.308   1.6621   0.4176   1.4124   0.5212   2.1096   0.6977  497.105  116.057  595.931  130.827 -98.82574 174.8855 
1 1 1   14   18   16 f  454.260   98.198   1.1499   0.3985   1.0475   0.5356   1.2770   0.5965  407.257  128.131  443.902  134.445 -36.64438 185.7233 
1 1 1   14   18   17 o  376.555  107.450   0.8634   0.3906   0.6218   0.5391   1.1305   0.5668  316.947  125.152  403.963  132.263 -87.01605 182.0895 
1 1 1   14   18   18 o  178.368   84.602  -0.2408   0.3733  -0.5716   0.5167   0.1203   0.5399  185.871   90.886  242.552  110.350 -56.68095 142.9591 
1 1 1   14   20    0 o  777.898   55.280   2.8951   0.3931   2.6492   0.4171   4.8529   1.1767  740.444   61.779  919.561  143.779 -179.1164 156.4900 
1 1 1   14   20    1 o  155.874   70.998  -0.1143   0.2243  -0.2087   0.2911   0.0236   0.3520  168.386   78.199  218.740   94.769 -50.35352 122.8671 
1 1 1   14   20    2 f  1173.56   41.224   6.4669   0.4452   7.2180   0.6304   5.7198   0.6287  1229.62   55.715  1087.49   63.101 142.1324 84.17739 
1 1 1   14   20    3 o  831.425   48.806   3.2840   0.3718   3.2553   0.5165   3.3149   0.5355  814.756   69.557  820.723   71.627 -5.967285 99.84309 
1 1 1   14   20    4 o  300.579   92.114   0.4685   0.2789   0.7346   0.4073   0.2338   0.3826  366.690  111.117  259.221  104.396 107.4692 152.4646 
1 1 1   14   20    5 o  846.287   53.437   3.4268   0.4140   3.1807   0.5735   3.6945   0.5982  797.253   79.228  862.213   76.184 -64.96008 109.9139 
1 1 1   14   20    6 o  668.246   62.270   2.1721   0.3785   1.8990   0.5174   2.4865   0.5552  602.594   96.566  697.140   88.539 -94.54535 131.0121 
1 1 1   14   20    7 o  894.836   46.311   3.7933   0.3800   3.7065   0.4653   3.9672   0.6585  877.408   57.962  889.260   81.374 -11.85175 99.90668 
1 1 1   14   20    8 o  311.031   94.434   0.5040   0.2940   0.5392   0.3659   0.4399   0.4940  321.342  106.315  311.575  120.738 9.767151 160.8741 
1 1 1   14   20    9 o  284.288   97.332   0.3982   0.3065   0.0751   0.3678   1.1325   0.5544  230.834   98.387  446.589  128.198 -215.7551 161.6006 
1 1 1   14   20   10 o  224.976   97.577   0.0231   0.3739  -0.3234   0.5268   0.3751   0.5309  224.973  104.716  307.812  123.327 -82.83873 161.7873 
1 1 1   14   20   11 o  519.224   81.672   1.3599   0.3773   1.6158   0.4716   0.9045   0.6290  558.677   95.143  400.528  139.320 158.1482 168.7075 
1 1 1   14   20   12 o  320.261  103.020   0.5382   0.3447   0.5757   0.4186   0.4593   0.6076  331.141  113.737  326.398  131.529 4.743256 173.8846 
1 1 1   14   20   13 o  438.445  137.364   1.1601   0.6163   1.1601   0.6163   0.0000   0.0000  438.445  137.364  ?   ?  0.000000 137.3638 
1 1 1   14   20   14 o  721.371   79.788   2.6628   0.5208   3.0688   0.5969   1.3694   1.0654  768.958   85.825  432.105  174.151 336.8529 194.1510 
1 1 1   14   20   15 o  535.586   96.060   1.5819   0.4560   1.2149   0.5573   2.3252   0.7932  435.743  129.510  588.150  146.977 -152.4068 195.8955 
1 1 1   14   20   16 o  466.587   95.668   1.2455   0.3969   0.7291   0.5427   1.8396   0.5821  332.639  127.162  539.944  120.244 -207.3044 175.0110 
1 1 1   14   20   17 o  189.898   89.082  -0.1644   0.3936  -0.6391   0.5268   0.4354   0.5922  183.672   90.212  279.281  121.943 -95.60966 151.6852 
1 1 1   14   20   18 o  261.053  120.946   0.3028   0.6902   1.0183   1.2313  -0.0251   0.8335  308.255  148.216  249.094  120.313 59.16045 190.9010 
1 1 1   14   22    0 o  344.639   89.498   0.6197   0.2863   1.2414   0.3734  -0.2682   0.4462  493.226   85.359  209.140   97.017 284.0864 129.2229 
1 1 1   14   22    1 o  309.932   93.704   0.4993   0.2899   0.3476   0.3734   0.7295   0.4600  280.047  105.857  365.556  119.126 -85.50861 159.3629 
1 1 1   14   22    2 o  863.362   51.224   3.5514   0.4051   3.8122   0.5647   3.2749   0.5815  881.614   70.193  810.142   79.014 71.47266 105.6893 
1 1 1   14   22    3 o  568.969   69.587   1.5979   0.3567   1.5961   0.4958   1.5998   0.5136  548.632  101.971  546.457  105.968 2.174377 147.0622 
1 1 1   14   22    4 o  568.614   71.567   1.6020   0.3662   1.9362   0.5145   1.2592   0.5212  610.723   94.623  474.212  119.487 136.5102 152.4159 
1 1 1   14   22    5 o  375.651  100.054   0.7550   0.3520   0.6954   0.5016   0.8128   0.4942  358.330  124.421  381.892  123.405 -23.56210 175.2409 
1 1 1   14   22    6 o  615.078   73.496   1.8746   0.4077   1.6945   0.5608   2.0765   0.5938  558.661  112.976  624.457  107.211 -65.79657 155.7488 
1 1 1   14   22    7 o  218.184   94.272   0.0286   0.3464  -0.5120   0.4744   0.6456   0.5069  195.959   93.627  350.808  124.805 -154.8485 156.0202 
1 1 1   14   22    8 o  283.897  102.215   0.3800   0.3409   0.7238   0.4196  -0.2882   0.5850  366.450  113.106  241.229  111.613 125.2211 158.9040 
1 1 1   14   22    9 o  323.642   99.706   0.5468   0.3262   0.9919   0.4153  -0.1705   0.5272  429.827  105.727  239.003  108.856 190.8235 151.7492 
1 1 1   14   22   10 o  397.740  101.845   0.8481   0.3744   1.2751   0.4955   0.2802   0.5714  482.217  113.545  298.123  124.608 184.0938 168.5809 
1 1 1   14   22   11 o  863.325   59.274   3.6031   0.4680   3.4904   0.5707   3.8344   0.8177  837.890   74.813  846.891  107.345 -9.001221 130.8437 
1 1 1   14   22   12 o  211.456   94.799  -0.0637   0.3817   0.0347   0.4253  -0.4706   0.8647  234.514  102.844  271.204  128.672 -36.68990 164.7220 
1 1 1   14   22   13 o  190.378   91.540  -0.4995   0.4697  -0.3328   0.5422  -1.0011   0.9407  219.616  103.499  249.631  122.181 -30.01477 160.1259 
1 1 1   14   22   14 o  579.644   95.133   1.8608   0.4898   2.5934   0.6263   0.7074   0.7859  674.878  104.211  339.931  144.328 334.9467 178.0183 
1 1 1   14   22   15 o  633.699   84.663   2.2049   0.4813   2.5511   0.6100   1.6335   0.7836  656.137  104.539  440.291  155.336 215.8460 187.2367 
1 1 1   14   22   16 o  296.941  113.301   0.5896   0.4303   0.6224   0.5326   0.5278   0.7305  299.191  122.189  289.907  130.465 9.284393 178.7492 
1 1 1   14   24    0 o  471.947   79.889   1.1231   0.3346   1.1394   0.4411   1.1011   0.5133  461.157  106.152  444.333  121.881 16.82394 161.6266 
1 1 1   14   24    1 o  472.329   84.688   1.1370   0.3545   1.3496   0.4830   0.8885   0.5221  501.661  107.844  398.818  126.625 102.8433 166.3253 
1 1 1   14   24    2 o  285.159  102.223   0.3875   0.3406   0.6815   0.4826   0.0955   0.4809  356.872  122.132  258.996  111.497 97.87628 165.3712 
1 1 1   14   24    3 o  179.506   83.172  -0.2179   0.3265  -0.4233   0.4370   0.0416   0.4912  192.930   91.518  254.406  111.070 -61.47612 143.9168 
1 1 1   14   24    4 f  739.520   66.442   2.6606   0.4473   2.2098   0.6068   3.1972   0.6620  647.903  105.403  791.985   92.583 -144.0819 140.2901 
1 1 1   14   24    5 o  244.132  103.160   0.1113   0.3985  -0.7232   0.6188   0.7024   0.5208  217.110  104.563  363.118  126.742 -146.0081 164.3072 
1 1 1   14   24    6 f  1378.51   57.208   9.0672   0.7257   8.2528   1.1100   9.6750   0.9590  1272.67   95.478  1405.07   74.437 -132.4006 121.0661 
1 1 1   14   24    7 o  335.268  117.982   0.5799   0.4518   0.2674   0.7251   0.7782   0.5775  319.310  137.174  377.476  133.338 -58.16592 191.3001 
1 1 1   14   24    8 o  371.595  110.498   0.7520   0.4056   0.4839   0.5822   1.0051   0.5655  327.793  129.859  418.143  131.679 -90.34982 184.9399 
1 1 1   14   24    9 o  655.961  104.778   2.2979   0.6111   2.1305   1.0476   2.3842   0.7524  551.087  179.789  643.806  131.460 -92.71960 222.7234 
1 1 1   14   24   10 o  219.737   97.418  -0.0209   0.3915   0.0223   0.4519  -0.1510   0.7840  239.085  105.393  281.396  129.852 -42.31110 167.2401 
1 1 1   14   24   11 o  978.976   72.138   4.8124   0.6453   4.7450   0.7731   4.9671   1.1713  951.349   89.367  886.924  148.794 64.42523 173.5686 
1 1 1   14   24   12 o  263.157  116.361   0.1395   0.5550  -0.5191   0.6244   2.6203   1.2118  220.045  105.737  530.443  192.451 -310.3979 219.5857 
1 1 1   14   24   13 o  279.248  110.940   0.4135   0.4260   0.4048   0.5083   0.4341   0.7808  283.748  117.971  305.132  136.280 -21.38443 180.2483 
1 1 1   14   24   14 o  180.803   86.666  -0.3343   0.4138  -0.2032   0.5040  -0.6053   0.7247  209.715   99.124  219.415  107.360 -9.699585 146.1226 
1 1 1   14   24   15 o  255.261  108.909   0.3547   0.4515   0.9283   0.5648  -0.6602   0.7513  337.907  129.597  213.367  105.359 124.5392 167.0210 
1 1 1   14   26    0 o  775.410   63.437   2.8994   0.4487   3.1028   0.5921   2.6251   0.6876  790.063   82.667  707.326  109.157 82.73688 136.9276 
1 1 1   14   26    1 o  477.303   97.149   1.1851   0.4122   0.6110   0.5291   2.0708   0.6573  348.335  127.047  618.456  119.827 -270.1208 174.6409 
1 1 1   14   26    2 o  365.482  116.652   0.7157   0.4426   0.0342   0.6290   1.3845   0.6230  281.599  124.225  493.053  133.877 -211.4534 182.6330 
1 1 1   14   26    3 o  731.536   80.466   2.6638   0.5327   2.4857   0.8265   2.7903   0.6967  658.550  140.671  728.843  107.071 -70.29303 176.7841 
1 1 1   14   26    4 o  1019.52   67.820   5.0535   0.6326   6.2337   1.0192   4.3138   0.8068  1096.97  102.145  916.359   97.171 180.6111 140.9818 
1 1 1   14   26    5 o  229.053  100.787  -0.0101   0.4115  -0.1019   0.5702   0.0897   0.5945  254.189  114.748  278.975  121.982 -24.78654 167.4715 
1 1 1   14   26    6 f  352.457  117.699   0.6760   0.4481   0.9853   0.6194   0.3365   0.6490  410.304  138.375  314.100  132.130 96.20352 191.3270 
1 1 1   14   26    7 o  262.737  107.890   0.2271   0.4181  -0.2179   0.5724   0.7357   0.6120  240.861  111.080  364.247  135.960 -123.3864 175.5671 
1 1 1   14   26    8 o  217.559  101.893  -0.3120   0.5114  -0.0833   0.7530  -0.5078   0.6968  280.967  128.774  240.921  114.652 40.04517 172.4171 
1 1 1   14   26    9 o  293.661  125.812   0.2996   0.6070   0.8251   0.9061  -0.1283   0.8176  371.479  156.190  281.635  130.880 89.84335 203.7762 
1 1 1   14   26   10 f  463.112  121.229   1.3132   0.5226   1.0173   0.7010   1.6837   0.7843  385.798  145.212  481.042  155.461 -95.24350 212.7315 
1 1 1   14   26   11 o  167.393   81.428  -0.5165   0.3997  -0.3720   0.4767  -0.8589   0.7338  196.684   93.939  216.282  106.277 -19.59776 141.8431 
1 1 1   14   26   12 o  295.121  126.314   0.5126   0.6108   0.0095   0.6894   2.3495   1.3174  254.002  118.749  423.294  183.370 -169.2926 218.4631 
1 1 1   14   26   13 o  250.695  107.870   0.3055   0.4497   0.0265   0.5516   0.8585   0.7766  231.521  107.562  318.450  139.328 -86.92931 176.0167 
1 1 1   14   26   14 o  309.896  136.426   0.9097   0.7548   0.9097   0.7548   0.0000   0.0000  309.896  136.426  ?   ?  0.000000 136.4259 
1 1 1   14   28    0 o  498.848  106.012   1.3283   0.4716   1.1459   0.6460   1.5365   0.6902  443.104  140.867  511.231  141.765 -68.12634 199.8517 
1 1 1   14   28    1 o  241.074  102.915   0.0895   0.4036  -0.2578   0.5187   0.6220   0.6424  228.059  105.374  354.176  137.562 -126.1175 173.2828 
1 1 1   14   28    2 o  354.443  118.429   0.6824   0.4536   1.2512   0.6279   0.0614   0.6561  460.101  137.632  285.267  126.304 174.8343 186.8027 
1 1 1   14   28    3 o  504.383  107.491   1.3831   0.4836   2.2290   0.6899   0.5658   0.6781  629.653  123.491  345.014  138.977 284.6384 185.9161 
1 1 1   14   28    4 o  532.263  106.411   1.5429   0.5030   2.3334   0.7328   0.8390   0.6915  635.106  129.778  381.121  144.055 253.9844 193.8923 
1 1 1   14   28    5 o  257.102  110.401   0.1406   0.4693  -0.1666   0.6536   0.4677   0.6744  258.284  118.963  326.019  135.740 -67.73505 180.4923 
1 1 1   14   28    6 o  608.820  108.984   2.0688   0.5881   2.2650   0.7480   1.7513   0.9518  606.651  137.214  484.632  171.172 122.0187 219.3801 
1 1 1   14   28    7 o  662.395  136.580   2.7434   0.8048   4.3674   1.3372   1.8209   1.0078  734.978  194.640  473.948  174.950 261.0291 261.7103 
1 1 1   14   28    8 o  420.567  144.649   1.2557   0.6772   2.8109   1.2759   0.6458   0.7990  527.936  196.455  334.586  143.872 193.3503 243.5029 
1 1 1   14   28    9 f  284.160  119.571   0.4020   0.5317  -0.0105   0.7017   0.9582   0.8148  260.283  121.054  356.427  148.869 -96.14462 191.8755 
1 1 1   14   28   10 o  252.205  112.245   0.2040   0.5247  -0.2607   0.6901   0.8406   0.8078  234.680  112.342  329.979  143.268 -95.29939 182.0612 
1 1 1   14   28   11 o  291.962  129.381   0.5808   0.6899   0.5719   0.7915   0.6088   1.4074  292.565  133.299  302.381  148.301 -9.816284 199.4038 
1 1 1   14   28   12 o  276.538  125.646   0.5280   0.6970   0.1090   1.1054   0.8044   0.8980  264.984  130.257  296.962  137.714 -31.97748 189.5569 
1 1 1   14   30    0 o  239.514  111.520  -0.2700   0.5982   1.6716   1.3155  -0.7761   0.6716  461.310  190.619  219.982  106.671 241.3270 218.4362 
1 1 1   14   30    1 o  184.844   89.310  -0.5632   0.4603   0.2612   0.6358  -1.4708   0.6671  295.542  127.710  186.365   93.203 109.1775 158.1032 
1 1 1   14   30    2 o  267.223  112.410   0.2335   0.4697   0.9352   0.6633  -0.4721   0.6652  385.336  141.991  234.712  111.787 150.6236 180.7147 
1 1 1   14   30    3 o  519.381  123.517   1.6230   0.5817   2.0732   0.7531   0.9572   0.9158  563.612  144.527  380.719  158.322 182.8927 214.3684 
1 1 1   14   30    5 f  381.492  146.559   1.0473   0.7231   2.7410   1.2485   0.1924   0.8870  519.960  194.171  299.418  138.152 220.5417 238.3027 
1 1 1   14   30    6 o  337.928  135.176   0.7725   0.6367   2.1924   1.2461   0.2710   0.7406  444.078  184.675  287.067  130.073 157.0110 225.8845 
1 1 1   14   30    7 o  238.356  109.256   0.0300   0.5423  -0.0102   0.7399   0.0767   0.7971  258.765  121.626  270.042  126.705 -11.27634 175.6338 
1 1 1   14   30    8 o  447.173  138.831   1.5694   0.6311   1.7092   0.8471   1.3950   0.9462  414.637  158.781  365.187  156.784 49.44943 223.1424 
1 1 1   14   30    9 o  619.263  120.137   2.6314   0.6599   3.2175   0.9229   2.0183   0.9439  588.850  164.160  411.530  164.600 177.3202 232.4691 
1 1 1   14   30   10 f  335.460  163.513   2.4837   1.6348   0.0000   0.0000   2.4837   1.6348  ?   ?   335.460  163.513 0.000000 163.5127 
1 1 1   14   32    0 o  356.401  132.906   0.8503   0.5845   0.6278   0.6934   1.3968   1.0869  324.684  136.578  396.946  169.160 -72.26254 217.4135 
1 1 1   14   32    1 o  318.754  130.099   0.6244   0.6033   0.3465   0.7159   1.3057   1.1207  293.037  130.711  381.178  167.055 -88.14133 212.1150 
1 1 1   14   32    2 o  384.646  150.172   1.1999   0.7686   2.0471   1.3421   0.7865   0.9376  414.283  182.159  335.204  149.549 79.07959 235.6834 
1 1 1   14   32    3 o  230.909  110.398  -0.2822   0.6619   1.5873   1.3632  -0.8589   0.7571  370.515  171.063  214.445  105.868 156.0703 201.1727 
1 1 1   14   32    4 o  277.582  121.495   0.4072   0.5910   1.6294   0.8401  -0.7905   0.8317  411.491  157.998  223.797  110.574 187.6937 192.8468 
1 1 1   14   32    5 o  200.325   98.146  -0.5715   0.6115  -0.9601   0.8193  -0.0827   0.9188  212.101  105.635  258.708  125.285 -46.60664 163.8748 
1 1 1   14   32    6 o  248.252  115.748   0.1663   0.6480   0.2150   0.8703   0.1058   0.9706  264.838  126.613  263.970  128.054 0.8682251 180.0794 
1 1 1   14   32    7 o  228.008  111.186  -0.2301   0.7582   0.8745   1.3032  -0.7954   0.9323  292.143  143.163  220.877  110.421 71.26604 180.7990 
1 1 1   14   34    0 o  227.988  108.213  -0.0970   0.6128  -0.1454   0.7519  -0.0013   1.0577  239.710  115.400  267.612  130.679 -27.90222 174.3391 
1 1 1   14   34    1 o  481.026  148.431   2.0349   0.7227   1.5186   1.0001   2.5991   1.0454  352.568  156.029  449.972  175.290 -97.40384 234.6733 
1 1 1   14   34    2 o  332.857  140.495   1.0976   0.7378   1.0055   1.0233   1.1973   1.0646  308.333  144.318  318.419  148.430 -10.08597 207.0247 
1 1 1   14   34    3 o  231.536  117.478  -1.3579   1.2935  -1.3579   1.2935   0.0000   0.0000  231.536  117.478  ?   ?  0.000000 117.4775 
1 1 1   15    1    0 o  2340.92   32.442   25.245   0.6988   24.521   0.9748   26.011   1.0023  2305.56   45.947  2374.59   45.873 -69.02612 64.92641 
1 1 1   15    1    1 o  1182.94   35.103   6.4492   0.3821   6.4098   0.5439   6.4875   0.5369  1178.29   50.167  1185.48   49.219 -7.194580 70.27968 
1 1 1   15    1    2 o  805.540   38.370   2.9926   0.2844   3.2253   0.4128   2.7822   0.3924  833.572   54.110  773.760   55.482 59.81128 77.49975 
1 1 1   15    1    3 o  1223.89   34.566   6.9086   0.3893   6.8188   0.5500   6.9986   0.5510  1214.39   49.222  1230.36   48.670 -15.97351 69.22079 
1 1 1   15    1    4 o  630.495   40.592   1.8446   0.2342   1.7865   0.3275   1.9055   0.3352  617.624   58.309  638.156   57.713 -20.53186 82.04092 
1 1 1   15    1    5 o  546.847   44.890   1.3952   0.2239   1.1644   0.3088   1.6510   0.3251  494.022   69.877  592.081   60.523 -98.05954 92.44341 
1 1 1   15    1    6 o  1304.39   41.700   7.8951   0.5005   7.7926   0.8583   7.9479   0.6161  1282.76   73.017  1305.90   51.271 -23.14453 89.21988 
1 1 1   15    1    7 o  368.385   90.814   0.6808   0.3059   0.7908   0.4231   0.5605   0.4427  393.600  111.667  342.766  116.976 50.83435 161.7183 
1 1 1   15    1    8 o  358.189   79.348   0.6412   0.2546   0.6668   0.4488   0.6290   0.3092  362.123  117.647  351.573   93.839 10.55038 150.4876 
1 1 1   15    1    9 o  813.562   54.691   3.1447   0.4070   3.1346   0.4952   3.1657   0.7146  805.717   67.417  787.700  100.915 18.01660 121.3625 
1 1 1   15    1   10 f  229.461   89.881   0.1854   0.2760   0.5840   0.4734  -0.0199   0.3398  338.748  120.608  209.696   91.940 129.0518 151.6546 
1 1 1   15    1   11 o  392.197   94.618   0.8107   0.3375   0.2406   0.3958   2.3314   0.6464  263.640  106.182  659.937  110.340 -396.2966 153.1321 
1 1 1   15    1   12 o  340.226   98.921   0.6150   0.3282   0.5790   0.3940   0.6966   0.5933  331.095  110.368  361.574  134.084 -30.47925 173.6648 
1 1 1   15    1   13 o  529.557   67.464   1.3811   0.3213   1.4871   0.4394   1.2593   0.4709  535.301   92.551  481.424  108.864 53.87665 142.8883 
1 1 1   15    1   14 o  947.532   50.735   4.2714   0.4407   4.8915   0.6301   3.6775   0.6167  1000.58   68.861  859.213   78.882 141.3702 104.7106 
1 1 1   15    1   15 o  265.370   93.159   0.3325   0.2816   0.4656   0.3777   0.1659   0.4225  306.740  107.880  257.626  107.366 49.11417 152.2029 
1 1 1   15    1   16 o  1176.32   46.336   6.5101   0.5015   7.0238   0.6996   5.9672   0.7194  1209.05   63.106  1107.98   70.931 101.0673 94.93967 
1 1 1   15    1   17 o  372.438   95.981   0.7275   0.3310   0.7822   0.4638   0.6708   0.4725  379.636  119.200  356.210  120.862 23.42599 169.7533 
1 1 1   15    1   18 o  184.932   82.954  -0.0831   0.2927   0.1405   0.4141  -0.3065   0.4137  250.296  105.429  196.025   91.756 54.27179 139.7659 
1 1 1   15    1   19 o  413.179  133.312   1.0372   0.5769   1.6575   0.8691   0.5484   0.7714  489.258  163.919  342.647  144.092 146.6108 218.2476 
1 1 1   15    1   20 o  1255.86   52.922   7.6548   0.6116   7.8607   0.8732   7.4566   0.8568  1235.32   77.203  1201.92   77.895 33.40405 109.6718 
1 1 1   15    1   21 o  413.190  122.353   1.1399   0.4981   0.7801   0.6144   1.8298   0.8508  334.381  133.109  456.637  161.782 -122.2562 209.5025 
1 1 1   15    3    0 o  1458.06   33.703   9.7959   0.4522   10.338   0.6580   9.3103   0.6224  1496.76   47.775  1420.41   47.624 76.35632 67.45678 
1 1 1   15    3    1 o  665.421   40.825   2.0498   0.2488   2.0707   0.3648   2.0317   0.3401  666.428   60.143  660.581   56.491 5.846436 82.51357 
1 1 1   15    3    2 o  264.717   81.679   0.3257   0.2188   0.0346   0.3715   0.4804   0.2708  236.998   99.846  316.597   89.163 -79.59889 133.8634 
1 1 1   15    3    3 o  622.329   46.647   1.8006   0.2652   1.6419   0.4768   1.8717   0.3191  585.217   91.539  633.259   55.315 -48.04169 106.9537 
1 1 1   15    3    4 o  459.248   56.727   0.9942   0.2346   0.8755   0.4091   1.0524   0.2864  421.139  105.724  470.301   68.170 -49.16187 125.7966 
1 1 1   15    3    5 o  925.259   42.228   3.9672   0.3595   4.1877   0.6157   3.8531   0.4429  941.787   71.578  908.447   53.214 33.34009 89.19134 
1 1 1   15    3    6 o  137.190   60.852  -0.0500   0.1530  -0.0606   0.2150  -0.0390   0.2177  163.659   72.388  168.696   73.789 -5.037766 103.3671 
1 1 1   15    3    7 o  262.725   75.144   0.3378   0.1908   0.3895   0.2653   0.2824   0.2746  284.357   90.266  256.647   91.808 27.71042 128.7502 
1 1 1   15    3    8 o  555.433   73.374   1.5033   0.3658   1.5033   0.3658   0.0000   0.0000  555.433   73.374  ?   ?  0.000000 73.37361 
1 1 1   15    3    9 o  734.987   48.759   2.5535   0.3279   2.1615   0.4537   2.9821   0.4744  663.531   75.665  785.976   66.210 -122.4452 100.5432 
1 1 1   15    3   10 o  647.598   53.197   2.0029   0.3142   1.9791   0.4507   2.0253   0.4383  629.978   79.522  639.468   75.966 -9.489441 109.9749 
1 1 1   15    3   11 o  606.227   66.235   1.7981   0.3635   0.9297   0.5852   2.3436   0.4638  403.384  134.503  687.765   74.473 -284.3809 153.7439 
1 1 1   15    3   12 o  369.321   84.043   0.7054   0.2792   0.5358   0.3804   0.9035   0.4111  320.759  108.438  407.060  107.975 -86.30023 153.0275 
1 1 1   15    3   13 o  522.782   63.535   1.3367   0.2993   1.6543   0.4128   0.9844   0.4348  572.721   80.553  423.669  110.405 149.0524 136.6672 
1 1 1   15    3   14 o  459.374   78.740   1.0664   0.3209   1.1458   0.4285   0.9652   0.4841  462.774  103.245  415.450  119.949 47.32358 158.2631 
1 1 1   15    3   15 o  434.343   77.462   0.9484   0.2982   1.0935   0.3964   0.7592   0.4527  457.006   97.250  374.158  117.821 82.84885 152.7720 
1 1 1   15    3   16 o  767.788   65.815   2.8535   0.4605   2.9321   0.5420   2.6496   0.8729  771.215   77.426  680.775  143.856 90.44019 163.3685 
1 1 1   15    3   17 o  1145.83   58.770   6.2863   0.6176   6.4263   0.7121   5.8619   1.2403  1151.42   67.507  1026.88  134.494 124.5385 150.4851 
1 1 1   15    3   18 o  261.202  106.735   0.2206   0.4067   0.0745   0.5853   0.3570   0.5654  274.229  120.443  306.343  125.597 -32.11450 174.0144 
1 1 1   15    3   19 o  376.199  103.639   0.7877   0.3702   1.1658   0.5228   0.4072   0.5244  443.993  123.475  301.926  122.004 142.0663 173.5822 
1 1 1   15    3   20 o  615.359  104.342   2.1459   0.5697   2.7295   0.7552   1.3749   0.8680  665.275  128.006  421.108  160.853 244.1668 205.5708 
1 1 1   15    3   21 o  274.074  109.153   0.4139   0.4133   0.5714   0.5624   0.2290   0.6095  303.718  124.978  266.464  119.605 37.25403 172.9883 
1 1 1   15    5    0 f  1714.37   32.286   13.544   0.5093   13.235   0.7190   13.854   0.7216  1693.34   46.142  1732.59   45.263 -39.24976 64.63588 
1 1 1   15    5    1 o  435.677   52.105   0.8899   0.2047   1.0146   0.3391   0.8183   0.2568  459.945   83.184  414.408   69.839 45.53738 108.6141 
1 1 1   15    5    2 o  672.017   42.131   2.0939   0.2592   2.0221   0.4327   2.1340   0.3237  655.267   73.007  677.058   52.367 -21.79126 89.84550 
1 1 1   15    5    3 o  1198.16   37.172   6.6297   0.4098   6.1702   0.6582   6.9206   0.5237  1150.33   62.418  1222.86   46.544 -72.53308 77.86092 
1 1 1   15    5    4 o  1338.67   33.630   8.2781   0.4142   8.4102   0.5894   8.1491   0.5824  1346.60   47.563  1325.49   47.748 21.11169 67.39558 
1 1 1   15    5    5 f  516.086   45.565   1.2467   0.2142   1.3446   0.2945   1.1367   0.3120  532.638   61.196  486.365   71.883 46.27383 94.40409 
1 1 1   15    5    6 o  867.582   39.086   3.4938   0.3120   3.9076   0.4497   3.1095   0.4333  912.446   53.798  812.129   58.376 100.3176 79.38524 
1 1 1   15    5    7 o  639.157   51.457   1.9268   0.3001   1.7794   0.3640   2.2391   0.5300  609.240   65.994  674.727   87.415 -65.48700 109.5288 
1 1 1   15    5    8 o  867.626   42.726   3.5190   0.3411   3.6614   0.4777   3.3708   0.4873  876.675   59.566  839.016   63.589 37.65955 87.13043 
1 1 1   15    5    9 o  348.996   84.797   0.6238   0.2696   0.7941   0.3301   0.2821   0.4675  391.273   93.034  285.904  115.314 105.3691 148.1639 
1 1 1   15    5   10 o  361.312   76.310   0.6616   0.2458   0.8360   0.3442   0.4803   0.3510  398.767   95.127  307.703  104.170 91.06451 141.0693 
1 1 1   15    5   11 o  324.754   89.431   0.5507   0.2757   0.8922   0.4105   0.2699   0.3722  404.766  108.150  264.411  104.123 140.3553 150.1269 
1 1 1   15    5   12 o  506.151   65.140   1.2577   0.2963   1.4128   0.3941   1.0559   0.4496  526.535   84.167  438.491  111.254 88.04443 139.5045 
1 1 1   15    5   13 o  886.035   49.748   3.7341   0.4040   3.8783   0.5273   3.5291   0.6284  893.188   64.597  837.855   82.587 55.33368 104.8496 
1 1 1   15    5   14 o  346.455   88.994   0.6263   0.2852   0.9494   0.3743   0.1788   0.4404  423.411   98.005  262.099  109.460 161.3115 146.9233 
1 1 1   15    5   15 o  571.267   67.063   1.5936   0.3458   1.2721   0.4490   2.0621   0.5421  491.136  102.668  633.180   96.061 -142.0432 140.6000 
1 1 1   15    5   16 o  764.101   58.528   2.7982   0.4084   2.9793   0.5337   2.5422   0.6344  778.563   75.437  701.362  101.230 77.20020 126.2463 
1 1 1   15    5   17 f  616.323   80.290   1.8996   0.4445   2.2731   0.6400   1.5515   0.6179  653.533  110.355  524.265  128.973 129.2687 169.7421 
1 1 1   15    5   18 o  211.919   91.206   0.0411   0.3216   0.1212   0.4554  -0.0386   0.4543  254.805  109.067  234.154  104.311 20.65092 150.9182 
1 1 1   15    5   19 o  387.500  106.598   0.8493   0.3920   0.9338   0.5346   0.7510   0.5764  392.500  128.453  357.685  132.259 34.81580 184.3709 
1 1 1   15    5   20 o  433.026  140.288   1.3017   0.6384   1.3017   0.6384   0.0000   0.0000  433.026  140.288  ?   ?  0.000000 140.2879 
1 1 1   15    5   21 o  368.253  124.054   0.9473   0.4978   1.0974   0.5755   0.5013   0.9921  384.174  133.277  306.990  143.164 77.18491 195.5986 
1 1 1   15    7    0 o  1674.24   31.348   12.922   0.4829   12.706   0.6807   13.142   0.6853  1658.44   44.603  1686.76   44.154 -28.32666 62.76136 
1 1 1   15    7    1 o  337.890   52.222   0.5408   0.1571   0.3867   0.2378   0.6602   0.2093  285.374   84.554  372.000   63.426 -86.62656 105.6989 
1 1 1   15    7    2 o  1023.79   33.294   4.8376   0.3136   5.0926   0.4686   4.6307   0.4221  1048.55   48.569  1000.23   45.866 48.31982 66.80297 
1 1 1   15    7    3 o  1039.10   33.686   4.9878   0.3221   4.9314   0.4573   5.0434   0.4537  1031.03   48.205  1042.84   47.280 -11.81006 67.52116 
1 1 1   15    7    4 o  638.945   40.286   1.8994   0.2356   1.9067   0.3344   1.8922   0.3321  636.488   57.720  634.084   57.553 2.404724 81.50999 
1 1 1   15    7    5 o  666.497   51.980   2.0861   0.3163   2.4829   0.4535   1.7103   0.4413  722.165   69.086  593.467   83.090 128.6981 108.0591 
1 1 1   15    7    6 o  998.203   42.555   4.6401   0.3909   4.4135   0.4833   5.0682   0.6645  968.390   54.464  1030.33   70.509 -61.93652 89.09440 
1 1 1   15    7    7 o  678.156   43.651   2.1572   0.2709   2.2954   0.3614   1.9798   0.4094  695.048   57.007  639.650   70.748 55.39807 90.85738 
1 1 1   15    7    8 o  584.859   47.553   1.6180   0.2537   1.8286   0.3377   1.3453   0.3844  617.066   60.244  518.371   83.412 98.69519 102.8929 
1 1 1   15    7    9 o  652.355   60.770   2.0532   0.3606   1.8479   0.4265   2.5675   0.6751  609.753   77.795  697.730  108.685 -87.97668 133.6576 
1 1 1   15    7   10 o  507.656   57.169   1.2458   0.2624   0.9086   0.3307   1.8190   0.4311  418.611   88.616  602.131   79.781 -183.5204 119.2384 
1 1 1   15    7   11 o  507.400   62.315   1.2572   0.2848   1.4232   0.3700   1.0157   0.4463  532.185   77.859  429.712  111.794 102.4734 136.2351 
1 1 1   15    7   12 o  683.796   60.241   2.2641   0.3752   2.5971   0.5560   1.9857   0.5084  714.949   86.255  620.377   91.826 94.57257 125.9837 
1 1 1   15    7   13 o  926.345   48.404   4.0732   0.4112   4.5180   0.5481   3.5007   0.6218  966.431   61.960  835.065   81.976 131.3664 102.7577 
1 1 1   15    7   14 o  218.004   88.512   0.1328   0.2774  -0.2444   0.3474   0.7964   0.4608  183.192   85.193  380.879  118.691 -197.6878 146.1008 
1 1 1   15    7   15 o  1086.78   47.962   5.5683   0.4796   5.5743   0.6193   5.5593   0.7581  1076.54   62.793  1062.68   78.076 13.86792 100.1939 
1 1 1   15    7   16 o  1403.00   47.528   9.2771   0.6136   9.7382   0.8079   8.6486   0.9432  1425.98   61.572  1326.78   77.595 99.19690 99.05566 
1 1 1   15    7   17 o  667.020   72.825   2.1967   0.4397   1.3053   0.6257   3.0665   0.6181  473.125  136.297  777.790   87.900 -304.6653 162.1832 
1 1 1   15    7   18 o  216.952   94.006   0.0365   0.3464  -0.0688   0.4630   0.1704   0.5221  231.499  104.052  271.985  116.605 -40.48579 156.2801 
1 1 1   15    7   19 o  517.684   97.919   1.4684   0.4494   1.3187   0.5393   1.8084   0.8127  466.900  123.591  506.857  157.572 -39.95691 200.2590 
1 1 1   15    7   20 o  316.285  122.574   0.6086   0.5091   1.1218   0.6765  -0.0620   0.7732  390.468  143.465  266.864  125.081 123.6037 190.3354 
1 1 1   15    7   21 o  276.301  110.555   0.4514   0.4260   0.5677   0.5812   0.3164   0.6261  296.711  124.943  270.564  121.352 26.14661 174.1760 
1 1 1   15    9    0 o  1460.51   38.113   9.8565   0.5122   9.8072   0.5721   10.056   1.1499  1456.05   42.700  1459.97   85.975 -3.924927 95.99491 
1 1 1   15    9    1 o  1877.58   37.361   16.296   0.6455   16.664   0.7355   15.063   1.3464  1897.46   42.127  1789.21   81.782 108.2513 91.99388 
1 1 1   15    9    2 o  746.302   37.011   2.5766   0.2542   2.3699   0.3340   2.8612   0.3918  712.151   51.309  782.033   54.792 -69.88147 75.06510 
1 1 1   15    9    3 o  205.178   65.177   0.1946   0.1383   0.2268   0.1974   0.1636   0.1938  227.715   78.112  207.737   76.718 19.97739 109.4852 
1 1 1   15    9    4 o  241.441   68.071   0.2828   0.1578   0.2944   0.1997   0.2635   0.2572  249.309   78.217  249.420   88.885 -0.1105042 118.3996 
1 1 1   15    9    5 o  732.087   37.365   2.4952   0.2509   2.3470   0.3199   2.7321   0.4044  706.800   49.494  759.918   58.273 -53.11829 76.45539 
1 1 1   15    9    6 o  332.013   63.279   0.5392   0.1863   0.5507   0.2391   0.5215   0.2970  331.466   79.440  321.554   94.274 9.911987 123.2812 
1 1 1   15    9    7 o  911.979   37.469   3.8771   0.3144   3.6159   0.3951   4.3282   0.5193  875.296   49.256  952.485   59.544 -77.18927 77.27625 
1 1 1   15    9    8 o  881.014   39.599   3.6313   0.3210   3.7327   0.4154   3.4809   0.5057  887.011   51.116  848.440   65.282 38.57068 82.91311 
1 1 1   15    9    9 o  258.062   82.108   0.3306   0.2194   0.3704   0.2743   0.2600   0.3658  274.025   92.082  262.034  103.209 11.99045 138.3159 
1 1 1   15    9   10 f  216.667   87.579   0.1377   0.2703   0.4825   0.3310  -0.5522   0.4683  306.058  101.119  190.666   91.606 115.3920 136.4428 
1 1 1   15    9   11 o  750.092   47.412   2.6713   0.3256   2.8418   0.4450   2.4751   0.4775  764.320   63.860  706.074   74.628 58.24622 98.22099 
1 1 1   15    9   12 o  812.506   56.895   3.1745   0.4227   3.2426   0.6088   3.1112   0.5874  801.635   83.765  786.193   82.416 15.44220 117.5119 
1 1 1   15    9   13 o  1369.94   39.995   8.8031   0.5042   8.9599   0.6994   8.6333   0.7274  1370.02   55.478  1341.71   58.921 28.30493 80.92889 
1 1 1   15    9   14 o  288.273   88.982   0.4222   0.2597   0.3507   0.3651   0.4953   0.3694  280.683  104.969  312.813  106.858 -32.12955 149.7900 
1 1 1   15    9   15 o  523.031   66.797   1.3366   0.3141   1.4892   0.4271   1.1568   0.4636  541.189   88.861  464.231  110.181 76.95850 141.5491 
1 1 1   15    9   16 o  870.581   57.511   3.6305   0.4581   3.9661   0.7252   3.4076   0.5910  885.458   90.265  829.535   78.351 55.92297 119.5269 
1 1 1   15    9   17 o  384.690   95.836   0.7871   0.3380   0.6458   0.4674   0.9420   0.4893  346.554  120.118  408.267  121.354 -61.71292 170.7483 
1 1 1   15    9   18 o  398.587  110.199   0.8996   0.4177   1.0434   0.5232   0.6467   0.6938  418.744  125.710  348.959  140.568 69.78516 188.5799 
1 1 1   15    9   19 o  410.646  102.226   0.9645   0.3848   0.3598   0.4939   1.8981   0.6137  283.445  116.931  559.403  122.612 -275.9573 169.4302 
1 1 1   15    9   20 o  155.228   76.320  -0.5984   0.3801  -0.5547   0.5061  -0.6548   0.5757  188.133   91.541  196.175   95.925 -8.041977 132.5946 
1 1 1   15    9   21 o  436.786  175.581   2.3645   1.0799   2.3645   1.0799   0.0000   0.0000  436.786  175.581  ?   ?  0.000000 175.5807 
1 1 1   15   11    0 o  679.058  110.909   2.2838   0.6691   2.2838   0.6691   0.0000   0.0000  679.058  110.909  ?   ?  0.000000 110.9092 
1 1 1   15   11    1 o  1330.48   40.156   8.2074   0.4916   8.2074   0.4916   0.0000   0.0000  1330.48   40.156  ?   ?  0.000000 40.15565 
1 1 1   15   11    2 o  1220.94   39.440   6.9162   0.4431   6.5845   0.4786   8.9056   1.1720  1190.16   43.703  1356.00   94.523 -165.8394 104.1374 
1 1 1   15   11    3 o  485.072   36.189   1.0972   0.1604   1.0092   0.1969   1.2707   0.2764  462.950   46.865  516.842   59.186 -53.89221 75.49413 
1 1 1   15   11    4 o  217.084   66.706   0.2246   0.1461   0.4237   0.1894  -0.0680   0.2297  292.616   71.057  167.502   74.418 125.1134 102.8938 
1 1 1   15   11    5 o  580.767   42.815   1.5835   0.2272   1.5629   0.3041   1.6095   0.3418  572.044   58.592  578.024   65.420 -5.981018 87.82256 
1 1 1   15   11    6 o  693.202   40.280   2.2522   0.2558   2.5529   0.3356   1.8347   0.3953  734.665   49.933  613.266   71.392 121.3990 87.12134 
1 1 1   15   11    7 o  450.363   55.088   0.9763   0.2235   0.8766   0.2897   1.1231   0.3515  417.334   78.307  470.839   84.213 -53.50516 114.9951 
1 1 1   15   11    8 o  310.818   76.253   0.4922   0.2164   0.6141   0.2949   0.3498   0.3187  342.596   91.720  273.730   98.787 68.86606 134.8013 
1 1 1   15   11    9 o  520.005   51.038   1.2950   0.2411   1.8679   0.3522   0.7902   0.3306  619.665   62.631  387.037   93.817 232.6276 112.8020 
1 1 1   15   11   10 o  323.205   90.312   0.5472   0.2790   0.7409   0.3691   0.2893   0.4260  370.267  104.032  276.278  110.556 93.98895 151.8065 
1 1 1   15   11   11 o  397.896   71.156   0.7940   0.2510   0.8525   0.3332   0.7173   0.3815  402.663   91.956  363.477  106.916 39.18579 141.0213 
1 1 1   15   11   12 f  671.367   51.333   2.1531   0.3147   2.3899   0.4454   1.9169   0.4448  696.589   70.455  617.293   80.197 79.29614 106.7494 
1 1 1   15   11   13 o  486.983   88.964   1.2200   0.3840   1.3932   0.5510   1.0565   0.5354  500.408  120.987  432.021  126.547 68.38757 175.0766 
1 1 1   15   11   14 o  748.005   54.612   2.6705   0.3733   2.6055   0.5243   2.7373   0.5316  724.239   80.009  743.190   78.947 -18.95135 112.4014 
1 1 1   15   11   15 o  596.255   73.266   1.7528   0.3935   2.2559   0.6578   1.4725   0.4911  649.362  114.267  528.098  104.755 121.2645 155.0177 
1 1 1   15   11   16 o  917.061   57.640   4.0382   0.4839   3.9824   0.6345   4.1159   0.7482  895.609   77.761  897.956   91.849 -2.347412 120.3454 
1 1 1   15   11   17 o  249.373  103.732   0.1758   0.3933   0.1086   0.4542   0.3774   0.7863  251.504  108.313  329.833  142.275 -78.32953 178.8124 
1 1 1   15   11   18 o  773.012   85.638   3.1241   0.5989   3.0796   0.6719   3.2958   1.3211  752.442   99.486  611.997  202.003 140.4445 225.1721 
1 1 1   15   11   19 o  351.238  110.603   0.7518   0.3990   1.2362   0.5758   0.3046   0.5533  427.410  132.598  276.888  119.393 150.5218 178.4294 
1 1 1   15   11   20 o  224.962   98.917   0.1281   0.3958  -0.1815   0.5594   0.4382   0.5600  220.598  104.319  281.121  120.650 -60.52272 159.4961 
1 1 1   15   13    0 o  261.197  105.233   0.1842   0.3889  -0.1365   0.5218   0.5847   0.5832  249.861  111.514  362.252  133.193 -112.3913 173.7118 
1 1 1   15   13    1 o  652.700   92.334   2.1016   0.5391   1.4530   0.7289   2.8847   0.8009  517.905  146.430  750.771  119.973 -232.8663 189.3021 
1 1 1   15   13    2 o  1219.18   39.170   6.9141   0.4394   6.7614   0.4757   7.8015   1.1470  1204.33   42.928  1254.60  100.192 -50.27319 109.0011 
1 1 1   15   13    3 o  360.028   53.291   0.6221   0.1712   0.6075   0.1785   0.7901   0.6053  354.795   56.576  392.749  136.667 -37.95407 147.9145 
1 1 1   15   13    4 o  477.485   38.584   1.0696   0.1681   1.0934   0.2289   1.0418   0.2475  478.848   52.839  465.212   59.164 13.63602 79.32426 
1 1 1   15   13    5 o  546.967   38.468   1.4034   0.1924   1.1584   0.2688   1.6608   0.2755  489.381   61.015  591.069   51.150 -101.6882 79.61883 
1 1 1   15   13    6 o  474.585   45.422   1.0688   0.1959   1.2508   0.2853   0.9064   0.2696  507.289   62.437  427.328   71.047 79.96088 94.58398 
1 1 1   15   13    7 o  680.616   39.623   2.1779   0.2471   2.2579   0.3451   2.0938   0.3539  686.307   55.104  658.798   59.013 27.50940 80.74064 
1 1 1   15   13    8 o  652.074   43.221   2.0095   0.2579   2.3908   0.3752   1.6683   0.3550  704.036   58.444  582.789   67.444 121.2468 89.24342 
1 1 1   15   13    9 o  490.542   55.468   1.1628   0.2460   1.2100   0.3504   1.1169   0.3454  488.201   80.818  467.284   83.393 20.91663 116.1288 
1 1 1   15   13   10 o  431.893   81.853   0.9548   0.3134   0.7865   0.4000   1.2222   0.5042  379.112  108.913  467.751  117.350 -88.63889 160.1033 
1 1 1   15   13   11 o  413.604   72.556   0.8589   0.2661   0.7024   0.3544   1.0609   0.4028  361.372  102.080  445.490  100.631 -84.11829 143.3419 
1 1 1   15   13   12 o  641.815   63.779   2.0042   0.3717   2.0185   0.4199   1.9526   0.7989  639.053   72.700  567.760  150.483 71.29230 167.1237 
1 1 1   15   13   13 o  502.721   97.995   1.3186   0.4370   1.7283   0.5513   0.6256   0.7170  569.848  109.106  363.297  144.052 206.5503 180.7069 
1 1 1   15   13   14 o  898.643   55.902   3.8560   0.4600   4.0291   0.7148   3.7336   0.6009  895.424   87.881  871.186   75.715 24.23804 115.9994 
1 1 1   15   13   15 o  1171.71   46.292   6.4756   0.4991   7.3694   0.7228   5.6613   0.6900  1234.96   63.828  1076.80   70.017 158.1697 94.74397 
1 1 1   15   13   16 o  631.561   67.148   1.9635   0.3842   2.0965   0.5289   1.8149   0.5591  634.591   93.375  577.836  109.152 56.75446 143.6421 
1 1 1   15   13   17 o  585.317   83.180   1.7750   0.4354   1.9406   0.5684   1.5398   0.6774  590.596  108.585  491.688  141.862 98.90884 178.6489 
1 1 1   15   13   18 o  802.120   64.380   3.2253   0.4712   3.5844   0.6629   2.8587   0.6698  815.554   89.828  708.627  105.976 106.9263 138.9246 
1 1 1   15   13   19 o  573.832   87.431   1.8334   0.4471   1.6900   0.6210   1.9878   0.6441  490.598  133.847  540.631  130.879 -50.03394 187.2010 
1 1 1   15   13   20 o  299.717  113.712   0.6111   0.4319   1.0918   0.6245   0.1701   0.5981  360.429  136.731  249.289  114.440 111.1403 178.3031 
1 1 1   15   15    0 o  413.695   49.567   0.8137   0.1849   0.8347   0.1924   0.5569   0.6717  418.700   50.981  360.794  140.522 57.90555 149.4841 
1 1 1   15   15    1 o  1853.91   66.379   16.410   1.1324   17.101   1.6228   15.755   1.5808  1855.05   95.392  1778.16   96.981 76.88733 136.0331 
1 1 1   15   15    2 o  702.980   46.780   2.3291   0.3009   2.3244   0.3185   2.3682   0.9169  701.201   49.685  637.861  157.230 63.34027 164.8938 
1 1 1   15   15    3 o  787.955   32.123   2.8860   0.2329   2.9933   0.2871   2.6794   0.3983  800.548   38.974  748.487   58.296 52.06110 70.12467 
1 1 1   15   15    4 o  386.794   55.243   0.7237   0.1910   0.5197   0.2310   1.1655   0.3399  319.519   79.003  482.127   79.376 -162.6085 111.9912 
1 1 1   15   15    5 o  306.077   73.016   0.4742   0.2028   0.5159   0.2466   0.3873   0.3563  316.595   83.461  287.059  104.325 29.53580 133.6014 
1 1 1   15   15    6 o  217.666   74.563   0.2197   0.1799  -0.0084   0.2566   0.4400   0.2522  184.859   80.505  292.601   87.149 -107.7424 118.6427 
1 1 1   15   15    7 o  628.493   43.123   1.8675   0.2479   1.9075   0.3392   1.8216   0.3631  627.810   59.425  610.095   65.719 17.71545 88.60213 
1 1 1   15   15    8 o  471.356   72.091   1.1089   0.3027   1.1931   0.3322   0.6957   0.7357  486.866   76.681  368.085  145.930 118.7813 164.8502 
1 1 1   15   15    9 o  750.042   57.831   2.7124   0.3960   2.7955   0.4302   2.2512   1.0137  758.848   62.162  577.438  175.357 181.4109 186.0488 
1 1 1   15   15   10 o  622.481   53.738   1.8599   0.3048   2.4168   0.4400   1.3462   0.4226  701.125   69.097  507.568   93.943 193.5572 116.6179 
1 1 1   15   15   11 o  567.242   63.285   1.5682   0.3247   1.4763   0.4701   1.6519   0.4490  529.114  100.234  567.853   88.832 -38.73975 133.9329 
1 1 1   15   15   12 o  793.160   49.369   2.9845   0.3585   2.6191   0.4843   3.4274   0.5333  729.823   73.102  837.948   69.796 -108.1256 101.0709 
1 1 1   15   15   13 f  952.382   69.303   4.4143   0.6032   3.8722   1.1172   4.6373   0.7166  809.966  155.559  966.486   81.331 -156.5198 175.5372 
1 1 1   15   15   14 o  732.827   56.282   2.5756   0.3766   3.0615   0.5410   2.1184   0.5247  786.940   75.637  643.535   91.152 143.4050 118.4474 
1 1 1   15   15   15 o  512.539   79.263   1.3307   0.3618   1.2863   0.5036   1.3780   0.5200  480.482  115.356  497.495  115.774 -17.01346 163.4340 
1 1 1   15   15   16 o  156.998   76.141  -0.4867   0.3426  -0.8207   0.4262   0.1229   0.5758  159.737   78.967  272.153  119.496 -112.4154 143.2312 
1 1 1   15   15   17 o  573.600   78.925   1.7149   0.4055   1.2837   0.5428   2.2595   0.6101  453.609  125.704  628.237  109.517 -174.6289 166.7201 
1 1 1   15   15   18 o  362.918  108.183   0.8132   0.3885   0.9377   0.5584   0.6964   0.5408  366.514  130.932  326.525  126.384 39.98904 181.9783 
1 1 1   15   15   19 o  281.301  108.326   0.4940   0.3957   1.4226   0.5876  -0.2763   0.5352  431.854  133.944  207.311   99.160 224.5433 166.6544 
1 1 1   15   17    0 o  530.961   41.135   1.3265   0.1994   1.4257   0.2599   1.1846   0.3109  546.948   52.278  490.948   70.874 56.00012 88.06866 
1 1 1   15   17    1 o  325.586   57.056   0.5176   0.1647   0.4152   0.2147   0.6638   0.2567  286.441   78.939  361.879   79.279 -75.43872 111.8777 
1 1 1   15   17    2 o  170.574   69.817   0.0619   0.1744  -0.0751   0.2470   0.1981   0.2462  171.083   76.509  225.669   85.796 -54.58647 114.9544 
1 1 1   15   17    3 o  536.774   47.674   1.3701   0.2330   1.3619   0.2404   1.4971   0.9474  534.514   49.438  484.082  170.804 50.43198 177.8150 
1 1 1   15   17    4 o  740.281   44.994   2.5910   0.3050   2.5222   0.3208   3.2416   0.9860  728.951   48.092  739.935  149.958 -10.98395 157.4806 
1 1 1   15   17    5 o  176.478   73.534   0.0528   0.1981   0.1880   0.2444  -0.2060   0.3382  221.757   85.208  184.151   85.087 37.60577 120.4163 
1 1 1   15   17    6 o  195.614   78.765   0.1086   0.2177   0.0720   0.2604   0.1936   0.3968  200.528   83.995  255.136  104.978 -54.60852 134.4451 
1 1 1   15   17    7 o  326.059   82.414   0.5505   0.2474   0.3214   0.2954   1.0881   0.4526  262.823   95.073  444.884  110.936 -182.0602 146.1016 
1 1 1   15   17    8 o  449.698   70.872   1.0090   0.2836   1.3264   0.3531   0.4329   0.4757  513.414   77.135  307.223  118.645 206.1907 141.5147 
1 1 1   15   17    9 o  1248.06   41.761   7.3237   0.4796   7.6600   0.6036   6.7479   0.7898  1269.17   51.688  1169.87   73.743 99.30713 90.05364 
1 1 1   15   17   10 o  601.688   57.988   1.7468   0.3171   1.4445   0.4235   2.1322   0.4783  529.742   90.116  651.378   81.583 -121.6359 121.5593 
1 1 1   15   17   11 o  289.148  108.800   0.3732   0.3934   0.2988   0.5623   0.4446   0.5507  301.317  124.576  321.029  126.580 -19.71164 177.5993 
1 1 1   15   17   12 o  777.504   56.880   2.8956   0.4041   3.5826   0.6547   2.4726   0.5137  845.388   85.324  704.276   80.720 141.1114 117.4557 
1 1 1   15   17   13 o  382.639  107.410   0.7916   0.3937   0.7592   0.5644   0.8222   0.5493  373.081  131.814  384.558  130.311 -11.47751 185.3534 
1 1 1   15   17   14 o  643.540   63.379   2.0226   0.3704   2.0668   0.4995   1.9686   0.5522  634.431   87.926  608.305  102.286 26.12634 134.8829 
1 1 1   15   17   15 o  911.437   60.238   4.0516   0.5024   3.9638   0.6442   4.1878   0.8025  882.625   80.194  884.353  100.393 -1.728088 128.4902 
1 1 1   15   17   16 o  390.408  102.189   0.8691   0.3714   0.2447   0.4768   1.8322   0.5922  266.142  112.675  554.731  119.539 -288.5896 164.2719 
1 1 1   15   17   17 o  389.168  107.860   0.9229   0.3996   0.7570   0.5590   1.0964   0.5716  337.956  129.086  396.444  132.932 -58.48795 185.2942 
1 1 1   15   17   18 o  710.096   76.845   2.7400   0.4941   3.6740   0.7302   1.9514   0.6710  775.234  105.075  508.475  139.304 266.7589 174.4888 
1 1 1   15   19    0 o  214.281   78.817   0.1912   0.2043   0.1384   0.2094   1.2284   0.9287  201.323   78.442  450.249  167.599 -248.9257 185.0477 
1 1 1   15   19    1 o  506.386   53.236   1.2302   0.2443   1.0768   0.3214   1.4401   0.3761  462.644   78.303  536.344   78.523 -73.69983 110.8924 
1 1 1   15   19    2 o  724.658   46.170   2.4861   0.3063   2.4131   0.4148   2.5737   0.4541  704.455   64.712  725.139   68.886 -20.68335 94.51429 
1 1 1   15   19    3 f  766.268   47.043   2.7834   0.3301   2.5730   0.4578   3.0114   0.4764  724.154   69.552  785.876   66.510 -61.72241 96.23460 
1 1 1   15   19    4 o  492.408   66.378   1.1935   0.2931   1.4413   0.4244   0.9674   0.4053  528.281   90.563  423.290  104.641 104.9901 138.3887 
1 1 1   15   19    5 o  672.373   46.028   2.1444   0.2831   1.9529   0.3391   2.5841   0.5139  635.591   58.648  718.489   79.041 -82.89752 98.42295 
1 1 1   15   19    6 f  651.935   49.784   2.0274   0.2964   1.9990   0.3570   2.0903   0.5316  641.598   61.217  635.047   93.800 6.550842 112.0084 
1 1 1   15   19    7 o  976.578   42.964   4.4900   0.3861   4.3219   0.4685   4.8458   0.6815  950.659   53.782  989.102   75.442 -38.44275 92.65029 
1 1 1   15   19    8 o  395.353   80.296   0.7983   0.2821   1.1848   0.3526   0.1107   0.4704  482.673   82.348  257.939  110.635 224.7336 137.9183 
1 1 1   15   19    9 o  580.185   63.140   1.6370   0.3316   1.7891   0.4111   1.3537   0.5611  599.753   76.218  491.243  124.098 108.5102 145.6349 
1 1 1   15   19   10 o  441.367  104.946   1.0403   0.4200   1.0727   0.6109   1.0113   0.5783  432.512  136.932  422.223  133.189 10.28873 191.0233 
1 1 1   15   19   11 o  220.354   92.625   0.0863   0.3185   0.1911   0.3940  -0.1115   0.5413  255.735  104.843  248.194  111.941 7.541519 153.3712 
1 1 1   15   19   12 o  705.369   63.069   2.4164   0.4050   2.5467   0.5050   2.1814   0.6782  714.575   78.069  627.823  121.794 86.75159 144.6668 
1 1 1   15   19   13 o  453.394  112.950   1.1468   0.4695   0.7967   0.5653   1.9256   0.8430  374.168  131.940  546.066  158.462 -171.8976 206.1998 
1 1 1   15   19   14 o  240.195   99.140   0.1799   0.3553   0.2965   0.4545  -0.0033   0.5695  275.951  112.812  256.999  115.470 18.95172 161.4302 
1 1 1   15   19   15 o  216.860   94.055   0.0683   0.3474   0.3858   0.4750  -0.2967   0.5094  286.135  115.945  213.424  100.502 72.71043 153.4404 
1 1 1   15   19   16 o  656.096   73.394   2.2512   0.4355   2.4202   0.6229   2.0896   0.6091  636.369  110.376  580.766  118.007 55.60217 161.5812 
1 1 1   15   19   17 o  238.011  100.403   0.2461   0.3764  -0.3316   0.5051   0.9680   0.5646  198.877   95.441  355.665  131.003 -156.7876 162.0829 
1 1 1   15   21    0 o  235.607   83.176   0.2532   0.2247   0.1285   0.2683   0.5462   0.4113  214.819   87.105  326.109  112.697 -111.2907 142.4356 
1 1 1   15   21    1 o  353.585   82.608   0.6434   0.2639   0.6130   0.3485   0.6843   0.4041  339.995  102.724  356.479  111.161 -16.48398 151.3575 
1 1 1   15   21    2 o  301.768   89.743   0.4707   0.2676   0.5974   0.3603   0.3150   0.3995  335.602  105.013  277.537  108.290 58.06519 150.8458 
1 1 1   15   21    3 o  163.867   75.734  -0.1768   0.2682  -0.6211   0.3796   0.2663   0.3791  160.397   78.315  264.896  104.835 -104.4988 130.8573 
1 1 1   15   21    4 o  490.169   74.115   1.2010   0.3238   1.3515   0.4521   1.0425   0.4641  504.700  100.884  433.966  114.542 70.73413 152.6354 
1 1 1   15   21    5 o  193.374   85.488  -0.0412   0.2994  -0.5140   0.4173   0.4605   0.4299  179.430   86.277  308.510  114.189 -129.0801 143.1181 
1 1 1   15   21    6 o  725.262   64.121   2.5569   0.4235   2.8261   0.5792   2.2477   0.6208  747.653   85.744  649.781  107.594 97.87213 137.5810 
1 1 1   15   21    7 o  533.702   64.682   1.3914   0.3112   1.5339   0.3775   1.0893   0.5497  554.908   75.917  437.946  128.206 116.9613 148.9972 
1 1 1   15   21    8 o  303.382  100.456   0.4665   0.3266   0.4596   0.3925   0.4818   0.5891  306.783  109.751  330.824  130.765 -24.04126 170.7184 
1 1 1   15   21    9 o  749.596   61.248   2.7107   0.4188   2.8682   0.5432   2.4801   0.6574  759.988   78.829  685.280  107.818 74.70819 133.5613 
1 1 1   15   21   10 o  210.752   91.527   0.0111   0.3298   0.1245   0.4131  -0.1884   0.5478  248.575  105.040  241.333  110.322 7.242874 152.3295 
1 1 1   15   21   11 o  276.758  101.459   0.3592   0.3381   0.3956   0.4089   0.2804   0.6011  292.689  110.734  300.607  126.844 -7.917511 168.3790 
1 1 1   15   21   12 o  288.378  107.235   0.4032   0.3800   0.6536   0.4387  -0.3498   0.7608  343.765  116.449  263.836  123.791 79.92883 169.9547 
1 1 1   15   21   13 o  441.259  125.686   1.1809   0.5350   1.0799   0.6150   1.4946   1.0845  412.017  137.892  439.821  176.249 -27.80374 223.7808 
1 1 1   15   21   14 o  401.313  111.649   0.9646   0.4273   0.8062   0.5216   1.2878   0.7452  357.293  126.666  419.536  151.108 -62.24377 197.1748 
1 1 1   15   21   15 o  308.287  109.571   0.5808   0.3906   0.7847   0.4705   0.1289   0.7006  345.062  120.461  268.853  123.584 76.20868 172.5799 
1 1 1   15   21   16 o  609.610   94.071   2.1833   0.5107   1.9547   0.6289   2.6262   0.8752  520.973  131.247  540.554  162.665 -19.58148 209.0111 
1 1 1   15   21   17 o  378.160  151.941   1.5612   0.8083   1.8997   1.2370   1.3091   1.0678  350.022  162.077  326.471  150.963 23.55139 221.4924 
1 1 1   15   23    0 o  449.450   75.198   1.0108   0.3000   1.1329   0.3866   0.8260   0.4757  467.102   93.204  387.465  120.576 79.63779 152.3989 
1 1 1   15   23    1 f  1021.99   48.420   4.9362   0.4553   5.2213   0.6291   4.6225   0.6599  1037.40   66.251  969.248   74.559 68.15253 99.74120 
1 1 1   15   23    2 o  671.003   62.032   2.1803   0.3787   2.6579   0.5384   1.7126   0.5327  728.714   81.698  567.984  105.820 160.7301 133.6880 
1 1 1   15   23    3 o  258.884   98.831   0.2765   0.3275   0.4671   0.4663   0.0909   0.4602  314.735  118.444  254.125  109.227 60.61046 161.1190 
1 1 1   15   23    4 o  744.700   62.750   2.6830   0.4260   2.2459   0.5894   3.1613   0.6164  656.456  100.788  792.547   85.902 -136.0903 132.4292 
1 1 1   15   23    5 f  216.270   93.417   0.0250   0.3399  -0.1432   0.4638   0.2202   0.4996  227.175  102.934  280.336  116.790 -53.16180 155.6765 
1 1 1   15   23    6 o  452.271  101.891   1.0827   0.4139   1.6746   0.6842   0.7411   0.5197  539.453  137.442  370.758  126.748 168.6950 186.9638 
1 1 1   15   23    7 f  460.546  111.578   1.1501   0.4679   0.3884   0.7330   1.6739   0.6078  334.647  140.579  549.792  123.197 -215.1441 186.9219 
1 1 1   15   23    8 o  904.116   52.997   3.8976   0.4390   3.9685   0.5379   3.7564   0.7595  904.376   65.076  852.130   98.687 52.24670 118.2120 
1 1 1   15   23    9 o  1074.48   56.715   5.5422   0.5588   5.3519   0.7324   5.8073   0.8643  1037.66   77.257  1068.73   88.692 -31.07385 117.6216 
1 1 1   15   23   10 o  992.244   68.147   4.8424   0.6184   4.6789   0.7356   5.2367   1.1423  959.339   84.177  950.948  134.274 8.390991 158.4782 
1 1 1   15   23   11 o  698.952   76.624   2.4782   0.4847   2.2854   0.5391   3.2918   1.1075  658.546   91.434  683.251  175.291 -24.70508 197.7047 
1 1 1   15   23   12 o  962.380   64.965   4.6123   0.5719   4.5936   0.6508   4.6761   1.1988  948.376   75.188  821.837  164.266 126.5395 180.6556 
1 1 1   15   23   13 o  435.499  132.246   1.2785   0.5765   1.6215   0.6969   0.5351   1.0262  474.180  145.674  328.432  150.453 145.7472 209.4213 
1 1 1   15   23   14 o  268.279  108.335   0.3898   0.4132   0.6115   0.4991  -0.0928   0.7365  307.110  120.691  251.903  119.292 55.20717 169.6964 
1 1 1   15   23   15 o  300.694  115.283   0.6279   0.4469   0.8972   0.5665   0.1845   0.7270  335.614  129.510  259.444  121.500 76.17053 177.5816 
1 1 1   15   25    0 o  425.605   89.794   0.9306   0.3406   1.4901   0.4569   0.2311   0.5109  538.053   95.804  285.541  118.458 252.5121 152.3505 
1 1 1   15   25    1 o  249.207   98.130   0.2203   0.3306   0.1823   0.4321   0.2739   0.5133  263.338  109.069  291.847  119.659 -28.50888 161.9084 
1 1 1   15   25    2 o  635.059   77.467   1.9971   0.4433   2.3518   0.6809   1.7361   0.5840  663.226  115.783  567.940  115.687 95.28571 163.6741 
1 1 1   15   25    3 o  406.567  112.465   0.8946   0.4349   0.8432   0.6686   0.9323   0.5726  393.617  142.927  408.564  132.904 -14.94748 195.1705 
1 1 1   15   25    4 o  991.959   66.259   4.7655   0.6013   5.1329   0.9674   4.5342   0.7676  990.598  107.871  948.848   88.959 41.74933 139.8209 
1 1 1   15   25    5 o  439.641  104.883   1.0346   0.4184   1.2456   0.5946   0.8277   0.5888  466.240  132.397  386.918  134.778 79.32120 188.9289 
1 1 1   15   25    6 o  338.536  113.093   0.6077   0.4137   0.5515   0.5878   0.6628   0.5822  338.871  131.600  356.272  132.687 -17.40137 186.8807 
1 1 1   15   25    7 o  420.941  108.966   0.9737   0.4254   0.9970   0.6055   0.9511   0.5976  412.041  136.796  403.918  135.926 8.123047 192.8445 
1 1 1   15   25    8 o  288.910  112.492   0.3743   0.4304   0.7329   0.6150   0.0302   0.6025  362.390  136.095  269.436  120.069 92.95465 181.4893 
1 1 1   15   25    9 f  538.711  131.419   1.7495   0.6457   1.2803   0.9295   2.1869   0.8975  428.697  165.763  563.694  163.485 -134.9974 232.8190 
1 1 1   15   25   10 o  444.677  101.681   1.1109   0.4070   0.8365   0.4858   1.7574   0.7456  371.186  122.488  508.032  149.492 -136.8462 193.2641 
1 1 1   15   25   11 o  285.313  111.239   0.4293   0.4213   0.4984   0.5098   0.2805   0.7483  302.102  120.917  294.977  132.456 7.124847 179.3472 
1 1 1   15   25   12 o  357.599  137.454   0.9413   0.6363   1.1370   0.7571   0.4707   1.1741  375.445  148.293  317.982  150.596 57.46301 211.3527 
1 1 1   15   25   13 o  210.582   96.108   0.0017   0.4136  -0.3974   0.4815   1.1258   0.8081  189.120   91.370  349.935  147.334 -160.8149 173.3662 
1 1 1   15   25   14 o  273.386  114.117   0.4971   0.4784   0.5244   0.5321   0.3822   1.0926  277.262  118.262  278.807  135.393 -1.545502 179.7693 
1 1 1   15   27    0 o  334.950  110.488   0.5821   0.3953   1.0776   0.5515   0.0587   0.5668  438.537  128.427  272.994  119.245 165.5429 175.2505 
1 1 1   15   27    1 o  780.723   73.317   2.9938   0.5205   3.5820   0.7421   2.4240   0.7304  834.312   98.565  664.856  123.945 169.4563 158.3583 
1 1 1   15   27    2 o  425.535  113.502   0.9920   0.4526   1.7811   0.6337   0.1701   0.6467  564.945  125.192  297.390  128.653 267.5540 179.5127 
1 1 1   15   27    3 o  419.478  113.420   0.9702   0.4483   1.4616   0.6152   0.4141   0.6545  503.517  131.396  325.886  134.542 177.6315 188.0602 
1 1 1   15   27    4 o  354.088  118.178   0.6861   0.4517   1.9750   0.6720  -0.3763   0.6101  588.565  127.749  236.804  111.028 351.7602 169.2546 
1 1 1   15   27    5 o  591.795   96.178   1.8469   0.5058   1.5348   0.7179   2.1543   0.7126  495.583  146.921  608.453  131.139 -112.8704 196.9351 
1 1 1   15   27    6 o  302.669  119.077   0.4299   0.4864   0.3154   0.6068   0.6355   0.8134  300.012  127.066  355.360  148.613 -55.34769 195.5287 
1 1 1   15   27    7 o  536.549  114.161   1.6495   0.5463   1.0611   0.6748   2.7683   0.9306  404.726  144.008  642.141  158.459 -237.4152 214.1199 
1 1 1   15   27    8 o  213.959  101.404  -0.3597   0.5342  -1.3033   0.9202   0.1202   0.6562  231.801  114.849  275.961  123.969 -44.15909 168.9928 
1 1 1   15   27    9 o  477.526  136.391   1.5441   0.6291   0.8627   1.0045   1.9838   0.8069  354.394  156.629  512.594  156.627 -158.2001 221.5055 
1 1 1   15   27   10 o  338.068  128.019   0.7824   0.5468   0.4421   0.7274   1.2244   0.8291  297.410  132.275  380.006  153.458 -82.59549 202.5977 
1 1 1   15   27   11 o  199.510   92.602  -0.0954   0.4073  -0.3436   0.4765   0.5781   0.7850  192.272   92.386  299.060  134.852 -106.7887 163.4634 
1 1 1   15   27   12 o  254.658  118.412   0.2240   0.6708   0.1231   0.7758   0.5227   1.3353  254.561  121.096  290.472  142.859 -35.91077 187.2779 
1 1 1   15   29    0 o  368.514  114.790   0.7554   0.4311   0.9269   0.5445   0.4677   0.7054  399.676  129.576  333.953  138.920 65.72345 189.9707 
1 1 1   15   29    1 o  322.500  116.195   0.5465   0.4406   0.8051   0.5764   0.1830   0.6835  374.138  133.096  297.706  130.469 76.43195 186.3783 
1 1 1   15   29    2 o  318.252  117.106   0.5311   0.4510  -0.1069   0.5681   1.6178   0.7415  248.196  113.027  501.470  149.460 -253.2737 187.3855 
1 1 1   15   29    3 o  314.311  122.367   0.5008   0.5092   0.8279   0.6487  -0.0241   0.8219  371.359  139.713  292.323  134.182 79.03552 193.7122 
1 1 1   15   29    4 o  382.295  125.407   0.8889   0.5095   0.7612   0.6151   1.1678   0.9092  356.295  135.574  407.136  161.971 -50.84109 211.2222 
1 1 1   15   29    5 o  212.031  101.253  -0.4387   0.5534  -0.5097   0.7512  -0.3546   0.8183  242.935  116.535  261.875  124.514 -18.93944 170.5410 
1 1 1   15   29    6 o  705.027   91.105   2.7108   0.5772   2.0291   0.7988   3.4557   0.8350  525.706  154.742  748.539  125.683 -222.8339 199.3526 
1 1 1   15   29    7 o  317.956  131.037   0.6293   0.6195   0.3772   0.9871   0.7932   0.7956  309.998  143.977  338.508  144.506 -28.51028 203.9886 
1 1 1   15   29    8 o  425.054  145.699   1.4578   0.6868   2.0997   1.3342   1.2264   0.8011  401.306  178.766  374.077  150.921 27.22852 233.9537 
1 1 1   15   29    9 o  236.179  108.547   0.0827   0.5402   1.6595   0.7889  -1.3091   0.7411  415.674  154.519  190.219   95.568 225.4546 181.6845 
1 1 1   15   29   10 o  311.225  126.500   0.7855   0.5674   0.9276   0.7848   0.6299   0.8213  314.048  138.637  288.462  133.040 25.58600 192.1457 
1 1 1   15   31    0 o  374.791  150.856   0.9489   0.7983   0.7938   1.3480   1.0326   0.9908  368.593  170.151  382.030  162.118 -13.43698 235.0187 
1 1 1   15   31    1 o  500.777  160.165   1.8939   0.8341   1.7503   1.3943   1.9739   1.0409  422.342  185.687  475.172  177.325 -52.83051 256.7559 
1 1 1   15   31    2 o  322.505  123.718   0.6287   0.5148   0.2753   0.6576   1.1883   0.8274  285.298  126.380  392.430  155.020 -107.1320 200.0071 
1 1 1   15   31    3 o  328.784  124.156   0.6901   0.5134   1.1349   0.7211   0.2329   0.7311  386.042  146.813  283.959  128.889 102.0828 195.3618 
1 1 1   15   31    4 o  319.286  134.341   0.6699   0.6711   1.3365   1.3310   0.4427   0.7771  364.596  168.577  299.528  134.700 65.06851 215.7831 
1 1 1   15   31    5 o  275.649  125.132   0.3061   0.6894  -0.2025   1.3926   0.4711   0.7934  288.940  142.820  295.092  134.068 -6.151947 195.8875 
1 1 1   15   31    6 o  273.255  123.696   0.3684   0.6679   1.6169   1.2333  -0.1498   0.7946  355.598  163.649  246.480  118.651 109.1181 202.1361 
1 1 1   15   31    7 o  279.689  122.513   0.5261   0.6020   0.7738   0.8268   0.2465   0.8784  301.944  137.056  267.366  127.648 34.57819 187.2921 
1 1 1   15   31    8 o  342.803  140.077   1.1908   0.7004   1.6003   1.1586   0.9549   0.8792  329.525  154.021  304.208  139.323 25.31720 207.6854 
1 1 1   15   33    0 o  312.803  126.801   0.6847   0.5684   0.4844   0.6912   1.1033   0.9990  290.562  129.095  342.979  153.595 -52.41724 200.6409 
1 1 1   15   33    1 o  300.756  127.480   0.6255   0.6115   0.7648   0.8276   0.4581   0.9075  313.871  140.234  291.949  136.409 21.92215 195.6353 
1 1 1   15   33    2 o  392.591  138.432   1.2929   0.6222   0.0275   0.8171   3.0397   0.9601  256.421  122.614  557.489  170.927 -301.0681 210.3575 
1 1 1   15   33    3 o  228.074  108.318  -0.0738   0.6158   0.6152   0.8874  -0.7136   0.8552  290.860  135.561  221.716  110.003 69.14436 174.5782 
1 1 1   15   33    4 o  302.124  150.216   1.1671   1.6282   1.1671   1.6282   0.0000   0.0000  302.124  150.216  ?   ?  0.000000 150.2157 
1 1 1   16    0    0 o  861.617   56.207   3.4675   0.4413   3.4675   0.4413   3.4675   0.4413  861.617   56.207  861.617   56.207 0.000000 0.000000 
1 1 1   16    0    1 o  2070.81   47.909   19.802   0.9118   19.802   0.9118   19.802   0.9118  2070.81   47.909  2070.81   47.909 0.000000 0.000000 
1 1 1   16    0    2 f  631.082   62.070   1.8924   0.3524   1.8924   0.3524   1.8924   0.3524  631.082   62.070  631.082   62.070 0.000000 0.000000 
1 1 1   16    0    3 o  474.779   77.543   1.1237   0.3116   1.1237   0.3116   1.1237   0.3116  474.779   77.543  474.779   77.543 0.000000 0.000000 
1 1 1   16    0    4 o  1823.63   47.843   15.392   0.8016   15.392   0.8016   15.392   0.8016  1823.63   47.843  1823.63   47.843 0.000000 0.000000 
1 1 1   16    0    5 o  675.691   60.144   2.1659   0.3671   2.1659   0.3671   2.1659   0.3671  675.691   60.144  675.691   60.144 0.000000 0.000000 
1 1 1   16    0    6 o  116.759   81.954  -0.3517   0.3365  -0.3517   0.3365  -0.3517   0.3365  116.759   81.954  116.759   81.954 0.000000 0.000000 
1 1 1   16    0    7 o  744.536   93.686   2.7343   0.6142   2.7343   0.6142   2.7343   0.6142  744.536   93.686  744.536   93.686 0.000000 0.000000 
1 1 1   16    0    8 o  663.638  104.244   2.2416   0.5897   2.2416   0.5897   2.2416   0.5897  663.638  104.244  663.638  104.244 0.000000 0.000000 
1 1 1   16    0    9 o  219.408  128.982   0.2977   0.4411   0.2977   0.4411   0.2977   0.4411  219.408  128.982  219.408  128.982 0.000000 0.000000 
1 1 1   16    0   10 o  368.860  124.264   0.8433   0.3770   0.8433   0.3770   0.8433   0.3770  368.860  124.264  368.860  124.264 0.000000 0.000000 
1 1 1   16    0   11 o  826.842   70.804   3.2865   0.5296   3.2865   0.5296   3.2865   0.5296  826.842   70.804  826.842   70.804 0.000000 0.000000 
1 1 1   16    0   12 o  918.953   71.537   4.0464   0.5965   4.0464   0.5965   4.0464   0.5965  918.953   71.537  918.953   71.537 0.000000 0.000000 
1 1 1   16    0   13 o  927.211   74.088   4.1269   0.6228   4.1269   0.6228   4.1269   0.6228  927.211   74.088  927.211   74.088 0.000000 0.000000 
1 1 1   16    0   14 o  873.786   77.872   3.6830   0.6147   3.6830   0.6147   3.6830   0.6147  873.786   77.872  873.786   77.872 0.000000 0.000000 
1 1 1   16    0   15 o  341.153  147.134   0.8103   0.4748   0.8103   0.4748   0.8103   0.4748  341.153  147.134  341.153  147.134 0.000000 0.000000 
1 1 1   16    0   16 o  879.372   77.448   3.7146   0.6155   3.7146   0.6155   3.7146   0.6155  879.372   77.448  879.372   77.448 0.000000 0.000000 
1 1 1   16    0   17 o  131.413   92.209  -0.4238   0.4249  -0.4238   0.4249  -0.4238   0.4249  131.413   92.209  131.413   92.209 0.000000 0.000000 
1 1 1   16    0   18 o  2013.33   61.852   19.016   1.1434   19.016   1.1434   19.016   1.1434  2013.33   61.852  2013.33   61.852 0.000000 0.000000 
1 1 1   16    0   19 o  1133.82  127.899   6.6265   1.2907   6.6265   1.2907   6.6265   1.2907  1133.82  127.899  1133.82  127.899 0.000000 0.000000 
1 1 1   16    0   20 o  302.894  156.660   0.7323   0.5622   0.7323   0.5622   0.7323   0.5622  302.894  156.660  302.894  156.660 0.000000 0.000000 
1 1 1   16    0   21 o  403.694  195.345   1.4338   0.8459   1.4338   0.8459   1.4338   0.8459  403.694  195.345  403.694  195.345 0.000000 0.000000 
1 1 1   16    2    0 o  2370.07   33.212   25.890   0.7243   26.383   1.0408   25.426   1.0086  2390.37   47.317  2346.74   46.709 43.63721 66.48793 
1 1 1   16    2    1 o  2982.85   32.965   41.019   0.9048   40.735   1.2883   41.295   1.2710  2969.35   47.151  2989.94   46.198 -20.58374 66.01124 
1 1 1   16    2    2 o  355.722   69.275   0.6083   0.2186   0.4184   0.4128   0.6823   0.2577  317.362  112.665  375.874   77.092 -58.51099 136.5163 
1 1 1   16    2    3 o  1273.11   41.072   7.4942   0.4811   6.5921   0.8180   7.9714   0.5950  1184.80   75.424  1311.58   49.297 -126.7803 90.10564 
1 1 1   16    2    4 o  613.791   51.805   1.7631   0.2899   1.2059   0.4827   2.0773   0.3625  491.945  109.460  664.819   59.896 -172.8742 124.7757 
1 1 1   16    2    5 o  219.572   77.818   0.2010   0.1969   0.1738   0.3636   0.2123   0.2342  254.848  102.081  231.508   84.505 23.34003 132.5199 
1 1 1   16    2    6 o  1355.88   36.494   8.5260   0.4553   8.5198   0.6422   8.5324   0.6457  1349.99   51.695  1350.88   51.942 -0.8936768 73.28326 
1 1 1   16    2    7 o  934.839   47.129   4.0975   0.4041   4.2093   0.4857   3.8460   0.7285  943.855   56.175  883.558   90.897 60.29712 106.8551 
1 1 1   16    2    8 o  175.464   74.608   0.0198   0.2106   0.0964   0.2617  -0.1208   0.3546  208.352   85.440  202.036   90.910 6.316010 124.7580 
1 1 1   16    2    9 o  146.645   67.824  -0.1562   0.2157  -0.0817   0.2946  -0.2423   0.3166  187.081   83.623  174.077   81.079 13.00378 116.4758 
1 1 1   16    2   10 o  512.851   72.600   1.3051   0.3330   1.4914   0.6084   1.2254   0.3980  512.328  129.103  486.256   92.318 26.07159 158.7140 
1 1 1   16    2   11 o  641.510   66.296   2.0130   0.3857   2.5214   0.4846   1.1341   0.6372  712.964   74.986  438.407  139.958 274.5571 158.7802 
1 1 1   16    2   12 o  429.127   91.557   0.9632   0.3505   0.9593   0.4287   0.9711   0.6088  418.380  109.922  409.113  137.197 9.266693 175.8008 
1 1 1   16    2   13 o  1283.69   47.790   7.7966   0.5645   7.7216   0.7938   7.8734   0.8029  1257.42   68.867  1269.61   68.990 -12.19446 97.47961 
1 1 1   16    2   14 o  436.700   82.825   0.9727   0.3206   1.4246   0.4612   0.5497   0.4461  520.380   99.941  328.468  117.066 191.9114 153.9238 
1 1 1   16    2   15 o  576.885   65.817   1.6203   0.3431   1.4896   0.4495   1.8028   0.5311  537.980   94.237  588.061  101.847 -50.08136 138.7569 
1 1 1   16    2   16 o  1605.19   44.569   12.107   0.6583   12.699   0.8797   11.353   0.9924  1631.65   58.593  1530.67   70.461 100.9783 91.63987 
1 1 1   16    2   17 o  866.254   56.648   3.5962   0.4491   4.0791   0.6038   2.9984   0.6718  911.404   72.599  761.152   98.202 150.2518 122.1238 
1 1 1   16    2   18 o  1882.40   52.938   16.936   0.9169   16.557   1.3156   17.294   1.2787  1820.84   78.520  1868.48   74.373 -47.64453 108.1519 
1 1 1   16    2   19 o  822.513   77.356   3.4570   0.5786   4.3047   0.8034   2.5436   0.8339  890.456   99.766  627.589  146.991 262.8677 177.6504 
1 1 1   16    2   20 o  731.209   69.484   2.7436   0.4619   2.1640   0.6207   3.4628   0.6914  596.048  117.348  784.679   97.892 -188.6311 152.8182 
1 1 1   16    2   21 f  485.158  114.032   1.5191   0.5005   1.7095   0.6407   1.2209   0.8016  476.839  138.077  367.320  149.950 109.5188 203.8386 
1 1 1   16    4    0 o  1426.96   34.656   9.3892   0.4551   9.3924   0.6491   9.3861   0.6381  1425.56   49.485  1425.19   48.658 0.3756104 69.39956 
1 1 1   16    4    1 o  1886.76   37.445   16.428   0.6501   15.509   1.0504   16.999   0.8277  1828.26   62.440  1917.59   46.906 -89.33472 78.09509 
1 1 1   16    4    2 o  202.819   74.251   0.1552   0.1810   0.4096   0.3276   0.0435   0.2171  301.830  100.635  186.388   77.262 115.4417 126.8732 
1 1 1   16    4    3 o  683.034   44.836   2.1700   0.2802   2.0188   0.4797   2.2483   0.3453  650.369   81.985  693.522   54.543 -43.15320 98.47058 
1 1 1   16    4    4 o  536.664   45.289   1.3459   0.2216   1.5603   0.3304   1.1708   0.2986  574.078   63.622  495.448   67.244 78.62897 92.57126 
1 1 1   16    4    5 o  323.513   66.347   0.5098   0.1909   0.4259   0.2704   0.5930   0.2694  296.597   90.684  345.799   85.225 -49.20163 124.4461 
1 1 1   16    4    6 o  757.409   42.521   2.6785   0.2951   2.4947   0.3987   2.9013   0.4389  725.499   60.276  782.302   61.472 -56.80273 86.09299 
1 1 1   16    4    7 o  455.040   62.616   0.9987   0.2552   0.8380   0.3119   1.3248   0.4441  408.277   85.746  510.483   98.115 -102.2056 130.3031 
1 1 1   16    4    8 o  229.370   85.668   0.2108   0.2431   0.1863   0.2742   0.3008   0.5253  230.617   89.786  299.895  121.789 -69.27881 151.3076 
1 1 1   16    4    9 o  212.150   81.293   0.1669   0.2221  -0.0785   0.3097   0.4269   0.3188  192.197   85.834  293.457   99.272 -101.2596 131.2343 
1 1 1   16    4   10 o  454.208   67.727   1.0190   0.2744   0.7960   0.3777   1.2682   0.3993  384.709  104.149  495.331   90.964 -110.6224 138.2804 
1 1 1   16    4   11 o  580.953   69.874   1.6653   0.3660   1.7490   0.6307   1.6228   0.4495  556.432  126.089  561.481   90.045 -5.048157 154.9401 
1 1 1   16    4   12 o  390.938   84.294   0.7894   0.2943   1.0748   0.4036   0.4653   0.4301  448.885  100.249  309.085  114.248 139.8000 151.9957 
1 1 1   16    4   13 f  602.591   59.421   1.7581   0.3252   1.7221   0.4321   1.8051   0.4938  583.225   82.845  589.874   94.145 -6.649597 125.4060 
1 1 1   16    4   14 o  647.803   59.714   2.0258   0.3519   2.1772   0.4711   1.8346   0.5294  660.557   79.087  591.833  100.819 68.72406 128.1371 
1 1 1   16    4   15 o  534.364   69.207   1.4002   0.3323   1.3542   0.4171   1.4803   0.5499  514.090   91.522  521.997  117.335 -7.907166 148.8081 
1 1 1   16    4   16 o  1296.41   54.127   7.9781   0.6457   7.8808   0.7440   8.2751   1.2995  1281.41   63.099  1252.73  113.984 28.67859 130.2836 
1 1 1   16    4   17 o  555.884  102.811   1.6352   0.5065   1.6568   0.6307   1.5961   0.8500  540.094  128.734  501.894  161.807 38.20026 206.7699 
1 1 1   16    4   18 o  799.798   66.089   3.1442   0.4820   3.1046   0.6330   3.1989   0.7436  773.775   90.621  768.088  108.218 5.687866 141.1497 
1 1 1   16    4   19 f  460.849  101.450   1.1879   0.4186   0.8839   0.5373   1.6570   0.6675  377.633  128.875  506.907  138.962 -129.2744 189.5239 
1 1 1   16    4   20 f  928.582   97.641   4.8741   0.8218   5.2298   0.9147   3.3850   1.8713  944.896  107.097  457.322  207.028 487.5745 233.0887 
1 1 1   16    4   21 o  228.668  100.518   0.1526   0.4084  -0.4608   0.5552   0.8762   0.6030  199.393   96.755  336.877  132.571 -137.4838 164.1238 
1 1 1   16    6    0 o  1177.28   38.266   6.3986   0.4145   6.9286   0.6942   6.1049   0.5168  1220.14   62.034  1148.69   48.892 71.44153 78.98541 
1 1 1   16    6    1 o  853.226   37.002   3.3620   0.2905   3.0314   0.4148   3.6803   0.4070  806.315   56.253  889.974   49.905 -83.65961 75.19916 
1 1 1   16    6    2 o  142.802   61.110  -0.0049   0.1429  -0.2601   0.2174   0.1895   0.1897  136.262   64.610  215.291   76.374 -79.02898 100.0367 
1 1 1   16    6    3 o  679.703   39.656   2.1464   0.2469   2.1532   0.3693   2.1409   0.3321  676.615   59.944  676.081   53.828 0.5346680 80.56549 
1 1 1   16    6    4 o  308.966   64.263   0.4641   0.1767   0.5045   0.2664   0.4323   0.2362  319.869   87.824  297.086   83.142 22.78360 120.9368 
1 1 1   16    6    5 o  531.491   50.637   1.3309   0.2446   1.1267   0.3072   1.6848   0.4044  482.883   71.290  590.632   76.191 -107.7486 104.3424 
1 1 1   16    6    6 o  318.065   75.690   0.5032   0.2183   0.3298   0.2645   0.8739   0.3867  266.740   90.427  412.631  102.339 -145.8915 136.5663 
1 1 1   16    6    7 o  1061.77   39.991   5.2595   0.3907   6.0832   0.5680   4.5195   0.5383  1135.24   54.370  973.991   60.363 161.2539 81.23952 
1 1 1   16    6    8 o  572.097   53.411   1.5618   0.2779   1.8704   0.3961   1.2624   0.3901  618.558   70.862  498.616   88.250 119.9423 113.1786 
1 1 1   16    6    9 o  995.347   52.124   4.7115   0.4757   4.6059   0.5699   4.9541   0.8642  976.275   63.785  983.062   96.789 -6.786499 115.9164 
1 1 1   16    6   10 o  653.665   49.453   2.0347   0.2953   2.3554   0.3978   1.6414   0.4406  696.606   62.733  566.878   87.258 129.7281 107.4681 
1 1 1   16    6   11 o  695.928   58.662   2.3379   0.3721   2.3086   0.5441   2.3636   0.5102  670.868   90.439  684.545   82.666 -13.67712 122.5271 
1 1 1   16    6   12 o  525.614   62.573   1.3491   0.2967   1.0011   0.3711   1.9651   0.4938  435.611   95.246  618.937   89.292 -183.3270 130.5561 
1 1 1   16    6   13 o  547.010   64.482   1.4635   0.3183   1.5728   0.4317   1.3333   0.4713  554.293   87.547  498.010  106.088 56.28333 137.5469 
1 1 1   16    6   14 o  311.321   92.161   0.5014   0.2826   0.7671   0.3802   0.1734   0.4226  378.279  105.343  258.593  107.539 119.6859 150.5382 
1 1 1   16    6   15 o  485.740   72.270   1.1665   0.3132   1.1960   0.4157   1.1278   0.4762  479.237   97.587  456.293  113.808 22.94394 149.9180 
1 1 1   16    6   16 o  308.680  100.540   0.4862   0.3277   0.7640   0.4333   0.1153   0.5008  375.871  114.760  266.491  114.225 109.3792 161.9172 
1 1 1   16    6   17 f  606.326   81.689   1.8568   0.4442   1.2273   0.6043   2.5964   0.6550  457.578  134.563  699.803  104.960 -242.2247 170.6568 
1 1 1   16    6   18 o  357.446  105.430   0.7096   0.3705   0.4509   0.4690   1.1389   0.6042  304.566  117.750  430.492  136.170 -125.9257 180.0202 
1 1 1   16    6   19 o  299.910  114.918   0.4815   0.4439   0.7602   0.5170  -0.3003   0.8659  351.911  125.953  270.978  128.622 80.93256 180.0215 
1 1 1   16    6   20 o  656.734  131.886   2.8616   0.7693   2.8616   0.7693   0.0000   0.0000  656.734  131.886  ?   ?  0.000000 131.8863 
1 1 1   16    6   21 o  220.441  107.244  -0.4308   0.6939  -0.8190   1.0804  -0.1583   0.9053  243.758  121.386  255.626  123.929 -11.86742 173.4730 
1 1 1   16    8    0 o  1044.13   34.195   5.0348   0.3285   5.2355   0.4681   4.8400   0.4612  1062.81   47.869  1021.70   49.056 41.11566 68.54086 
1 1 1   16    8    1 o  1201.13   33.050   6.6645   0.3653   7.0501   0.5378   6.3343   0.4977  1232.77   47.410  1168.74   46.280 64.03149 66.25339 
1 1 1   16    8    2 o  846.991   35.425   3.3187   0.2761   3.1295   0.4001   3.4906   0.3814  817.981   53.458  865.364   48.091 -47.38354 71.90551 
1 1 1   16    8    3 o  1307.57   35.769   7.9173   0.4304   7.8385   0.5652   8.0260   0.6638  1297.91   47.328  1310.74   55.039 -12.83215 72.58984 
1 1 1   16    8    4 o  269.368   69.857   0.3561   0.1746   0.5345   0.2433   0.1666   0.2508  328.233   81.034  223.281   86.164 104.9514 118.2829 
1 1 1   16    8    5 o  431.267   53.280   0.8853   0.2069   0.8071   0.2861   0.9711   0.2997  403.508   79.872  444.930   75.933 -41.42249 110.2059 
1 1 1   16    8    6 o  308.992   69.071   0.4735   0.1915   0.4723   0.2611   0.4749   0.2815  306.333   87.989  307.500   92.200 -1.167358 127.4476 
1 1 1   16    8    7 o  785.583   41.659   2.8951   0.3001   2.5654   0.3885   3.3828   0.4725  732.677   58.098  840.074   61.547 -107.3972 84.63700 
1 1 1   16    8    8 o  178.914   73.826   0.0627   0.1969   0.1162   0.2603  -0.0089   0.3011  210.541   85.643  199.847   87.114 10.69377 122.1620 
1 1 1   16    8    9 o  644.974   63.228   2.0215   0.3704   1.8397   0.4308   2.5368   0.7253  606.117   79.140  680.600  120.208 -74.48334 143.9204 
1 1 1   16    8   10 o  186.015   79.473   0.0277   0.2410  -0.1784   0.3058   0.3656   0.3915  176.778   81.403  285.576  108.284 -108.7984 135.4694 
1 1 1   16    8   11 o  563.080   59.543   1.5382   0.3038   1.8203   0.3957   1.1329   0.4743  605.916   72.405  452.566  113.956 153.3496 135.0131 
1 1 1   16    8   12 f  530.743   74.614   1.4070   0.3543   1.3533   0.4968   1.4626   0.5055  497.752  111.271  519.473  109.213 -21.72083 155.9124 
1 1 1   16    8   13 o  795.215   51.566   3.0136   0.3753   3.5885   0.5093   2.3307   0.5551  859.619   64.868  674.110   91.884 185.5088 112.4741 
1 1 1   16    8   14 o  371.404   87.093   0.7118   0.2925   0.8753   0.3851   0.4889   0.4497  405.565  102.991  318.380  116.970 87.18442 155.8499 
1 1 1   16    8   15 o  161.725   75.506  -0.2272   0.2772  -0.2718   0.3557  -0.1583   0.4424  183.557   85.643  220.628  100.187 -37.07123 131.8037 
1 1 1   16    8   16 o  578.926   83.356   1.6913   0.4312   1.7526   0.6438   1.6414   0.5808  558.093  128.087  546.606  118.855 11.48651 174.7361 
1 1 1   16    8   17 o  291.784  101.093   0.4305   0.3310   0.2376   0.4311   0.7078   0.5168  267.218  109.624  358.012  126.172 -90.79410 167.1425 
1 1 1   16    8   18 o  757.925   67.442   2.8586   0.4654   2.9446   0.6197   2.7474   0.7049  745.974   92.249  698.153  113.642 47.82117 146.3704 
1 1 1   16    8   19 o  239.376  104.667   0.1157   0.4377  -0.1502   0.5257   0.7168   0.7903  226.991  105.300  340.763  144.707 -113.7720 178.9645 
1 1 1   16    8   20 o  196.895   93.966  -0.3111   0.4750  -0.2149   0.5937  -0.4823   0.7919  225.035  106.724  235.955  114.740 -10.92043 156.7013 
1 1 1   16   10    1 o  1231.34   44.920   7.0454   0.5090   7.0454   0.5090   0.0000   0.0000  1231.34   44.920  ?   ?  0.000000 44.91967 
1 1 1   16   10    2 o  874.039   44.583   3.5624   0.3574   3.6551   0.3903   3.0808   0.8892  884.403   48.140  775.701  129.113 108.7016 137.7952 
1 1 1   16   10    3 o  686.098   37.267   2.1911   0.2344   2.1771   0.3317   2.2051   0.3313  679.769   53.454  684.281   53.031 -4.511963 75.29716 
1 1 1   16   10    4 o  722.325   35.581   2.4228   0.2365   2.5673   0.3107   2.2239   0.3646  739.953   45.862  684.411   58.454 55.54303 74.29807 
1 1 1   16   10    5 o  198.305   69.866   0.1690   0.1585   0.1378   0.2001   0.2216   0.2596  200.105   77.038  236.544   88.495 -36.43875 117.3290 
1 1 1   16   10    6 o  227.226   75.583   0.2420   0.1848   0.5705   0.2425  -0.2130   0.2854  335.694   79.710  166.983   77.508 168.7104 111.1808 
1 1 1   16   10    7 o  704.046   42.591   2.3336   0.2746   2.2886   0.3486   2.4070   0.4458  691.909   55.219  701.927   69.950 -10.01794 89.11910 
1 1 1   16   10    8 o  950.293   39.673   4.2321   0.3469   4.5296   0.4512   3.8022   0.5425  976.492   50.392  883.633   67.220 92.85919 84.01110 
1 1 1   16   10    9 o  634.083   50.504   1.9187   0.2922   1.9052   0.3766   1.9392   0.4634  623.721   66.642  619.127   83.461 4.593750 106.8035 
1 1 1   16   10   10 o  298.200   96.123   0.4578   0.3000   0.7829   0.3734  -0.1340   0.5038  380.646  103.762  235.882  107.038 144.7642 149.0766 
1 1 1   16   10   11 o  856.182   47.627   3.4788   0.3737   3.3270   0.4715   3.7354   0.6130  828.320   62.320  865.953   77.754 -37.63196 99.64689 
1 1 1   16   10   12 o  392.126   91.281   0.8062   0.3232   0.8054   0.4645   0.8069   0.4500  381.099  119.231  381.998  117.004 -0.8986511 167.0514 
1 1 1   16   10   13 o  917.524   48.173   3.9873   0.4053   3.8100   0.5426   4.2109   0.6096  885.070   67.125  926.950   72.031 -41.87994 98.45951 
1 1 1   16   10   14 o  691.757   54.485   2.2851   0.3440   2.1520   0.4717   2.4362   0.5028  657.962   79.531  700.576   79.390 -42.61395 112.3742 
1 1 1   16   10   15 o  233.189   95.272   0.1486   0.3239  -0.2093   0.4944   0.4179   0.4288  227.963  104.429  302.429  113.623 -74.46616 154.3233 
1 1 1   16   10   16 o  265.788   99.630   0.3122   0.3293   0.3068   0.4111   0.3218   0.5501  277.214  109.346  299.965  123.537 -22.75171 164.9783 
1 1 1   16   10   17 o  523.421   96.852   1.4632   0.4493   1.3643   0.5065   1.8288   0.9735  491.875  114.106  505.402  173.457 -13.52679 207.6237 
1 1 1   16   10   18 o  583.486   99.355   1.8761   0.5143   1.4688   0.5557   4.3112   1.3587  492.211  123.026  719.942  198.628 -227.7313 233.6423 
1 1 1   16   10   19 o  245.322  102.544   0.2370   0.3870  -0.1375   0.5248   0.6834   0.5730  224.501  104.504  326.041  128.937 -101.5402 165.9699 
1 1 1   16   10   20 o  732.437   71.758   2.8621   0.4774   3.0954   0.6656   2.6150   0.6851  710.937  104.902  623.602  123.764 87.33478 162.2406 
1 1 1   16   12    0 o  515.673  102.474   1.3376   0.4691   1.0545   0.6323   1.6843   0.6997  449.668  138.852  564.809  136.209 -115.1407 194.5066 
1 1 1   16   12    1 o  602.365   94.103   1.7988   0.5045   1.4132   0.6764   2.2824   0.7575  513.540  139.512  661.174  129.146 -147.6341 190.1108 
1 1 1   16   12    2 o  780.735   44.689   2.8533   0.3197   2.7965   0.3473   3.1685   0.8180  771.502   49.184  786.560  116.549 -15.05841 126.5017 
1 1 1   16   12    3 o  1015.31   35.464   4.7906   0.3313   4.3834   0.4537   5.2558   0.4849  964.683   51.300  1058.34   49.797 -93.65839 71.49368 
1 1 1   16   12    4 o  586.067   38.133   1.6074   0.2045   1.5703   0.2566   1.6720   0.3386  576.128   48.869  589.231   63.450 -13.10327 80.08804 
1 1 1   16   12    5 o  319.898   63.808   0.5055   0.1812   0.4648   0.2241   0.5826   0.3081  302.860   79.432  335.597   95.318 -32.73666 124.0766 
1 1 1   16   12    6 o  383.878   62.995   0.7235   0.2148   0.7318   0.2708   0.7094   0.3527  379.494   80.067  366.059  101.288 13.43466 129.1124 
1 1 1   16   12    7 o  708.683   40.667   2.3632   0.2641   2.1723   0.3395   2.6556   0.4202  673.024   55.313  740.693   62.228 -67.66968 83.25774 
1 1 1   16   12    8 o  765.280   41.429   2.7588   0.2906   2.8243   0.3929   2.6796   0.4319  767.016   56.057  742.465   63.846 24.55078 84.96263 
1 1 1   16   12    9 f  300.139   79.864   0.4633   0.2244   0.7553   0.3065   0.1255   0.3296  380.025   89.172  228.909   95.069 151.1159 130.3447 
1 1 1   16   12   10 o  386.209   84.988   0.7726   0.2938   0.2412   0.3548   1.9334   0.5243  255.365  101.307  608.222   96.939 -352.8574 140.2151 
1 1 1   16   12   11 o  899.855   43.096   3.8120   0.3568   3.2992   0.4721   4.4955   0.5450  824.763   62.674  964.066   61.765 -139.3029 87.99383 
1 1 1   16   12   12 o  965.911   53.164   4.4486   0.4707   4.9404   0.5527   3.1493   0.8983  1013.60   59.515  744.177  136.196 269.4288 148.6320 
1 1 1   16   12   13 o  2166.31   54.330   22.294   1.0830   22.623   1.3290   21.644   1.8685  2164.98   66.711  2061.44   98.507 103.5469 118.9709 
1 1 1   16   12   14 o  212.262   90.939   0.0385   0.3171  -0.4859   0.4706   0.4748   0.4292  197.531   94.065  313.816  114.433 -116.2854 148.1320 
1 1 1   16   12   15 o  1011.36   48.984   4.8411   0.4558   5.2544   0.6525   4.4470   0.6371  1037.84   68.711  950.658   73.405 87.18604 100.5454 
1 1 1   16   12   16 f  447.437   88.221   1.0456   0.3503   0.5594   0.4801   1.5990   0.5123  327.938  120.805  542.644  106.398 -214.7063 160.9792 
1 1 1   16   12   17 o  1099.08   55.949   5.8637   0.5640   5.6557   0.7177   6.1994   0.9118  1058.84   74.132  1083.18   92.364 -24.33643 118.4343 
1 1 1   16   12   18 f  565.284   84.734   1.7143   0.4272   2.2464   0.6291   1.2590   0.5819  613.330  115.713  434.232  133.057 179.0983 176.3340 
1 1 1   16   12   19 o  154.516   76.043  -0.5967   0.3804  -0.5290   0.5469  -0.6601   0.5294  196.183   95.389  185.199   90.855 10.98351 131.7334 
1 1 1   16   12   20 o  700.601  208.747   6.0288   1.4466   6.0288   1.4466   0.0000   0.0000  700.601  208.747  ?   ?  0.000000 208.7473 
1 1 1   16   14    0 o  799.565   84.461   3.1325   0.6120   3.1873   0.8289   3.0669   0.9074  784.706  118.485  757.339  135.174 27.36670 179.7523 
1 1 1   16   14    1 o  391.674  123.027   0.8067   0.4940   1.4218   0.7109   0.2323   0.6869  503.960  145.303  319.858  135.320 184.1016 198.5561 
1 1 1   16   14    2 o  1175.38   39.358   6.4449   0.4257   6.4712   0.4575   6.2757   1.1613  1176.53   42.261  1098.51  116.672 78.02490 124.0903 
1 1 1   16   14    3 o  397.240   52.371   0.7572   0.1868   0.7923   0.1923   0.1791   0.7806  406.390   52.677  323.611  140.672 82.77924 150.2111 
1 1 1   16   14    4 o  329.008   51.834   0.5235   0.1517   0.4840   0.2016   0.5751   0.2305  310.186   72.008  337.310   76.070 -27.12360 104.7463 
1 1 1   16   14    5 o  361.969   53.341   0.6342   0.1723   0.4910   0.2333   0.8061   0.2557  309.652   80.966  401.889   71.771 -92.23755 108.1968 
1 1 1   16   14    6 o  383.456   56.783   0.7158   0.1943   0.6631   0.2704   0.7720   0.2794  358.604   83.508  388.721   80.740 -30.11700 116.1573 
1 1 1   16   14    7 o  259.998   75.131   0.3414   0.1899   0.1229   0.2580   0.5996   0.2804  210.314   85.370  338.685   88.862 -128.3721 123.2255 
1 1 1   16   14    8 o  376.490   90.919   0.7446   0.3114   0.7814   0.3523   0.6129   0.6658  382.121   99.299  352.660  139.134 29.46002 170.9348 
1 1 1   16   14    9 o  425.847   84.853   0.9348   0.3208   1.0654   0.3497   0.2417   0.8058  454.245   86.838  323.568  141.735 130.6761 166.2218 
1 1 1   16   14   10 o  669.378   55.472   2.1538   0.3386   2.1351   0.4264   2.1857   0.5570  657.260   71.670  647.981   96.351 9.279724 120.0835 
1 1 1   16   14   11 o  1136.26   40.870   6.0590   0.4273   5.4781   0.5826   6.7351   0.6286  1067.28   59.566  1186.58   57.571 -119.3018 82.84038 
1 1 1   16   14   12 o  834.927   48.925   3.3034   0.3742   3.3332   0.5137   3.2696   0.5463  827.647   68.054  815.973   73.553 11.67340 100.2068 
1 1 1   16   14   13 o  782.477   80.533   3.0434   0.5716   2.8367   1.0414   3.1325   0.6838  675.769  168.150  781.191   97.225 -105.4219 194.2348 
1 1 1   16   14   14 o  617.112   62.818   1.8496   0.3517   1.6312   0.4760   2.1124   0.5221  560.468   95.725  642.622   90.825 -82.15460 131.9561 
1 1 1   16   14   15 o  1085.04   49.725   5.5953   0.4965   4.6840   0.6606   6.7783   0.7526  971.462   74.462  1174.34   69.965 -202.8785 102.1749 
1 1 1   16   14   16 o  318.913  107.955   0.5557   0.3770   0.5502   0.4787   0.5646   0.6117  321.263  120.181  331.452  132.529 -10.18933 178.9064 
1 1 1   16   14   17 o  388.670  101.535   0.8658   0.3671   0.8411   0.4964   0.8956   0.5454  367.198  123.881  374.074  129.749 -6.875977 179.3915 
1 1 1   16   14   18 o  211.500   94.848   0.0171   0.3824   0.3928   0.5443  -0.3491   0.5373  281.035  119.733  208.227   99.529 72.80757 155.6988 
1 1 1   16   14   19 o  152.127   74.784  -0.5380   0.3645  -0.0986   0.5171  -0.9718   0.5139  217.123  101.934  163.939   81.960 53.18460 130.7976 
1 1 1   16   16    0 o  491.093   49.241   1.1460   0.2195   1.1572   0.2281   1.0053   0.8097  492.929   51.018  427.285  156.962 65.64328 165.0453 
1 1 1   16   16    1 o  632.010  114.848   2.1234   0.6433   1.7213   0.8849   2.5740   0.9368  530.945  164.321  660.751  156.493 -129.8060 226.9177 
1 1 1   16   16    2 o  599.955   52.474   1.7166   0.2868   1.7247   0.3034   1.6479   0.8793  600.128   55.565  516.151  164.378 83.97650 173.5157 
1 1 1   16   16    3 o  403.318   57.264   0.7895   0.2065   0.8108   0.2135   0.4777   0.8168  408.367   58.484  353.907  148.520 54.45914 159.6203 
1 1 1   16   16    4 o  337.834   73.763   0.5773   0.2229   0.5968   0.2319   0.3421   0.8072  342.957   75.523  336.805  144.710 6.152222 163.2319 
1 1 1   16   16    5 o  292.027   74.109   0.4337   0.1995   0.5251   0.2461   0.2586   0.3406  318.935   83.042  256.908  100.059 62.02740 130.0294 
1 1 1   16   16    6 o  858.570   40.175   3.4591   0.3174   3.3195   0.3824   3.7681   0.5691  835.268   49.982  875.599   71.249 -40.33063 87.03268 
1 1 1   16   16    7 o  650.429   42.950   1.9996   0.2556   2.0957   0.3573   1.8988   0.3659  658.014   59.656  623.405   64.721 34.60950 88.02068 
1 1 1   16   16    8 o  303.072   78.932   0.4722   0.2223   0.3878   0.2984   0.5776   0.3333  279.686   96.026  329.867  100.632 -50.18091 139.0968 
1 1 1   16   16    9 o  749.770   45.707   2.6628   0.3138   2.8756   0.4328   2.4269   0.4557  770.454   61.564  701.243   71.633 69.21130 94.45287 
1 1 1   16   16   10 f  825.510   46.780   3.2267   0.3539   3.3561   0.4866   3.0814   0.5156  831.824   64.065  791.894   71.533 39.92957 96.02718 
1 1 1   16   16   11 o  1164.84   59.489   6.5049   0.6355   6.9017   0.9693   6.2058   0.8416  1169.39   90.794  1117.26   82.447 52.12927 122.6422 
1 1 1   16   16   12 o  386.202   93.259   0.7790   0.3277   0.2968   0.4944   1.1567   0.4376  290.912  118.146  466.360  104.548 -175.4484 157.7621 
1 1 1   16   16   13 o  186.471   85.888  -0.1953   0.3407   0.0513   0.4788  -0.4481   0.4849  252.566  109.981  203.502   96.494 49.06316 146.3113 
1 1 1   16   16   14 o  250.919   96.344   0.2607   0.3124  -0.0475   0.4145   0.6658   0.4752  223.583   99.618  349.540  121.119 -125.9569 156.8237 
1 1 1   16   16   15 o  363.236  103.225   0.7326   0.3613   1.1576   0.4788   0.1708   0.5505  449.036  115.286  273.713  118.556 175.3228 165.3675 
1 1 1   16   16   16 o  439.273   96.210   1.0717   0.3781   1.3261   0.5159   0.7764   0.5558  468.484  119.347  354.085  130.046 114.3992 176.5103 
1 1 1   16   16   17 o  249.786  101.171   0.2851   0.3615   0.2512   0.4855   0.3273   0.5416  259.515  111.871  274.987  118.348 -15.47205 162.8539 
1 1 1   16   16   18 o  353.603  111.590   0.8351   0.4059   1.4068   0.5830   0.2972   0.5655  431.289  133.361  262.018  116.577 169.2708 177.1305 
1 1 1   16   18    0 o  620.726   41.112   1.8128   0.2335   1.8643   0.2986   1.7317   0.3747  625.286   52.373  594.518   69.815 30.76782 87.27534 
1 1 1   16   18    1 o  1162.79   33.751   6.3002   0.3611   6.2919   0.4822   6.3108   0.5449  1156.17   45.326  1154.26   51.307 1.916626 68.46052 
1 1 1   16   18    2 o  173.506   70.454   0.0724   0.1758  -0.0842   0.2475   0.2318   0.2498  169.552   76.151  234.409   86.983 -64.85625 115.6069 
1 1 1   16   18    3 o  644.409   38.516   1.9507   0.2273   1.7909   0.2716   2.3246   0.4154  613.637   48.501  690.420   66.201 -76.78351 82.06668 
1 1 1   16   18    4 o  348.137   64.749   0.6020   0.1998   0.5989   0.2406   0.6088   0.3585  342.292   78.117  338.392  104.563 3.899658 130.5210 
1 1 1   16   18    5 o  202.153   77.762   0.1502   0.2037   0.0015   0.2472   0.4653   0.3598  183.282   79.414  303.585  105.380 -120.3026 131.9529 
1 1 1   16   18    6 f  186.976   79.692   0.0327   0.2413  -0.1283   0.2910   0.3873   0.4317  178.107   81.022  294.499  113.219 -116.3917 139.2237 
1 1 1   16   18    7 o  593.038   55.414   1.6930   0.2989   1.9503   0.3659   1.1771   0.5181  632.499   63.741  456.960  121.219 175.5396 136.9561 
1 1 1   16   18    8 f  814.243   47.094   3.1424   0.3513   2.8256   0.4211   3.8682   0.6374  764.811   60.325  880.814   79.495 -116.0029 99.79259 
1 1 1   16   18    9 o  420.518   80.650   0.8985   0.3007   0.8445   0.3641   1.0145   0.5334  398.719   99.546  423.848  126.862 -25.12820 161.2558 
1 1 1   16   18   10 o  750.141   56.488   2.6946   0.3870   2.1528   0.5824   3.1231   0.5180  642.615  101.894  798.958   71.202 -156.3424 124.3066 
1 1 1   16   18   11 f  449.649   95.621   1.0562   0.3835   0.8626   0.4950   1.3468   0.6064  395.141  122.998  485.799  132.145 -90.65756 180.5296 
1 1 1   16   18   12 o  456.233   81.416   1.0580   0.3293   1.1488   0.4523   0.9555   0.4803  460.306  108.545  413.796  119.469 46.50977 161.4156 
1 1 1   16   18   13 o  327.741  109.886   0.5741   0.3906   0.5672   0.5633   0.5805   0.5420  335.430  129.222  336.181  127.423 -0.7513428 181.4796 
1 1 1   16   18   14 o  448.721   94.930   1.0857   0.3797   1.1588   0.4762   0.9578   0.6293  449.195  114.780  393.886  139.182 55.30936 180.4051 
1 1 1   16   18   15 o  736.272   64.401   2.7080   0.4319   2.4896   0.5826   2.9745   0.6435  674.362   96.660  736.912   97.284 -62.55060 137.1401 
1 1 1   16   18   16 o  612.852   80.627   2.0126   0.4436   2.1062   0.6384   1.9253   0.6170  574.716  124.328  547.112  125.254 27.60455 176.4821 
1 1 1   16   18   17 o  228.664  100.005   0.1619   0.3998  -0.2516   0.5453   0.6422   0.5878  211.592  100.896  304.779  126.796 -93.18733 162.0404 
1 1 1   16   20    0 o  507.298   52.544   1.2327   0.2417   1.5324   0.3102   0.7694   0.3856  562.589   60.898  378.813  106.302 183.7754 122.5095 
1 1 1   16   20    1 o  329.146   75.081   0.5497   0.2224   0.3023   0.2804   0.9689   0.3650  257.261   92.688  430.153   94.784 -172.8916 132.5703 
1 1 1   16   20    2 o  390.068   71.112   0.7610   0.2458   0.4810   0.3312   1.1046   0.3669  306.423  101.140  462.486   89.445 -156.0635 135.0175 
1 1 1   16   20    3 o  753.169   49.819   2.6986   0.3433   3.2267   0.4948   2.2083   0.4768  813.630   66.675  664.260   79.583 149.3699 103.8219 
1 1 1   16   20    4 o  683.109   54.322   2.2368   0.3386   2.1307   0.4663   2.3551   0.4925  652.201   79.341  685.931   79.507 -33.73041 112.3228 
1 1 1   16   20    5 o  271.719   84.345   0.3733   0.2330   0.5210   0.2778   0.0237   0.4275  316.033   90.756  237.070  103.559 78.96309 137.6993 
1 1 1   16   20    6 o  207.741   82.855   0.1343   0.2385   0.0097   0.2797   0.4660   0.4564  195.492   84.590  312.639  117.271 -117.1468 144.5960 
1 1 1   16   20    7 o  184.434   79.976  -0.0016   0.2511  -0.0966   0.2923   0.2656   0.4904  183.416   82.537  284.484  116.841 -101.0678 143.0530 
1 1 1   16   20    8 o  396.771   88.088   0.8129   0.3132   0.5490   0.3783   1.3884   0.5587  325.857  108.117  500.337  122.358 -174.4802 163.2813 
1 1 1   16   20    9 o  238.106   96.771   0.1653   0.3320  -0.1098   0.4101   0.6883   0.5655  217.216   97.754  362.557  131.476 -145.3409 163.8346 
1 1 1   16   20   10 f  519.700   72.749   1.3393   0.3384   1.1860   0.4101   1.6662   0.5989  475.791   96.958  548.601  121.808 -72.80997 155.6862 
1 1 1   16   20   11 o  261.373  104.522   0.2483   0.3805  -0.3758   0.4803   1.3002   0.6236  207.463   97.664  469.539  136.302 -262.0762 167.6795 
1 1 1   16   20   12 o  987.038   59.584   4.7221   0.5386   5.0103   0.6184   3.8161   1.0965  1010.20   66.904  778.497  158.452 231.7058 171.9974 
1 1 1   16   20   13 o  219.628  103.019  -0.3055   0.5262  -0.3055   0.5262   0.0000   0.0000  219.628  103.019  ?   ?  0.000000 103.0191 
1 1 1   16   20   14 f  292.921  103.928   0.4726   0.3512   0.6041   0.4788   0.3193   0.5169  321.978  120.238  279.531  117.772 42.44754 168.3078 
1 1 1   16   20   15 o  171.964   81.596  -0.2733   0.3479  -0.3269   0.4619  -0.2030   0.5289  195.394   93.086  218.721  102.813 -23.32713 138.6921 
1 1 1   16   20   16 o  469.285  100.877   1.3456   0.4226   1.2536   0.5810   1.4490   0.6160  402.079  134.016  429.556  137.668 -27.47702 192.1266 
1 1 1   16   20   17 o  350.981  144.825   1.2600   0.7578   1.2969   1.1858   1.2345   0.9853  320.775  151.750  327.090  148.912 -6.314911 212.6097 
1 1 1   16   22    0 o  827.396   46.993   3.2381   0.3563   2.8023   0.4463   4.0043   0.5918  760.448   64.379  904.600   71.682 -144.1525 96.34812 
1 1 1   16   22    1 f  307.264   88.866   0.4872   0.2655   0.4036   0.3410   0.6161   0.4232  289.058  102.416  341.890  114.387 -52.83209 153.5366 
1 1 1   16   22    2 o  258.927   93.054   0.3078   0.2824   0.3032   0.3854   0.3133   0.4152  273.842  106.495  280.379  110.108 -6.536957 153.1834 
1 1 1   16   22    3 o  1219.64   45.229   7.0067   0.5076   7.0098   0.7121   7.0034   0.7238  1204.08   64.504  1202.48   65.659 1.599243 92.04308 
1 1 1   16   22    4 o  729.861   59.595   2.5660   0.3967   2.6719   0.5635   2.4619   0.5587  728.062   85.756  696.089   89.285 31.97345 123.7976 
1 1 1   16   22    5 o  212.550   90.331   0.0564   0.3084   0.0035   0.4564   0.1009   0.4183  242.462  106.427  247.004  105.097 -4.541519 149.5726 
1 1 1   16   22    6 o  575.052   87.215   1.6762   0.4470   1.0425   0.6809   2.1561   0.5926  425.649  145.082  642.008  103.854 -216.3589 178.4225 
1 1 1   16   22    7 o  641.516   62.964   1.9932   0.3669   1.6460   0.4581   2.6142   0.6127  567.504   90.786  713.919   95.673 -146.4149 131.8917 
1 1 1   16   22    8 o  352.278   93.875   0.6509   0.3098   0.6238   0.3723   0.7121   0.5586  343.051  106.653  365.506  130.913 -22.45444 168.8585 
1 1 1   16   22    9 o  337.491   98.177   0.6035   0.3232   0.8111   0.3971   0.1962   0.5564  386.202  107.697  284.553  121.140 101.6486 162.0910 
1 1 1   16   22   10 o  235.832   99.547   0.1168   0.3704   0.3922   0.4811  -0.2838   0.5804  299.395  118.230  237.206  110.244 62.18878 161.6544 
1 1 1   16   22   11 o  607.187   82.001   1.8929   0.4464   2.2285   0.5123   0.8339   0.9100  655.245   87.131  380.665  158.018 274.5796 180.4479 
1 1 1   16   22   12 o  286.490  104.560   0.4283   0.3585   0.1444   0.4275   1.1013   0.6582  245.782  105.445  408.353  142.480 -162.5710 177.2550 
1 1 1   16   22   13 o  386.769  133.499   1.0088   0.5770   1.5295   0.6874  -0.2341   1.0619  463.542  145.049  288.791  138.538 174.7511 200.5793 
1 1 1   16   22   14 o  400.043  115.469   1.0383   0.4487   1.1009   0.5479   0.9109   0.7819  393.031  130.104  343.282  144.752 49.74915 194.6286 
1 1 1   16   22   15 o  344.145  120.612   0.8619   0.4719   0.9176   0.5687   0.7388   0.8455  340.870  130.203  307.432  139.167 33.43814 190.5784 
1 1 1   16   24    0 o  741.055   54.625   2.6180   0.3699   2.5773   0.4631   2.6898   0.6146  727.194   70.073  727.447   94.022 -0.2533569 117.2618 
1 1 1   16   24    1 o  232.027   93.644   0.1585   0.3085   0.2829   0.4110  -0.0021   0.4669  276.097  109.199  245.253  107.648 30.84439 153.3382 
1 1 1   16   24    2 o  272.168  100.471   0.3278   0.3324   0.6354   0.4596  -0.0094   0.4812  349.456  119.197  247.582  108.963 101.8737 161.4958 
1 1 1   16   24    3 f  877.751   60.400   3.6975   0.4849   3.9309   0.7303   3.5136   0.6484  882.595   91.242  838.778   85.190 43.81714 124.8294 
1 1 1   16   24    4 o  557.861   88.765   1.5816   0.4404   2.7072   0.7257   0.9254   0.5541  712.880  114.504  407.700  130.554 305.1801 173.6533 
1 1 1   16   24    5 o  796.480   69.589   3.0950   0.5049   2.5787   0.7623   3.4985   0.6739  685.073  125.555  832.323   89.390 -147.2505 154.1250 
1 1 1   16   24    6 o  801.776   66.169   3.1258   0.4838   3.3963   0.7061   2.8863   0.6643  812.665   96.293  746.252   99.195 66.41223 138.2463 
1 1 1   16   24    7 o  593.179   87.749   1.7997   0.4645   1.9994   0.6443   1.5834   0.6703  600.564  120.774  518.502  138.042 82.06262 183.4173 
1 1 1   16   24    8 o  528.179   78.903   1.4134   0.3717   1.4772   0.4548   1.2852   0.6452  528.355   97.123  460.636  139.904 67.71860 170.3111 
1 1 1   16   24    9 o  336.997  105.751   0.6247   0.3651   0.5040   0.4139   1.0475   0.7748  310.691  112.513  406.931  152.765 -96.24002 189.7271 
1 1 1   16   24   10 o  531.846   96.439   1.5357   0.4546   1.1466   0.5655   2.2462   0.7642  428.921  131.132  595.679  141.511 -166.7577 192.9274 
1 1 1   16   24   11 o  396.990  109.915   0.9357   0.4152   1.1313   0.5072   0.5384   0.7229  425.246  122.779  322.075  137.625 103.1712 184.4325 
1 1 1   16   24   12 o  316.136  115.113   0.6172   0.4341   0.7897   0.5191   0.2160   0.7918  344.621  125.817  286.195  131.492 58.42633 181.9896 
1 1 1   16   24   13 o  251.366  113.753   0.1749   0.5644   0.6031   0.6424  -1.2740   1.1817  301.813  129.369  242.904  121.848 58.90858 177.7171 
1 1 1   16   24   14 o  206.164   95.819  -0.0455   0.4384  -0.0275   0.5296  -0.0848   0.7816  221.290  103.654  243.636  117.383 -22.34602 156.5985 
1 1 1   16   26    0 o  275.114  101.367   0.3355   0.3381   0.5821   0.4179  -0.1312   0.5749  336.972  113.669  255.418  115.269 81.55368 161.8878 
1 1 1   16   26    1 o  551.550   86.605   1.5376   0.4251   1.0022   0.5724   2.1958   0.6347  422.995  132.361  644.191  111.079 -221.1960 172.7947 
1 1 1   16   26    2 o  1154.46   53.992   6.3286   0.5735   5.8904   0.7865   6.8264   0.8382  1092.56   78.758  1177.42   77.809 -84.86182 110.7113 
1 1 1   16   26    3 f  423.970  105.120   0.9642   0.4081   1.3646   0.5563   0.4978   0.6004  494.710  122.785  333.694  131.976 161.0163 180.2611 
1 1 1   16   26    4 o  530.109   92.576   1.4563   0.4351   1.7508   0.6273   1.1832   0.6041  558.050  125.245  450.456  135.050 107.5942 184.1870 
1 1 1   16   26    5 o  454.132  106.418   1.1227   0.4369   0.5629   0.5770   1.8754   0.6690  337.131  130.529  570.549  130.297 -233.4183 184.4316 
1 1 1   16   26    6 o  583.869   92.114   1.7830   0.4785   1.8339   0.6796   1.7330   0.6738  555.796  134.371  538.037  136.017 17.75903 191.1967 
1 1 1   16   26    7 o  605.893   96.703   1.9622   0.5210   1.6470   0.6686   2.4497   0.8313  515.889  138.107  623.593  147.238 -107.7040 201.8727 
1 1 1   16   26    8 o  315.771  119.756   0.5410   0.4789  -0.1042   0.5739   2.0215   0.8693  245.098  112.364  530.807  162.633 -285.7092 197.6750 
1 1 1   16   26    9 o  800.037   98.797   3.5482   0.7119   3.5380   1.2364   3.5532   0.8707  634.483  193.879  757.960  129.484 -123.4766 233.1423 
1 1 1   16   26   10 o  183.035   86.096  -0.2308   0.3719  -0.2526   0.4478  -0.1823   0.6681  199.234   93.943  243.764  114.884 -44.52937 148.4036 
1 1 1   16   26   11 o  737.613   75.615   2.9179   0.5060   2.8810   0.6123   2.9973   0.8983  702.203   97.390  609.572  158.624 92.63116 186.1353 
1 1 1   16   26   12 o  248.219  115.900   0.1155   0.6534   0.7915   0.7515  -1.9797   1.3229  310.431  136.404  230.763  117.260 79.66713 179.8773 
1 1 1   16   26   13 o  274.324  134.187   0.3894   1.1296   0.3894   1.1296   0.0000   0.0000  274.324  134.187  ?   ?  0.000000 134.1874 
1 1 1   16   28    0 o  597.265   83.745   1.8072   0.4476   1.5303   0.5535   2.3306   0.7609  526.439  117.265  638.055  133.874 -111.6159 177.9696 
1 1 1   16   28    1 o  274.170  108.516   0.2979   0.4062   0.3274   0.5207   0.2519   0.6493  295.769  120.806  303.854  130.149 -8.084656 177.5748 
1 1 1   16   28    2 o  706.009   77.198   2.5012   0.4933   2.1030   0.6489   3.0466   0.7594  613.361  119.273  745.857  114.293 -132.4957 165.1937 
1 1 1   16   28    3 o  231.088  103.057  -0.0315   0.4447   0.8156   0.5947  -1.1063   0.6699  374.560  134.984  203.461  100.282 171.0987 168.1582 
1 1 1   16   28    4 o  201.335   95.455  -0.3920   0.4742  -0.7689   0.6066   0.2007   0.7606  206.185  100.299  304.530  135.358 -98.34511 168.4692 
1 1 1   16   28    5 o  674.795   93.402   2.4360   0.5644   1.7855   0.7249   3.4376   0.8995  521.969  145.479  750.779  135.174 -228.8101 198.5854 
1 1 1   16   28    6 o  245.761  108.462   0.0873   0.4800   1.0030   0.6765  -0.8408   0.6811  385.901  143.163  212.811  104.119 173.0901 177.0212 
1 1 1   16   28    7 o  490.942  116.229   1.4705   0.5169   2.0051   0.7345   0.9459   0.7276  536.105  145.278  365.871  145.103 170.2337 205.3304 
1 1 1   16   28    8 o  450.150  143.196   1.5138   0.6674   1.9843   1.2587   1.3298   0.7872  417.210  179.990  400.120  153.104 17.09006 236.2987 
1 1 1   16   28    9 f  241.482  111.910   0.0292   0.5916  -0.2524   1.0594   0.1569   0.7131  267.751  130.755  264.047  122.545 3.703339 179.2039 
1 1 1   16   28   10 o  315.473  126.926   0.7727   0.5649   0.8603   0.8044   0.6874   0.7934  314.447  139.510  299.562  135.281 14.88571 194.3294 
1 1 1   16   28   11 o  205.078   97.185  -0.1150   0.4904  -0.4809   0.6120   0.5420   0.8200  199.367   97.781  277.368  129.619 -78.00172 162.3646 
1 1 1   16   30    0 o  199.794   94.646  -0.3676   0.4643  -0.0348   0.5522  -1.1709   0.8579  249.053  112.628  231.251  113.883 17.80243 160.1702 
1 1 1   16   30    1 o  508.006  116.724   1.5128   0.5342   1.5979   0.6647   1.3574   0.8976  497.223  139.563  428.771  163.629 68.45218 215.0631 
1 1 1   16   30    2 o  547.546  114.725   1.7575   0.5595   1.4539   0.6786   2.4025   0.9889  462.317  144.028  552.745  174.142 -90.42838 225.9852 
1 1 1   16   30    3 o  253.042  110.187   0.1640   0.4806   0.0154   0.6244   0.3801   0.7528  258.612  118.050  306.192  135.447 -47.58014 179.6713 
1 1 1   16   30    4 o  146.476   73.989  -1.3294   0.4783  -1.7276   0.6528  -0.8679   0.7028  169.470   85.703  210.966  103.735 -41.49634 134.5582 
1 1 1   16   30    5 o  265.117  116.145   0.2610   0.5412   0.7536   0.8054  -0.1446   0.7308  330.735  143.327  251.884  119.150 78.85121 186.3853 
1 1 1   16   30    6 o  558.557  120.345   2.0416   0.6003   1.5489   0.8373   2.5627   0.8610  406.577  157.294  552.201  160.122 -145.6234 224.4560 
1 1 1   16   30    7 o  293.582  129.705   0.5812   0.6882   0.7629   1.2581   0.5037   0.8221  309.725  149.149  289.623  133.407 20.10266 200.1067 
1 1 1   16   30    8 o  379.588  142.300   1.3458   0.6718   1.7312   1.1574   1.1499   0.8250  349.986  160.127  333.504  144.795 16.48181 215.8847 
1 1 1   16   30    9 o  235.735  120.421  -1.7957   1.5493   0.0000   0.0000  -1.7957   1.5493  ?   ?   235.735  120.421 0.000000 120.4210 
1 1 1   16   32    0 o  271.546  125.900   0.1101   0.7500   3.5358   1.5814  -0.8839   0.8518  490.229  206.242  228.599  112.751 261.6304 235.0500 
1 1 1   16   32    1 o  353.525  144.038   0.9973   0.7379  -1.5512   1.4333   1.9163   0.8607  259.967  130.910  460.040  162.742 -200.0728 208.8599 
1 1 1   16   32    2 o  413.779  134.742   1.2944   0.5885   0.8958   0.7695   1.8559   0.9135  333.885  142.314  429.796  164.816 -95.91107 217.7559 
1 1 1   16   32    3 o  421.660  136.855   1.4026   0.6073   0.7368   0.8373   2.1418   0.8822  310.628  139.745  463.626  164.688 -152.9982 215.9877 
1 1 1   16   32    4 o  255.117  120.348   0.1293   0.7363   0.2216   1.4003   0.0939   0.8657  286.551  141.922  261.481  125.344 25.06927 189.3488 
1 1 1   16   32    5 o  295.295  134.266   0.7297   0.7978  -0.0641   1.3551   1.1507   0.9869  269.379  134.431  320.342  147.041 -50.96259 199.2304 
1 1 1   16   34    0 o  485.505  181.428   3.0799   1.0904   0.0000   0.0000   3.0799   1.0904  ?   ?   485.505  181.428 0.000000 181.4276 
1 1 1   17    1    0 o  310.852   76.153   0.4678   0.2161   0.8451   0.3149   0.1319   0.2971  418.118   84.748  232.047   92.504 186.0705 125.4561 
1 1 1   17    1    1 o  446.673   57.042   0.9400   0.2291   0.8499   0.3212   1.0332   0.3269  418.596   86.256  464.067   79.402 -45.47064 117.2382 
1 1 1   17    1    2 o  1126.15   44.076   5.8696   0.4567   5.4028   0.7850   6.1085   0.5616  1070.30   80.289  1147.29   53.195 -76.99426 96.31260 
1 1 1   17    1    3 f  1205.65   42.983   6.7352   0.4769   7.2682   0.8420   6.4836   0.5786  1241.79   74.025  1180.68   53.256 61.10986 91.19177 
1 1 1   17    1    4 o  514.938   60.554   1.2573   0.2814   0.6910   0.5038   1.5141   0.3393  378.232  124.743  564.080   66.662 -185.8480 141.4377 
1 1 1   17    1    5 o  459.482   63.681   1.0115   0.2620   1.2898   0.4784   0.8922   0.3131  505.028  106.307  425.402   82.978 79.62668 134.8571 
1 1 1   17    1    6 o  796.182   50.721   2.9809   0.3697   2.8859   0.4392   3.2116   0.6844  779.300   61.759  806.245   94.017 -26.94495 112.4872 
1 1 1   17    1    7 o  874.150   48.683   3.5973   0.3900   3.3426   0.4703   4.1585   0.6981  836.892   61.502  920.683   83.300 -83.79095 103.5442 
1 1 1   17    1    8 o  555.642   62.159   1.4914   0.3124   1.3385   0.3759   1.8322   0.5614  517.326   81.685  591.674  107.049 -74.34863 134.6546 
1 1 1   17    1    9 o  507.701   74.558   1.2815   0.3379   1.8585   0.5762   0.9790   0.4172  590.131  110.163  426.998  106.536 163.1332 153.2508 
1 1 1   17    1   10 o  1000.62   45.472   4.7214   0.4187   4.8879   0.5986   4.5620   0.5858  1003.54   65.182  968.670   66.112 34.87286 92.84123 
1 1 1   17    1   11 o  390.944   82.660   0.7858   0.2881   1.1457   0.4203   0.4669   0.3956  463.450  101.376  306.663  110.134 156.7865 149.6889 
1 1 1   17    1   12 o  742.396   54.696   2.6428   0.3710   2.2917   0.5114   3.0328   0.5391  672.670   84.482  781.439   75.931 -108.7688 113.5899 
1 1 1   17    1   13 o  589.774   64.935   1.6996   0.3466   1.3720   0.4812   2.0525   0.4995  504.980  106.897  634.314   87.942 -129.3336 138.4219 
1 1 1   17    1   14 o  640.404   61.049   1.9823   0.3554   2.4411   0.5182   1.5749   0.4883  698.321   82.219  548.342  100.486 149.9793 129.8363 
1 1 1   17    1   15 o  1356.85   49.442   8.6918   0.6173   7.9235   0.8552   9.5276   0.8920  1274.53   73.227  1403.69   69.058 -129.1636 100.6537 
1 1 1   17    1   16 o  216.769   91.429   0.0743   0.3121   0.3442   0.4225  -0.2499   0.4629  287.891  111.631  216.082   99.737 71.80934 149.6958 
1 1 1   17    1   17 o  595.210   75.784   1.7698   0.4056   1.5416   0.5229   2.1145   0.6428  532.472  110.356  620.471  116.868 -87.99908 160.7380 
1 1 1   17    1   18 o  995.052   66.678   4.8848   0.6070   5.3169   0.9060   4.5329   0.8176  998.030  100.001  924.053   97.634 73.97766 139.7591 
1 1 1   17    1   19 o  243.323  103.799   0.1650   0.4100   0.0220   0.5757   0.3122   0.5840  253.984  114.916  286.576  123.109 -32.59189 168.4089 
1 1 1   17    1   20 o  770.138   68.181   3.0683   0.4782   3.4295   0.6922   2.7387   0.6613  768.418  100.295  671.607  110.876 96.81116 149.5077 
1 1 1   17    1   21 o  438.359  139.163   1.5497   0.6306   2.2598   1.0314   1.1259   0.7969  433.315  172.472  345.892  146.009 87.42355 225.9761 
1 1 1   17    3    0 o  579.502   48.676   1.5644   0.2572   1.2777   0.3638   1.8507   0.3636  517.600   78.876  628.124   63.786 -110.5242 101.4399 
1 1 1   17    3    1 o  962.548   39.204   4.2808   0.3472   4.1818   0.4997   4.3732   0.4829  947.344   57.595  969.512   54.345 -22.16840 79.18719 
1 1 1   17    3    2 f  1022.55   43.515   4.8409   0.4094   4.8405   0.6969   4.8411   0.5060  1013.58   75.264  1019.43   54.131 -5.855347 92.70844 
1 1 1   17    3    3 o  684.711   49.218   2.1894   0.3080   1.5860   0.5109   2.5339   0.3861  567.643  101.546  734.976   57.547 -167.3329 116.7186 
1 1 1   17    3    4 o  821.266   40.223   3.1284   0.3040   3.0255   0.4350   3.2267   0.4249  801.758   59.381  829.126   56.028 -27.36755 81.64066 
1 1 1   17    3    5 o  567.396   47.143   1.5110   0.2439   1.3438   0.3397   1.6890   0.3504  527.896   71.789  595.042   65.063 -67.14569 96.88586 
1 1 1   17    3    6 o  505.964   53.915   1.2157   0.2471   1.4876   0.3483   0.9399   0.3508  554.872   69.752  431.806   91.147 123.0664 114.7743 
1 1 1   17    3    7 o  223.667   88.054   0.1614   0.2661   0.1614   0.2661   0.0000   0.0000  223.667   88.054  ?   ?  0.000000 88.05435 
1 1 1   17    3    8 o  1143.13   41.990   6.1212   0.4417   6.3473   0.6152   5.8808   0.6345  1153.34   58.159  1106.95   62.545 46.38501 85.40732 
1 1 1   17    3    9 o  283.857   85.749   0.4095   0.2429   0.2218   0.3350   0.6174   0.3526  249.272   98.584  341.712  103.343 -92.43983 142.8236 
1 1 1   17    3   10 o  1211.92   51.075   6.9713   0.5696   6.8158   1.0054   7.0448   0.6912  1152.14   95.699  1207.83   62.405 -55.68689 114.2480 
1 1 1   17    3   11 o  901.091   57.025   3.8997   0.4704   4.6641   0.6107   2.7845   0.7376  976.983   68.360  715.841  115.945 261.1416 134.5971 
1 1 1   17    3   12 o  642.464   70.433   2.0355   0.4096   2.1312   0.5005   1.8418   0.7124  647.220   86.189  559.598  138.980 87.62201 163.5362 
1 1 1   17    3   13 o  318.887   95.432   0.5322   0.3018   0.6041   0.4250   0.4590   0.4288  338.071  114.622  308.453  114.064 29.61798 161.7062 
1 1 1   17    3   14 o  691.762   57.689   2.2983   0.3639   2.4628   0.4945   2.1040   0.5373  704.726   77.543  640.332   93.985 64.39410 121.8442 
1 1 1   17    3   15 o  485.647   75.085   1.1721   0.3247   1.0136   0.4237   1.3974   0.5054  435.878  106.546  511.142  110.664 -75.26407 153.6183 
1 1 1   17    3   16 o  198.938   86.793  -0.0103   0.2995  -0.2671   0.3723   0.4607   0.5041  188.822   87.937  318.337  122.354 -129.5155 150.6763 
1 1 1   17    3   17 o  333.580  105.579   0.5951   0.3632   0.9203   0.5830   0.3890   0.4642  398.988  134.256  298.046  116.615 100.9416 177.8303 
1 1 1   17    3   18 o  365.203  105.718   0.7468   0.3756   0.7543   0.4905   0.7360   0.5840  360.827  123.139  357.275  132.924 3.552216 181.1959 
1 1 1   17    3   19 o  598.870  101.933   2.0177   0.5416   2.0282   0.6476   1.9931   0.9877  572.731  126.286  487.450  174.136 85.28104 215.1077 
1 1 1   17    3   20 o  457.174  116.896   1.3457   0.4937   2.1392   0.6325   0.1083   0.7898  573.015  123.583  272.656  127.348 300.3585 177.4553 
1 1 1   17    3   21 o  316.717  128.820   0.7772   0.5889  -0.3365   0.8712   1.7143   0.7991  242.267  118.366  416.769  155.403 -174.5022 195.3471 
1 1 1   17    5    0 o  1481.69   38.801   10.144   0.5290   9.6773   0.8553   10.432   0.6732  1441.88   64.465  1500.81   48.751 -58.93152 80.82343 
1 1 1   17    5    1 o  1833.83   34.330   15.532   0.5793   15.292   0.8303   15.759   0.8086  1815.80   49.691  1843.95   47.658 -28.14929 68.85161 
1 1 1   17    5    2 o  734.849   41.225   2.5087   0.2776   2.5752   0.4131   2.4539   0.3749  740.326   61.187  723.622   56.764 16.70441 83.46280 
1 1 1   17    5    3 o  690.212   42.607   2.2186   0.2693   1.7297   0.3843   2.6900   0.3774  602.338   70.687  757.522   54.507 -155.1841 89.26134 
1 1 1   17    5    4 o  492.744   50.315   1.1440   0.2249   0.8398   0.3157   1.4579   0.3206  411.811   86.074  553.159   64.180 -141.3482 107.3674 
1 1 1   17    5    5 o  1220.86   40.856   6.9340   0.4590   6.6522   0.5796   7.4078   0.7516  1191.36   52.871  1249.48   65.600 -58.11975 84.25385 
1 1 1   17    5    6 o  197.965   77.195   0.1253   0.2029  -0.2369   0.2462   0.8929   0.3584  149.777   70.321  418.223   95.249 -268.4454 118.3952 
1 1 1   17    5    7 o  439.991   61.472   0.9380   0.2421   0.9610   0.3356   0.9131   0.3495  435.422   86.810  421.739   92.602 13.68259 126.9298 
1 1 1   17    5    8 o  776.777   54.968   2.8790   0.3904   2.9930   0.4648   2.6062   0.7191  786.700   64.785  698.352  115.969 88.34790 132.8381 
1 1 1   17    5    9 o  677.114   50.867   2.1846   0.3146   2.0814   0.4355   2.2973   0.4550  648.477   74.319  681.997   73.682 -33.51965 104.6536 
1 1 1   17    5   10 o  890.124   47.543   3.7560   0.3880   3.5090   0.5257   4.0516   0.5751  847.385   67.987  909.925   69.203 -62.53937 97.01198 
1 1 1   17    5   11 o  249.865   92.919   0.2724   0.2853   0.5340   0.4683   0.1180   0.3598  325.483  119.397  234.824   98.565 90.65909 154.8245 
1 1 1   17    5   12 o  927.534   46.742   4.0753   0.3977   4.6431   0.5445   3.4266   0.5821  980.743   60.638  830.041   77.091 150.7024 98.08142 
1 1 1   17    5   13 o  423.913   77.711   0.9085   0.2920   1.4124   0.4035   0.3548   0.4230  525.973   86.371  288.420  111.735 237.5529 141.2255 
1 1 1   17    5   14 o  1083.77   47.196   5.5375   0.4707   5.9216   0.6259   5.0374   0.7141  1109.93   61.520  1010.97   77.348 98.96008 98.83028 
1 1 1   17    5   15 o  316.015   95.582   0.5150   0.3016   0.6093   0.4070   0.4000   0.4493  341.502  112.086  302.373  115.673 39.12888 161.0697 
1 1 1   17    5   16 o  370.836  106.668   0.7390   0.3835   0.6967   0.4431   0.8654   0.7657  359.617  116.901  396.928  151.211 -37.31152 191.1295 
1 1 1   17    5   17 o  227.837   97.121   0.0832   0.3584  -0.0561   0.5141   0.2148   0.5000  245.019  109.923  275.497  115.942 -30.47804 159.7671 
1 1 1   17    5   18 o  216.019   95.208   0.0086   0.3686  -0.3144   0.4713   0.5178   0.5917  206.301   96.999  321.744  129.744 -115.4427 161.9951 
1 1 1   17    5   19 o  1011.90   71.648   5.2417   0.6628   5.9144   0.7762   3.4310   1.2735  1062.05   80.018  598.512  198.370 463.5328 213.9010 
1 1 1   17    5   20 o  349.900  128.497   0.8830   0.5426   0.6859   0.6394   1.3898   1.0256  315.836  131.895  372.057  161.484 -56.22079 208.5026 
1 1 1   17    7    0 o  1544.06   34.182   11.016   0.4857   11.757   0.7097   10.363   0.6660  1591.78   48.457  1494.45   48.430 97.32971 68.50957 
1 1 1   17    7    1 o  682.147   40.695   2.1631   0.2543   2.4082   0.3858   1.9747   0.3381  716.001   59.078  648.331   57.267 67.66980 82.27837 
1 1 1   17    7    2 o  852.339   37.263   3.3643   0.2923   3.1917   0.4255   3.5184   0.4021  824.891   56.401  867.853   50.569 -42.96185 75.75175 
1 1 1   17    7    3 f  620.916   44.995   1.8025   0.2553   1.9896   0.3650   1.6233   0.3573  648.048   61.972  583.060   67.861 64.98792 91.89991 
1 1 1   17    7    4 o  449.247   55.161   0.9600   0.2232   0.7741   0.2919   1.2221   0.3465  394.799   82.975  500.516   77.768 -105.7176 113.7226 
1 1 1   17    7    5 o  1189.85   36.903   6.5809   0.4040   6.7682   0.5725   6.3951   0.5703  1200.70   51.816  1166.53   53.130 34.16333 74.21405 
1 1 1   17    7    6 f  411.131   61.393   0.8194   0.2251   0.7913   0.3118   0.8501   0.3254  394.412   88.140  408.738   89.036 -14.32587 125.2834 
1 1 1   17    7    7 o  329.487   77.152   0.5490   0.2298   0.5131   0.3106   0.5925   0.3416  316.402   97.251  337.536  101.636 -21.13446 140.6681 
1 1 1   17    7    8 o  390.253   70.905   0.7597   0.2452   0.3188   0.3374   1.2537   0.3571  269.901  100.907  499.042   80.508 -229.1415 129.0879 
1 1 1   17    7    9 o  396.921   86.505   0.8149   0.3070   0.9776   0.3667   0.4335   0.5615  431.288   94.966  318.584  127.117 112.7044 158.6735 
1 1 1   17    7   10 o  172.040   74.647  -0.0052   0.2190   0.0326   0.2837  -0.0611   0.3446  200.388   85.934  204.037   90.872 -3.648621 125.0696 
1 1 1   17    7   11 o  375.676   78.220   0.7203   0.2616   0.8826   0.3547   0.5266   0.3874  408.020   96.058  318.803  109.426 89.21658 145.6065 
1 1 1   17    7   12 o  412.594   89.149   0.8864   0.3286   1.2056   0.5052   0.6523   0.4326  465.068  117.891  348.112  115.623 116.9558 165.1271 
1 1 1   17    7   13 o  835.498   50.661   3.3193   0.3876   2.9661   0.4936   3.8877   0.6262  778.510   69.637  885.801   77.610 -107.2906 104.2720 
1 1 1   17    7   14 o  353.048   89.922   0.6462   0.2929   0.9372   0.3937   0.2853   0.4384  420.401  102.664  280.593  112.196 139.8073 152.0784 
1 1 1   17    7   15 o  470.200   80.300   1.1128   0.3350   1.1400   0.4424   1.0763   0.5127  462.375  106.215  440.638  122.193 21.73773 161.9032 
1 1 1   17    7   16 o  303.557  105.314   0.4637   0.3593   1.1469   0.5806   0.0395   0.4575  445.553  132.131  246.035  107.309 199.5185 170.2168 
1 1 1   17    7   17 o  281.026  103.682   0.3796   0.3539  -0.0700   0.4569   1.0538   0.5595  229.755  103.307  421.319  130.697 -191.5635 166.5954 
1 1 1   17    7   18 o  404.919  104.981   0.9333   0.3944   0.8598   0.5098   1.0430   0.6225  375.423  125.548  401.562  138.650 -26.13943 187.0459 
1 1 1   17    7   19 o  495.064  115.658   1.5064   0.5174   1.4288   0.5973   1.7395   1.0352  458.496  133.484  431.129  172.399 27.36685 218.0353 
1 1 1   17    7   20 o  296.951  129.230   0.5638   0.6603   0.5638   0.6603   0.0000   0.0000  296.951  129.230  ?   ?  0.000000 129.2302 
1 1 1   17    9    0 o  623.155   43.158   1.8105   0.2459   1.6990   0.3335   1.9434   0.3642  599.494   61.321  641.237   62.513 -41.74231 87.56756 
1 1 1   17    9    1 o  236.994   68.091   0.2709   0.1563   0.6646   0.2567   0.0386   0.1971  367.785   78.249  176.328   73.402 191.4562 107.2883 
1 1 1   17    9    2 o  420.814   46.918   0.8349   0.1786   0.8480   0.2767   0.8255   0.2338  416.840   74.896  414.408   63.319 2.432617 98.07523 
1 1 1   17    9    3 f  967.841   35.402   4.3454   0.3153   4.4662   0.4552   4.2341   0.4371  975.675   50.880  950.172   50.171 25.50275 71.45522 
1 1 1   17    9    4 o  233.085   71.785   0.2610   0.1691   0.7377   0.2612  -0.0833   0.2219  385.930   76.247  161.613   72.383 224.3178 105.1330 
1 1 1   17    9    5 o  253.410   75.746   0.3156   0.1902   0.5933   0.2711   0.0462   0.2670  341.682   86.226  200.329   84.539 141.3534 120.7554 
1 1 1   17    9    6 o  896.243   39.352   3.7528   0.3245   3.6555   0.4221   3.8934   0.5075  877.914   52.498  901.140   61.567 -23.22607 80.91112 
1 1 1   17    9    7 o  164.111   70.793  -0.0011   0.1947   0.0215   0.2474  -0.0379   0.3154  187.788   80.386  199.758   88.054 -11.96977 119.2283 
1 1 1   17    9    8 f  809.589   42.558   3.0884   0.3159   3.0920   0.4031   3.0826   0.5087  803.883   54.821  792.906   70.454 10.97723 89.26997 
1 1 1   17    9    9 o  374.342   85.818   0.7266   0.2893   0.7787   0.3318   0.5614   0.5905  383.914   94.560  340.162  131.952 43.75198 162.3356 
1 1 1   17    9   10 o  298.132   85.754   0.4595   0.2479   0.1839   0.2983   1.0743   0.4455  232.765   92.717  443.141  109.817 -210.3758 143.7228 
1 1 1   17    9   11 o  875.028   46.237   3.6262   0.3710   3.5421   0.4727   3.7610   0.5985  856.264   60.388  871.096   75.405 -14.83228 96.60562 
1 1 1   17    9   12 o  1135.70   50.479   6.1174   0.5275   6.3133   0.7531   5.9287   0.7392  1133.92   72.555  1097.72   73.605 36.20105 103.3535 
1 1 1   17    9   13 o  860.120   50.063   3.5107   0.3945   3.7179   0.5096   3.2007   0.6233  877.183   63.566  797.782   86.276 79.40112 107.1645 
1 1 1   17    9   14 o  354.615   91.871   0.6541   0.3022   0.7775   0.3855   0.4574   0.4867  381.712  105.989  316.901  120.596 64.81137 160.5520 
1 1 1   17    9   15 o  234.386   96.837   0.1367   0.3394   0.0107   0.4809   0.2618   0.4792  248.613  109.183  282.596  115.714 -33.98312 159.0933 
1 1 1   17    9   16 o  665.923   67.545   2.1789   0.4082   1.6677   0.5196   3.0026   0.6596  557.464  105.153  759.313   96.586 -201.8493 142.7792 
1 1 1   17    9   17 o  657.249   82.949   2.2241   0.4905   2.1819   0.5773   2.3337   0.9300  634.222  102.412  582.148  165.685 52.07440 194.7810 
1 1 1   17    9   18 o  778.268   87.209   3.2264   0.6138   3.5184   0.6495   0.7837   1.8781  811.449   88.412  374.730  180.900 436.7188 201.3495 
1 1 1   17    9   19 o  261.962  104.961   0.3509   0.3845   0.1221   0.5053   0.6657   0.5927  244.369  109.352  318.672  129.380 -74.30310 169.4024 
1 1 1   17    9   20 o  264.459  110.144   0.3998   0.4442   0.5865   0.6070   0.1844   0.6518  293.132  125.704  255.570  118.098 37.56213 172.4781 
1 1 1   17   11    0 f  326.455  111.877   0.4993   0.4049   0.5092   0.5569   0.4881   0.5899  346.458  129.618  347.315  132.620 -0.8574219 185.4422 
1 1 1   17   11    1 o  1281.65   40.840   7.6399   0.4816   7.7952   0.5341   6.9634   1.1145  1293.17   44.885  1186.17  103.132 107.0051 112.4758 
1 1 1   17   11    2 o  578.979   51.889   1.5841   0.2735   1.5340   0.2936   1.9123   0.7515  568.158   56.935  594.155  139.793 -25.99695 150.9429 
1 1 1   17   11    3 f  1462.78   28.622   9.9100   0.3852   10.017   0.4901   9.7377   0.6232  1467.67   36.289  1441.95   46.973 25.72241 59.35771 
1 1 1   17   11    4 o  217.703   68.843   0.2260   0.1544   0.0551   0.1998   0.4799   0.2435  179.142   74.172  307.987   83.724 -128.8448 111.8534 
1 1 1   17   11    5 o  1035.71   34.082   4.9934   0.3248   5.2870   0.4163   4.5364   0.5194  1062.26   42.586  974.830   58.165 87.42877 72.08826 
1 1 1   17   11    6 o  244.343   77.118   0.2928   0.1939   0.4711   0.2466   0.0040   0.3138  303.188   84.969  205.677   89.296 97.51033 123.2621 
1 1 1   17   11    7 o  709.299   43.322   2.3742   0.2814   2.2926   0.3484   2.5273   0.4772  691.594   55.209  715.624   73.516 -24.03003 91.93866 
1 1 1   17   11    8 o  509.720   56.126   1.2544   0.2589   1.5492   0.3401   0.8485   0.3991  561.694   67.140  395.330  107.076 166.3644 126.3844 
1 1 1   17   11    9 o  388.302   74.372   0.7615   0.2561   0.6751   0.3255   0.9017   0.4147  356.399   96.763  406.224  108.784 -49.82568 145.5916 
1 1 1   17   11   10 o  546.659   77.067   1.4990   0.3769   1.3526   0.4298   1.9862   0.7840  508.036   95.452  572.871  147.760 -64.83536 175.9095 
1 1 1   17   11   11 o  1546.81   40.329   11.229   0.5740   11.392   0.7336   10.971   0.9217  1548.44   51.490  1503.58   66.618 44.85620 84.19741 
1 1 1   17   11   12 o  1205.46   58.875   6.9558   0.6531   6.7557   0.7892   7.3904   1.1630  1173.54   73.455  1186.80  107.671 -13.26025 130.3405 
1 1 1   17   11   13 o  241.271   95.358   0.2013   0.3132   0.3707   0.3669  -0.2540   0.6016  285.706  105.541  248.478  114.332 37.22847 155.5975 
1 1 1   17   11   14 o  473.732   87.833   1.1482   0.3688   1.2087   0.5452   1.0970   0.5007  465.007  124.801  445.720  119.598 19.28699 172.8560 
1 1 1   17   11   15 o  257.309   95.334   0.2934   0.2998   0.2859   0.4093   0.3021   0.4403  273.507  108.719  281.204  112.441 -7.697205 156.4058 
1 1 1   17   11   16 f  1060.98   50.404   5.3676   0.4921   5.7671   0.6993   4.9758   0.6925  1079.69   70.785  997.270   76.040 82.41699 103.8873 
1 1 1   17   11   17 o  255.546  103.700   0.2554   0.3806  -0.1784   0.4668   1.1156   0.6573  216.504  100.007  411.873  142.463 -195.3691 174.0609 
1 1 1   17   11   18 o  216.605   94.909   0.0668   0.3615  -0.1939   0.4957   0.3630   0.5284  215.661  100.784  281.595  118.883 -65.93356 155.8544 
1 1 1   17   11   19 o  263.914  106.570   0.3822   0.3998   0.3226   0.5402   0.4545   0.5946  265.583  116.198  284.185  123.150 -18.60156 169.3158 
1 1 1   17   13    0 o  444.523  114.470   1.0358   0.4711   0.7004   0.6261   1.4735   0.7151  379.983  138.257  516.479  144.690 -136.4962 200.1257 
1 1 1   17   13    1 f  547.416  112.511   1.5640   0.5478   1.9118   0.7848   1.2335   0.7650  584.919  146.215  469.648  153.648 115.2713 212.1004 
1 1 1   17   13    2 o  527.778   52.636   1.3252   0.2522   1.1296   0.2631   3.5459   0.8865  484.331   60.341  820.591  121.034 -336.2599 135.2417 
1 1 1   17   13    3 o  352.644   54.356   0.6010   0.1707   0.5739   0.1759   1.0368   0.7059  343.434   57.721  430.344  147.703 -86.90967 158.5808 
1 1 1   17   13    4 o  713.119   34.645   2.3693   0.2273   2.1895   0.2787   2.7268   0.3930  681.340   44.701  755.111   56.979 -73.77112 72.42108 
1 1 1   17   13    5 o  157.399   66.132   0.0286   0.1623   0.1006   0.2016  -0.1039   0.2735  189.427   75.957  176.184   79.506 13.24326 109.9578 
1 1 1   17   13    6 o  334.478   68.327   0.5602   0.2032   0.3909   0.2537   0.8633   0.3394  278.352   88.250  406.075   92.858 -127.7228 128.1041 
1 1 1   17   13    7 o  276.066   81.131   0.3880   0.2197   0.4620   0.2746   0.2563   0.3665  299.120   91.355  260.949  103.142 38.17059 137.7827 
1 1 1   17   13    8 o  444.364   75.252   0.9933   0.2967   1.0485   0.3221   0.6835   0.7627  454.453   79.942  368.986  147.824 85.46692 168.0557 
1 1 1   17   13    9 o  259.196   88.367   0.3266   0.2526   0.4708   0.2990  -0.0331   0.4722  301.643   95.834  239.803  106.614 61.83946 143.3552 
1 1 1   17   13   10 o  290.293   93.134   0.4306   0.2819   0.6574   0.3621   0.0821   0.4490  349.937  104.484  249.397  107.545 100.5400 149.9426 
1 1 1   17   13   11 o  497.221   63.424   1.2077   0.2836   1.3922   0.3894   0.9995   0.4137  523.959   83.586  431.097  105.218 92.86151 134.3781 
1 1 1   17   13   12 o  502.762   66.105   1.2366   0.2984   1.2938   0.4119   1.1734   0.4329  500.980   92.763  471.017  102.776 29.96234 138.4480 
1 1 1   17   13   13 o  505.720  105.466   1.3567   0.4749   1.8580   0.9568   1.1928   0.5470  538.864  171.452  461.728  125.477 77.13519 212.4624 
1 1 1   17   13   14 o  752.850   54.720   2.7136   0.3765   3.0916   0.5346   2.3416   0.5303  791.245   74.291  679.477   86.802 111.7680 114.2528 
1 1 1   17   13   15 o  682.709   62.892   2.2759   0.3907   2.0087   0.5295   2.5948   0.5787  618.283   96.205  708.333   90.875 -90.05017 132.3395 
1 1 1   17   13   16 o  599.626   77.839   1.8395   0.4193   1.6275   0.5312   2.1900   0.6832  536.752  111.209  609.420  125.988 -72.66803 168.0487 
1 1 1   17   13   17 o  505.929   86.447   1.3794   0.3880   1.7260   0.5538   1.0454   0.5437  537.898  115.354  400.620  129.437 137.2777 173.3802 
1 1 1   17   13   18 o  582.344   83.593   1.8628   0.4351   2.2887   0.6150   1.4360   0.6156  606.480  114.401  442.358  137.079 164.1214 178.5452 
1 1 1   17   13   19 o  392.166  114.496   1.0579   0.4389   1.1823   0.6358   0.9445   0.6066  371.228  138.577  338.931  133.101 32.29694 192.1449 
1 1 1   17   15    0 f  1189.24   77.599   6.8975   0.8445   6.9336   1.1760   6.8591   1.2135  1158.29  111.724  1146.45  116.658 11.83057 161.5286 
1 1 1   17   15    1 o  339.147  121.168   0.5703   0.4782   1.2256   0.7353   0.0898   0.6296  460.662  150.639  289.985  126.193 170.6766 196.5112 
1 1 1   17   15    2 o  558.622  121.026   1.6992   0.6041   0.5988   0.7392   3.9120   1.0483  364.135  145.657  833.683  141.725 -469.5476 203.2291 
1 1 1   17   15    3 o  281.233   65.597   0.3953   0.1666   0.4153   0.1700  -0.0953   0.8415  288.368   65.554  304.271  138.172 -15.90286 152.9339 
1 1 1   17   15    4 o  600.548   46.415   1.7098   0.2545   1.7780   0.2672   1.0452   0.8344  611.913   47.842  423.683  158.637 188.2299 165.6937 
1 1 1   17   15    5 f  122.105   56.543  -0.1156   0.1506   0.2255   0.2022  -0.5399   0.2256  223.479   78.906  112.024   55.732 111.4558 96.60403 
1 1 1   17   15    6 o  608.119   40.227   1.7421   0.2238   1.8932   0.3133   1.5844   0.3199  627.992   54.762  570.794   61.901 57.19806 82.64749 
1 1 1   17   15    7 o  503.069   48.999   1.2093   0.2239   1.3032   0.3072   1.1026   0.3272  514.807   66.390  466.816   78.987 47.99036 103.1824 
1 1 1   17   15    8 o  275.391   79.403   0.3868   0.2123   0.3030   0.2800   0.5001   0.3256  256.424   92.581  310.089  100.162 -53.66464 136.3952 
1 1 1   17   15    9 o  363.402   72.894   0.6665   0.2353   0.3156   0.3068   1.1674   0.3665  263.458   96.644  476.501   86.794 -213.0432 129.8976 
1 1 1   17   15   10 f  411.908   75.682   0.8544   0.2763   0.9571   0.3715   0.7274   0.4133  425.997   96.956  366.437  112.108 59.55991 148.2184 
1 1 1   17   15   11 o  660.242   61.614   2.1058   0.3700   1.7673   0.5495   2.3864   0.5004  577.680  107.334  692.388   80.018 -114.7084 133.8783 
1 1 1   17   15   12 f  394.524   93.270   0.8122   0.3333   1.1339   0.5255   0.5958   0.4310  451.319  123.123  338.679  115.427 112.6397 168.7678 
1 1 1   17   15   13 o  726.429   69.617   2.5867   0.4596   2.8430   0.6630   2.3495   0.6378  739.056  100.062  664.929  107.948 74.12695 147.1912 
1 1 1   17   15   14 o  400.969   90.582   0.8469   0.3263   0.7443   0.4322   0.9830   0.4977  366.167  115.086  414.645  122.170 -48.47766 167.8400 
1 1 1   17   15   15 o  465.228   91.704   1.1547   0.3786   0.8441   0.4667   1.7525   0.6476  380.335  119.599  538.988  131.696 -158.6530 177.8978 
1 1 1   17   15   16 o  414.488   97.440   0.9646   0.3654   0.7771   0.4867   1.2068   0.5531  355.657  122.611  434.895  128.962 -79.23819 177.9453 
1 1 1   17   15   17 o  357.825  108.372   0.7932   0.3876   1.0292   0.5461   0.5537   0.5501  384.334  129.929  304.335  124.225 79.99979 179.7596 
1 1 1   17   15   18 o  310.782  111.799   0.6483   0.4078   1.2836   0.5849   0.0474   0.5688  404.726  134.448  237.153  109.846 167.5733 173.6157 
1 1 1   17   17    0 o  931.507   41.748   4.0658   0.3578   4.1582   0.3776   3.2516   1.1208  941.262   43.596  726.900  170.517 214.3618 176.0015 
1 1 1   17   17    1 o  691.254  119.363   2.5798   0.7318   3.0247   1.0399   2.1434   1.0300  705.435  163.404  574.568  177.191 130.8669 241.0346 
1 1 1   17   17    2 o  1134.16   42.171   6.0368   0.4401   6.0296   0.4677   6.0930   1.2996  1131.98   44.905  1039.15  139.435 92.82825 146.4876 
1 1 1   17   17    3 o  219.401   67.680   0.2348   0.1503   0.2440   0.1835   0.2162   0.2618  226.532   75.308  232.900   88.488 -6.368500 116.1956 
1 1 1   17   17    4 o  179.300   71.188   0.0955   0.1753   0.0924   0.2138   0.1020   0.3062  190.992   77.646  219.443   91.425 -28.45134 119.9477 
1 1 1   17   17    5 o  511.138   50.272   1.2497   0.2334   1.3172   0.2845   1.1105   0.4082  520.586   60.514  457.410   99.791 63.17563 116.7058 
1 1 1   17   17    6 o  462.656   59.666   1.0424   0.2481   1.1975   0.3034   0.7296   0.4310  492.069   68.895  365.340  114.945 126.7291 134.0104 
1 1 1   17   17    7 o  747.435   46.428   2.6481   0.3177   2.7707   0.3862   2.3911   0.5591  759.823   55.619  682.455   91.318 77.36829 106.9230 
1 1 1   17   17    8 o  932.274   39.649   4.0748   0.3401   3.6848   0.4541   4.5733   0.5134  876.486   56.605  976.242   57.401 -99.75574 80.61657 
1 1 1   17   17    9 o  494.838   61.418   1.1911   0.2736   1.2110   0.3701   1.1671   0.4064  487.271   85.675  472.069   96.808 15.20157 129.2752 
1 1 1   17   17   10 o  1352.75   42.085   8.5845   0.5239   9.7129   0.8144   7.7881   0.6842  1422.78   62.206  1277.30   58.212 145.4840 85.19566 
1 1 1   17   17   11 o  259.854  100.466   0.2670   0.3414  -0.1860   0.4294   1.0454   0.5629  213.733   97.694  429.798  130.702 -216.0651 163.1777 
1 1 1   17   17   12 o  622.022   60.506   1.8735   0.3419   2.3115   0.4843   1.4381   0.4829  680.314   78.820  519.286  104.668 161.0277 131.0268 
1 1 1   17   17   13 o  407.676  107.448   0.9149   0.4088   0.5350   0.5966   1.2509   0.5612  333.151  131.623  463.724  127.534 -130.5728 183.2744 
1 1 1   17   17   14 o  219.682   94.937   0.0578   0.3514  -0.1125   0.4416   0.3517   0.5802  219.615   99.872  299.863  125.466 -80.24741 160.3626 
1 1 1   17   17   15 o  330.083  100.953   0.6193   0.3351   0.8737   0.4648   0.3436   0.4837  378.175  119.408  280.567  115.730 97.60800 166.2886 
1 1 1   17   17   16 o  578.713   80.774   1.7995   0.4184   1.9251   0.5742   1.6573   0.6109  559.629  115.350  495.619  131.702 64.01010 175.0742 
1 1 1   17   17   17 o  349.622  110.967   0.8131   0.4010   0.7121   0.5625   0.9174   0.5717  314.300  126.587  345.322  130.871 -31.02252 182.0756 
1 1 1   17   19    0 o  308.251   63.249   0.4713   0.1734   0.4014   0.2082   0.6296   0.3133  281.510   77.778  346.928   95.252 -65.41846 122.9724 
1 1 1   17   19    1 o  575.101   41.687   1.5592   0.2191   1.6255   0.2837   1.4613   0.3448  582.815   53.506  544.756   70.445 38.05896 88.46178 
1 1 1   17   19    2 o  787.082   40.208   2.9108   0.2902   2.8907   0.3942   2.9346   0.4289  777.124   55.490  780.379   60.193 -3.255310 81.86806 
1 1 1   17   19    3 o  508.080   44.762   1.2245   0.2071   1.1156   0.2479   1.4763   0.3769  480.206   57.235  543.140   77.631 -62.93344 96.44862 
1 1 1   17   19    4 o  190.724   73.360   0.1305   0.1813   0.1548   0.2147   0.0699   0.3387  206.414   79.702  222.251   94.567 -15.83690 123.6744 
1 1 1   17   19    5 o  772.383   42.569   2.8129   0.3014   3.0001   0.3663   2.4207   0.5302  793.943   50.405  691.892   85.063 102.0514 98.87539 
1 1 1   17   19    6 o  691.267   48.988   2.2718   0.3096   1.8047   0.3626   3.5291   0.5948  607.733   65.890  843.250   77.525 -235.5166 101.7430 
1 1 1   17   19    7 o  190.287   81.143   0.0316   0.2504   0.4019   0.2965  -0.8886   0.4674  284.408   95.740  169.556   83.608 114.8517 127.1080 
1 1 1   17   19    8 o  891.282   51.067   3.7725   0.4171   3.6985   0.5122   3.9180   0.7186  874.724   64.079  880.535   89.947 -5.810730 110.4380 
1 1 1   17   19    9 o  231.317   93.237   0.1614   0.3054  -0.0020   0.3731   0.4933   0.5318  221.424   96.732  327.238  125.690 -105.8141 158.6037 
1 1 1   17   19   10 f  889.022   51.839   3.7598   0.4222   3.5985   0.5152   4.0896   0.7368  861.336   65.496  898.446   90.347 -37.11035 111.5899 
1 1 1   17   19   11 o  516.220   90.320   1.3775   0.4134   0.9895   0.5090   2.1291   0.7085  417.994  123.668  612.161  129.802 -194.1673 179.2827 
1 1 1   17   19   12 o  232.479   94.852   0.1649   0.3205   0.0688   0.4031   0.3300   0.5285  235.458  101.719  294.858  121.222 -59.40097 158.2450 
1 1 1   17   19   13 o  355.679  122.256   0.7352   0.4837   0.5902   0.6155   0.9693   0.7821  334.189  133.168  390.195  151.723 -56.00558 201.8750 
1 1 1   17   19   14 o  178.088   82.342  -0.1599   0.3176  -0.0345   0.4312  -0.3085   0.4695  221.476   99.899  203.154   95.914 18.32137 138.4899 
1 1 1   17   19   15 o  298.658  106.834   0.5287   0.3719   1.0448   0.5375   0.0547   0.5151  389.862  128.850  240.373  108.734 149.4889 168.5988 
1 1 1   17   19   16 o  380.331  109.568   0.9470   0.4044   1.0705   0.5788   0.8292   0.5651  369.760  133.178  331.581  128.957 38.17911 185.3813 
1 1 1   17   21    0 o  748.904   43.596   2.6433   0.2991   2.3833   0.3772   3.0837   0.4910  704.184   58.749  796.234   67.658 -92.05011 89.60502 
1 1 1   17   21    1 o  1072.21   39.324   5.3821   0.3880   5.0859   0.5148   5.7717   0.5903  1032.93   54.349  1097.42   58.671 -64.48242 79.97597 
1 1 1   17   21    2 o  464.236   65.577   1.0576   0.2723   0.8272   0.3772   1.3085   0.3936  393.440  102.987  505.906   87.727 -112.4668 135.2859 
1 1 1   17   21    3 o  260.849   91.869   0.3197   0.2740   0.9405   0.4136  -0.1658   0.3657  417.632  107.107  197.770   90.303 219.8628 140.0949 
1 1 1   17   21    4 o  934.843   48.251   4.1382   0.4136   4.1085   0.5833   4.1682   0.5867  917.631   69.598  924.397   69.480 -6.765930 98.34341 
1 1 1   17   21    5 o  434.737   69.281   0.9352   0.2678   0.6944   0.3180   1.5234   0.4970  364.007   94.205  536.897  104.357 -172.8903 140.5880 
1 1 1   17   21    6 o  544.566   64.497   1.4435   0.3169   1.4500   0.3934   1.4313   0.5348  537.041   82.228  513.292  115.974 23.74890 142.1665 
1 1 1   17   21    7 o  577.377   65.823   1.6241   0.3435   1.3999   0.4267   2.0365   0.5787  522.042   92.203  623.360  104.604 -101.3185 139.4394 
1 1 1   17   21    8 o  447.472   80.095   1.0111   0.3177   1.1030   0.3845   0.8135   0.5640  460.735   93.875  384.776  132.027 75.95898 161.9991 
1 1 1   17   21    9 o  273.919   95.737   0.3621   0.2972   0.3294   0.3480   0.4505   0.5716  272.830  102.383  322.396  128.372 -49.56589 164.2001 
1 1 1   17   21   10 o  195.404   87.069  -0.0595   0.3167  -0.0392   0.3894  -0.0990   0.5445  218.423   96.978  247.292  111.835 -28.86839 148.0262 
1 1 1   17   21   11 o  410.206  111.988   0.9515   0.4346   0.7619   0.5039   1.5014   0.8583  364.472  124.806  469.390  162.773 -104.9182 205.1136 
1 1 1   17   21   12 o  283.040  104.243   0.4092   0.3575   0.5815   0.4335   0.0432   0.6319  322.437  115.346  268.828  121.126 53.60873 167.2605 
1 1 1   17   21   13 o  502.622  124.871   1.5843   0.5750   1.8198   0.6819   1.0051   1.0693  520.866  139.490  370.792  162.826 150.0740 214.4052 
1 1 1   17   21   14 o  780.773   72.702   3.1991   0.5163   3.3102   0.6398   2.9916   0.8743  766.421   92.596  635.041  151.706 131.3804 177.7319 
1 1 1   17   21   15 o  745.591   69.158   2.9519   0.4691   3.4359   0.6731   2.4950   0.6541  755.195   99.265  609.753  120.843 145.4410 156.3865 
1 1 1   17   21   16 f  589.910  156.887   3.1392   0.8664   1.9590   1.2512   4.2265   1.2009  349.070  162.114  569.442  192.676 -220.3721 251.8036 
1 1 1   17   23    0 o  434.317   69.626   0.9307   0.2689   0.8822   0.3271   1.0318   0.4720  414.661   88.432  435.994  115.719 -21.33286 145.6403 
1 1 1   17   23    1 o  272.903   90.194   0.3647   0.2633   0.2668   0.3288   0.5399   0.4398  258.406   98.934  328.804  116.330 -70.39804 152.7110 
1 1 1   17   23    2 o  219.584   90.311   0.1141   0.2935   0.1055   0.3930   0.1251   0.4413  242.930  102.544  256.596  108.502 -13.66565 149.2910 
1 1 1   17   23    3 o  304.073  100.738   0.4642   0.3284   0.2725   0.4856   0.6259   0.4459  287.070  116.893  347.014  117.411 -59.94452 165.6780 
1 1 1   17   23    4 f  346.232  103.332   0.6294   0.3542   0.4961   0.5601   0.7183   0.4573  331.858  128.577  366.715  118.732 -34.85693 175.0128 
1 1 1   17   23    5 o  692.007   71.517   2.3456   0.4488   2.1546   0.6900   2.4857   0.5909  627.221  123.949  697.561   94.493 -70.33978 155.8602 
1 1 1   17   23    6 o  218.448   88.286   0.1364   0.2746   0.2115   0.3253  -0.0498   0.5124  245.520   97.133  248.764  110.801 -3.243317 147.3494 
1 1 1   17   23    7 o  1186.47   45.215   6.6349   0.4936   6.6382   0.6106   6.6287   0.8387  1179.06   56.282  1155.50   79.358 23.56567 97.28998 
1 1 1   17   23    8 o  428.142   90.703   0.9601   0.3462   1.0680   0.4202   0.7318   0.6110  443.965  104.580  366.192  136.014 77.77325 171.5718 
1 1 1   17   23    9 o  267.164  102.820   0.3125   0.3563   0.3917   0.4116   0.0756   0.7121  289.574  110.728  290.521  129.920 -0.9470825 170.7041 
1 1 1   17   23   10 o  442.783  111.793   1.1231   0.4556   1.0114   0.5339   1.4222   0.8737  407.951  127.859  447.283  163.237 -39.33221 207.3504 
1 1 1   17   23   11 o  799.606   67.758   3.2182   0.4939   4.0660   0.6157   1.6889   0.8270  889.749   75.930  476.063  159.898 413.6865 177.0099 
1 1 1   17   23   12 o  291.771  109.646   0.4845   0.3993   0.9167   0.4903  -0.3679   0.6884  374.587  123.028  235.324  112.531 139.2632 166.7306 
1 1 1   17   23   13 o  263.089  116.007   0.2829   0.5479   0.0386   0.6205   1.1481   1.1676  247.214  114.583  345.758  159.159 -98.54411 196.1145 
1 1 1   17   23   14 o  599.013   97.447   2.1779   0.5187   2.6627   0.6485   1.3179   0.8639  633.665  115.483  353.691  150.771 279.9735 189.9171 
1 1 1   17   25    0 o  174.642   79.753  -0.1516   0.2854  -0.6136   0.3412   0.9240   0.5206  149.836   73.389  411.340  125.827 -261.5042 145.6658 
1 1 1   17   25    1 o  436.606   90.176   0.9774   0.3503   0.3319   0.4459   2.0178   0.5661  290.987  114.166  624.414  102.047 -333.4275 153.1257 
1 1 1   17   25    2 o  922.379   56.425   4.0589   0.4766   3.4848   0.6427   4.7604   0.7104  835.997   84.718  982.676   79.240 -146.6796 116.0005 
1 1 1   17   25    3 o  686.679   68.753   2.3006   0.4286   2.5533   0.6036   2.0436   0.6087  706.198   95.318  620.113  110.736 86.08496 146.1100 
1 1 1   17   25    4 o  848.019   62.964   3.4764   0.4878   3.0463   0.6831   3.9239   0.6968  767.194   99.082  882.609   86.930 -115.4149 131.8108 
1 1 1   17   25    5 o  226.957   97.866   0.0481   0.3718   0.2756   0.5484  -0.1454   0.5057  293.670  122.354  235.450  106.996 58.21979 162.5380 
1 1 1   17   25    6 o  323.188  109.969   0.5522   0.3912   0.0084   0.5561   1.0850   0.5504  260.476  115.760  431.515  128.809 -171.0388 173.1823 
1 1 1   17   25    7 o  215.372   97.609  -0.1091   0.4173  -1.0536   0.5309   1.4186   0.6752  175.105   86.843  476.644  142.747 -301.5393 167.0883 
1 1 1   17   25    8 o  455.646   93.394   1.1194   0.3784   1.1456   0.4275   1.0246   0.8137  452.713  104.700  396.108  154.551 56.60449 186.6770 
1 1 1   17   25    9 o  510.112   92.104   1.4134   0.4164   1.1281   0.4996   2.0630   0.7538  429.382  121.163  556.282  145.574 -126.8995 189.3994 
1 1 1   17   25   10 o  221.656   99.240   0.0163   0.4168   0.1107   0.5304  -0.1360   0.6737  251.921  112.433  250.501  117.202 1.419952 162.4118 
1 1 1   17   25   11 o  554.098   91.954   1.7424   0.4524   1.8188   0.5422   1.5672   0.8209  541.489  112.487  421.165  157.414 120.3238 193.4749 
1 1 1   17   25   12 o  372.727  117.711   0.9736   0.4516   0.9850   0.5398   0.9470   0.8246  357.902  128.639  327.825  143.495 30.07623 192.7142 
1 1 1   17   25   13 o  314.787  150.053   1.2281   1.2040   1.2281   1.2040   0.0000   0.0000  314.787  150.053  ?   ?  0.000000 150.0533 
1 1 1   17   27    0 o  773.295   64.873   2.8997   0.4573   3.6713   0.5997   1.8267   0.7071  862.503   76.345  563.265  137.606 299.2383 157.3662 
1 1 1   17   27    1 o  275.046  105.532   0.3204   0.3746  -0.4568   0.4782   1.5555   0.6028  200.999   95.457  525.219  126.288 -324.2199 158.3060 
1 1 1   17   27    2 f  361.587  107.116   0.7089   0.3817   0.4459   0.5123   1.0372   0.5724  313.761  122.573  422.889  132.364 -109.1276 180.4000 
1 1 1   17   27    3 o  655.539   82.691   2.1822   0.4877   1.5427   0.6411   3.0609   0.7514  510.603  134.551  750.469  112.267 -239.8656 175.2362 
1 1 1   17   27    4 o  1490.93   56.231   10.696   0.7714   10.533   1.0072   10.927   1.1998  1452.54   75.621  1456.13   89.986 -3.583008 117.5414 
1 1 1   17   27    5 o  534.790  105.447   1.5791   0.5005   1.5142   0.6450   1.6771   0.7933  493.691  137.100  498.702  155.789 -5.011108 207.5252 
1 1 1   17   27    6 o  323.141  118.299   0.5857   0.4594   0.3482   0.6445   0.8309   0.6549  301.625  129.445  366.036  139.747 -64.41104 190.4865 
1 1 1   17   27    7 o  248.431  107.340   0.1581   0.4491   0.4198   0.6546  -0.0745   0.6171  304.788  130.620  250.969  115.595 53.81949 174.4238 
1 1 1   17   27    8 f  250.286  109.808   0.1634   0.4853   0.4158   0.6820  -0.0956   0.6909  298.674  130.622  254.446  118.931 44.22729 176.6545 
1 1 1   17   27    9 o  201.546   93.785  -0.1368   0.4221  -0.0926   0.5210  -0.2213   0.7199  224.092  104.251  242.837  115.831 -18.74492 155.8370 
1 1 1   17   27   10 o  202.441   93.703  -0.0685   0.4129   0.1316   0.5096  -0.4508   0.7044  237.858  107.825  220.949  107.617 16.90820 152.3398 
1 1 1   17   27   11 o  392.682  117.889   1.1212   0.4601   1.4422   0.5584   0.4424   0.8120  427.788  130.197  275.060  128.685 152.7284 183.0602 
1 1 1   17   29    0 o  250.125  105.064   0.1695   0.4093   0.2726   0.4857  -0.0831   0.7604  278.362  115.491  282.164  129.351 -3.800995 173.4067 
1 1 1   17   29    1 o  258.346  107.777   0.2119   0.4263  -0.0049   0.5229   0.6418   0.7364  248.238  111.148  348.752  143.199 -100.5140 181.2728 
1 1 1   17   29    2 o  366.967  118.050   0.7922   0.4526   1.3118   0.5932   0.0677   0.7004  458.155  132.914  281.458  127.103 176.6967 183.9055 
1 1 1   17   29    3 o  364.160  117.981   0.7950   0.4515   1.4109   0.6275   0.1340   0.6501  465.861  137.163  277.664  124.155 188.1963 185.0085 
1 1 1   17   29    4 o  287.787  116.361   0.4078   0.4773   0.2241   0.6406   0.6370   0.7156  281.486  124.711  332.336  139.220 -50.85013 186.9092 
1 1 1   17   29    5 o  225.286  102.845  -0.0464   0.4741   0.1895   0.7058  -0.2402   0.6399  279.807  126.862  237.134  111.963 42.67255 169.2035 
1 1 1   17   29    6 o  373.680  129.154   0.9788   0.5402   1.9958   0.8008   0.1297   0.7317  496.119  156.752  271.125  125.229 224.9944 200.6331 
1 1 1   17   29    7 o  391.454  125.889   1.0986   0.5148   1.8883   0.7771   0.4812   0.6871  466.418  154.978  290.540  128.919 175.8785 201.5896 
1 1 1   17   29    8 o  269.501  121.194   0.3771   0.6290   2.7620   1.2661  -0.4044   0.7248  426.048  182.094  223.650  108.982 202.3979 212.2157 
1 1 1   17   29    9 o  524.091  162.102   2.7184   0.8613   0.0000   0.0000   2.7184   0.8613  ?   ?   524.091  162.102 0.000000 162.1022 
1 1 1   17   31    0 o  261.591  112.236   0.2416   0.4843   0.1936   0.5876   0.3432   0.8553  268.747  119.236  306.596  139.259 -37.84967 183.3309 
1 1 1   17   31    1 f  245.300  108.751   0.1244   0.4879   0.4323   0.6490  -0.2759   0.7400  297.048  128.694  247.739  117.968 49.30887 174.5814 
1 1 1   17   31    2 o  243.193  108.759   0.1158   0.4991   0.2352   0.6359  -0.0757   0.8053  271.409  121.972  264.169  124.996 7.239441 174.6460 
1 1 1   17   31    3 o  439.978  129.999   1.3738   0.5628   1.2940   0.7560   1.4730   0.8431  388.087  149.649  399.683  156.924 -11.59583 216.8408 
1 1 1   17   31    4 o  390.768  134.150   1.1871   0.5823   1.1908   0.7888   1.1826   0.8632  360.973  148.210  353.617  150.727 7.355194 211.3875 
1 1 1   17   31    5 o  241.933  111.640   0.1212   0.5795  -1.0012   0.8144   1.2720   0.8246  208.973  104.275  355.319  149.180 -146.3453 182.0110 
1 1 1   17   31    6 o  237.706  116.054  -0.2316   0.8332  -0.2316   0.8332   0.0000   0.0000  237.706  116.054  ?   ?  0.000000 116.0543 
1 1 1   17   33    0 f  303.195  136.693   0.6906   0.8062  -0.7083   1.5911   1.1738   0.9351  272.799  137.442  339.865  150.618 -67.06625 203.9019 
1 1 1   17   33    1 o  281.289  128.325   0.4897   0.7365   1.0804   1.4366   0.2791   0.8578  313.751  153.008  270.857  128.406 42.89380 199.7483 
1 1 1   17   33    2 o  260.432  123.710   0.2175   0.8040  -1.3306   1.3063   1.1616   1.0201  237.853  120.395  321.176  148.178 -83.32312 190.9229 
1 1 1   18    0    0 o  274.927  120.453   0.5074   0.3179   0.5074   0.3179   0.5074   0.3179  274.927  120.453  274.927  120.453 0.000000 0.000000 
1 1 1   18    0    1 o  1066.23   56.780   5.3038   0.5535   5.3038   0.5535   5.3038   0.5535  1066.23   56.780  1066.23   56.780 0.000000 0.000000 
1 1 1   18    0    2 o  905.131   82.508   3.9124   0.6741   3.9124   0.6741   3.9124   0.6741  905.131   82.508  905.131   82.508 0.000000 0.000000 
1 1 1   18    0    3 o  190.331  113.944   0.1858   0.3559   0.1858   0.3559   0.1858   0.3559  190.331  113.944  190.331  113.944 0.000000 0.000000 
1 1 1   18    0    4 o  141.073   91.629  -0.0106   0.2846  -0.0106   0.2846  -0.0106   0.2846  141.073   91.629  141.073   91.629 0.000000 0.000000 
1 1 1   18    0    5 f  1804.72   74.237   15.317   1.2281   15.317   1.2281   15.317   1.2281  1804.72   74.237  1804.72   74.237 0.000000 0.000000 
1 1 1   18    0    6 o  161.944   99.172   0.1137   0.2827   0.1137   0.2827   0.1137   0.2827  161.944   99.172  161.944   99.172 0.000000 0.000000 
1 1 1   18    0    7 o  119.639   82.056  -0.1815   0.2903  -0.1815   0.2903  -0.1815   0.2903  119.639   82.056  119.639   82.056 0.000000 0.000000 
1 1 1   18    0    8 o  157.514  105.537  -0.1208   0.4268  -0.1208   0.4268  -0.1208   0.4268  157.514  105.537  157.514  105.537 0.000000 0.000000 
1 1 1   18    0    9 o  549.755  142.411   1.7410   0.6226   1.7410   0.6226   1.7410   0.6226  549.755  142.411  549.755  142.411 0.000000 0.000000 
1 1 1   18    0   10 o  397.662  117.061   0.9289   0.3722   0.9289   0.3722   0.9289   0.3722  397.662  117.061  397.662  117.061 0.000000 0.000000 
1 1 1   18    0   11 o  694.828   81.892   2.3770   0.5045   2.3770   0.5045   2.3770   0.5045  694.828   81.892  694.828   81.892 0.000000 0.000000 
1 1 1   18    0   12 o  189.547  116.908   0.1606   0.3992   0.1606   0.3992   0.1606   0.3992  189.547  116.908  189.547  116.908 0.000000 0.000000 
1 1 1   18    0   14 o  415.968  130.526   1.0387   0.4386   1.0387   0.4386   1.0387   0.4386  415.968  130.526  415.968  130.526 0.000000 0.000000 
1 1 1   18    0   15 o  1680.33   66.691   13.260   1.0275   13.260   1.0275   13.260   1.0275  1680.33   66.691  1680.33   66.691 0.000000 0.000000 
1 1 1   18    0   16 f  152.312  102.646  -0.1532   0.4148  -0.1532   0.4148  -0.1532   0.4148  152.312  102.646  152.312  102.646 0.000000 0.000000 
1 1 1   18    0   17 o  414.379  155.513   1.1382   0.5539   1.1382   0.5539   1.1382   0.5539  414.379  155.513  414.379  155.513 0.000000 0.000000 
1 1 1   18    0   18 o  510.534  197.327   1.8611   0.8802   1.8611   0.8802   1.8611   0.8802  510.534  197.327  510.534  197.327 0.000000 0.000000 
1 1 1   18    0   19 o  192.018  123.264   0.0987   0.4954   0.0987   0.4954   0.0987   0.4954  192.018  123.264  192.018  123.264 0.000000 0.000000 
1 1 1   18    0   20 o  657.445  124.552   2.3963   0.6747   2.3963   0.6747   2.3963   0.6747  657.445  124.552  657.445  124.552 0.000000 0.000000 
1 1 1   18    2    0 o  1285.92   38.653   7.6424   0.4574   7.9188   0.6626   7.3908   0.6321  1305.92   55.140  1261.77   54.444 44.14294 77.48893 
1 1 1   18    2    1 o  977.447   40.968   4.4217   0.3685   4.4205   0.5316   4.4228   0.5112  972.347   59.700  973.197   57.342 -0.8496094 82.77831 
1 1 1   18    2    2 o  662.960   56.475   2.0635   0.3412   2.0461   0.5947   2.0720   0.4166  645.448  103.640  660.969   69.548 -15.52112 124.8121 
1 1 1   18    2    3 o  515.510   60.505   1.2608   0.2816   1.4292   0.5235   1.1923   0.3340  532.951  110.372  496.991   75.397 35.96063 133.6663 
1 1 1   18    2    4 o  1571.93   37.251   11.461   0.5388   10.792   0.7657   12.117   0.7584  1518.24   54.808  1610.57   51.171 -92.33252 74.98318 
1 1 1   18    2    5 o  560.458   50.904   1.4829   0.2597   1.4876   0.3758   1.4787   0.3591  553.028   75.856  552.650   72.363 0.3779907 104.8363 
1 1 1   18    2    6 o  428.192   77.089   0.9085   0.2926   0.8706   0.3296   1.0488   0.6349  414.539   89.074  438.642  139.680 -24.10370 165.6649 
1 1 1   18    2    7 o  368.584   82.946   0.6899   0.2745   0.7695   0.3322   0.5184   0.4875  385.502   94.406  330.513  121.731 54.98920 154.0489 
1 1 1   18    2    8 o  179.390   78.111  -0.0136   0.2415   0.0363   0.3039  -0.0991   0.3979  208.129   89.087  215.437   96.673 -7.308701 131.4619 
1 1 1   18    2    9 o  459.559   82.073   1.0730   0.3343   1.2206   0.5842   1.0011   0.4077  461.059  131.351  432.238  103.807 28.82053 167.4188 
1 1 1   18    2   10 o  254.028   93.599   0.2869   0.2882  -0.0631   0.4932   0.4685   0.3552  241.569  108.070  304.228  104.755 -62.65846 150.5086 
1 1 1   18    2   11 o  241.811   88.305   0.2595   0.2557  -0.1024   0.3414   0.7221   0.3860  197.639   89.044  364.984  107.605 -167.3455 139.6699 
1 1 1   18    2   12 o  655.831   59.221   2.0789   0.3535   2.2818   0.5152   1.8982   0.4860  670.809   85.404  608.454   89.477 62.35547 123.6932 
1 1 1   18    2   13 o  240.019   92.494   0.2237   0.2886   0.4341   0.4107   0.0183   0.4058  302.498  111.678  231.811  101.085 70.68715 150.6327 
1 1 1   18    2   14 o  809.893   55.374   3.1311   0.4102   3.1680   0.5920   3.0970   0.5689  798.122   81.761  790.825   79.246 7.296875 113.8630 
1 1 1   18    2   15 o  1099.68   50.711   5.7196   0.5131   5.5538   0.6894   5.9255   0.7684  1068.20   70.530  1098.24   76.519 -30.03638 104.0658 
1 1 1   18    2   16 o  606.651   69.560   1.8102   0.3813   2.2739   0.5297   1.3118   0.5492  668.355   88.299  483.142  123.166 185.2129 151.5470 
1 1 1   18    2   17 o  241.404   97.382   0.1984   0.3335   0.5730   0.4796  -0.1522   0.4640  329.810  120.854  222.752  101.712 107.0577 157.9586 
1 1 1   18    2   18 o  709.812   81.923   2.6133   0.5253   2.8811   0.7750   2.3859   0.7143  697.262  125.410  630.781  127.452 66.48169 178.8066 
1 1 1   18    2   19 o  182.622   87.915  -0.4363   0.4363   0.5145   0.5783  -1.6926   0.6648  304.803  126.204  172.771   87.266 132.0322 153.4364 
1 1 1   18    2   20 o  767.680   80.921   3.2439   0.5630   3.5127   0.7013   2.7563   0.9444  763.992  102.324  543.448  170.008 220.5435 198.4260 
1 1 1   18    4    0 o  1372.14   41.771   8.7140   0.5274   9.1960   0.8939   8.4567   0.6532  1402.30   69.276  1349.38   52.607 52.92407 86.98672 
1 1 1   18    4    1 o  632.714   52.352   1.8740   0.3021   2.0759   0.5246   1.7739   0.3694  656.078   89.216  612.173   66.660 43.90472 111.3688 
1 1 1   18    4    2 o  946.487   40.902   4.1530   0.3562   4.3181   0.5266   4.0138   0.4837  959.174   59.968  925.500   57.074 33.67322 82.78623 
1 1 1   18    4    3 o  464.636   55.744   1.0234   0.2336   0.8424   0.3525   1.1650   0.3118  410.429   95.189  492.017   70.929 -81.58792 118.7092 
1 1 1   18    4    4 o  1014.49   46.027   4.7984   0.4297   5.1739   0.8085   4.6506   0.5072  1033.67   85.776  994.257   55.663 39.41174 102.2546 
1 1 1   18    4    5 o  612.910   52.119   1.7753   0.2911   1.5301   0.3735   2.1551   0.4648  561.026   74.167  665.852   77.304 -104.8251 107.1291 
1 1 1   18    4    6 o  575.539   56.117   1.5797   0.2934   1.5850   0.3738   1.5712   0.4735  569.775   72.982  556.164   95.991 13.61072 120.5843 
1 1 1   18    4    7 o  488.024   71.801   1.1731   0.3128   1.1985   0.3606   1.0957   0.6289  488.123   83.263  440.462  138.878 47.66116 161.9257 
1 1 1   18    4    8 o  750.649   55.343   2.6946   0.3796   2.7595   0.4465   2.5255   0.7208  754.378   64.955  682.852  119.043 71.52612 135.6115 
1 1 1   18    4    9 o  406.243   69.625   0.8216   0.2509   0.9227   0.3542   0.7198   0.3555  419.346   94.096  367.011  101.734 52.33475 138.5781 
1 1 1   18    4   10 o  263.751   91.591   0.3346   0.2718   0.4092   0.4878   0.3010   0.3273  305.647  119.553  263.290   99.207 42.35684 155.3540 
1 1 1   18    4   11 o  318.914   97.022   0.5340   0.3101   0.2706   0.3588   1.3115   0.6165  262.014  102.520  473.299  134.958 -211.2847 169.4822 
1 1 1   18    4   12 o  571.653   74.896   1.6279   0.3845   1.7371   0.4721   1.4129   0.6626  580.529   91.397  488.055  140.165 92.47440 167.3312 
1 1 1   18    4   13 o  258.451   91.954   0.3099   0.2751   0.1622   0.3613   0.5139   0.4245  243.643  100.203  320.136  114.187 -76.49324 151.9187 
1 1 1   18    4   14 o  617.127   63.197   1.8440   0.3538   1.1653   0.4566   2.8640   0.5597  466.794  108.381  758.897   81.428 -292.1031 135.5617 
1 1 1   18    4   15 o  792.479   57.698   3.0093   0.4179   3.0350   0.5430   2.9719   0.6544  784.534   76.175  762.334   95.370 22.20062 122.0578 
1 1 1   18    4   16 o  367.013  101.490   0.7219   0.3542   1.2069   0.4802   0.1430   0.5247  469.049  112.678  272.415  116.846 196.6331 162.3249 
1 1 1   18    4   17 o  464.159  102.867   1.1753   0.4278   1.4017   0.6407   0.9932   0.5747  478.755  137.915  407.404  133.174 71.35083 191.7178 
1 1 1   18    4   18 o  386.021  107.459   0.8610   0.3957   0.6646   0.5314   1.1055   0.5930  337.373  126.539  413.964  135.275 -76.59161 185.2335 
1 1 1   18    4   19 o  371.381  138.832   0.9942   0.6386   0.9942   0.6386   0.0000   0.0000  371.381  138.832  ?   ?  0.000000 138.8322 
1 1 1   18    4   20 o  455.575  111.711   1.3457   0.4647   0.9590   0.6010   1.9206   0.7328  348.526  133.680  479.008  149.744 -130.4815 200.7329 
1 1 1   18    6    0 o  2017.48   34.463   18.818   0.6398   19.433   0.9257   18.255   0.8852  2045.05   49.191  1982.36   48.530 62.69250 69.10084 
1 1 1   18    6    1 f  148.051   65.914  -0.0653   0.1811  -0.0017   0.2903  -0.1058   0.2317  202.611   86.912  163.387   73.508 39.22478 113.8297 
1 1 1   18    6    2 o  1485.98   35.738   10.227   0.4887   10.130   0.7066   10.316   0.6766  1473.39   52.117  1487.97   49.413 -14.57959 71.81817 
1 1 1   18    6    3 o  959.386   41.952   4.2797   0.3703   4.7795   0.5112   3.7275   0.5373  1008.54   55.293  886.112   66.378 122.4236 86.39087 
1 1 1   18    6    4 o  443.008   57.859   0.9386   0.2302   0.6872   0.2956   1.3265   0.3671  369.540   88.159  520.473   79.139 -150.9333 118.4695 
1 1 1   18    6    5 f  350.456   68.795   0.6053   0.2139   0.4223   0.2993   0.7964   0.3058  294.301   96.108  397.298   86.142 -102.9978 129.0626 
1 1 1   18    6    6 o  225.992   80.130   0.2243   0.2088   0.4853   0.3069  -0.0004   0.2848  309.867   96.918  197.294   85.364 112.5733 129.1515 
1 1 1   18    6    7 o  656.781   49.488   2.0470   0.2969   2.2410   0.4087   1.8305   0.4319  679.423   66.220  606.674   79.271 72.74939 103.2910 
1 1 1   18    6    8 o  142.871   67.811  -0.2652   0.2406  -0.4148   0.2743   0.2340   0.5011  141.115   68.366  281.865  117.152 -140.7498 135.6412 
1 1 1   18    6    9 o  270.847   87.769   0.3668   0.2499   0.5885   0.3364   0.0942   0.3731  333.534  100.961  234.571   99.512 98.96317 141.7594 
1 1 1   18    6   10 o  332.601   87.567   0.5768   0.2717   0.8056   0.3797   0.3368   0.3889  386.184  104.362  279.650  107.472 106.5338 149.8049 
1 1 1   18    6   11 o  385.789   94.220   0.7866   0.3316   0.7439   0.5145   0.8169   0.4336  367.629  126.109  384.870  114.203 -17.24097 170.1352 
1 1 1   18    6   12 o  172.877   78.485  -0.1184   0.2713   0.2525   0.3590  -0.6122   0.4142  258.989  102.170  171.498   83.301 87.49078 131.8248 
1 1 1   18    6   13 o  1017.18   47.240   4.8808   0.4422   4.3550   0.5569   5.7775   0.7273  949.159   64.139  1086.06   73.201 -136.8958 97.32478 
1 1 1   18    6   14 o  980.816   49.367   4.5529   0.4441   4.8480   0.5974   4.1883   0.6640  1001.99   65.149  920.790   79.141 81.19611 102.5071 
1 1 1   18    6   15 o  1272.34   47.962   7.6418   0.5615   7.6837   0.7334   7.5824   0.8730  1264.21   63.043  1241.11   76.818 23.10242 99.37537 
1 1 1   18    6   16 o  543.170  108.690   1.5974   0.5243   1.9131   0.6834   1.1457   0.8173  576.021  131.787  431.153  157.804 144.8680 205.5965 
1 1 1   18    6   17 o  441.623   97.178   1.0566   0.3842   0.9911   0.4946   1.1562   0.6099  410.811  121.989  432.262  136.824 -21.45111 183.3091 
1 1 1   18    6   18 o  778.248   66.554   3.0432   0.4720   2.8532   0.6099   3.3269   0.7454  725.055   93.598  763.707  109.179 -38.65222 143.8075 
1 1 1   18    6   19 o  581.656  104.688   2.0043   0.5397   1.3782   0.5989   4.7121   1.2454  439.335  135.046  735.019  184.440 -295.6843 228.5948 
1 1 1   18    6   20 o  248.186  111.333   0.2211   0.5272   0.3935   0.6492  -0.1127   0.9036  274.018  123.185  256.712  124.299 17.30621 174.9994 
1 1 1   18    8    0 o  367.858   70.430   0.6578   0.2297   0.3865   0.3085   0.9954   0.3441  290.279   97.662  450.089   86.234 -159.8101 130.2848 
1 1 1   18    8    1 o  1000.57   39.452   4.6451   0.3632   4.7648   0.4933   4.5035   0.5369  1008.52   53.345  978.101   59.939 30.42023 80.23949 
1 1 1   18    8    2 o  1019.21   39.276   4.8249   0.3683   5.1265   0.5128   4.5036   0.5294  1045.07   53.510  977.176   59.154 67.89343 79.76511 
1 1 1   18    8    3 o  618.334   43.029   1.7903   0.2433   1.7213   0.3596   1.8485   0.3304  599.118   66.344  623.933   58.220 -24.81519 88.26681 
1 1 1   18    8    4 o  522.462   50.139   1.2924   0.2381   1.3708   0.3427   1.2192   0.3310  530.601   72.056  499.047   74.351 31.55313 103.5386 
1 1 1   18    8    5 o  333.201   70.056   0.5518   0.2080   0.2188   0.2779   0.9760   0.3136  239.179   91.094  442.015   80.058 -202.8366 121.2735 
1 1 1   18    8    6 o  558.283   52.799   1.4872   0.2680   1.3673   0.3649   1.6277   0.3950  524.302   78.003  573.454   76.783 -49.15271 109.4536 
1 1 1   18    8    7 o  743.300   48.321   2.6191   0.3287   2.8342   0.4682   2.4100   0.4616  763.018   67.375  700.048   72.718 62.96942 99.13286 
1 1 1   18    8    8 f  523.628   57.214   1.3241   0.2712   1.4397   0.3752   1.1978   0.3924  535.733   78.433  480.498   92.107 55.23495 120.9764 
1 1 1   18    8    9 o  538.213   74.429   1.4438   0.3587   1.7478   0.4406   0.8459   0.6179  587.191   83.935  387.849  137.818 199.3421 161.3661 
1 1 1   18    8   10 o  460.005   65.558   1.0423   0.2696   1.0124   0.3427   1.0909   0.4369  442.636   87.247  448.329  107.321 -5.692902 138.3105 
1 1 1   18    8   11 o  671.287   63.022   2.1910   0.3847   1.8084   0.5397   2.5864   0.5486  583.253  104.386  714.828   85.080 -131.5750 134.6667 
1 1 1   18    8   12 o  443.835   88.998   1.0179   0.3508   1.1303   0.4973   0.9066   0.4950  451.354  118.298  403.030  122.570 48.32330 170.3462 
1 1 1   18    8   13 o  1647.92   41.955   12.735   0.6362   13.436   0.8333   11.757   0.9851  1682.37   53.826  1558.73   68.680 123.6368 87.25961 
1 1 1   18    8   14 o  556.889   68.060   1.5174   0.3415   1.1098   0.4317   2.1987   0.5582  456.918  104.900  654.732   95.463 -197.8135 141.8352 
1 1 1   18    8   15 f  839.069   63.307   3.4091   0.4852   2.7762   0.6647   4.1309   0.7098  728.882  101.890  905.498   86.235 -176.6155 133.4846 
1 1 1   18    8   16 o  344.021  105.387   0.6433   0.3651  -0.0083   0.4530   1.8507   0.6166  236.893  104.915  572.958  120.759 -336.0652 159.9688 
1 1 1   18    8   17 o  209.335   95.317  -0.1136   0.4039  -0.2194   0.4854   0.1244   0.7282  217.842  101.101  290.970  130.660 -73.12741 165.2073 
1 1 1   18    8   18 o  514.587  105.818   1.5358   0.4843   1.7547   0.5497   0.7762   1.0238  542.211  113.808  350.013  156.208 192.1981 193.2695 
1 1 1   18    8   19 o  798.615   72.619   3.3748   0.5278   3.3247   0.6744   3.4540   0.8479  751.633   99.992  707.422  135.189 44.21088 168.1501 
1 1 1   18   10    0 o  942.927   35.435   4.1221   0.3074   4.2498   0.4423   4.0028   0.4276  952.352   50.659  924.250   50.473 28.10205 71.51115 
1 1 1   18   10    1 o  515.055   42.884   1.2438   0.2014   1.3884   0.3227   1.1515   0.2578  537.644   66.654  491.555   58.113 46.08920 88.43029 
1 1 1   18   10    2 o  601.792   40.034   1.6933   0.2204   1.4999   0.3284   1.8520   0.2974  558.792   65.078  626.114   52.092 -67.32129 83.35892 
1 1 1   18   10    3 o  418.068   52.442   0.8345   0.1973   0.5712   0.2901   1.0610   0.2691  335.088   91.509  468.377   64.128 -133.2890 111.7416 
1 1 1   18   10    4 o  402.772   56.779   0.7823   0.2046   0.9652   0.3013   0.6258   0.2787  440.556   77.130  350.165   86.909 90.39087 116.1994 
1 1 1   18   10    5 o  372.900   63.607   0.6825   0.2104   0.5515   0.2861   0.8370   0.3106  327.039   91.482  404.873   86.022 -77.83374 125.5737 
1 1 1   18   10    6 o  232.771   78.188   0.2562   0.1977   0.1316   0.2632   0.4177   0.2995  214.486   86.523  289.342   96.221 -74.85556 129.4013 
1 1 1   18   10    7 o  1037.21   38.153   5.0344   0.3641   5.4257   0.4705   4.4499   0.5750  1071.68   47.711  957.536   65.661 114.1482 81.16415 
1 1 1   18   10    8 o  823.625   43.409   3.2007   0.3278   3.3425   0.4188   2.9762   0.5268  835.659   54.764  775.534   74.749 60.12531 92.66387 
1 1 1   18   10    9 o  300.087   85.680   0.4654   0.2483   0.5271   0.3183   0.3695   0.3968  317.174   98.623  287.043  108.965 30.13098 146.9695 
1 1 1   18   10   10 o  302.795  100.771   0.4703   0.3285   0.5943   0.3656  -0.0504   0.7489  334.262  105.940  289.944  131.139 44.31717 168.5846 
1 1 1   18   10   11 o  345.539   89.856   0.6243   0.2884   0.6858   0.3614   0.5167   0.4784  357.716  103.745  323.930  120.344 33.78580 158.8896 
1 1 1   18   10   12 o  386.792  105.866   0.8027   0.3878   0.8734   0.4681   0.6483   0.6922  398.440  118.758  363.674  142.363 34.76590 185.3932 
1 1 1   18   10   13 o  884.147   55.755   3.7312   0.4513   3.2658   0.4988   5.8316   1.0596  820.623   66.628  1054.03  110.917 -233.4016 129.3904 
1 1 1   18   10   14 o  207.047   90.817  -0.0204   0.3318   0.2485   0.4982  -0.2349   0.4449  283.973  117.319  212.637   98.015 71.33533 152.8747 
1 1 1   18   10   15 o  353.945  101.153   0.6724   0.3459   1.3138   0.4741  -0.0578   0.5058  492.216  107.669  244.178  109.327 248.0374 153.4432 
1 1 1   18   10   16 o  1171.87   53.075   6.5867   0.5723   6.1543   0.7312   7.2706   0.9196  1112.32   71.822  1192.69   84.335 -80.36987 110.7735 
1 1 1   18   10   17 o  210.296   95.222  -0.0715   0.3961   0.2399   0.4656  -0.8883   0.7540  264.211  111.571  223.958  109.567 40.25281 156.3745 
1 1 1   18   10   18 o  476.130  102.616   1.3315   0.4363   1.4342   0.5680   1.1836   0.6815  462.822  128.704  395.445  144.194 67.37634 193.2784 
1 1 1   18   10   19 o  232.854  101.883   0.1828   0.4153   0.2508   0.5563   0.0973   0.6242  255.980  114.630  248.227  115.007 7.753235 162.3779 
1 1 1   18   12    0 f  937.790   79.220   4.2657   0.6772   4.7195   0.9733   3.8398   0.9429  963.173  111.902  859.832  122.649 103.3405 166.0269 
1 1 1   18   12    1 f  868.945   83.370   3.7003   0.6584   4.4251   0.9665   3.0725   0.8995  925.928  115.977  756.177  134.182 169.7505 177.3565 
1 1 1   18   12    2 o  229.074   79.437   0.2360   0.2044   0.1879   0.2143   0.7233   0.6819  217.203   80.574  382.934  143.404 -165.7304 164.4899 
1 1 1   18   12    3 o  229.985   66.052   0.2601   0.1472   0.2900   0.1923   0.2178   0.2287  244.192   76.759  227.991   83.463 16.20026 113.3933 
1 1 1   18   12    4 o  1040.85   31.673   5.0371   0.3034   5.1741   0.3798   4.7956   0.5042  1051.98   39.233  1003.85   54.795 48.13263 67.39212 
1 1 1   18   12    5 o  163.605   67.450   0.0502   0.1642   0.0380   0.2004   0.0753   0.2864  174.516   73.419  209.714   87.978 -35.19792 114.5881 
1 1 1   18   12    6 f  647.532   43.903   1.9811   0.2600   1.8613   0.3172   2.2265   0.4540  622.479   55.982  670.650   74.854 -48.17065 93.47225 
1 1 1   18   12    7 o  235.373   81.336   0.2591   0.2142   0.3754   0.2689   0.0570   0.3545  274.667   91.154  224.250   96.113 50.41710 132.4645 
1 1 1   18   12    8 o  511.263   66.916   1.2864   0.3072   1.2900   0.3303   1.2630   0.8364  509.193   72.557  450.342  160.312 58.85065 175.9669 
1 1 1   18   12    9 o  338.414   94.258   0.6044   0.3044   0.7839   0.3381  -0.1640   0.6995  384.439   95.894  272.129  124.497 112.3097 157.1470 
1 1 1   18   12   10 o  459.581   92.348   1.1008   0.3770   1.1106   0.4364   1.0720   0.7484  453.523  106.405  424.462  151.584 29.06128 185.2014 
1 1 1   18   12   11 o  1488.00   41.099   10.386   0.5627   10.194   0.7054   10.722   0.9333  1465.50   52.308  1487.08   68.203 -21.57520 85.95219 
1 1 1   18   12   12 o  405.246   88.996   0.8472   0.3228   1.4068   0.4213   0.0520   0.5022  524.360   90.596  259.050  112.720 265.3102 144.6147 
1 1 1   18   12   13 o  280.488  101.700   0.3649   0.3383   0.3146   0.4946   0.4091   0.4638  293.745  118.563  305.068  117.334 -11.32355 166.8066 
1 1 1   18   12   14 o  572.931   69.161   1.6169   0.3572   1.6897   0.4768   1.5236   0.5393  570.841   94.054  527.617  114.388 43.22345 148.0905 
1 1 1   18   12   15 o  489.954   79.779   1.2255   0.3473   1.1114   0.4701   1.3627   0.5154  444.186  114.332  492.090  115.754 -47.90475 162.6981 
1 1 1   18   12   16 o  516.448   89.879   1.4212   0.4116   1.4108   0.5117   1.4403   0.6929  493.577  114.819  466.575  145.575 27.00156 185.4064 
1 1 1   18   12   17 o  422.767   97.547   1.0179   0.3718   0.8212   0.5049   1.2507   0.5494  357.831  124.800  437.727  128.180 -79.89529 178.8996 
1 1 1   18   12   18 o  291.802  107.634   0.5230   0.3813   0.0390   0.5316   1.0357   0.5472  236.331  108.273  376.434  129.998 -140.1034 169.1815 
1 1 1   18   12   19 o  356.624  125.556   0.9869   0.5117   0.6403   0.8949   1.1552   0.6237  294.590  136.909  364.863  137.044 -70.27371 193.7141 
1 1 1   18   14    0 o  303.118  121.647   0.3251   0.5174   1.0557   0.7389  -0.3781   0.7249  436.126  151.034  266.901  123.758 169.2242 195.2621 
1 1 1   18   14    1 o  831.234   94.011   3.4828   0.7064   3.9824   0.9841   2.9516   1.0147  859.220  128.406  709.537  159.319 149.6829 204.6229 
1 1 1   18   14    2 o  154.622   67.079  -0.0126   0.1768  -0.0370   0.1810   0.4910   0.8215  151.487   66.745  359.738  149.803 -208.2511 163.9993 
1 1 1   18   14    3 o  261.147   64.066   0.3401   0.1528   0.3699   0.1555  -0.4788   0.8149  272.586   63.238  272.556  127.959 0.2966309E-01 142.7324 
1 1 1   18   14    4 o  846.019   39.324   3.3508   0.3061   3.3538   0.3201   3.3183   1.0481  845.717   41.132  743.588  158.045 102.1290 163.3092 
1 1 1   18   14    5 f  375.965   58.307   0.6900   0.1952   0.6808   0.2373   0.7092   0.3430  367.974   72.676  365.441   99.382 2.532074 123.1203 
1 1 1   18   14    6 o  471.409   54.297   1.0709   0.2312   1.0430   0.2877   1.1217   0.3886  458.330   70.469  463.178   94.387 -4.848053 117.7910 
1 1 1   18   14    7 o  258.721   82.402   0.3335   0.2210   0.2686   0.2704   0.4642   0.3834  246.664   90.688  305.317  108.558 -58.65294 141.4533 
1 1 1   18   14    8 o  854.795   41.181   3.4320   0.3239   3.4441   0.4237   3.4151   0.5025  848.201   54.573  837.352   65.746 10.84912 85.44438 
1 1 1   18   14    9 o  231.944   84.856   0.2340   0.2363   0.0304   0.3049   0.5405   0.3740  206.436   88.821  322.109  107.532 -115.6732 139.4711 
1 1 1   18   14   10 o  241.020   91.908   0.2324   0.2831   0.4165   0.3605  -0.0636   0.4571  293.870  105.181  234.072  104.425 59.79851 148.2153 
1 1 1   18   14   11 o  585.983   56.513   1.6486   0.3009   1.8517   0.4145   1.4222   0.4376  611.976   75.195  525.228   93.994 86.74823 120.3711 
1 1 1   18   14   12 o  227.633   92.220   0.1490   0.3004   0.1705   0.4676   0.1339   0.3921  267.597  112.345  246.405  103.121 21.19217 152.4971 
1 1 1   18   14   13 o  722.956   71.787   2.5733   0.4712   2.5808   0.6786   2.5664   0.6549  695.567  109.656  697.147  105.381 -1.580200 152.0846 
1 1 1   18   14   14 o  299.179   97.434   0.4661   0.3077   0.0566   0.3980   1.0748   0.4853  232.971  100.858  435.307  118.131 -202.3357 155.3297 
1 1 1   18   14   15 o  390.540  101.697   0.8485   0.3691   0.8641   0.4733   0.8243   0.5894  383.051  120.448  370.443  134.244 12.60876 180.3582 
1 1 1   18   14   16 f  495.195   86.799   1.3211   0.3811   1.1783   0.5090   1.5032   0.5749  434.910  122.152  488.735  126.763 -53.82504 176.0395 
1 1 1   18   14   17 o  298.548  107.836   0.5394   0.3799   0.9428   0.5182   0.0706   0.5585  368.848  126.550  246.052  112.057 122.7960 169.0320 
1 1 1   18   14   18 o  367.148  113.983   0.9277   0.4254   0.8464   0.6067   1.0063   0.5967  326.398  131.459  351.329  133.571 -24.93146 187.4106 
1 1 1   18   16    0 o  253.962  114.023  -0.1009   0.5543  -0.0565   0.7842  -0.1451   0.7836  300.797  135.288  293.269  133.239 7.527374 189.8833 
1 1 1   18   16    1 o  562.316  131.361   1.7721   0.6674   1.8672   0.9510   1.6799   0.9369  543.787  170.689  516.852  170.085 26.93469 240.9637 
1 1 1   18   16    2 o  341.319  129.123   0.5642   0.5559   1.0357   0.7864   0.0932   0.7860  424.395  154.869  312.253  138.249 112.1416 207.5989 
1 1 1   18   16    3 o  141.142   60.467   0.0026   0.1402  -0.0214   0.1421   0.8701   0.8546  136.386   59.640  401.910  157.929 -265.5239 168.8149 
1 1 1   18   16    4 o  672.057   39.470   2.1227   0.2430   2.1577   0.2806   2.0177   0.4860  675.313   45.422  631.344   85.892 43.96899 97.16306 
1 1 1   18   16    5 o  277.358   67.207   0.3869   0.1697   0.3181   0.2171   0.4952   0.2723  253.834   81.758  309.014   90.167 -55.17929 121.7141 
1 1 1   18   16    6 o  703.232   38.603   2.3230   0.2488   2.0984   0.3304   2.6173   0.3782  661.380   54.788  738.380   56.086 -76.99927 78.40552 
1 1 1   18   16    7 o  473.693   53.698   1.0807   0.2299   0.7540   0.3038   1.5186   0.3517  380.449   88.458  554.337   70.559 -173.8876 113.1517 
1 1 1   18   16    8 o  535.334   52.186   1.3728   0.2538   1.3064   0.3410   1.4554   0.3800  511.900   74.580  538.302   79.084 -26.40250 108.7034 
1 1 1   18   16    9 o  598.544   52.188   1.7111   0.2846   1.8275   0.3889   1.5770   0.4175  609.750   70.621  558.839   83.763 50.91034 109.5610 
1 1 1   18   16   10 o  1349.89   41.800   8.5442   0.5192   8.9419   0.7909   8.2430   0.6883  1364.75   62.982  1315.41   56.864 49.34619 84.85384 
1 1 1   18   16   11 o  357.498  107.503   0.6810   0.3824   0.6961   0.5596   0.6677   0.5236  363.734  130.955  356.976  126.871 6.758270 182.3329 
1 1 1   18   16   12 o  407.819   85.900   0.8580   0.3122   0.8043   0.4239   0.9217   0.4614  383.413  112.690  407.848  116.912 -24.43555 162.3808 
1 1 1   18   16   13 o  608.794   79.665   1.8744   0.4356   2.6400   0.6760   1.3310   0.5695  699.204  108.598  478.739  127.145 220.4655 167.2105 
1 1 1   18   16   14 o  317.125  107.614   0.5486   0.3746   0.7044   0.4891   0.3274   0.5828  350.334  122.788  296.602  125.013 53.73169 175.2286 
1 1 1   18   16   15 o  367.175  103.303   0.7779   0.3637   0.2392   0.4824   1.4877   0.5537  264.988  112.804  492.565  122.634 -227.5773 166.6249 
1 1 1   18   16   16 o  194.309   88.627  -0.0710   0.3511  -0.5500   0.4663   0.5560   0.5334  180.394   87.797  304.610  123.065 -124.2158 151.1730 
1 1 1   18   16   17 o  748.859   70.973   2.9914   0.4832   3.3779   0.7007   2.6410   0.6673  738.641  106.144  632.432  119.030 106.2093 159.4823 
1 1 1   18   18    0 o  662.896   45.519   2.0757   0.2760   2.0128   0.2853   2.9928   1.0890  651.819   47.900  693.618  171.576 -41.79858 178.1364 
1 1 1   18   18    1 o  544.052  138.275   1.7029   0.6937   1.3137   0.9021   2.2663   1.0852  463.241  166.317  584.971  182.119 -121.7303 246.6346 
1 1 1   18   18    2 o  391.431   62.849   0.7523   0.2187   0.7323   0.2247   1.1112   0.9530  384.981   65.797  434.624  167.901 -49.64334 180.3331 
1 1 1   18   18    3 o  572.442   36.161   1.5363   0.1895   1.5865   0.2299   1.4301   0.3346  579.379   43.445  539.188   69.022 40.19122 81.55695 
1 1 1   18   18    4 o  349.800   59.110   0.6002   0.1835   0.8174   0.2226   0.1405   0.3239  408.700   61.075  230.962   94.921 177.7382 112.8722 
1 1 1   18   18    5 f  473.815   53.928   1.0809   0.2309   1.4129   0.2868   0.4691   0.3893  540.423   58.620  307.421  109.383 233.0023 124.1004 
1 1 1   18   18    6 o  253.784   84.572   0.3132   0.2314   0.2659   0.2753   0.4270   0.4270  247.257   91.404  302.711  113.448 -55.45416 145.6880 
1 1 1   18   18    7 o  349.743   81.204   0.6267   0.2563   0.6876   0.3090   0.4924   0.4590  362.452   92.373  318.927  118.001 43.52454 149.8561 
1 1 1   18   18    8 o  295.234   87.366   0.4451   0.2540   0.0141   0.3554   0.8956   0.3633  219.008   95.056  412.928   97.223 -193.9196 135.9706 
1 1 1   18   18    9 o  224.058   86.959   0.1813   0.2565   0.0744   0.3606   0.2908   0.3651  229.711   97.652  269.093  103.932 -39.38153 142.6106 
1 1 1   18   18   10 o  955.708   44.716   4.2976   0.3932   4.7087   0.5406   3.8354   0.5731  990.336   59.596  885.771   70.913 104.5647 92.62959 
1 1 1   18   18   11 o  722.570   68.868   2.5609   0.4523   3.1717   0.6205   1.8682   0.6608  791.108   86.657  573.947  128.348 217.1608 154.8632 
1 1 1   18   18   12 o  214.909   91.645   0.0665   0.3194  -0.1318   0.3974   0.4281   0.5367  208.506   94.789  310.533  124.151 -102.0272 156.1998 
1 1 1   18   18   13 f  251.016  107.983   0.1348   0.4504   0.1310   0.5771   0.1406   0.7206  271.866  119.496  292.805  130.834 -20.93814 177.1916 
1 1 1   18   18   14 o  489.824   85.827   1.2855   0.3727   1.1842   0.5052   1.4064   0.5521  438.336  121.201  475.721  124.638 -37.38431 173.8517 
1 1 1   18   18   15 o  178.783   83.644  -0.1918   0.3431   0.2294   0.4906  -0.5949   0.4800  256.774  111.568  180.791   88.227 75.98293 142.2372 
1 1 1   18   18   16 o  390.568  109.956   0.9993   0.4119   1.2064   0.5718   0.7758   0.5940  395.194  132.952  321.310  129.843 73.88446 185.8373 
1 1 1   18   20    0 o  469.954   48.383   1.0520   0.2062   1.0221   0.2636   1.0994   0.3311  457.254   64.446  467.664   79.798 -10.41025 102.5723 
1 1 1   18   20    1 o  416.138   50.194   0.8298   0.1883   0.7104   0.2356   1.0410   0.3134  377.440   70.432  455.553   77.533 -78.11218 104.7472 
1 1 1   18   20    2 o  228.917   76.188   0.2488   0.1878   0.1490   0.2562   0.3647   0.2760  216.329   86.006  273.218   92.379 -56.88962 126.2174 
1 1 1   18   20    3 f  405.416   53.754   0.7932   0.1956   0.7007   0.2351   1.0014   0.3526  374.423   70.821  440.207   90.085 -65.78329 114.5899 
1 1 1   18   20    4 f  197.315   74.755   0.1472   0.1865   0.1253   0.2213   0.2008   0.3465  201.362   79.968  247.787   99.513 -46.42525 127.6625 
1 1 1   18   20    5 o  237.830   82.509   0.2619   0.2206   0.0501   0.2541   0.9096   0.4442  195.303   82.444  408.531  113.899 -213.2276 140.6057 
1 1 1   18   20    6 o  843.594   49.288   3.3714   0.3809   3.2283   0.4681   3.6519   0.6554  818.244   62.649  855.160   84.394 -36.91614 105.1058 
1 1 1   18   20    7 o  230.968   90.796   0.1845   0.2826   0.4544   0.3455  -0.3606   0.4910  302.433  103.347  213.478   99.934 88.95470 143.7615 
1 1 1   18   20    8 o  402.627   85.287   0.8307   0.3061   0.5453   0.3588   1.5951   0.5872  324.561  105.173  538.549  121.389 -213.9882 160.6133 
1 1 1   18   20    9 o  1290.59   43.984   7.8374   0.5223   7.7173   0.6337   8.0919   0.9224  1273.44   54.083  1278.47   78.792 -5.037231 95.56740 
1 1 1   18   20   10 o  291.158  100.599   0.4257   0.3277   0.1673   0.3630   1.5645   0.7621  243.316  100.296  500.800  152.032 -257.4846 182.1347 
1 1 1   18   20   11 o  321.798  115.479   0.5488   0.4348   0.7438   0.5165   0.0743   0.8057  361.698  126.221  302.508  136.493 59.18991 185.9083 
1 1 1   18   20   12 o  612.641   67.980   1.8802   0.3768   1.0410   0.4800   3.2273   0.6081  418.797  118.970  787.009   85.343 -368.2115 146.4146 
1 1 1   18   20   13 o  276.381  109.674   0.3743   0.4159   0.6682   0.5873   0.0785   0.5891  332.448  130.830  259.844  117.026 72.60388 175.5320 
1 1 1   18   20   14 o  305.542  103.197   0.5606   0.3445   0.2623   0.4463   0.9999   0.5417  254.601  108.450  377.796  129.404 -123.1945 168.8390 
1 1 1   18   20   15 o  164.775   79.466  -0.3508   0.3603   0.0133   0.5049  -0.7284   0.5143  225.678  104.165  175.676   86.826 50.00232 135.6063 
1 1 1   18   22    0 o  804.023   42.947   3.0390   0.3166   3.4454   0.4138   2.4656   0.4916  851.558   53.079  707.459   76.743 144.0984 93.31058 
1 1 1   18   22    1 o  893.090   41.932   3.7373   0.3446   4.1314   0.4600   3.2333   0.5202  932.127   53.859  815.071   70.041 117.0554 88.35474 
1 1 1   18   22    2 o  519.106   60.901   1.3034   0.2854   1.4943   0.4061   1.1171   0.4011  545.354   83.594  463.366   97.176 81.98819 128.1840 
1 1 1   18   22    3 o  638.144   60.486   1.9604   0.3509   1.7303   0.5264   2.1446   0.4709  575.979  103.100  657.594   79.424 -81.61499 130.1451 
1 1 1   18   22    4 o  321.312  100.580   0.5314   0.3305   0.9847   0.5242   0.2322   0.4258  422.094  125.631  270.204  109.673 151.8896 166.7673 
1 1 1   18   22    5 o  402.137   78.334   0.8148   0.2794   0.6324   0.3403   1.1922   0.4896  347.288  100.658  469.299  114.404 -122.0110 152.3816 
1 1 1   18   22    6 o  607.085   56.885   1.7692   0.3141   1.9209   0.3912   1.4942   0.5268  626.871   68.958  527.486  111.991 99.38501 131.5191 
1 1 1   18   22    7 o  322.369   94.885   0.5420   0.3004   0.3129   0.3688   0.9931   0.5176  273.165  104.731  420.746  124.749 -147.5816 162.8832 
1 1 1   18   22    8 o  593.865   66.768   1.7308   0.3585   1.4782   0.4281   2.3242   0.6562  535.013   90.162  655.038  112.940 -120.0250 144.5155 
1 1 1   18   22    9 o  664.166   66.354   2.1708   0.4001   2.0257   0.4549   2.6663   0.8407  632.376   79.964  668.119  141.171 -35.74237 162.2452 
1 1 1   18   22   10 o  671.083   73.230   2.2675   0.4449   1.9581   0.4906   3.6989   1.0551  610.224   90.080  757.453  156.555 -147.2293 180.6213 
1 1 1   18   22   11 o  869.542   68.423   3.7990   0.5430   4.5455   0.7200   2.8139   0.8271  930.918   84.986  666.516  139.343 264.4023 163.2151 
1 1 1   18   22   12 o  320.352  111.403   0.6158   0.4022   1.1141   0.4962  -0.3382   0.6867  417.450  121.703  238.195  113.482 179.2550 166.4028 
1 1 1   18   22   13 o  460.713  135.223   1.5409   0.6108   1.5318   0.7072   1.5677   1.2115  434.217  147.856  375.720  168.640 58.49759 224.2780 
1 1 1   18   22   14 o  348.700  119.377   0.8843   0.4610   1.1924   0.5571   0.2148   0.8213  388.867  131.233  267.380  126.429 121.4873 182.2264 
1 1 1   18   24    0 o  338.591   88.147   0.5871   0.2773   0.3818   0.3378   1.0116   0.4857  286.484  101.888  432.767  118.498 -146.2840 156.2780 
1 1 1   18   24    1 o  126.074   61.773  -0.4513   0.2424  -0.4898   0.3051  -0.3856   0.3990  146.741   71.326  186.588   88.194 -39.84741 113.4263 
1 1 1   18   24    2 o  513.602   76.593   1.3084   0.3509   0.8815   0.4739   1.8266   0.5222  403.158  119.329  595.679   98.719 -192.5206 154.8705 
1 1 1   18   24    3 o  266.024  100.652   0.2954   0.3378  -0.2913   0.4623   0.9679   0.4949  212.602   98.667  419.901  121.292 -207.2997 156.3550 
1 1 1   18   24    4 o  511.581   81.821   1.3176   0.3722   1.2209   0.5318   1.4103   0.5211  469.310  122.010  510.609  113.810 -41.29935 166.8508 
1 1 1   18   24    5 f  929.916   57.022   4.1443   0.4856   3.5594   0.6728   4.7799   0.7015  838.377   88.558  982.043   78.275 -143.6660 118.1929 
1 1 1   18   24    6 o  280.673   96.635   0.3906   0.3023   0.1019   0.3592   1.0909   0.5595  231.804   97.948  434.101  129.930 -202.2967 162.7133 
1 1 1   18   24    7 o  346.374   98.761   0.6477   0.3301   0.7152   0.3879   0.4702   0.6289  360.143  108.270  325.619  132.861 34.52435 171.3898 
1 1 1   18   24    8 o  313.970  105.232   0.5334   0.3582   0.5765   0.4114   0.3985   0.7281  324.554  112.682  321.246  137.713 3.308105 177.9386 
1 1 1   18   24    9 o  688.047   67.737   2.3748   0.4233   2.4671   0.5180   2.1894   0.7344  687.059   83.663  589.003  137.925 98.05646 161.3157 
1 1 1   18   24   10 o  216.789   98.161  -0.0433   0.4210  -0.5279   0.5235   0.8434   0.7081  197.573   95.410  355.522  142.435 -157.9486 171.4375 
1 1 1   18   24   11 o  369.258  111.251   0.8584   0.4092   0.7756   0.5006   1.0250   0.7102  340.901  123.695  365.539  143.869 -24.63870 189.7330 
1 1 1   18   24   12 o  579.177   86.132   1.8991   0.4451   1.7528   0.5467   2.1865   0.7662  514.508  117.998  513.948  151.632 0.5604248 192.1349 
1 1 1   18   24   13 o  217.302  105.661  -0.3391   0.6712  -0.3391   0.6712   0.0000   0.0000  217.302  105.661  ?   ?  0.000000 105.6613 
1 1 1   18   26    0 o  815.508   56.370   3.1763   0.4204   3.2659   0.5332   3.0291   0.6836  817.986   71.554  768.125   99.022 49.86121 122.1690 
1 1 1   18   26    1 o  295.133  102.108   0.4283   0.3377   0.8465   0.4272  -0.2679   0.5512  395.192  112.232  235.852  108.852 159.3397 156.3482 
1 1 1   18   26    2 o  679.386   68.904   2.2608   0.4248   1.9419   0.5523   2.7225   0.6646  607.896  102.380  720.973  103.122 -113.0773 145.3134 
1 1 1   18   26    3 o  251.689  103.038   0.1931   0.3799   0.0266   0.5394   0.3568   0.5350  260.763  115.037  302.788  122.923 -42.02472 168.3554 
1 1 1   18   26    4 o  753.914   75.297   2.8363   0.5154   3.3603   0.7061   2.2391   0.7539  800.712   97.874  617.116  136.397 183.5955 167.8797 
1 1 1   18   26    5 o  567.417   91.245   1.6890   0.4603   1.6505   0.6168   1.7375   0.6913  530.038  127.935  532.706  139.413 -2.668335 189.2172 
1 1 1   18   26    6 o  229.233  101.717   0.0040   0.4278   0.0297   0.5992  -0.0228   0.6109  264.363  118.632  261.187  118.259 3.176025 167.5070 
1 1 1   18   26    7 o  308.853  115.982   0.5219   0.4467   0.9112   0.6537   0.1809   0.6118  375.273  140.426  277.379  122.432 97.89392 186.3035 
1 1 1   18   26    8 o  364.842  106.442   0.7902   0.3795   0.6809   0.4498   1.0602   0.7068  333.966  117.699  384.680  145.582 -50.71436 187.2087 
1 1 1   18   26    9 o  389.668  109.512   0.9421   0.4090   0.5757   0.4877   1.8107   0.7509  306.541  119.634  482.000  151.725 -175.4584 193.2169 
1 1 1   18   26   10 o  299.424  116.509   0.5866   0.4614   0.3587   0.5780   0.9870   0.7662  271.391  119.433  341.883  143.680 -70.49109 186.8371 
1 1 1   18   26   11 o  272.705  108.378   0.4759   0.4067   0.4270   0.4816   0.5974   0.7593  266.395  113.036  290.022  131.530 -23.62692 173.4282 
1 1 1   18   26   12 o  380.572  167.652   2.3446   1.1417   2.3446   1.1417   0.0000   0.0000  380.572  167.652  ?   ?  0.000000 167.6525 
1 1 1   18   28    0 o  706.104   73.125   2.4807   0.4682   3.0005   0.5796   1.5039   0.7945  768.911   83.244  483.146  156.504 285.7651 177.2655 
1 1 1   18   28    1 f  484.231  101.307   1.2694   0.4369   1.1424   0.5331   1.5292   0.7625  441.593  125.355  486.297  152.864 -44.70386 197.6896 
1 1 1   18   28    2 o  510.216  100.332   1.4137   0.4543   0.8587   0.5748   2.3370   0.7414  379.315  133.105  626.271  132.773 -246.9558 188.0043 
1 1 1   18   28    3 o  188.549   89.766  -0.3929   0.4281  -0.9499   0.5388   0.5602   0.7049  180.432   89.120  334.156  138.923 -153.7235 165.0512 
1 1 1   18   28    4 o  276.765  111.894   0.3401   0.4413   0.7823   0.6454  -0.0484   0.6049  356.266  138.019  254.043  116.050 102.2228 180.3242 
1 1 1   18   28    5 o  300.413  117.480   0.4904   0.4710   0.9097   0.7052   0.1528   0.6328  366.311  143.618  272.976  122.244 93.33511 188.5990 
1 1 1   18   28    6 o  324.877  122.817   0.6621   0.5027  -0.5828   0.7214   1.8373   0.7010  227.698  110.445  508.395  143.545 -280.6965 181.1162 
1 1 1   18   28    7 o  288.864  115.359   0.4921   0.4628   0.3312   0.6584   0.6493   0.6508  280.038  125.100  314.294  132.270 -34.25684 182.0588 
1 1 1   18   28    8 o  297.379  122.093   0.5930   0.5352  -0.0407   0.7621   1.2096   0.7519  252.001  119.920  366.116  146.740 -114.1148 189.5091 
1 1 1   18   28    9 o  224.102  102.076   0.0950   0.4637   0.2262   0.5842  -0.1283   0.7623  249.298  113.948  239.555  115.544 9.742950 162.2795 
1 1 1   18   28   10 o  375.312  134.724   1.2651   0.5919   1.2593   0.7734   1.2733   0.9195  339.879  143.676  325.609  146.468 14.27066 205.1721 
1 1 1   18   30    0 o  434.715  112.896   1.1212   0.4556   1.5569   0.5747   0.3841   0.7476  502.516  124.844  310.014  136.139 192.5021 184.7156 
1 1 1   18   30    1 o  326.976  118.841   0.6402   0.4624  -0.0784   0.5800   1.8936   0.7660  243.457  112.108  513.844  151.612 -270.3875 188.5586 
1 1 1   18   30    2 o  183.220   88.303  -0.4542   0.4431  -0.6714   0.6034  -0.1998   0.6530  203.721   99.307  242.492  114.068 -38.77135 151.2395 
1 1 1   18   30    3 o  389.917  126.404   1.0310   0.5182   0.8082   0.7267   1.2616   0.7392  339.248  141.049  398.431  149.282 -59.18304 205.3778 
1 1 1   18   30    4 o  312.448  123.269   0.6432   0.5226   0.1702   0.7169   1.1794   0.7633  269.437  124.278  373.862  148.509 -104.4249 193.6488 
1 1 1   18   30    5 o  252.331  113.308   0.2141   0.5476   0.3782   0.8213   0.0827   0.7348  285.095  132.029  258.503  121.407 26.59149 179.3637 
1 1 1   18   30    6 o  265.495  116.412   0.3862   0.5448   0.5595   0.7985   0.2353   0.7451  289.696  132.711  263.504  123.276 26.19189 181.1330 
1 1 1   18   30    7 o  220.378  105.108  -0.1089   0.5925  -0.3316   0.9827   0.0183   0.7426  243.399  120.246  242.855  116.329 0.5443878 167.3071 
1 1 1   18   32    0 o  165.468   81.912  -0.7513   0.4643  -0.2357   0.5729  -1.7389   0.7928  218.520  103.982  187.399   94.731 31.12068 140.6640 
1 1 1   18   32    1 o  197.207   94.552  -0.3165   0.4931   0.0716   0.6199  -0.9852   0.8138  245.872  114.162  212.593  105.782 33.27815 155.6368 
1 1 1   18   32    2 o  311.514  124.043   0.7188   0.5337   0.6173   0.6980   0.8616   0.8282  295.571  130.601  316.669  140.969 -21.09827 192.1694 
1 1 1   18   32    3 o  286.878  142.538   0.3315   1.4561   0.3315   1.4561   0.0000   0.0000  286.878  142.538  ?   ?  0.000000 142.5375 
1 1 1   19    1    0 o  1183.19   40.793   6.4829   0.4441   6.7835   0.6386   6.2012   0.6181  1206.45   57.523  1151.84   58.509 54.61365 82.05010 
1 1 1   19    1    1 o  585.633   53.504   1.6105   0.2851   1.6405   0.4182   1.5843   0.3897  584.085   79.916  575.162   75.463 8.922852 109.9146 
1 1 1   19    1    2 o  1040.05   58.020   5.0760   0.5530   4.8673   0.8137   5.2551   0.7540  1005.29   88.881  1049.86   78.617 -44.57025 118.6611 
1 1 1   19    1    3 o  482.922   78.308   1.1365   0.3361   1.2812   0.5105   1.0259   0.4464  500.405  113.479  448.456  109.206 51.94897 157.4909 
1 1 1   19    1    4 o  349.940   85.466   0.6139   0.2728   0.4731   0.4865   0.6784   0.3295  328.838  121.525  365.820   96.499 -36.98221 155.1782 
1 1 1   19    1    5 o  537.276   66.870   1.3946   0.3234   1.2570   0.3849   1.7253   0.5967  501.881   86.465  573.553  117.023 -71.67175 145.5013 
1 1 1   19    1    6 o  538.822   55.937   1.3881   0.2733   1.4226   0.3728   1.3480   0.4018  536.524   77.780  517.449   87.515 19.07544 117.0840 
1 1 1   19    1    7 o  973.238   49.450   4.4807   0.4414   4.4605   0.5435   4.5198   0.7564  963.816   61.608  950.538   87.462 13.27795 106.9821 
1 1 1   19    1    8 o  745.664   69.436   2.7185   0.4709   2.1647   0.6448   3.3515   0.6894  633.817  114.791  809.438   94.335 -175.6215 148.5801 
1 1 1   19    1    9 o  307.975   94.454   0.4917   0.2931   0.3297   0.5031   0.5749   0.3607  295.634  119.491  330.310  105.287 -34.67551 159.2592 
1 1 1   19    1   10 o  1100.14   45.577   5.7098   0.4614   6.3923   0.6648   5.0755   0.6409  1149.61   63.082  1019.39   68.727 130.2241 93.28855 
1 1 1   19    1   11 f  422.846   78.733   0.9076   0.2951   1.1108   0.4304   0.7273   0.4053  454.056  105.088  365.615  110.852 88.44147 152.7473 
1 1 1   19    1   12 o  300.912   93.945   0.4665   0.2885  -0.0798   0.3922   1.1107   0.4259  215.262   96.333  455.384  103.939 -240.1217 141.7161 
1 1 1   19    1   13 o  118.498   58.651  -0.5199   0.2377  -0.4105   0.3477  -0.6158   0.3257  167.368   80.019  143.910   70.732 23.45828 106.7990 
1 1 1   19    1   14 f  899.826   53.541   3.8522   0.4413   3.5731   0.6100   4.1587   0.6393  850.409   78.845  919.898   76.211 -69.48901 109.6568 
1 1 1   19    1   15 o  591.462   75.691   1.7358   0.4025   1.1775   0.5431   2.4159   0.5994  457.985  125.268  683.617   98.105 -225.6314 159.1123 
1 1 1   19    1   16 o  778.590   65.790   2.9625   0.4669   3.4559   0.6784   2.5184   0.6436  819.958   91.476  687.804  105.027 132.1539 139.2784 
1 1 1   19    1   17 o  416.504  103.996   0.9647   0.3974   0.8606   0.5473   1.0808   0.5778  379.803  130.065  419.905  133.204 -40.10162 186.1729 
1 1 1   19    1   18 o  907.395   94.354   4.4838   0.7763   4.9214   1.1305   4.0933   1.0679  864.248  147.442  773.883  155.363 90.36499 214.1887 
1 1 1   19    1   19 o  734.823   71.992   2.8336   0.4805   2.7099   0.6664   2.9676   0.6936  663.773  113.158  696.679  111.989 -32.90643 159.2046 
1 1 1   19    1   20 o  575.330  100.033   2.0230   0.5103   2.1219   0.6656   1.8818   0.7950  530.932  135.721  442.075  156.410 88.85645 207.0851 
1 1 1   19    3    0 o  347.587   87.729   0.5952   0.2806   0.6292   0.4994   0.5795   0.3392  367.153  124.250  344.081  100.715 23.07227 159.9425 
1 1 1   19    3    1 o  579.756   60.421   1.5887   0.3176   1.8671   0.5728   1.4651   0.3816  614.130  105.153  551.821   77.274 62.30939 130.4925 
1 1 1   19    3    2 f  589.670   51.755   1.6342   0.2780   1.7364   0.4095   1.5469   0.3786  601.032   75.729  567.248   74.312 33.78406 106.0996 
1 1 1   19    3    3 o  552.192   53.263   1.4398   0.2673   1.5799   0.4032   1.3300   0.3570  570.417   78.930  523.478   76.359 46.93927 109.8210 
1 1 1   19    3    4 o  406.166   66.959   0.8019   0.2415   0.9535   0.3636   0.6821   0.3231  434.426   93.715  366.592   95.008 67.83356 133.4507 
1 1 1   19    3    5 o  474.748   59.440   1.0825   0.2540   1.2955   0.3729   0.8982   0.3469  511.137   82.062  420.015   92.267 91.12228 123.4801 
1 1 1   19    3    6 o  566.245   79.015   1.5873   0.4005   1.5873   0.4005   0.0000   0.0000  566.245   79.015  ?   ?  0.000000 79.01465 
1 1 1   19    3    7 o  1086.83   59.588   5.6564   0.5936   5.6564   0.5936   0.0000   0.0000  1086.83   59.588  ?   ?  0.000000 59.58814 
1 1 1   19    3    8 o  321.622   81.282   0.5309   0.2407   0.6381   0.3379   0.4205   0.3428  347.270  100.202  293.099  102.797 54.17081 143.5537 
1 1 1   19    3    9 o  384.198   80.005   0.7535   0.2736   0.4320   0.3639   1.1715   0.4151  297.003  105.747  470.959   98.925 -173.9562 144.8052 
1 1 1   19    3   10 o  886.809   58.752   3.7855   0.4767   4.1098   0.8196   3.6197   0.5860  886.294  102.388  855.208   75.234 31.08649 127.0567 
1 1 1   19    3   11 o  644.531   59.922   2.0102   0.3513   1.9098   0.4739   2.1328   0.5235  612.414   86.502  644.656   90.760 -32.24194 125.3795 
1 1 1   19    3   12 o  484.619   74.266   1.1721   0.3206   1.3553   0.4599   0.9989   0.4472  505.525  102.381  427.081  112.301 78.44370 151.9651 
1 1 1   19    3   13 o  537.792   67.696   1.4164   0.3276   1.2079   0.4533   1.6443   0.4739  476.045  106.187  565.067   94.477 -89.02136 142.1322 
1 1 1   19    3   14 o  509.572   73.686   1.2854   0.3355   1.5130   0.4766   1.0620   0.4722  539.078   99.764  441.830  115.032 97.24829 152.2667 
1 1 1   19    3   15 o  211.840   88.937   0.0778   0.2931   0.1912   0.4051  -0.0467   0.4245  257.855  106.083  228.270  101.307 29.58510 146.6857 
1 1 1   19    3   16 o  429.239   89.749   0.9641   0.3431   0.7774   0.4573   1.2045   0.5189  373.159  118.507  460.547  120.914 -87.38797 169.3051 
1 1 1   19    3   17 o  215.340   96.042  -0.0331   0.3864   0.6643   0.6005  -0.5258   0.5047  345.217  133.303  198.306   95.231 146.9112 163.8246 
1 1 1   19    3   18 o  254.666  103.495   0.2731   0.3797   0.4973   0.5185   0.0139   0.5576  304.306  121.899  248.856  112.800 55.44995 166.0819 
1 1 1   19    3   19 f  685.683  102.530   2.7795   0.6270   3.0241   0.7688   2.2935   1.0837  675.508  128.378  459.972  178.669 215.5368 220.0080 
1 1 1   19    3   20 o  356.162  159.133   1.5498   1.0658   0.0000   0.0000   1.5498   1.0658  ?   ?   356.162  159.133 0.000000 159.1329 
1 1 1   19    5    0 o  349.111   75.339   0.5963   0.2349   0.6764   0.3419   0.5247   0.3234  368.779   98.767  328.141   98.904 40.63779 139.7744 
1 1 1   19    5    1 o  1204.88   38.689   6.7304   0.4289   6.9058   0.6153   6.5645   0.5983  1215.77   55.000  1185.39   54.852 30.37927 77.67703 
1 1 1   19    5    2 o  727.161   44.823   2.4702   0.2985   2.6558   0.4420   2.3147   0.4046  748.049   64.858  698.416   63.659 49.63306 90.87907 
1 1 1   19    5    3 o  255.134   79.196   0.3127   0.2054   0.3647   0.2998   0.2667   0.2819  281.302   96.264  253.938   92.720 27.36353 133.6556 
1 1 1   19    5    4 o  159.895   70.218  -0.0383   0.1989  -0.2743   0.2864   0.1817   0.2764  161.233   75.745  231.771   90.179 -70.53786 117.7696 
1 1 1   19    5    5 o  1152.82   44.193   6.2208   0.4688   6.2372   0.6047   6.1960   0.7421  1147.71   57.263  1133.01   71.548 14.69922 91.64117 
1 1 1   19    5    6 o  1416.54   39.503   9.3770   0.5149   10.196   0.7451   8.6289   0.7123  1466.30   55.225  1347.29   57.460 119.0092 79.69613 
1 1 1   19    5    7 o  749.067   56.346   2.6856   0.3855   2.6391   0.4433   2.8299   0.7812  737.267   66.037  721.683  121.994 15.58392 138.7208 
1 1 1   19    5    8 o  352.535   87.896   0.6458   0.2841   0.8121   0.3319   0.1894   0.5498  393.690   93.082  283.844  120.623 109.8458 152.3621 
1 1 1   19    5    9 o  1008.32   45.329   4.7939   0.4206   5.1003   0.5873   4.4714   0.6025  1027.33   62.428  956.696   68.904 70.63092 92.97837 
1 1 1   19    5   10 o  711.996   65.751   2.4733   0.4259   2.0826   0.6986   2.7043   0.5373  606.436  129.156  734.427   80.843 -127.9915 152.3706 
1 1 1   19    5   11 o  447.139   85.190   1.0266   0.3377   0.7881   0.4046   1.5745   0.6132  380.268  109.614  526.040  127.925 -145.7719 168.4635 
1 1 1   19    5   12 o  1127.35   55.346   6.0572   0.5741   5.6457   0.6878   7.0032   1.0427  1075.51   69.876  1167.05   98.008 -91.53613 120.3669 
1 1 1   19    5   13 o  752.875   55.040   2.7066   0.3787   3.2798   0.5266   2.0932   0.5448  819.893   70.490  638.525   95.678 181.3680 118.8407 
1 1 1   19    5   14 o  190.068   82.923  -0.0155   0.2734  -0.3975   0.3554   0.5377   0.4277  171.234   81.598  326.802  114.816 -155.5688 140.8583 
1 1 1   19    5   15 o  751.430   60.727   2.7262   0.4163   3.1304   0.5616   2.2331   0.6203  793.904   77.876  648.329  107.757 145.5757 132.9514 
1 1 1   19    5   16 o  338.668  111.146   0.6233   0.4002   0.8852   0.5837   0.3910   0.5497  389.789  134.282  306.803  124.582 82.98575 183.1733 
1 1 1   19    5   17 o  185.354   85.752  -0.1846   0.3452   0.3122   0.4727  -0.7522   0.5052  279.019  114.663  183.159   89.625 95.85983 145.5347 
1 1 1   19    5   18 f  367.451  110.176   0.8160   0.4020   0.4310   0.5389   1.2993   0.6037  293.521  121.704  436.982  135.806 -143.4612 182.3596 
1 1 1   19    5   19 o  221.869  106.559  -0.3349   0.6324  -0.3349   0.6324   0.0000   0.0000  221.869  106.559  ?   ?  0.000000 106.5594 
1 1 1   19    7    0 f  341.257   77.905   0.5739   0.2392   0.1550   0.3264   1.0605   0.3517  241.354   96.700  464.595   85.424 -223.2411 129.0278 
1 1 1   19    7    1 o  663.162   48.616   2.0622   0.2946   1.9935   0.3976   2.1458   0.4386  646.232   67.881  669.077   72.401 -22.84454 99.24612 
1 1 1   19    7    2 o  798.115   45.397   2.9801   0.3320   2.9677   0.4537   2.9945   0.4872  790.472   62.894  792.215   67.475 -1.742798 92.24187 
1 1 1   19    7    3 o  491.809   52.113   1.1475   0.2322   0.9298   0.3478   1.3228   0.3120  429.223   90.884  523.866   66.204 -94.64294 112.4412 
1 1 1   19    7    4 o  564.003   50.649   1.5070   0.2601   1.0841   0.3666   1.9353   0.3690  463.327   89.221  634.592   64.064 -171.2646 109.8391 
1 1 1   19    7    5 o  391.755   64.745   0.7515   0.2252   0.4585   0.3034   1.1111   0.3361  302.317   96.594  471.560   80.345 -169.2436 125.6409 
1 1 1   19    7    6 o  649.317   48.117   1.9977   0.2854   1.7568   0.3867   2.2860   0.4231  598.202   71.684  685.337   67.986 -87.13513 98.79583 
1 1 1   19    7    7 o  289.894   84.238   0.4291   0.2381   0.1044   0.2925   1.0660   0.4097  216.670   89.740  448.264  101.663 -231.5943 135.6051 
1 1 1   19    7    8 o  312.398   96.946   0.5070   0.3078   0.7228   0.3514  -0.2037   0.6378  368.101  100.791  258.457  118.477 109.6438 155.5498 
1 1 1   19    7    9 o  504.544   65.899   1.2501   0.2986   1.4304   0.3951   1.0098   0.4562  530.641   83.686  427.962  113.848 102.6792 141.2962 
1 1 1   19    7   10 o  1047.10   44.999   5.1701   0.4336   5.3030   0.5727   4.9917   0.6637  1049.48   59.548  1007.85   72.036 41.62628 93.46190 
1 1 1   19    7   11 o  617.602   66.983   1.8678   0.3746   1.5723   0.5455   2.1314   0.5152  536.862  113.946  646.107   89.026 -109.2455 144.6008 
1 1 1   19    7   12 o  309.192   93.485   0.4938   0.2886   0.8077   0.3830   0.0816   0.4388  388.224  104.783  248.577  106.748 139.6467 149.5819 
1 1 1   19    7   13 o  1036.84   48.436   5.0713   0.4621   5.1468   0.5936   4.9552   0.7362  1034.31   62.667  1000.71   80.637 33.60596 102.1247 
1 1 1   19    7   14 o  768.316   57.623   2.8300   0.4044   2.7201   0.5250   2.9904   0.6343  740.895   78.182  767.295   91.651 -26.39941 120.4669 
1 1 1   19    7   15 o  493.994  106.602   1.3153   0.4703   1.2952   0.6050   1.3460   0.7478  471.512  133.437  467.624  151.865 3.888916 202.1599 
1 1 1   19    7   16 o  224.878  102.000  -0.1101   0.4569  -0.1101   0.4569   0.0000   0.0000  224.878  102.000  ?   ?  0.000000 102.0004 
1 1 1   19    7   17 f  275.764  107.652   0.3612   0.3949   0.4216   0.4676   0.2107   0.7379  293.395  116.330  296.204  132.371 -2.808685 176.2240 
1 1 1   19    7   18 o  440.751  111.090   1.1854   0.4504   1.0761   0.5028   1.6295   1.0132  405.142  123.604  419.254  169.525 -14.11227 209.8015 
1 1 1   19    7   19 o  186.881   88.001  -0.1897   0.3905  -0.1003   0.5038  -0.3243   0.6181  216.673  101.367  217.902  104.833 -1.228592 145.8257 
1 1 1   19    9    0 o  1174.00   36.133   6.3943   0.3903   5.9861   0.5494   6.8104   0.5547  1130.59   52.807  1207.05   49.942 -76.45496 72.68237 
1 1 1   19    9    1 o  185.517   71.598   0.1124   0.1732   0.2300   0.2943   0.0502   0.2141  247.514   93.875  184.341   76.600 63.17337 121.1614 
1 1 1   19    9    2 o  564.974   45.981   1.5021   0.2370   1.8391   0.3719   1.2718   0.3075  618.531   66.386  513.117   66.694 105.4141 94.10168 
1 1 1   19    9    3 o  967.550   38.361   4.3619   0.3415   3.9020   0.4915   4.7912   0.4749  905.495   59.319  1007.83   51.382 -102.3301 78.47801 
1 1 1   19    9    4 o  820.349   41.977   3.1563   0.3158   3.0454   0.4467   3.2671   0.4465  797.223   61.362  827.074   59.064 -29.85083 85.16960 
1 1 1   19    9    5 o  789.959   43.013   2.9350   0.3115   2.8796   0.4296   2.9963   0.4523  774.141   60.798  788.634   62.845 -14.49390 87.44079 
1 1 1   19    9    6 o  265.332   81.002   0.3527   0.2159   0.3591   0.2835   0.3439   0.3330  272.555   93.608  274.920  100.709 -2.364319 137.4945 
1 1 1   19    9    7 o  571.476   54.557   1.5675   0.2834   1.3390   0.3766   1.8658   0.4303  514.513   82.324  611.356   78.295 -96.84259 113.6109 
1 1 1   19    9    8 o  360.150   79.781   0.6637   0.2574   0.7531   0.3424   0.5475   0.3905  376.505   97.909  324.560  109.866 51.94519 147.1621 
1 1 1   19    9    9 o  280.030   99.910   0.3762   0.3250   0.6548   0.3766  -0.4375   0.6436  349.190  107.050  240.333  113.112 108.8580 155.7370 
1 1 1   19    9   10 o  1033.83   43.335   5.0304   0.4122   4.9947   0.5241   5.0883   0.6677  1021.17   55.987  1018.03   71.733 3.139587 90.99519 
1 1 1   19    9   11 o  690.215   55.013   2.2825   0.3465   2.4747   0.4457   1.9888   0.5509  711.005   68.992  616.642  100.554 94.36230 121.9467 
1 1 1   19    9   12 o  320.884  109.735   0.5229   0.3896   0.6162   0.4796   0.3419   0.6678  345.439  121.564  322.230  134.699 23.20834 181.4428 
1 1 1   19    9   13 o  601.504   68.878   1.7693   0.3744   1.8338   0.4285   1.5616   0.7691  607.297   78.526  510.532  152.236 96.76541 171.2952 
1 1 1   19    9   14 o  567.119   84.796   1.6290   0.4289   1.3010   0.5826   2.0171   0.6338  478.057  129.315  608.700  117.411 -130.6429 174.6649 
1 1 1   19    9   15 o  811.900   59.073   3.1876   0.4383   4.0170   0.5960   2.2111   0.6467  901.156   72.494  634.356  115.034 266.8005 135.9716 
1 1 1   19    9   16 o  297.522  102.836   0.4681   0.3425   0.5869   0.4569   0.3157   0.5174  327.040  118.243  286.993  119.143 40.04675 167.8581 
1 1 1   19    9   17 o  180.980   86.131  -0.3427   0.3933  -0.6221   0.4602   0.4149   0.7578  177.590   86.604  311.578  136.942 -133.9881 162.0286 
1 1 1   19    9   18 o  255.230  104.759   0.3104   0.3939  -0.1597   0.5025   1.0598   0.6344  215.872  101.071  374.156  138.671 -158.2835 171.5954 
1 1 1   19    9   19 o  215.408   97.927   0.0466   0.4242   0.3949   0.5672  -0.3952   0.6389  268.828  118.305  213.548  103.663 55.28046 157.2962 
1 1 1   19   11    0 o  252.646   84.791   0.2969   0.2325   0.2484   0.2471   0.6721   0.6877  241.519   87.013  380.320  143.674 -138.8005 167.9689 
1 1 1   19   11    1 o  277.067   89.100   0.3730   0.2579   0.4093   0.2738   0.0874   0.7675  288.665   91.701  317.361  138.689 -28.69623 166.2641 
1 1 1   19   11    2 o  485.834   46.460   1.1166   0.2052   1.2724   0.3252   1.0135   0.2645  510.119   71.217  456.798   64.726 53.32071 96.23606 
1 1 1   19   11    3 o  631.907   43.250   1.8790   0.2500   2.4298   0.3830   1.4703   0.3299  712.503   58.947  550.051   66.537 162.4518 88.89323 
1 1 1   19   11    4 o  380.093   61.472   0.7064   0.2077   0.5955   0.2959   0.8141   0.2915  338.877   92.372  400.572   81.841 -61.69458 123.4120 
1 1 1   19   11    5 o  523.044   49.656   1.3039   0.2361   1.2514   0.3062   1.3810   0.3709  505.030   67.576  525.157   79.229 -20.12631 104.1330 
1 1 1   19   11    6 o  175.215   71.692   0.0678   0.1838   0.1524   0.2331  -0.0711   0.2987  210.885   82.599  189.240   84.422 21.64552 118.1087 
1 1 1   19   11    7 o  776.899   43.151   2.8467   0.3073   2.9863   0.3774   2.5723   0.5292  791.383   52.117  716.207   81.764 75.17615 96.96186 
1 1 1   19   11    8 o  241.221   89.840   0.2485   0.2669   0.4536   0.2944  -0.6990   0.6328  297.343   95.160  220.501  106.080 76.84277 142.5071 
1 1 1   19   11    9 o  997.799   49.703   4.7191   0.4563   4.5673   0.5025   5.4337   1.0902  976.243   56.173  997.254  121.307 -21.01172 133.6816 
1 1 1   19   11   10 o  347.715   99.919   0.6416   0.3367   0.5776   0.3831   0.8585   0.7052  331.456  108.753  392.816  146.080 -61.36023 182.1169 
1 1 1   19   11   11 o  605.372   56.875   1.7609   0.3131   1.4596   0.3726   2.4851   0.5776  541.197   76.992  698.085   92.171 -156.8880 120.0968 
1 1 1   19   11   12 o  682.572   67.869   2.2690   0.4206   1.9936   0.5994   2.5363   0.5904  612.978  110.322  705.651   93.210 -92.67279 144.4266 
1 1 1   19   11   13 f  179.975   83.731  -0.2437   0.3361   0.1188   0.4783  -0.5973   0.4725  262.234  111.998  189.505   91.293 72.72894 144.4921 
1 1 1   19   11   14 o  1417.95   46.954   9.5065   0.6126   10.162   0.7974   8.5627   0.9571  1454.08   59.595  1311.07   79.715 143.0045 99.52969 
1 1 1   19   11   15 o  341.850  105.689   0.6419   0.3662   0.3289   0.4498   1.2571   0.6306  282.728  113.435  452.070  138.511 -169.3419 179.0324 
1 1 1   19   11   16 o  312.584  113.088   0.5413   0.4180   0.3610   0.4806   1.1016   0.8471  285.152  116.222  397.738  156.936 -112.5857 195.2862 
1 1 1   19   11   17 o  205.705   93.959  -0.0766   0.3964  -0.0851   0.5380  -0.0665   0.5862  232.560  107.405  241.977  111.879 -9.417603 155.0892 
1 1 1   19   11   18 o  285.586  111.750   0.5060   0.4264   0.3986   0.5428   0.6790   0.6889  273.873  118.173  310.019  133.452 -36.14578 178.2539 
1 1 1   19   13    0 o  264.924  112.552   0.1109   0.4785  -0.0582   0.6342   0.3344   0.7290  277.173  123.375  335.598  140.549 -58.42517 187.0173 
1 1 1   19   13    1 o  320.618  124.270   0.4363   0.5234  -0.0449   0.7289   0.9485   0.7520  294.601  131.617  417.681  151.594 -123.0794 200.7575 
1 1 1   19   13    2 o  212.117   76.706   0.1906   0.1923   0.1795   0.1995   0.3365   0.7230  210.519   77.808  331.351  139.428 -120.8321 159.6691 
1 1 1   19   13    3 o  429.854   53.804   0.8887   0.2082   0.9765   0.2157  -0.2981   0.7933  451.149   52.970  281.827  130.249 169.3223 140.6085 
1 1 1   19   13    4 o  212.792   73.598   0.2056   0.1754   0.2517   0.1819  -0.4050   0.6619  229.222   74.929  248.326  116.180 -19.10437 138.2466 
1 1 1   19   13    5 o  118.151   55.877  -0.1747   0.1606  -0.3442   0.1915   0.2259   0.2945  113.423   55.433  241.879   93.366 -128.4561 108.5821 
1 1 1   19   13    6 f  553.210   48.715   1.4577   0.2455   1.4924   0.3018   1.3900   0.4219  555.001   60.048  518.832   91.732 36.16913 109.6378 
1 1 1   19   13    7 o  1105.63   38.450   5.7245   0.3912   5.1039   0.4737   7.0546   0.6935  1037.96   49.599  1208.66   62.572 -170.6986 79.84602 
1 1 1   19   13    8 o  199.718   80.649   0.1110   0.2290   0.1784   0.2793  -0.0272   0.3999  227.688   90.026  223.794   98.871 3.893860 133.7168 
1 1 1   19   13    9 o  395.499   77.294   0.7921   0.2712   0.7278   0.3414   0.9022   0.4465  370.196   98.494  404.978  114.649 -34.78201 151.1471 
1 1 1   19   13   10 o  455.082   91.315   1.0710   0.3691   1.1927   0.4194   0.6527   0.7773  476.675   98.857  370.638  148.969 106.0371 178.7866 
1 1 1   19   13   11 o  163.978   75.777  -0.1821   0.2684  -0.2020   0.3233  -0.1379   0.4815  180.757   83.402  232.606  105.184 -51.84944 134.2364 
1 1 1   19   13   12 o  601.153   75.584   1.7902   0.4089   1.4745   0.5612   2.1471   0.5968  517.886  120.106  639.557  105.063 -121.6711 159.5738 
1 1 1   19   13   13 o  631.137   73.943   1.9754   0.4213   2.4531   0.6616   1.6496   0.5464  676.978  109.980  551.822  111.444 125.1564 156.5737 
1 1 1   19   13   14 o  1191.57   47.323   6.7375   0.5189   7.1969   0.7009   6.1806   0.7717  1216.13   62.853  1113.12   75.796 103.0088 98.46598 
1 1 1   19   13   15 o  299.036  108.534   0.4719   0.3855   0.5799   0.4791   0.2737   0.6490  324.455  120.458  295.836  128.432 28.61816 176.0824 
1 1 1   19   13   16 o  879.705   57.496   3.8215   0.4629   3.5512   0.6293   4.1401   0.6832  816.004   85.060  881.014   85.342 -65.01013 120.4922 
1 1 1   19   13   17 o  208.151   92.156   0.0548   0.3492   0.2039   0.4650  -0.1380   0.5288  246.633  107.864  221.159  103.589 25.47487 149.5504 
1 1 1   19   13   18 o  171.527   82.145  -0.2830   0.3698  -0.5608   0.5032   0.0434   0.5455  181.009   88.754  230.897  107.166 -49.88815 139.1471 
1 1 1   19   15    0 o  506.139  131.452   1.4308   0.6177   1.5496   0.8560   1.3018   0.8922  506.602  162.279  467.846  165.674 38.75592 231.9099 
1 1 1   19   15    1 o  283.261  122.501   0.1102   0.5859  -0.3531   0.7407   0.8849   0.9579  269.015  124.865  413.536  165.669 -144.5211 207.4545 
1 1 1   19   15    2 o  271.140  116.198   0.1208   0.5181   0.8215   0.7478  -0.5258   0.7184  393.551  149.548  251.669  118.767 141.8822 190.9715 
1 1 1   19   15    3 o  761.933   37.268   2.7124   0.2613   2.8647   0.2720   0.8835   0.9424  782.878   37.751  408.571  164.095 374.3073 168.3813 
1 1 1   19   15    4 o  1112.05   31.352   5.7537   0.3208   6.0212   0.3964   5.2458   0.5462  1134.66   37.966  1047.17   56.897 87.49609 68.40107 
1 1 1   19   15    5 o  223.574   74.496   0.2370   0.1795   0.3157   0.2230   0.0921   0.3026  253.770   82.955  216.827   90.657 36.94391 122.8833 
1 1 1   19   15    6 o  564.360   48.257   1.5161   0.2482   1.3796   0.3035   1.7917   0.4312  531.840   63.257  597.249   80.519 -65.40906 102.3954 
1 1 1   19   15    7 o  584.646   51.869   1.6346   0.2761   1.4376   0.3356   2.0475   0.4859  540.159   69.106  635.954   85.172 -95.79559 109.6812 
1 1 1   19   15    8 o  354.658   76.456   0.6384   0.2422   0.7386   0.3170   0.4979   0.3752  375.556   92.375  313.189  107.678 62.36713 141.8721 
1 1 1   19   15    9 o  248.996   88.375   0.2838   0.2540   0.1227   0.3164   0.5758   0.4260  226.498   93.527  334.035  114.741 -107.5372 148.0303 
1 1 1   19   15   10 o  336.766  106.495   0.5929   0.3696   0.9964   0.4956   0.0875   0.5547  425.168  120.927  273.958  118.833 151.2103 169.5423 
1 1 1   19   15   11 o  431.118   85.394   0.9500   0.3268   0.8604   0.4630   1.0390   0.4613  396.390  118.089  436.756  113.682 -40.36578 163.9169 
1 1 1   19   15   12 f  220.193   88.736   0.1460   0.2766   0.0230   0.3599   0.3233   0.4323  220.460   95.674  283.936  112.084 -63.47620 147.3642 
1 1 1   19   15   13 o  498.671   91.788   1.3036   0.4057   0.6727   0.5436   2.0963   0.6094  351.453  128.686  619.338  111.004 -267.8851 169.9471 
1 1 1   19   15   14 o  458.786   92.620   1.1304   0.3775   1.5602   0.4913   0.5107   0.5899  531.548  104.175  321.149  129.533 210.3993 166.2264 
1 1 1   19   15   15 o  648.023   70.851   2.1443   0.4156   2.4880   0.5658   1.7416   0.6124  675.162   93.592  527.320  127.597 147.8416 158.2417 
1 1 1   19   15   16 o  176.897   82.870  -0.1923   0.3387  -0.2642   0.4641  -0.1105   0.4953  200.137   94.756  219.576  101.981 -19.43933 139.2079 
1 1 1   19   15   17 o  620.806   80.423   2.1465   0.4486   2.7403   0.6358   1.5578   0.6330  658.848  108.672  439.997  139.404 218.8515 176.7569 
1 1 1   19   17    0 o  356.258  132.008   0.6350   0.5749   1.3884   0.8471  -0.0080   0.7827  479.448  161.828  304.353  136.149 175.0950 211.4822 
1 1 1   19   17    1 o  196.339   95.523  -0.8097   0.5507  -1.2553   0.7378  -0.2492   0.8274  215.161  105.891  291.058  133.980 -75.89699 170.7737 
1 1 1   19   17    2 o  336.088  131.706   0.5107   0.5929  -0.2772   0.7962   1.4910   0.8882  282.953  130.672  489.046  165.706 -206.0927 211.0304 
1 1 1   19   17    3 o  724.560   37.093   2.4592   0.2465   2.5163   0.2539   1.5285   1.0254  732.692   37.791  486.162  176.933 246.5306 180.9237 
1 1 1   19   17    4 o  700.164   42.985   2.3119   0.2756   2.3298   0.2856   2.0698   1.0486  702.307   44.429  556.171  179.757 146.1354 185.1660 
1 1 1   19   17    5 o  195.491   76.373   0.1286   0.1989   0.0711   0.2186   0.4043   0.4789  187.841   77.673  304.940  118.679 -117.0984 141.8367 
1 1 1   19   17    6 o  260.921   74.305   0.3428   0.1870   0.2782   0.2472   0.4293   0.2859  246.069   87.198  291.046   93.847 -44.97745 128.1045 
1 1 1   19   17    7 o  223.618   79.327   0.2232   0.2046   0.0767   0.2873   0.3742   0.2915  210.124   88.126  277.167   94.930 -67.04247 129.5295 
1 1 1   19   17    8 o  448.966   63.981   0.9852   0.2568   0.8692   0.3405   1.1382   0.3912  409.029   92.628  468.845   93.946 -59.81702 131.9314 
1 1 1   19   17    9 o  915.125   44.539   3.9357   0.3751   3.8144   0.5483   4.0424   0.5142  886.602   67.715  917.100   61.284 -30.49847 91.32935 
1 1 1   19   17   10 o  176.506   78.765  -0.0704   0.2602  -0.2410   0.3531   0.1323   0.3850  185.684   86.197  244.380  102.224 -58.69603 133.7147 
1 1 1   19   17   11 o  228.820   96.117   0.1052   0.3426   0.4007   0.4310  -0.4021   0.5647  297.384  113.408  225.959  106.221 71.42531 155.3843 
1 1 1   19   17   12 o  760.295   55.767   2.7871   0.3874   2.8040   0.5283   2.7674   0.5698  746.717   78.046  735.438   85.814 11.27948 115.9964 
1 1 1   19   17   13 f  328.491  118.037   0.5986   0.4544   0.6613   0.6077   0.5191   0.6845  344.171  133.766  329.197  136.881 14.97476 191.3894 
1 1 1   19   17   14 o  306.109  103.834   0.5293   0.3488   0.7850   0.4665   0.2052   0.5252  357.630  120.092  265.924  115.488 91.70654 166.6121 
1 1 1   19   17   15 o  250.601  100.193   0.3018   0.3496  -0.3791   0.4608   1.2255   0.5367  190.886   91.487  424.914  127.268 -234.0285 156.7388 
1 1 1   19   17   16 o  270.521  107.311   0.4380   0.3980   0.8144   0.5422  -0.0020   0.5863  329.526  126.828  235.236  109.819 94.29027 167.7663 
1 1 1   19   19    0 o  408.978  143.922   0.9313   0.6723   1.1849   0.9613   0.6885   0.9405  448.533  169.771  390.032  161.169 58.50098 234.0890 
1 1 1   19   19    1 o  614.974  134.348   2.1306   0.7390   2.3868   1.0166   1.8434   1.0761  613.442  172.749  528.806  182.317 84.63538 251.1607 
1 1 1   19   19    2 o  250.548  113.863  -0.1615   0.5728  -0.1381   0.7186  -0.2023   0.9486  280.753  127.569  311.646  143.457 -30.89313 191.9734 
1 1 1   19   19    3 o  318.935   53.104   0.4944   0.1504   0.3989   0.1805   0.7106   0.2717  281.509   69.993  373.120   81.423 -91.61108 107.3721 
1 1 1   19   19    4 o  424.383   51.248   0.8641   0.1961   0.7454   0.2341   1.1430   0.3589  387.723   68.101  473.771   85.469 -86.04825 109.2826 
1 1 1   19   19    5 o  400.791   63.283   0.7878   0.2256   0.5916   0.2644   1.3139   0.4330  339.046   84.921  502.451   97.173 -163.4042 129.0509 
1 1 1   19   19    6 o  1108.10   41.581   5.7546   0.4240   5.5425   0.5211   6.1702   0.7293  1081.71   52.350  1126.22   70.737 -44.51172 88.00134 
1 1 1   19   19    7 o  199.585   83.380   0.0676   0.2557   0.0611   0.3082   0.0821   0.4579  213.879   90.572  253.979  109.051 -40.10025 141.7581 
1 1 1   19   19    8 o  872.290   48.756   3.6016   0.3898   4.1022   0.4860   2.6991   0.6525  926.255   57.303  722.303  100.935 203.9515 116.0673 
1 1 1   19   19    9 o  561.063   58.825   1.5205   0.2992   1.4327   0.4053   1.6256   0.4435  530.788   85.911  564.614   88.259 -33.82593 123.1677 
1 1 1   19   19   10 o  166.150   75.881  -0.1310   0.2584   0.3705   0.3550  -0.6958   0.3768  281.484  103.854  154.372   75.916 127.1121 128.6423 
1 1 1   19   19   11 o  944.553   64.901   4.3704   0.5607   4.4655   0.6629   4.1313   1.0510  943.315   77.037  830.837  142.614 112.4774 162.0909 
1 1 1   19   19   12 o  778.328   58.823   2.9643   0.4182   3.0923   0.5415   2.7752   0.6581  779.423   76.494  711.150  103.619 68.27332 128.7952 
1 1 1   19   19   13 o  263.507  109.171   0.2836   0.4331   0.9432   0.6042  -0.4138   0.6212  376.380  135.994  225.164  107.457 151.2153 173.3250 
1 1 1   19   19   14 o  264.633  102.224   0.3748   0.3532   0.4226   0.4760   0.3163   0.5270  280.853  115.201  270.195  116.513 10.65775 163.8492 
1 1 1   19   19   15 o  324.119  107.687   0.6923   0.3752   0.4747   0.5040   0.9629   0.5619  278.761  116.812  351.531  130.465 -72.77014 175.1182 
1 1 1   19   21    0 o  667.813   41.641   2.0957   0.2546   2.1551   0.3349   2.0143   0.3919  672.268   54.616  644.081   67.108 28.18762 86.52383 
1 1 1   19   21    1 o  374.000   49.944   0.6707   0.1676   0.6059   0.2004   0.8217   0.3057  350.542   64.500  401.305   85.401 -50.76382 107.0217 
1 1 1   19   21    2 o  544.532   47.828   1.4065   0.2372   1.3093   0.3194   1.5260   0.3542  517.043   68.848  557.961   70.574 -40.91760 98.59318 
1 1 1   19   21    3 o  954.254   34.723   4.2417   0.3049   4.1681   0.3700   4.3974   0.5383  943.002   42.637  957.439   61.421 -14.43713 74.76923 
1 1 1   19   21    4 o  505.109   53.779   1.2210   0.2461   1.1751   0.2965   1.3226   0.4412  490.089   67.555  504.984   98.477 -14.89526 119.4208 
1 1 1   19   21    5 o  427.651   72.335   0.9073   0.2745   0.8613   0.3383   0.9960   0.4695  408.022   92.278  428.280  116.190 -20.25790 148.3757 
1 1 1   19   21    6 o  596.497   57.569   1.7088   0.3121   1.8939   0.3824   1.3396   0.5400  623.377   67.749  494.472  119.918 128.9049 137.7330 
1 1 1   19   21    7 o  384.364   84.903   0.7589   0.2923   0.8741   0.3532   0.5088   0.5205  408.193   95.700  328.233  124.758 79.95987 157.2356 
1 1 1   19   21    8 o  257.733   94.976   0.2969   0.2968   0.2013   0.3498   0.5428   0.5608  247.462   99.767  334.968  128.972 -87.50587 163.0560 
1 1 1   19   21    9 f  572.815   76.728   1.6510   0.3943   1.4531   0.4441   2.3879   0.8568  525.034   95.433  621.339  151.270 -96.30499 178.8584 
1 1 1   19   21   10 o  354.461  105.713   0.6997   0.3709   0.3364   0.4121   2.2470   0.8505  277.686  109.494  586.457  155.189 -308.7710 189.9283 
1 1 1   19   21   11 o  705.834   81.874   2.5920   0.5219   2.7069   0.6358   2.3549   0.9137  700.938  101.532  570.894  164.776 130.0435 193.5456 
1 1 1   19   21   12 o  313.270  110.181   0.5780   0.3940   0.5554   0.4818   0.6234   0.6844  309.368  119.417  325.166  136.182 -15.79803 181.1236 
1 1 1   19   21   13 o  269.039  112.950   0.3616   0.4727   0.9683   0.6881  -0.1804   0.6505  353.505  140.821  236.568  112.054 116.9374 179.9625 
1 1 1   19   21   14 o  504.682   96.213   1.5337   0.4305   1.8554   0.5918   1.1722   0.6274  510.344  126.629  372.030  137.894 138.3140 187.2159 
1 1 1   19   21   15 o  192.141   95.580  -0.7948   0.6626  -2.5488   1.0352   0.4225   0.8624  190.055   97.195  270.837  128.499 -80.78264 161.1178 
1 1 1   19   23    0 o  807.905   44.554   3.0675   0.3299   2.8289   0.4171   3.4662   0.5392  769.487   59.373  846.391   69.858 -76.90460 91.68068 
1 1 1   19   23    1 o  468.728   60.863   1.0621   0.2563   1.0629   0.3190   1.0607   0.4306  462.191   77.763  448.743  105.973 13.44839 131.4432 
1 1 1   19   23    2 o  377.662   81.541   0.7222   0.2751   0.8622   0.3805   0.5689   0.3982  405.144  102.094  333.873  110.929 71.27155 150.7595 
1 1 1   19   23    3 o  503.527   70.966   1.2461   0.3197   1.0756   0.4612   1.4038   0.4435  447.572  112.201  522.320   95.811 -74.74829 147.5429 
1 1 1   19   23    4 o  884.211   41.848   3.6641   0.3405   3.5573   0.4103   3.9004   0.6102  865.639   51.749  891.796   75.055 -26.15710 91.16591 
1 1 1   19   23    5 o  803.807   46.521   3.0547   0.3426   2.9286   0.4111   3.3417   0.6200  781.434   57.575  817.308   83.618 -35.87421 101.5233 
1 1 1   19   23    6 o  927.719   53.552   4.1103   0.4552   5.0784   0.6328   3.0720   0.6553  1020.55   67.768  772.641   94.121 247.9131 115.9800 
1 1 1   19   23    7 o  709.722   60.183   2.4443   0.3893   2.4710   0.4621   2.3792   0.7226  705.772   72.175  648.184  125.696 57.58722 144.9440 
1 1 1   19   23    8 o  385.773   98.712   0.8119   0.3518   0.6722   0.3992   1.2976   0.7446  347.375  110.776  446.800  151.713 -99.42517 187.8514 
1 1 1   19   23    9 o  885.703   57.026   3.8250   0.4623   3.8901   0.5631   3.6902   0.8097  880.838   70.049  809.799  111.636 71.03876 131.7936 
1 1 1   19   23   10 o  365.730  108.024   0.7899   0.3887   0.7484   0.4659   0.8849   0.7049  349.485  119.996  364.213  143.334 -14.72800 186.9328 
1 1 1   19   23   11 o  306.570  115.938   0.5686   0.4481   1.1815   0.5873  -0.2852   0.6932  408.643  134.674  239.602  114.115 169.0410 176.5200 
1 1 1   19   23   12 f  542.528   94.424   1.7186   0.4543   1.5315   0.5459   2.1400   0.8191  472.007  124.057  492.833  158.836 -20.82556 201.5415 
1 1 1   19   23   13 o  290.139  124.960   0.6099   0.6046   0.7856   0.6892   0.0225   1.2600  307.897  133.006  273.600  135.351 34.29642 189.7639 
1 1 1   19   25    0 o  496.667   68.934   1.2079   0.3065   1.4186   0.3821   0.8273   0.5135  533.562   80.320  391.193  125.720 142.3694 149.1871 
1 1 1   19   25    1 o  666.914   57.673   2.1317   0.3504   2.5417   0.4581   1.5535   0.5441  722.172   69.811  538.452  113.394 183.7201 133.1612 
1 1 1   19   25    2 o  645.909   64.910   2.0261   0.3806   3.0015   0.5373   1.0440   0.5391  780.267   75.789  431.465  127.160 348.8019 148.0328 
1 1 1   19   25    3 o  350.441  104.279   0.6551   0.3612   0.9887   0.5026   0.2987   0.5194  420.151  122.474  293.699  120.390 126.4525 171.7370 
1 1 1   19   25    4 o  684.662   71.535   2.3166   0.4440   1.8312   0.6119   2.8565   0.6453  573.903  119.738  740.859   96.994 -166.9564 154.0938 
1 1 1   19   25    5 o  438.684  104.313   1.0512   0.4149   1.0134   0.5659   1.0952   0.6101  414.161  131.867  426.696  137.038 -12.53479 190.1801 
1 1 1   19   25    6 o  444.016   84.468   1.0303   0.3325   0.9419   0.3852   1.2887   0.6587  413.315  101.918  451.552  142.104 -38.23645 174.8738 
1 1 1   19   25    7 o  186.620   85.087  -0.1158   0.3232   0.2105   0.3934  -0.7934   0.5668  250.383  103.913  194.471   95.112 55.91139 140.8693 
1 1 1   19   25    8 o  312.625  107.320   0.5597   0.3727   0.2394   0.4612   1.1620   0.6325  261.350  110.742  413.067  139.836 -151.7172 178.3757 
1 1 1   19   25    9 o  411.453  102.215   0.9984   0.3853   0.9864   0.4569   1.0279   0.7166  393.787  117.315  371.452  145.009 22.33502 186.5218 
1 1 1   19   25   10 o  222.261  100.255   0.0473   0.4343   0.9912   0.5741  -1.2158   0.6641  364.520  132.428  184.764   92.489 179.7566 161.5280 
1 1 1   19   25   11 o  256.563  107.554   0.3605   0.4276  -0.0472   0.5009   1.4557   0.8210  217.826  101.631  378.124  152.706 -160.2975 183.4335 
1 1 1   19   25   12 o  252.827  124.095  -0.0617   0.9916  -0.0617   0.9916   0.0000   0.0000  252.827  124.095  ?   ?  0.000000 124.0948 
1 1 1   19   27    0 o  649.129   70.733   2.0786   0.4157   2.1017   0.4943   2.0228   0.7679  643.071   85.674  582.624  144.042 60.44757 167.5951 
1 1 1   19   27    1 o  313.942  104.931   0.5164   0.3561   0.5860   0.4312   0.3673   0.6315  332.141  115.362  314.576  131.199 17.56445 174.7040 
1 1 1   19   27    2 o  1027.70   58.185   5.1068   0.5480   4.8022   0.6964   5.6019   0.8879  977.865   78.049  1037.49   94.024 -59.62482 122.1970 
1 1 1   19   27    3 o  498.910  100.260   1.3523   0.4443   1.8557   0.6153   0.8040   0.6422  567.277  121.543  369.910  139.037 197.3667 184.6728 
1 1 1   19   27    4 o  468.880  108.620   1.2473   0.4594   1.5117   0.6580   0.9958   0.6418  486.298  139.681  395.380  140.461 90.91827 198.0909 
1 1 1   19   27    5 o  390.179  115.217   0.9112   0.4422   1.1365   0.6630   0.7307   0.5936  409.977  143.005  346.937  132.901 63.03931 195.2259 
1 1 1   19   27    6 o  525.932  103.800   1.5897   0.4845   1.7146   0.7057   1.4783   0.6663  493.565  145.497  459.346  142.659 34.21915 203.7668 
1 1 1   19   27    7 o  259.794  110.750   0.2732   0.4662   0.2872   0.6685   0.2599   0.6504  281.348  125.846  277.117  124.028 4.230774 176.6922 
1 1 1   19   27    8 o  469.215   96.715   1.2995   0.4037   0.9445   0.4872   2.0772   0.7211  367.182  122.732  520.666  145.090 -153.4840 190.0372 
1 1 1   19   27    9 o  579.704   91.778   1.9761   0.4733   1.8037   0.5734   2.3445   0.8382  506.678  123.998  499.671  160.633 7.007385 202.9249 
1 1 1   19   27   10 o  235.748  120.219  -1.8872   1.4882   0.0000   0.0000  -1.8872   1.4882  ?   ?   235.748  120.219 0.000000 120.2193 
1 1 1   19   29    0 o  256.677  103.363   0.2641   0.3750  -0.1303   0.4606   1.0394   0.6458  220.278  100.867  400.987  141.067 -180.7091 173.4188 
1 1 1   19   29    1 o  331.526  113.545   0.6361   0.4171   1.0985   0.5443  -0.0214   0.6491  417.635  128.815  263.150  120.214 154.4859 176.1949 
1 1 1   19   29    2 o  237.294  102.256   0.1333   0.4053  -0.3487   0.5240   0.8514   0.6396  211.463  100.280  361.254  138.063 -149.7910 170.6384 
1 1 1   19   29    3 o  301.483  115.683   0.5178   0.4502   0.4962   0.6118   0.5432   0.6648  305.924  128.472  314.370  133.068 -8.445557 184.9655 
1 1 1   19   29    4 o  197.800   93.322  -0.2500   0.4430   0.0478   0.6633  -0.4898   0.5953  259.538  119.652  210.632  101.722 48.90630 157.0473 
1 1 1   19   29    5 o  358.775  124.921   0.9036   0.5058   1.1293   0.7476   0.7132   0.6868  367.772  146.697  319.588  135.264 48.18430 199.5406 
1 1 1   19   29    6 o  446.522  126.586   1.4277   0.5440   1.2923   0.8044   1.5419   0.7385  369.250  150.411  414.117  150.235 -44.86768 212.5883 
1 1 1   19   29    7 o  216.898  100.899  -0.0169   0.4879   0.7566   0.7993  -0.4764   0.6160  303.142  136.440  203.904   99.604 99.23810 168.9287 
1 1 1   19   31    0 o  467.968  116.761   1.3956   0.5011   1.3863   0.6222   1.4129   0.8457  434.482  138.259  400.749  157.223 33.73288 209.3673 
1 1 1   19   31    1 o  341.247  122.496   0.8020   0.4893   0.5454   0.6178   1.2339   0.8015  299.108  127.502  375.811  151.197 -76.70322 197.7808 
1 1 1   19   31    2 o  337.235  123.734   0.8142   0.5030   1.3621   0.6777   0.1424   0.7504  403.803  144.242  265.185  123.952 138.6183 190.1835 
1 1 1   19   31    3 o  364.733  130.337   1.0397   0.5534   1.3410   0.7465   0.6722   0.8245  379.030  147.993  302.939  137.253 76.09171 201.8424 
1 1 1   19   31    4 o  200.668   96.299  -0.2690   0.5142  -0.2225   0.7133  -0.3194   0.7417  229.951  111.123  227.730  110.811 2.220123 156.9317 
1 1 1   19   31    5 o  287.203  137.988   0.6492   1.0625   0.6492   1.0625   0.0000   0.0000  287.203  137.988  ?   ?  0.000000 137.9882 
1 1 1   20    0    0 o  325.432  131.523   0.6981   0.3848   0.6981   0.3848   0.6981   0.3848  325.432  131.523  325.432  131.523 0.000000 0.000000 
1 1 1   20    0    1 o  1805.39   54.053   15.156   0.8961   15.156   0.8961   15.156   0.8961  1805.39   54.053  1805.39   54.053 0.000000 0.000000 
1 1 1   20    0    2 f   84.293   61.405  -0.6209   0.2777  -0.6209   0.2777  -0.6209   0.2777   84.293   61.405   84.293   61.405 0.000000 0.000000 
1 1 1   20    0    3 o  568.014  139.090   1.7984   0.6297   1.7984   0.6297   1.7984   0.6297  568.014  139.090  568.014  139.090 0.000000 0.000000 
1 1 1   20    0    4 o  774.765  113.178   3.0495   0.7565   3.0495   0.7565   3.0495   0.7565  774.765  113.178  774.765  113.178 0.000000 0.000000 
1 1 1   20    0    5 f  132.214   88.557  -0.0950   0.3001  -0.0950   0.3001  -0.0950   0.3001  132.214   88.557  132.214   88.557 0.000000 0.000000 
1 1 1   20    0    6 o  228.598  119.216   0.3750   0.3276   0.3750   0.3276   0.3750   0.3276  228.598  119.216  228.598  119.216 0.000000 0.000000 
1 1 1   20    0    7 o  190.304  115.209   0.1897   0.3721   0.1897   0.3721   0.1897   0.3721  190.304  115.209  190.304  115.209 0.000000 0.000000 
1 1 1   20    0    8 o  665.399  111.196   2.3005   0.6237   2.3005   0.6237   2.3005   0.6237  665.399  111.196  665.399  111.196 0.000000 0.000000 
1 1 1   20    0    9 o  1210.49   61.928   6.9147   0.6857   6.9147   0.6857   6.9147   0.6857  1210.49   61.928  1210.49   61.928 0.000000 0.000000 
1 1 1   20    0   10 o  475.507  108.607   1.2322   0.4140   1.2322   0.4140   1.2322   0.4140  475.507  108.607  475.507  108.607 0.000000 0.000000 
1 1 1   20    0   11 o  2057.77   59.296   19.833   1.1206   19.833   1.1206   19.833   1.1206  2057.77   59.296  2057.77   59.296 0.000000 0.000000 
1 1 1   20    0   12 o  795.338   78.372   3.0639   0.5608   3.0639   0.5608   3.0639   0.5608  795.338   78.372  795.338   78.372 0.000000 0.000000 
1 1 1   20    0   13 o  799.219   81.336   3.0975   0.5840   3.0975   0.5840   3.0975   0.5840  799.219   81.336  799.219   81.336 0.000000 0.000000 
1 1 1   20    0   14 o  1123.70   74.399   6.0005   0.7615   6.0005   0.7615   6.0005   0.7615  1123.70   74.399  1123.70   74.399 0.000000 0.000000 
1 1 1   20    0   15 o  206.163  124.521   0.2249   0.4326   0.2249   0.4326   0.2249   0.4326  206.163  124.521  206.163  124.521 0.000000 0.000000 
1 1 1   20    0   16 o  147.869  102.068  -0.3150   0.4663  -0.3150   0.4663  -0.3150   0.4663  147.869  102.068  147.869  102.068 0.000000 0.000000 
1 1 1   20    0   17 o  513.237  154.751   1.6191   0.6373   1.6191   0.6373   1.6191   0.6373  513.237  154.751  513.237  154.751 0.000000 0.000000 
1 1 1   20    0   18 o  470.015  204.419   1.7586   0.9158   1.7586   0.9158   1.7586   0.9158  470.015  204.419  470.015  204.419 0.000000 0.000000 
1 1 1   20    0   19 o  146.226  102.662  -0.4545   0.5289  -0.4545   0.5289  -0.4545   0.5289  146.226  102.662  146.226  102.662 0.000000 0.000000 
1 1 1   20    2    0 o  1065.85   50.226   5.2905   0.4926   4.8433   0.8703   5.5014   0.5975  1000.09   95.742  1082.44   60.230 -82.34778 113.1113 
1 1 1   20    2    1 o  1180.50   47.360   6.4895   0.5145   8.2341   0.9660   5.7987   0.6078  1312.86   80.347  1110.48   59.704 202.3770 100.1012 
1 1 1   20    2    2 o  629.767   60.223   1.8812   0.3447   1.8497   0.4551   1.9235   0.5280  616.627   82.266  623.621   95.015 -6.994080 125.6800 
1 1 1   20    2    3 f  453.205   71.354   0.9997   0.2877   0.7372   0.3627   1.4452   0.4725  379.918  101.730  535.024   99.643 -155.1066 142.3998 
1 1 1   20    2    4 f  310.747   79.768   0.4843   0.2292   0.0550   0.3166   0.9573   0.3323  217.564   91.948  436.839   85.741 -219.2755 125.7215 
1 1 1   20    2    5 o  823.972   57.187   3.2316   0.4309   3.6942   0.5180   2.1930   0.7763  877.242   64.631  628.910  137.937 248.3314 152.3280 
1 1 1   20    2    6 o  213.068   86.227   0.1227   0.2624   0.5293   0.3434  -0.4469   0.4066  321.393  102.772  183.178   87.284 138.2153 134.8356 
1 1 1   20    2    7 o  766.651   48.325   2.7847   0.3392   2.6800   0.4796   2.8893   0.4797  739.657   71.357  770.050   68.408 -30.39301 98.85046 
1 1 1   20    2    8 o  252.378   87.053   0.3022   0.2453  -0.0937   0.3289   0.7985   0.3683  195.586   87.824  386.651  102.039 -191.0646 134.6293 
1 1 1   20    2    9 o  232.001   90.238   0.1999   0.2767   0.5977   0.5183   0.0414   0.3273  341.789  125.579  214.675   92.187 127.1142 155.7839 
1 1 1   20    2   10 o  525.951   66.439   1.3582   0.3144   0.9901   0.4164   1.8463   0.4795  427.884  106.237  600.328   89.535 -172.4435 138.9345 
1 1 1   20    2   11 o  1185.67   47.080   6.6402   0.5136   6.0009   0.6914   7.4275   0.7673  1109.87   68.029  1235.40   67.760 -125.5255 96.01756 
1 1 1   20    2   12 o  356.316   84.982   0.6544   0.2747   0.4061   0.3736   0.9467   0.4053  293.354  106.794  420.363  105.079 -127.0084 149.8217 
1 1 1   20    2   13 o  391.911   87.200   0.7893   0.3064   1.2575   0.4475   0.3762   0.4203  488.814  102.745  294.324  112.052 194.4896 152.0267 
1 1 1   20    2   14 o  399.543   93.672   0.8326   0.3384   0.8081   0.4868   0.8555   0.4708  384.705  122.283  395.353  119.374 -10.64716 170.8898 
1 1 1   20    2   15 o  612.937   71.536   1.8564   0.3959   1.8810   0.5756   1.8343   0.5453  591.271  109.836  587.552  104.707 3.719238 151.7486 
1 1 1   20    2   16 o  381.772  103.674   0.8021   0.3736   0.6429   0.5495   0.9390   0.5095  344.557  128.786  401.305  124.762 -56.74713 179.3080 
1 1 1   20    2   17 o  651.698   85.303   2.2322   0.4993   2.2272   0.7427   2.2363   0.6743  593.404  138.539  612.699  123.867 -19.29504 185.8391 
1 1 1   20    2   18 o  399.825  125.514   1.0587   0.5142   0.2401   0.6115   3.0349   0.9502  273.826  121.556  630.453  162.694 -356.6262 203.0896 
1 1 1   20    2   19 o  554.332   93.613   1.7952   0.4605   0.8454   0.5755   3.4854   0.7677  334.331  130.109  732.899  117.830 -398.5678 175.5343 
1 1 1   20    4    0 o  1366.84   39.502   8.6653   0.4968   8.6975   0.7053   8.6336   0.6999  1363.76   56.206  1358.83   55.979 4.929077 79.32709 
1 1 1   20    4    1 o  817.305   45.616   3.1198   0.3417   2.9738   0.4841   3.2648   0.4823  791.041   67.141  830.398   63.610 -39.35724 92.48835 
1 1 1   20    4    2 o  237.296   84.046   0.2419   0.2296   0.4056   0.3349   0.0967   0.3154  296.091  101.737  226.056   93.364 70.03445 138.0843 
1 1 1   20    4    3 o  849.849   45.394   3.3833   0.3537   3.7432   0.5238   3.0816   0.4796  886.072   64.686  803.215   65.456 82.85699 92.02562 
1 1 1   20    4    4 o  652.787   57.492   2.0298   0.3418   1.8661   0.4630   2.2257   0.5067  614.013   84.167  671.533   83.831 -57.51978 118.7926 
1 1 1   20    4    5 o  318.104   83.902   0.5146   0.2491   0.4391   0.3442   0.5977   0.3611  300.564  103.135  340.075  104.916 -39.51077 147.1198 
1 1 1   20    4    6 o  400.121  100.133   0.8432   0.3678   0.8432   0.3678   0.0000   0.0000  400.121  100.133  ?   ?  0.000000 100.1335 
1 1 1   20    4    7 o  159.336   75.151  -0.2776   0.2869  -0.2776   0.2869   0.0000   0.0000  159.336   75.151  ?   ?  0.000000 75.15076 
1 1 1   20    4    8 o  458.128   65.147   1.0305   0.2669   1.2094   0.3724   0.8416   0.3827  486.325   86.379  396.067  103.768 90.25717 135.0150 
1 1 1   20    4    9 o  547.788   61.145   1.4578   0.3029   1.0843   0.3968   1.9799   0.4691  453.135   98.007  626.181   83.501 -173.0459 128.7551 
1 1 1   20    4   10 o  156.231   73.919  -0.2846   0.2816  -0.2808   0.4240  -0.2876   0.3766  201.656   93.891  187.355   87.646 14.30145 128.4422 
1 1 1   20    4   11 o  586.117   61.551   1.6671   0.3270   2.1559   0.4695   1.2067   0.4557  656.750   79.301  473.425  107.107 183.3258 133.2691 
1 1 1   20    4   12 o  557.188   67.602   1.5197   0.3395   1.4887   0.4577   1.5577   0.5063  535.698   96.390  542.641  105.189 -6.943115 142.6732 
1 1 1   20    4   13 o  458.881   78.016   1.0546   0.3176   1.5763   0.4747   0.6317   0.4274  552.357   96.932  347.221  114.911 205.1355 150.3344 
1 1 1   20    4   14 o  522.508   78.489   1.3653   0.3657   1.3861   0.5385   1.3474   0.4982  502.817  118.351  500.220  111.132 2.597351 162.3491 
1 1 1   20    4   15 o  731.200   61.641   2.5926   0.4109   2.7958   0.5608   2.3572   0.6037  744.357   83.299  669.417  101.167 74.94055 131.0475 
1 1 1   20    4   16 f  325.032  109.751   0.5741   0.3896   0.6357   0.5986   0.5288   0.5132  344.155  133.037  321.899  123.517 22.25571 181.5360 
1 1 1   20    4   17 o  540.496   81.304   1.5308   0.3918   2.1575   0.5406   0.8370   0.5688  628.412   96.573  365.401  131.961 263.0109 163.5238 
1 1 1   20    4   18 o  220.480   96.874   0.0818   0.3790   0.1684   0.5236  -0.0134   0.5492  254.130  112.662  239.193  109.755 14.93666 157.2861 
1 1 1   20    4   19 o  272.373  121.632   0.3717   0.6218   0.3717   0.6218   0.0000   0.0000  272.373  121.632  ?   ?  0.000000 121.6325 
1 1 1   20    6    0 o  199.074   80.556   0.0903   0.2290   0.0103   0.3244   0.1697   0.3232  214.535   91.948  242.825   96.575 -28.29068 133.3464 
1 1 1   20    6    1 o  1370.57   42.012   8.7415   0.5298   8.3474   0.6789   9.3553   0.8473  1333.80   55.318  1406.56   65.469 -72.75684 85.71056 
1 1 1   20    6    2 o  835.604   48.643   3.2781   0.3724   3.2744   0.5034   3.2825   0.5534  827.964   66.639  825.705   73.613 2.259338 99.29525 
1 1 1   20    6    3 o  235.885   78.770   0.2582   0.2007   0.8300   0.3543  -0.0120   0.2435  402.214   96.873  182.045   78.851 220.1693 124.9070 
1 1 1   20    6    4 o  1127.61   40.603   5.9378   0.4213   6.2880   0.6279   5.6510   0.5682  1149.24   59.582  1091.01   56.791 58.22510 82.31168 
1 1 1   20    6    5 o  266.076   81.775   0.3514   0.2196   0.5796   0.3468   0.1987   0.2837  334.462  102.758  235.057   91.388 99.40535 137.5171 
1 1 1   20    6    6 o  848.072   45.151   3.3917   0.3511   3.4901   0.5021   3.2976   0.4910  849.595   64.719  825.437   65.178 24.15765 91.85165 
1 1 1   20    6    7 o  612.734   54.487   1.7987   0.3040   1.9762   0.4299   1.6212   0.4300  631.474   75.478  565.782   85.233 65.69208 113.8492 
1 1 1   20    6    8 o  353.103   93.610   0.6554   0.3091   1.1802   0.3758  -0.4409   0.5432  478.980   88.537  218.533  103.175 260.4472 135.9557 
1 1 1   20    6    9 o  579.664   60.915   1.6302   0.3201   1.6032   0.4272   1.6646   0.4832  561.467   85.385  565.300   96.338 -3.832764 128.7310 
1 1 1   20    6   10 o  455.411   89.840   1.0746   0.3631   0.9217   0.5743   1.1764   0.4687  402.224  133.202  464.277  111.179 -62.05273 173.5033 
1 1 1   20    6   11 o  251.063  102.836   0.1841   0.3786   0.1046   0.5073   0.2841   0.5688  265.403  114.383  299.382  124.660 -33.97842 169.1855 
1 1 1   20    6   12 o  574.040   70.189   1.6173   0.3630   1.6728   0.4314   1.4827   0.6719  576.630   83.756  506.061  139.709 70.56952 162.8911 
1 1 1   20    6   13 o  640.021   60.860   1.9751   0.3541   1.8764   0.4723   2.1019   0.5351  609.907   86.589  641.672   93.366 -31.76459 127.3379 
1 1 1   20    6   14 o  647.754   63.498   2.0363   0.3736   1.7844   0.4882   2.3924   0.5804  588.988   93.177  682.057   95.069 -93.06903 133.1163 
1 1 1   20    6   15 o  472.584   93.957   1.1749   0.3942   0.3520   0.5489   2.0514   0.5665  302.549  123.859  621.136  102.700 -318.5871 160.8988 
1 1 1   20    6   16 o  372.025  113.594   0.7930   0.4245   1.2216   0.5382   0.0870   0.6907  452.769  125.051  284.898  127.641 167.8706 178.6894 
1 1 1   20    6   17 o  649.046   88.432   2.2618   0.5144   2.7644   0.6165   1.1098   0.9333  708.242   97.155  386.950  160.281 321.2924 187.4274 
1 1 1   20    6   18 o  410.141  120.033   1.1124   0.4819   0.9634   0.5471   1.6279   1.0176  368.499  129.818  403.899  167.336 -35.40036 211.7872 
1 1 1   20    6   19 o  469.091  126.694   1.5931   0.5597   1.2959   0.6559   2.3899   1.0739  386.011  141.346  434.397  174.926 -48.38528 224.8950 
1 1 1   20    8    0 o  160.849   70.884  -0.0475   0.2043   0.0402   0.3171  -0.1097   0.2671  216.395   91.766  175.611   78.971 40.78439 121.0682 
1 1 1   20    8    1 o  886.204   41.664   3.6599   0.3398   3.5987   0.4977   3.7132   0.4649  869.791   62.608  885.911   57.338 -16.12042 84.89668 
1 1 1   20    8    2 o  1221.72   45.656   6.9840   0.5133   8.9153   1.1499   6.5034   0.5736  1342.22   93.692  1175.52   53.026 166.7047 107.6567 
1 1 1   20    8    3 o  543.974   53.843   1.4094   0.2660   1.3526   0.4058   1.4521   0.3522  518.623   88.182  545.219   71.956 -26.59570 113.8146 
1 1 1   20    8    4 o  418.307   62.951   0.8527   0.2348   0.4385   0.3335   1.2597   0.3306  299.050  101.538  505.692   73.178 -206.6417 125.1596 
1 1 1   20    8    5 o  171.075   72.323   0.0286   0.1960  -0.0227   0.2736   0.0826   0.2809  189.096   82.719  209.964   87.526 -20.86862 120.4289 
1 1 1   20    8    6 o  268.480   83.943   0.3604   0.2303   0.5661   0.3257   0.1547   0.3256  329.091   99.273  234.612   95.649 94.47910 137.8545 
1 1 1   20    8    7 o  155.884   69.583  -0.0618   0.2033  -0.0627   0.2716  -0.0607   0.3065  181.407   80.743  193.198   85.897 -11.79115 117.8883 
1 1 1   20    8    8 o  780.267   61.798   2.9443   0.4401   3.1612   0.5079   2.2917   0.8812  803.666   69.366  611.698  156.051 191.9673 170.7737 
1 1 1   20    8    9 o  208.964   88.552   0.0616   0.2949   0.0320   0.3270   0.1908   0.6833  212.990   91.812  303.999  131.879 -91.00879 160.6907 
1 1 1   20    8   10 o  756.521   51.934   2.7293   0.3593   2.3785   0.4522   3.3304   0.5919  694.992   71.741  817.404   79.715 -122.4113 107.2437 
1 1 1   20    8   11 o  236.145   95.721   0.1656   0.3239   0.5636   0.4566  -0.2374   0.4595  332.928  118.455  216.183   99.636 116.7453 154.7866 
1 1 1   20    8   12 o  475.959   85.319   1.1497   0.3599   1.6803   0.4195  -0.3314   0.7009  579.987   80.795  262.492  121.705 317.4943 146.0820 
1 1 1   20    8   13 o  732.957   65.056   2.6037   0.4342   2.5945   0.4962   2.6339   0.8973  725.455   75.431  670.961  149.192 54.49347 167.1766 
1 1 1   20    8   14 o  1032.53   59.518   5.1298   0.5631   4.5838   0.7764   5.7357   0.8179  949.793   89.904  1069.62   83.769 -119.8264 122.8815 
1 1 1   20    8   15 o  746.223   70.652   2.7606   0.4794   2.4386   0.5483   3.8044   0.9873  687.178   88.792  804.056  138.440 -116.8781 164.4681 
1 1 1   20    8   16 o  740.954   72.238   2.7722   0.4863   2.8322   0.5744   2.6204   0.9133  735.318   86.557  620.131  159.227 115.1862 181.2334 
1 1 1   20    8   17 o  1148.73   64.367   6.6371   0.6776   6.9343   0.7909   5.8170   1.3140  1157.44   74.659  889.648  166.639 267.7952 182.5997 
1 1 1   20    8   18 o  608.362   86.426   2.0744   0.4702   2.5042   0.6292   1.5306   0.7077  633.231  112.080  429.389  147.861 203.8418 185.5387 
1 1 1   20    8   19 o  388.839  152.439   1.5686   0.7945   1.5686   0.7945   0.0000   0.0000  388.839  152.439  ?   ?  0.000000 152.4392 
1 1 1   20   10    0 o  1327.79   36.153   8.1949   0.4417   8.6273   0.6329   7.7841   0.6168  1355.69   50.732  1287.05   52.081 68.64111 72.70546 
1 1 1   20   10    1 o  697.442   43.459   2.2822   0.2775   2.4830   0.4179   2.1237   0.3712  719.803   63.753  666.351   61.222 53.45258 88.38940 
1 1 1   20   10    2 o  421.987   55.988   0.8562   0.2120   1.0916   0.3626   0.7338   0.2614  464.556   88.045  383.145   76.813 81.41122 116.8425 
1 1 1   20   10    3 o  806.454   41.730   3.0515   0.3086   2.7698   0.4524   3.2968   0.4221  757.484   65.546  832.246   55.432 -74.76215 85.84288 
1 1 1   20   10    4 o  459.797   55.520   1.0173   0.2301   1.1009   0.3314   0.9395   0.3198  468.385   79.755  430.129   83.821 38.25607 115.7021 
1 1 1   20   10    5 o  478.323   56.527   1.1033   0.2440   1.0417   0.3246   1.1833   0.3699  454.297   80.608  481.784   86.621 -27.48697 118.3254 
1 1 1   20   10    6 f  369.355   75.196   0.6887   0.2469   0.6555   0.3281   0.7321   0.3748  352.432   97.758  369.775  105.156 -17.34283 143.5777 
1 1 1   20   10    7 o  352.399   77.596   0.6323   0.2448   0.8024   0.3104   0.3525   0.3981  393.468   87.953  284.881  108.911 108.5867 139.9907 
1 1 1   20   10    8 o  486.652   76.803   1.1884   0.3325   1.2061   0.3647   1.1007   0.8100  486.257   84.571  429.046  157.083 57.21124 178.4015 
1 1 1   20   10    9 o  340.375   99.821   0.6137   0.3329   0.4401   0.3648   1.4794   0.8148  298.926  105.929  486.704  158.548 -187.7782 190.6792 
1 1 1   20   10   10 o  916.018   46.832   3.9677   0.3934   4.1627   0.4977   3.6430   0.6422  931.446   58.369  853.648   82.803 77.79761 101.3083 
1 1 1   20   10   11 o  736.937   53.569   2.5888   0.3608   2.8113   0.4495   2.1859   0.6048  762.153   64.704  645.927  105.398 116.2260 123.6742 
1 1 1   20   10   12 o  1276.56   51.165   7.7098   0.6010   7.6212   0.8596   7.7945   0.8406  1247.57   75.234  1264.37   72.554 -16.80066 104.5194 
1 1 1   20   10   13 o  609.218   75.987   1.8428   0.4167   2.3035   0.5761   1.3375   0.6034  668.017   96.530  483.478  131.951 184.5388 163.4907 
1 1 1   20   10   14 o  308.202  101.201   0.4950   0.3317   0.6803   0.4149   0.1666   0.5523  352.964  112.969  278.668  119.718 74.29593 164.6035 
1 1 1   20   10   15 f  500.123   82.888   1.2960   0.3681   1.6776   0.4810   0.7567   0.5718  559.572   96.931  361.380  132.030 198.1917 163.7910 
1 1 1   20   10   16 o  175.381   83.560  -0.3474   0.3724  -0.5178   0.4346   0.1235   0.7224  178.744   86.463  283.725  128.518 -104.9814 154.8957 
1 1 1   20   10   17 o  347.637  112.499   0.7629   0.4106   0.6475   0.5308   0.9346   0.6478  318.503  124.676  358.154  138.415 -39.65109 186.2872 
1 1 1   20   10   18 o  632.453   88.359   2.2970   0.5002   2.8530   0.6545   1.5164   0.7755  672.103  109.606  399.797  152.205 272.3062 187.5631 
1 1 1   20   12    0 o  467.477   70.274   1.0699   0.2929   1.0419   0.3149   1.2506   0.7988  458.352   77.414  467.711  157.149 -9.358154 175.1822 
1 1 1   20   12    1 o  621.413   60.099   1.8530   0.3394   1.7393   0.3628   2.6487   0.9598  598.931   66.975  673.472  157.663 -74.54059 171.2990 
1 1 1   20   12    2 o  561.751   45.236   1.4908   0.2318   1.1030   0.3565   1.7749   0.3052  466.489   86.232  609.629   54.997 -143.1396 102.2772 
1 1 1   20   12    3 o  181.229   78.948  -0.0154   0.2470  -0.0909   0.2623   0.5759   0.7337  174.459   78.372  360.187  144.746 -185.7279 164.6012 
1 1 1   20   12    4 o  175.586   75.949  -0.0025   0.2253  -0.0213   0.2411   0.1277   0.6329  177.881   77.734  292.062  126.810 -114.1814 148.7391 
1 1 1   20   12    5 o  638.087   42.489   1.9196   0.2480   2.1131   0.3196   1.6268   0.3933  665.409   52.633  571.768   76.684 93.64081 93.00867 
1 1 1   20   12    6 o  554.334   47.815   1.4613   0.2415   1.3113   0.2984   1.7463   0.4112  518.308   63.917  591.831   77.367 -73.52313 100.3544 
1 1 1   20   12    7 o  279.826   83.167   0.3985   0.2298   0.3474   0.2800   0.5042   0.4025  268.434   92.968  316.018  111.345 -47.58380 145.0549 
1 1 1   20   12    8 o  228.132   84.598   0.2189   0.2362   0.3895   0.2903  -0.1147   0.4061  280.403   94.738  214.842   96.926 65.56026 135.5356 
1 1 1   20   12    9 o  393.423   77.855   0.7837   0.2719   0.6268   0.3299   1.1154   0.4798  344.622   98.885  450.819  115.232 -106.1962 151.8441 
1 1 1   20   12   10 o  964.769   59.598   4.4643   0.5265   4.0388   0.5932   6.0423   1.1425  909.417   71.468  1062.89  118.848 -153.4711 138.6817 
1 1 1   20   12   11 o  424.533   82.272   0.9137   0.3098   1.0977   0.3820   0.5607   0.5293  460.794   93.303  339.291  126.484 121.5031 157.1736 
1 1 1   20   12   12 o  967.969   68.654   4.5578   0.6075   2.8409   1.0011   5.5587   0.7644  682.422  161.872  1060.41   78.902 -377.9859 180.0782 
1 1 1   20   12   13 o  563.019   72.551   1.5741   0.3671   1.8695   0.4773   1.1463   0.5744  604.118   88.491  444.705  131.313 159.4126 158.3467 
1 1 1   20   12   14 o  693.604   66.655   2.3731   0.4202   2.5481   0.5343   2.0896   0.6802  705.568   83.946  600.915  126.988 104.6534 152.2265 
1 1 1   20   12   15 o  319.262  112.879   0.5704   0.4140   0.4517   0.4755   0.9423   0.8417  299.996  117.830  380.324  154.259 -80.32755 194.1128 
1 1 1   20   12   16 o  271.194  105.623   0.3777   0.3795   0.3927   0.4850   0.3542   0.6095  282.386  116.111  288.000  124.747 -5.614899 170.4213 
1 1 1   20   12   17 o  971.808   63.298   4.8506   0.5629   6.2351   0.7628   3.1949   0.8342  1074.61   77.666  667.108  140.343 407.5065 160.4001 
1 1 1   20   12   18 o  277.725  125.453   0.4862   0.6829   0.0000   0.0000   0.4862   0.6829  ?   ?   277.725  125.453 0.000000 125.4530 
1 1 1   20   14    0 o  559.429  124.941   1.7069   0.6269   1.2588   0.8339   2.2892   0.9507  463.813  160.465  616.103  164.571 -152.2904 229.8537 
1 1 1   20   14    1 o  534.957  134.982   1.6128   0.6644   1.1178   0.9153   2.1644   0.9661  441.771  165.998  591.508  169.049 -149.7370 236.9238 
1 1 1   20   14    2 o  533.308   49.102   1.3523   0.2383   1.3478   0.2466   1.4152   0.9222  531.733   51.032  479.812  168.585 51.92117 176.1396 
1 1 1   20   14    3 o  198.662   65.122   0.1848   0.1374   0.3734   0.1768  -0.1030   0.2184  272.556   70.086  155.546   70.540 117.0099 99.43792 
1 1 1   20   14    4 f  636.144   38.164   1.8988   0.2224   1.8651   0.2729   1.9654   0.3836  627.066   47.649  634.968   66.650 -7.902344 81.93059 
1 1 1   20   14    5 o  546.137   45.342   1.4137   0.2258   1.6417   0.2856   1.0334   0.3688  585.524   53.597  445.651   92.953 139.8727 107.2986 
1 1 1   20   14    6 o  330.870   70.443   0.5505   0.2079   0.3881   0.2483   0.9312   0.3801  277.358   87.245  418.703  100.028 -141.3449 132.7300 
1 1 1   20   14    7 o  179.165   75.068   0.0478   0.2081  -0.0201   0.2559   0.1802   0.3575  182.895   80.003  245.862  100.230 -62.96651 128.2438 
1 1 1   20   14    8 f  239.534   87.054   0.2524   0.2481  -0.0273   0.3033   0.8180   0.4314  197.384   86.697  387.684  113.601 -190.2998 142.9034 
1 1 1   20   14    9 o  298.878   90.825   0.4561   0.2719   0.5054   0.3274   0.3466   0.4881  313.809  100.336  298.260  118.668 15.54962 155.4007 
1 1 1   20   14   10 o  874.148   76.889   3.7612   0.6122   4.2309   0.7613   2.9018   1.0297  915.326   91.623  690.778  164.378 224.5475 188.1886 
1 1 1   20   14   11 o  340.306  104.400   0.6097   0.3581   0.9040   0.4894   0.2707   0.5254  404.655  121.611  291.992  120.543 112.6631 171.2302 
1 1 1   20   14   12 o  666.027   64.263   2.1607   0.3890   2.5751   0.4949   1.4912   0.6290  720.057   75.835  507.380  133.081 212.6764 153.1714 
1 1 1   20   14   13 o  626.128   80.868   1.9921   0.4550   2.6577   0.6679   1.4156   0.6216  701.591  106.835  486.250  134.426 215.3399 171.7087 
1 1 1   20   14   14 o  206.920   91.899  -0.0212   0.3499   0.0534   0.4408  -0.1484   0.5755  237.613  104.436  242.653  111.715 -5.040131 152.9284 
1 1 1   20   14   15 o  273.132  103.614   0.3857   0.3586   0.2986   0.4607   0.5196   0.5711  268.440  112.017  309.484  126.481 -41.04327 168.9534 
1 1 1   20   14   16 o  231.492   98.659   0.1858   0.3698   0.6929   0.5123  -0.3657   0.5343  322.035  123.439  205.236   98.405 116.7988 157.8633 
1 1 1   20   14   17 o  618.771   83.046   2.1680   0.4609   3.2184   0.6613   1.1755   0.6428  722.106  102.390  368.329  138.962 353.7765 172.6099 
1 1 1   20   16    0 o  416.965  137.690   0.9676   0.6138   0.5926   0.8339   1.4110   0.9067  372.913  152.664  482.389  167.297 -109.4754 226.4833 
1 1 1   20   16    1 o  426.859  139.582   1.0302   0.6313   0.2423   0.8360   2.0760   0.9631  334.876  145.571  575.925  170.025 -241.0488 223.8291 
1 1 1   20   16    2 o  420.251  138.827   1.0002   0.6239   1.2602   0.8616   0.7136   0.9047  457.685  162.731  389.092  159.123 68.59360 227.5995 
1 1 1   20   16    3 o  397.466   53.583   0.7621   0.1910   0.8198   0.1968  -0.1776   0.7940  412.648   53.046  290.119  132.695 122.5292 142.9051 
1 1 1   20   16    4 o  126.346   56.887  -0.0608   0.1391  -0.1029   0.1664   0.0370   0.2535  132.295   60.594  192.517   81.862 -60.22205 101.8482 
1 1 1   20   16    5 o  398.628   55.689   0.7699   0.1987   0.8361   0.2452   0.6435   0.3390  411.305   67.107  348.818  100.279 62.48734 120.6618 
1 1 1   20   16    6 o  593.365   47.077   1.6702   0.2549   1.7812   0.3160   1.4633   0.4314  608.673   57.085  533.896   91.086 74.77704 107.4963 
1 1 1   20   16    7 o  161.471   71.333  -0.0429   0.2081  -0.2362   0.2469   0.4322   0.3870  148.910   70.074  300.799  108.813 -151.8883 129.4248 
1 1 1   20   16    8 o  520.576   61.076   1.3117   0.2870   1.1215   0.3472   1.7220   0.5100  471.137   83.126  576.157   99.812 -105.0197 129.8938 
1 1 1   20   16    9 o  545.871   65.622   1.4513   0.3230   1.1487   0.4383   1.8110   0.4779  465.573  104.835  597.362   89.706 -131.7893 137.9765 
1 1 1   20   16   10 o  648.351   57.485   2.0193   0.3394   1.8662   0.4511   2.2190   0.5152  609.843   82.508  663.141   86.488 -53.29810 119.5317 
1 1 1   20   16   11 o  839.756   51.158   3.3600   0.3934   2.9615   0.5252   3.8696   0.5939  773.325   74.732  885.669   73.542 -112.3446 104.8490 
1 1 1   20   16   12 o  367.850   90.159   0.7173   0.3028   0.3419   0.3992   1.2260   0.4647  279.383  108.462  470.923  109.333 -191.5400 154.0058 
1 1 1   20   16   13 o  497.098  114.277   1.4197   0.5118   1.0182   0.6321   2.1838   0.8720  401.002  139.649  563.481  160.448 -162.4788 212.7099 
1 1 1   20   16   14 o  367.336  100.442   0.7754   0.3493   0.7258   0.4711   0.8359   0.5204  344.352  120.527  363.004  126.689 -18.65268 174.8624 
1 1 1   20   16   15 o  231.642   97.925   0.1900   0.3593   0.2006   0.4986   0.1786   0.5182  252.546  111.039  252.424  111.981 0.1225433 157.7002 
1 1 1   20   16   16 o  396.417  108.106   1.0263   0.4052   1.0926   0.5447   0.9440   0.6064  376.082  129.710  341.559  133.376 34.52289 186.0478 
1 1 1   20   18    0 f  438.357  147.064   1.0998   0.6996   0.9765   0.9188   1.2697   1.0790  423.388  164.500  461.776  178.584 -38.38773 242.8014 
1 1 1   20   18    1 o  632.976  133.986   2.2430   0.7561   1.0776   0.9586   4.1615   1.2299  435.200  168.319  830.841  166.674 -395.6413 236.8785 
1 1 1   20   18    2 o  301.090  128.047   0.2196   0.6204   0.1500   0.7970   0.3267   0.9884  319.720  140.481  358.568  157.025 -38.84784 210.6936 
1 1 1   20   18    3 o  351.688   85.182   0.6364   0.2727   0.7089   0.2825  -0.3601   1.0474  371.715   84.502  315.230  147.038 56.48508 169.5898 
1 1 1   20   18    4 o  303.851   73.377   0.4664   0.2028   0.5012   0.2067  -0.4398   1.0552  315.267   72.731  311.535  146.050 3.732056 163.1580 
1 1 1   20   18    5 o  576.487   49.782   1.5807   0.2615   1.6007   0.2917   1.4991   0.5903  577.864   55.536  519.910  124.937 57.95386 136.7240 
1 1 1   20   18    6 o  178.310   71.326   0.0872   0.1773   0.2738   0.2480  -0.1079   0.2535  245.955   87.317  168.730   76.307 77.22502 115.9614 
1 1 1   20   18    7 o  484.451   56.796   1.1297   0.2484   0.9189   0.3409   1.3684   0.3627  422.480   90.410  524.601   77.464 -102.1207 119.0576 
1 1 1   20   18    8 o  607.343   52.191   1.7583   0.2888   2.0883   0.4239   1.4723   0.3946  652.651   71.773  541.920   81.674 110.7302 108.7288 
1 1 1   20   18    9 f  648.008   51.933   2.0030   0.3071   2.3576   0.4241   1.6123   0.4452  695.427   67.109  562.026   89.046 133.4015 111.5028 
1 1 1   20   18   10 o  501.614   65.796   1.2378   0.2964   1.1036   0.3933   1.4141   0.4509  457.021   96.540  517.820   98.221 -60.79944 137.7218 
1 1 1   20   18   11 o  654.171   80.794   2.1757   0.4760   2.5429   0.5825   1.4376   0.8259  697.493   93.079  465.532  159.764 231.9609 184.9011 
1 1 1   20   18   12 o  970.464   52.133   4.5441   0.4638   4.6667   0.6125   4.3793   0.7102  966.571   69.329  918.411   84.999 48.16071 109.6878 
1 1 1   20   18   13 o  251.161  106.211   0.2126   0.4229   0.3840   0.5928   0.0351   0.6034  294.054  125.114  257.749  117.031 36.30530 171.3178 
1 1 1   20   18   14 o  707.736   65.016   2.5658   0.4187   2.6180   0.5698   2.5046   0.6172  680.413   93.478  647.241  107.403 33.17230 142.3850 
1 1 1   20   18   15 o  209.240   92.458   0.0905   0.3499  -0.3818   0.4745   0.6531   0.5179  188.086   90.830  304.342  121.853 -116.2559 151.9810 
1 1 1   20   20    0 o  563.631  147.412   1.8395   0.7732   1.6330   1.0682   2.0668   1.1207  508.773  181.162  563.307  186.061 -54.53473 259.6895 
1 1 1   20   20    1 o  926.764  117.525   4.5433   0.9797   5.0323   1.3839   4.0521   1.3871  915.125  170.624  790.833  192.445 124.2920 257.1916 
1 1 1   20   20    2 o  705.441  130.581   2.7335   0.8164   2.4335   1.0414   3.2117   1.3150  622.476  174.691  691.345  197.101 -68.86865 263.3738 
1 1 1   20   20    3 o  174.301   65.801   0.1113   0.1442   0.1925   0.1731  -0.0723   0.2604  208.556   73.061  176.870   78.866 31.68608 107.5074 
1 1 1   20   20    4 o  734.718   39.817   2.5303   0.2682   2.2673   0.3252   3.0897   0.4743  691.055   51.506  800.336   64.958 -109.2813 82.89993 
1 1 1   20   20    5 o  1044.50   38.770   5.0963   0.3726   5.1075   0.4609   5.0750   0.6332  1041.43   48.094  1024.82   67.523 16.61108 82.89978 
1 1 1   20   20    6 o  267.927   85.843   0.3541   0.2395   0.6078   0.2924  -0.1631   0.4175  342.674   91.154  213.867   97.200 128.8076 133.2553 
1 1 1   20   20    7 o  1092.81   42.363   5.6032   0.4260   5.2224   0.5099   6.4829   0.7750  1048.04   53.049  1151.26   73.541 -103.2202 90.67796 
1 1 1   20   20    8 o  517.329   68.974   1.3198   0.3202   1.4792   0.3828   0.9489   0.5839  542.782   78.965  407.603  134.285 135.1797 155.7814 
1 1 1   20   20    9 o  226.683   91.346   0.1634   0.2931   0.0251   0.3263   0.7410   0.6667  210.639   91.255  368.638  140.935 -157.9985 167.8990 
1 1 1   20   20   10 o  635.422   61.255   1.9783   0.3537   2.1669   0.4656   1.7209   0.5439  652.502   79.170  556.741  110.078 95.76093 135.5911 
1 1 1   20   20   11 f  386.969  106.898   0.8601   0.3932   0.5507   0.4866   1.4425   0.6676  317.326  120.624  467.698  142.372 -150.3724 186.6008 
1 1 1   20   20   12 o  342.957   99.707   0.6814   0.3335   0.5485   0.4453   0.8511   0.5032  307.839  115.763  363.976  124.719 -56.13681 170.1641 
1 1 1   20   20   13 o  274.716  110.604   0.4148   0.4293   0.3461   0.6155   0.4798   0.5990  278.448  122.858  292.541  125.145 -14.09305 175.3719 
1 1 1   20   20   14 o  254.600  102.402   0.3652   0.3676   0.1962   0.4963   0.5706   0.5471  241.851  108.286  290.396  121.692 -48.54524 162.8948 
1 1 1   20   22    0 o  371.429   59.179   0.6695   0.1955   0.5978   0.2398   0.8114   0.3374  344.935   77.457  397.111   93.819 -52.17578 121.6620 
1 1 1   20   22    1 o  644.271   40.789   1.9468   0.2406   1.9262   0.3085   1.9788   0.3843  636.653   53.145  639.836   66.229 -3.183350 84.91533 
1 1 1   20   22    2 o  744.715   42.920   2.6049   0.2929   2.8725   0.3991   2.2928   0.4310  776.601   56.236  687.392   69.082 89.20850 89.07774 
1 1 1   20   22    3 o  539.140   45.103   1.3732   0.2217   1.4056   0.2703   1.3064   0.3874  542.169   54.948  509.190   85.730 32.97919 101.8281 
1 1 1   20   22    4 o  756.184   41.896   2.6862   0.2904   2.3736   0.3426   3.4840   0.5473  706.250   53.103  845.999   70.965 -139.7492 88.63347 
1 1 1   20   22    5 o  802.933   44.847   3.0401   0.3300   3.1187   0.4053   2.8856   0.5684  808.475   54.808  760.685   82.536 47.78998 99.07646 
1 1 1   20   22    6 o  274.651   90.750   0.3748   0.2666   0.4860   0.3242   0.1424   0.4686  307.495   99.999  262.636  111.473 44.85880 149.7532 
1 1 1   20   22    7 o  615.492   65.010   1.8548   0.3626   1.9097   0.4284   1.7164   0.6809  617.314   77.106  539.424  136.931 77.89038 157.1483 
1 1 1   20   22    8 o  252.257   97.208   0.2685   0.3188   0.2905   0.3702   0.2054   0.6273  264.808  103.979  291.502  126.409 -26.69449 163.6787 
1 1 1   20   22    9 o  471.713   85.117   1.1704   0.3559   0.9797   0.4279   1.5983   0.6409  413.370  110.404  507.224  134.956 -93.85413 174.3618 
1 1 1   20   22   10 o  148.229   72.569  -0.5366   0.3325  -0.3103   0.4056  -1.0004   0.5806  187.487   88.711  184.928   91.554 2.559875 127.4824 
1 1 1   20   22   11 o  206.688   97.596  -0.2650   0.4864  -0.2023   0.5205  -0.6963   1.3652  218.613  102.517  287.647  142.036 -69.03430 175.1677 
1 1 1   20   22   12 o  332.975  114.190   0.7373   0.4219   0.7839   0.5197   0.6472   0.7223  332.473  125.056  309.202  134.848 23.27081 183.9103 
1 1 1   20   22   13 o  219.087  105.174  -0.2211   0.6144   0.1294   0.7095  -1.2723   1.2287  252.370  118.771  237.635  119.859 14.73454 168.7388 
1 1 1   20   22   14 o  418.255  168.445   2.4050   0.9960   0.0000   0.0000   2.4050   0.9960  ?   ?   418.255  168.445 0.000000 168.4449 
1 1 1   20   24    0 o  568.672   53.686   1.5410   0.2776   1.7272   0.3463   1.2061   0.4644  598.199   63.897  478.247  108.075 119.9525 125.5509 
1 1 1   20   24    1 o  354.939   75.622   0.6330   0.2394   0.6621   0.2888   0.5690   0.4281  359.046   88.086  335.213  115.025 23.83224 144.8786 
1 1 1   20   24    2 o  408.393   76.628   0.8366   0.2774   0.8595   0.3562   0.8014   0.4422  405.417   96.806  385.463  115.547 19.95349 150.7399 
1 1 1   20   24    3 o  849.787   51.068   3.4309   0.3975   3.5905   0.5700   3.2798   0.5546  855.534   73.104  816.380   74.650 39.15436 104.4836 
1 1 1   20   24    4 o  479.779   63.245   1.1262   0.2724   1.0318   0.3258   1.3457   0.4966  450.308   81.635  497.404  111.278 -47.09570 138.0111 
1 1 1   20   24    5 f  572.026   62.026   1.5973   0.3213   1.5142   0.3793   1.8081   0.6043  548.377   77.312  569.048  119.221 -20.67102 142.0947 
1 1 1   20   24    6 o  542.081   65.776   1.4542   0.3214   1.5866   0.3742   1.0820   0.6273  561.324   74.273  420.134  139.223 141.1903 157.7958 
1 1 1   20   24    7 o  396.659   94.857   0.8585   0.3415   0.8793   0.4120   0.8128   0.6108  391.928  109.833  367.320  136.076 24.60760 174.8714 
1 1 1   20   24    8 o  448.072   90.744   1.0929   0.3613   0.6480   0.4219   2.3164   0.6997  332.893  114.195  615.468  127.736 -282.5750 171.3389 
1 1 1   20   24    9 o  705.039   74.138   2.5848   0.4738   2.8017   0.5567   2.0151   0.9022  721.000   85.583  492.204  167.003 228.7964 187.6551 
1 1 1   20   24   10 o  281.414  108.489   0.4608   0.3972   0.3199   0.4664   0.8329   0.7580  262.798  111.359  334.489  141.865 -71.69086 180.3504 
1 1 1   20   24   11 f  692.048   83.904   2.6993   0.5234   2.0095   0.6564   3.9038   0.8673  518.253  135.945  745.249  131.272 -226.9959 188.9798 
1 1 1   20   24   12 o  370.207  131.883   1.1608   0.5662   1.5743   0.6248  -0.7372   1.3385  428.146  138.797  251.416  126.592 176.7300 187.8564 
1 1 1   20   26    0 o  650.476   60.956   2.0454   0.3606   1.9496   0.4258   2.2885   0.6781  627.177   75.285  649.281  117.838 -22.10443 139.8344 
1 1 1   20   26    1 o  632.066   63.332   1.9446   0.3634   2.3491   0.4606   1.2778   0.5914  688.744   73.829  470.031  131.544 218.7125 150.8462 
1 1 1   20   26    2 o  848.043   57.424   3.4660   0.4455   3.5116   0.5799   3.4004   0.6958  839.756   75.861  809.127   95.286 30.62909 121.7959 
1 1 1   20   26    3 o  240.747   99.602   0.1664   0.3598   0.0226   0.4853   0.3420   0.5362  246.565  108.925  296.776  122.066 -50.21140 163.5993 
1 1 1   20   26    4 o  328.757  108.917   0.5971   0.3839   0.1015   0.5613   1.0328   0.5263  267.047  117.602  415.267  126.410 -148.2194 172.6553 
1 1 1   20   26    5 o  818.878   67.093   3.3462   0.5011   3.3595   0.7344   3.3347   0.6855  779.065  105.128  785.909   96.839 -6.844299 142.9322 
1 1 1   20   26    6 o  546.662   74.741   1.5455   0.3661   1.0938   0.4365   2.6177   0.6725  431.041  109.753  671.039  112.916 -239.9987 157.4669 
1 1 1   20   26    7 o  196.025   88.102  -0.0305   0.3319  -0.3223   0.3984   0.6302   0.5996  182.173   86.696  321.075  130.209 -138.9021 156.4305 
1 1 1   20   26    8 o  365.650  104.944   0.8271   0.3716   0.8843   0.4541   0.7112   0.6463  364.229  118.346  321.801  133.344 42.42767 178.2874 
1 1 1   20   26    9 o  528.261   91.399   1.6250   0.4282   1.5828   0.5108   1.7250   0.7855  490.146  115.193  429.635  155.088 60.51077 193.1885 
1 1 1   20   26   10 o  193.087   91.634  -0.1850   0.4391  -0.0172   0.5470  -0.4892   0.7363  223.428  104.876  217.509  106.795 5.919067 149.6805 
1 1 1   20   28    0 o  695.551  105.310   2.6403   0.6529   2.1050   1.4458   2.7774   0.7318  487.482  200.464  700.602  117.686 -213.1200 232.4565 
1 1 1   20   28    1 f  247.352   99.339   0.2356   0.3453   0.6261   0.4353  -0.4272   0.5672  332.853  115.893  218.581  103.852 114.2723 155.6169 
1 1 1   20   28    2 o  410.928  106.632   0.9701   0.4067   1.2807   0.5418   0.5693   0.6154  456.649  125.206  325.746  131.982 130.9031 181.9221 
1 1 1   20   28    3 f  216.611   95.517   0.0338   0.3715  -0.0800   0.5276   0.1457   0.5231  235.330  107.832  258.398  113.670 -23.06740 156.6796 
1 1 1   20   28    4 o  597.953   90.958   1.9662   0.4847   2.2957   0.6854   1.6365   0.6856  601.592  127.754  480.059  143.856 121.5329 192.3943 
1 1 1   20   28    5 o  156.583   77.708  -0.7937   0.4279  -1.1781   0.6624  -0.5186   0.5604  188.312   93.978  201.673   97.708 -13.36060 135.5684 
1 1 1   20   28    6 o  691.309   89.163   2.7049   0.5540   3.3951   0.8345   2.1613   0.7407  699.779  134.487  528.456  146.978 171.3231 199.2222 
1 1 1   20   28    7 o  247.012  103.332   0.3085   0.3934   0.7018   0.4866  -0.4337   0.6685  312.874  120.223  216.115  105.168 96.75906 159.7304 
1 1 1   20   28    8 o  217.693  102.208  -0.0382   0.5201   0.5096   0.9148  -0.2997   0.6321  281.708  133.274  214.233  103.788 67.47502 168.9201 
1 1 1   20   30    0 o  436.581  108.873   1.1475   0.4359   0.9925   0.5204   1.5117   0.7978  386.418  126.748  434.311  156.361 -47.89310 201.2800 
1 1 1   20   30    1 o  321.030  114.121   0.6443   0.4237   0.3407   0.5272   1.1981   0.7121  274.533  117.424  391.828  146.577 -117.2950 187.8114 
1 1 1   20   30    2 o  225.748  100.995   0.0706   0.4308   0.1676   0.5646  -0.0645   0.6664  254.965  114.723  247.114  115.919 7.850922 163.0903 
1 1 1   20   30    3 o  345.021  125.987   0.8621   0.5206   0.9377   0.7304   0.7840   0.7421  339.571  141.317  321.947  138.546 17.62390 197.9025 
1 1 1   20   30    4 f  264.479  112.900   0.3817   0.4856  -0.5413   0.6782   1.3528   0.6957  212.246  103.854  390.049  145.081 -177.8030 178.4212 
1 1 1   20   30    5 o  195.527   95.039  -0.4145   0.5417  -0.4147   0.7907  -0.4142   0.7438  227.813  111.612  222.905  109.003 4.907944 156.0093 
1 1 1   20   30    6 o  269.083  130.038   0.3264   0.9770   0.3264   0.9770   0.0000   0.0000  269.083  130.038  ?   ?  0.000000 130.0381 
1 1 1   20   32    0 o  284.850  133.678   0.4014   0.8879   0.0000   0.0000   0.4014   0.8879  ?   ?   284.850  133.678 0.000000 133.6785 
1 1 1   20   32    1 o  256.492  124.161  -0.0425   0.9001   0.0000   0.0000  -0.0425   0.9001  ?   ?   256.492  124.161 0.000000 124.1607 
1 1 1   21    1    0 o  1491.39   46.303   10.359   0.6354   9.3764   1.0648   10.902   0.7919  1398.05   83.148  1525.53   56.412 -127.4766 100.4780 
1 1 1   21    1    1 o  508.764   70.171   1.2487   0.3198   1.3069   0.5682   1.2217   0.3868  499.963  124.085  496.942   87.810 3.020844 152.0116 
1 1 1   21    1    2 o  999.226   52.313   4.6954   0.4793   4.3501   0.8374   4.8636   0.5846  936.307   98.679  1012.10   63.081 -75.79523 117.1184 
1 1 1   21    1    3 o  207.535   86.677   0.0661   0.2762   0.0754   0.3347   0.0461   0.4888  226.217   95.015  260.284  112.228 -34.06689 147.0471 
1 1 1   21    1    4 o  291.418   99.779   0.4065   0.3221   0.6255   0.3725  -0.2422   0.6412  348.114  106.424  261.421  119.446 86.69299 159.9793 
1 1 1   21    1    5 o  806.585   49.006   3.0752   0.3620   2.9197   0.5035   3.2416   0.5209  774.388   71.459  817.159   69.946 -42.77032 99.99417 
1 1 1   21    1    6 o  1542.83   56.315   11.326   0.7995   11.326   0.7995   0.0000   0.0000  1542.83   56.315  ?   ?  0.000000 56.31548 
1 1 1   21    1    7 o  142.482   67.997  -0.2995   0.2487  -0.2898   0.3661  -0.3078   0.3390  184.593   86.375  174.130   81.994 10.46278 119.0951 
1 1 1   21    1    8 o  416.868   81.655   0.8851   0.3020   1.2650   0.5177   0.6892   0.3718  478.493  118.264  358.937  105.553 119.5561 158.5179 
1 1 1   21    1    9 o  593.353   61.486   1.7080   0.3308   1.8265   0.4639   1.5853   0.4719  599.415   86.628  551.691   96.470 47.72357 129.6565 
1 1 1   21    1   10 o  469.976   71.731   1.0980   0.3004   1.5930   0.4332   0.6398   0.4168  558.901   87.072  346.209  113.430 212.6918 142.9966 
1 1 1   21    1   11 o  687.137   57.754   2.2693   0.3618   2.2244   0.4952   2.3206   0.5298  665.917   82.595  677.340   87.011 -11.42334 119.9697 
1 1 1   21    1   12 o  707.560   56.348   2.3953   0.3638   1.9985   0.4800   2.9312   0.5578  630.835   84.838  768.902   80.013 -138.0666 116.6172 
1 1 1   21    1   13 o  887.603   53.730   3.7490   0.4368   4.3059   0.6481   3.2856   0.5912  936.501   75.865  814.598   79.895 121.9024 110.1760 
1 1 1   21    1   14 o  516.802   82.293   1.3494   0.3782   1.3134   0.5214   1.3894   0.5494  488.536  117.440  500.613  120.686 -12.07715 168.3960 
1 1 1   21    1   15 o  577.480   77.780   1.6795   0.4028   0.9869   0.5471   2.4996   0.5953  412.056  129.474  691.611   96.137 -279.5557 161.2631 
1 1 1   21    1   16 o  1133.28   58.237   6.2481   0.6052   4.7926   0.8081   8.1074   0.9134  952.676   93.388  1263.23   78.976 -310.5577 122.3055 
1 1 1   21    1   17 o  273.839  110.770   0.3497   0.4327   2.2640   0.8865  -0.2491   0.4958  546.166  163.574  213.073   99.962 333.0925 191.6999 
1 1 1   21    1   18 o  443.577  122.748   1.3203   0.5180   1.1951   0.6158   1.6230   0.9577  396.993  137.861  405.823  164.568 -8.830048 214.6819 
1 1 1   21    1   19 o  318.527  138.601   0.8837   0.7593  -0.2472   1.2072   1.6240   0.9767  265.764  131.654  371.019  159.291 -105.2547 206.6551 
1 1 1   21    3    0 o  482.848   66.907   1.1203   0.2893   1.2051   0.4086   1.0352   0.4096  491.977   93.679  452.795  100.893 39.18192 137.6779 
1 1 1   21    3    1 o  741.992   51.228   2.5884   0.3476   2.7583   0.5010   2.4308   0.4827  758.052   72.720  710.307   74.987 47.74451 104.4565 
1 1 1   21    3    2 o  418.834   81.356   0.8716   0.3022   0.6856   0.3809   1.1879   0.4967  365.984  106.605  476.936  114.598 -110.9515 156.5166 
1 1 1   21    3    3 o  786.301   54.447   2.9270   0.3915   2.8248   0.5080   3.0765   0.6144  763.830   73.171  790.227   85.883 -26.39697 112.8272 
1 1 1   21    3    4 f  174.590   77.702  -0.0694   0.2514  -0.0667   0.3464  -0.0723   0.3655  206.654   91.626  211.528   93.933 -4.874237 131.2208 
1 1 1   21    3    5 o  504.880   92.059   1.3031   0.4119   1.3031   0.4119   0.0000   0.0000  504.880   92.059  ?   ?  0.000000 92.05928 
1 1 1   21    3    6 o  907.315   56.097   3.9304   0.4660   3.9028   0.5407   4.0104   0.9194  897.979   65.892  865.448  118.565 32.53119 135.6443 
1 1 1   21    3    7 o  199.261   79.938   0.1140   0.2234  -0.4600   0.3194   0.6631   0.3124  153.551   74.242  355.689   94.032 -202.1372 119.8074 
1 1 1   21    3    8 o  238.633   85.455   0.2563   0.2380   0.1100   0.3145   0.4524   0.3640  223.270   92.809  302.073  105.935 -78.80368 140.8392 
1 1 1   21    3    9 o  202.973   86.615   0.0418   0.2857   0.1623   0.4594  -0.0342   0.3647  263.564  111.039  213.873   94.459 49.69107 145.7808 
1 1 1   21    3   10 o  645.807   58.975   2.0123   0.3466   1.8582   0.4622   2.2102   0.5238  605.557   85.319  658.861   88.657 -53.30463 123.0419 
1 1 1   21    3   11 f  1168.67   47.182   6.4430   0.5074   7.0284   0.7110   5.8356   0.7242  1206.45   64.280  1092.06   72.485 114.3928 96.88126 
1 1 1   21    3   12 o  523.482   68.364   1.3422   0.3214   1.6139   0.4584   1.0793   0.4509  562.185   91.773  448.233  110.116 113.9513 143.3452 
1 1 1   21    3   13 o  688.307   60.845   2.2818   0.3814   1.8888   0.5277   2.7118   0.5519  604.744   98.191  737.472   82.760 -132.7285 128.4162 
1 1 1   21    3   14 o  588.450   76.215   1.7234   0.4030   1.7055   0.5806   1.7401   0.5598  558.751  116.693  568.820  110.933 -10.06915 161.0072 
1 1 1   21    3   15 o  846.603   61.685   3.4833   0.4772   3.3662   0.6846   3.5939   0.6656  804.711   94.243  838.076   87.604 -33.36487 128.6707 
1 1 1   21    3   16 o  1217.41   60.237   7.2313   0.6748   6.8151   1.0129   7.5633   0.9048  1126.76   98.690  1214.95   81.405 -88.19263 127.9319 
1 1 1   21    3   17 o  465.333  100.647   1.2362   0.4184   1.1184   0.5547   1.3916   0.6373  411.728  130.499  449.873  139.488 -38.14441 191.0154 
1 1 1   21    3   18 o  521.853  115.507   1.7350   0.5400   1.5043   0.6541   2.2287   0.9569  441.268  141.905  476.384  171.270 -35.11578 222.4199 
1 1 1   21    3   19 o  179.842   91.281  -1.8193   0.7858  -1.9710   1.2799  -1.7275   0.9956  226.429  115.085  207.006  104.816 19.42302 155.6635 
1 1 1   21    5    0 o  843.277   51.918   3.3406   0.4009   3.2007   0.5208   3.5442   0.6281  818.578   69.810  856.546   80.638 -37.96771 106.6576 
1 1 1   21    5    1 o  1001.96   48.066   4.6950   0.4432   4.9828   0.5879   4.3163   0.6743  1024.68   62.657  945.367   78.222 79.31683 100.2224 
1 1 1   21    5    2 o  478.488   70.572   1.1151   0.3014   0.7920   0.3959   1.5602   0.4648  390.830  106.973  557.144   94.004 -166.3140 142.4078 
1 1 1   21    5    3 o  509.200   64.846   1.2541   0.2969   1.1714   0.4182   1.3381   0.4217  477.624   98.438  514.184   92.521 -36.56027 135.0928 
1 1 1   21    5    4 o  193.637   79.053   0.0855   0.2228  -0.2689   0.3361   0.3632   0.2976  178.338   83.223  277.110   95.859 -98.77225 126.9451 
1 1 1   21    5    5 o  359.195   76.586   0.6506   0.2454   0.1311   0.3452   1.1811   0.3489  235.920   97.581  485.108   81.021 -249.1872 126.8322 
1 1 1   21    5    6 o  1044.82   48.333   5.1519   0.4647   4.8925   0.5892   5.5788   0.7558  1007.01   63.916  1063.99   77.736 -56.98163 100.6389 
1 1 1   21    5    7 f  823.903   69.701   3.3160   0.5235   3.3160   0.5235   0.0000   0.0000  823.903   69.701  ?   ?  0.000000 69.70077 
1 1 1   21    5    8 o  207.403   84.409   0.1135   0.2530  -0.0702   0.3280   0.3835   0.3976  198.444   88.502  290.911  109.390 -92.46713 140.7081 
1 1 1   21    5    9 o  283.382   91.560   0.4054   0.2721   0.1890   0.3654   0.6744   0.4075  248.854  101.375  354.058  111.817 -105.2041 150.9299 
1 1 1   21    5   10 o  614.265   71.944   1.8613   0.3989   2.2694   0.6902   1.6565   0.4889  643.121  121.076  563.669   97.803 79.45233 155.6438 
1 1 1   21    5   11 o  1169.15   46.319   6.4399   0.4983   6.3585   0.6874   6.5300   0.7234  1146.86   65.408  1159.97   68.072 -13.10352 94.40318 
1 1 1   21    5   12 o  892.146   52.594   3.7812   0.4298   3.8528   0.5883   3.6993   0.6295  888.114   72.629  864.846   80.014 23.26807 108.0611 
1 1 1   21    5   13 o  899.407   56.068   3.8627   0.4617   3.6037   0.6414   4.1413   0.6652  850.482   83.015  914.691   79.832 -64.20972 115.1723 
1 1 1   21    5   14 f  704.072   62.169   2.4030   0.3986   2.3048   0.5362   2.5244   0.5961  672.288   88.851  699.199   95.116 -26.91095 130.1600 
1 1 1   21    5   15 o  260.366  104.882   0.2491   0.3862  -0.2475   0.5575   0.7075   0.5356  234.569  108.683  356.329  128.130 -121.7600 168.0157 
1 1 1   21    5   16 o  1476.55   58.319   10.627   0.7924   9.9519   0.9320   12.388   1.5048  1406.58   72.255  1487.49  110.736 -80.91162 132.2248 
1 1 1   21    5   17 o  486.766  111.278   1.4214   0.4876   1.6621   0.6101   0.9961   0.8111  503.912  130.529  367.569  150.530 136.3424 199.2417 
1 1 1   21    5   18 o  184.770   92.229  -1.0834   0.6394  -1.2127   1.0430  -1.0056   0.8093  232.984  116.521  213.410  106.074 19.57362 157.5719 
1 1 1   21    7    0 o  1046.07   42.242   5.0993   0.4066   5.4148   0.5855   4.8055   0.5651  1069.64   59.726  1006.74   61.292 62.90393 85.57984 
1 1 1   21    7    1 o  213.001   83.974   0.1391   0.2424   0.1207   0.3700   0.1529   0.3207  243.303  100.861  236.756   95.503 6.546356 138.9020 
1 1 1   21    7    2 o  707.088   49.708   2.3597   0.3214   1.9475   0.4699   2.7220   0.4405  627.698   83.417  753.578   64.135 -125.8801 105.2219 
1 1 1   21    7    3 o  261.985   80.929   0.3377   0.2148   0.7851   0.3711   0.1125   0.2633  387.386  102.515  211.916   86.162 175.4698 133.9153 
1 1 1   21    7    4 f  534.068   54.427   1.3642   0.2637   1.1354   0.3960   1.5467   0.3536  469.067   94.994  562.444   69.822 -93.37704 117.8938 
1 1 1   21    7    5 o  409.875   69.088   0.8312   0.2513   0.8892   0.3833   0.7875   0.3328  409.798  102.047  388.586   94.078 21.21216 138.7954 
1 1 1   21    7    6 o  766.692   48.803   2.7869   0.3425   3.1882   0.5006   2.4338   0.4696  809.413   67.845  703.109   73.678 106.3046 100.1573 
1 1 1   21    7    7 o  700.447   53.142   2.3427   0.3400   2.1395   0.4604   2.5863   0.5041  655.809   77.818  722.220   77.042 -66.41101 109.5045 
1 1 1   21    7    8 o  182.691   81.971  -0.0865   0.2860  -0.1035   0.3164  -0.0103   0.6684  190.265   85.721  281.987  126.005 -91.72150 152.3981 
1 1 1   21    7    9 o  603.779   60.704   1.7654   0.3327   2.1777   0.4647   1.3318   0.4765  661.112   77.881  498.125  107.142 162.9872 132.4570 
1 1 1   21    7   10 o  327.563   93.835   0.5599   0.2973   0.5500   0.3810   0.5754   0.4755  325.735  108.522  336.139  120.749 -10.40430 162.3493 
1 1 1   21    7   11 o  727.871   83.562   2.6482   0.5495   3.1935   0.7905   2.1382   0.7644  775.137  114.253  612.048  138.916 163.0882 179.8652 
1 1 1   21    7   12 o  178.834   84.013  -0.3082   0.3523  -0.3082   0.3523   0.0000   0.0000  178.834   84.013  ?   ?  0.000000 84.01270 
1 1 1   21    7   13 o  662.334   73.070   2.1603   0.4379   2.3427   0.5063   1.6183   0.8728  684.363   82.027  508.399  163.965 175.9646 183.3386 
1 1 1   21    7   14 o  560.808   85.721   1.6072   0.4283   1.2442   0.6153   1.9484   0.5966  459.198  135.987  598.541  112.447 -139.3427 176.4563 
1 1 1   21    7   15 o  633.005   76.907   2.0290   0.4388   2.3121   0.6664   1.8123   0.5830  640.491  117.392  566.934  115.666 73.55713 164.8012 
1 1 1   21    7   16 o  775.149   65.103   3.0008   0.4601   2.8786   0.6014   3.1730   0.7143  732.701   91.172  751.567  106.250 -18.86554 140.0052 
1 1 1   21    7   17 o  361.193  117.075   0.8375   0.4446   1.5096   0.5384  -0.6023   0.7880  486.252  120.857  234.811  114.247 251.4410 166.3098 
1 1 1   21    7   18 o  722.911   80.298   2.8908   0.5251   3.2797   0.7016   2.3955   0.7918  723.849  108.694  536.760  152.917 187.0890 187.6116 
1 1 1   21    9    0 o  1949.97   36.177   17.679   0.6491   18.090   0.9285   17.287   0.9079  1962.04   51.427  1917.94   51.442 44.09985 72.73979 
1 1 1   21    9    1 o  453.573   63.201   0.9960   0.2566   1.0826   0.4017   0.9362   0.3336  458.936   98.090  430.480   87.195 28.45563 131.2428 
1 1 1   21    9    2 o  550.915   52.433   1.4441   0.2626   1.7076   0.4292   1.2864   0.3320  586.636   81.728  512.062   72.482 74.57373 109.2393 
1 1 1   21    9    3 o  1001.26   40.886   4.6896   0.3767   4.4036   0.5650   4.9184   0.5054  956.662   64.566  1017.79   54.159 -61.12701 84.27316 
1 1 1   21    9    4 o  344.601   70.613   0.5934   0.2164   1.2097   0.3544   0.2270   0.2732  490.717   81.328  238.783   90.478 251.9341 121.6573 
1 1 1   21    9    5 o  412.630   66.787   0.8393   0.2449   0.5959   0.3382   1.1078   0.3552  337.173  101.037  466.310   85.940 -129.1377 132.6432 
1 1 1   21    9    6 o  515.057   59.323   1.2837   0.2760   1.0808   0.3749   1.5239   0.4079  456.611   92.398  549.605   83.260 -92.99420 124.3767 
1 1 1   21    9    7 o  830.042   58.149   3.3086   0.4413   3.3354   0.5014   3.2165   0.9300  828.238   66.344  749.564  139.985 78.67358 154.9109 
1 1 1   21    9    8 o  811.473   62.051   3.1826   0.4598   2.9177   0.5087   4.3664   1.0753  770.005   72.651  877.248  137.751 -107.2432 155.7353 
1 1 1   21    9    9 o  834.856   60.266   3.3569   0.4599   3.4518   0.5257   3.0480   0.9487  841.203   68.517  720.972  147.964 120.2311 163.0578 
1 1 1   21    9   10 o  444.615   76.298   0.9901   0.3009   1.0459   0.3889   0.9068   0.4750  446.810   97.345  406.057  119.270 40.75284 153.9520 
1 1 1   21    9   11 o  543.698   77.460   1.4692   0.3766   1.6375   0.5272   1.2940   0.5380  557.325  106.696  485.461  120.901 71.86389 161.2484 
1 1 1   21    9   12 o  804.693   53.706   3.0847   0.3954   3.4002   0.5137   2.6261   0.6193  837.063   67.261  715.757   96.493 121.3058 117.6219 
1 1 1   21    9   13 o  1282.61   52.769   7.8194   0.6228   8.0656   0.8627   7.5513   0.9000  1281.87   73.444  1233.37   79.729 48.49854 108.4014 
1 1 1   21    9   14 o  476.594   99.100   1.2158   0.4204   1.5174   0.6059   0.9358   0.5839  510.148  128.994  399.142  134.354 111.0060 186.2536 
1 1 1   21    9   15 o  858.427   70.169   3.6859   0.5494   3.7276   0.6406   3.5698   1.0683  850.103   82.953  728.348  163.425 121.7549 183.2730 
1 1 1   21    9   16 o  478.171  104.971   1.3223   0.4492   1.5372   0.5293   0.7690   0.8492  504.749  116.352  348.268  148.998 156.4802 189.0455 
1 1 1   21    9   17 o  573.820   99.759   1.9330   0.5076   1.9613   0.5867   1.8487   1.0125  553.061  118.821  422.434  169.942 130.6268 207.3613 
1 1 1   21    9   18 o  765.093   74.429   3.1975   0.5174   2.9152   0.6523   3.6760   0.8493  675.745  108.589  708.268  135.257 -32.52228 173.4530 
1 1 1   21   11    0 f  534.426   52.862   1.3591   0.2565   1.1793   0.3573   1.5505   0.3686  485.912   82.878  563.268   72.827 -77.35571 110.3290 
1 1 1   21   11    1 o  426.228   57.626   0.8762   0.2202   0.6645   0.3462   1.0200   0.2854  357.310  100.879  455.709   70.322 -98.39902 122.9704 
1 1 1   21   11    2 o  450.737   53.640   0.9739   0.2181   0.7612   0.3492   1.1100   0.2793  381.520   98.706  477.255   65.315 -95.73477 118.3590 
1 1 1   21   11    3 o  702.024   62.133   2.3750   0.3972   2.7503   0.4488   1.0175   0.8534  754.077   65.325  425.810  160.235 328.2672 173.0398 
1 1 1   21   11    4 o  559.922   69.593   1.5373   0.3508   1.4641   0.3800   1.9605   0.9135  541.834   78.496  560.977  165.574 -19.14282 183.2386 
1 1 1   21   11    5 o  256.489   80.843   0.3255   0.2131   0.3380   0.2900   0.3108   0.3143  267.985   94.499  264.817   97.706 3.168671 135.9284 
1 1 1   21   11    6 o  231.561   81.954   0.2424   0.2183   0.2793   0.2927   0.1962   0.3277  253.766   94.160  242.715   97.017 11.05038 135.1975 
1 1 1   21   11    7 o  672.817   49.720   2.1532   0.3056   1.8063   0.3838   2.7547   0.5054  606.159   70.102  747.039   74.511 -140.8796 102.3039 
1 1 1   21   11    8 o  902.040   43.017   3.8238   0.3571   3.9304   0.4517   3.6461   0.5830  907.436   54.343  860.505   74.359 46.93127 92.10016 
1 1 1   21   11    9 o  680.716   67.474   2.2588   0.4171   2.4469   0.4697   1.5581   0.9067  705.141   73.471  497.172  167.425 207.9687 182.8364 
1 1 1   21   11   10 o  194.345   82.226   0.0438   0.2537   0.1861   0.3091  -0.2496   0.4440  237.566   94.460  211.696   97.699 25.87019 135.8959 
1 1 1   21   11   11 o  304.737   93.086   0.4748   0.2850   0.6532   0.3547   0.1497   0.4789  352.116  102.970  267.552  113.075 84.56427 152.9338 
1 1 1   21   11   12 o  325.743  115.076   0.5375   0.4302   0.1140   0.7938   0.7135   0.5119  314.022  138.989  364.514  125.739 -50.49265 187.4252 
1 1 1   21   11   13 o  773.963   59.818   2.8977   0.4227   2.4969   0.5213   3.6673   0.7223  703.254   82.100  841.769   94.912 -138.5150 125.4934 
1 1 1   21   11   14 o  280.817  101.997   0.3910   0.3405   0.4658   0.4224   0.2522   0.5756  303.283  113.000  288.050  122.935 15.23346 166.9792 
1 1 1   21   11   15 o  246.752  102.400   0.2109   0.3820   0.1548   0.4491   0.3576   0.7264  249.760  107.630  307.478  134.632 -57.71861 172.3662 
1 1 1   21   11   16 o  321.657  110.051   0.6318   0.3918   0.5356   0.4909   0.8008   0.6504  302.177  119.389  341.846  136.671 -39.66888 181.4734 
1 1 1   21   11   17 o  350.166  116.498   0.8456   0.4391   1.4937   0.5731  -0.0752   0.6832  451.931  130.520  242.182  114.748 209.7498 173.7888 
1 1 1   21   13    0 o  459.399   75.063   1.0454   0.3063   1.2090   0.3306   0.0518   0.8147  494.780   74.965  317.213  140.585 177.5663 159.3230 
1 1 1   21   13    1 o  445.802   76.116   0.9893   0.3010   0.9858   0.3198   1.0168   0.8914  442.664   81.520  429.366  163.251 13.29733 182.4729 
1 1 1   21   13    2 o  143.080   61.486  -0.0014   0.1458   0.0118   0.2613  -0.0074   0.1756  191.096   82.228  155.199   67.093 35.89743 106.1274 
1 1 1   21   13    3 o  270.472   74.816   0.3681   0.1925   0.3344   0.3012   0.3915   0.2502  269.095   96.163  279.474   87.523 -10.37933 130.0292 
1 1 1   21   13    4 o  654.402   42.910   2.0184   0.2570   2.0308   0.3432   2.0025   0.3877  650.135   57.972  641.236   66.674 8.898865 88.35308 
1 1 1   21   13    5 o  871.870   37.425   3.5527   0.3002   3.1406   0.3682   4.3701   0.5186  813.683   49.416  954.175   59.361 -140.4924 77.23759 
1 1 1   21   13    6 o  351.632   68.681   0.6173   0.2143   0.4465   0.2594   0.9837   0.3800  295.257   88.500  432.131   97.831 -136.8743 131.9205 
1 1 1   21   13    7 o  433.032   64.315   0.9198   0.2485   0.8661   0.3119   1.0133   0.4112  410.904   85.275  435.694  104.007 -24.79013 134.4967 
1 1 1   21   13    8 o  599.094   54.788   1.7189   0.2987   1.7608   0.3716   1.6423   0.5022  599.950   68.534  560.563  101.073 39.38690 122.1174 
1 1 1   21   13    9 o  608.957   55.635   1.7750   0.3083   1.5837   0.3743   2.1785   0.5436  566.849   73.494  654.216   92.917 -87.36688 118.4693 
1 1 1   21   13   10 o  290.517  120.781   0.2433   0.5328   0.5170   0.6856  -0.1738   0.8466  347.832  139.874  300.172  137.188 47.66052 195.9219 
1 1 1   21   13   11 o  384.124  100.035   0.7818   0.3571   1.1052   0.4898   0.4151   0.5216  448.361  117.359  313.056  123.268 135.3058 170.2007 
1 1 1   21   13   12 o  404.396  104.632   0.8852   0.3923   1.2466   0.5594   0.5354   0.5504  466.603  126.920  332.108  127.794 134.4952 180.1111 
1 1 1   21   13   13 o  169.985   79.484  -0.2353   0.3091  -0.6453   0.3765   0.6119   0.5412  156.666   76.809  338.794  127.581 -182.1286 148.9184 
1 1 1   21   13   14 o  848.497   68.617   3.6041   0.5311   3.3056   0.6156   4.4739   1.0508  795.194   85.469  850.749  139.040 -55.55536 163.2091 
1 1 1   21   13   15 o  310.966  108.807   0.5677   0.3840   0.5953   0.4850   0.5212   0.6285  316.013  120.348  309.996  130.200 6.016571 177.3012 
1 1 1   21   13   16 o  362.826  111.777   0.8573   0.4100   1.2501   0.5246   0.2407   0.6572  423.371  125.609  268.462  121.989 154.9088 175.0972 
1 1 1   21   13   17 o  614.813  120.148   2.5865   0.6553   2.6901   0.8333   2.4185   1.0611  548.914  157.037  430.069  173.634 118.8450 234.1141 
1 1 1   21   15    0 o  543.492  136.710   1.6632   0.6831   1.2167   0.9178   2.2176   1.0227  456.790  167.214  595.296  175.051 -138.5053 242.0815 
1 1 1   21   15    1 o  472.630  137.298   1.2694   0.6326   1.8009   0.9186   0.7901   0.8723  539.914  167.470  398.813  158.654 141.1011 230.6888 
1 1 1   21   15    2 o  609.153   54.522   1.7734   0.3024   1.6652   0.3171   2.8577   1.0037  588.081   59.416  690.054  161.011 -101.9731 171.6238 
1 1 1   21   15    3 o  343.212   69.814   0.5885   0.2130   0.5999   0.2196   0.4079   0.8749  346.076   71.325  354.226  151.382 -8.149292 167.3437 
1 1 1   21   15    4 f  229.681   71.944   0.2570   0.1691   0.2969   0.2132   0.1893   0.2775  247.540   81.119  230.621   90.181 16.91925 121.2966 
1 1 1   21   15    5 o  383.491   57.877   0.7157   0.1979   0.8057   0.2424   0.5357   0.3427  403.616   67.655  321.566  102.635 82.05017 122.9277 
1 1 1   21   15    6 o  527.045   51.941   1.3276   0.2486   1.2596   0.3038   1.4655   0.4326  507.206   66.713  534.814   91.176 -27.60803 112.9765 
1 1 1   21   15    7 o  482.050   59.219   1.1240   0.2572   0.9423   0.3078   1.5437   0.4678  432.081   80.382  546.573   96.550 -114.4926 125.6308 
1 1 1   21   15    8 o  1083.44   41.805   5.4992   0.4168   4.8985   0.4955   6.9521   0.7706  1015.68   53.202  1197.04   70.271 -181.3630 88.13911 
1 1 1   21   15    9 o  410.550   85.300   0.8604   0.3117   0.8761   0.4037   0.8371   0.4906  405.155  106.772  391.905  122.528 13.24948 162.5219 
1 1 1   21   15   10 o  542.199  110.074   1.5732   0.5304   1.6801   0.6103   1.2433   1.0722  551.157  123.414  452.303  177.154 98.85388 215.9042 
1 1 1   21   15   11 o  1236.34   46.691   7.2228   0.5312   6.9829   0.6664   7.6406   0.8795  1205.26   60.092  1241.50   77.375 -36.24011 97.96885 
1 1 1   21   15   12 o  334.218  100.002   0.6038   0.3315   0.6048   0.4126   0.6019   0.5568  333.545  112.932  338.642  128.954 -5.096313 171.4137 
1 1 1   21   15   13 o  285.505  113.772   0.3724   0.4493   0.2868   0.5855   0.4950   0.7007  289.444  123.773  325.364  137.105 -35.92023 184.7088 
1 1 1   21   15   14 o  198.615   89.879  -0.0619   0.3523  -0.2791   0.4528   0.2714   0.5609  200.569   94.542  276.287  119.671 -75.71806 152.5101 
1 1 1   21   15   15 o  240.656  100.969   0.2368   0.3773   0.3537   0.5050   0.0890   0.5678  270.870  115.365  247.865  112.922 23.00485 161.4324 
1 1 1   21   15   16 o  217.679   96.364   0.1216   0.3817  -0.2809   0.4882   0.7547   0.6123  196.882   94.312  312.138  129.601 -115.2556 160.2851 
1 1 1   21   17    0 o  428.664  145.434   1.0339   0.6842   0.1379   0.8866   2.3530   1.0758  333.604  147.311  607.900  179.761 -274.2960 232.4106 
1 1 1   21   17    1 o  638.347  137.732   2.2932   0.7853   2.7717   1.1616   1.8904   1.0657  653.618  184.868  540.514  181.512 113.1036 259.0813 
1 1 1   21   17    2 o  460.332  149.683   1.2411   0.7264   1.4174   0.9784   1.0245   1.0843  478.799  173.047  433.399  175.327 45.40021 246.3429 
1 1 1   21   17    3 o  202.897   70.442   0.1840   0.1608   0.2090   0.1632  -0.6375   0.9350  212.033   71.035  283.165  134.189 -71.13214 151.8310 
1 1 1   21   17    4 o  559.082   38.618   1.4676   0.1975   1.3758   0.2420   1.6507   0.3416  537.759   49.452  582.958   64.783 -45.19916 81.50017 
1 1 1   21   17    5 o  401.628   57.100   0.7812   0.2051   0.6522   0.2445   1.0873   0.3767  359.661   76.245  459.369   92.310 -99.70789 119.7265 
1 1 1   21   17    6 o  468.098   57.162   1.0558   0.2411   1.0209   0.2962   1.1241   0.4151  453.796   73.439  463.662  100.212 -9.866608 124.2409 
1 1 1   21   17    7 o  272.138   87.632   0.3652   0.2494   0.0755   0.3093   0.9034   0.4215  217.024   91.254  410.948  109.498 -193.9237 142.5375 
1 1 1   21   17    8 o  243.511   89.694   0.2535   0.2647  -0.0676   0.3248   0.8878   0.4565  198.746   88.390  404.238  116.412 -205.4923 146.1662 
1 1 1   21   17    9 o  260.918   91.398   0.3206   0.2710   0.6442   0.3454  -0.1970   0.4368  348.958  101.484  214.405   98.198 134.5529 141.2161 
1 1 1   21   17   10 o  239.648   91.761   0.2310   0.2829  -0.1871   0.3422   1.1337   0.5028  187.316   86.202  449.118  119.547 -261.8021 147.3848 
1 1 1   21   17   11 o  387.418  110.407   0.8404   0.4127   1.0826   0.4704   0.0314   0.8599  436.773  115.340  306.288  139.314 130.4849 180.8639 
1 1 1   21   17   12 o  462.216   85.844   1.1301   0.3517   0.8409   0.4327   1.6928   0.6036  379.409  114.419  531.609  125.424 -152.1999 169.7737 
1 1 1   21   17   13 o  489.114  109.464   1.4067   0.4804   1.4423   0.6769   1.3705   0.6818  452.749  144.232  439.272  145.118 13.47711 204.6025 
1 1 1   21   17   14 o  495.965   84.396   1.3577   0.3714   1.9392   0.5126   0.7155   0.5387  575.614  100.436  326.018  126.157 249.5951 161.2546 
1 1 1   21   17   15 o  320.555  109.538   0.6911   0.3882   0.5808   0.5178   0.8326   0.5866  292.398  120.068  326.065  129.976 -33.66733 176.9467 
1 1 1   21   19    0 o  283.627  126.647  -0.0538   0.6739   1.4878   1.0182  -1.2557   0.8991  493.134  176.738  247.586  120.807 245.5484 214.0810 
1 1 1   21   19    1 o  1200.03  100.437   7.3205   1.0989   7.2928   1.4762   7.3549   1.6456  1144.65  143.294  1120.57  164.492 24.08081 218.1529 
1 1 1   21   19    2 o  254.467  116.579  -0.2400   0.6163   0.0758   0.7790  -0.7686   1.0077  312.802  138.105  289.277  137.723 23.52475 195.0395 
1 1 1   21   19    3 o  416.918   72.647   0.8622   0.2686   0.8119   0.2763   1.7258   1.1457  402.467   77.410  517.805  187.237 -115.3381 202.6079 
1 1 1   21   19    4 f  769.145   53.661   2.8115   0.3774   2.5757   0.3908   6.0690   1.4527  733.899   58.354  1023.75  159.394 -289.8550 169.7398 
1 1 1   21   19    5 o  311.144   83.000   0.4926   0.2420   0.4621   0.2481   1.0926   1.1000  301.544   85.489  445.034  177.800 -143.4894 197.2844 
1 1 1   21   19    6 o  740.498   58.919   2.6272   0.3981   2.6885   0.4927   2.5118   0.6759  741.333   73.182  691.892  109.835 49.44135 131.9819 
1 1 1   21   19    7 o  348.375   74.787   0.6118   0.2326   0.7560   0.3174   0.4446   0.3418  381.506   91.572  299.750  102.784 81.75656 137.6590 
1 1 1   21   19    8 f  889.502   41.330   3.7135   0.3383   3.2506   0.4454   4.3444   0.5200  821.819   59.301  950.289   59.769 -128.4694 84.19581 
1 1 1   21   19    9 o  258.732   89.152   0.3252   0.2573   0.3266   0.3466   0.3234   0.3840  270.479  102.048  275.157  106.497 -4.677582 147.4969 
1 1 1   21   19   10 o  527.872   69.936   1.3945   0.3313   1.4175   0.4296   1.3608   0.5205  516.586   93.842  487.748  117.384 28.83841 150.2847 
1 1 1   21   19   11 o  595.306   82.272   1.8481   0.4386   2.2351   0.5716   1.2937   0.6841  637.933  100.712  439.077  145.384 198.8561 176.8597 
1 1 1   21   19   12 o  706.329   61.681   2.4972   0.3969   2.1541   0.5228   2.9636   0.6096  624.463   93.897  735.618   92.078 -111.1550 131.5103 
1 1 1   21   19   13 o  490.159  114.120   1.5167   0.5051   3.0334   0.7889   0.4632   0.6575  670.115  132.639  293.217  128.246 376.8983 184.5001 
1 1 1   21   19   14 o  208.563   92.836   0.0789   0.3591  -0.2780   0.4781   0.5406   0.5438  195.559   93.587  286.254  120.711 -90.69513 152.7411 
1 1 1   21   21    0 o  534.172  190.278   1.7909   1.1785   0.0000   0.0000   1.7909   1.1785  ?   ?   534.172  190.278 0.000000 190.2784 
1 1 1   21   21    1 o  805.140  185.282   3.9988   1.3442   0.0000   0.0000   3.9988   1.3442  ?   ?   805.140  185.282 0.000000 185.2822 
1 1 1   21   21    2 o  347.105  159.477  -0.1970   1.1647   0.0000   0.0000  -0.1970   1.1647  ?   ?   347.105  159.477 0.000000 159.4775 
1 1 1   21   21    3 o  1266.08   36.995   7.4723   0.4310   8.4831   0.6582   6.7137   0.5702  1339.58   53.401  1192.56   51.963 147.0229 74.51069 
1 1 1   21   21    4 o  269.194   71.938   0.3629   0.1816   0.4438   0.2210   0.1945   0.3188  296.124   79.442  242.082   96.034 54.04193 124.6337 
1 1 1   21   21    5 o  753.527   42.944   2.6716   0.2965   2.9606   0.3691   2.1459   0.4979  789.806   51.067  654.331   84.676 135.4747 98.88300 
1 1 1   21   21    6 o  604.189   53.939   1.7477   0.2967   1.8009   0.3614   1.6379   0.5196  607.795   65.671  556.005  105.425 51.79022 124.2058 
1 1 1   21   21    7 o  353.470   87.009   0.6519   0.2811   1.1610   0.3429  -0.3909   0.4908  478.023   80.842  208.873   98.447 269.1501 127.3863 
1 1 1   21   21    8 o  191.606   84.405  -0.0236   0.2894   0.1988   0.3378  -0.6369   0.5609  242.280   97.913  206.006   99.299 36.27385 139.4536 
1 1 1   21   21    9 o  433.783   87.746   0.9987   0.3382   0.9079   0.4076   1.1995   0.6059  399.970  108.156  437.563  136.061 -37.59259 173.8109 
1 1 1   21   21   10 o  269.322   99.673   0.3688   0.3275   0.5756   0.3925  -0.1056   0.5945  317.513  110.070  245.964  113.350 71.54956 157.9987 
1 1 1   21   21   11 o  208.570   94.352  -0.0347   0.3879   0.4578   0.5027  -0.7593   0.6098  291.953  118.915  199.463   97.783 92.48961 153.9554 
1 1 1   21   21   12 o  465.858   92.106   1.2537   0.3808   1.7473   0.5246   0.7039   0.5537  527.657  111.541  318.635  126.514 209.0221 168.6626 
1 1 1   21   21   13 o  275.312  113.988   0.4840   0.4718   0.3170   0.6807   0.6384   0.6544  265.461  121.949  295.186  128.555 -29.72525 177.1943 
1 1 1   21   23    0 o  610.068   45.073   1.7530   0.2512   1.7119   0.3202   1.8189   0.4052  597.961   58.962  610.084   73.674 -12.12256 94.36330 
1 1 1   21   23    1 f  529.554   45.248   1.3244   0.2184   1.2419   0.2733   1.4701   0.3631  507.869   59.623  546.953   74.040 -39.08438 95.06221 
1 1 1   21   23    2 o  290.044   57.880   0.4131   0.1491   0.4141   0.1703   0.4095   0.3084  288.464   65.626  289.368   97.648 -0.9040527 117.6512 
1 1 1   21   23    3 o  624.248   41.801   1.8343   0.2387   2.0522   0.2928   1.4019   0.4124  657.855   48.710  524.859   88.539 132.9964 101.0536 
1 1 1   21   23    4 o  1157.72   36.429   6.2614   0.3881   6.5202   0.4820   5.7845   0.6543  1177.02   44.504  1092.89   65.364 84.13696 79.07596 
1 1 1   21   23    5 o  216.275   84.988   0.1631   0.2475   0.1998   0.2851   0.0508   0.4983  233.133   91.343  255.254  111.642 -22.12041 144.2482 
1 1 1   21   23    6 o  574.704   63.790   1.6223   0.3316   1.3064   0.3900   2.4476   0.6304  501.331   87.734  674.717  104.945 -173.3862 136.7866 
1 1 1   21   23    7 o  269.645   96.557   0.3614   0.3039   0.7236   0.3677  -0.4187   0.5396  359.825  104.720  214.388  101.696 145.4369 145.9740 
1 1 1   21   23    8 o  436.303   88.306   1.0247   0.3424   0.7898   0.4071   1.5918   0.6326  367.415  111.031  500.618  134.474 -133.2030 174.3878 
1 1 1   21   23    9 o  729.497   63.389   2.6746   0.4213   3.0481   0.5112   1.8842   0.7437  768.552   73.170  513.545  148.780 255.0063 165.7993 
1 1 1   21   23   10 o  406.059  106.153   1.0102   0.4011   1.0844   0.4879   0.8554   0.7045  403.336  121.464  341.423  140.114 61.91278 185.4333 
1 1 1   21   23   11 o  508.693  105.383   1.6097   0.4771   2.0702   0.6387   1.0288   0.7174  540.513  130.014  346.175  141.648 194.3372 192.2699 
1 1 1   21   23   12 o  238.099  104.883   0.2450   0.4468   0.2548   0.5766   0.2302   0.7067  249.713  113.776  256.172  119.912 -6.458817 165.2997 
1 1 1   21   25    0 o  217.677   83.294   0.1777   0.2330   0.2798   0.2717  -0.1056   0.4528  251.111   91.127  229.149  102.957 21.96207 137.4934 
1 1 1   21   25    1 o  247.616   83.401   0.2939   0.2250   0.3593   0.2590   0.0926   0.4543  269.996   89.453  253.317  108.694 16.67891 140.7705 
1 1 1   21   25    2 o  572.609   60.302   1.5911   0.3130   1.5808   0.4023   1.6068   0.4981  559.940   80.377  550.678  102.061 9.261658 129.9111 
1 1 1   21   25    3 o  230.936   92.287   0.1815   0.2964   1.0703   0.4369  -0.5767   0.4035  441.078  108.418  170.027   82.501 271.0516 136.2383 
1 1 1   21   25    4 o  654.895   53.584   2.0691   0.3201   2.3146   0.3781   1.4478   0.6015  688.751   60.258  492.603  130.579 196.1473 143.8116 
1 1 1   21   25    5 o  398.767   83.085   0.8375   0.2950   0.7295   0.3654   1.0395   0.4999  360.345  104.252  417.349  122.285 -57.00412 160.6930 
1 1 1   21   25    6 o  495.019   78.527   1.2774   0.3458   1.3075   0.4311   1.2231   0.5788  483.951  100.120  436.806  132.466 47.14432 166.0463 
1 1 1   21   25    7 o  408.004   93.431   0.9348   0.3432   0.7846   0.4149   1.2604   0.6109  358.536  112.768  428.459  137.076 -69.92331 177.5001 
1 1 1   21   25    8 o  198.922   90.042  -0.0351   0.3539  -0.0740   0.4282   0.0487   0.6286  210.672   96.757  254.020  116.876 -43.34802 151.7294 
1 1 1   21   25    9 o  370.623  110.449   0.8989   0.4049   0.9364   0.4782   0.8040   0.7613  364.268  121.595  322.252  139.498 42.01599 185.0547 
1 1 1   21   25   10 o  256.307  106.106   0.3773   0.4087   0.3388   0.4983   0.4563   0.7143  255.988  111.814  277.580  126.534 -21.59267 168.8587 
1 1 1   21   27    0 o  649.355   60.480   2.0565   0.3572   1.8627   0.4352   2.4569   0.6254  605.206   80.117  675.974  103.868 -70.76764 131.1763 
1 1 1   21   27    1 o  236.691   92.475   0.2229   0.2916   0.0570   0.3584   0.5479   0.5016  221.654   95.833  323.287  122.571 -101.6320 155.5881 
1 1 1   21   27    2 o  212.519   91.259   0.0662   0.3207  -0.2171   0.4160   0.4814   0.5036  201.395   93.512  309.109  121.308 -107.7142 153.1668 
1 1 1   21   27    3 o  575.139   80.484   1.7238   0.4143   0.9541   0.5679   2.5989   0.6056  387.538  132.498  689.426   98.244 -301.8879 164.9469 
1 1 1   21   27    4 f  387.133  111.791   0.9012   0.4205   1.4750   0.6440   0.4748   0.5551  466.604  139.338  303.113  124.381 163.4911 186.7773 
1 1 1   21   27    5 o  288.171  113.386   0.4562   0.4410  -0.4143   0.6480   1.2073   0.6019  226.029  108.376  414.497  136.331 -188.4675 174.1591 
1 1 1   21   27    6 o  736.828   62.010   2.7635   0.4165   2.3022   0.5077   3.7131   0.7285  642.328   88.229  794.889  101.945 -152.5613 134.8220 
1 1 1   21   27    7 o  189.978   86.724  -0.0454   0.3371  -0.4960   0.4018   1.0240   0.6190  165.176   80.633  357.349  135.998 -192.1730 158.1054 
1 1 1   21   27    8 o  196.548   91.497  -0.0831   0.4024  -0.0648   0.5051  -0.1148   0.6657  215.421  101.008  231.845  110.809 -16.42351 149.9378 
1 1 1   21   29    0 o  406.981   98.206   0.9400   0.3636   0.8761   0.4331   1.0925   0.6690  379.650  114.469  395.931  143.089 -16.28159 183.2426 
1 1 1   21   29    1 o  252.563  100.846   0.2924   0.3537   0.2454   0.4442   0.3737   0.5845  256.579  108.698  288.417  123.507 -31.83829 164.5270 
1 1 1   21   29    2 o  398.186  108.595   0.9720   0.4089   0.3967   0.5229   1.8775   0.6560  282.297  118.669  524.423  135.105 -242.1261 179.8213 
1 1 1   21   29    3 o  176.837   84.864  -0.3580   0.3993  -0.5050   0.5616  -0.2077   0.5678  201.215   97.565  222.554  105.199 -21.33862 143.4769 
1 1 1   21   29    4 o  230.606  102.480   0.1305   0.4358   0.6235   0.6517  -0.2681   0.5861  304.090  130.325  217.700  104.027 86.39008 166.7525 
1 1 1   21   29    5 f  236.770  106.002   0.1714   0.4754  -0.1670   0.7362   0.4135   0.6227  238.703  114.733  273.963  122.077 -35.25941 167.5305 
1 1 1   21   29    6 o  260.895  116.693   0.3651   0.5748   0.1233   0.9530   0.5034   0.7206  263.444  127.582  278.611  127.036 -15.16739 180.0426 
1 1 1   21   31    0 o  636.986  155.071   3.2121   0.9004   0.0000   0.0000   3.2121   0.9004  ?   ?   636.986  155.071 0.000000 155.0708 
1 1 1   21   31    1 o  288.826  143.512  -0.0455   1.4767  -0.0455   1.4767   0.0000   0.0000  288.826  143.512  ?   ?  0.000000 143.5122 
1 1 1   22    0    0 o  189.877  125.543  -0.0757   0.5710  -0.0757   0.5710  -0.0757   0.5710  189.877  125.543  189.877  125.543 0.000000 0.000000 
1 1 1   22    0    1 f  168.552  113.717  -0.1855   0.5118  -0.1855   0.5118  -0.1855   0.5118  168.552  113.717  168.552  113.717 0.000000 0.000000 
1 1 1   22    0    2 o  149.603  105.147  -0.5581   0.5596  -0.5581   0.5596  -0.5581   0.5596  149.603  105.147  149.603  105.147 0.000000 0.000000 
1 1 1   22    0    3 o  573.002   96.839   1.6854   0.4668   1.6854   0.4668   1.6854   0.4668  573.002   96.839  573.002   96.839 0.000000 0.000000 
1 1 1   22    0    4 o  240.553  128.275   0.4179   0.3859   0.4179   0.3859   0.4179   0.3859  240.553  128.275  240.553  128.275 0.000000 0.000000 
1 1 1   22    0    5 o  632.413   83.510   1.9889   0.4624   1.9889   0.4624   1.9889   0.4624  632.413   83.510  632.413   83.510 0.000000 0.000000 
1 1 1   22    0    6 o  324.516  149.982   0.7694   0.4937   0.7694   0.4937   0.7694   0.4937  324.516  149.982  324.516  149.982 0.000000 0.000000 
1 1 1   22    0    7 o  781.215  101.435   3.0710   0.6952   3.0710   0.6952   3.0710   0.6952  781.215  101.435  781.215  101.435 0.000000 0.000000 
1 1 1   22    0    8 o  265.499  125.361   0.5055   0.3462   0.5055   0.3462   0.5055   0.3462  265.499  125.361  265.499  125.361 0.000000 0.000000 
1 1 1   22    0    9 o  579.363   97.899   1.7266   0.4772   1.7266   0.4772   1.7266   0.4772  579.363   97.899  579.363   97.899 0.000000 0.000000 
1 1 1   22    0   10 o  231.235  131.494   0.3615   0.4356   0.3615   0.4356   0.3615   0.4356  231.235  131.494  231.235  131.494 0.000000 0.000000 
1 1 1   22    0   11 o  365.042  125.428   0.8270   0.3789   0.8270   0.3789   0.8270   0.3789  365.042  125.428  365.042  125.428 0.000000 0.000000 
1 1 1   22    0   12 o  236.161  129.981   0.3871   0.4089   0.3871   0.4089   0.3871   0.4089  236.161  129.981  236.161  129.981 0.000000 0.000000 
1 1 1   22    0   13 o  458.673  135.447   1.2392   0.4970   1.2392   0.4970   1.2392   0.4970  458.673  135.447  458.673  135.447 0.000000 0.000000 
1 1 1   22    0   14 o  141.446   98.357  -0.3696   0.4538  -0.3696   0.4538  -0.3696   0.4538  141.446   98.357  141.446   98.357 0.000000 0.000000 
1 1 1   22    0   15 o  904.019   86.682   3.9876   0.7058   3.9876   0.7058   3.9876   0.7058  904.019   86.682  904.019   86.682 0.000000 0.000000 
1 1 1   22    0   16 o  611.255  132.172   2.0696   0.6520   2.0696   0.6520   2.0696   0.6520  611.255  132.172  611.255  132.172 0.000000 0.000000 
1 1 1   22    0   17 o  358.671  190.249   1.1160   0.8450   1.1160   0.8450   1.1160   0.8450  358.671  190.249  358.671  190.249 0.000000 0.000000 
1 1 1   22    0   18 o  211.800  135.758   0.1822   0.5982   0.1822   0.5982   0.1822   0.5982  211.800  135.758  211.800  135.758 0.000000 0.000000 
1 1 1   22    2    0 o  270.134   92.018   0.3355   0.2739   0.4119   0.3980   0.2667   0.3775  305.436  110.377  272.776  105.593 32.66034 152.7514 
1 1 1   22    2    1 o  1245.78   43.664   7.2415   0.5005   7.1636   0.7071   7.3197   0.7086  1228.49   62.760  1243.74   61.920 -15.24622 88.16348 
1 1 1   22    2    2 o  431.723   79.262   0.9255   0.3033   0.9132   0.4406   0.9367   0.4180  417.030  112.318  423.955  107.118 -6.924866 155.2078 
1 1 1   22    2    3 o  843.531   62.051   3.4031   0.4783   3.5821   0.5726   2.9901   0.8697  859.327   73.110  743.681  131.921 115.6459 150.8253 
1 1 1   22    2    4 o  643.132   88.216   2.0761   0.5083   2.0761   0.5083   0.0000   0.0000  643.132   88.216  ?   ?  0.000000 88.21611 
1 1 1   22    2    5 o  675.609   59.102   2.1914   0.3637   2.4503   0.4812   1.8464   0.5555  705.885   75.250  593.752  105.538 112.1326 129.6183 
1 1 1   22    2    6 o  224.963   86.148   0.1921   0.2493  -0.0585   0.3535   0.4404   0.3518  208.272   92.438  299.458  104.185 -91.18658 139.2812 
1 1 1   22    2    7 o  758.239   51.090   2.7342   0.3544   2.5755   0.5136   2.8785   0.4896  720.002   78.803  767.298   70.124 -47.29651 105.4865 
1 1 1   22    2    8 o  718.284   60.987   2.4911   0.3993   2.5201   0.6560   2.4740   0.5032  691.168  106.574  704.911   78.936 -13.74261 132.6230 
1 1 1   22    2    9 o  788.122   52.465   2.9611   0.3783   2.6811   0.5181   3.2808   0.5536  734.632   77.835  815.667   74.588 -81.03485 107.8040 
1 1 1   22    2   10 o  238.999   89.496   0.2373   0.2656  -0.1867   0.3478   0.8301   0.4113  190.075   87.264  391.852  109.720 -201.7770 140.1910 
1 1 1   22    2   11 o  779.524   54.915   2.8990   0.3914   2.9733   0.5368   2.8147   0.5719  777.124   76.036  750.456   84.280 26.66766 113.5100 
1 1 1   22    2   12 o  1050.35   49.543   5.2068   0.4788   4.5090   0.6275   6.1796   0.7409  962.315   71.372  1126.87   71.826 -164.5532 101.2568 
1 1 1   22    2   13 o  501.576   75.264   1.2518   0.3366   1.1382   0.4712   1.3704   0.4812  458.050  112.585  507.606  106.419 -49.55685 154.9204 
1 1 1   22    2   14 o  592.671   71.970   1.7411   0.3844   2.4758   0.5900   1.1991   0.5068  690.846   95.358  462.845  118.486 228.0011 152.0926 
1 1 1   22    2   15 o  386.626  102.899   0.8252   0.3725   1.1298   0.5326   0.5333   0.5213  437.138  125.692  323.090  124.356 114.0475 176.8132 
1 1 1   22    2   16 o  141.360   70.585  -0.8716   0.3759  -0.7063   0.6593  -0.9513   0.4576  216.570  105.170  159.390   79.311 57.18045 131.7225 
1 1 1   22    2   17 o  341.745  113.785   0.7353   0.4188   1.7644   0.6583   0.0356   0.5429  502.580  138.101  243.019  110.598 259.5613 176.9289 
1 1 1   22    2   18 o  963.033   84.018   5.2010   0.7371   5.2912   0.9160   5.0353   1.2415  913.821  111.225  720.391  186.003 193.4296 216.7214 
1 1 1   22    4    0 o  1020.99   50.981   4.8848   0.4790   5.6861   0.6406   3.8690   0.7213  1094.20   63.901  888.341   89.454 205.8591 109.9336 
1 1 1   22    4    1 o  170.722   77.617  -0.1385   0.2665  -0.3503   0.3534   0.1407   0.4058  176.989   83.457  255.278  105.711 -78.28894 134.6840 
1 1 1   22    4    2 o  606.961   67.358   1.7789   0.3699   1.9323   0.4817   1.5587   0.5773  623.957   86.199  542.060  119.001 81.89709 146.9404 
1 1 1   22    4    3 f  516.375   72.361   1.3071   0.3344   0.8065   0.4305   2.0686   0.5310  390.076  113.247  640.479   92.797 -250.4030 146.4108 
1 1 1   22    4    4 o  247.230   87.389   0.2765   0.2481   0.2709   0.3664   0.2813   0.3372  266.792  103.816  263.662  100.368 3.129639 144.4002 
1 1 1   22    4    5 o  416.571   92.392   0.8985   0.3449   0.8610   0.3837   1.0561   0.7866  403.091  103.055  429.564  155.176 -26.47360 186.2794 
1 1 1   22    4    6 o  335.262   99.590   0.5883   0.3296   0.6740   0.3766   0.3076   0.6816  356.207  106.594  319.921  135.041 36.28607 172.0417 
1 1 1   22    4    7 o  355.824   83.903   0.6511   0.2702   0.8969   0.4202   0.4778   0.3529  407.091  109.702  307.661  104.448 99.42905 151.4724 
1 1 1   22    4    8 o  673.170   56.796   2.1761   0.3485   1.6851   0.4616   2.8274   0.5316  573.689   90.430  754.934   77.635 -181.2447 119.1836 
1 1 1   22    4    9 o  167.227   76.454  -0.1400   0.2632  -0.1275   0.4481  -0.1466   0.3252  224.571  101.518  187.608   85.465 36.96219 132.7034 
1 1 1   22    4   10 o  613.046   61.920   1.8191   0.3445   1.9415   0.4708   1.6780   0.5055  620.877   84.610  566.771  100.604 54.10559 131.4534 
1 1 1   22    4   11 o  574.398   64.005   1.6005   0.3325   1.6816   0.4509   1.5037   0.4924  576.591   87.750  535.397  103.700 41.19446 135.8449 
1 1 1   22    4   12 o  503.092   75.731   1.2569   0.3397   0.8765   0.4556   1.7332   0.5098  401.826  116.461  578.560   99.344 -176.7346 153.0759 
1 1 1   22    4   13 o  517.559   77.902   1.3397   0.3595   1.6374   0.5148   1.0564   0.5022  556.995  104.284  436.159  120.926 120.8351 159.6816 
1 1 1   22    4   14 o  231.632   93.744   0.1671   0.3101   0.0835   0.4299   0.2578   0.4478  244.738  105.384  274.061  112.000 -29.32315 153.7848 
1 1 1   22    4   15 o  177.438   85.663  -0.5244   0.4213  -0.2111   0.7330  -0.6789   0.5149  266.966  124.017  191.064   92.819 75.90103 154.9057 
1 1 1   22    4   16 o  387.949  124.566   0.9426   0.5042   0.6863   0.6709   1.2753   0.7642  339.852  137.761  419.797  152.750 -79.94473 205.6955 
1 1 1   22    4   17 o  279.242  110.894   0.4299   0.4255   0.1103   0.4853   1.4919   0.8846  240.789  107.499  408.007  160.569 -167.2181 193.2321 
1 1 1   22    4   18 o  280.035  117.514   0.4907   0.5113   0.4815   0.5966   0.5164   0.9921  281.122  122.581  294.488  139.157 -13.36581 185.4476 
1 1 1   22    6    0 o  434.822   78.377   0.9347   0.3021   0.9572   0.4278   0.9123   0.4266  429.303  108.301  418.788  109.469 10.51450 153.9888 
1 1 1   22    6    1 o  251.792   88.643   0.2834   0.2550   0.5150   0.3996   0.1242   0.3313  324.946  111.135  233.618   96.003 91.32814 146.8588 
1 1 1   22    6    2 f  520.022   62.045   1.3031   0.2910   1.6018   0.4471   1.0836   0.3834  564.995   88.940  460.658   93.631 104.3365 129.1400 
1 1 1   22    6    3 o  243.568   85.943   0.2670   0.2399   1.1095   0.4141  -0.1586   0.2943  461.820  100.314  177.003   80.892 284.8167 128.8661 
1 1 1   22    6    4 o  336.538   84.855   0.5800   0.2627   0.8464   0.3989   0.3759   0.3491  398.952  106.625  285.561  103.341 113.3918 148.4865 
1 1 1   22    6    5 o  341.448   85.156   0.5990   0.2666   0.7679   0.4213   0.4862   0.3444  378.019  112.658  310.132  103.176 67.88699 152.7650 
1 1 1   22    6    6 o  476.238   71.413   1.1222   0.3033   1.1117   0.4063   1.1355   0.4558  460.198   98.894  459.363  109.402 0.8352661 147.4749 
1 1 1   22    6    7 o  252.505  100.818   0.2191   0.3534   0.2191   0.3534   0.0000   0.0000  252.505  100.818  ?   ?  0.000000 100.8184 
1 1 1   22    6    8 o  530.982   66.931   1.3820   0.3198   1.2569   0.4285   1.5392   0.4803  489.342   98.572  541.904  100.009 -52.56177 140.4222 
1 1 1   22    6    9 o  465.770   71.866   1.0768   0.2981   0.8865   0.3916   1.3390   0.4597  406.980  104.141  503.171  102.755 -96.19077 146.3005 
1 1 1   22    6   10 o  902.668   60.075   3.9123   0.4961   4.1244   0.8741   3.8116   0.6026  886.196  109.523  880.731   75.075 5.465332 132.7843 
1 1 1   22    6   11 o  946.088   51.741   4.2450   0.4487   4.2450   0.5960   4.2449   0.6818  934.805   69.796  926.630   80.766 8.175781 106.7454 
1 1 1   22    6   12 o  599.028   82.031   1.7947   0.4403   1.5767   0.4980   2.5751   0.9423  549.115  102.322  655.753  158.022 -106.6382 188.2570 
1 1 1   22    6   13 o  413.624  105.693   0.9214   0.4038   0.6561   0.4731   1.6326   0.7746  351.274  120.901  517.387  152.408 -166.1128 194.5388 
1 1 1   22    6   14 o  332.356  111.069   0.5942   0.3990   0.7586   0.6036   0.4666   0.5318  368.358  135.487  316.715  124.541 51.64334 184.0300 
1 1 1   22    6   15 o  184.931   86.306  -0.2356   0.3616  -0.8304   0.5445   0.2336   0.4836  188.299   92.329  269.827  113.815 -81.52754 146.5555 
1 1 1   22    6   16 o  620.994   77.505   2.0143   0.4332   2.0848   0.5786   1.9244   0.6536  599.626  108.876  548.664  131.228 50.96191 170.5137 
1 1 1   22    6   17 o  326.881  118.745   0.7088   0.4616   1.0467   0.5506  -0.0902   0.8466  380.657  130.456  263.891  125.803 116.7657 181.2317 
1 1 1   22    6   18 o  354.711  119.481   0.9202   0.4618   1.1710   0.5983   0.5507   0.7262  374.154  135.306  287.414  129.643 86.74011 187.3900 
1 1 1   22    8    0 f  143.045   68.057  -0.2909   0.2452  -0.6203   0.3547   0.0107   0.3394  154.564   75.519  216.724   93.479 -62.15961 120.1725 
1 1 1   22    8    1 o  433.430   73.487   0.9271   0.2826   1.4830   0.4514   0.5688   0.3624  540.710   94.153  334.131  105.439 206.5794 141.3585 
1 1 1   22    8    2 o  196.149   79.167   0.0993   0.2205   0.1902   0.3573   0.0434   0.2803  250.417  100.876  203.456   86.274 46.96109 132.7374 
1 1 1   22    8    3 o  466.031   63.984   1.0570   0.2671   0.9447   0.4099   1.1399   0.3522  422.345  105.713  475.755   83.506 -53.40991 134.7164 
1 1 1   22    8    4 o  444.843   65.359   0.9683   0.2596   1.5371   0.4279   0.6372   0.3265  551.289   87.252  349.191   97.746 202.0980 131.0242 
1 1 1   22    8    5 o  968.718   44.369   4.4100   0.3955   3.5210   0.5396   5.4420   0.5814  850.309   69.573  1065.76   59.522 -215.4457 91.56007 
1 1 1   22    8    6 o  940.847   45.741   4.1681   0.3960   4.2016   0.5580   4.1341   0.5620  931.515   65.519  923.205   66.609 8.309387 93.43185 
1 1 1   22    8    7 o  1229.45   53.675   7.1833   0.6072   7.1868   0.6908   7.1717   1.2733  1222.23   61.625  1151.11  122.078 71.12280 136.7506 
1 1 1   22    8    8 o  951.112   57.064   4.3310   0.4971   4.3669   0.5669   4.2114   1.0343  949.392   65.286  867.595  133.860 81.79736 148.9322 
1 1 1   22    8    9 o  151.809   71.594  -0.2563   0.2603  -0.2797   0.3442  -0.2250   0.3977  178.814   83.698  200.831   92.606 -22.01698 124.8252 
1 1 1   22    8   10 o  781.878   54.787   2.9152   0.3917   3.2812   0.5297   2.4734   0.5818  820.308   70.867  697.445   92.977 122.8621 116.9050 
1 1 1   22    8   11 o  1012.81   67.666   4.9645   0.6270   5.3243   0.8835   4.5995   0.8900  1025.48   94.695  943.792  104.217 81.69006 140.8132 
1 1 1   22    8   12 o  589.803   72.306   1.7133   0.3842   1.3806   0.4436   2.7113   0.7683  515.336   97.120  705.419  122.829 -190.0834 156.5863 
1 1 1   22    8   13 o  230.928   97.474   0.1005   0.3551   0.8458   0.5139  -0.5807   0.4913  387.910  125.888  194.610   93.586 193.3006 156.8634 
1 1 1   22    8   14 o  253.886  103.094   0.2259   0.3764   0.7327   0.5380  -0.2602   0.5269  359.634  128.509  226.168  105.090 133.4662 166.0075 
1 1 1   22    8   15 o  245.500   97.259   0.2493   0.3266   0.4882   0.4538  -0.0074   0.4703  304.258  116.286  234.792  105.252 69.46567 156.8448 
1 1 1   22    8   16 o  184.048   87.083  -0.2789   0.3908  -0.2796   0.4569  -0.2769   0.7543  199.781   94.414  250.717  119.308 -50.93591 152.1460 
1 1 1   22    8   17 o  288.959  114.451   0.5233   0.4521   0.4722   0.5247   0.6704   0.8910  282.806  118.880  310.817  141.545 -28.01059 184.8445 
1 1 1   22   10    0 o  508.830   61.302   1.2471   0.2812   1.4094   0.4106   1.1038   0.3860  530.085   87.215  465.063   93.444 65.02240 127.8212 
1 1 1   22   10    1 o  556.211   56.065   1.4790   0.2830   1.1289   0.4127   1.7900   0.3889  466.902   99.115  605.893   71.112 -138.9905 121.9863 
1 1 1   22   10    2 o  498.015   58.209   1.1935   0.2617   1.1835   0.4111   1.2004   0.3394  478.713   96.655  491.433   77.626 -12.71915 123.9678 
1 1 1   22   10    3 o  328.164   98.931   0.5572   0.3235   0.3505   0.3506   1.7439   0.8401  280.104  103.220  537.674  158.807 -257.5699 189.4043 
1 1 1   22   10    4 o  491.886   79.135   1.2109   0.3460   1.1982   0.3838   1.2663   0.7995  484.066   89.470  460.981  157.211 23.08539 180.8875 
1 1 1   22   10    5 o  698.971   49.522   2.3190   0.3164   2.1312   0.4406   2.5190   0.4548  657.622   74.108  718.164   69.694 -60.54138 101.7313 
1 1 1   22   10    6 o  744.438   50.814   2.6348   0.3460   3.0214   0.4936   2.2614   0.4851  787.138   68.848  673.711   79.803 113.4263 105.3971 
1 1 1   22   10    7 o  595.557   58.996   1.7108   0.3191   1.7302   0.4185   1.6838   0.4930  588.451   79.307  569.329   97.627 19.12201 125.7801 
1 1 1   22   10    8 o  560.437   66.218   1.5334   0.3349   2.0601   0.4632   0.9565   0.4847  642.675   80.062  416.247  119.980 226.4282 144.2396 
1 1 1   22   10    9 o  489.833   84.831   1.2150   0.3685   1.0277   0.4034   2.1596   0.9059  441.458  101.435  594.774  161.406 -153.3159 190.6329 
1 1 1   22   10   10 o  1341.37   41.808   8.4286   0.5160   8.6136   0.6581   8.1332   0.8315  1348.71   53.027  1295.36   70.022 53.35193 87.83475 
1 1 1   22   10   11 o  627.841   71.488   1.9330   0.4056   1.8821   0.5775   1.9827   0.5699  596.289  109.278  615.829  104.290 -19.54065 151.0572 
1 1 1   22   10   12 o  933.608   58.601   4.1862   0.5009   4.2539   0.6887   4.1102   0.7298  923.056   81.938  900.816   89.213 22.23950 121.1308 
1 1 1   22   10   13 o  1011.99   53.509   4.9055   0.4965   5.4296   0.6548   4.1967   0.7615  1052.26   67.991  900.622   93.242 151.6384 115.3985 
1 1 1   22   10   14 o  167.939   78.948  -0.2540   0.3120   0.1055   0.4013  -0.8030   0.4959  237.457  102.029  178.515   87.649 58.94238 134.5073 
1 1 1   22   10   15 o  191.605   89.127  -0.1944   0.3806  -0.4786   0.4482   0.5408   0.7209  184.374   88.845  322.221  137.552 -137.8473 163.7500 
1 1 1   22   10   16 o  333.718  116.797   0.7241   0.4424   1.2514   0.5211  -0.6367   0.8372  431.078  124.447  236.727  115.738 194.3511 169.9480 
1 1 1   22   10   17 o  309.467  112.717   0.6554   0.4163   0.2027   0.5210   1.4546   0.6922  245.073  110.245  404.399  145.643 -159.3264 182.6638 
1 1 1   22   12    0 o  489.404   55.782   1.1474   0.2467   1.2868   0.3626   1.0273   0.3367  508.680   80.108  451.732   84.095 56.94751 116.1433 
1 1 1   22   12    1 o  741.483   42.477   2.5821   0.2886   2.8677   0.4572   2.3931   0.3721  771.281   65.033  707.668   57.644 63.61316 86.90273 
1 1 1   22   12    2 o  665.567   43.246   2.0850   0.2634   2.1483   0.4150   2.0423   0.3409  664.471   68.869  653.194   57.299 11.27765 89.58821 
1 1 1   22   12    3 o  220.691   76.536   0.2207   0.1898   0.5377   0.3098   0.0303   0.2401  322.668   96.701  187.333   79.662 135.3345 125.2886 
1 1 1   22   12    4 o  481.683   57.366   1.1191   0.2493   0.9330   0.3624   1.2862   0.3433  422.920   95.407  508.742   75.646 -85.82248 121.7577 
1 1 1   22   12    5 o  161.973   70.987  -0.0277   0.2024   0.1330   0.3014  -0.1595   0.2730  224.793   91.877  168.509   77.345 56.28352 120.0987 
1 1 1   22   12    6 o  256.345   82.221   0.3234   0.2197   0.3707   0.2969   0.2661   0.3266  277.067   95.758  257.063   98.552 20.00381 137.4123 
1 1 1   22   12    7 o  597.055   51.854   1.7001   0.2821   1.6528   0.3626   1.7726   0.4488  580.798   69.214  593.244   84.611 -12.44611 109.3142 
1 1 1   22   12    8 o  241.111   84.558   0.2658   0.2319   0.3603   0.2934   0.1085   0.3787  274.628   95.177  239.876  100.919 34.75208 138.7202 
1 1 1   22   12    9 o  447.362   90.063   1.0259   0.3579   0.9547   0.3962   1.3419   0.8346  425.509  102.423  473.564  160.624 -48.05530 190.5008 
1 1 1   22   12   10 o  420.397   84.283   0.8991   0.3147   1.1792   0.3925   0.3948   0.5266  478.820   92.422  312.082  123.549 166.7377 154.2922 
1 1 1   22   12   11 o  402.077   98.518   0.8546   0.3616   0.9382   0.4778   0.7425   0.5534  412.075  119.212  371.130  130.583 40.94534 176.8146 
1 1 1   22   12   12 o  663.459   77.237   2.2024   0.4627   2.8695   0.6733   1.6054   0.6369  737.865  101.885  525.761  131.881 212.1041 166.6533 
1 1 1   22   12   13 o  601.846   70.981   1.8122   0.3855   1.6070   0.4819   2.1770   0.6426  546.186   99.553  621.731  116.604 -75.54529 153.3214 
1 1 1   22   12   14 o  653.671   76.253   2.1972   0.4500   2.0762   0.5172   2.5746   0.9133  619.581   93.634  603.286  161.373 16.29462 186.5704 
1 1 1   22   12   15 o  321.784  113.117   0.6340   0.4152   0.4591   0.4839   1.1224   0.8086  290.622  117.280  378.542  152.012 -87.91998 191.9954 
1 1 1   22   12   16 o  163.551   79.436  -0.4329   0.3765  -0.9179   0.4526   0.6576   0.6787  154.160   77.048  307.267  132.362 -153.1066 153.1535 
1 1 1   22   14    0 o  221.929   86.499   0.1694   0.2547   0.0719   0.2675   1.1116   0.8321  204.801   85.401  443.132  159.665 -238.3307 181.0700 
1 1 1   22   14    1 o  283.565   90.881   0.3991   0.2685   0.5381   0.2857  -0.6467   0.7838  323.623   91.743  258.036  122.447 65.58661 153.0040 
1 1 1   22   14    2 o  1061.46   49.063   5.3124   0.4792   5.2727   0.5164   5.5586   1.2859  1053.90   53.426  992.941  145.017 60.95532 154.5449 
1 1 1   22   14    3 o  580.506   44.496   1.5915   0.2359   1.6373   0.3271   1.5419   0.3405  581.941   62.033  562.258   67.142 19.68323 91.41190 
1 1 1   22   14    4 o  686.133   40.879   2.2124   0.2569   2.1113   0.3303   2.3676   0.4089  664.828   54.464  699.367   64.258 -34.53937 84.23441 
1 1 1   22   14    5 o  293.719   74.531   0.4363   0.2018   0.3652   0.2417   0.5998   0.3664  271.014   86.170  338.376  105.906 -67.36209 136.5328 
1 1 1   22   14    6 f  435.086   60.369   0.9199   0.2352   0.9458   0.2863   0.8660   0.4124  435.764   74.045  401.752  108.860 34.01212 131.6549 
1 1 1   22   14    7 o  538.589   54.620   1.3887   0.2669   1.0973   0.3191   2.0687   0.4874  469.311   76.519  642.886   84.435 -173.5749 113.9489 
1 1 1   22   14    8 o  987.630   42.730   4.5714   0.3883   4.4668   0.4744   4.7838   0.6761  969.987   53.353  989.469   74.810 -19.48218 91.88618 
1 1 1   22   14    9 o  362.037   91.527   0.6795   0.3051   0.4973   0.3909   0.9633   0.4879  316.280  109.840  419.489  120.211 -103.2092 162.8360 
1 1 1   22   14   10 o  190.328   90.180  -0.4068   0.4220  -0.2167   0.4776  -1.0831   0.9009  222.959  102.322  252.752  122.786 -29.79303 159.8313 
1 1 1   22   14   11 f  310.368  100.520   0.5017   0.3278   0.4069   0.3978   0.7020   0.5783  294.135  109.651  361.136  132.655 -67.00095 172.1070 
1 1 1   22   14   12 o  1009.33   62.767   4.9734   0.5801   5.2043   0.8081   4.7279   0.8332  1005.12   88.265  947.618   96.912 57.49878 131.0831 
1 1 1   22   14   13 o  287.670  105.269   0.4307   0.3637   0.0903   0.4096   1.6991   0.7907  235.104  102.048  492.563  155.772 -257.4590 186.2218 
1 1 1   22   14   14 o  181.626   85.123  -0.2200   0.3580  -0.3782   0.4395   0.0919   0.6172  188.418   90.049  262.335  118.813 -73.91721 149.0823 
1 1 1   22   14   15 o  437.164  109.886   1.2058   0.4415   0.9302   0.5514   1.6981   0.7370  356.850  129.769  452.327  150.953 -95.47705 199.0647 
1 1 1   22   14   16 f  401.766  121.781   1.1803   0.4892   1.3415   0.5674   0.7133   0.9658  411.427  132.156  299.860  140.305 111.5662 192.7452 
1 1 1   22   16    0 f  393.699  135.615   0.8313   0.5953   0.4134   0.8000   1.3503   0.8913  350.957  147.117  476.779  165.839 -125.8218 221.6895 
1 1 1   22   16    1 o  1009.04   96.790   5.1564   0.8876   5.1541   1.2034   5.1592   1.3147  964.116  139.716  944.980  156.679 19.13623 209.9257 
1 1 1   22   16    2 o  951.842   44.948   4.2547   0.3937   4.1486   0.4133   5.2941   1.2935  937.396   48.075  962.044  151.099 -24.64862 158.5628 
1 1 1   22   16    3 o  624.770   45.407   1.8433   0.2593   1.7780   0.2664   3.0061   1.1245  612.765   47.628  692.756  176.040 -79.99188 182.3693 
1 1 1   22   16    4 o  250.820   71.099   0.3132   0.1716   0.4539   0.2140   0.0600   0.2872  299.431   77.191  207.874   87.696 91.55690 116.8286 
1 1 1   22   16    5 o  1269.71   35.582   7.5136   0.4157   7.5876   0.5235   7.3872   0.6840  1271.22   44.755  1244.58   59.726 26.64539 74.63387 
1 1 1   22   16    6 o  538.690   49.903   1.3791   0.2446   1.4933   0.3053   1.1747   0.4085  556.665   60.587  476.797   96.412 79.86850 113.8688 
1 1 1   22   16    7 o  234.008   86.194   0.2296   0.2444   0.4052   0.3205  -0.0143   0.3777  289.420   99.521  222.012   97.151 67.40813 139.0781 
1 1 1   22   16    8 o  576.201   62.846   1.6070   0.3278   1.8305   0.4464   1.3454   0.4829  605.309   82.281  503.757  107.457 101.5514 135.3409 
1 1 1   22   16    9 o  288.575   95.214   0.4171   0.2935   0.8058   0.3710  -0.2331   0.4799  388.872  102.308  221.807  102.078 167.0659 144.5225 
1 1 1   22   16   10 f  574.493   87.401   1.6912   0.4475   1.3939   0.4899   3.1890   1.0995  507.083  108.277  701.686  171.688 -194.6026 202.9797 
1 1 1   22   16   11 o  750.982   64.360   2.7682   0.4404   2.4793   0.5075   3.6504   0.8867  698.463   80.431  801.375  124.268 -102.9117 148.0260 
1 1 1   22   16   12 o  523.048   89.540   1.4587   0.4155   1.9601   0.5010   0.3555   0.7432  604.569   93.051  312.553  136.535 292.0156 165.2280 
1 1 1   22   16   13 o  526.546  100.030   1.5724   0.4669   1.1486   0.6438   2.0429   0.6783  404.096  140.921  560.988  133.352 -156.8920 194.0143 
1 1 1   22   16   14 o  215.455   94.987   0.0811   0.3672   0.5081   0.4635  -0.6383   0.6016  290.955  115.680  200.517   98.051 90.43871 151.6440 
1 1 1   22   16   15 o  273.729  107.658   0.4708   0.3974   0.2610   0.5057   0.8097   0.6428  249.156  110.573  317.279  132.350 -68.12328 172.4613 
1 1 1   22   18    0 o  653.305  139.656   2.3794   0.8141   1.5497   1.0841   3.4525   1.2328  502.012  182.040  747.240  181.174 -245.2280 256.8321 
1 1 1   22   18    1 o  1128.48  102.148   6.4814   1.0492   5.4757   1.3962   7.7862   1.5903  971.409  161.894  1175.98  150.409 -204.5764 220.9805 
1 1 1   22   18    2 o  428.193  146.090   1.0237   0.6904   0.7963   0.8738   1.4015   1.1264  402.224  159.175  481.645  183.418 -79.42038 242.8553 
1 1 1   22   18    3 o  248.902   86.863   0.2836   0.2446   0.2083   0.2503   1.8986   1.1592  230.171   86.740  541.372  189.078 -311.2008 208.0250 
1 1 1   22   18    4 o  163.772   67.354   0.0500   0.1632   0.0187   0.1653   1.3013   1.0458  156.893   66.375  470.150  177.285 -313.2563 189.3033 
1 1 1   22   18    5 o  731.794   41.364   2.5125   0.2774   2.3447   0.3423   2.8337   0.4735  702.334   53.362  765.156   67.960 -62.82135 86.40635 
1 1 1   22   18    6 f  1194.81   38.795   6.6675   0.4265   6.7695   0.5397   6.4978   0.6960  1198.64   48.935  1162.07   65.357 36.56360 81.64655 
1 1 1   22   18    7 o  637.176   52.273   1.9341   0.3038   1.9204   0.3722   1.9615   0.5257  628.995   65.261  618.406   95.456 10.58832 115.6324 
1 1 1   22   18    8 o  268.292   89.911   0.3531   0.2615   0.7306   0.3344  -0.2411   0.4195  371.814   96.792  204.829   94.682 166.9850 135.4008 
1 1 1   22   18    9 o  357.559   90.581   0.6743   0.2984   0.6591   0.3601   0.7075   0.5329  349.260  104.172  359.338  127.954 -10.07718 164.9970 
1 1 1   22   18   10 o  723.068   58.610   2.5439   0.3866   2.3088   0.4715   3.0266   0.6754  675.425   77.250  752.638  100.004 -77.21265 126.3657 
1 1 1   22   18   11 o  934.541   66.850   4.3568   0.5711   5.0629   0.7333   3.2688   0.9103  989.865   81.225  718.681  142.691 271.1841 164.1897 
1 1 1   22   18   12 o  656.202   64.227   2.1734   0.3828   2.5275   0.5195   1.7524   0.5664  687.737   83.821  535.849  118.058 151.8875 144.7879 
1 1 1   22   18   13 o  507.076  114.943   1.6300   0.5239   1.4288   0.7224   1.8533   0.7611  415.797  148.880  475.698  153.081 -59.90060 213.5389 
1 1 1   22   18   14 o  321.914  106.519   0.6884   0.3673   0.8310   0.4885   0.5031   0.5569  334.339  122.056  280.913  120.436 53.42566 171.4716 
1 1 1   22   20    0 o  537.454  183.763   1.7770   1.0925   0.0000   0.0000   1.7770   1.0925  ?   ?   537.454  183.763 0.000000 183.7633 
1 1 1   22   20    1 o  395.156  168.157   0.5361   1.0712   0.0000   0.0000   0.5361   1.0712  ?   ?   395.156  168.157 0.000000 168.1573 
1 1 1   22   20    2 f  524.175  189.217   1.7197   1.1693   0.0000   0.0000   1.7197   1.1693  ?   ?   524.175  189.217 0.000000 189.2168 
1 1 1   22   20    3 o  479.113  192.409   1.3305   1.2955   0.0000   0.0000   1.3305   1.2955  ?   ?   479.113  192.409 0.000000 192.4092 
1 1 1   22   20    4 o  254.063   77.712   0.3179   0.1986   0.3290   0.2023   0.0266   1.0393  257.998   78.337  345.078  155.424 -87.08084 174.0499 
1 1 1   22   20    5 o  538.267   58.506   1.3946   0.2851   1.3724   0.2934   1.7696   1.2051  532.938   60.934  517.372  191.244 15.56622 200.7167 
1 1 1   22   20    6 o  837.390   45.356   3.3095   0.3482   3.1719   0.3933   3.8079   0.7485  816.188   52.653  862.691   95.915 -46.50238 109.4170 
1 1 1   22   20    7 o  474.336   71.464   1.1197   0.3022   1.2927   0.3463   0.5662   0.6194  507.639   76.503  342.998  134.556 164.6411 154.7841 
1 1 1   22   20    8 o  486.136   63.406   1.1637   0.2769   1.2056   0.3739   1.1128   0.4120  481.480   87.625  453.672  101.255 27.80820 133.9053 
1 1 1   22   20    9 f  194.812   83.407   0.0453   0.2665   0.1011   0.3474  -0.0345   0.4152  225.208   95.799  222.092   99.272 3.115707 137.9584 
1 1 1   22   20   10 o  415.009   84.281   0.9213   0.3109   1.0375   0.4233   0.7853   0.4580  422.384  108.379  360.547  118.933 61.83725 160.9064 
1 1 1   22   20   11 o  371.762  114.146   0.8624   0.4280   1.1895   0.5561   0.3872   0.6703  419.859  130.315  295.006  129.245 124.8526 183.5378 
1 1 1   22   20   12 o  317.082  102.962   0.6246   0.3437   0.6816   0.4690   0.5585   0.5053  318.805  119.016  297.230  119.882 21.57431 168.9279 
1 1 1   22   20   13 o  266.248  113.379   0.4161   0.4876   1.4913   0.7242  -0.4754   0.6595  397.878  148.024  210.918  103.035 186.9603 180.3535 
1 1 1   22   22    0 o  520.260  169.433   1.6109   0.9306   1.3729   1.2630   1.8936   1.3764  487.910  191.909  542.386  203.613 -54.47546 279.7985 
1 1 1   22   22    1 o  684.104  150.065   2.6601   0.9187   3.5697   1.3687   1.9145   1.2393  743.341  196.955  544.354  194.993 198.9869 277.1529 
1 1 1   22   22    2 o  799.604  142.463   3.5694   1.0098   4.8356   1.4325   2.3189   1.4236  886.750  181.668  575.810  208.639 310.9390 276.6472 
1 1 1   22   22    3 o  975.244   50.936   4.5047   0.4555   4.3100   0.4711   7.3061   1.7867  952.203   53.986  1078.62  186.787 -126.4151 194.4324 
1 1 1   22   22    4 o  272.127   73.734   0.3736   0.1892   0.3083   0.2185   0.5698   0.3785  251.528   82.108  330.826  108.065 -79.29770 135.7195 
1 1 1   22   22    5 o  424.310   63.902   0.8857   0.2418   1.0098   0.2884   0.5928   0.4432  449.858   72.118  336.189  116.946 113.6689 137.3948 
1 1 1   22   22    6 o  431.557   72.505   0.9373   0.2777   0.9519   0.3318   0.9031   0.5073  427.226   87.361  396.565  124.696 30.66098 152.2527 
1 1 1   22   22    7 o  267.038   91.708   0.3597   0.2721   0.1710   0.3224   0.8278   0.5077  232.477   95.019  375.857  125.283 -143.3804 157.2400 
1 1 1   22   22    8 o  509.990   74.139   1.3324   0.3377   1.4079   0.4059   1.1624   0.6088  513.457   89.146  424.503  136.948 88.95413 163.4067 
1 1 1   22   22    9 o  231.799   95.812   0.1887   0.3325  -0.0986   0.3950   0.8869   0.6158  204.782   93.640  364.792  136.339 -160.0092 165.3986 
1 1 1   22   22   10 o  472.524   95.338   1.2821   0.4002   1.0388   0.4793   1.8423   0.7274  396.859  120.594  492.553  148.313 -95.69394 191.1535 
1 1 1   22   22   11 o  192.523   90.171  -0.1536   0.4006  -0.0290   0.5065  -0.3619   0.6547  223.408  103.540  220.817  106.650 2.591827 148.6428 
1 1 1   22   22   12 o  195.330   89.407  -0.0121   0.3614   0.1017   0.5351  -0.1076   0.4900  232.543  107.296  208.386   98.264 24.15701 145.4929 
1 1 1   22   24    0 o  292.935   76.316   0.4334   0.2078   0.6445   0.2581   0.0449   0.3502  356.295   80.613  223.158   95.580 133.1366 125.0361 
1 1 1   22   24    1 o  498.778   46.520   1.1809   0.2110   1.2842   0.2697   1.0179   0.3389  516.166   57.785  446.922   85.514 69.24310 103.2075 
1 1 1   22   24    2 o  347.244   64.003   0.5972   0.1970   0.8640   0.2483   0.1444   0.3235  418.182   66.778  231.710   94.997 186.4723 116.1192 
1 1 1   22   24    3 o  372.583   60.307   0.6827   0.1997   0.5374   0.2296   1.1330   0.4044  323.510   78.043  462.057   98.146 -138.5473 125.3926 
1 1 1   22   24    4 o  698.595   46.875   2.3241   0.2996   2.1807   0.3499   2.7178   0.5797  671.072   57.215  725.948   88.618 -54.87622 105.4831 
1 1 1   22   24    5 f  568.511   57.157   1.5766   0.2949   1.4247   0.3520   1.9349   0.5405  530.188   74.175  596.721  102.117 -66.53296 126.2132 
1 1 1   22   24    6 o  513.259   66.791   1.3247   0.3080   0.9349   0.3695   2.2120   0.5575  409.407   99.132  636.848   98.291 -227.4410 139.6005 
1 1 1   22   24    7 o  556.219   73.631   1.5996   0.3676   1.3567   0.4338   2.2181   0.6922  490.227   99.565  593.011  130.411 -102.7846 164.0737 
1 1 1   22   24    8 o  200.706   89.252   0.0123   0.3311   0.1480   0.4093  -0.2444   0.5630  235.186  102.048  222.197  104.945 12.98918 146.3807 
1 1 1   22   24    9 o  456.831   96.073   1.2306   0.3910   1.5823   0.4854   0.5806   0.6600  505.676  107.626  301.625  130.229 204.0509 168.9468 
1 1 1   22   24   10 o  427.741  107.750   1.1925   0.4239   1.2008   0.5179   1.1758   0.7379  400.328  126.003  354.290  144.159 46.03793 191.4642 
1 1 1   22   26    0 o  405.609   79.128   0.8417   0.2847   0.8358   0.3477   0.8538   0.4961  395.483   96.412  387.708  123.473 7.774597 156.6550 
1 1 1   22   26    1 o  240.615   82.889   0.2790   0.2224   0.3317   0.2609   0.1385   0.4256  259.706   89.753  249.703  106.118 10.00298 138.9840 
1 1 1   22   26    2 o  361.455   83.642   0.6884   0.2727   0.6857   0.3439   0.6930   0.4476  352.698  100.874  349.537  117.629 3.160980 154.9587 
1 1 1   22   26    3 o  169.510   77.776  -0.1339   0.2757   0.4962   0.4006  -0.7015   0.3801  304.413  110.613  152.822   75.366 151.5903 133.8481 
1 1 1   22   26    4 o  376.697   81.276   0.7562   0.2735   0.6952   0.3412   0.8657   0.4571  349.470  100.647  377.564  118.311 -28.09439 155.3298 
1 1 1   22   26    5 o  208.053   86.994   0.1222   0.2787   0.1305   0.3401   0.1051   0.4862  222.659   94.747  245.441  108.699 -22.78162 144.1962 
1 1 1   22   26    6 o  239.392   94.812   0.2676   0.3103   0.5234   0.3800  -0.2441   0.5375  296.668  107.744  216.681  102.400 79.98668 148.6427 
1 1 1   22   26    7 o  301.145  104.498   0.5648   0.3538   0.6681   0.4306   0.3501   0.6206  317.826  114.811  275.084  122.270 42.74203 167.7242 
1 1 1   22   26    8 o  724.946   68.719   2.7971   0.4529   3.3056   0.5594   1.8295   0.7717  770.420   80.082  441.556  154.272 328.8641 173.8187 
1 1 1   22   28    0 o  412.772   88.420   0.9218   0.3257   0.6676   0.3811   1.6101   0.6272  340.023  108.216  504.101  133.217 -164.0787 171.6315 
1 1 1   22   28    1 o  842.361   55.081   3.4761   0.4246   3.1611   0.5390   3.9913   0.6893  782.401   75.815  864.077   87.919 -81.67621 116.0936 
1 1 1   22   28    2 o  274.820  100.332   0.4095   0.3301   0.5980   0.4335   0.1495   0.5092  316.180  115.050  253.315  111.760 62.86473 160.3956 
1 1 1   22   28    3 o  802.189   64.020   3.2708   0.4686   2.6230   0.6259   4.0973   0.7070  668.050  105.305  859.210   90.795 -191.1602 139.0432 
1 1 1   22   28    4 o  551.403   89.923   1.7201   0.4405   1.0233   0.6630   2.2711   0.5895  361.775  139.962  609.456  109.123 -247.6812 177.4744 
1 1 1   22   28    5 o  273.384   98.978   0.4487   0.3203   0.4694   0.3809   0.3985   0.5920  277.358  106.408  275.014  120.950 2.344025 161.0943 
1 1 1   22   28    6 o  295.471  132.069   0.6410   0.7349   0.6410   0.7349   0.0000   0.0000  295.471  132.069  ?   ?  0.000000 132.0691 
1 1 1   22   30    0 o  171.127   80.128  -0.1810   0.3160  -0.1896   0.3608  -0.1527   0.6544  182.247   85.428  239.254  113.045 -57.00659 141.6937 
1 1 1   22   30    1 f  233.465   99.367   0.2083   0.3742   0.5210   0.4582  -0.4174   0.6482  290.027  115.109  218.674  105.736 71.35341 156.3019 
1 1 1   22   30    2 o  156.759   76.906  -0.5338   0.3794  -0.8425   0.4655   0.0772   0.6549  160.092   79.714  249.722  116.411 -89.62965 141.0882 
1 1 1   22   30    3 o  357.014  168.811   2.0489   1.4643   2.0489   1.4643   0.0000   0.0000  357.014  168.811  ?   ?  0.000000 168.8112 
1 1 1   23    1    0 o  795.760   63.977   3.0204   0.4645   2.5855   0.5513   4.0846   0.8624  726.575   84.009  900.272  106.146 -173.6969 135.3680 
1 1 1   23    1    1 o  552.776   82.914   1.5110   0.4087   1.7223   0.4902   1.0291   0.7404  585.290   94.219  436.805  151.189 148.4848 178.1441 
1 1 1   23    1    2 o  281.018  103.926   0.3409   0.3560   0.6051   0.4380  -0.1727   0.6107  346.068  116.373  261.663  118.378 84.40503 166.0004 
1 1 1   23    1    3 o  1011.16   48.680   4.8098   0.4529   4.4695   0.6242   5.1883   0.6582  960.582   71.127  1036.48   69.416 -75.89966 99.38610 
1 1 1   23    1    4 o  588.385   69.976   1.6909   0.3714   1.7693   0.4820   1.5762   0.5829  590.451   91.682  539.081  120.527 51.36963 151.4340 
1 1 1   23    1    5 o  314.910   90.665   0.5098   0.2769   0.5930   0.3651   0.3970   0.4251  337.288  105.734  299.191  112.974 38.09686 154.7343 
1 1 1   23    1    6 o  220.330   87.895   0.1514   0.2684   0.1324   0.4500   0.1619   0.3344  258.984  109.544  238.418   97.037 20.56581 146.3418 
1 1 1   23    1    7 o  362.715   95.318   0.6903   0.3223  -0.0064   0.5111   1.1503   0.4153  253.539  111.906  467.824   99.525 -214.2845 149.7604 
1 1 1   23    1    8 o  803.173   52.675   3.0731   0.3871   2.5494   0.5282   3.6813   0.5691  714.165   81.848  866.899   71.998 -152.7334 109.0084 
1 1 1   23    1    9 o  780.414   53.427   2.9034   0.3814   2.5118   0.5247   3.3420   0.5552  709.191   81.910  824.796   73.945 -115.6052 110.3499 
1 1 1   23    1   10 o  902.928   50.582   3.8645   0.4186   3.7684   0.5814   3.9678   0.6031  878.139   72.601  900.616   73.413 -22.47668 103.2491 
1 1 1   23    1   11 o  1664.67   44.398   13.008   0.6801   13.558   0.9699   12.476   0.9538  1683.03   62.630  1612.79   64.272 70.23267 89.74111 
1 1 1   23    1   12 o  750.323   58.946   2.7008   0.4037   2.8806   0.5680   2.5171   0.5739  760.668   82.471  705.251   90.523 55.41687 122.4576 
1 1 1   23    1   13 o  181.726   83.702  -0.1889   0.3236   0.5983   0.4766  -0.8620   0.4407  339.746  121.006  163.590   80.764 176.1558 145.4825 
1 1 1   23    1   14 o  1075.99   54.591   5.5586   0.5387   5.5447   0.7592   5.5727   0.7646  1051.05   79.080  1053.28   79.475 -2.223145 112.1151 
1 1 1   23    1   15 o  682.154   73.158   2.3545   0.4520   3.0057   0.6588   1.7750   0.6214  745.920   98.377  544.256  126.492 201.6636 160.2446 
1 1 1   23    1   16 o  249.146  105.922   0.2072   0.4243   0.7280   0.7249  -0.0642   0.5233  339.363  140.969  233.906  107.257 105.4566 177.1339 
1 1 1   23    1   17 o  287.439  121.864   0.4761   0.5590   1.5311   0.8471  -0.3378   0.7440  405.048  157.785  237.025  114.281 168.0227 194.8239 
1 1 1   23    1   18 o  500.082  145.613   2.0993   0.7107   2.2854   1.0109   1.9175   0.9995  427.375  170.546  391.214  164.242 36.16025 236.7730 
1 1 1   23    3    0 o  1838.80   46.694   15.818   0.7901   15.454   0.9780   16.502   1.3405  1808.80   58.758  1850.17   78.741 -41.36658 98.24766 
1 1 1   23    3    1 o  477.702   84.846   1.1398   0.3593   1.2127   0.4641   1.0308   0.5676  482.898  107.237  436.792  130.902 46.10599 169.2189 
1 1 1   23    3    2 f  341.502   98.045   0.5996   0.3243   0.5337   0.4236   0.6929   0.5041  329.581  114.341  366.965  124.827 -37.38376 169.2794 
1 1 1   23    3    3 o  462.490  107.117   1.1281   0.4469   1.1281   0.4469   0.0000   0.0000  462.490  107.117  ?   ?  0.000000 107.1165 
1 1 1   23    3    4 o  197.339   88.850  -0.1139   0.3393   0.1232   0.3910  -0.8358   0.6824  245.741  102.926  225.848  109.031 19.89301 149.9384 
1 1 1   23    3    5 o  719.288   55.178   2.4698   0.3624   2.2939   0.5117   2.6468   0.5134  677.398   83.890  732.402   77.345 -55.00433 114.1042 
1 1 1   23    3    6 o  787.691   51.704   2.9492   0.3727   2.8274   0.5293   3.0689   0.5248  756.652   77.098  791.362   72.892 -34.70984 106.1005 
1 1 1   23    3    7 o  257.304   90.096   0.3100   0.2633   0.6158   0.4009   0.0781   0.3491  342.011  111.196  227.145   96.304 114.8661 147.1021 
1 1 1   23    3    8 o  583.553   74.883   1.6874   0.3928   1.6689   0.6594   1.6975   0.4891  541.278  133.284  572.730   96.211 -31.45197 164.3810 
1 1 1   23    3    9 f  176.843   78.270  -0.0498   0.2517  -0.0133   0.3454  -0.0910   0.3676  212.199   92.876  207.915   93.138 4.283600 131.5320 
1 1 1   23    3   10 o  897.296   50.748   3.8162   0.4173   4.0359   0.5983   3.6081   0.5823  909.570   72.070  858.088   74.492 51.48199 103.6497 
1 1 1   23    3   11 o  709.881   59.671   2.4184   0.3862   2.2780   0.5067   2.6130   0.5965  675.994   83.212  718.414   92.371 -42.41937 124.3247 
1 1 1   23    3   12 o  580.464   70.353   1.6523   0.3681   1.3124   0.4728   2.1753   0.5865  497.252  106.544  647.161  101.850 -149.9089 147.3940 
1 1 1   23    3   13 o  587.448   73.676   1.7120   0.3895   1.8855   0.5499   1.5373   0.5518  597.024  103.865  528.939  116.517 68.08508 156.0903 
1 1 1   23    3   14 o  1508.18   50.248   10.838   0.6973   11.377   1.0107   10.349   0.9633  1517.41   72.386  1447.25   72.339 70.15332 102.3360 
1 1 1   23    3   15 o  286.996  105.674   0.4243   0.3673   0.6557   0.5396   0.2244   0.5014  338.277  127.392  269.600  114.893 68.67661 171.5489 
1 1 1   23    3   16 o  645.592  113.939   2.4855   0.6521   4.2563   1.0584   1.4019   0.8279  781.962  152.574  418.456  157.751 363.5068 219.4634 
1 1 1   23    3   17 o  652.494   99.892   2.5225   0.5807   1.7997   0.6727   4.6355   1.1501  485.662  141.732  737.256  172.585 -251.5946 223.3243 
1 1 1   23    3   18 o  460.951  177.254   2.7279   1.0584   2.7279   1.0584   0.0000   0.0000  460.951  177.254  ?   ?  0.000000 177.2536 
1 1 1   23    5    0 o  809.693   53.082   3.0971   0.3933   3.0492   0.5583   3.1443   0.5541  791.842   77.625  805.240   75.671 -13.39783 108.4056 
1 1 1   23    5    1 f  1083.00   51.355   5.5194   0.5118   5.4878   0.6657   5.5651   0.8002  1069.05   68.031  1066.49   82.172 2.562988 106.6790 
1 1 1   23    5    2 o  426.953   88.836   0.9274   0.3376   1.5999   0.4736   0.2324   0.4815  560.776   95.189  282.712  115.903 278.0642 149.9814 
1 1 1   23    5    3 o  525.932   75.771   1.3664   0.3561   0.9924   0.4821   1.8155   0.5283  428.187  118.392  593.770  100.262 -165.5834 155.1423 
1 1 1   23    5    4 o  456.994   74.054   1.0359   0.3007   0.3995   0.4422   1.5837   0.4103  302.450  114.981  563.246   81.528 -260.7959 140.9522 
1 1 1   23    5    5 o  472.609   95.720   1.1585   0.4020   0.7584   0.4459   2.8953   0.9290  375.462  116.717  708.505  147.297 -333.0434 187.9344 
1 1 1   23    5    6 o  994.050   59.704   4.7388   0.5436   4.9770   0.6379   4.1074   1.0385  1012.07   68.913  857.189  136.224 154.8787 152.6632 
1 1 1   23    5    7 o  474.122   69.365   1.1087   0.2937   1.4067   0.4257   0.8381   0.4056  523.168   91.778  394.462  108.406 128.7058 142.0386 
1 1 1   23    5    8 f  784.993   52.544   2.9347   0.3773   2.8789   0.5276   2.9932   0.5399  763.562   76.101  778.512   76.356 -14.95062 107.8038 
1 1 1   23    5    9 o  369.642   98.507   0.7195   0.3411   0.7453   0.6137   0.7079   0.4103  375.453  136.842  363.937  111.774 11.51563 176.6894 
1 1 1   23    5   10 o  548.852   65.514   1.4650   0.3243   1.0922   0.4089   2.0974   0.5325  456.836  100.045  642.295   92.796 -185.4596 136.4557 
1 1 1   23    5   11 o  723.468   60.344   2.5140   0.3981   2.2564   0.5222   2.8711   0.6149  670.509   86.672  754.747   90.337 -84.23810 125.1907 
1 1 1   23    5   12 o  408.691  104.599   0.8914   0.3950   0.5699   0.4540   1.8925   0.8013  334.753  118.224  563.029  151.383 -228.2759 192.0771 
1 1 1   23    5   13 o  185.723   86.478  -0.2517   0.3598  -0.1311   0.4176  -0.5989   0.7085  215.352   97.617  241.899  115.254 -26.54721 151.0380 
1 1 1   23    5   14 o  1728.89   49.329   14.247   0.7848   13.616   1.0710   14.978   1.1531  1661.08   70.072  1738.78   72.073 -77.70166 100.5217 
1 1 1   23    5   15 o  366.877  115.687   0.7990   0.4364   1.5278   0.7860   0.4744   0.5246  462.220  155.885  306.115  122.616 156.1055 198.3300 
1 1 1   23    5   16 o  326.199  108.354   0.6443   0.3799   0.4790   0.5051   0.8596   0.5765  294.844  119.527  355.358  132.092 -60.51465 178.1429 
1 1 1   23    5   17 o  727.159   76.236   2.8651   0.5025   3.2809   0.6688   2.3261   0.7615  739.439  100.936  542.138  148.337 197.3015 179.4215 
1 1 1   23    7    0 o  493.237   74.342   1.1940   0.3269   1.7528   0.4832   0.7221   0.4440  590.888   91.852  372.467  116.577 218.4200 148.4154 
1 1 1   23    7    1 o  502.319   82.923   1.2590   0.3699  -0.1342   0.7250   1.7493   0.4301  287.279  129.564  594.940   80.644 -307.6607 152.6116 
1 1 1   23    7    2 o  701.119   53.237   2.3349   0.3409   2.4166   0.5111   2.2695   0.4575  699.464   80.906  681.310   74.177 18.15326 109.7632 
1 1 1   23    7    3 o  905.482   46.671   3.8636   0.3875   4.1046   0.5932   3.6842   0.5119  919.628   70.636  875.101   64.014 44.52679 95.32729 
1 1 1   23    7    4 o  1160.44   43.257   6.3159   0.4619   6.6781   0.6973   6.0326   0.6166  1178.02   64.571  1122.95   59.889 55.07434 88.06820 
1 1 1   23    7    5 o  144.966   67.463  -0.1765   0.2185  -0.2985   0.3469  -0.0963   0.2812  178.044   83.555  180.328   81.071 -2.284149 116.4214 
1 1 1   23    7    6 o  523.053   72.031   1.3506   0.3375   1.3614   0.4579   1.3377   0.4993  509.355  101.268  498.456  111.638 10.89853 150.7259 
1 1 1   23    7    7 o  404.246  110.086   0.8833   0.4205   0.8833   0.4205   0.0000   0.0000  404.246  110.086  ?   ?  0.000000 110.0856 
1 1 1   23    7    8 f  405.182  100.169   0.8680   0.3713   0.7944   0.4101   1.2033   0.8755  384.103  110.248  448.330  163.437 -64.22690 197.1454 
1 1 1   23    7    9 o  287.602   90.371   0.4163   0.2665   0.4952   0.3543   0.3134   0.4045  313.038  104.664  280.384  109.086 32.65393 151.1758 
1 1 1   23    7   10 f  561.371   82.493   1.5760   0.4134   0.7980   0.6684   2.0579   0.5261  388.793  142.644  636.668   92.510 -247.8746 170.0163 
1 1 1   23    7   11 o  342.867   93.415   0.6105   0.3027   0.5735   0.4147   0.6527   0.4429  334.418  113.230  352.645  116.990 -18.22754 162.8121 
1 1 1   23    7   12 o  562.353   75.850   1.5727   0.3825   2.0604   0.5283   1.0355   0.5544  633.495   93.437  427.458  129.660 206.0368 159.8189 
1 1 1   23    7   13 o  770.379   71.603   2.9342   0.5018   2.8255   0.7511   3.0218   0.6743  716.106  118.110  759.185   98.869 -43.07941 154.0298 
1 1 1   23    7   14 o  408.838  109.655   0.9480   0.4210   0.9097   0.6021   0.9847   0.5889  386.411  136.182  400.503  134.936 -14.09232 191.7110 
1 1 1   23    7   15 o  317.273  106.281   0.5767   0.3654   0.3529   0.4827   0.8766   0.5590  281.023  115.729  369.897  131.122 -88.87375 174.8890 
1 1 1   23    7   16 o  150.827   74.260  -0.5998   0.3641  -0.6927   0.4842  -0.4788   0.5522  175.343   86.196  202.357   97.785 -27.01472 130.3519 
1 1 1   23    7   17 o  272.946  112.898   0.4501   0.4621   0.1607   0.5211   1.5164   1.0003  241.323  109.245  365.648  159.093 -124.3251 192.9902 
1 1 1   23    9    0 o  719.928   54.546   2.4608   0.3587   3.0719   0.5233   1.9194   0.4926  795.938   72.233  619.408   88.975 176.5300 114.6044 
1 1 1   23    9    1 o  841.847   49.429   3.3458   0.3812   3.2442   0.5627   3.4320   0.5183  815.089   75.896  843.637   67.325 -28.54871 101.4537 
1 1 1   23    9    2 o  548.871   59.121   1.4480   0.2939   1.7625   0.4657   1.2398   0.3788  591.914   88.197  495.776   86.170 96.13873 123.3046 
1 1 1   23    9    3 o  617.479   76.038   1.8794   0.4229   1.7531   0.4755   2.3577   0.9253  588.053   90.796  628.185  159.717 -40.13251 183.7210 
1 1 1   23    9    4 o  365.032   99.713   0.7000   0.3444   0.7761   0.3881   0.4181   0.7471  381.975  106.446  342.689  142.794 39.28616 178.1033 
1 1 1   23    9    5 o  250.919   86.518   0.2956   0.2423   0.2056   0.3729   0.3613   0.3188  254.817  102.917  277.726   98.962 -22.90872 142.7776 
1 1 1   23    9    6 o  515.867   62.743   1.2933   0.2917   1.6146   0.4274   1.0133   0.3991  565.781   84.710  437.986  101.071 127.7949 131.8753 
1 1 1   23    9    7 o  575.144   62.127   1.6021   0.3236   1.9714   0.4572   1.2317   0.4580  628.364   80.962  481.024  106.298 147.3400 133.6192 
1 1 1   23    9    8 o  455.397   85.162   1.0541   0.3437   0.9242   0.3725   1.8004   0.8928  419.757   98.180  538.906  164.760 -119.1486 191.7951 
1 1 1   23    9    9 o  657.807   57.691   2.0726   0.3457   1.9225   0.4586   2.2700   0.5260  621.014   82.285  672.591   87.026 -51.57745 119.7682 
1 1 1   23    9   10 o  661.855   61.970   2.1109   0.3730   1.3254   0.4671   3.4938   0.6198  502.116  104.494  840.331   81.163 -338.2150 132.3120 
1 1 1   23    9   11 o  680.676   82.022   2.3129   0.5034   2.2521   0.6812   2.3860   0.7471  645.256  119.124  657.020  128.181 -11.76416 174.9881 
1 1 1   23    9   12 o  489.914   88.359   1.2361   0.3837   2.2866   0.5563   0.2832   0.5299  666.057   93.329  292.168  120.871 373.8888 152.7095 
1 1 1   23    9   13 o  311.560  109.016   0.5085   0.3854   0.2281   0.5490   0.7810   0.5412  283.297  120.467  369.484  129.186 -86.18655 176.6388 
1 1 1   23    9   14 o  277.543  103.024   0.3864   0.3504   0.1752   0.4537   0.6990   0.5518  255.370  109.070  345.720  129.091 -90.34964 168.9993 
1 1 1   23    9   15 o  274.249  105.053   0.3941   0.3709   0.3399   0.4957   0.4631   0.5589  276.357  115.826  298.557  123.881 -22.19931 169.5935 
1 1 1   23    9   16 o  267.059  109.965   0.3804   0.4358  -0.0716   0.4947   1.9460   0.9207  220.000  102.090  443.836  166.545 -223.8358 195.3450 
1 1 1   23    9   17 o  337.451  139.816   1.0511   0.7105   2.0088   1.2417   0.5849   0.8663  365.731  166.763  289.645  134.643 76.08667 214.3327 
1 1 1   23   11    0 o  953.420   43.625   4.2555   0.3827   4.3949   0.5318   4.1057   0.5512  959.594   60.540  924.707   65.197 34.88666 88.97048 
1 1 1   23   11    1 o  483.475   63.428   1.1334   0.2754   0.9687   0.4153   1.2627   0.3679  428.618  105.910  502.483   82.420 -73.86554 134.2011 
1 1 1   23   11    2 f  572.681   52.688   1.5623   0.2745   1.8151   0.4281   1.3857   0.3578  605.698   78.666  529.642   75.557 76.05615 109.0745 
1 1 1   23   11    3 o  581.361   52.367   1.6105   0.2771   1.9643   0.4369   1.3724   0.3585  630.773   76.868  526.230   76.250 104.5433 108.2717 
1 1 1   23   11    4 o  225.491   82.108   0.2168   0.2209   0.2298   0.3521   0.2083   0.2836  255.426  101.056  236.728   91.553 18.69765 136.3612 
1 1 1   23   11    5 o  262.909   86.771   0.3369   0.2438   0.0935   0.3456   0.5780   0.3439  229.198   96.416  332.914  102.345 -103.7165 140.6076 
1 1 1   23   11    6 o  224.074   84.170   0.2007   0.2353  -0.2080   0.3324   0.6113   0.3331  183.088   84.507  341.654   99.747 -158.5668 130.7326 
1 1 1   23   11    7 o  929.545   47.380   4.0797   0.4039   3.8335   0.5336   4.4101   0.6182  890.669   65.564  951.656   71.108 -60.98676 96.72168 
1 1 1   23   11    8 o  467.119   68.535   1.0707   0.2858   1.1110   0.3734   1.0136   0.4442  466.043   90.325  434.975  110.710 31.06839 142.8825 
1 1 1   23   11    9 o  601.358   75.784   1.7829   0.4100   1.8538   0.4586   1.5000   0.9160  608.842   84.094  495.203  168.270 113.6395 188.1136 
1 1 1   23   11   10 o  683.003   56.866   2.2334   0.3541   2.1727   0.4463   2.3366   0.5818  664.657   74.248  675.439   96.346 -10.78223 121.6362 
1 1 1   23   11   11 o  565.627   97.774   1.6671   0.4905   1.5372   0.9156   1.7194   0.5808  490.326  168.226  561.595  116.230 -71.26865 204.4738 
1 1 1   23   11   12 o  813.813   57.699   3.1966   0.4293   3.6834   0.5604   2.5054   0.6678  863.610   71.156  679.726  110.564 183.8842 131.4824 
1 1 1   23   11   13 o  653.075   68.169   2.1257   0.4036   2.1227   0.5122   2.1305   0.6556  635.301   90.142  606.966  121.622 28.33484 151.3858 
1 1 1   23   11   14 o  459.312  102.570   1.2015   0.4225   1.3846   0.4981   0.7311   0.7981  483.165  113.890  347.365  146.349 135.8009 185.4429 
1 1 1   23   11   15 o  389.730  115.762   0.9767   0.4454   1.1304   0.5233   0.5726   0.8483  407.409  126.408  315.197  141.320 92.21231 189.6058 
1 1 1   23   11   16 o  269.750  109.570   0.4327   0.4253   0.6244   0.5149   0.0212   0.7546  300.253  121.049  253.407  120.220 46.84631 170.6038 
1 1 1   23   13    0 o  469.380   57.823   1.0595   0.2445   1.2739   0.3579   0.8720   0.3347  506.441   79.413  412.808   90.600 93.63336 120.4771 
1 1 1   23   13    1 o  425.960   59.851   0.8787   0.2281   0.8637   0.3719   0.8877   0.2888  406.527  100.081  421.592   77.307 -15.06503 126.4619 
1 1 1   23   13    2 o  613.156   46.022   1.7757   0.2578   1.4665   0.3982   1.9987   0.3382  541.520   82.518  646.202   57.476 -104.6819 100.5620 
1 1 1   23   13    3 o  768.990   44.246   2.7841   0.3118   3.2026   0.4759   2.4695   0.4126  815.128   63.963  715.559   63.322 99.56958 90.00525 
1 1 1   23   13    4 o  312.192   77.572   0.4942   0.2219   0.5594   0.3286   0.4396   0.3007  328.532   99.860  296.078   96.314 32.45395 138.7382 
1 1 1   23   13    5 o  737.951   48.018   2.5759   0.3243   2.2339   0.4397   2.9836   0.4801  675.632   71.836  784.521   67.157 -108.8887 98.33887 
1 1 1   23   13    6 o  741.400   46.128   2.5938   0.3131   2.3731   0.4003   2.9414   0.5026  701.667   62.664  776.832   71.096 -75.16449 94.77023 
1 1 1   23   13    7 o  1303.06   38.030   7.9252   0.4560   7.8930   0.5629   7.9866   0.7778  1295.42   47.220  1288.43   65.827 6.996216 81.01153 
1 1 1   23   13    8 o  114.332   56.615  -0.4957   0.2224  -0.7000   0.2636   0.0089   0.4144  116.862   58.466  234.776  102.271 -117.9142 117.8035 
1 1 1   23   13    9 o  813.113   78.070   3.2591   0.5769   3.7395   0.6944   2.1883   1.0367  863.339   88.670  584.479  177.301 278.8606 198.2369 
1 1 1   23   13   10 o  1233.96   49.759   7.2038   0.5650   7.0920   0.7274   7.3738   0.8971  1210.67   65.537  1219.65   80.383 -8.985352 103.7140 
1 1 1   23   13   11 o  534.695   76.030   1.4348   0.3635   1.0396   0.4401   2.2838   0.6450  434.714  109.948  648.581  112.136 -213.8675 157.0445 
1 1 1   23   13   12 o  214.535   95.788  -0.0446   0.3854  -0.2368   0.5347   0.1634   0.5561  229.060  106.239  274.401  119.006 -45.34077 159.5282 
1 1 1   23   13   13 o  246.587  100.269   0.2329   0.3567   0.1342   0.4226   0.4773   0.6651  242.575  104.469  316.204  133.426 -73.62828 169.4592 
1 1 1   23   13   14 o  356.161  107.021   0.7684   0.3790   0.9337   0.4730   0.4717   0.6337  380.301  120.496  301.313  128.807 78.98764 176.3824 
1 1 1   23   13   15 o  171.984   82.547  -0.3319   0.3781   0.1124   0.4695  -1.1518   0.6378  233.343  104.841  181.498   90.823 51.84528 138.7097 
1 1 1   23   13   16 o  333.540  137.468   1.0174   0.6818   1.5879   0.9820   0.4864   0.9473  358.952  156.871  282.547  134.236 76.40469 206.4647 
1 1 1   23   15    0 o  310.884   91.684   0.4912   0.2802   0.4794   0.2936   0.6125   0.9392  307.851   94.537  387.825  160.726 -79.97406 186.4672 
1 1 1   23   15    1 o  401.457   79.800   0.8105   0.2844   0.8293   0.2974   0.6111   0.9711  405.051   82.605  388.939  162.495 16.11209 182.2863 
1 1 1   23   15    2 o  939.335   52.889   4.1843   0.4553   4.2621   0.4897   3.6887   1.2363  946.066   56.511  773.506  177.463 172.5600 186.2430 
1 1 1   23   15    3 o  440.316   54.926   0.9317   0.2177   0.6688   0.2936   1.2529   0.3245  360.510   89.031  504.682   71.903 -144.1715 114.4402 
1 1 1   23   15    4 o  705.251   40.013   2.3321   0.2586   2.2629   0.3220   2.4577   0.4340  690.647   51.029  712.342   66.996 -21.69513 84.21661 
1 1 1   23   15    5 o  753.917   41.477   2.6671   0.2866   2.3830   0.3498   3.2480   0.5002  707.638   54.124  819.945   66.875 -112.3066 86.03339 
1 1 1   23   15    6 o  502.219   53.122   1.2044   0.2418   1.2398   0.3012   1.1402   0.4053  504.603   66.491  469.827   96.970 34.77579 117.5770 
1 1 1   23   15    7 o  322.039   84.126   0.5290   0.2520   0.4208   0.3107   0.7370   0.4309  292.642   98.014  372.522  114.554 -79.88052 150.7628 
1 1 1   23   15    8 o  779.075   52.667   2.8852   0.3753   2.7980   0.4731   3.0332   0.6165  758.852   68.497  777.640   87.684 -18.78857 111.2674 
1 1 1   23   15    9 o  998.398   46.382   4.6987   0.4261   5.3253   0.5394   3.6585   0.6950  1056.00   55.708  849.657   90.272 206.3444 106.0771 
1 1 1   23   15   10 o  226.191   97.121   0.0611   0.3632  -0.0217   0.3922   0.5595   0.9624  221.758   97.944  367.696  157.998 -145.9387 185.8940 
1 1 1   23   15   11 o  377.744   99.619   0.7807   0.3512   0.9690   0.4282   0.3936   0.6140  414.807  110.286  311.144  129.531 103.6630 170.1209 
1 1 1   23   15   12 o  329.028  108.991   0.6167   0.3845   0.2388   0.4439   1.7520   0.7694  261.970  109.687  503.453  152.743 -241.4822 188.0469 
1 1 1   23   15   13 o  280.979  105.135   0.4310   0.3664   0.6128   0.4554   0.0976   0.6168  318.499  117.602  262.226  118.770 56.27353 167.1424 
1 1 1   23   15   14 o  222.051   96.344   0.1382   0.3648  -0.2327   0.4394   0.9612   0.6546  195.354   92.402  351.084  138.136 -155.7301 166.1920 
1 1 1   23   15   15 o  316.658  119.058   0.7374   0.4710   0.9376   0.5472   0.1650   0.9251  342.214  128.396  267.672  128.645 74.54199 181.7554 
1 1 1   23   17    0 o  244.692  115.328  -0.5375   0.6735  -0.8982   0.8894  -0.0529   1.0311  264.826  126.975  340.964  154.074 -76.13754 199.6534 
1 1 1   23   17    1 o  627.796  147.068   2.2385   0.8347   3.0544   1.2123   1.5031   1.1509  696.886  185.703  496.890  186.255 199.9962 263.0144 
1 1 1   23   17    2 o  333.591  139.510   0.3407   0.7169   1.3944   0.9362  -1.1524   1.1145  484.462  169.884  288.538  139.306 195.9245 219.6971 
1 1 1   23   17    3 o  724.511   43.578   2.4663   0.2892   2.5079   0.2985   1.8295   1.1684  730.239   44.631  535.364  189.592 194.8751 194.7747 
1 1 1   23   17    4 o  820.023   36.939   3.1332   0.2787   3.1045   0.3391   3.1931   0.4892  812.393   45.553  814.406   65.848 -2.013306 80.06852 
1 1 1   23   17    5 o  262.216   74.203   0.3425   0.1871   0.4777   0.2303   0.0800   0.3208  307.253   80.494  221.705   93.065 85.54803 123.0465 
1 1 1   23   17    6 o  252.461   81.809   0.3085   0.2171   0.5622   0.2756  -0.1063   0.3523  330.997   88.692  202.508   90.916 128.4895 127.0115 
1 1 1   23   17    7 o  725.030   48.729   2.4896   0.3232   2.3294   0.3988   2.7960   0.5516  694.561   63.093  750.351   81.190 -55.78955 102.8230 
1 1 1   23   17    8 o  944.375   45.841   4.2036   0.3983   4.5048   0.5037   3.7008   0.6508  970.060   56.679  859.763   83.310 110.2975 100.7627 
1 1 1   23   17    9 o  684.391   57.444   2.2618   0.3584   2.0503   0.4401   2.6786   0.6177  640.155   76.206  716.824   96.062 -76.66888 122.6187 
1 1 1   23   17   10 o  665.648   92.606   2.3308   0.5519   2.3308   0.5519   0.0000   0.0000  665.648   92.606  ?   ?  0.000000 92.60609 
1 1 1   23   17   11 o  485.110   90.278   1.2672   0.3882   1.3963   0.4585   0.9406   0.7293  498.901  103.276  379.065  146.755 119.8359 179.4520 
1 1 1   23   17   12 f  180.210   83.973  -0.1848   0.3402  -0.0152   0.4304  -0.4672   0.5554  220.682   99.652  206.984   99.528 13.69806 140.8414 
1 1 1   23   17   13 o  298.024  117.912   0.5584   0.4794  -0.2886   0.6549   1.5367   0.7038  228.681  109.461  434.383  147.498 -205.7016 183.6773 
1 1 1   23   17   14 o  621.548   91.790   2.2789   0.5092   2.4476   0.6122   1.9006   0.9169  611.974  112.883  410.444  162.856 201.5309 198.1525 
1 1 1   23   19    0 o  517.293  191.678   1.6166   1.2120   0.0000   0.0000   1.6166   1.2120  ?   ?   517.293  191.678 0.000000 191.6784 
1 1 1   23   19    1 o  718.968  195.794   3.2834   1.3303   0.0000   0.0000   3.2834   1.3303  ?   ?   718.968  195.794 0.000000 195.7938 
1 1 1   23   19    2 o  361.855  162.282   0.0642   1.1194   0.0000   0.0000   0.0642   1.1194  ?   ?   361.855  162.282 0.000000 162.2816 
1 1 1   23   19    3 o  475.157  180.564   1.3098   1.0902   0.0000   0.0000   1.3098   1.0902  ?   ?   475.157  180.564 0.000000 180.5638 
1 1 1   23   19    4 o  856.519   50.045   3.4669   0.3927   3.4919   0.4104   3.1950   1.3536  858.629   52.186  691.854  200.807 166.7750 207.4767 
1 1 1   23   19    5 o  567.257   45.181   1.5201   0.2339   1.4193   0.2837   1.7337   0.4131  543.604   57.599  591.850   77.735 -48.24548 96.74917 
1 1 1   23   19    6 o  824.364   42.348   3.1963   0.3201   3.3759   0.3957   2.8561   0.5447  843.044   51.253  758.841   79.174 84.20294 94.31548 
1 1 1   23   19    7 f  314.837   85.133   0.5134   0.2526   0.5499   0.3075   0.4378   0.4428  323.571   96.203  305.717  115.335 17.85355 150.1907 
1 1 1   23   19    8 o  810.381   51.663   3.1438   0.3832   3.0959   0.4599   3.2528   0.6931  796.500   63.275  786.855   97.844 9.644836 116.5212 
1 1 1   23   19    9 o  1076.53   49.212   5.5396   0.4875   5.3505   0.5835   5.9766   0.8872  1046.23   60.869  1068.30   91.123 -22.06897 109.5834 
1 1 1   23   19   10 f  611.300   68.768   1.8907   0.3801   1.8619   0.4666   1.9475   0.6555  589.831   88.709  560.269  129.707 29.56244 157.1402 
1 1 1   23   19   11 o  295.089  114.928   0.4926   0.4493   0.3831   0.5248   0.7933   0.8697  282.975  118.917  342.714  148.727 -59.73886 190.4229 
1 1 1   23   19   12 o  581.876   74.220   1.8125   0.3883   2.1950   0.5275   1.3599   0.5739  613.085   96.705  432.004  132.098 181.0808 163.7118 
1 1 1   23   19   13 o  259.422  115.604   0.3304   0.5585  -0.2110   0.7293   1.0983   0.8685  233.337  112.663  332.159  146.280 -98.82159 184.6370 
1 1 1   23   21    0 o  1017.88  129.504   5.4920   1.1855   7.0388   1.6868   3.9822   1.6665  1102.56  171.862  760.438  223.414 342.1227 281.8690 
1 1 1   23   21    1 f  567.532  167.029   1.9228   0.9308   3.2789   1.3611   0.7317   1.2756  710.346  199.836  428.380  182.926 281.9660 270.9174 
1 1 1   23   21    2 o  680.305  157.959   2.6964   0.9698   5.1750   1.4520   0.6998   1.3032  928.248  176.441  423.936  183.014 504.3118 254.2161 
1 1 1   23   21    3 o  468.726  166.905   1.3096   0.9067   2.3767   1.2780   0.2283   1.2865  589.547  198.768  384.060  172.959 205.4870 263.4837 
1 1 1   23   21    4 o  760.924   42.285   2.7235   0.2949   2.7844   0.3008   1.2195   1.4948  769.260   42.665  461.125  197.492 308.1346 202.0475 
1 1 1   23   21    5 o  240.675   86.006   0.2627   0.2410   0.2627   0.2410   0.0000   0.0000  240.675   86.006  ?   ?  0.000000 86.00609 
1 1 1   23   21    6 o  578.761   66.457   1.6484   0.3475   1.6484   0.3475   0.0000   0.0000  578.761   66.457  ?   ?  0.000000 66.45746 
1 1 1   23   21    7 o  209.193   88.766   0.0741   0.2970   0.1551   0.3212  -0.4033   0.7798  229.620   94.463  262.000  123.673 -32.37975 155.6223 
1 1 1   23   21    8 o  279.262   97.262   0.4079   0.3066   0.2384   0.3476   1.0027   0.6512  247.443   99.560  394.070  141.327 -146.6268 172.8738 
1 1 1   23   21    9 o  586.538   59.432   1.7115   0.3163   1.6996   0.4261   1.7260   0.4722  563.918   84.730  558.519   95.303 5.399231 127.5217 
1 1 1   23   21   10 o  244.353   94.412   0.2960   0.3014   0.4844   0.4156   0.0871   0.4376  289.241  111.112  231.029  102.680 58.21266 151.2911 
1 1 1   23   21   11 o  156.214   76.487  -0.5101   0.3697  -0.4841   0.4471  -0.5662   0.6572  176.732   86.005  210.228  102.732 -33.49669 133.9804 
1 1 1   23   21   12 o  428.833  125.144   1.3735   0.5244   1.7550   0.7484   1.0055   0.7351  425.921  151.644  328.446  139.523 97.47491 206.0646 
1 1 1   23   23    0 f  724.403  162.366   3.1007   1.0555   2.7898   1.3447   3.5996   1.7036  638.254  203.279  689.687  229.471 -51.43292 306.5608 
1 1 1   23   23    1 o  301.611  138.219  -0.2065   0.8672   0.4532   1.1282  -1.1593   1.3558  384.522  168.091  317.229  153.277 67.29227 227.4826 
1 1 1   23   23    2 o  349.328  157.038   0.1438   1.0551   0.1438   1.0551   0.0000   0.0000  349.328  157.038  ?   ?  0.000000 157.0381 
1 1 1   23   23    3 o  842.178  203.216   5.0012   1.5567   5.0012   1.5567   0.0000   0.0000  842.178  203.216  ?   ?  0.000000 203.2163 
1 1 1   23   23    4 o  581.237   45.236   1.6060   0.2400   1.5983   0.2754   1.6303   0.4893  576.672   52.484  553.861   99.679 22.81024 112.6521 
1 1 1   23   23    5 o  308.215   79.439   0.4959   0.2267   0.7804   0.2776  -0.0732   0.3927  387.545   80.490  212.918   95.755 174.6266 125.0905 
1 1 1   23   23    6 o  731.577   50.928   2.5831   0.3407   3.2152   0.4240   1.4321   0.5722  811.757   57.135  485.680  126.707 326.0769 138.9930 
1 1 1   23   23    7 o  380.085   88.766   0.7920   0.3048   0.6605   0.3707   1.0666   0.5356  336.743  106.683  408.175  128.082 -71.43262 166.6921 
1 1 1   23   23    8 o  446.716   85.980   1.0957   0.3406   1.2815   0.4177   0.7271   0.5884  471.416   99.419  333.870  131.093 137.5461 164.5284 
1 1 1   23   23    9 o  377.765  102.349   0.8763   0.3646   0.6912   0.4435   1.2622   0.6404  323.206  116.554  401.148  140.512 -77.94296 182.5613 
1 1 1   23   23   10 o  277.811  105.788   0.4861   0.3747   0.5508   0.4581   0.3553   0.6511  288.204  114.873  269.907  122.159 18.29703 167.6864 
1 1 1   23   25    0 o  367.797   69.108   0.6771   0.2253   0.7562   0.2746   0.5144   0.3940  384.358   80.239  316.646  110.257 67.71170 136.3625 
1 1 1   23   25    1 o  223.848   79.525   0.2281   0.2057   0.2083   0.2075   1.3894   1.5866  218.393   79.570  451.029  198.191 -232.6361 213.5678 
1 1 1   23   25    2 o  444.482   61.016   0.9731   0.2430   0.9856   0.2468   0.5758   1.3899  447.094   61.620  384.650  175.794 62.44376 186.2809 
1 1 1   23   25    3 o  621.554   41.662   1.8349   0.2369   1.8934   0.2828   1.6972   0.4336  627.519   49.381  570.709   85.185 56.81000 98.46310 
1 1 1   23   25    4 f  186.189   77.186   0.0828   0.2167   0.1792   0.2609  -0.1317   0.3891  218.635   86.831  202.303   92.665 16.33139 126.9902 
1 1 1   23   25    5 o  557.459   59.646   1.5472   0.3012   1.3392   0.3676   1.9724   0.5255  501.697   82.494  593.422   99.775 -91.72559 129.4616 
1 1 1   23   25    6 o  816.468   51.848   3.2714   0.3875   3.1928   0.4716   3.4347   0.6799  792.392   65.262  780.222   96.773 12.16931 116.7223 
1 1 1   23   25    7 f  627.487   68.020   2.0524   0.3865   2.1468   0.4693   1.8534   0.6812  623.892   83.869  498.565  141.765 125.3267 164.7154 
1 1 1   23   25    8 o  218.993   94.758   0.1544   0.3510   0.1231   0.4287   0.2180   0.6111  226.444  101.071  256.478  116.963 -30.03400 154.5818 
1 1 1   23   25    9 o  332.489  143.429   1.1064   0.7992   2.0645   0.9737  -0.8712   1.3989  406.473  165.521  253.775  127.986 152.6984 209.2311 
1 1 1   23   27    0 o  315.843   93.458   0.5439   0.2907   0.6511   0.3539   0.3216   0.5097  340.390  103.667  284.579  118.208 55.81119 157.2258 
1 1 1   23   27    1 o  475.111   65.434   1.1367   0.2785   1.2617   0.3429   0.8946   0.4772  492.266   78.331  383.162  120.994 109.1039 144.1367 
1 1 1   23   27    2 o  144.969   68.869  -0.2477   0.2493  -0.2113   0.3000  -0.3290   0.4478  166.434   77.979  195.760   92.797 -29.32559 121.2105 
1 1 1   23   27    3 o  592.354   68.343   1.8009   0.3657   1.7442   0.5120   1.8599   0.5225  546.423  105.644  566.434  104.081 -20.01093 148.3021 
1 1 1   23   27    4 o  222.812   87.799   0.2218   0.2648   0.1493   0.3130   0.4047   0.4968  216.960   91.539  279.242  116.406 -62.28226 148.0869 
1 1 1   23   27    5 o  327.013   95.484   0.6434   0.3052   0.8478   0.3807   0.2758   0.5107  365.497  106.618  258.225  112.980 107.2716 155.3441 
1 1 1   23   27    6 o  291.663  101.857   0.5389   0.3364   0.5964   0.4014   0.4032   0.6165  299.513  110.444  273.612  121.725 25.90140 164.3622 
1 1 1   23   29    0 o  263.595   98.152   0.3749   0.3186   0.2040   0.3708   0.8570   0.6227  236.933   99.781  348.974  135.469 -112.0413 168.2504 
1 1 1   23   29    1 o  258.235   97.396   0.3615   0.3157   0.2169   0.3676   0.7683   0.6163  236.372   99.437  330.846  132.767 -94.47421 165.8756 
1 1 1   23   29    2 o  485.776  126.241   1.6234   0.5695   2.1373   1.6143   1.5504   0.6086  377.405  178.084  458.725  135.077 -81.31970 223.5169 
1 1 1   23   29    3 o  511.173   97.556   1.5668   0.4421   0.8088   0.5699   2.7128   0.7007  326.917  128.807  631.296  125.049 -304.3788 179.5233 
1 1 1   24    0    0 o  355.261  141.581   0.8520   0.4477   0.8520   0.4477   0.8520   0.4477  355.261  141.581  355.261  141.581 0.000000 0.000000 
1 1 1   24    0    1 o  1287.98   67.436   7.8536   0.7942   7.8536   0.7942   7.8536   0.7942  1287.98   67.436  1287.98   67.436 0.000000 0.000000 
1 1 1   24    0    2 o  558.196  110.537   1.6564   0.5046   1.6564   0.5046   1.6564   0.5046  558.196  110.537  558.196  110.537 0.000000 0.000000 
1 1 1   24    0    3 o  470.549  134.770   1.3056   0.5059   1.3056   0.5059   1.3056   0.5059  470.549  134.770  470.549  134.770 0.000000 0.000000 
1 1 1   24    0    4 o  742.543   86.457   2.7221   0.5698   2.7221   0.5698   2.7221   0.5698  742.543   86.457  742.543   86.457 0.000000 0.000000 
1 1 1   24    0    5 o  1255.79   90.504   7.6413   1.0333   7.6413   1.0333   7.6413   1.0333  1255.79   90.504  1255.79   90.504 0.000000 0.000000 
1 1 1   24    0    6 f  473.219  120.436   1.2623   0.4534   1.2623   0.4534   1.2623   0.4534  473.219  120.436  473.219  120.436 0.000000 0.000000 
1 1 1   24    0    7 o  923.807   73.412   4.0938   0.6150   4.0938   0.6150   4.0938   0.6150  923.807   73.412  923.807   73.412 0.000000 0.000000 
1 1 1   24    0    8 o  127.743   88.329  -0.2591   0.3530  -0.2591   0.3530  -0.2591   0.3530  127.743   88.329  127.743   88.329 0.000000 0.000000 
1 1 1   24    0    9 o  263.456  133.671   0.5037   0.4047   0.5037   0.4047   0.5037   0.4047  263.456  133.671  263.456  133.671 0.000000 0.000000 
1 1 1   24    0   10 o  308.411  139.073   0.6698   0.4234   0.6698   0.4234   0.6698   0.4234  308.411  139.073  308.411  139.073 0.000000 0.000000 
1 1 1   24    0   11 o  885.054   77.083   3.7604   0.6168   3.7604   0.6168   3.7604   0.6168  885.054   77.083  885.054   77.083 0.000000 0.000000 
1 1 1   24    0   12 o  695.797   92.228   2.4075   0.5615   2.4075   0.5615   2.4075   0.5615  695.797   92.228  695.797   92.228 0.000000 0.000000 
1 1 1   24    0   13 o  491.791  134.353   1.3972   0.5256   1.3972   0.5256   1.3972   0.5256  491.791  134.353  491.791  134.353 0.000000 0.000000 
1 1 1   24    0   14 o  700.296  101.820   2.4955   0.6157   2.4955   0.6157   2.4955   0.6157  700.296  101.820  700.296  101.820 0.000000 0.000000 
1 1 1   24    0   15 o  231.086  136.762   0.3500   0.5019   0.3500   0.5019   0.3500   0.5019  231.086  136.762  231.086  136.762 0.000000 0.000000 
1 1 1   24    0   16 o  190.407  124.562   0.0366   0.5396   0.0366   0.5396   0.0366   0.5396  190.407  124.562  190.407  124.562 0.000000 0.000000 
1 1 1   24    0   17 o  183.333  126.603  -0.3288   0.7192  -0.3288   0.7192  -0.3288   0.7192  183.333  126.603  183.333  126.603 0.000000 0.000000 
1 1 1   24    2    0 o  1000.76   61.826   4.7681   0.5665   4.6808   0.6633   5.0034   1.0893  984.594   73.751  978.549  123.739 6.045227 144.0503 
1 1 1   24    2    1 o  712.734   88.334   2.5252   0.5669   2.5252   0.5669   0.0000   0.0000  712.734   88.334  ?   ?  0.000000 88.33387 
1 1 1   24    2    2 o  1008.06   73.040   4.9270   0.6729   4.9270   0.6729   0.0000   0.0000  1008.06   73.040  ?   ?  0.000000 73.04009 
1 1 1   24    2    3 o  452.130   92.782   1.0485   0.3731   0.9485   0.4702   1.2183   0.6130  419.517  117.249  466.433  135.064 -46.91629 178.8563 
1 1 1   24    2    4 o  752.920   54.364   2.6985   0.3741   2.5633   0.5387   2.8245   0.5199  718.066   83.069  758.927   75.449 -40.86096 112.2188 
1 1 1   24    2    5 o  1191.01   46.459   6.6733   0.5092   6.4278   0.7231   6.9146   0.7170  1152.37   68.504  1198.02   65.289 -45.65222 94.63338 
1 1 1   24    2    6 o  698.164   66.650   2.3675   0.4230   1.5076   0.6776   2.9164   0.5414  511.130  139.965  768.554   77.620 -257.4238 160.0471 
1 1 1   24    2    7 o  976.399   56.416   4.5521   0.5047   4.0782   0.8431   4.8167   0.6301  885.179  105.597  995.450   69.217 -110.2709 126.2603 
1 1 1   24    2    8 f  682.865   59.106   2.2408   0.3677   2.3427   0.5179   2.1372   0.5222  684.057   84.049  649.405   89.792 34.65259 122.9910 
1 1 1   24    2    9 o  356.821   91.730   0.6599   0.3028   1.1775   0.4527   0.2406   0.4075  470.986  106.895  268.242  107.843 202.7435 151.8444 
1 1 1   24    2   10 o  1669.65   43.945   13.075   0.6752   12.702   0.9405   13.471   0.9698  1629.70   62.717  1678.20   62.801 -48.49768 88.75489 
1 1 1   24    2   11 o  172.663   78.468  -0.1290   0.2720  -0.3679   0.3699   0.1524   0.4015  178.882   84.665  252.469  104.892 -73.58710 134.7974 
1 1 1   24    2   12 o  727.840   61.729   2.5583   0.4095   2.0156   0.5377   3.3081   0.6320  624.580   96.680  811.201   85.976 -186.6208 129.3794 
1 1 1   24    2   13 o  336.744   99.763   0.6063   0.3311   0.2998   0.4293   1.0561   0.5201  277.754  111.039  429.198  124.451 -151.4446 166.7865 
1 1 1   24    2   14 o  263.296  102.175   0.3042   0.3541   0.3771   0.5453   0.2510   0.4657  299.470  123.127  270.879  112.794 28.59076 166.9815 
1 1 1   24    2   15 o  391.963  107.003   0.8989   0.3967   1.3914   0.5866   0.4835   0.5387  465.074  131.312  305.014  123.512 160.0598 180.2721 
1 1 1   24    2   16 f  361.544  130.435   0.9230   0.5555   0.6974   0.7572   1.1860   0.8176  323.659  139.614  376.363  152.249 -52.70316 206.5719 
1 1 1   24    2   17 o  188.104   90.329  -0.3192   0.4540  -0.1226   0.5842  -0.6190   0.7213  224.340  106.243  213.903  105.162 10.43729 149.4876 
1 1 1   24    4    0 o  805.481   57.077   3.0804   0.4203   3.7797   0.6222   2.4934   0.5700  881.616   77.483  708.399   89.440 173.2167 118.3351 
1 1 1   24    4    1 o  575.498   67.162   1.6032   0.3490   1.3576   0.4880   1.8602   0.4992  510.156  107.364  608.144   92.085 -97.98840 141.4448 
1 1 1   24    4    2 o  238.811   91.804   0.2122   0.2838   0.5661   0.4351  -0.0500   0.3745  336.478  115.934  216.998   95.785 119.4792 150.3847 
1 1 1   24    4    3 o  689.156   57.520   2.2696   0.3614   2.2901   0.5294   2.2517   0.4947  676.679   87.034  674.239   81.375 2.440063 119.1503 
1 1 1   24    4    4 o  303.338  104.187   0.4519   0.3513   0.4223   0.4007   0.5501   0.7298  301.910  110.495  358.208  144.213 -56.29803 181.6773 
1 1 1   24    4    5 o  647.453   77.668   2.0736   0.4535   2.4010   0.5244   1.1035   0.9028  693.358   83.909  438.029  164.810 255.3290 184.9407 
1 1 1   24    4    6 o  282.816   94.428   0.3941   0.2884   0.5345   0.4470   0.2940   0.3775  327.826  117.142  272.122  105.517 55.70383 157.6584 
1 1 1   24    4    7 o  739.196   54.149   2.6064   0.3657   3.3603   0.5463   1.9942   0.4924  828.738   72.369  628.239   87.550 200.4991 113.5879 
1 1 1   24    4    8 o  679.755   66.946   2.2455   0.4133   1.8465   0.6617   2.5007   0.5292  577.071  127.974  708.093   82.786 -131.0218 152.4169 
1 1 1   24    4    9 o  786.867   54.405   2.9477   0.3915   3.2870   0.5631   2.6303   0.5447  818.717   75.603  727.241   82.874 91.47681 112.1777 
1 1 1   24    4   10 o  1257.86   47.063   7.4414   0.5447   7.4203   0.7570   7.4642   0.7844  1241.13   66.531  1242.82   68.859 -1.697510 95.74945 
1 1 1   24    4   11 o  635.705   80.078   2.0082   0.4580   2.2180   0.5405   1.4741   0.8625  661.555   91.225  491.741  163.259 169.8138 187.0176 
1 1 1   24    4   12 o  464.409   93.649   1.1224   0.3864   1.0174   0.4507   1.4137   0.7504  431.681  112.374  482.877  151.626 -51.19617 188.7284 
1 1 1   24    4   13 o  220.272   97.455  -0.0235   0.3899  -0.3177   0.4570   0.7632   0.7473  205.687   96.328  374.368  147.503 -168.6815 176.1706 
1 1 1   24    4   14 o  170.007   80.317  -0.2897   0.3302  -0.4366   0.4669  -0.1427   0.4670  195.396   93.224  221.598  101.507 -26.20213 137.8199 
1 1 1   24    4   15 o  582.432   99.584   1.9013   0.5145   2.7123   0.8646   1.4566   0.6402  625.918  151.702  463.716  139.035 162.2017 205.7766 
1 1 1   24    4   16 o  443.500  108.968   1.2201   0.4415   2.4069   0.6797   0.3540   0.5807  604.691  126.238  276.791  120.805 327.8999 174.7281 
1 1 1   24    4   17 o  360.551  113.249   0.8995   0.4186   0.3176   0.5589   1.6431   0.6317  259.270  115.582  451.830  138.672 -192.5599 180.5245 
1 1 1   24    6    0 o  548.138   72.651   1.4664   0.3574   1.7218   0.5145   1.2282   0.4969  581.114   99.811  482.101  113.828 99.01260 151.3905 
1 1 1   24    6    1 o  698.022   65.197   2.3455   0.4139   2.5101   0.5782   2.1725   0.5928  708.234   90.813  651.412  102.266 56.82214 136.7674 
1 1 1   24    6    2 o  835.304   57.640   3.3251   0.4403   2.9343   0.5682   3.9127   0.6967  771.425   81.268  888.117   86.345 -116.6923 118.5741 
1 1 1   24    6    3 o  416.149   83.278   0.8761   0.3078   0.5333   0.4610   1.1518   0.4134  330.635  118.872  471.246   98.507 -140.6108 154.3833 
1 1 1   24    6    4 f  200.581   83.667   0.0692   0.2569  -0.1575   0.4230   0.2016   0.3233  216.254   98.111  244.336   96.783 -28.08186 137.8140 
1 1 1   24    6    5 o  725.820   55.954   2.5168   0.3708   2.7007   0.5564   2.3698   0.4974  735.894   83.657  691.387   79.636 44.50677 115.5007 
1 1 1   24    6    6 o  524.362   89.556   1.4019   0.4166   1.5994   0.4842   0.8386   0.8176  555.606   98.297  399.464  155.182 156.1421 183.6954 
1 1 1   24    6    7 o  699.824   69.164   2.3880   0.4396   2.7374   0.5132   1.4255   0.8517  745.541   75.862  483.237  162.273 262.3040 179.1296 
1 1 1   24    6    8 o  204.416   89.295  -0.0153   0.3179   0.0655   0.3555  -0.3370   0.7095  227.536   96.853  264.263  122.502 -36.72771 156.1640 
1 1 1   24    6    9 o  747.625   67.378   2.7071   0.4585   3.4106   0.8216   2.3889   0.5526  805.224  114.074  689.267   89.225 115.9569 144.8239 
1 1 1   24    6   10 o  442.799   79.723   0.9836   0.3129   0.9461   0.4095   1.0362   0.4849  422.592  105.610  436.795  117.909 -14.20306 158.2911 
1 1 1   24    6   11 o  411.086   89.545   0.8713   0.3291   1.1865   0.4382   0.4635   0.4985  473.991  103.389  319.462  121.932 154.5284 159.8644 
1 1 1   24    6   12 o  765.736   61.497   2.8365   0.4297   2.5629   0.5686   3.2007   0.6559  709.146   89.108  791.035   91.823 -81.88898 127.9522 
1 1 1   24    6   13 o  580.434   79.632   1.7115   0.4141   2.0252   0.5833   1.3928   0.5879  609.893  107.894  486.225  129.206 123.6681 168.3303 
1 1 1   24    6   14 f  246.840  103.301   0.1881   0.3934   0.8677   0.7237  -0.0970   0.4687  372.206  145.606  225.450  102.666 146.7554 178.1612 
1 1 1   24    6   15 o  242.166   99.850   0.2284   0.3599   0.6270   0.5059  -0.1798   0.5121  321.576  122.815  220.695  102.898 100.8808 160.2236 
1 1 1   24    6   16 o  207.708   93.169   0.0289   0.3692  -0.2950   0.4794   0.5006   0.5786  198.302   94.572  290.594  123.622 -92.29236 155.6480 
1 1 1   24    6   17 o  324.617  136.598   0.9340   0.6939   0.6630   1.2137   1.0657   0.8458  296.419  143.656  327.832  144.366 -31.41302 203.6627 
1 1 1   24    8    0 o  794.435   53.692   2.9900   0.3902   2.5278   0.5279   3.5466   0.5793  716.739   81.494  854.596   74.410 -137.8572 110.3544 
1 1 1   24    8    1 f  976.787   47.932   4.4826   0.4308   4.5202   0.6299   4.4497   0.5905  966.531   71.333  961.598   67.160 4.932678 97.97374 
1 1 1   24    8    2 o  518.253   65.263   1.3036   0.3043   1.1569   0.4439   1.4336   0.4180  469.405  105.367  533.117   88.297 -63.71207 137.4717 
1 1 1   24    8    3 o  249.913  101.287   0.1842   0.3626   0.2570   0.4082  -0.0879   0.7895  271.961  108.419  300.045  135.274 -28.08408 173.3599 
1 1 1   24    8    4 o  299.484  106.276   0.4292   0.3673   0.6518   0.4051  -0.5995   0.8708  352.222  111.509  275.970  130.396 76.25287 171.5735 
1 1 1   24    8    5 o  316.622   87.920   0.5149   0.2653   0.7547   0.4269   0.3640   0.3385  375.281  113.761  281.185  101.766 94.09625 152.6363 
1 1 1   24    8    6 o  375.670   92.939   0.7341   0.3195   0.4773   0.4314   1.0461   0.4755  315.331  114.762  438.345  116.061 -123.0147 163.2188 
1 1 1   24    8    7 o  276.614  107.220   0.3047   0.3896   0.3047   0.3896   0.0000   0.0000  276.614  107.220  ?   ?  0.000000 107.2196 
1 1 1   24    8    8 o  481.223   75.868   1.1496   0.3248   0.9825   0.4313   1.3685   0.4937  429.134  109.020  508.265  108.834 -79.13107 154.0466 
1 1 1   24    8    9 o  864.479   52.500   3.5442   0.4156   3.6958   0.5707   3.3730   0.6065  871.733   71.791  826.720   80.757 45.01294 108.0538 
1 1 1   24    8   10 o  303.504  104.599   0.4526   0.3542   0.7274   0.6706   0.3462   0.4171  377.674  142.051  288.949  111.234 88.72485 180.4207 
1 1 1   24    8   11 o  320.487  100.118   0.5333   0.3276   0.2855   0.4386   0.8460   0.4928  279.932  112.122  391.787  122.847 -111.8552 166.3214 
1 1 1   24    8   12 o  549.668   87.832   1.5539   0.4293   1.6513   0.6857   1.4911   0.5505  526.769  139.329  516.947  118.291 9.822083 182.7713 
1 1 1   24    8   13 o  1447.06   54.293   10.072   0.7229   11.565   1.1055   8.9562   0.9555  1511.57   79.767  1332.02   78.304 179.5577 111.7778 
1 1 1   24    8   14 o  353.046  108.183   0.7262   0.3847   1.2596   0.5210   0.0869   0.5703  453.610  122.109  260.797  116.476 192.8124 168.7520 
1 1 1   24    8   15 o  467.977   97.428   1.2607   0.4059   0.8139   0.5131   2.0079   0.6636  349.407  125.435  547.118  133.084 -197.7112 182.8809 
1 1 1   24    8   16 o  213.413   97.298   0.0120   0.4225   0.1660   0.5146  -0.3069   0.7404  243.065  109.432  234.077  113.140 8.988281 157.4039 
1 1 1   24   10    0 o  498.267   69.984   1.2123   0.3120   1.5729   0.4373   0.8384   0.4453  560.341   87.694  397.569  115.114 162.7718 144.7117 
1 1 1   24   10    1 o  753.982   52.243   2.6939   0.3602   3.6237   0.5665   2.0626   0.4668  864.341   71.876  646.420   80.193 217.9212 107.6892 
1 1 1   24   10    2 o  420.453   70.824   0.8726   0.2643   0.7739   0.4060   0.9451   0.3481  382.242  109.689  429.521   90.918 -47.27924 142.4701 
1 1 1   24   10    3 o  287.148   87.172   0.4148   0.2505   0.2305   0.4019   0.5319   0.3204  266.062  107.057  321.887   98.753 -55.82574 145.6476 
1 1 1   24   10    4 f  1121.76   43.921   5.9041   0.4534   6.3020   0.6754   5.5779   0.6116  1144.67   64.389  1078.51   61.885 66.16418 89.30659 
1 1 1   24   10    5 o  320.181   83.043   0.5237   0.2467   0.6392   0.3896   0.4464   0.3188  348.862  109.211  299.104   99.254 49.75812 147.5753 
1 1 1   24   10    6 o  546.314   64.114   1.4481   0.3162   1.3590   0.4442   1.5396   0.4502  512.370   97.776  549.236   92.352 -36.86566 134.4954 
1 1 1   24   10    7 o  492.237   72.117   1.1936   0.3170   1.1889   0.4309   1.1991   0.4679  477.056  101.286  474.824  109.349 2.231659 149.0508 
1 1 1   24   10    8 o  500.945   85.815   1.2649   0.3813   1.2125   0.4119   1.5791   1.0085  485.356   95.633  504.953  176.365 -19.59756 200.6248 
1 1 1   24   10    9 o  1112.32   47.252   5.8201   0.4836   5.7597   0.6538   5.8930   0.7187  1094.02   65.247  1102.03   71.253 -8.012207 96.61372 
1 1 1   24   10   10 o  363.033  100.008   0.6945   0.3447   0.8025   0.4376   0.5179   0.5597  385.264  114.816  334.750  128.856 50.51447 172.5882 
1 1 1   24   10   11 o  388.904  131.998   0.8501   0.5636   0.5957   1.0774   0.9459   0.6613  382.961  165.865  405.278  142.735 -22.31702 218.8246 
1 1 1   24   10   12 o  180.273   83.129  -0.1799   0.3205  -0.0404   0.3994  -0.4322   0.5371  219.739   97.850  214.949  101.815 4.790771 141.2124 
1 1 1   24   10   13 o  1335.51   49.320   8.5489   0.6061   8.2156   0.7729   9.0811   0.9767  1288.48   65.406  1331.86   80.067 -43.37549 103.3863 
1 1 1   24   10   14 o  524.574   95.666   1.5359   0.4448   1.0981   0.5165   2.7917   0.8747  412.948  125.120  630.327  152.476 -217.3794 197.2411 
1 1 1   24   10   15 o  331.391  115.014   0.7210   0.4286   1.5115   0.5332  -0.7226   0.7205  478.302  121.043  214.974  105.569 263.3276 160.6118 
1 1 1   24   10   16 o  324.347  120.756   0.7810   0.4822   0.7851   0.5523   0.7679   0.9885  318.296  126.363  304.675  142.358 13.62091 190.3513 
1 1 1   24   12    0 o  309.983   88.136   0.4871   0.2633   0.6494   0.3783   0.3347   0.3667  353.781  107.057  280.957  105.169 72.82446 150.0718 
1 1 1   24   12    1 o  753.999   48.226   2.6831   0.3328   3.3830   0.5050   2.1456   0.4426  838.164   66.014  662.625   73.840 175.5384 99.04655 
1 1 1   24   12    2 o  652.290   49.961   2.0160   0.2976   1.5700   0.4337   2.4129   0.4091  558.670   87.207  707.920   63.483 -149.2499 107.8667 
1 1 1   24   12    3 o  637.179   50.912   1.9274   0.2960   2.3038   0.4777   1.6927   0.3772  684.007   77.246  588.292   71.116 95.71503 104.9973 
1 1 1   24   12    4 o  1074.03   43.197   5.4072   0.4269   6.2239   0.6542   4.8014   0.5634  1139.22   62.645  1000.99   61.467 138.2370 87.76456 
1 1 1   24   12    5 o  717.572   52.484   2.4463   0.3441   2.5878   0.4912   2.3099   0.4823  726.845   74.490  684.386   77.985 42.45898 107.8438 
1 1 1   24   12    6 f  347.149   83.135   0.6136   0.2621   0.3202   0.3608   0.9412   0.3812  275.900  104.109  424.687   99.325 -148.7874 143.8898 
1 1 1   24   12    7 o  201.742   83.616   0.0772   0.2542   0.3343   0.3661  -0.1623   0.3533  279.926  105.025  196.010   89.212 83.91512 137.8011 
1 1 1   24   12    8 o  331.959   89.299   0.5659   0.2787   0.5643   0.3541   0.5685   0.4520  331.077  104.183  336.876  118.046 -5.799194 157.4447 
1 1 1   24   12    9 o  543.000  104.563   1.5480   0.5035   1.8228   0.5983   0.8807   0.9322  582.747  115.653  411.159  163.865 171.5880 200.5677 
1 1 1   24   12   10 o  298.274  101.358   0.4467   0.3323   0.1787   0.4251   0.8680   0.5330  259.545  107.892  394.065  128.225 -134.5200 167.5774 
1 1 1   24   12   11 o  463.170   83.712   1.1038   0.3436   1.1119   0.4383   1.0911   0.5535  450.501  107.281  432.146  129.211 18.35474 167.9429 
1 1 1   24   12   12 o  159.177   77.473  -0.5393   0.3632  -0.3499   0.5251  -0.7130   0.5028  216.370  101.935  185.609   90.517 30.76070 136.3235 
1 1 1   24   12   13 o  749.222   69.330   2.8441   0.4725   2.7386   0.5518   3.1344   0.9151  719.059   85.046  683.940  149.576 35.11877 172.0635 
1 1 1   24   12   14 o  527.846   99.337   1.6143   0.4648   1.7192   0.5377   1.3043   0.9243  527.676  114.065  384.615  159.426 143.0605 196.0287 
1 1 1   24   12   15 o  235.780  103.186   0.1972   0.4262   0.3205   0.5036  -0.1141   0.8002  259.029  112.792  250.209  120.090 8.819946 164.7536 
1 1 1   24   14    0 o  1068.53   39.796   5.3289   0.3913   6.0378   0.5711   4.7019   0.5371  1130.12   54.922  993.667   59.011 136.4540 80.61482 
1 1 1   24   14    1 o  1044.22   38.068   5.0849   0.3658   5.8268   0.5638   4.5455   0.4807  1109.63   55.215  979.550   53.532 130.0753 76.90460 
1 1 1   24   14    2 o  746.990   43.144   2.6211   0.2953   2.9137   0.4718   2.4326   0.3786  777.000   66.627  713.550   58.175 63.44904 88.45052 
1 1 1   24   14    3 o  486.389   58.028   1.1379   0.2546   1.2340   0.4102   1.0776   0.3247  490.831   94.250  465.010   78.687 25.82123 122.7791 
1 1 1   24   14    4 o  708.909   49.059   2.3760   0.3181   2.2729   0.4591   2.4712   0.4410  681.575   74.419  714.446   67.896 -32.87036 100.7376 
1 1 1   24   14    5 o  600.008   51.271   1.7090   0.2804   1.5051   0.3704   1.9822   0.4289  553.366   74.656  636.136   74.698 -82.76971 105.6089 
1 1 1   24   14    6 o  1021.33   40.789   4.8748   0.3833   4.7458   0.4852   5.0891   0.6254  1001.19   52.850  1028.57   66.431 -27.37769 84.88940 
1 1 1   24   14    7 o  518.212   64.488   1.3028   0.3009   1.2421   0.3805   1.4040   0.4914  496.043   86.506  517.027  106.830 -20.98380 137.4622 
1 1 1   24   14    8 o  1231.80   45.126   7.1297   0.5115   7.2616   0.6634   6.9363   0.8032  1234.49   58.401  1192.69   73.542 41.79395 93.91013 
1 1 1   24   14    9 o  710.745   56.845   2.4245   0.3687   2.0323   0.4446   3.2872   0.6595  639.352   77.133  804.265   90.694 -164.9122 119.0583 
1 1 1   24   14   10 f  296.320  109.169   0.4256   0.3921   0.5533   0.4317  -0.1760   0.9370  325.457  115.246  304.960  141.158 20.49677 182.2285 
1 1 1   24   14   11 o  191.817   86.217  -0.0746   0.3179  -0.3581   0.3807   0.5786   0.5778  179.400   85.191  332.536  130.103 -153.1364 155.5126 
1 1 1   24   14   12 o  234.652  104.392   0.0307   0.4534   0.2972   0.6119  -0.2937   0.6751  289.557  125.206  245.160  115.524 44.39648 170.3592 
1 1 1   24   14   13 o  283.658  105.177   0.4517   0.3650   0.4209   0.4579   0.5053   0.6047  282.845  114.107  303.349  127.574 -20.50470 171.1593 
1 1 1   24   14   14 o  192.119   89.222  -0.1167   0.3790  -0.0827   0.4664  -0.1829   0.6502  212.835   98.887  232.614  110.714 -19.77962 148.4463 
1 1 1   24   14   15 o  299.133  118.178   0.6541   0.4809   0.9495   0.5743  -0.0390   0.8798  337.321  130.334  252.385  122.313 84.93625 178.7385 
1 1 1   24   16    0 o  668.071  140.576   2.4650   0.8368   2.4911   1.1421   2.4348   1.2296  632.126  184.732  615.496  194.212 16.62994 268.0379 
1 1 1   24   16    1 o  1052.71  103.440   5.6230   0.9890   6.5269   1.4801   4.8937   1.3294  1078.86  153.418  922.921  162.478 155.9387 223.4639 
1 1 1   24   16    2 o  616.969   52.924   1.8076   0.2975   1.7223   0.3056   3.3558   1.3019  601.053   55.903  727.822  191.723 -126.7686 199.7073 
1 1 1   24   16    3 o  856.606   36.711   3.4170   0.2894   3.7478   0.3869   2.9969   0.4360  892.412   47.278  792.138   60.267 100.2739 76.59885 
1 1 1   24   16    4 o  346.913   67.515   0.5941   0.2078   0.3058   0.2644   1.0593   0.3359  258.479   90.304  460.104   82.358 -201.6248 122.2197 
1 1 1   24   16    5 o  223.429   80.101   0.2149   0.2092   0.2637   0.2713   0.1435   0.3284  248.512   90.921  235.287   96.008 13.22409 132.2276 
1 1 1   24   16    6 o  804.977   45.016   3.0492   0.3321   2.6481   0.4088   3.8276   0.5695  743.383   60.284  888.565   70.222 -145.1820 92.54910 
1 1 1   24   16    7 o  586.401   55.794   1.6472   0.2974   1.7785   0.3700   1.4075   0.4999  604.063   67.739  514.423  109.006 89.63971 128.3387 
1 1 1   24   16    8 o  1051.24   44.411   5.2017   0.4296   5.0806   0.5283   5.4378   0.7380  1030.82   55.911  1049.17   76.980 -18.34558 95.14140 
1 1 1   24   16    9 o  435.411   82.115   0.9736   0.3169   0.8453   0.3804   1.2649   0.5732  394.190  103.532  465.850  129.196 -71.66000 165.5613 
1 1 1   24   16   10 o  933.643   78.695   4.4194   0.6698   4.4194   0.6698   0.0000   0.0000  933.643   78.695  ?   ?  0.000000 78.69452 
1 1 1   24   16   11 o  267.119  104.169   0.3347   0.3695   0.4827   0.4420  -0.0090   0.6734  301.091  114.839  267.368  122.257 33.72293 167.7342 
1 1 1   24   16   12 o  689.901   71.095   2.4591   0.4449   2.3529   0.5433   2.6754   0.7750  650.346   93.473  635.305  136.624 15.04126 165.5394 
1 1 1   24   16   13 o  909.539   73.748   4.4055   0.6119   4.4861   0.8739   4.3279   0.8571  840.861  116.036  826.061  115.948 14.79987 164.0381 
1 1 1   24   16   14 o  238.395  104.073   0.2433   0.4312   0.2939   0.4995   0.0955   0.8541  250.557  110.609  259.615  124.464 -9.058136 166.5102 
1 1 1   24   18    0 o  369.585  147.017   0.5635   0.7490   0.2567   0.9546   1.0548   1.2082  360.776  156.192  459.390  185.343 -98.61404 242.3799 
1 1 1   24   18    1 o  326.880  148.670  -0.1885   0.9790   0.0000   0.0000  -0.1885   0.9790  ?   ?   326.880  148.670 0.000000 148.6703 
1 1 1   24   18    2 o  580.309  199.287   2.1759   1.2851   0.0000   0.0000   2.1759   1.2851  ?   ?   580.309  199.287 0.000000 199.2872 
1 1 1   24   18    3 f  687.281   46.744   2.2251   0.2939   2.1536   0.3010   3.6774   1.3562  675.404   48.762  763.536  192.954 -88.13196 199.0201 
1 1 1   24   18    4 o  949.138   35.401   4.1933   0.3092   4.3729   0.3921   3.8981   0.5027  966.165   44.105  903.131   60.846 63.03412 75.14967 
1 1 1   24   18    5 o  385.130   61.196   0.7233   0.2096   0.6104   0.2542   0.9628   0.3704  346.657   81.136  430.909   95.894 -84.25204 125.6139 
1 1 1   24   18    6 o  410.964   66.434   0.8319   0.2427   0.8238   0.3003   0.8470   0.4118  401.673   83.955  396.797  109.309 4.875244 137.8290 
1 1 1   24   18    7 o  651.270   50.454   2.0225   0.3000   2.0660   0.3734   1.9434   0.5038  651.989   63.031  614.535   91.914 37.45471 111.4498 
1 1 1   24   18    8 o  151.074   71.708  -0.2833   0.2691  -0.6199   0.3273   0.4194   0.4730  143.149   70.466  302.388  117.872 -159.2398 137.3287 
1 1 1   24   18    9 f  791.997   64.714   3.0975   0.4675   3.8330   0.6175   2.1098   0.7155  868.384   78.116  588.824  134.952 279.5604 155.9294 
1 1 1   24   18   10 o  499.288   87.955   1.3398   0.3893   1.2804   0.4751   1.4611   0.6793  467.019  112.001  463.024  144.079 3.994965 182.4913 
1 1 1   24   18   11 o  330.338  113.049   0.6740   0.4135   1.0899   0.5458   0.1141   0.6333  400.513  129.720  263.762  119.812 136.7505 176.5844 
1 1 1   24   18   12 f  173.996   82.377  -0.2339   0.3507   0.1790   0.4580  -0.8195   0.5454  240.392  106.027  179.176   88.712 61.21613 138.2448 
1 1 1   24   18   13 o  214.925  103.426  -0.2596   0.6025  -1.1645   0.9382   0.3756   0.7860  216.075  108.415  273.861  127.619 -57.78546 167.4531 
1 1 1   24   20    0 o  460.856  170.317   1.1628   0.9557   1.1488   1.3230   1.1781   1.3820  473.161  192.837  478.369  196.268 -5.207703 275.1494 
1 1 1   24   20    1 o  951.212  124.653   4.7658   1.0648   4.8093   1.4877   4.7201   1.5247  888.661  187.808  871.104  195.070 17.55743 270.7841 
1 1 1   24   20    2 o  314.539  137.247   0.1146   0.7491  -0.7604   0.9409   1.6292   1.2379  281.355  133.701  511.953  192.918 -230.5981 234.7201 
1 1 1   24   20    3 o  465.858  158.470   1.2682   0.8124   1.5956   1.1419   0.9327   1.1560  503.681  186.169  432.551  178.707 71.12979 258.0602 
1 1 1   24   20    4 o  825.502   41.955   3.2015   0.3176   3.3677   0.3267   0.3283   1.3586  847.700   41.883  393.233  177.354 454.4674 182.2318 
1 1 1   24   20    5 o  643.724   52.114   1.9783   0.3060   2.0870   0.3135  -0.2085   1.4066  661.343   51.942  360.184  168.783 301.1586 176.5952 
1 1 1   24   20    6 o  391.424   69.166   0.7668   0.2400   1.0108   0.2993   0.3271   0.4017  447.646   75.334  278.572  108.623 169.0736 132.1900 
1 1 1   24   20    7 o  489.763   68.711   1.1988   0.3011   1.0727   0.3676   1.4564   0.5252  449.311   92.000  507.519  115.104 -58.20801 147.3526 
1 1 1   24   20    8 o  506.001   71.202   1.2994   0.3224   0.8208   0.3813   2.4984   0.6035  379.900  105.382  676.978   99.881 -297.0781 145.1948 
1 1 1   24   20    9 o  270.564   98.859   0.3842   0.3206   0.4004   0.4054   0.3572   0.5237  280.202  109.158  284.180  119.075 -3.978668 161.5374 
1 1 1   24   20   10 o  568.826   76.233   1.7184   0.3890   1.5834   0.4875   1.9551   0.6453  514.734  106.439  540.099  131.155 -25.36444 168.9109 
1 1 1   24   20   11 o  268.143  111.217   0.3988   0.4502   0.4092   0.5079   0.3605   0.9727  272.706  115.915  291.001  137.594 -18.29449 179.9122 
1 1 1   24   20   12 o  227.762  102.452   0.1462   0.4499  -0.6081   0.7888   0.5098   0.5477  218.899  108.065  277.584  119.231 -58.68518 160.9167 
1 1 1   24   22    0 o  1361.73  112.855   9.5876   1.4014   10.727   1.9229   8.2974   2.0465  1378.21  154.274  1141.06  202.317 237.1478 254.4258 
1 1 1   24   22    1 o  621.571  164.425   2.3361   0.9549   4.0810   1.3826   0.7441   1.3205  797.327  190.962  424.277  183.695 373.0499 264.9718 
1 1 1   24   22    2 o  278.169  134.128  -0.9979   1.0254  -0.9979   1.0254   0.0000   0.0000  278.169  134.128  ?   ?  0.000000 134.1285 
1 1 1   24   22    3 o  570.265  203.707   2.4339   1.3516   2.4339   1.3516   0.0000   0.0000  570.265  203.707  ?   ?  0.000000 203.7070 
1 1 1   24   22    4 o  294.311   72.186   0.4412   0.1940   0.4412   0.1940   0.0000   0.0000  294.311   72.186  ?   ?  0.000000 72.18611 
1 1 1   24   22    5 o  735.372   52.937   2.6020   0.3558   2.6129   0.3649   2.3916   1.6004  736.112   54.261  512.230  210.806 223.8822 217.6777 
1 1 1   24   22    6 f  552.961   71.052   1.5437   0.3532   1.6582   0.3653  -0.1008   1.3841  573.579   70.701  337.517  160.888 236.0623 175.7370 
1 1 1   24   22    7 o  538.399   70.494   1.4792   0.3408   1.5420   0.3860   1.2565   0.7264  542.847   79.638  421.103  149.457 121.7433 169.3505 
1 1 1   24   22    8 o  607.344   70.208   1.9031   0.3851   2.3880   0.4427   0.3946   0.7809  679.106   71.942  303.667  135.909 375.4392 153.7758 
1 1 1   24   22    9 o  507.739   74.028   1.3762   0.3357   1.4907   0.4588   1.2442   0.4924  497.707  103.554  433.126  119.613 64.58066 158.2107 
1 1 1   24   22   10 f  397.281   90.208   0.9322   0.3222   0.7892   0.4440   1.0914   0.4684  334.475  117.005  393.947  119.110 -59.47186 166.9650 
1 1 1   24   24    0 o  544.417  206.263   2.2414   1.4199   2.2414   1.4199   0.0000   0.0000  544.417  206.263  ?   ?  0.000000 206.2630 
1 1 1   24   24    1 o  350.075  150.043   0.4537   0.8640   0.5110   1.2113   0.3942   1.2327  382.081  170.258  375.392  169.157 6.688843 240.0033 
1 1 1   24   24    2 o  807.463  151.892   3.9925   1.0871   3.7849   1.4519   4.2573   1.6402  689.375  209.974  703.521  224.552 -14.14624 307.4290 
1 1 1   24   24    3 o  695.101  166.461   3.2369   1.0506   3.2857   1.4572   3.1841   1.5162  608.191  212.020  586.896  214.907 21.29431 301.8899 
1 1 1   24   24    4 o  620.856   43.293   1.8388   0.2458   1.7714   0.2840   2.0398   0.4904  604.890   51.519  621.695   88.199 -16.80536 102.1438 
1 1 1   24   24    5 o  213.266   81.264   0.1952   0.2212   0.1756   0.2530   0.2586   0.4555  214.971   85.469  264.041  110.867 -49.07053 139.9872 
1 1 1   24   24    6 o  767.676   49.589   2.8714   0.3484   2.7140   0.4137   3.2553   0.6462  735.195   61.726  766.568   93.549 -31.37311 112.0785 
1 1 1   24   24    7 o  148.659   71.433  -0.3111   0.2849   0.0677   0.3508  -1.0453   0.4884  210.917   92.922  158.329   79.266 52.58797 122.1377 
1 1 1   24   24    8 o  514.086   82.509   1.4779   0.3771   2.0157   0.4669   0.4694   0.6394  594.423   88.030  284.698  125.440 309.7253 153.2468 
1 1 1   24   24    9 o  271.113  110.763   0.4673   0.4378   0.4236   0.4614   0.8636   1.3885  264.975  111.433  304.776  149.017 -39.80081 186.0741 
1 1 1   24   26    0 o  555.370   52.090   1.4917   0.2631   1.5014   0.3204   1.4714   0.4611  550.285   64.491  520.123   99.971 30.16174 118.9673 
1 1 1   24   26    1 o  334.575  151.742   0.3561   1.0108   1.2204   1.4403  -0.4827   1.4189  407.402  183.281  321.179  155.574 86.22241 240.4063 
1 1 1   24   26    2 o  459.686  179.414   1.8240   1.0968   1.5006   1.4379   2.2741   1.6961  413.114  184.690  451.658  201.351 -38.54340 273.2265 
1 1 1   24   26    3 o  221.652   72.498   0.2500   0.1703   0.1470   0.1926   0.6186   0.3644  193.452   75.279  324.642  106.037 -131.1894 130.0413 
1 1 1   24   26    4 o  687.210   62.603   2.3900   0.3915   2.1660   0.5650   2.5968   0.5430  608.343  104.717  688.076   87.764 -79.73334 136.6315 
1 1 1   24   26    5 o  256.793   91.887   0.3659   0.2751   0.6446   0.3384  -0.1776   0.4726  324.417  101.812  207.730   97.498 116.6872 140.9659 
1 1 1   24   26    6 o  344.373   98.247   0.7325   0.3266   0.7918   0.4020   0.6173   0.5602  344.453  111.296  300.811  124.355 43.64258 166.8864 
1 1 1   24   28    0 o  287.963   93.843   0.4662   0.2855   0.3682   0.3417   0.6928   0.5194  266.014  101.086  331.404  124.948 -65.38913 160.7185 
1 1 1   24   28    1 o  294.203   87.895   0.4888   0.2562   0.5731   0.3015   0.2700   0.4860  313.601   95.727  261.591  112.336 52.01062 147.5906 
1 1 1   24   28    2 o  320.905   88.748   0.5932   0.2709   0.4431   0.3291   0.9084   0.4769  276.677  100.303  365.888  121.403 -89.21066 157.4778 
1 1 1   24   28    3 o  319.565   82.323   0.5803   0.2436   0.4989   0.2771   0.8567   0.5106  290.116   92.270  345.187  124.967 -55.07089 155.3396 
1 1 1   24   28    4 o  275.676  136.818  -0.2443   1.3269  -0.2443   1.3269   0.0000   0.0000  275.676  136.818  ?   ?  0.000000 136.8175 
1 1 1   25    1    0 o  627.238   69.008   1.9020   0.3917   2.1832   0.5650   1.6418   0.5435  658.568   96.065  562.761  108.896 95.80756 145.2132 
1 1 1   25    1    1 o  374.892  107.885   0.7340   0.3922   0.7194   0.5114   0.7549   0.6112  372.965  125.740  384.134  137.005 -11.16934 185.9600 
1 1 1   25    1    2 o  826.326   64.400   3.2788   0.4858   3.1781   0.6106   3.4524   0.8018  801.947   83.998  817.615  109.312 -15.66791 137.8576 
1 1 1   25    1    3 o  768.204   65.873   2.8460   0.4611   2.8012   0.5918   2.9152   0.7356  749.328   87.483  748.504  110.097 0.8239746 140.6226 
1 1 1   25    1    4 o  420.069   96.821   0.9172   0.3666   0.4401   0.4453   1.9201   0.6456  310.972  115.996  596.061  121.816 -285.0894 168.2095 
1 1 1   25    1    5 o  488.198   88.461   1.2121   0.3828   1.4192   0.6355   1.0941   0.4795  501.226  134.846  449.815  115.302 51.41104 177.4201 
1 1 1   25    1    6 o  229.941   93.478   0.1457   0.3099   0.1736   0.4988   0.1281   0.3955  275.142  115.793  247.126  103.512 28.01631 155.3147 
1 1 1   25    1    7 o  240.261   91.883   0.2235   0.2834   0.4709   0.3995  -0.0272   0.4022  311.462  110.798  226.381   99.623 85.08078 148.9998 
1 1 1   25    1    8 o  149.355   70.513  -0.2592   0.2537  -0.3300   0.3783  -0.2012   0.3421  185.271   87.046  187.483   86.245 -2.211578 122.5364 
1 1 1   25    1    9 o  328.973   95.925   0.5571   0.3083   0.7547   0.4528   0.3864   0.4208  376.728  117.697  298.036  112.442 78.69193 162.7753 
1 1 1   25    1   10 o  669.417   62.251   2.1574   0.3791   2.0569   0.5275   2.2647   0.5450  636.984   92.725  670.106   90.723 -33.12201 129.7251 
1 1 1   25    1   11 o  361.996   95.265   0.6854   0.3216   1.0426   0.4644   0.3562   0.4459  438.158  114.076  294.072  114.496 144.0862 161.6256 
1 1 1   25    1   12 f  420.890   95.016   0.9337   0.3593   1.9244   0.5399   0.1467   0.4813  605.133  100.494  264.873  112.713 340.2597 151.0077 
1 1 1   25    1   13 o  725.382   68.277   2.6032   0.4504   1.6585   0.5958   3.8622   0.6878  536.363  123.308  866.159   87.503 -329.7956 151.2009 
1 1 1   25    1   14 o  787.035   66.672   3.0947   0.4783   3.2743   0.6847   2.9235   0.6685  775.979   98.079  727.782  102.670 48.19708 141.9885 
1 1 1   25    1   15 o  195.319   89.846  -0.1173   0.3712  -0.4106   0.4977   0.2503   0.5571  198.440   95.101  269.875  118.045 -71.43530 151.5877 
1 1 1   25    1   16 o  941.020  103.546   5.3466   0.8818   5.5049   1.2566   5.1931   1.2376  794.710  176.441  762.560  179.378 32.15076 251.6113 
1 1 1   25    3    0 o  781.683   87.943   3.0244   0.6216   3.0244   0.6216   0.0000   0.0000  781.683   87.943  ?   ?  0.000000 87.94274 
1 1 1   25    3    1 o  1343.83   56.859   8.5462   0.7031   8.1943   0.8291   9.4471   1.3266  1305.53   69.265  1363.12  106.613 -57.58862 127.1379 
1 1 1   25    3    2 o  373.507  106.833   0.7313   0.3857   0.7110   0.4580   0.7810   0.7151  368.486  118.771  392.486  146.873 -24.00006 188.8873 
1 1 1   25    3    3 o  1009.20   61.598   4.8725   0.5693   4.9889   0.6699   4.5701   1.0801  1014.00   72.267  918.541  131.542 95.45966 150.0865 
1 1 1   25    3    4 o  213.224   88.447   0.0908   0.2848  -0.3282   0.4256   0.4306   0.3833  199.595   93.310  301.986  108.412 -102.3907 143.0381 
1 1 1   25    3    5 o  869.054   63.182   3.6333   0.5018   3.5677   0.6459   3.7333   0.7969  847.292   83.955  850.764  103.957 -3.471985 133.6243 
1 1 1   25    3    6 o  279.333   93.511   0.3814   0.2828   0.4103   0.4158   0.3565   0.3858  300.827  112.115  286.182  107.728 14.64478 155.4834 
1 1 1   25    3    7 o  319.132  100.601   0.5223   0.3300   0.8362   0.6547   0.4154   0.3821  394.005  141.664  298.003  108.072 96.00204 178.1802 
1 1 1   25    3    8 o  706.625   57.154   2.3862   0.3684   2.3717   0.5345   2.3994   0.5086  688.656   86.238  695.953   80.929 -7.296814 118.2650 
1 1 1   25    3    9 o  217.878   90.345   0.0962   0.2970   0.0902   0.4223   0.1021   0.4178  248.498  105.659  249.238  105.492 -0.7402344 149.3061 
1 1 1   25    3   10 o  604.623   64.068   1.7680   0.3510   1.9522   0.4956   1.5827   0.4972  622.333   89.088  552.258  101.589 70.07465 135.1187 
1 1 1   25    3   11 o  554.962   90.145   1.5711   0.4445   1.8676   0.5413   0.9571   0.7791  598.303  101.977  413.275  153.573 185.0277 184.3474 
1 1 1   25    3   12 f  366.877  109.395   0.7328   0.3972   0.6067   0.4627   1.0862   0.7744  339.183  119.391  424.709  153.882 -85.52603 194.7661 
1 1 1   25    3   13 o  273.484  103.380   0.3472   0.3562   0.1870   0.4683   0.5669   0.5485  263.578  111.634  330.612  127.476 -67.03448 169.4471 
1 1 1   25    3   14 o  311.304  107.637   0.5419   0.3752   0.8194   0.5330   0.2693   0.5283  364.437  128.161  277.119  118.010 87.31735 174.2171 
1 1 1   25    3   15 o  849.550   80.714   3.8453   0.6234   4.2749   1.0580   3.6168   0.7715  773.408  154.078  780.564  110.505 -7.156006 189.6086 
1 1 1   25    3   16 o  193.660   90.463  -0.1391   0.3987  -0.1126   0.5644  -0.1655   0.5634  225.094  105.935  220.876  104.523 4.218002 148.8192 
1 1 1   25    5    0 o  544.314   75.576   1.4523   0.3683   1.5680   0.5356   1.3485   0.5073  548.694  109.923  506.947  111.753 41.74738 156.7538 
1 1 1   25    5    1 f  1009.50   51.250   4.8100   0.4745   4.6458   0.6862   4.9605   0.6568  976.809   76.969  1013.71   70.863 -36.90497 104.6225 
1 1 1   25    5    2 o  692.339   59.554   2.2931   0.3757   2.6176   0.5646   2.0352   0.5033  725.549   86.258  637.777   88.120 87.77136 123.3104 
1 1 1   25    5    3 f  494.732   75.015   1.2092   0.3308   1.1253   0.4910   1.2789   0.4476  457.167  116.412  496.025  101.484 -38.85815 154.4368 
1 1 1   25    5    4 o  1416.02   56.378   9.5180   0.7346   9.5209   0.8598   9.5101   1.4137  1407.90   66.364  1348.33  115.050 59.57043 132.8182 
1 1 1   25    5    5 o  397.023  110.678   0.8436   0.4195   0.6356   0.4809   1.5056   0.8580  351.254  121.835  498.404  162.709 -147.1494 203.2679 
1 1 1   25    5    6 o  794.351   54.104   3.0034   0.3931   3.0441   0.5612   2.9641   0.5508  785.501   78.706  775.298   78.280 10.20264 111.0063 
1 1 1   25    5    7 o  607.315   80.773   1.8338   0.4402   1.5586   0.4966   2.8435   0.9512  547.191  102.385  700.322  151.967 -153.1310 183.2396 
1 1 1   25    5    8 o  346.804  120.323   0.6117   0.4691   1.4680   0.6393  -0.3869   0.6904  511.859  134.115  257.982  120.013 253.8771 179.9721 
1 1 1   25    5    9 o  265.888   94.917   0.3210   0.2934   0.3122   0.4223   0.3293   0.4080  284.555  111.251  285.359  109.963 -0.8033447 156.4243 
1 1 1   25    5   10 o  201.601   85.814   0.0380   0.2791   0.2407   0.3960  -0.1622   0.3935  266.414  106.591  207.529   94.336 58.88527 142.3408 
1 1 1   25    5   11 f  371.344   99.935   0.7305   0.3490   0.7879   0.4640   0.6557   0.5295  380.061  119.218  354.748  127.421 25.31302 174.4968 
1 1 1   25    5   12 o  563.305   75.811   1.5899   0.3830   2.1294   0.5484   1.0764   0.5350  638.340   96.371  432.313  126.469 206.0266 159.0030 
1 1 1   25    5   13 o  286.545  106.573   0.4055   0.3754   0.7605   0.5207   0.0214   0.5416  361.832  126.701  255.108  113.752 106.7237 170.2726 
1 1 1   25    5   14 o  442.723  115.577   1.1747   0.4759   1.2497   0.7457   1.1231   0.6181  417.881  151.070  410.125  138.234 7.755768 204.7700 
1 1 1   25    5   15 o  822.805   69.569   3.5033   0.5218   3.9310   0.7482   3.0984   0.7280  824.981  100.651  710.972  115.227 114.0088 152.9959 
1 1 1   25    5   16 o  339.490  115.935   0.8014   0.4348   0.4287   0.5798   1.2803   0.6573  275.891  120.556  388.102  141.593 -112.2103 185.9637 
1 1 1   25    7    0 o  147.792   71.195  -0.4072   0.2873  -0.3768   0.4362  -0.4304   0.3818  199.367   93.603  178.155   84.806 21.21194 126.3075 
1 1 1   25    7    1 o  273.677  100.987   0.3230   0.3357   0.7530   0.4654  -0.1437   0.4848  378.228  119.492  235.300  106.052 142.9275 159.7660 
1 1 1   25    7    2 o  549.057   75.940   1.4845   0.3734   1.1469   0.4745   2.0333   0.6050  464.368  112.291  624.434  109.282 -160.0663 156.6902 
1 1 1   25    7    3 o  767.854   73.502   2.8764   0.5130   3.0875   0.5926   2.2457   1.0244  789.903   82.767  600.916  174.768 188.9863 193.3753 
1 1 1   25    7    4 o  1035.17   62.060   5.1361   0.5884   5.2724   0.6857   4.7552   1.1462  1041.74   71.969  926.958  138.636 114.7860 156.2034 
1 1 1   25    7    5 o  709.691   56.097   2.4046   0.3633   2.9943   0.5630   1.9838   0.4757  778.726   79.695  630.055   84.147 148.6708 115.8961 
1 1 1   25    7    6 o  407.223  103.656   0.8759   0.3894   1.0011   0.4345   0.3649   0.8778  433.192  109.075  353.211  151.307 79.98065 186.5236 
1 1 1   25    7    7 o  210.988   86.522   0.1029   0.2684  -0.3416   0.3671   0.6137   0.3935  180.790   85.189  343.921  110.006 -163.1310 139.1345 
1 1 1   25    7    8 o  567.424   66.392   1.5621   0.3401   1.7248   0.4977   1.4195   0.4658  581.117   96.463  524.053  100.248 57.06421 139.1212 
1 1 1   25    7    9 o  276.485  103.627   0.3262   0.3562   0.2718   0.6350   0.3511   0.4303  312.350  131.013  292.702  112.898 19.64847 172.9462 
1 1 1   25    7   10 o  527.735   78.933   1.3888   0.3715   1.4050   0.5183   1.3717   0.5328  511.473  113.133  502.576  117.345 8.896912 162.9997 
1 1 1   25    7   11 o  249.359   96.129   0.2463   0.3119   0.1271   0.4042   0.4215   0.4902  247.064  104.123  308.956  120.125 -61.89194 158.9704 
1 1 1   25    7   12 o  217.678   93.584   0.0536   0.3380   0.0964   0.4647   0.0056   0.4924  252.421  109.129  246.809  109.340 5.612640 154.4816 
1 1 1   25    7   13 o  350.996  115.902   0.7113   0.4349   0.7185   0.6919   0.7066   0.5592  353.677  141.106  348.866  130.012 4.811584 191.8695 
1 1 1   25    7   14 o  205.490   92.586  -0.0399   0.3692  -0.2082   0.4728   0.2231   0.5910  211.249   98.620  274.151  120.701 -62.90207 155.8680 
1 1 1   25    7   15 o  726.623   71.949   2.7802   0.4747   3.8455   0.6709   1.7119   0.6719  828.117   89.467  476.839  142.303 351.2782 168.0905 
1 1 1   25    7   16 o  566.293  100.753   1.9737   0.5058   2.3216   0.6309   1.3481   0.8460  581.685  121.782  360.857  151.281 220.8277 194.2086 
1 1 1   25    9    0 f  327.083   96.500   0.5449   0.3103   0.2844   0.4318   0.8233   0.4463  283.028  111.927  394.689  115.524 -111.6613 160.8526 
1 1 1   25    9    1 o  808.660   54.439   3.1025   0.4027   2.7415   0.5704   3.4613   0.5686  744.083   84.829  843.843   73.981 -99.76093 112.5571 
1 1 1   25    9    2 o  798.714   52.189   3.0222   0.3815   2.9305   0.5459   3.1098   0.5332  773.092   77.800  799.279   73.318 -26.18701 106.9032 
1 1 1   25    9    3 o  335.189   91.130   0.5776   0.2885  -0.0173   0.4463   1.0045   0.3780  239.615  105.208  440.805   95.927 -201.1894 142.3755 
1 1 1   25    9    4 o  357.253   88.584   0.6558   0.2898   0.2237   0.4659   0.9283   0.3700  277.265  113.880  422.543   97.198 -145.2777 149.7204 
1 1 1   25    9    5 o  237.401   89.116   0.2269   0.2637   0.3811   0.4138   0.1215   0.3421  295.738  111.512  234.054   97.001 61.68378 147.7980 
1 1 1   25    9    6 o  330.196   89.451   0.5594   0.2785   0.7605   0.4127   0.3913   0.3774  378.595  111.171  293.220  107.245 85.37491 154.4680 
1 1 1   25    9    7 o  570.168   97.445   1.6637   0.4929   1.6637   0.4929   0.0000   0.0000  570.168   97.445  ?   ?  0.000000 97.44508 
1 1 1   25    9    8 o  784.037   55.959   2.9266   0.4011   2.3793   0.5196   3.7332   0.6308  692.525   83.204  871.744   79.517 -179.2192 115.0902 
1 1 1   25    9    9 o  731.270   60.158   2.5654   0.4012   2.1994   0.5440   3.0020   0.5941  658.973   92.237  776.671   84.498 -117.6978 125.0905 
1 1 1   25    9   10 o  604.129   86.712   1.8463   0.4682   2.6443   0.8879   1.5390   0.5510  673.179  147.426  532.419  115.777 140.7594 187.4533 
1 1 1   25    9   11 o  680.970   77.628   2.3192   0.4777   2.6295   0.7635   2.1195   0.6124  684.810  125.805  626.609  110.240 58.20105 167.2710 
1 1 1   25    9   12 o  799.175   69.780   3.1737   0.5080   3.6591   0.7678   2.7958   0.6775  823.961  103.554  717.128  105.851 106.8322 148.0805 
1 1 1   25    9   13 o  916.825   57.999   4.1229   0.4868   4.3037   0.6479   3.8887   0.7375  914.824   77.708  846.228   96.438 68.59625 123.8498 
1 1 1   25    9   14 o  505.491   91.205   1.4234   0.4086   1.4001   0.5372   1.4554   0.6295  466.003  123.348  454.628  138.208 11.37482 185.2464 
1 1 1   25    9   15 o  553.261   97.396   1.8125   0.4777   1.5035   0.5468   2.8084   0.9817  465.056  125.068  536.536  173.989 -71.47992 214.2760 
1 1 1   25   11    0 o  549.582   67.202   1.4635   0.3328   0.9041   0.4489   2.1458   0.4958  412.881  114.277  658.633   83.694 -245.7527 141.6476 
1 1 1   25   11    1 o  1194.24   43.723   6.6765   0.4805   6.5773   0.6945   6.7676   0.6654  1171.88   64.651  1191.38   60.904 -19.50427 88.82052 
1 1 1   25   11    2 o  626.699   56.080   1.8739   0.3200   1.4215   0.4719   2.2588   0.4353  524.183  101.503  681.844   70.401 -157.6609 123.5278 
1 1 1   25   11    3 o  276.021   86.115   0.3777   0.2425   0.3192   0.4159   0.4078   0.2985  285.026  110.695  288.676   96.049 -3.650482 146.5563 
1 1 1   25   11    4 o  528.883   62.747   1.3520   0.2994   1.3310   0.4803   1.3653   0.3829  503.339  106.992  522.878   82.310 -19.53864 134.9900 
1 1 1   25   11    5 o  596.362   57.511   1.7019   0.3117   2.3251   0.4883   1.2734   0.4049  687.240   78.637  500.424   91.291 186.8154 120.4894 
1 1 1   25   11    6 o  291.360   93.786   0.4204   0.2857   0.0243   0.4108   0.7910   0.3974  236.881  102.510  387.471  107.626 -150.5902 148.6326 
1 1 1   25   11    7 o  863.447   52.026   3.5294   0.4114   3.6982   0.5788   3.3569   0.5850  872.457   72.758  827.920   77.694 44.53687 106.4425 
1 1 1   25   11    8 o  524.476   93.849   1.4061   0.4363   1.2080   0.4785   2.3835   1.0627  476.157  111.216  615.474  177.723 -139.3167 209.6531 
1 1 1   25   11    9 o  391.057   95.254   0.7992   0.3396   0.7819   0.4516   0.8216   0.5151  380.357  117.333  387.882  126.048 -7.525055 172.2067 
1 1 1   25   11   10 o  1008.35   61.936   4.9109   0.5719   5.1428   0.7317   4.5469   0.9168  1017.34   78.775  925.181  109.841 92.16461 135.1690 
1 1 1   25   11   11 o  732.693   80.797   2.7208   0.5357   2.0973   0.6936   3.6423   0.8433  601.190  129.225  811.981  116.175 -210.7905 173.7692 
1 1 1   25   11   12 o  836.947   57.166   3.4160   0.4376   3.7600   0.5715   2.9283   0.6805  863.664   72.580  729.352  104.372 134.3123 127.1277 
1 1 1   25   11   13 o  366.627  110.695   0.8106   0.4048   0.7761   0.4786   0.8975   0.7589  351.925  121.569  361.166  146.478 -9.241089 190.3548 
1 1 1   25   11   14 o  382.677  114.368   0.9520   0.4337   0.7897   0.4942   1.4966   0.9052  339.940  122.961  398.316  160.526 -58.37598 202.2077 
1 1 1   25   11   15 o  317.173  112.192   0.6934   0.4090   0.9278   0.5056   0.2492   0.6959  349.808  124.627  262.530  121.562 87.27747 174.0957 
1 1 1   25   13    0 o  1076.93   43.319   5.4237   0.4293   5.1541   0.5909   5.7250   0.6246  1039.34   62.073  1095.47   62.223 -56.13403 87.89013 
1 1 1   25   13    1 o  920.125   43.945   3.9629   0.3721   4.1373   0.5578   3.8232   0.4994  928.354   65.724  894.830   61.015 33.52338 89.67998 
1 1 1   25   13    2 o  195.085   76.951   0.1158   0.2036   0.4104   0.3871   0.0031   0.2394  299.566  108.753  182.738   78.666 116.8283 134.2221 
1 1 1   25   13    3 o  366.842   75.606   0.6726   0.2467   0.5605   0.4187   0.7321   0.3054  334.484  113.772  378.408   89.161 -43.92429 144.5470 
1 1 1   25   13    4 o  243.536   82.877   0.2750   0.2222   0.4609   0.3848   0.1821   0.2721  310.137  108.907  229.529   89.429 80.60751 140.9196 
1 1 1   25   13    5 o  1726.70   39.881   13.915   0.6337   14.022   0.9033   13.812   0.8891  1720.54   57.058  1708.04   56.570 12.50183 80.34742 
1 1 1   25   13    6 o  856.355   49.085   3.4598   0.3852   4.1021   0.5550   2.8629   0.5350  923.888   65.711  764.853   77.065 159.0343 101.2771 
1 1 1   25   13    7 o  231.177   89.433   0.1932   0.2707  -0.1265   0.3631   0.5930   0.4061  203.349   91.702  339.958  111.985 -136.6096 144.7403 
1 1 1   25   13    8 o  553.031   66.532   1.4907   0.3318   1.3084   0.4263   1.7707   0.5283  503.225   95.564  583.094  102.188 -79.86868 139.9102 
1 1 1   25   13    9 o  616.140   88.830   1.9365   0.4891   1.8348   0.5337   2.4691   1.2216  590.777  101.856  588.058  194.254 2.718628 219.3385 
1 1 1   25   13   10 o  504.100   76.771   1.2842   0.3449   1.1371   0.4293   1.5518   0.5790  457.176  104.355  521.747  122.662 -64.57086 161.0469 
1 1 1   25   13   11 o  533.523   78.857   1.4632   0.3755   1.3436   0.4603   1.7008   0.6490  491.800  104.918  526.911  133.656 -35.11130 169.9173 
1 1 1   25   13   12 o  536.009  108.461   1.6591   0.5166   1.4494   0.6622   1.9852   0.8257  460.986  142.057  519.951  158.346 -58.96542 212.7290 
1 1 1   25   13   13 f  524.408   91.556   1.5466   0.4257   2.0427   0.5331   0.6733   0.7073  592.278  101.469  322.253  136.874 270.0241 170.3835 
1 1 1   25   13   14 o  327.218  113.665   0.7284   0.4186   0.9477   0.5207   0.3277   0.7040  356.247  126.527  273.535  125.049 82.71179 177.8941 
1 1 1   25   15    0 o  1007.49   41.017   4.7359   0.3802   4.5633   0.5468   4.8976   0.5292  979.033   60.998  1016.62   56.793 -37.59155 83.34373 
1 1 1   25   15    1 o  641.928   44.407   1.9365   0.2607   2.3111   0.4382   1.7313   0.3243  691.414   69.831  601.797   59.342 89.61664 91.64009 
1 1 1   25   15    2 o  1564.50   36.186   11.388   0.5209   13.035   0.8356   10.341   0.6663  1662.00   54.640  1484.10   48.788 177.9015 73.25117 
1 1 1   25   15    3 o  1614.43   37.867   12.140   0.5625   14.186   0.8999   10.828   0.7207  1732.28   56.456  1516.72   51.640 215.5529 76.51110 
1 1 1   25   15    4 o  1085.01   42.836   5.5039   0.4277   5.0923   0.6073   5.9090   0.6024  1031.65   64.289  1114.93   58.928 -83.28003 87.20985 
1 1 1   25   15    5 o  722.156   49.336   2.4633   0.3259   2.4630   0.4405   2.4637   0.4843  713.986   67.869  710.272   75.246 3.714722 101.3320 
1 1 1   25   15    6 o  286.516   88.100   0.4110   0.2548   0.7525   0.3565   0.0541   0.3645  379.304  100.518  228.937   97.769 150.3673 140.2238 
1 1 1   25   15    7 o  434.509   75.162   0.9420   0.2896   0.7879   0.3668   1.1973   0.4721  386.061  101.797  472.538  110.537 -86.47675 150.2702 
1 1 1   25   15    8 o  589.419   60.979   1.6839   0.3259   1.5404   0.3990   1.9715   0.5650  553.237   80.768  611.033  104.228 -57.79596 131.8590 
1 1 1   25   15    9 o  911.554   50.375   3.9656   0.4209   4.6359   0.5284   2.8014   0.6963  979.444   58.898  720.690  108.349 258.7531 123.3226 
1 1 1   25   15   10 o  215.194   97.435  -0.0916   0.4147  -0.0916   0.4147   0.0000   0.0000  215.194   97.435  ?   ?  0.000000 97.43497 
1 1 1   25   15   11 o  215.873   93.814   0.0635   0.3470  -0.2129   0.4063   0.8092   0.6673  196.918   91.759  356.757  139.748 -159.8392 167.1799 
1 1 1   25   15   12 o  209.367   96.524  -0.1051   0.4317  -0.1605   0.6149  -0.0511   0.6063  237.148  111.276  244.641  113.346 -7.493591 158.8386 
1 1 1   25   15   13 o  264.604  106.460   0.3924   0.3974  -0.1003   0.4742   1.5555   0.7285  212.235   98.976  423.244  149.726 -211.0097 179.4827 
1 1 1   25   15   14 o  280.641  131.164   0.4849   0.8400   0.0000   0.0000   0.4849   0.8400  ?   ?   280.641  131.164 0.000000 131.1644 
1 1 1   25   17    0 o  595.730  162.601   2.0417   0.9163   1.6334   1.2258   2.5587   1.3793  524.919  193.079  630.362  206.328 -105.4427 282.5786 
1 1 1   25   17    1 o  343.267  157.449  -0.2768   1.1287   0.0000   0.0000  -0.2768   1.1287  ?   ?   343.267  157.449 0.000000 157.4487 
1 1 1   25   17    2 o  1787.10   36.131   14.854   0.5941   14.587   0.6157   18.469   2.2662  1770.08   37.801  1868.34  132.684 -98.26526 137.9631 
1 1 1   25   17    3 o  312.234   70.811   0.4852   0.1988   0.5169   0.2712   0.4484   0.2922  319.237   88.984  300.217   94.665 19.01971 129.9216 
1 1 1   25   17    4 o  193.837   75.580   0.1219   0.1945   0.3661   0.2709  -0.1379   0.2794  275.421   91.496  174.773   79.466 100.6483 121.1873 
1 1 1   25   17    5 o  500.284   54.783   1.1985   0.2481   1.0692   0.3132   1.4159   0.4063  463.964   76.002  530.231   86.235 -66.26663 114.9468 
1 1 1   25   17    6 o  1043.32   39.987   5.0952   0.3839   4.6383   0.4720   5.9882   0.6599  988.338   52.081  1114.19   64.640 -125.8534 83.01043 
1 1 1   25   17    7 o  387.334   81.002   0.7679   0.2794   0.8111   0.3537   0.6963   0.4558  390.326   98.473  358.237  118.672 32.08890 154.2079 
1 1 1   25   17    8 o  644.004   62.382   2.0273   0.3650   1.7811   0.4249   2.7218   0.7135  592.382   79.988  703.395  114.143 -111.0135 139.3801 
1 1 1   25   17    9 o  737.104   61.581   2.6705   0.4139   2.3508   0.4804   3.5910   0.8151  678.155   78.429  798.941  114.116 -120.7860 138.4685 
1 1 1   25   17   10 f  336.615  122.039   0.6800   0.4872   1.0746   0.5324  -1.3501   1.2076  410.844  127.509  263.987  130.932 146.8579 182.7619 
1 1 1   25   17   11 o  1363.25   52.581   9.1175   0.6596   8.6956   0.7601   10.404   1.3273  1313.90   62.867  1322.90  110.039 -8.994995 126.7314 
1 1 1   25   17   12 o  306.343  110.412   0.6078   0.3979   0.9895   0.5034  -0.0276   0.6496  370.978  124.757  243.410  114.264 127.5677 169.1766 
1 1 1   25   17   13 o  314.689  138.626   0.8907   0.7805   0.0000   0.0000   0.8907   0.7805  ?   ?   314.689  138.626 0.000000 138.6257 
1 1 1   25   19    0 o  892.978  206.723   5.0161   1.6651   0.0000   0.0000   5.0161   1.6651  ?   ?   892.978  206.723 0.000000 206.7231 
1 1 1   25   19    1 o  259.263  122.584  -0.6435   0.7719  -0.9650   1.0780  -0.3052   1.1059  294.992  140.996  336.833  154.994 -41.84061 209.5307 
1 1 1   25   19    2 o  1150.14  108.373   6.7632   1.1334   5.6565   1.5184   8.1556   1.7032  978.397  175.087  1200.79  157.982 -222.3965 235.8253 
1 1 1   25   19    3 o  322.370   92.497   0.5321   0.2887   0.5356   0.2975   0.4757   1.1943  323.317   94.230  396.700  173.193 -73.38266 197.1674 
1 1 1   25   19    4 o  477.661   48.765   1.0860   0.2113   1.0439   0.2667   1.1570   0.3464  462.592   64.408  479.870   81.352 -17.27829 103.7615 
1 1 1   25   19    5 o  275.302   78.082   0.3841   0.2069   0.3845   0.2607   0.3836   0.3401  277.230   89.640  284.400  102.121 -7.169800 135.8825 
1 1 1   25   19    6 o  297.569   81.701   0.4574   0.2305   0.3273   0.2763   0.7557   0.4183  261.621   92.239  370.331  112.691 -108.7100 145.6275 
1 1 1   25   19    7 f  366.144   83.910   0.7036   0.2767   0.7744   0.3399   0.5647   0.4761  377.600   97.243  326.171  120.281 51.42917 154.6729 
1 1 1   25   19    8 o  363.209   89.384   0.7146   0.2967   0.8545   0.3740   0.4769   0.4873  389.263  102.870  305.788  119.524 83.47534 157.6960 
1 1 1   25   19    9 o  623.424   83.571   2.0660   0.4673   0.8745   0.6648   3.2297   0.6571  361.973  140.127  766.366   95.229 -404.3924 169.4231 
1 1 1   25   19   10 o  355.863  101.774   0.7620   0.3500   0.5646   0.4391   1.1060   0.5797  304.104  114.828  392.846  133.867 -88.74271 176.3687 
1 1 1   25   19   11 o  856.367   82.366   4.0683   0.6410   3.7871   0.7039   5.4356   1.5521  799.902   97.658  621.377  218.680 178.5248 239.4955 
1 1 1   25   21    0 o  891.315  141.833   4.3657   1.1243   4.7972   1.5171   3.8400   1.6745  875.874  193.404  733.297  225.887 142.5768 297.3718 
1 1 1   25   21    1 o  428.177  163.383   0.9930   0.8949   0.6077   1.1723   1.5311   1.3853  405.177  174.249  496.873  199.169 -91.69595 264.6340 
1 1 1   25   21    2 o  362.165  151.715   0.4941   0.8498   0.2289   1.0530   0.9895   1.4393  359.025  159.434  445.411  192.310 -86.38547 249.8047 
1 1 1   25   21    3 o  503.096  193.060   1.7462   1.2539   1.7462   1.2539   0.0000   0.0000  503.096  193.060  ?   ?  0.000000 193.0599 
1 1 1   25   21    4 o  271.387   80.734   0.3751   0.2165   0.3751   0.2165   0.0000   0.0000  271.387   80.734  ?   ?  0.000000 80.73356 
1 1 1   25   21    5 o  264.305   86.755   0.3534   0.2438   0.3534   0.2438   0.0000   0.0000  264.305   86.755  ?   ?  0.000000 86.75499 
1 1 1   25   21    6 o  272.751   94.490   0.3813   0.2892   0.3814   0.2965   0.3791   1.3152  273.277   95.611  358.950  166.532 -85.67352 192.0272 
1 1 1   25   21    7 o  232.696   88.706   0.2422   0.2636   0.6547   0.3391  -0.3878   0.4191  339.199  101.076  184.782   88.206 154.4172 134.1513 
1 1 1   25   21    8 o  510.070   73.360   1.3586   0.3344   1.2643   0.4147   1.5338   0.5656  469.743   99.052  489.000  125.162 -19.25665 159.6150 
1 1 1   25   21    9 o  463.043   85.256   1.1956   0.3499   1.2353   0.4483   1.1339   0.5596  444.117  110.217  395.610  131.515 48.50699 171.5925 
1 1 1   25   21   10 o  347.802  106.345   0.7905   0.3719   0.6595   0.4651   1.0228   0.6193  308.035  117.731  352.853  135.615 -44.81769 179.5888 
1 1 1   25   23    0 o  851.690  202.859   4.9644   1.5671   4.9644   1.5671   0.0000   0.0000  851.690  202.859  ?   ?  0.000000 202.8589 
1 1 1   25   23    1 o  412.189  179.834   0.8114   1.2858   0.8114   1.2858   0.0000   0.0000  412.189  179.834  ?   ?  0.000000 179.8344 
1 1 1   25   23    2 o  255.663  123.174  -0.8011   0.8605  -0.4615   1.0742  -1.4095   1.4378  304.440  144.142  305.525  149.853 -1.085327 207.9253 
1 1 1   25   23    3 o  640.567  171.475   2.8089   1.0308   3.7903   1.4540   1.8174   1.4614  676.628  210.834  471.124  198.238 205.5036 289.3949 
1 1 1   25   23    4 o  523.833   85.383   1.4384   0.3974   1.4570   0.4129   1.2043   1.4638  524.864   88.648  411.606  185.010 113.2588 205.1518 
1 1 1   25   23    5 o  300.969   88.477   0.4937   0.2613   0.4695   0.2652   1.2870   1.5193  293.649   89.812  399.644  183.071 -105.9957 203.9149 
1 1 1   25   23    6 o  658.244   63.597   2.1841   0.3804   2.0664   0.3902   4.4430   1.7099  636.580   67.649  580.381  224.710 56.19830 234.6715 
1 1 1   25   23    7 o  454.634   93.486   1.1837   0.3780   1.2543   0.3939   0.3591   1.3461  466.947   94.905  317.545  153.258 149.4023 180.2636 
1 1 1   25   23    8 o  556.246   79.396   1.7003   0.3948   1.4795   0.4380   2.6593   0.9127  496.439   99.340  539.992  166.837 -43.55267 194.1729 
1 1 1   25   23    9 o  264.624  117.879   0.3676   0.5801  -0.3151   0.8580   0.9425   0.7874  240.248  117.398  322.317  140.673 -82.06981 183.2243 
1 1 1   25   25    0 o  380.527  166.004   0.7400   1.0953  -0.2604   1.4467   2.0838   1.6767  343.473  163.937  481.498  207.729 -138.0253 264.6259 
1 1 1   25   25    1 o  520.774  185.281   2.1754   1.1171   2.5366   1.5254   1.7576   1.6405  511.570  207.606  447.287  198.798 64.28345 287.4391 
1 1 1   25   25    2 o  373.572  162.717   0.8672   1.0487   1.9003   1.4361  -0.3132   1.5351  449.587  193.091  332.299  161.165 117.2874 251.5121 
1 1 1   25   25    3 o  357.967  156.391   0.8173   0.9753   0.5270   1.2134   1.3474   1.6396  344.445  159.856  393.975  183.835 -49.53079 243.6171 
1 1 1   25   25    4 o  840.409   43.334   3.3962   0.3340   3.4553   0.3394   1.5858   1.8785  847.422   43.671  382.778  183.793 464.6438 188.9098 
1 1 1   25   25    5 o  419.599   71.868   0.9329   0.2675   0.9296   0.3017   0.9448   0.5781  410.287   82.780  362.049  132.687 48.23795 156.3917 
1 1 1   25   25    6 o  474.453   77.419   1.2300   0.3263   0.9321   0.4006   1.8179   0.5627  380.189  108.916  525.282  119.162 -145.0933 161.4380 
1 1 1   25   27    0 f  587.094   51.671   1.6852   0.2763   1.2125   0.3358   2.6764   0.4863  479.085   78.913  719.412   74.537 -240.3265 108.5498 
1 1 1   25   27    1 o  448.232  183.298   2.0911   1.2004   0.6209   1.5620   4.2124   1.8763  345.684  166.395  515.290  220.990 -169.6062 276.6294 
1 1 1   25   27    2 o  268.022  131.136  -0.5295   1.0808  -1.0350   1.3607   0.3342   1.7787  272.815  135.916  329.842  162.731 -57.02759 212.0249 
1 1 1   25   27    3 o  173.137   72.236   0.0783   0.1915   0.1205   0.2433   0.0095   0.3106  195.632   81.501  192.879   86.062 2.752975 118.5291 
1 1 1   25   27    4 f  330.530  159.328   1.1116   1.4443   1.1116   1.4443   0.0000   0.0000  330.530  159.328  ?   ?  0.000000 159.3277 
1 1 1   25   29    0 f  332.721  165.007   0.8547   1.9161   0.0000   0.0000   0.8547   1.9161  ?   ?   332.721  165.007 0.000000 165.0068 
1 1 1   26    0    0 o  715.963   98.469   2.5861   0.6138   2.5861   0.6138   2.5861   0.6138  715.963   98.469  715.963   98.469 0.000000 0.000000 
1 1 1   26    0    2 f  439.306  172.150   1.3322   0.6662   1.3322   0.6662   1.3322   0.6662  439.306  172.150  439.306  172.150 0.000000 0.000000 
1 1 1   26    0    3 o  133.865   95.605  -0.7349   0.5310  -0.7349   0.5310  -0.7349   0.5310  133.865   95.605  133.865   95.605 0.000000 0.000000 
1 1 1   26    0    4 o  151.629  105.545  -0.4214   0.5262  -0.4214   0.5262  -0.4214   0.5262  151.629  105.545  151.629  105.545 0.000000 0.000000 
1 1 1   26    0    5 o  1265.00   69.788   7.5878   0.8067   7.5878   0.8067   7.5878   0.8067  1265.00   69.788  1265.00   69.788 0.000000 0.000000 
1 1 1   26    0    6 o  183.477  116.369   0.0901   0.4257   0.0901   0.4257   0.0901   0.4257  183.477  116.369  183.477  116.369 0.000000 0.000000 
1 1 1   26    0    7 o  209.453  123.168   0.2648   0.4025   0.2648   0.4025   0.2648   0.4025  209.453  123.168  209.453  123.168 0.000000 0.000000 
1 1 1   26    0    8 o  706.486   85.232   2.4521   0.5327   2.4521   0.5327   2.4521   0.5327  706.486   85.232  706.486   85.232 0.000000 0.000000 
1 1 1   26    0    9 o  220.726  126.031   0.3181   0.4023   0.3181   0.4023   0.3181   0.4023  220.726  126.031  220.726  126.031 0.000000 0.000000 
1 1 1   26    0   11 o  387.050  145.632   0.9814   0.4851   0.9814   0.4851   0.9814   0.4851  387.050  145.632  387.050  145.632 0.000000 0.000000 
1 1 1   26    0   12 o  1053.16   79.636   5.3321   0.7616   5.3321   0.7616   5.3321   0.7616  1053.16   79.636  1053.16   79.636 0.000000 0.000000 
1 1 1   26    0   13 o  593.403  122.836   1.9140   0.5919   1.9140   0.5919   1.9140   0.5919  593.403  122.836  593.403  122.836 0.000000 0.000000 
1 1 1   26    0   14 f  129.683   92.669  -0.6836   0.5017  -0.6836   0.5017  -0.6836   0.5017  129.683   92.669  129.683   92.669 0.000000 0.000000 
1 1 1   26    0   15 o  685.968  125.468   2.5835   0.7136   2.5835   0.7136   2.5835   0.7136  685.968  125.468  685.968  125.468 0.000000 0.000000 
1 1 1   26    0   16 o  307.986  182.115   0.8684   0.8886   0.8684   0.8886   0.8684   0.8886  307.986  182.115  307.986  182.115 0.000000 0.000000 
1 1 1   26    2    0 o  1011.33   61.218   4.8690   0.5670   5.2977   0.7334   4.2318   0.8940  1045.22   76.789  910.510  108.868 134.7078 133.2245 
1 1 1   26    2    1 f  1354.24   48.033   8.6075   0.5986   7.9112   0.8381   9.3325   0.8551  1281.44   71.359  1397.55   66.498 -116.1056 97.54005 
1 1 1   26    2    2 o  455.616   87.060   1.0483   0.3517   0.9025   0.4807   1.2161   0.5158  410.425  119.828  476.222  118.254 -65.79724 168.3529 
1 1 1   26    2    3 o  297.068   99.556   0.4323   0.3206   1.1300   0.5084  -0.0282   0.4130  457.358  119.496  230.243  101.149 227.1151 156.5579 
1 1 1   26    2    4 o  766.844   62.222   2.8233   0.4353   2.4815   0.6059   3.1879   0.6257  698.502   96.874  800.334   86.331 -101.8329 129.7598 
1 1 1   26    2    5 o  468.917   93.266   1.1284   0.3883   1.8740   0.6757   0.7609   0.4744  583.619  129.224  377.787  120.786 205.8318 176.8845 
1 1 1   26    2    6 o  1063.70   68.130   5.4622   0.6633   5.8215   1.0055   5.1853   0.8827  1066.34  103.792  1013.59   95.774 52.75208 141.2282 
1 1 1   26    2    7 o  189.747   83.780  -0.0506   0.2867  -0.0858   0.4137  -0.0180   0.3977  222.842   99.385  227.371   99.588 -4.528366 140.6949 
1 1 1   26    2    8 o  927.674   53.657   4.0787   0.4561   4.5084   0.6585   3.6828   0.6322  962.392   74.956  865.857   80.264 96.53577 109.8212 
1 1 1   26    2    9 o  521.667   68.869   1.3283   0.3225   1.3408   0.4533   1.3155   0.4589  508.864  100.377  502.687  102.685 6.176697 143.5956 
1 1 1   26    2   10 o  505.634   77.509   1.2725   0.3491   1.1693   0.4766   1.3919   0.5129  466.356  112.385  509.878  112.345 -43.52222 158.9086 
1 1 1   26    2   11 o  425.279  109.616   0.9825   0.4317   1.3524   0.5098   0.0450   0.8115  497.934  113.751  309.380  138.500 188.5533 179.2245 
1 1 1   26    2   12 o  775.469   79.143   3.0281   0.5568   3.0614   0.6708   2.9543   0.9985  763.214   97.765  678.941  162.073 84.27295 189.2770 
1 1 1   26    2   13 o  252.373  101.158   0.2523   0.3573   0.0647   0.4837   0.4776   0.5302  247.346  109.036  310.330  123.614 -62.98329 164.8305 
1 1 1   26    2   14 o  599.225   81.778   1.9051   0.4391   1.7809   0.6033   2.0451   0.6405  533.262  125.101  573.429  124.916 -40.16705 176.7888 
1 1 1   26    2   15 o  191.504   90.816  -0.2618   0.4298   0.4803   0.8139  -0.5487   0.5061  300.310  136.187  187.195   91.185 113.1144 163.8946 
1 1 1   26    2   16 o  229.740  100.470   0.1937   0.4034   0.1421   0.5815   0.2417   0.5602  243.584  112.199  251.034  113.489 -7.449875 159.5882 
1 1 1   26    4    0 o  418.306  113.264   0.9227   0.4467   1.5500   0.5386  -0.4599   0.7995  545.169  111.131  277.027  128.967 268.1416 170.2426 
1 1 1   26    4    1 o  779.724   77.024   2.9659   0.5454   3.2136   0.6528   2.3931   0.9926  803.993   89.770  635.477  167.410 168.5160 189.9597 
1 1 1   26    4    2 o  283.013  109.446   0.3133   0.4053   0.2072   0.4648   0.6498   0.8275  275.975  113.596  383.848  153.906 -107.8732 191.2880 
1 1 1   26    4    3 o  342.915  114.713   0.5996   0.4256   0.4437   0.4940   1.0488   0.8386  318.652  121.436  435.418  159.767 -116.7656 200.6793 
1 1 1   26    4    4 o  679.026   64.099   2.2228   0.3958   2.1975   0.5633   2.2474   0.5561  657.396   95.949  666.624   93.215 -9.228394 133.7737 
1 1 1   26    4    5 o  428.037   84.780   0.9281   0.3221   0.4865   0.4865   1.2727   0.4298  324.430  121.198  496.573   97.543 -172.1432 155.5754 
1 1 1   26    4    6 o  1011.01   52.471   4.8404   0.4865   5.0231   0.6986   4.6684   0.6777  1014.92   75.348  977.849   75.917 37.07324 106.9607 
1 1 1   26    4    7 o  462.080  120.316   1.1559   0.5166   1.4096   0.6318   0.6441   0.8974  502.963  134.070  387.541  158.483 115.4217 207.5853 
1 1 1   26    4    8 o  991.770   63.691   4.7141   0.5782   5.0443   0.6860   3.9047   1.0741  1019.29   73.640  837.278  144.647 182.0090 162.3136 
1 1 1   26    4    9 o  439.886   86.808   0.9823   0.3389   0.5828   0.4625   1.4456   0.4981  340.871  119.405  525.017  106.732 -184.1463 160.1543 
1 1 1   26    4   10 o  832.211   58.824   3.3179   0.4476   2.8628   0.6054   3.8664   0.6646  753.912   88.980  882.116   82.854 -128.2045 121.5827 
1 1 1   26    4   11 o  256.322   97.688   0.2733   0.3197   0.1490   0.4340   0.4206   0.4726  256.294  107.947  306.249  118.260 -49.95529 160.1188 
1 1 1   26    4   12 o  236.559   95.840   0.1838   0.3245   0.2996   0.4249   0.0217   0.5027  275.036  110.285  250.036  110.638 25.00006 156.2165 
1 1 1   26    4   13 o  333.041  109.172   0.6300   0.3861   0.3670   0.5013   1.0137   0.6055  289.446  118.415  398.637  136.798 -109.1908 180.9306 
1 1 1   26    4   14 o  564.247   99.689   1.8062   0.4987   1.6158   0.8262   1.9153   0.6254  449.541  159.408  549.849  126.272 -100.3086 203.3605 
1 1 1   26    4   15 o  225.056   98.340   0.1360   0.3858  -0.0037   0.5234   0.3020   0.5708  230.755  106.349  267.167  118.076 -36.41270 158.9092 
1 1 1   26    6    0 o  1114.11   50.608   5.8342   0.5188   5.0912   0.7084   6.6939   0.7620  1025.10   75.632  1179.86   70.510 -154.7565 103.4018 
1 1 1   26    6    1 o  485.833   85.144   1.1823   0.3668   1.2507   0.5543   1.1290   0.4892  480.854  124.344  460.632  115.593 20.22241 169.7741 
1 1 1   26    6    2 o  288.530  100.113   0.3943   0.3247   0.8594   0.4776  -0.0055   0.4428  400.945  120.054  241.095  105.353 159.8507 159.7254 
1 1 1   26    6    3 o  411.160  110.111   0.8970   0.4249   0.8690   0.4888   0.9835   0.8595  401.946  121.707  426.936  160.779 -24.99023 201.6493 
1 1 1   26    6    4 o  798.830   72.981   3.1076   0.5305   3.3364   0.6207   2.4874   1.0219  821.243   83.294  638.656  170.646 182.5871 189.8896 
1 1 1   26    6    5 o  380.766  114.548   0.7705   0.4340   0.7759   0.4917   0.7512   0.9236  381.620  123.073  400.636  161.907 -19.01605 203.3734 
1 1 1   26    6    6 o  1111.40   48.612   5.8108   0.4971   6.3622   0.7464   5.3712   0.6665  1146.80   71.087  1054.87   69.042 91.92822 99.09663 
1 1 1   26    6    7 o  694.629   58.770   2.3056   0.3721   1.8295   0.5182   2.8125   0.5347  599.158   97.329  757.598   77.809 -158.4395 124.6082 
1 1 1   26    6    8 o  595.649   79.341   1.7530   0.4240   1.9828   0.7513   1.6456   0.5137  595.013  139.626  564.301  102.713 30.71252 173.3360 
1 1 1   26    6    9 o  621.345   69.815   1.8817   0.3923   1.4965   0.5511   2.2773   0.5585  527.880  116.562  670.657   93.002 -142.7775 149.1173 
1 1 1   26    6   10 o  245.855   97.290   0.2106   0.3264   0.3812   0.4777   0.0612   0.4471  302.345  118.295  248.246  107.183 54.09831 159.6306 
1 1 1   26    6   11 o  463.460   88.197   1.1117   0.3624   1.7010   0.5066   0.4941   0.5186  567.154  100.763  322.142  124.024 245.0120 159.7971 
1 1 1   26    6   12 o  276.000  103.057   0.3631   0.3517   0.0797   0.4817   0.6865   0.5146  251.513  109.895  349.363  125.600 -97.84970 166.8905 
1 1 1   26    6   13 o  243.722  104.553   0.1464   0.4202   1.5238   0.7238  -0.5539   0.5161  469.194  149.102  196.505   94.853 272.6891 176.7160 
1 1 1   26    6   14 o  292.144  108.014   0.4919   0.3845   0.0525   0.5109   1.0655   0.5837  240.700  108.641  389.636  134.284 -148.9357 172.7284 
1 1 1   26    6   15 o  560.437   94.013   1.8344   0.4677   2.0132   0.6347   1.6220   0.6917  534.822  130.191  442.807  146.169 92.01547 195.7419 
1 1 1   26    8    0 o  728.469   62.017   2.5377   0.4118   3.2108   0.6009   1.9420   0.5653  809.237   81.827  616.093  103.380 193.1444 131.8446 
1 1 1   26    8    1 o  713.849   68.937   2.4621   0.4472   2.4100   0.5904   2.5323   0.6849  691.737   95.281  699.755  110.003 -8.017090 145.5303 
1 1 1   26    8    2 o  571.354   74.186   1.5991   0.3808   1.8408   0.5188   1.3169   0.5607  601.552   97.036  492.765  123.815 108.7871 157.3094 
1 1 1   26    8    3 o  442.904   84.027   0.9879   0.3299   0.6233   0.4986   1.2720   0.4400  352.071  123.939  496.171   99.839 -144.1002 159.1502 
1 1 1   26    8    4 o  615.750   64.122   1.8291   0.3580   1.3085   0.5265   2.2769   0.4882  493.590  117.588  679.678   79.572 -186.0878 141.9807 
1 1 1   26    8    5 o  495.380   71.451   1.2036   0.3163   1.1838   0.4968   1.2170   0.4101  470.153  115.643  487.466   94.844 -17.31351 149.5615 
1 1 1   26    8    6 o  551.309   94.461   1.5450   0.4620   1.4320   0.5152   2.0083   1.0431  521.435  110.802  568.102  178.825 -46.66736 210.3700 
1 1 1   26    8    7 o  747.516   57.682   2.6636   0.3937   2.3749   0.5353   3.0037   0.5811  691.164   86.024  780.690   82.120 -89.52673 118.9281 
1 1 1   26    8    8 o  535.188   70.752   1.4008   0.3399   1.1683   0.4739   1.6471   0.4877  468.733  111.496  567.522   96.875 -98.78888 147.7030 
1 1 1   26    8    9 o  405.787  109.985   0.8822   0.4209   1.1708   0.7372   0.7426   0.5127  449.108  150.970  373.202  125.903 75.90579 196.5791 
1 1 1   26    8   10 o  389.479  101.902   0.8100   0.3694   0.6732   0.5167   0.9531   0.5284  356.342  126.089  411.530  126.909 -55.18793 178.8976 
1 1 1   26    8   11 o  1556.64   55.894   11.623   0.8006   9.9588   1.1998   12.958   1.0750  1387.12   94.560  1621.94   72.026 -234.8159 118.8673 
1 1 1   26    8   12 o  693.272   79.806   2.4646   0.4998   2.3443   0.7936   2.5437   0.6435  609.710  143.790  678.982  106.492 -69.27258 178.9302 
1 1 1   26    8   13 o  661.499   78.010   2.2825   0.4657   2.7654   0.6498   1.7725   0.6677  698.716  104.264  517.762  137.748 180.9535 172.7587 
1 1 1   26    8   14 o  235.314  101.714   0.1717   0.4035   0.3225   0.5480  -0.0069   0.5965  271.598  117.960  243.914  112.804 27.68427 163.2157 
1 1 1   26    8   15 o  749.816   79.571   3.1172   0.5406   3.6360   0.6687   2.1380   0.9187  783.997   94.599  447.144  166.642 336.8522 191.6207 
1 1 1   26   10    0 o  343.645   98.776   0.6052   0.3290   1.0149   0.4829   0.2503   0.4494  436.701  117.560  280.915  113.141 155.7856 163.1601 
1 1 1   26   10    1 o  663.545   60.998   2.1078   0.3683   2.1831   0.5337   2.0393   0.5088  660.878   90.114  639.081   88.931 21.79645 126.6066 
1 1 1   26   10    2 o  1590.94   42.490   11.835   0.6220   11.304   0.8971   12.327   0.8632  1539.82   63.316  1612.38   58.180 -72.56494 85.98717 
1 1 1   26   10    3 o  288.730   94.231   0.4091   0.2878   0.4677   0.5039   0.3807   0.3506  324.683  122.909  288.520  103.674 36.16321 160.7948 
1 1 1   26   10    4 o  814.281   51.816   3.1370   0.3862   3.1838   0.6110   3.1059   0.4984  802.909   83.948  802.252   68.162 0.6579590 108.1358 
1 1 1   26   10    5 o  761.492   53.824   2.7500   0.3747   3.6976   0.6056   2.1623   0.4770  871.089   76.326  662.854   79.805 208.2341 110.4287 
1 1 1   26   10    6 o  507.639   74.113   1.2659   0.3360   1.1186   0.4724   1.4166   0.4779  459.324  112.638  523.474  102.891 -64.14929 152.5579 
1 1 1   26   10    8 o  663.752   67.372   2.1372   0.4058   2.2776   0.5388   1.9531   0.6168  672.962   89.209  606.185  114.781 66.77783 145.3713 
1 1 1   26   10    9 o  926.911   55.272   4.0996   0.4693   4.6106   0.6675   3.6002   0.6599  968.543   75.491  847.410   85.814 121.1324 114.2931 
1 1 1   26   10   10 o  530.991  116.607   1.5604   0.5541   0.0000   0.0000   1.5604   0.5541  ?   ?   530.991  116.607 0.000000 116.6070 
1 1 1   26   10   11 o  1166.31   53.767   6.5320   0.5770   6.6070   0.8009   6.4511   0.8321  1147.02   76.315  1127.81   80.717 19.20703 111.0815 
1 1 1   26   10   12 o  866.347   61.522   3.7090   0.4873   3.8876   0.6496   3.4793   0.7367  863.721   82.751  791.868  103.591 71.85284 132.5852 
1 1 1   26   10   13 o  393.531  107.078   0.9332   0.3981   1.0359   0.4831   0.7161   0.7025  401.070  120.895  333.038  138.593 68.03183 183.9114 
1 1 1   26   10   14 f  431.488  112.919   1.2078   0.4535   1.0346   0.5440   1.6025   0.8212  373.747  129.589  414.059  156.865 -40.31116 203.4694 
1 1 1   26   12    0 o  392.950   88.234   0.7828   0.3112   0.7265   0.4383   0.8401   0.4420  373.760  115.641  399.580  114.393 -25.82013 162.6605 
1 1 1   26   12    1 o  299.823   91.114   0.4496   0.2736   1.5308   0.4699  -0.1051   0.3365  549.059   96.525  198.949   89.118 350.1103 131.3742 
1 1 1   26   12    2 o  668.218   54.716   2.1205   0.3335   2.5509   0.5434   1.8605   0.4224  719.157   83.675  616.700   76.046 102.4572 113.0688 
1 1 1   26   12    3 o  193.645   80.001   0.0699   0.2316  -0.9105   0.4457   0.4327   0.2711  164.169   81.081  294.700   90.917 -130.5316 121.8198 
1 1 1   26   12    4 o  713.879   55.588   2.4207   0.3623   2.0793   0.5715   2.6501   0.4684  639.187  100.479  740.746   69.536 -101.5594 122.1940 
1 1 1   26   12    5 o  463.206   69.543   1.0486   0.2873   2.1842   0.4806   0.4175   0.3583  666.609   79.950  298.247  105.057 368.3625 132.0186 
1 1 1   26   12    6 o  484.013   71.881   1.1492   0.3104   1.0002   0.4475   1.2874   0.4310  434.313  111.422  501.197   96.955 -66.88391 147.6998 
1 1 1   26   12    7 o  715.586   59.162   2.4512   0.3861   3.0650   0.5755   1.9489   0.5206  788.335   80.461  619.290   94.337 169.0453 123.9895 
1 1 1   26   12    8 o  299.957  117.608   0.3682   0.4730   0.6482   0.5489  -0.4391   0.9320  355.873  129.457  294.453  137.792 61.41937 189.0659 
1 1 1   26   12    9 o  644.232   72.246   2.0513   0.4209   1.5516   0.5571   2.7159   0.6424  530.329  117.280  721.670   99.377 -191.3403 153.7222 
1 1 1   26   12   10 o  836.632   60.682   3.4054   0.4640   3.4321   0.5579   3.3455   0.8355  829.269   73.887  770.756  121.863 58.51300 142.5129 
1 1 1   26   12   11 o  339.078  118.307   0.6619   0.4538   0.5174   0.6338   0.8138   0.6500  322.596  132.699  364.986  139.250 -42.38992 192.3525 
1 1 1   26   12   12 o  291.875  106.772   0.4743   0.3741   0.1217   0.4308   1.5551   0.7543  238.728  104.129  456.269  152.712 -217.5410 184.8345 
1 1 1   26   12   13 o  523.286   90.750   1.5519   0.4211   1.3286   0.5132   2.0124   0.7370  447.023  121.551  511.913  148.053 -64.88989 191.5576 
1 1 1   26   12   14 o  309.934  116.478   0.6742   0.4507   0.9693   0.5314  -0.0818   0.8506  354.121  127.598  253.350  122.161 100.7713 176.6479 
1 1 1   26   14    0 o  700.174   52.905   2.3180   0.3383   1.5841   0.4699   3.1079   0.4875  561.101   94.370  805.411   66.370 -244.3110 115.3725 
1 1 1   26   14    1 o  648.282   51.314   1.9864   0.3036   1.8265   0.4685   2.1021   0.3986  607.075   86.297  661.255   66.412 -54.18066 108.8932 
1 1 1   26   14    2 o  721.817   47.711   2.4518   0.3151   3.1730   0.5379   2.0750   0.3888  810.169   72.942  657.383   65.130 152.7857 97.78789 
1 1 1   26   14    3 o  1088.73   62.877   5.6495   0.6272   6.1863   0.7056   3.6265   1.3697  1136.27   67.790  762.653  194.554 373.6210 206.0264 
1 1 1   26   14    4 o  1112.22   44.227   5.7870   0.4526   5.4886   0.6803   6.0240   0.6063  1068.25   69.590  1126.31   58.703 -58.06494 91.04268 
1 1 1   26   14    5 o  555.921   66.973   1.4978   0.3357   1.3479   0.5359   1.5946   0.4306  502.132  117.993  565.322   85.452 -63.18997 145.6860 
1 1 1   26   14    6 o  738.999   58.758   2.6115   0.3963   2.7033   0.6150   2.5463   0.5182  731.705   93.476  718.497   79.718 13.20837 122.8521 
1 1 1   26   14    7 o  471.855   81.270   1.1211   0.3401   1.4948   0.4790   0.7410   0.4830  535.119  100.983  371.424  122.125 163.6953 158.4684 
1 1 1   26   14    8 o  220.768   87.340   0.1642   0.2630   0.4037   0.3431  -0.1771   0.4096  288.461  102.677  208.429   95.323 80.03151 140.1043 
1 1 1   26   14    9 f  379.065  111.864   0.8036   0.4170   0.6558   0.4470   1.7928   1.1567  345.171  117.554  489.972  186.038 -144.8015 220.0659 
1 1 1   26   14   10 o  416.914   93.693   0.9440   0.3507   1.0407   0.4191   0.7182   0.6404  428.989  106.634  352.366  137.210 76.62320 173.7745 
1 1 1   26   14   11 o  499.444   93.006   1.3734   0.4117   1.2526   0.4820   1.6993   0.7917  456.026  114.912  477.235  156.320 -21.20828 194.0124 
1 1 1   26   14   12 o  301.007  115.965   0.5509   0.4536   0.7302   0.6368   0.3661   0.6464  327.890  133.725  285.331  125.899 42.55936 183.6653 
1 1 1   26   14   13 o  214.463   95.675   0.0804   0.3837   0.3582   0.4757  -0.4367   0.6491  262.054  111.797  214.719  104.290 47.33461 152.8884 
1 1 1   26   16    0 f  1091.14   55.247   5.6167   0.5529   5.5623   0.5881   6.0299   1.6215  1083.86   59.195  1022.92  178.783 60.94019 188.3275 
1 1 1   26   16    1 o  190.293   85.634  -0.1207   0.3147  -0.1364   0.3289   0.0488   1.0825  192.947   87.119  361.336  160.987 -168.3894 183.0478 
1 1 1   26   16    2 o  512.436   56.252   1.2527   0.2609   1.0864   0.4881   1.3193   0.3087  453.278  116.407  522.787   65.614 -69.50867 133.6252 
1 1 1   26   16    3 o  284.219   82.773   0.4028   0.2296   0.6014   0.4579   0.3361   0.2654  347.125  118.974  267.319   90.584 79.80548 149.5339 
1 1 1   26   16    4 o  280.113   85.162   0.3902   0.2390   0.5604   0.3801   0.2789   0.3073  332.496  108.283  258.919   96.407 73.57684 144.9812 
1 1 1   26   16    5 o  174.340   74.498   0.0138   0.2118   0.0762   0.2847  -0.0635   0.3170  210.506   87.972  197.488   87.601 13.01851 124.1490 
1 1 1   26   16    6 o  626.707   55.673   1.8813   0.3177   1.6158   0.3996   2.3375   0.5239  569.645   78.301  682.164   85.326 -112.5197 115.8085 
1 1 1   26   16    7 o  557.188   60.956   1.5088   0.3074   1.4627   0.3819   1.5937   0.5181  538.898   79.398  544.845  107.164 -5.947449 133.3729 
1 1 1   26   16    8 o  548.301   67.029   1.4891   0.3311   1.1532   0.4009   2.2109   0.5876  464.095   96.990  641.712  102.997 -177.6164 141.4764 
1 1 1   26   16    9 o  399.070   92.745   0.8650   0.3341   0.9655   0.4022   0.6413   0.6001  413.427  105.397  339.281  132.633 74.14536 169.4111 
1 1 1   26   16   10 o  694.846   89.100   2.6009   0.5566   3.3210   0.6223  -0.2756   1.2438  788.019   87.293  305.001  147.233 483.0178 171.1657 
1 1 1   26   16   11 o  1170.76   53.038   6.7476   0.5714   6.8742   0.7148   6.5234   0.9510  1157.34   67.410  1068.91   97.766 88.42859 118.7533 
1 1 1   26   16   12 o  381.809  123.082   1.0431   0.4919   0.8494   0.6854   1.2487   0.7063  327.530  136.645  378.447  144.971 -50.91623 199.2198 
1 1 1   26   18    0 o  652.687  213.741   2.7961   1.4802   0.0000   0.0000   2.7961   1.4802  ?   ?   652.687  213.741 0.000000 213.7408 
1 1 1   26   18    1 o  303.786  137.806  -0.1951   0.8342  -0.9282   1.1566   0.5995   1.2042  309.512  147.410  416.730  177.837 -107.2188 230.9888 
1 1 1   26   18    2 o  421.485   75.458   0.8801   0.2819   0.9633   0.2898  -0.5763   1.2127  442.012   73.871  333.576  156.442 108.4359 173.0059 
1 1 1   26   18    3 o  381.643   78.407   0.7313   0.2661   0.7651   0.2731   0.0944   1.1846  390.455   78.735  368.222  165.883 22.23303 183.6199 
1 1 1   26   18    4 o  502.422   53.821   1.2084   0.2450   0.8620   0.3223   1.6818   0.3768  410.098   88.052  585.750   71.391 -175.6520 113.3567 
1 1 1   26   18    5 o  702.709   46.367   2.3372   0.2981   2.2630   0.3789   2.4578   0.4830  684.626   60.778  704.879   75.656 -20.25330 97.04586 
1 1 1   26   18    6 o  612.911   55.562   1.8104   0.3100   1.6525   0.3743   2.1552   0.5530  576.593   72.120  642.084   96.585 -65.49115 120.5403 
1 1 1   26   18    7 o  355.535   87.439   0.6708   0.2841   0.6738   0.3443   0.6644   0.5027  350.509  101.143  345.356  124.144 5.152832 160.1304 
1 1 1   26   18    8 f  590.287   65.364   1.7397   0.3491   2.0717   0.4448   1.2072   0.5633  634.816   77.769  440.030  130.062 194.7858 151.5398 
1 1 1   26   18    9 o  385.734   94.175   0.8376   0.3314   0.8044   0.4003   0.9098   0.5905  366.068  109.981  369.766  134.314 -3.697632 173.5975 
1 1 1   26   18   10 o  376.048  123.957   0.9603   0.4975   1.0992   0.5321  -0.0070   1.4041  398.186  127.977  305.859  149.611 92.32721 196.8797 
1 1 1   26   18   11 o  852.810   62.373   3.7505   0.4861   3.8174   0.6054   3.6291   0.8153  832.471   80.019  732.990  125.392 99.48016 148.7486 
1 1 1   26   20    0 o  564.031  172.323   1.9188   0.9768   2.0678   1.2380   1.6730   1.5898  567.647  195.563  520.997  211.755 46.64923 288.2450 
1 1 1   26   20    1 o  385.203  159.280   0.6037   0.9194   2.1752   1.3592  -0.7221   1.2484  566.943  204.088  327.694  155.222 239.2485 256.4094 
1 1 1   26   20    2 f  580.354  165.229   2.0618   0.9248   1.3183   1.1878   3.2060   1.4734  468.983  185.586  667.186  212.818 -198.2031 282.3716 
1 1 1   26   20    3 o  378.229  164.775   0.4863   1.0759   0.4863   1.0759   0.0000   0.0000  378.229  164.775  ?   ?  0.000000 164.7754 
1 1 1   26   20    4 o  359.274   63.907   0.6400   0.2035   0.7562   0.2658   0.4754   0.3165  385.368   77.632  303.366   98.812 82.00204 125.6603 
1 1 1   26   20    5 o  355.674   69.761   0.6399   0.2202   0.7427   0.2714   0.4419   0.3766  378.875   80.332  296.594  107.329 82.28165 134.0623 
1 1 1   26   20    6 o  733.495   48.631   2.5810   0.3264   2.6489   0.3929   2.4300   0.5861  736.516   58.459  672.486   97.558 64.03033 113.7323 
1 1 1   26   20    7 o  514.941   66.434   1.3385   0.3074   1.5599   0.3808   0.9236   0.5212  548.017   77.682  383.564  126.887 164.4532 148.7778 
1 1 1   26   20    8 o  531.596   70.527   1.4621   0.3365   1.4399   0.4210   1.5014   0.5598  507.354   93.629  483.586  124.921 23.76822 156.1144 
1 1 1   26   20    9 o  534.208   75.296   1.5272   0.3599   1.5951   0.4541   1.4125   0.5901  522.106   98.116  442.644  133.649 79.46109 165.7971 
1 1 1   26   20   10 o  344.470  107.608   0.7821   0.3785   1.1688   0.4747   0.1073   0.6272  409.950  118.896  247.958  115.023 161.9921 165.4286 
1 1 1   26   22    0 o  435.988  185.139   0.9792   1.2935   0.9792   1.2935   0.0000   0.0000  435.988  185.139  ?   ?  0.000000 185.1388 
1 1 1   26   22    1 o  432.447  183.516   1.0340   1.2696   1.0340   1.2696   0.0000   0.0000  432.447  183.516  ?   ?  0.000000 183.5164 
1 1 1   26   22    2 o  280.802  132.610  -0.4799   0.8985  -0.6577   1.1740  -0.2286   1.3960  307.917  147.163  351.436  165.761 -43.51819 221.6617 
1 1 1   26   22    3 o  599.987  172.159   2.4757   1.0001   2.9085   1.3489   1.9473   1.4903  595.638  204.191  484.754  201.806 110.8837 287.0885 
1 1 1   26   22    4 o  608.641   75.112   1.8800   0.4117   1.9356   0.4292   1.2371   1.4595  615.912   77.438  416.881  186.246 199.0313 201.7034 
1 1 1   26   22    5 o  469.985   65.743   1.1133   0.2765   1.1594   0.2815  -0.1614   1.4811  479.918   65.448  332.473  160.536 147.4454 173.3645 
1 1 1   26   22    6 o  733.796   66.390   2.7272   0.4434   2.6813   0.4615   3.2800   1.6008  723.746   70.177  507.497  210.036 216.2487 221.4492 
1 1 1   26   22    7 o  168.596   79.145  -0.2005   0.3117  -0.1366   0.3200  -1.3843   1.3763  178.105   82.456  264.251  132.406 -86.14528 155.9824 
1 1 1   26   22    8 o  566.340   67.292   1.6817   0.3438   1.3990   0.4313   2.1744   0.5695  481.691  100.554  592.567  108.434 -110.8762 147.8819 
1 1 1   26   22    9 o  336.567  142.341   1.0470   0.7597   1.0470   0.7597   0.0000   0.0000  336.567  142.341  ?   ?  0.000000 142.3407 
1 1 1   26   24    0 o  326.103  149.747   0.0408   1.0250   0.4554   1.3613  -0.5021   1.5577  378.558  173.368  345.609  166.311 32.94891 240.2411 
1 1 1   26   24    1 o  271.709  130.720  -0.6807   0.9611   0.1228   1.3625  -1.4762   1.3558  352.627  165.521  286.963  141.669 65.66440 217.8701 
1 1 1   26   24    2 o  440.353  175.620   1.5146   1.0714   2.3256   1.4181   0.4361   1.6352  493.606  200.222  371.336  176.402 122.2697 266.8455 
1 1 1   26   24    3 o  358.038  159.505   0.7477   1.0624   1.3870   1.4123  -0.0857   1.6125  404.494  181.777  338.560  164.425 65.93448 245.1094 
1 1 1   26   24    4 o  258.174  127.001  -0.9064   1.0571   1.1838   1.4844  -3.0572   1.5057  375.130  175.001  246.784  125.370 128.3463 215.2746 
1 1 1   26   24    5 o  353.437   82.317   0.6911   0.2627   0.7510   0.2668  -1.2289   1.5113  370.109   80.620  277.798  139.129 92.31046 160.7995 
1 1 1   26   24    6 o  395.948   94.098   0.9243   0.3378   0.9674   0.3462   0.0750   1.5370  404.890   94.635  303.054  149.843 101.8360 177.2247 
1 1 1   26   24    7 o  317.545  136.373   0.8122   0.7163   0.8122   0.7163   0.0000   0.0000  317.545  136.373  ?   ?  0.000000 136.3726 
1 1 1   26   26    0 o  396.213  169.493   1.2299   1.0987   1.5975   1.4336   0.7065   1.7104  415.126  185.085  369.418  176.847 45.70865 255.9907 
1 1 1   26   26    1 f  603.901  203.666   3.6594   1.3417   2.9479   1.7399   4.7033   2.1075  466.243  206.097  526.378  229.930 -60.13571 308.7776 
1 1 1   26   26    2 o  314.944  147.151   0.3788   1.0560   1.2920   1.4473  -0.6607   1.5441  371.213  173.049  298.791  148.171 72.42215 227.8169 
1 1 1   26   26    3 o  523.535  193.254   3.1089   1.2297   3.3061   1.6406   2.8560   1.8577  457.084  201.179  410.604  192.906 46.47961 278.7215 
1 1 1   26   26    4 o  272.530  135.541  -0.6184   1.3297  -0.6184   1.3297   0.0000   0.0000  272.530  135.541  ?   ?  0.000000 135.5414 
1 1 1   26   28    0 o  294.233  147.577  -0.8711   1.7306   0.0000   0.0000  -0.8711   1.7306  ?   ?   294.233  147.577 0.000000 147.5772 
1 1 1   27    1    0 f  835.527   70.119   3.3613   0.5341   2.8992   0.6588   4.2470   0.9122  760.913   96.251  911.263  111.090 -150.3495 146.9867 
1 1 1   27    1    1 o  624.113   85.687   1.9321   0.4791   1.2908   0.5803   3.3043   0.8490  487.817  127.769  794.648  119.831 -306.8310 175.1696 
1 1 1   27    1    2 o  700.782   81.924   2.4192   0.5183   2.2304   0.8669   2.5243   0.6466  625.066  152.151  703.236  102.977 -78.16956 183.7236 
1 1 1   27    1    3 f  190.186   87.668  -0.2228   0.3559  -0.4443   0.5766  -0.0864   0.4525  229.805  107.805  233.505  104.054 -3.700409 149.8309 
1 1 1   27    1    4 o  577.400   84.923   1.6633   0.4377   1.2848   0.7527   1.8567   0.5380  473.107  152.239  601.666  100.746 -128.5593 182.5555 
1 1 1   27    1    5 o  568.928   74.976   1.5887   0.3829   2.1220   0.5764   1.1672   0.5124  644.208  100.510  465.554  119.121 178.6539 155.8597 
1 1 1   27    1    6 o  349.219   95.608   0.6282   0.3162   0.6484   0.4478   0.6081   0.4465  355.104  117.632  346.498  117.492 8.606171 166.2575 
1 1 1   27    1    7 o  1333.68   49.542   8.3636   0.6080   7.9827   0.8557   8.7519   0.8641  1285.41   72.640  1348.46   69.877 -63.04810 100.7932 
1 1 1   27    1    8 o  370.933   94.396   0.7098   0.3230   0.1749   0.4571   1.2431   0.4564  269.381  111.924  488.136  104.756 -218.7553 153.2997 
1 1 1   27    1    9 o  357.524   95.118   0.6634   0.3184   0.8798   0.4578   0.4605   0.4431  404.121  116.628  314.655  116.037 89.46643 164.5195 
1 1 1   27    1   10 f  475.135   90.382   1.1611   0.3807   1.0553   0.5288   1.2749   0.5485  434.410  125.351  478.474  123.681 -44.06390 176.0963 
1 1 1   27    1   11 o  1172.63   63.955   6.6775   0.6875   6.1113   0.8037   8.2218   1.3273  1106.03   79.498  1226.23  119.138 -120.2014 143.2267 
1 1 1   27    1   12 o  834.565   74.565   3.5036   0.5666   3.0426   0.6595   4.8023   1.1069  755.854   97.070  893.178  139.222 -137.3240 169.7215 
1 1 1   27    1   13 o  370.619  109.879   0.8105   0.4015   1.0466   0.5509   0.5428   0.5865  403.566  130.278  317.224  128.734 86.34122 183.1529 
1 1 1   27    1   14 o  758.810   78.476   3.0679   0.5400   3.8115   0.7799   2.3830   0.7485  799.780  108.798  584.104  140.892 215.6769 178.0098 
1 1 1   27    1   15 o  342.049  125.256   0.8666   0.5151  -0.0433   0.8073   1.4912   0.6689  255.150  121.970  422.029  143.790 -166.8789 188.5531 
1 1 1   27    3    0 o  892.111   58.741   3.7798   0.4795   3.2691   0.6660   4.3294   0.6909  812.052   90.683  942.528   80.432 -130.4755 121.2132 
1 1 1   27    3    1 o  549.699   79.685   1.4902   0.3913   1.4193   0.5809   1.5491   0.5295  513.695  124.248  545.719  109.252 -32.02386 165.4494 
1 1 1   27    3    2 o  1084.15   53.077   5.5424   0.5295   4.7066   0.7351   6.4437   0.7633  979.678   82.305  1155.19   72.174 -175.5141 109.4680 
1 1 1   27    3    3 o  427.216   96.193   0.9405   0.3690   0.8484   0.5266   1.0295   0.5173  398.194  127.257  436.135  123.370 -37.94107 177.2409 
1 1 1   27    3    4 o  527.723   80.356   1.3821   0.3779   1.5611   0.5608   1.2332   0.5114  542.055  115.939  479.954  116.890 62.10068 164.6360 
1 1 1   27    3    5 o  391.317   99.842   0.7964   0.3607   0.9755   0.6439   0.7145   0.4354  422.127  141.096  369.190  115.427 52.93716 182.2944 
1 1 1   27    3    6 o  587.138   86.357   1.7203   0.4526   2.7531   0.7849   1.2057   0.5540  719.937  122.888  470.866  125.566 249.0712 175.6934 
1 1 1   27    3    7 o  1363.66   58.547   8.8179   0.7346   8.3978   0.8462   10.104   1.4805  1320.89   69.868  1396.76  116.247 -75.87476 135.6273 
1 1 1   27    3    8 o  169.237   80.517  -0.3857   0.3432  -0.1607   0.4024  -0.9861   0.6573  211.125   95.748  213.131  103.842 -2.006165 141.2469 
1 1 1   27    3    9 o  764.271   59.211   2.7968   0.4132   2.9295   0.5981   2.6757   0.5714  766.023   86.362  731.651   86.546 34.37256 122.2642 
1 1 1   27    3   10 o  319.642  101.811   0.5295   0.3373   0.1603   0.4411   1.0491   0.5234  260.517  109.230  432.920  124.637 -172.4033 165.7273 
1 1 1   27    3   11 o  458.972   89.600   1.0985   0.3648   1.0400   0.5340   1.1496   0.4996  424.147  126.937  451.163  118.729 -27.01642 173.8084 
1 1 1   27    3   12 o  251.171  101.953   0.2299   0.3680   0.2436   0.5112   0.2151   0.5300  276.168  116.782  275.210  117.726 0.9582214 165.8239 
1 1 1   27    3   13 o  671.099   77.767   2.3413   0.4713   2.8416   0.6695   1.8497   0.6637  707.555  106.097  535.529  134.784 172.0262 171.5322 
1 1 1   27    3   14 o  498.419  117.347   1.5738   0.5293   0.7112   0.8050   2.2306   0.7024  325.882  142.234  569.621  135.912 -243.7386 196.7300 
1 1 1   27    3   15 o  414.664  115.227   1.1639   0.4555   1.6874   0.6470   0.6495   0.6413  461.145  140.103  301.821  129.312 159.3238 190.6576 
1 1 1   27    5    0 o  1252.84   62.019   7.4494   0.7150   7.0981   0.8473   8.3177   1.3321  1211.35   76.411  1273.83  114.884 -62.48694 137.9747 
1 1 1   27    5    1 o  889.359   73.545   3.8288   0.5965   4.7091   0.7402   2.1983   1.0073  980.564   82.806  605.688  172.451 374.8762 191.3015 
1 1 1   27    5    2 o  1282.79   60.787   7.8179   0.7175   7.8980   0.8435   7.6081   1.3648  1279.55   71.932  1201.52  125.289 78.02856 144.4694 
1 1 1   27    5    3 o  711.941   85.360   2.5128   0.5480   2.0782   0.6257   3.9446   1.1358  630.903  111.878  835.305  153.426 -204.4020 189.8852 
1 1 1   27    5    4 o  655.002   68.103   2.0762   0.4045   1.7905   0.5844   2.3389   0.5604  583.776  112.867  682.834   91.489 -99.05847 145.2901 
1 1 1   27    5    5 o  236.560   93.877   0.1779   0.3047  -0.2144   0.4659   0.4711   0.4028  222.953  101.850  314.352  111.325 -91.39883 150.8866 
1 1 1   27    5    6 o  249.228   95.420   0.2356   0.3059   0.4045   0.4717   0.1130   0.4018  310.149  118.558  248.393  104.200 61.75648 157.8409 
1 1 1   27    5    7 o  672.814   70.376   2.1952   0.4293   2.2678   0.8056   2.1664   0.5072  638.859  140.839  660.564   85.456 -21.70551 164.7372 
1 1 1   27    5    8 o  483.683   82.797   1.1714   0.3553   1.7347   0.5379   0.7357   0.4731  578.288  104.958  373.608  120.742 204.6801 159.9836 
1 1 1   27    5    9 o  666.061   68.767   2.1598   0.4154   3.2122   0.6292   1.3466   0.5531  801.452   86.699  495.537  122.088 305.9155 149.7404 
1 1 1   27    5   10 o  991.848   55.938   4.7054   0.5084   4.3607   0.7001   5.0901   0.7396  934.389   82.270  1011.97   80.076 -77.58466 114.8069 
1 1 1   27    5   11 o  176.651   82.226  -0.2254   0.3248  -0.0637   0.4518  -0.3984   0.4674  229.869  103.092  201.008   95.144 28.86143 140.2867 
1 1 1   27    5   12 o  341.985  110.549   0.6646   0.3966   0.6881   0.5507   0.6393   0.5716  345.550  128.971  338.065  130.193 7.484222 183.2581 
1 1 1   27    5   13 o  280.253  112.986   0.3841   0.4486   1.5181   0.7236  -0.3240   0.5718  456.854  149.434  221.646  105.006 235.2079 182.6383 
1 1 1   27    5   14 o  403.778  115.518   1.0603   0.4509   0.5492   0.6087   1.6818   0.6712  300.942  127.350  472.332  142.527 -171.3899 191.1331 
1 1 1   27    5   15 o  252.414  109.495   0.3082   0.4710   0.3230   0.5725   0.2772   0.8286  261.352  116.711  272.324  128.221 -10.97205 173.3840 
1 1 1   27    7    0 o  253.332  102.398   0.1822   0.3695   0.1177   0.5176   0.2492   0.5277  275.520  117.060  295.644  121.284 -20.12390 168.5609 
1 1 1   27    7    1 o  731.589   65.056   2.5689   0.4334   2.6619   0.6356   2.4881   0.5924  726.937   97.479  704.779   93.672 22.15814 135.1912 
1 1 1   27    7    2 o  686.314   65.045   2.2649   0.4059   2.0572   0.5939   2.4468   0.5559  632.317  105.818  701.535   88.061 -69.21808 137.6665 
1 1 1   27    7    3 o  1281.34   48.518   7.7112   0.5721   6.8895   0.8184   8.4962   0.7999  1192.40   74.971  1334.09   65.163 -141.6865 99.33212 
1 1 1   27    7    4 o  913.969   70.198   4.0317   0.5859   3.7731   0.6594   5.0011   1.2765  876.116   82.776  945.152  151.926 -69.03619 173.0129 
1 1 1   27    7    5 o  437.927  113.260   1.0162   0.4598   0.7026   0.5130   2.2964   1.0366  369.837  125.934  615.338  174.848 -245.5012 215.4786 
1 1 1   27    7    6 o  405.791   91.074   0.8401   0.3317   0.7851   0.5075   0.8812   0.4383  386.186  125.077  408.306  112.888 -22.11957 168.4870 
1 1 1   27    7    7 o  766.820   57.253   2.7996   0.4011   3.0359   0.5919   2.5990   0.5453  784.503   83.272  725.390   83.203 59.11359 117.7158 
1 1 1   27    7    8 o  393.526  107.725   0.8200   0.4015   1.3130   0.7056   0.5839   0.4882  477.988  146.528  342.910  122.436 135.0779 190.9481 
1 1 1   27    7    9 o  654.678   77.907   2.1244   0.4601   4.2506   0.9524   1.4772   0.5255  890.916  119.165  524.564  112.260 366.3525 163.7149 
1 1 1   27    7   10 o  152.818   73.374  -0.3826   0.2994  -0.3769   0.4103  -0.3890   0.4377  188.631   89.244  195.256   92.317 -6.625092 128.4014 
1 1 1   27    7   11 o  371.814  117.804   0.7889   0.4521   0.3628   0.7265   1.0582   0.5775  319.781  137.336  418.684  133.201 -98.90222 191.3210 
1 1 1   27    7   12 o  212.025   95.599  -0.0584   0.3944   0.6371   0.7053  -0.3750   0.4758  339.051  139.785  200.711   95.290 138.3400 169.1748 
1 1 1   27    7   13 o  644.749   78.684   2.1992   0.4571   2.2495   0.6173   2.1381   0.6802  611.969  113.813  572.117  131.908 39.85168 174.2213 
1 1 1   27    7   14 o  784.235   78.334   3.3370   0.5577   4.3365   0.7843   2.3145   0.7933  852.164  102.047  534.770  153.295 317.3938 184.1546 
1 1 1   27    9    0 o  527.683   81.954   1.3772   0.3850   1.1187   0.5267   1.6739   0.5643  457.473  122.623  567.305  112.067 -109.8319 166.1189 
1 1 1   27    9    1 o  526.937   88.585   1.3907   0.4143   1.2628   0.5528   1.5546   0.6257  484.932  123.537  536.231  128.498 -51.29892 178.2500 
1 1 1   27    9    2 o  849.771   58.814   3.4351   0.4571   4.1325   0.6557   2.7761   0.6374  921.281   78.086  743.881   95.314 177.3996 123.2164 
1 1 1   27    9    3 o  654.987   63.291   2.0586   0.3767   2.1252   0.6107   2.0177   0.4786  642.541  107.064  639.004   83.378 3.536682 135.7010 
1 1 1   27    9    4 o  403.889   89.208   0.8285   0.3227   1.3073   0.5701   0.6028   0.3914  491.995  125.527  343.991  109.685 148.0036 166.6968 
1 1 1   27    9    5 o  218.183   88.636   0.1191   0.2784   0.5663   0.4838  -0.1022   0.3403  342.079  121.911  200.549   89.743 141.5305 151.3808 
1 1 1   27    9    6 o  519.641  100.626   1.3880   0.4638   1.1837   0.5121   2.3200   1.0937  470.450  118.386  612.301  181.302 -141.8512 216.5312 
1 1 1   27    9    7 o  348.787  100.431   0.6301   0.3398   0.1269   0.4607   1.2307   0.5033  262.917  110.999  479.883  115.391 -216.9657 160.1116 
1 1 1   27    9    8 o  715.648   65.290   2.4768   0.4252   2.9001   0.5988   2.0461   0.6039  761.120   87.063  623.751  109.203 137.3685 139.6611 
1 1 1   27    9    9 o  341.852  110.614   0.6190   0.3970   1.8715   0.7901   0.1961   0.4591  557.520  150.507  268.884  111.980 288.6369 187.5947 
1 1 1   27    9   10 o  518.028  122.576   1.5287   0.5752   0.0000   0.0000   1.5287   0.5752  ?   ?   518.028  122.576 0.000000 122.5762 
1 1 1   27    9   11 o  771.622   67.100   2.9582   0.4717   3.1838   0.6536   2.7129   0.6814  774.985   93.541  698.545  109.619 76.43939 144.1051 
1 1 1   27    9   12 o  154.328   75.117  -0.4880   0.3415  -0.7606   0.4702  -0.1836   0.4969  171.739   84.524  219.524  102.022 -47.78523 132.4875 
1 1 1   27    9   13 o  447.065  107.025   1.2157   0.4344   0.6598   0.5531   2.1110   0.7019  318.659  126.468  547.938  138.995 -229.2788 187.9196 
1 1 1   27    9   14 o  420.612  120.135   1.2311   0.4881   1.6526   0.5974   0.3853   0.8463  472.573  132.200  283.890  132.337 188.6833 187.0557 
1 1 1   27   11    0 o  786.503   58.373   2.9374   0.4194   2.2050   0.5532   3.9280   0.6433  664.852   92.963  899.375   78.525 -234.5223 121.6892 
1 1 1   27   11    1 o  333.216   97.568   0.5637   0.3183   0.5402   0.4903   0.5808   0.4185  338.841  122.494  341.238  113.744 -2.397430 167.1603 
1 1 1   27   11    2 f  1729.49   42.252   13.963   0.6724   15.465   1.0287   12.843   0.8884  1805.27   61.930  1647.75   58.596 157.5155 85.25736 
1 1 1   27   11    3 o  468.551   75.612   1.0800   0.3149   1.2091   0.5586   1.0199   0.3813  473.992  125.928  447.102   95.570 26.89041 158.0869 
1 1 1   27   11    4 o  883.246   51.171   3.6786   0.4141   3.9020   0.6692   3.5399   0.5272  892.990   82.366  858.868   67.241 34.12250 106.3271 
1 1 1   27   11    5 o  203.709   85.265   0.0615   0.2681   0.0265   0.4473   0.0811   0.3349  247.148  106.957  226.644   95.108 20.50471 143.1273 
1 1 1   27   11    6 o  1072.37   53.507   5.4287   0.5280   5.0607   0.7093   5.8859   0.7906  1019.84   76.137  1098.14   78.769 -78.29987 109.5507 
1 1 1   27   11    7 o  945.392   68.788   4.3248   0.5943   4.3722   0.6639   4.1336   1.3332  944.763   77.040  814.377  182.436 130.3862 198.0351 
1 1 1   27   11    8 o  1269.52   74.356   7.8934   0.8648   7.7191   1.0274   8.3172   1.6019  1237.16   90.886  1203.40  147.771 33.76111 173.4838 
1 1 1   27   11    9 o  389.280  110.179   0.8335   0.4125   1.8980   0.6942   0.2527   0.5128  571.183  134.335  283.977  118.311 287.2060 179.0060 
1 1 1   27   11   10 o  672.086   89.603   2.3577   0.5403   0.9985   0.9164   3.0822   0.6690  398.937  161.255  761.251   97.765 -362.3140 188.5771 
1 1 1   27   11   11 o  658.471   70.004   2.1938   0.4177   2.2833   0.5578   2.0796   0.6301  647.027   96.644  593.299  119.557 53.72894 153.7337 
1 1 1   27   11   12 o  185.613   86.076  -0.1566   0.3508  -0.1492   0.4182  -0.1741   0.6443  202.895   94.053  242.042  113.680 -39.14697 147.5441 
1 1 1   27   11   13 o  577.141   92.182   1.9154   0.4731   2.2599   0.5693   1.1466   0.8504  609.997  105.226  356.997  150.772 252.9998 183.8599 
1 1 1   27   13    0 f  540.380   70.051   1.4133   0.3401   1.6030   0.4989   1.2486   0.4649  562.824   99.996  492.765  105.702 70.05927 145.5061 
1 1 1   27   13    1 o  893.346   48.714   3.7489   0.3989   4.6230   0.6303   3.1648   0.5153  981.814   70.233  811.792   69.654 170.0220 98.91581 
1 1 1   27   13    2 o  1323.05   42.352   8.1663   0.5156   10.214   0.8472   6.9613   0.6498  1467.63   62.732  1214.13   58.165 253.4995 85.54797 
1 1 1   27   13    3 o  1481.15   60.228   10.388   0.8209   11.229   0.9411   7.7141   1.6783  1535.06   66.626  1176.17  159.160 358.8967 172.5429 
1 1 1   27   13    4 o  560.128   61.649   1.5057   0.3125   1.3503   0.5093   1.5995   0.3958  507.455  112.056  571.059   77.301 -63.60382 136.1321 
1 1 1   27   13    5 o  534.121   71.058   1.3925   0.3406   1.2126   0.5256   1.5227   0.4472  474.792  120.189  549.121   91.731 -74.32846 151.1952 
1 1 1   27   13    6 o  328.861   98.990   0.5571   0.3241   1.1081   0.5523   0.2677   0.4002  447.983  127.743  272.600  107.773 175.3831 167.1327 
1 1 1   27   13    7 o  788.581   62.179   2.9983   0.4475   2.7732   0.6827   3.1679   0.5926  728.998  104.786  797.709   81.896 -68.71027 132.9926 
1 1 1   27   13    8 o  670.841   83.512   2.2759   0.5043   2.4362   0.5553   1.5205   1.2052  689.817   89.600  471.242  186.795 218.5747 207.1726 
1 1 1   27   13    9 o  618.951   86.210   1.9801   0.4777   1.9401   0.5185   2.2047   1.2281  604.627   96.434  524.888  193.235 79.73834 215.9614 
1 1 1   27   13   10 f  488.583   83.490   1.2557   0.3619   0.9370   0.4195   2.1830   0.7155  402.084  110.132  594.090  134.068 -192.0057 173.5034 
1 1 1   27   13   11 o  279.980  114.808   0.3760   0.4726   0.3046   0.6523   0.4549   0.6855  287.870  126.774  306.434  132.512 -18.56436 183.3880 
1 1 1   27   13   12 f  237.406  100.409   0.2184   0.3780   0.5536   0.4698  -0.3975   0.6368  298.556  117.165  220.195  106.055 78.36156 158.0363 
1 1 1   27   13   13 o  263.024  106.980   0.4038   0.4061   0.1703   0.4697   1.0953   0.8083  236.000  105.531  340.857  145.586 -104.8577 179.8107 
1 1 1   27   15    0 o  629.052   57.250   1.8779   0.3278   1.5427   0.4730   2.1875   0.4546  554.309   96.229  672.450   74.727 -118.1412 121.8361 
1 1 1   27   15    1 o  1535.18   38.478   10.964   0.5435   11.318   0.8227   10.690   0.7240  1549.09   57.719  1508.91   52.148 40.18311 77.78783 
1 1 1   27   15    2 o  864.213   46.827   3.5055   0.3710   4.4733   0.6923   3.1157   0.4394  959.792   79.095  809.701   59.389 150.0906 98.90978 
1 1 1   27   15    3 o  153.348   69.600  -0.1096   0.2131  -0.2445   0.4759  -0.0758   0.2384  223.289  102.349  169.053   75.417 54.23544 127.1339 
1 1 1   27   15    4 o  289.202   92.476   0.4132   0.2781   0.7964   0.5126   0.2534   0.3310  387.632  125.723  257.817   99.133 129.8155 160.1051 
1 1 1   27   15    5 o  218.216   89.087   0.1188   0.2830  -0.0551   0.4419   0.2397   0.3684  233.566  103.525  261.306  103.371 -27.73976 146.2976 
1 1 1   27   15    6 f  548.323   66.665   1.4691   0.3294   1.0919   0.4468   1.9185   0.4877  450.586  108.954  614.852   88.772 -164.2651 140.5395 
1 1 1   27   15    7 o  961.897   47.247   4.3770   0.4182   4.4575   0.5459   4.2627   0.6506  959.419   62.168  925.937   77.060 33.48169 99.01090 
1 1 1   27   15    8 o  482.043   75.566   1.1794   0.3242   1.3563   0.4112   0.8890   0.5268  507.267   91.466  389.130  127.519 118.1367 156.9301 
1 1 1   27   15    9 o  410.710  122.025   1.0193   0.4948   1.0193   0.4948   0.0000   0.0000  410.710  122.025  ?   ?  0.000000 122.0248 
1 1 1   27   15   10 o  241.965   98.209   0.2383   0.3414   0.2962   0.4293   0.1387   0.5631  263.780  108.938  261.167  116.254 2.612549 159.3185 
1 1 1   27   15   11 o  231.129   98.619   0.1798   0.3702   0.2276   0.4551   0.0861   0.6366  249.758  107.987  256.481  117.865 -6.722549 159.8540 
1 1 1   27   15   12 f  203.235   95.525  -0.1462   0.4564   0.5642   0.6802  -0.7280   0.6155  293.205  129.272  194.022   95.723 99.18320 160.8544 
1 1 1   27   17    0 o  969.305   61.258   4.4612   0.5436   4.9359   0.5908   1.8424   1.3876  1018.67   63.340  550.596  204.881 468.0771 214.4484 
1 1 1   27   17    1 o  1238.51   56.398   7.2377   0.6427   7.4949   0.7059   5.9907   1.5544  1257.66   60.998  1021.80  171.393 235.8516 181.9235 
1 1 1   27   17    2 o  479.740   57.838   1.1037   0.2502   0.8022   0.4180   1.2720   0.3123  390.873  111.010  511.757   68.003 -120.8835 130.1829 
1 1 1   27   17    3 o  246.256   81.778   0.2873   0.2164   0.1671   0.3376   0.3711   0.2819  241.827   97.834  277.703   93.358 -35.87665 135.2305 
1 1 1   27   17    4 o  403.466   70.120   0.8060   0.2509   1.0174   0.3544   0.5937   0.3552  445.727   89.523  337.728  104.032 107.9986 137.2478 
1 1 1   27   17    5 o  205.284   82.954   0.1167   0.2424   0.1922   0.3184   0.0126   0.3740  239.884   95.718  223.215   97.197 16.66858 136.4154 
1 1 1   27   17    6 o  768.238   51.706   2.8223   0.3634   2.3653   0.4336   3.9007   0.6661  692.880   68.922  878.504   83.404 -185.6243 108.1966 
1 1 1   27   17    7 o  455.496   75.214   1.0570   0.3042   0.8688   0.3800   1.3928   0.5077  396.119  103.222  496.191  113.640 -100.0719 153.5219 
1 1 1   27   17    8 o  661.384   60.031   2.1574   0.3614   1.8837   0.4454   2.6844   0.6180  600.165   82.871  701.593   98.434 -101.4279 128.6730 
1 1 1   27   17    9 o  866.372   55.222   3.6928   0.4379   3.8584   0.5498   3.4053   0.7245  869.841   69.261  771.440  104.767 98.40100 125.5916 
1 1 1   27   17   10 o  438.262  122.975   1.2850   0.5161   1.3962   0.5595   0.6498   1.3374  449.922  128.664  327.210  156.572 122.7113 202.6553 
1 1 1   27   17   11 o  224.947   96.772   0.1821   0.3618   0.0406   0.4438   0.4624   0.6246  219.501   99.936  281.659  124.046 -62.15822 159.2938 
1 1 1   27   19    0 o  953.805  136.339   4.8995   1.1625   5.8005   1.6127   3.9250   1.6773  982.768  185.129  750.863  225.021 231.9048 291.3888 
1 1 1   27   19    1 o  592.057  164.351   2.0912   0.9271   5.2225   1.5252   0.2565   1.1675  922.185  186.158  379.336  168.196 542.8487 250.8878 
1 1 1   27   19    2 o  554.628  177.636   1.9542   1.0257   3.2761   1.3392   0.0777   1.5955  697.905  198.882  400.787  185.049 297.1175 271.6564 
1 1 1   27   19    3 o  281.696   88.075   0.3999   0.2535   0.3999   0.2535   0.0000   0.0000  281.696   88.075  ?   ?  0.000000 88.07509 
1 1 1   27   19    4 o  360.991   70.626   0.6552   0.2262   0.4484   0.2997   0.9290   0.3448  295.704   96.148  421.205   91.570 -125.5016 132.7764 
1 1 1   27   19    5 o  311.192   80.282   0.5038   0.2314   0.4291   0.2901   0.6345   0.3837  288.018   94.639  340.421  108.606 -52.40298 144.0551 
1 1 1   27   19    6 o  801.077   48.048   3.0742   0.3525   3.1417   0.4439   2.9589   0.5802  800.550   60.711  755.312   84.951 45.23804 104.4144 
1 1 1   27   19    7 o  526.527   66.619   1.4001   0.3155   1.2666   0.3877   1.6622   0.5432  483.180   90.518  532.160  114.332 -48.97977 145.8269 
1 1 1   27   19    8 o  494.325   75.262   1.2866   0.3315   1.6610   0.4336   0.7597   0.5144  550.031   88.685  342.492  125.215 207.5389 153.4402 
1 1 1   27   19    9 o  819.349   58.319   3.3839   0.4368   3.3922   0.5400   3.3684   0.7429  799.305   74.276  737.359  113.102 61.94519 135.3105 
1 1 1   27   19   10 o  309.828  151.292   0.7288   1.4176   0.0000   0.0000   0.7288   1.4176  ?   ?   309.828  151.292 0.000000 151.2916 
1 1 1   27   21    0 f  479.724  189.844   1.4362   1.2430   1.4362   1.2430   0.0000   0.0000  479.724  189.844  ?   ?  0.000000 189.8438 
1 1 1   27   21    1 o  577.559  208.062   2.5148   1.4128   2.5148   1.4128   0.0000   0.0000  577.559  208.062  ?   ?  0.000000 208.0619 
1 1 1   27   21    2 o  285.841  133.513  -0.3409   0.8683   0.7323   1.0876  -2.2273   1.4419  392.599  168.308  283.402  140.980 109.1973 219.5517 
1 1 1   27   21    3 o  280.785  131.898  -0.3567   0.8680  -0.0850   1.0888  -0.8306   1.4378  324.998  151.031  323.262  156.589 1.735840 217.5560 
1 1 1   27   21    4 o  246.887   87.246   0.2957   0.2473   0.2907   0.2511   0.4584   1.4282  245.997   87.807  371.668  172.806 -125.6713 193.8347 
1 1 1   27   21    5 o  256.622   82.328   0.3431   0.2203   0.3418   0.2848   0.3450   0.3475  260.309   93.449  267.291  101.854 -6.982544 138.2279 
1 1 1   27   21    6 o  364.825   76.627   0.7075   0.2491   1.0209   0.3123   0.1603   0.4127  437.247   80.595  240.842  103.479 196.4053 131.1618 
1 1 1   27   21    7 o  188.304   80.828   0.0644   0.2514   0.4006   0.3098  -0.5845   0.4303  268.494   97.316  169.436   82.868 99.05785 127.8184 
1 1 1   27   21    8 o  482.299   78.478   1.2738   0.3363   1.4889   0.4260   0.9179   0.5480  503.839   95.374  352.106  129.157 151.7332 160.5541 
1 1 1   27   23    0 o  250.899  122.340  -1.0748   0.9176  -0.1670   1.1523  -2.6480   1.5169  328.446  153.545  277.571  139.070 50.87509 207.1626 
1 1 1   27   23    1 o  349.685  156.944   0.3868   1.0491   0.0842   1.4534   0.7161   1.5160  359.650  169.482  395.560  181.816 -35.90991 248.5581 
1 1 1   27   23    2 o  442.197  175.701   1.4935   1.0687   2.0363   1.4996   0.9334   1.5234  469.004  199.255  396.172  182.157 72.83194 269.9699 
1 1 1   27   23    3 o  271.765  131.306  -0.6038   0.9948  -1.4084   1.3101   0.4918   1.5288  275.032  136.405  361.381  171.350 -86.34918 219.0140 
1 1 1   27   23    4 o  288.020  138.246  -0.2596   1.0607   0.1228   1.3624  -0.8481   1.6903  325.542  156.367  310.146  154.009 15.39676 219.4751 
1 1 1   27   23    5 o  326.885   87.890   0.6042   0.2701   0.6521   0.2744  -0.8661   1.5210  340.261   87.243  289.619  144.191 50.64203 168.5302 
1 1 1   27   23    6 o  184.507   81.857   0.0112   0.2769   0.0426   0.2819  -0.8581   1.4833  190.699   83.674  277.619  138.862 -86.92030 162.1231 
1 1 1   27   25    0 o  321.583  151.302   0.0750   1.1498   0.7541   1.5494  -0.7577   1.7156  374.479  176.010  325.532  160.454 48.94778 238.1705 
1 1 1   27   25    1 o  647.537  194.542   3.6881   1.2526   5.2355   1.7952   2.2201   1.7485  654.360  234.656  433.242  197.679 221.1171 306.8232 
1 1 1   27   25    2 o  387.502  168.424   1.3233   1.1188   1.1895   1.4751   1.5046   1.7165  371.881  173.810  383.846  181.875 -11.96487 251.5717 
1 1 1   27   25    3 o  275.279  134.024  -0.3690   1.0894  -0.4947   1.4821  -0.2213   1.6066  295.664  146.360  309.088  152.894 -13.42346 211.6549 
1 1 1   27   25    4 o  292.349  139.385   0.2221   1.0399   1.7168   1.3920  -1.6659   1.5645  372.887  172.405  263.968  133.394 108.9188 217.9852 
1 1 1   27   27    0 o  463.144  216.757   4.7181   2.3074   0.0000   0.0000   4.7181   2.3074  ?   ?   463.144  216.757 0.000000 216.7574 
1 1 1   28    0    0 o  388.367  190.688   1.1848   0.8108   1.1848   0.8108   1.1848   0.8108  388.367  190.688  388.367  190.688 0.000000 0.000000 
1 1 1   28    0    1 o  158.867  111.750  -0.6250   0.6362  -0.6250   0.6362  -0.6250   0.6362  158.867  111.750  158.867  111.750 0.000000 0.000000 
1 1 1   28    0    2 o  535.208  144.792   1.6672   0.6163   1.6672   0.6163   1.6672   0.6163  535.208  144.792  535.208  144.792 0.000000 0.000000 
1 1 1   28    0    3 o  167.153  112.149  -0.1404   0.4848  -0.1404   0.4848  -0.1404   0.4848  167.153  112.149  167.153  112.149 0.000000 0.000000 
1 1 1   28    0    4 o  248.805  139.738   0.4311   0.4838   0.4311   0.4838   0.4311   0.4838  248.805  139.738  248.805  139.738 0.000000 0.000000 
1 1 1   28    0    5 o  145.209   99.880  -0.2809   0.4373  -0.2809   0.4373  -0.2809   0.4373  145.209   99.880  145.209   99.880 0.000000 0.000000 
1 1 1   28    0    6 o  232.424  134.824   0.3449   0.4716   0.3449   0.4716   0.3449   0.4716  232.424  134.824  232.424  134.824 0.000000 0.000000 
1 1 1   28    0    7 o  283.596  146.610   0.5873   0.4922   0.5873   0.4922   0.5873   0.4922  283.596  146.610  283.596  146.610 0.000000 0.000000 
1 1 1   28    0    8 o  238.517  136.157   0.3790   0.4694   0.3790   0.4694   0.3790   0.4694  238.517  136.157  238.517  136.157 0.000000 0.000000 
1 1 1   28    0    9 o  424.433  150.910   1.1546   0.5370   1.1546   0.5370   1.1546   0.5370  424.433  150.910  424.433  150.910 0.000000 0.000000 
1 1 1   28    0   10 o  1125.41   76.525   6.0537   0.7841   6.0537   0.7841   6.0537   0.7841  1125.41   76.525  1125.41   76.525 0.000000 0.000000 
1 1 1   28    0   11 o  759.575  167.729   3.2971   1.0254   3.2971   1.0254   3.2971   1.0254  759.575  167.729  759.575  167.729 0.000000 0.000000 
1 1 1   28    0   12 o  284.291  175.462   0.5286   0.9006   0.5286   0.9006   0.5286   0.9006  284.291  175.462  284.291  175.462 0.000000 0.000000 
1 1 1   28    0   13 o  196.886  129.350   0.0251   0.5911   0.0251   0.5911   0.0251   0.5911  196.886  129.350  196.886  129.350 0.000000 0.000000 
1 1 1   28    0   14 o  733.641  126.271   2.9588   0.7766   2.9588   0.7766   2.9588   0.7766  733.641  126.271  733.641  126.271 0.000000 0.000000 
1 1 1   28    2    0 o  804.829   65.426   3.0991   0.4803   4.6014   0.7383   1.9963   0.6325  970.697   83.465  619.772  115.149 350.9250 142.2176 
1 1 1   28    2    1 o  452.742   97.673   1.0492   0.3950   0.3795   0.5700   1.6676   0.5477  321.604  128.152  567.881  108.783 -246.2770 168.0972 
1 1 1   28    2    2 f  1185.77   56.008   6.6400   0.6111   6.5285   0.8837   6.7423   0.8460  1155.07   83.710  1178.14   78.488 -23.06665 114.7508 
1 1 1   28    2    3 o  548.061   96.787   1.5258   0.4703   3.5333   0.8932   0.7560   0.5531  820.202  122.074  382.451  130.756 437.7510 178.8832 
1 1 1   28    2    4 o  537.152   94.347   1.4606   0.4493   0.5540   0.7370   1.9968   0.5668  365.422  145.687  625.593  101.978 -260.1712 177.8320 
1 1 1   28    2    5 o  503.319   84.334   1.2626   0.3768   0.9594   0.5334   1.5647   0.5323  422.721  126.934  548.679  109.270 -125.9583 167.4883 
1 1 1   28    2    6 o  882.143   59.535   3.7030   0.4804   3.5591   0.6757   3.8502   0.6832  848.572   87.812  884.771   84.959 -36.19946 122.1840 
1 1 1   28    2    7 o  536.668   93.702   1.4594   0.4459   1.1988   0.5027   2.4214   0.9657  474.496  116.083  642.599  163.056 -168.1025 200.1563 
1 1 1   28    2    8 o  266.780  106.294   0.2416   0.3921   0.0643   0.4413   0.9064   0.8546  249.460  107.086  415.812  159.425 -166.3515 192.0514 
1 1 1   28    2    9 o  393.453   99.047   0.8149   0.3583   0.7701   0.5082   0.8593   0.5054  377.578  125.315  395.798  124.459 -18.22006 176.6178 
1 1 1   28    2   10 o  1016.13   56.665   4.9530   0.5277   4.8677   0.7380   5.0423   0.7549  985.614   82.117  1002.80   82.545 -17.18774 116.4342 
1 1 1   28    2   11 o  280.611  104.235   0.3797   0.3589   0.2171   0.4892   0.5690   0.5280  271.269  114.449  329.744  125.577 -58.47488 169.9062 
1 1 1   28    2   12 o  588.275   80.915   1.8039   0.4264   1.8493   0.6086   1.7601   0.5976  556.153  122.261  541.522  122.760 14.63019 173.2566 
1 1 1   28    2   13 o  472.214  102.713   1.3019   0.4336   1.1262   0.5770   1.5299   0.6573  403.281  133.513  463.130  141.324 -59.84833 194.4181 
1 1 1   28    2   14 o  370.250  129.750   1.0184   0.5461  -0.6096   0.9155   1.9175   0.6804  241.196  118.559  503.211  141.188 -262.0156 184.3640 
1 1 1   28    4    0 o  647.951   78.608   2.0505   0.4591   2.0057   0.6193   2.1052   0.6840  623.068  112.143  632.687  121.909 -9.617920 165.6434 
1 1 1   28    4    1 o  313.886  108.305   0.4721   0.3798   1.0297   0.5634   0.0077   0.5142  437.254  130.268  260.980  113.797 176.2738 172.9731 
1 1 1   28    4    2 o  971.985   72.984   4.5615   0.6480   5.0744   0.7669   3.2818   1.2114  1018.91   82.509  739.446  179.785 279.4624 197.8143 
1 1 1   28    4    3 o  319.555  118.201   0.4592   0.4605   0.6961   0.5365  -0.2033   0.8973  370.739  128.686  312.865  142.309 57.87421 191.8641 
1 1 1   28    4    4 o  1268.24   52.521   7.5723   0.6129   8.5712   0.9053   6.7268   0.8328  1332.60   74.119  1177.72   77.279 154.8782 107.0779 
1 1 1   28    4    5 o  1028.43   62.684   5.0421   0.5904   5.6186   1.0694   4.7895   0.7080  1046.83  112.802  992.731   78.140 54.10144 137.2225 
1 1 1   28    4    6 o  234.532   96.374   0.1270   0.3339   1.0998   0.6477  -0.2250   0.3896  447.242  140.936  200.901   92.279 246.3411 168.4586 
1 1 1   28    4    7 o  576.008   70.331   1.6140   0.3650   2.0031   0.5424   1.2919   0.4935  628.525   96.906  495.290  111.026 133.2355 147.3685 
1 1 1   28    4    8 o  575.497   79.783   1.6427   0.4111   2.3601   0.6019   1.0150   0.5629  679.294   99.217  428.765  130.780 250.5287 164.1562 
1 1 1   28    4    9 o  353.240  103.520   0.6601   0.3582   0.9828   0.5163   0.3607   0.4973  420.400  124.586  301.690  119.864 118.7101 172.8847 
1 1 1   28    4   10 o  214.977   93.024   0.0293   0.3383  -0.2576   0.4799   0.3127   0.4769  217.699  100.855  287.456  116.283 -69.75696 153.9266 
1 1 1   28    4   11 o  430.602   95.287   1.0005   0.3676   0.9550   0.5154   1.0476   0.5243  401.145  125.615  419.510  125.827 -18.36575 177.7962 
1 1 1   28    4   12 o  762.529   71.133   2.9512   0.4933   2.6626   0.6792   3.2737   0.7178  679.895  112.496  764.388  104.813 -84.49286 153.7567 
1 1 1   28    4   13 o  425.668  123.555   1.1918   0.5124   0.1655   0.8304   1.8230   0.6512  285.645  132.452  516.108  135.430 -230.4629 189.4329 
1 1 1   28    4   14 o  324.808  115.138   0.7153   0.4310   0.1542   0.5676   1.4791   0.6623  248.757  113.164  425.391  143.095 -176.6338 182.4346 
1 1 1   28    6    0 o  653.662   76.622   2.0798   0.4521   2.8025   0.6410   1.3644   0.6378  749.736   95.053  500.609  135.252 249.1264 165.3123 
1 1 1   28    6    1 o  274.857  113.082   0.1933   0.4604   0.1890   0.5413   0.2047   0.8751  290.077  121.265  345.767  149.620 -55.68942 192.5911 
1 1 1   28    6    2 o  759.561   81.324   2.8243   0.5596   2.7535   0.6455   3.0385   1.1226  740.756   97.029  719.373  171.926 21.38281 197.4158 
1 1 1   28    6    3 o  580.647  103.441   1.7255   0.5324   1.8930   0.6214   1.2629   1.0325  601.077  116.557  475.012  176.735 126.0657 211.7095 
1 1 1   28    6    4 o  2027.09   45.385   19.226   0.8465   20.639   1.2803   18.129   1.1284  2079.96   66.895  1953.56   62.774 126.4026 91.73607 
1 1 1   28    6    5 o  1435.06   48.659   9.6605   0.6425   9.7859   0.9432   9.5519   0.8777  1426.50   72.091  1414.53   67.432 11.96960 98.71290 
1 1 1   28    6    6 o  155.159   73.697  -0.3235   0.2852  -0.6469   0.4561  -0.1159   0.3655  183.699   88.794  206.430   92.640 -22.73094 128.3219 
1 1 1   28    6    7 o  607.950   84.375   1.8381   0.4593   1.6577   0.8138   1.9224   0.5563  532.906  156.000  611.685  102.468 -78.77960 186.6434 
1 1 1   28    6    8 o  705.159   77.122   2.4485   0.4923   3.0942   0.9081   2.1799   0.5858  745.737  137.406  650.122  101.214 95.61536 170.6599 
1 1 1   28    6    9 o  824.639   61.925   3.2826   0.4665   3.5263   0.6662   3.0483   0.6533  835.634   87.962  771.764   93.937 63.87006 128.6911 
1 1 1   28    6   10 o  664.882   73.404   2.2026   0.4416   2.1285   0.6364   2.2714   0.6133  620.626  115.697  649.878  106.225 -29.25146 157.0649 
1 1 1   28    6   11 o  272.790  104.821   0.3465   0.3699   0.9630   0.5620  -0.1248   0.4914  396.138  131.803  228.715  104.528 167.4230 168.2207 
1 1 1   28    6   12 o  385.687  122.207   0.9334   0.4865   1.1061   0.8218   0.8402   0.6036  388.659  154.189  359.714  134.873 28.94559 204.8538 
1 1 1   28    6   13 o  473.216  121.843   1.4648   0.5337   1.5246   0.8606   1.4274   0.6804  412.885  159.543  429.178  145.029 -16.29245 215.6090 
1 1 1   28    6   14 o  467.980  115.516   1.4593   0.4944   1.8945   0.6219   0.7117   0.8150  510.320  131.593  307.480  138.143 202.8398 190.7884 
1 1 1   28    8    0 o  290.238  107.478   0.3581   0.3809   0.8805   0.5449  -0.1412   0.5328  409.095  129.312  249.242  111.853 159.8536 170.9753 
1 1 1   28    8    1 o  659.606   73.628   2.1091   0.4393   2.4646   0.6346   1.7821   0.6086  698.602  101.707  583.673  117.387 114.9291 155.3189 
1 1 1   28    8    2 o  350.148  102.082   0.6269   0.3491   0.1872   0.5327   0.9580   0.4622  288.362  120.400  426.635  115.094 -138.2729 166.5611 
1 1 1   28    8    3 o  574.765   75.116   1.6112   0.3878   1.8145   0.6212   1.4813   0.4964  587.709  118.947  537.378  104.142 50.33020 158.0947 
1 1 1   28    8    4 o  742.337   62.420   2.6314   0.4224   2.7281   0.6462   2.5593   0.5582  737.366   97.637  720.582   85.878 16.78442 130.0310 
1 1 1   28    8    5 o  865.874   79.202   3.6540   0.6240   4.0248   0.7245   2.5880   1.2285  903.056   88.317  641.391  192.656 261.6649 211.9348 
1 1 1   28    8    6 o  564.690   73.552   1.5583   0.3731   1.6946   0.5757   1.4596   0.4899  567.755  114.151  531.551  103.894 36.20386 154.3517 
1 1 1   28    8    7 o  415.169   97.310   0.8946   0.3653   0.6710   0.5386   1.0850   0.4970  362.854  128.699  448.052  118.675 -85.19800 175.0632 
1 1 1   28    8    8 o  694.922   77.373   2.3874   0.4864   2.4579   0.9199   2.3600   0.5730  640.729  157.205  680.080   94.083 -39.35126 183.2080 
1 1 1   28    8    9 o  1059.14   65.874   5.4553   0.6388   4.2402   1.0821   6.1053   0.7914  854.870  142.589  1108.79   78.070 -253.9165 162.5627 
1 1 1   28    8   10 o  912.311   70.925   4.1326   0.5907   4.7351   0.9646   3.7711   0.7473  923.775  116.033  844.150   98.026 79.62482 151.8976 
1 1 1   28    8   11 o  1126.18   67.010   6.3230   0.6913   6.1241   1.1340   6.4406   0.8720  1021.12  123.174  1109.44   86.094 -88.32660 150.2797 
1 1 1   28    8   12 o  678.688   78.343   2.4270   0.4803   2.0121   0.6481   2.9322   0.7152  560.387  128.443  699.764  115.072 -139.3774 172.4506 
1 1 1   28    8   13 o  680.845   82.503   2.5487   0.5063   2.8262   0.6947   2.2343   0.7395  666.072  117.645  544.852  144.964 121.2203 186.6951 
1 1 1   28   10    0 o  667.771   70.838   2.1490   0.4286   1.9796   0.6055   2.3191   0.6069  621.714  109.856  679.540  100.046 -57.82587 148.5850 
1 1 1   28   10    1 o  754.200   68.228   2.7287   0.4684   2.4203   0.6277   3.1162   0.7035  693.281  101.391  789.459   99.025 -96.17834 141.7257 
1 1 1   28   10    2 o  234.382   95.332   0.1370   0.3225   0.0218   0.4718   0.2381   0.4419  253.824  109.845  279.028  112.264 -25.20448 157.0637 
1 1 1   28   10    3 o  711.672   61.974   2.4162   0.4018   1.9480   0.6277   2.7411   0.5230  612.185  115.668  751.511   76.701 -139.3265 138.7881 
1 1 1   28   10    4 o  841.441   55.640   3.3523   0.4284   3.5124   0.6915   3.2526   0.5457  842.380   90.639  820.495   73.039 21.88556 116.4050 
1 1 1   28   10    5 o  328.138   98.070   0.5472   0.3189  -0.0357   0.5402   0.8590   0.3951  261.061  115.148  405.962  104.989 -144.9012 155.8261 
1 1 1   28   10    6 o  262.183  108.476   0.1692   0.4268   0.3533   0.4772  -0.5666   0.9538  301.266  118.136  294.609  138.352 6.656250 181.9270 
1 1 1   28   10    7 o  313.022  115.781   0.4563   0.4418   0.4910   0.4798   0.2628   1.1335  323.513  120.454  370.815  165.008 -47.30225 204.2960 
1 1 1   28   10    8 o  490.908   96.999   1.2613   0.4226   1.3646   0.6945   1.2006   0.5326  478.648  145.100  462.859  122.961 15.78912 190.1927 
1 1 1   28   10    9 o  250.148  104.688   0.1643   0.4041   0.2799   0.6863   0.1029   0.4999  309.510  133.217  260.184  112.834 49.32611 174.5806 
1 1 1   28   10   10 o  866.154   77.980   3.8186   0.6148   6.4019   1.2838   3.0497   0.7004  1025.10  139.740  745.847  104.957 279.2570 174.7660 
1 1 1   28   10   11 o  767.758   71.044   3.0056   0.4962   2.8880   0.6813   3.1384   0.7241  710.978  107.498  738.234  109.957 -27.25671 153.7737 
1 1 1   28   10   12 o  337.501  115.734   0.7324   0.4333   0.8121   0.5361   0.5823   0.7361  344.558  127.519  312.282  136.161 32.27618 186.5499 
1 1 1   28   10   13 o  280.766  113.417   0.4879   0.4530   0.3046   0.5392   0.9277   0.8354  260.460  114.951  328.689  144.138 -68.22916 184.3627 
1 1 1   28   12    0 o  1356.49   47.081   8.5982   0.5877   9.2227   0.8391   7.9970   0.8233  1394.97   65.372  1294.96   69.344 100.0068 95.29977 
1 1 1   28   12    1 o  897.232   52.979   3.7915   0.4355   4.5681   0.6879   3.2724   0.5625  972.768   77.498  823.713   75.035 149.0547 107.8706 
1 1 1   28   12    2 o  445.718   79.913   0.9827   0.3157   0.6257   0.5130   1.2004   0.4006  358.407  125.748  488.574   92.483 -130.1673 156.0954 
1 1 1   28   12    3 o  1011.86   49.620   4.8019   0.4620   5.3645   0.7426   4.4466   0.5901  1052.96   77.182  964.167   66.929 88.79773 102.1590 
1 1 1   28   12    4 o  498.743   76.053   1.2227   0.3380   1.1063   0.5510   1.2929   0.4279  452.690  127.080  504.410   95.700 -51.72006 159.0838 
1 1 1   28   12    5 o  477.914   85.589   1.1478   0.3626   1.3266   0.5582   1.0173   0.4768  495.155  123.052  436.070  116.587 59.08411 169.5121 
1 1 1   28   12    7 o  617.173   77.997   1.8963   0.4331   0.9275   0.6339   2.7443   0.5931  405.179  139.913  735.700   89.445 -330.5201 166.0601 
1 1 1   28   12    8 o  528.986  102.558   1.4978   0.4812   1.5421   0.5270   1.2761   1.1797  530.276  111.543  441.909  181.326 88.36694 212.8870 
1 1 1   28   12    9 o  352.296  104.924   0.6911   0.3655   1.3294   0.5408   0.1542   0.4960  475.629  122.742  262.639  113.145 212.9898 166.9349 
1 1 1   28   12   10 o  461.976  101.354   1.2018   0.4190   0.7639   0.5716   1.7106   0.6161  352.207  131.407  524.965  128.560 -172.7580 183.8356 
1 1 1   28   12   11 o  603.758  112.278   2.1898   0.6008   2.9084   0.8956   1.6017   0.8102  628.539  155.665  442.954  157.767 185.5851 221.6348 
1 1 1   28   12   12 o  235.306   99.754   0.2207   0.3745   0.3398   0.4740   0.0229   0.6110  263.030  111.894  243.962  113.296 19.06787 159.2363 
1 1 1   28   14    0 o  1136.89   46.158   6.0353   0.4829   5.6840   0.6784   6.3960   0.6874  1092.14   67.844  1160.57   64.627 -68.42834 93.69883 
1 1 1   28   14    1 o  1085.29   45.866   5.5029   0.4580   5.4251   0.6918   5.5636   0.6112  1064.20   71.056  1083.06   61.581 -18.86182 94.02695 
1 1 1   28   14    2 o  789.810   52.266   2.9430   0.3777   3.7581   0.6447   2.5170   0.4661  878.679   80.636  722.525   71.018 156.1533 107.4509 
1 1 1   28   14    3 o  729.430   57.789   2.5306   0.3847   3.2899   0.7320   2.2409   0.4522  807.442  100.712  679.289   73.516 128.1531 124.6892 
1 1 1   28   14    4 o  370.498   95.031   0.7081   0.3256   1.3692   0.6601   0.4957   0.3742  494.249  139.215  317.074  107.556 177.1750 175.9240 
1 1 1   28   14    5 o  499.065   81.271   1.2468   0.3604   1.4680   0.6489   1.1481   0.4333  509.797  135.873  467.494  103.470 42.30295 170.7851 
1 1 1   28   14    6 o  1209.51   47.966   6.9065   0.5338   6.5523   0.7594   7.2526   0.7506  1158.30   71.596  1223.24   66.942 -64.93640 98.01704 
1 1 1   28   14    7 o  1073.63   52.616   5.4960   0.5198   5.6889   0.7396   5.3077   0.7307  1070.49   75.568  1031.91   77.521 38.58887 108.2589 
1 1 1   28   14    8 o  304.222  103.439   0.4919   0.3461   0.4601   0.4551   0.5356   0.5331  304.472  116.434  323.260  125.383 -18.78766 171.1074 
1 1 1   28   14    9 o  459.934  124.291   1.2974   0.5385   1.2974   0.5385   0.0000   0.0000  459.934  124.291  ?   ?  0.000000 124.2907 
1 1 1   28   14   10 o  1006.55   56.734   5.0115   0.5233   5.0165   0.6220   4.9993   0.9684  991.307   68.606  907.139  118.880 84.16766 137.2561 
1 1 1   28   14   11 o  362.887  125.644   0.9293   0.5113   1.0865   0.7276   0.7760   0.7187  363.891  144.855  326.349  138.259 37.54184 200.2464 
1 1 1   28   14   12 o  296.607  133.229   0.6207   0.7577   0.0000   0.0000   0.6207   0.7577  ?   ?   296.607  133.229 0.000000 133.2290 
1 1 1   28   16    0 o  716.588   54.807   2.4282   0.3586   2.0784   0.5577   2.6749   0.4683  644.335   97.082  746.604   68.947 -102.2682 119.0738 
1 1 1   28   16    1 o  351.493   80.163   0.6190   0.2535   0.0262   0.4648   0.8700   0.3025  252.293  109.109  417.673   81.630 -165.3796 136.2653 
1 1 1   28   16    2 o  654.842   52.616   2.0318   0.3144   2.3659   0.5522   1.8716   0.3824  689.455   89.136  622.387   67.866 67.06775 112.0312 
1 1 1   28   16    3 o  728.739   53.397   2.5209   0.3556   2.2340   0.5768   2.6968   0.4516  662.774   97.487  747.758   66.320 -84.98474 117.9066 
1 1 1   28   16    4 o  584.360   60.479   1.6460   0.3205   2.0888   0.5345   1.3974   0.4005  640.519   93.441  526.164   85.662 114.3559 126.7638 
1 1 1   28   16    5 o  434.870   85.778   0.9706   0.3310   0.6868   0.4922   1.2049   0.4473  357.994  123.311  474.597  105.198 -116.6027 162.0874 
1 1 1   28   16    6 o  298.084   94.294   0.4630   0.2897   0.7632   0.3989   0.1281   0.4214  371.987  109.317  248.512  105.606 123.4746 151.9966 
1 1 1   28   16    7 o  265.191   97.461   0.3380   0.3122   0.2182   0.4162   0.4922   0.4721  257.967  106.960  310.871  118.660 -52.90427 159.7524 
1 1 1   28   16    8 o  880.515   56.211   3.7905   0.4531   3.6006   0.5541   4.1736   0.7869  842.285   72.192  871.867   99.891 -29.58130 123.2467 
1 1 1   28   16    9 o  894.470   79.665   4.2259   0.6488   4.3129   0.7043   3.7374   1.6681  893.215   86.785  520.346  214.804 372.8685 231.6728 
1 1 1   28   16   10 o  740.499   67.650   2.8479   0.4559   2.7744   0.5536   3.0028   0.8035  705.693   87.099  656.597  137.402 49.09613 162.6825 
1 1 1   28   16   11 o  227.496  100.568   0.1530   0.4144   1.3030   0.5683  -1.1521   0.6054  410.563  132.300  173.919   87.239 236.6446 158.4741 
1 1 1   28   18    0 o  738.899   61.133   2.6069   0.4119   2.5593   0.4287   3.1777   1.4849  730.623   64.433  688.272  212.831 42.35132 222.3709 
1 1 1   28   18    1 o  432.552   96.213   0.9640   0.3731   1.1407   0.3904  -0.8974   1.2670  472.926   93.016  322.752  153.873 150.1742 179.8024 
1 1 1   28   18    2 o  343.337   71.703   0.5889   0.2192   0.6827   0.4047   0.5500   0.2608  359.960  111.084  327.915   85.533 32.04425 140.1985 
1 1 1   28   18    3 o  871.868   41.476   3.5644   0.3327   3.5813   0.4461   3.5431   0.4996  865.471   56.326  856.259   63.862 9.212280 85.15282 
1 1 1   28   18    4 o  847.704   44.626   3.3976   0.3469   2.9767   0.4304   4.1779   0.5860  784.778   60.052  923.159   69.497 -138.3809 91.84798 
1 1 1   28   18    5 o  1147.74   42.063   6.2150   0.4442   6.2953   0.5565   6.0738   0.7376  1147.04   52.722  1105.63   72.913 41.40833 89.97716 
1 1 1   28   18    6 o  622.863   58.884   1.9018   0.3335   1.5785   0.4289   2.3964   0.5304  546.974   88.207  676.572   87.228 -129.5973 124.0531 
1 1 1   28   18    7 o  186.629   82.156  -0.0017   0.2737  -0.2864   0.3556   0.4122   0.4287  176.021   83.218  285.872  112.004 -109.8511 139.5354 
1 1 1   28   18    8 o  155.567   74.179  -0.2849   0.2947  -0.6777   0.3528   0.6226   0.5362  143.583   71.135  317.691  125.014 -174.1082 143.8353 
1 1 1   28   18    9 o  1065.09   52.237   5.6097   0.5120   5.7390   0.6377   5.3752   0.8586  1054.20   66.076  959.120   98.691 95.08374 118.7684 
1 1 1   28   18   10 o  307.438  151.077   0.6804   1.4833   0.0000   0.0000   0.6804   1.4833  ?   ?   307.438  151.077 0.000000 151.0766 
1 1 1   28   20    0 o  846.777  207.740   4.8681   1.6065   4.8681   1.6065   0.0000   0.0000  846.777  207.740  ?   ?  0.000000 207.7399 
1 1 1   28   20    1 o  681.263  219.709   3.5698   1.5671   3.5698   1.5671   0.0000   0.0000  681.263  219.709  ?   ?  0.000000 219.7091 
1 1 1   28   20    2 o  403.645  173.170   0.8106   1.1528   0.8106   1.1528   0.0000   0.0000  403.645  173.170  ?   ?  0.000000 173.1697 
1 1 1   28   20    3 o  156.960   71.224  -0.0979   0.2231  -0.0580   0.2267  -1.2978   1.2435  164.789   73.529  285.608  139.937 -120.8192 158.0785 
1 1 1   28   20    4 o  667.726   46.208   2.1301   0.2822   2.0410   0.3606   2.2708   0.4532  644.463   61.556  670.297   74.743 -25.83362 96.82779 
1 1 1   28   20    5 o  546.409   57.304   1.4690   0.2838   1.4169   0.3649   1.5488   0.4516  522.554   78.300  532.698   95.647 -10.14331 123.6094 
1 1 1   28   20    6 o  568.723   59.486   1.6137   0.3067   1.6692   0.3919   1.5260   0.4927  563.931   77.571  510.284  108.287 53.64719 133.2035 
1 1 1   28   20    7 o  316.699   92.984   0.5813   0.2888   0.5806   0.3562   0.5826   0.4933  310.155  104.929  307.465  120.231 2.690430 159.5797 
1 1 1   28   20    8 o  245.646   97.992   0.3083   0.3336   0.4296   0.4301   0.1248   0.5287  273.505  110.498  242.931  110.003 30.57422 155.9186 
1 1 1   28   22    0 o  262.756  128.101  -1.1301   1.0049  -0.1198   1.2600  -2.8960   1.6658  343.320  160.518  288.368  144.656 54.95215 216.0822 
1 1 1   28   22    1 o  299.398  140.130  -0.2438   0.9646   0.7791   1.2355  -1.8405   1.5436  391.525  173.341  298.077  147.873 93.44797 227.8451 
1 1 1   28   22    2 o  251.221  122.896  -1.0483   0.9481  -0.1561   1.3032  -2.0513   1.3818  331.206  157.378  270.811  135.240 60.39453 207.5038 
1 1 1   28   22    3 o  463.730  176.949   1.7709   1.0497   3.1457   1.4770   0.3679   1.4920  552.497  210.119  356.545  169.120 195.9516 269.7253 
1 1 1   28   22    4 o  230.755   96.530   0.1712   0.3433   0.2203   0.3530  -0.6907   1.4794  240.905   99.054  303.828  149.610 -62.92212 179.4292 
1 1 1   28   22    5 f  250.235   92.537   0.3253   0.2822   0.3191   0.2871   0.5005   1.5306  249.188   93.104  335.167  162.164 -85.97867 186.9907 
1 1 1   28   22    6 o  776.381   47.249   2.9490   0.3359   3.3402   0.4271   2.3143   0.5440  815.217   57.301  632.032   96.609 183.1849 112.3244 
1 1 1   28   24    1 o  445.794  180.492   1.7801   1.1501   0.4787   1.5143   3.5542   1.7681  355.106  168.999  525.320  219.345 -170.2144 276.8990 
1 1 1   28   24    2 o  286.456  136.430  -0.1474   0.9908   1.2977   1.2938  -2.1967   1.5407  385.328  173.496  266.929  134.581 118.3985 219.5745 
1 1 1   28   24    3 o  328.130  152.610   0.5931   1.1152   2.5022   1.5032  -1.7445   1.6633  437.064  192.464  278.025  140.132 159.0392 238.0739 
1 1 1   28   24    4 o  406.668  172.027   1.8134   1.1100   2.5112   1.4200   0.7172   1.7797  426.250  187.397  332.145  163.658 94.10483 248.7998 
1 1 1   28   26    0 o  256.281  130.826  -3.6800   1.8003   0.0000   0.0000  -3.6800   1.8003  ?   ?   256.281  130.826 0.000000 130.8262 
1 1 1   29    1    0 o  447.548  122.009   1.0593   0.5162   2.1327   0.9376   0.5923   0.6184  610.816  163.554  362.400  136.398 248.4159 212.9650 
1 1 1   29    1    1 o  521.677  108.099   1.4037   0.5019   0.9727   0.8844   1.6084   0.6095  436.361  163.327  551.249  123.252 -114.8880 204.6134 
1 1 1   29    1    2 o  619.410   86.065   1.8956   0.4773   2.0678   0.7199   1.7605   0.6375  622.253  129.930  576.560  123.859 45.69324 179.5067 
1 1 1   29    1    3 o  474.150  101.866   1.1536   0.4312   1.0423   0.6048   1.2686   0.6149  439.910  135.801  483.485  133.715 -43.57468 190.5822 
1 1 1   29    1    4 o  946.850   61.123   4.2612   0.5297   4.4025   0.7571   4.1257   0.7413  946.688   87.920  915.432   89.136 31.25616 125.2004 
1 1 1   29    1    5 o  1373.27   52.365   8.8674   0.6617   8.2847   0.9223   9.4855   0.9500  1309.29   76.888  1403.85   73.798 -94.55933 106.5733 
1 1 1   29    1    6 o  784.648   67.955   2.9619   0.4858   3.5202   0.6923   2.4202   0.6819  842.143   90.768  683.710  112.286 158.4333 144.3853 
1 1 1   29    1    7 o  288.201  111.783   0.3253   0.4237   0.2765   0.4915   0.4665   0.8362  291.424  117.991  363.317  151.201 -71.89349 191.7903 
1 1 1   29    1    8 o  1080.41   68.160   5.6445   0.6741   5.8784   0.7990   5.0666   1.2560  1092.76   80.015  942.619  149.823 150.1424 169.8513 
1 1 1   29    1    9 o  697.276   70.058   2.3853   0.4434   2.2405   0.6205   2.5365   0.6339  649.721  107.550  696.492  101.925 -46.77130 148.1747 
1 1 1   29    1   10 f  890.281   63.473   3.8689   0.5166   3.2154   0.7181   4.5697   0.7437  776.334  103.070  945.506   86.433 -169.1724 134.5141 
1 1 1   29    1   11 o  459.357  119.953   1.2515   0.5125   1.5478   1.0057   1.1475   0.5957  449.245  172.780  425.772  135.262 23.47266 219.4280 
1 1 1   29    1   12 o  290.612  116.936   0.4362   0.4795   0.3042   0.8652   0.4948   0.5761  306.403  139.512  305.378  126.163 1.024994 188.0974 
1 1 1   29    1   13 o  432.800  111.171   1.1808   0.4451   0.2351   0.5885   2.4447   0.6803  264.158  118.121  610.132  125.371 -345.9736 172.2508 
1 1 1   29    3    0 o  748.815   75.408   2.7120   0.5125   2.4604   0.7099   2.9857   0.7407  691.063  115.736  767.630  107.831 -76.56781 158.1842 
1 1 1   29    3    1 o  1322.77   54.835   8.2342   0.6674   7.2702   0.9097   9.3579   0.9822  1224.46   81.204  1393.35   76.906 -168.8922 111.8417 
1 1 1   29    3    2 o  338.164  120.173   0.5427   0.4698   0.9763   0.5603  -0.4842   0.8622  428.023  130.454  288.624  134.220 139.3994 187.1719 
1 1 1   29    3    3 o  1143.17   86.139   6.3873   0.8994   4.7814   1.1153   9.3745   1.5211  953.100  130.606  1345.49  124.267 -392.3906 180.2780 
1 1 1   29    3    4 o  1007.43   65.482   4.8435   0.6037   3.8017   0.9996   5.4418   0.7575  846.763  132.648  1060.11   78.204 -213.3511 153.9853 
1 1 1   29    3    5 o  1076.08   55.459   5.4724   0.5473   5.9978   0.8081   5.0273   0.7438  1111.47   79.539  1016.75   80.154 94.72174 112.9208 
1 1 1   29    3    6 o  188.405   86.891  -0.2269   0.3503  -0.5394   0.5015   0.0708   0.4895  204.206   97.205  262.887  112.813 -58.68124 148.9145 
1 1 1   29    3    7 o  722.987   69.833   2.5334   0.4588   3.6984   0.6953   1.6349   0.6106  861.981   88.940  549.962  123.658 312.0194 152.3206 
1 1 1   29    3    8 o  518.962   84.638   1.3575   0.3902   2.0829   0.5837   0.7711   0.5248  632.688  103.860  378.878  127.375 253.8099 164.3509 
1 1 1   29    3    9 o  514.479   84.634   1.3476   0.3867   1.3034   0.5483   1.3914   0.5455  481.412  123.252  500.086  120.066 -18.67380 172.0660 
1 1 1   29    3   10 o  588.303   83.059   1.7735   0.4371   1.7375   0.6114   1.8112   0.6252  549.506  123.884  561.000  124.368 -11.49408 175.5415 
1 1 1   29    3   11 o  880.238   65.249   3.8477   0.5247   2.8831   0.6949   5.1271   0.8003  717.353  108.685  986.570   89.125 -269.2171 140.5546 
1 1 1   29    3   12 o  297.745  109.589   0.5049   0.3950   0.9303   0.5907   0.1608   0.5312  370.516  134.370  258.119  113.999 112.3971 176.2130 
1 1 1   29    3   13 o  385.472  130.592   1.0805   0.5517   1.1250   0.9096   1.0546   0.6939  356.152  153.326  362.740  142.383 -6.588318 209.2411 
1 1 1   29    5    0 o  1192.66   66.848   6.7774   0.7307   6.8703   0.8586   6.5336   1.3914  1193.02   78.651  1110.50  139.225 82.51855 159.9048 
1 1 1   29    5    1 o  652.208   81.600   2.0812   0.4790   2.3148   0.6900   1.8639   0.6655  669.311  116.254  593.688  125.729 75.62335 171.2392 
1 1 1   29    5    2 o  345.718  109.126   0.6029   0.3882   0.9189   0.5775   0.3424   0.5243  417.230  133.251  310.508  123.166 106.7222 181.4544 
1 1 1   29    5    3 o  863.323   64.042   3.5536   0.5051   3.6670   0.7491   3.4591   0.6840  858.618   96.483  837.619   90.170 20.99939 132.0592 
1 1 1   29    5    4 o  856.166   64.033   3.4972   0.5008   2.5537   0.7388   4.2994   0.6812  700.946  118.785  941.075   79.409 -240.1291 142.8835 
1 1 1   29    5    5 o  422.381   97.636   0.9147   0.3719   0.2536   0.5317   1.5479   0.5203  297.275  121.826  547.835  107.055 -250.5596 162.1801 
1 1 1   29    5    6 o  574.629   84.939   1.6414   0.4356   3.1118   0.8997   1.1912   0.4978  759.272  133.654  473.862  115.273 285.4098 176.4970 
1 1 1   29    5    7 o  629.188   74.131   1.9385   0.4209   2.0520   0.6099   1.8353   0.5818  626.518  109.789  590.987  111.055 35.53125 156.1631 
1 1 1   29    5    8 o  237.128   97.935   0.1380   0.3470  -0.3376   0.5002   0.5791   0.4818  217.881  101.626  338.902  121.557 -121.0205 158.4422 
1 1 1   29    5    9 o  854.641   61.342   3.5349   0.4792   3.9333   0.6962   3.1763   0.6605  880.485   87.077  785.382   93.218 95.10248 127.5616 
1 1 1   29    5   10 o  440.919   98.083   1.0534   0.3877   1.5630   0.5965   0.6807   0.5101  515.347  126.688  348.352  125.064 166.9953 178.0190 
1 1 1   29    5   11 o  356.984  110.561   0.7443   0.4005   0.8527   0.5587   0.6296   0.5746  369.373  131.069  332.030  129.781 37.34290 184.4507 
1 1 1   29    5   12 o  226.988  102.609   0.0038   0.4578  -0.0890   0.7872   0.0513   0.5627  266.093  125.193  248.938  113.025 17.15579 168.6648 
1 1 1   29    5   13 o  355.216  116.155   0.8506   0.4372   1.7130   0.6244   0.0213   0.6123  484.818  134.989  243.997  113.347 240.8217 176.2659 
1 1 1   29    7    0 o  900.131   64.390   3.8561   0.5298   4.0342   0.7421   3.6711   0.7566  906.687   90.147  860.229   97.293 46.45856 132.6366 
1 1 1   29    7    1 o  1469.63   51.929   10.132   0.7022   9.9045   0.9858   10.367   1.0006  1436.45   74.842  1470.22   74.199 -33.77307 105.3887 
1 1 1   29    7    2 o  1224.79   68.336   7.1591   0.7671   6.6459   0.8772   8.8269   1.5813  1170.78   81.942  1297.16  134.430 -126.3733 157.4351 
1 1 1   29    7    3 o  177.366   86.349  -0.7346   0.4520  -0.7391   0.5189  -0.7205   0.9202  195.746   94.639  284.565  134.331 -88.81898 164.3211 
1 1 1   29    7    4 o  304.552  119.129   0.3482   0.4844   0.1994   0.5448   0.9099   1.0583  292.692  121.947  438.088  174.599 -145.3957 212.9688 
1 1 1   29    7    5 o  727.532   66.055   2.5412   0.4374   3.5313   0.7117   1.9402   0.5545  842.247   93.398  617.840  101.021 224.4078 137.5804 
1 1 1   29    7    6 o  709.969   66.882   2.4307   0.4318   2.5337   0.6736   2.3589   0.5626  700.747  107.927  686.134   91.378 14.61383 141.4149 
1 1 1   29    7    7 o  903.354   67.669   3.9453   0.5584   4.9714   1.1166   3.6031   0.6448  957.148  130.161  852.658   83.248 104.4906 154.5064 
1 1 1   29    7    8 o  369.623  114.479   0.7393   0.4294   1.0036   0.8632   0.6524   0.4950  418.997  160.327  352.105  123.526 66.89194 202.3943 
1 1 1   29    7    9 o  481.084   94.429   1.2213   0.4031   1.2490   0.5689   1.1933   0.5712  462.403  128.883  450.832  130.330 11.57172 183.2948 
1 1 1   29    7   10 o  319.467  118.610   0.5483   0.4645   0.3835   0.8000   0.6321   0.5706  324.319  141.665  338.498  130.155 -14.17883 192.3784 
1 1 1   29    7   11 o  344.181  121.389   0.7222   0.4785   1.8401   0.8626   0.2254   0.5751  488.694  163.312  274.670  120.041 214.0239 202.6833 
1 1 1   29    7   12 o  397.879  112.837   0.9991   0.4321   1.3281   0.6131   0.6743   0.6092  427.999  137.357  321.442  130.916 106.5568 189.7526 
1 1 1   29    7   13 o  210.208   97.288  -0.0584   0.4449  -0.3432   0.5590   0.4338   0.7349  207.115   99.656  284.882  129.274 -77.76694 163.2267 
1 1 1   29    9    0 o  412.496  107.997   0.8759   0.4147   0.6791   0.5877   1.0710   0.5853  375.973  134.327  449.461  132.506 -73.48853 188.6835 
1 1 1   29    9    1 o  1126.32   55.723   5.9640   0.5775   5.9317   0.8383   5.9932   0.7967  1106.36   82.951  1115.27   78.129 -8.913574 113.9519 
1 1 1   29    9    2 o  1224.75   51.062   7.0317   0.5755   6.9389   0.8304   7.1174   0.7982  1201.43   75.502  1219.57   71.437 -18.13708 103.9408 
1 1 1   29    9    3 f  198.914   87.671  -0.0565   0.3126  -0.7710   0.5181   0.3524   0.3920  193.417   93.767  291.010  108.770 -97.59229 143.6079 
1 1 1   29    9    4 o  436.280   96.271   0.9717   0.3761   0.5548   0.5937   1.2513   0.4861  352.269  133.393  489.967  110.465 -137.6985 173.1944 
1 1 1   29    9    5 o  166.434   82.024  -0.8817   0.4478  -0.9998   0.5079  -0.4696   0.9489  176.502   87.057  301.814  140.505 -125.3120 165.2892 
1 1 1   29    9    6 o  1003.28   55.955   4.7827   0.5145   4.6649   0.7603   4.8822   0.6989  970.258   86.048  1000.14   76.520 -29.87714 115.1499 
1 1 1   29    9    7 o  251.496   99.225   0.2250   0.3386   0.4206   0.5364   0.0955   0.4366  316.859  124.928  251.012  107.097 65.84737 164.5502 
1 1 1   29    9    8 o  565.175   94.260   1.6611   0.4729   1.9435   0.8877   1.5492   0.5588  550.131  163.438  528.732  117.873 21.39935 201.5092 
1 1 1   29    9    9 o  656.625  112.407   2.3864   0.6547   0.0000   0.0000   2.3864   0.6547  ?   ?   656.625  112.407 0.000000 112.4072 
1 1 1   29    9   10 o  976.917   61.733   4.7073   0.5521   4.6797   0.7714   4.7363   0.7905  939.226   90.372  942.189   92.365 -2.962830 129.2226 
1 1 1   29    9   11 o  649.241   79.729   2.2317   0.4663   1.7550   0.6296   2.8111   0.6940  516.664  131.955  686.792  113.805 -170.1277 174.2520 
1 1 1   29    9   12 o  628.895   92.438   2.2571   0.5190   2.2990   0.6615   2.1900   0.8369  587.935  126.062  505.724  160.292 82.21072 203.9242 
1 1 1   29   11    0 o  1112.24   57.127   5.8302   0.5827   5.7009   0.7631   6.0110   0.9024  1089.56   76.602  1110.91   89.024 -21.34924 117.4444 
1 1 1   29   11    1 o  1507.66   50.996   10.648   0.7075   10.735   0.9625   10.546   1.0434  1502.23   69.631  1482.04   76.775 20.19141 103.6476 
1 1 1   29   11    2 o  389.050  100.844   0.7753   0.3640   1.0157   0.5937   0.6305   0.4607  436.826  134.498  356.165  119.349 80.66132 179.8165 
1 1 1   29   11    3 o  413.092   88.396   0.8604   0.3258   0.4683   0.5564   1.0650   0.4020  334.558  128.553  456.607   98.565 -122.0488 161.9909 
1 1 1   29   11    4 o  487.969   80.999   1.1814   0.3509   1.1437   0.5848   1.2026   0.4387  458.186  131.695  483.034  101.914 -24.84848 166.5237 
1 1 1   29   11    5 o  1271.36   49.376   7.6051   0.5776   7.4065   0.8725   7.7600   0.7707  1233.01   77.290  1271.65   66.095 -38.64697 101.6969 
1 1 1   29   11    6 o  658.143  121.394   2.3402   0.7081   2.9908   0.8973   1.2664   1.1527  730.237  138.611  461.587  182.772 268.6501 229.3874 
1 1 1   29   11    7 o  784.127  101.644   3.2096   0.7161   3.0186   0.8471   3.6880   1.3408  733.880  130.209  727.904  195.870 5.975952 235.2010 
1 1 1   29   11    8 o  618.141   78.626   1.9326   0.4371   1.1325   0.5968   2.8587   0.6420  434.159  135.034  737.135   97.009 -302.9758 166.2676 
1 1 1   29   11    9 o  780.807   66.964   3.0337   0.4765   2.9555   0.6781   3.1099   0.6697  734.988  103.094  759.601   98.102 -24.61279 142.3107 
1 1 1   29   11   10 o  468.997  119.667   1.3500   0.5181   1.8768   1.0060   1.1598   0.6045  467.067  174.319  414.692  136.627 52.37451 221.4812 
1 1 1   29   11   11 f  237.387  102.987   0.1667   0.4168   0.5183   0.5393  -0.3546   0.6566  297.841  122.449  228.063  109.283 69.77800 164.1232 
1 1 1   29   11   12 o  461.097  107.793   1.3469   0.4492   0.7691   0.5642   2.3468   0.7422  322.591  127.826  551.077  144.560 -228.4862 192.9693 
1 1 1   29   13    0 f  721.150   63.461   2.4756   0.4168   2.2743   0.5910   2.6748   0.5880  675.782   97.890  738.749   88.244 -62.96637 131.7935 
1 1 1   29   13    1 o  881.102   55.397   3.6644   0.4469   3.5933   0.6860   3.7169   0.5890  856.146   88.344  879.105   73.481 -22.95953 114.9089 
1 1 1   29   13    2 o  1011.85   53.204   4.8263   0.4936   6.0356   0.7782   4.0123   0.6385  1118.28   76.082  910.385   76.941 207.8945 108.2054 
1 1 1   29   13    3 o  609.852   71.207   1.8048   0.3921   2.3381   0.7800   1.6245   0.4535  657.205  133.528  569.877   89.432 87.32831 160.7106 
1 1 1   29   13    4 o  901.744   97.348   4.1028   0.7949   3.6118   0.8961   5.9173   1.7225  826.173  121.497  962.663  200.951 -136.4898 234.8250 
1 1 1   29   13    5 o  445.918   91.036   1.0217   0.3609   0.5381   0.6929   1.2017   0.4228  352.285  140.982  480.416   98.933 -128.1317 172.2316 
1 1 1   29   13    6 o  590.899   77.918   1.7441   0.4133   1.8874   0.6163   1.6270   0.5572  587.163  118.163  546.802  114.419 40.36041 164.4814 
1 1 1   29   13    7 o  394.162   97.875   0.8368   0.3534   0.4589   0.4909   1.2432   0.5091  310.997  120.403  468.417  118.128 -157.4199 168.6745 
1 1 1   29   13    8 o  1041.88   73.936   5.4600   0.7042   5.5827   0.7847   4.9520   1.5965  1042.93   82.438  756.309  217.667 286.6236 232.7555 
1 1 1   29   13    9 o  316.569  111.453   0.5755   0.4032   0.7988   0.5421   0.2991   0.6031  357.001  128.845  287.065  124.216 69.93619 178.9709 
1 1 1   29   13   10 o  190.064   88.825  -0.1904   0.3851   0.4470   0.5060  -1.0680   0.5938  288.529  118.616  180.881   90.060 107.6484 148.9312 
1 1 1   29   13   11 o  185.725   88.480  -0.2815   0.4173   0.5611   0.6719  -0.8107   0.5325  298.635  130.155  176.896   87.595 121.7392 156.8860 
1 1 1   29   15    0 o  426.359   92.760   0.9189   0.3536   0.6402   0.5339   1.1367   0.4719  363.277  128.214  467.862  111.237 -104.5841 169.7426 
1 1 1   29   15    1 o  533.968   69.108   1.3811   0.3316   1.3561   0.5748   1.3935   0.4060  503.764  124.670  529.321   86.324 -25.55692 151.6392 
1 1 1   29   15    2 o  374.191   83.136   0.7061   0.2788   1.3546   0.5629   0.4953   0.3210  502.084  122.837  314.345   99.228 187.7389 157.9086 
1 1 1   29   15    3 o  684.236   57.146   2.2345   0.3565   2.6136   0.6128   2.0406   0.4383  719.049   94.948  645.260   75.230 73.78802 121.1385 
1 1 1   29   15    4 o  432.951   83.791   0.9515   0.3217   0.8020   0.5651   1.0232   0.3914  384.896  132.156  442.132   98.697 -57.23624 164.9433 
1 1 1   29   15    5 f  655.950   66.644   2.1034   0.3967   1.0991   0.5838   2.9647   0.5406  436.060  133.218  772.482   77.090 -336.4216 153.9153 
1 1 1   29   15    6 o  191.092   85.705  -0.0762   0.3123  -0.4007   0.4965   0.1363   0.4017  207.967   98.324  245.023  103.559 -37.05602 142.8011 
1 1 1   29   15    7 o  163.427   78.017  -0.3509   0.3280   0.4827   0.5119  -0.9314   0.4272  310.782  122.197  153.664   76.489 157.1176 144.1617 
1 1 1   29   15    8 o  231.578   97.840   0.1495   0.3583   0.0706   0.4813   0.2476   0.5368  243.668  108.018  273.424  117.749 -29.75584 159.7896 
1 1 1   29   15    9 o  543.566  117.859   1.8330   0.5725   1.8169   0.6142   1.9398   1.5810  527.701  127.837  400.858  184.775 126.8430 224.6869 
1 1 1   29   15   10 o  142.053   70.312  -0.6203   0.3417  -0.4105   0.4371  -0.9502   0.5481  180.715   87.248  173.992   86.613 6.723236 122.9393 
1 1 1   29   17    0 o  596.399   59.572   1.7001   0.3226   1.1589   0.4890   2.1169   0.4291  468.468  114.425  660.881   71.720 -192.4135 135.0441 
1 1 1   29   17    1 o  466.174   61.623   1.0503   0.2579   1.2262   0.4678   0.9735   0.3090  483.375  107.911  442.020   78.874 41.35510 133.6638 
1 1 1   29   17    2 o  190.323   78.584   0.0710   0.2233   0.7469   0.4939  -0.1027   0.2504  374.568  123.505  168.613   76.085 205.9545 145.0598 
1 1 1   29   17    3 o  418.830   77.252   0.8832   0.2868   1.4565   0.5083   0.6156   0.3473  521.443  109.426  341.682  102.390 179.7606 149.8592 
1 1 1   29   17    4 o  512.260   75.366   1.3158   0.3446   1.8251   0.5556   0.9972   0.4394  582.422  107.635  425.364  111.058 157.0588 154.6581 
1 1 1   29   17    5 o  721.365   58.953   2.5303   0.3879   2.1725   0.5296   2.9444   0.5697  644.266   91.944  759.441   82.872 -115.1746 123.7798 
1 1 1   29   17    6 o  262.919   94.691   0.3439   0.2926   0.3615   0.4114   0.3260   0.4163  279.335  109.638  273.648  109.359 5.686951 154.8550 
1 1 1   29   17    7 o  234.863   94.055   0.2229   0.3086   0.2352   0.4124   0.2072   0.4652  253.507  105.900  257.253  110.178 -3.746017 152.8199 
1 1 1   29   17    8 o  183.488   84.169  -0.1033   0.3227   0.0865   0.4133  -0.3996   0.5164  227.659  100.549  201.940   96.803 25.71916 139.5744 
1 1 1   29   17    9 o  366.110  105.691   0.8442   0.3759   0.6211   0.4542   1.3290   0.6695  308.099  116.678  404.694  143.499 -96.59457 184.9483 
1 1 1   29   19    0 o  353.547  163.270  -0.1758   1.2429  -0.1758   1.2429   0.0000   0.0000  353.547  163.270  ?   ?  0.000000 163.2698 
1 1 1   29   19    1 o  402.338  174.998   0.6583   1.2095   0.6583   1.2095   0.0000   0.0000  402.338  174.998  ?   ?  0.000000 174.9976 
1 1 1   29   19    2 o  375.795   88.046   0.7366   0.2991   0.7366   0.2991   0.0000   0.0000  375.795   88.046  ?   ?  0.000000 88.04574 
1 1 1   29   19    3 o  1112.22   37.577   5.8043   0.3846   5.7320   0.4944   5.9151   0.6119  1097.85   48.941  1104.46   60.443 -6.610229 77.77290 
1 1 1   29   19    4 o  544.954   56.066   1.4478   0.2771   1.4018   0.3692   1.5072   0.4195  522.128   79.337  535.391   88.219 -13.26251 118.6463 
1 1 1   29   19    5 o  452.733   71.676   1.0500   0.2887   0.8037   0.3870   1.3589   0.4334  372.768  107.133  495.593   98.500 -122.8246 145.5322 
1 1 1   29   19    6 o  315.626   96.125   0.5681   0.3043   0.5236   0.3984   0.6305   0.4715  302.085  110.227  323.045  119.580 -20.96030 162.6323 
1 1 1   29   19    7 o  811.654   55.102   3.2731   0.4091   3.0289   0.5114   3.7069   0.6817  758.500   74.227  812.028   92.905 -53.52808 118.9160 
1 1 1   29   19    8 o  188.913   87.134  -0.0919   0.3524  -0.1444   0.4659  -0.0217   0.5388  207.384   97.167  230.185  106.719 -22.80067 144.3271 
1 1 1   29   21    0 o  282.121  133.794  -0.5406   0.9330  -1.2638   1.1961   0.5833   1.4909  284.138  138.796  401.061  182.817 -116.9225 229.5351 
1 1 1   29   21    1 o  526.176  187.695   2.1098   1.1471   2.9738   1.5700   1.1205   1.6801  571.206  216.778  427.217  194.479 143.9894 291.2298 
1 1 1   29   21    2 o  297.903  139.094  -0.1515   0.9410   0.5497   1.2478  -1.0762   1.4328  367.954  167.540  305.975  149.977 61.97961 224.8617 
1 1 1   29   21    3 o  355.983  154.366   0.7117   0.9354   0.2632   1.2161   1.3616   1.4639  338.275  158.006  410.054  184.598 -71.77872 242.9865 
1 1 1   29   21    4 o  244.694   81.942   0.3111   0.2172   0.1737   0.2950   0.4738   0.3209  222.124   90.850  291.605   99.604 -69.48032 134.8133 
1 1 1   29   21    5 o  436.559   70.896   0.9966   0.2750   0.9481   0.3545   1.0700   0.4359  405.410   96.426  416.595  111.512 -11.18472 147.4212 
1 1 1   29   21    6 o  469.084   96.120   1.2833   0.4009   1.0752   0.6080   1.4434   0.5333  377.152  136.398  464.917  122.830 -87.76431 183.5528 
1 1 1   29   23    0 o  328.569  151.891   0.1882   1.0798   0.2010   1.3765   0.1677   1.7412  348.673  164.501  364.541  175.525 -15.86868 240.5610 
1 1 1   29   23    1 o  269.714  132.256  -0.9584   1.1178  -0.8193   1.4954  -1.1345   1.6827  307.956  151.405  311.305  154.427 -3.348083 216.2663 
1 1 1   29   23    2 o  458.853  179.199   1.9460   1.0947   1.7502   1.3935   2.2616   1.7691  416.703  184.309  428.642  196.794 -11.93912 269.6253 
1 1 1   29   23    3 o  358.229  160.925   1.0075   1.1057   0.5278   1.3948   1.8187   1.8138  334.781  160.116  388.235  184.819 -53.45361 244.5307 
1 1 1   29   23    4 o  366.554  172.873   1.5177   1.5176   1.5177   1.5176   0.0000   0.0000  366.554  172.873  ?   ?  0.000000 172.8729 
1 1 1   29   25    0 o  319.950  158.300  -0.3967   1.7255   0.0000   0.0000  -0.3967   1.7255  ?   ?   319.950  158.300 0.000000 158.2999 
1 1 1   30    0    0 o  1214.21   82.548   7.0613   0.9125   7.0613   0.9125   7.0613   0.9125  1214.21   82.548  1214.21   82.548 0.000000 0.000000 
1 1 1   30    0    1 o  424.707  164.484   1.2135   0.6111   1.2135   0.6111   1.2135   0.6111  424.707  164.484  424.707  164.484 0.000000 0.000000 
1 1 1   30    0    2 o  246.207  146.758   0.3639   0.5852   0.3639   0.5852   0.3639   0.5852  246.207  146.758  246.207  146.758 0.000000 0.000000 
1 1 1   30    0    3 o  520.499  156.562   1.6270   0.6536   1.6270   0.6536   1.6270   0.6536  520.499  156.562  520.499  156.562 0.000000 0.000000 
1 1 1   30    0    4 o  878.927   95.176   3.7877   0.7469   3.7877   0.7469   3.7877   0.7469  878.927   95.176  878.927   95.176 0.000000 0.000000 
1 1 1   30    0    5 o  1491.47   76.508   10.532   1.0437   10.532   1.0437   10.532   1.0437  1491.47   76.508  1491.47   76.508 0.000000 0.000000 
1 1 1   30    0    6 o  491.337  219.992   1.8370   1.0596   1.8370   1.0596   1.8370   1.0596  491.337  219.992  491.337  219.992 0.000000 0.000000 
1 1 1   30    0    7 o  401.812  207.822   1.2976   0.9894   1.2976   0.9894   1.2976   0.9894  401.812  207.822  401.812  207.822 0.000000 0.000000 
1 1 1   30    0    8 o  363.341  157.528   0.9389   0.5439   0.9389   0.5439   0.9389   0.5439  363.341  157.528  363.341  157.528 0.000000 0.000000 
1 1 1   30    0    9 o  252.107  142.025   0.4542   0.5019   0.4542   0.5019   0.4542   0.5019  252.107  142.025  252.107  142.025 0.000000 0.000000 
1 1 1   30    0   10 o  188.586  120.495   0.0938   0.4667   0.0938   0.4667   0.0938   0.4667  188.586  120.495  188.586  120.495 0.000000 0.000000 
1 1 1   30    0   11 o  428.286  168.691   1.3086   0.6384   1.3086   0.6384   1.3086   0.6384  428.286  168.691  428.286  168.691 0.000000 0.000000 
1 1 1   30    0   12 o  1371.69   82.762   9.2113   1.0359   9.2113   1.0359   9.2113   1.0359  1371.69   82.762  1371.69   82.762 0.000000 0.000000 
1 1 1   30    0   13 o  434.334  207.653   1.7192   0.9530   1.7192   0.9530   1.7192   0.9530  434.334  207.653  434.334  207.653 0.000000 0.000000 
1 1 1   30    2    0 o  293.728  117.543   0.2726   0.4816   0.7494   0.7793  -0.0220   0.6126  403.142  152.793  281.505  123.439 121.6360 196.4249 
1 1 1   30    2    1 o  820.531   81.714   3.2684   0.6088   3.7153   1.0531   3.0442   0.7460  834.779  142.196  777.513  107.118 57.26611 178.0284 
1 1 1   30    2    2 o  969.188   91.454   4.6088   0.8060   4.4672   1.0788   4.7875   1.2124  925.878  130.229  947.594  143.542 -21.71600 193.8140 
1 1 1   30    2    3 o  617.868  105.954   1.9389   0.5807   1.9430   0.6813   1.9280   1.1103  607.322  126.045  570.283  185.042 37.03943 223.8927 
1 1 1   30    2    4 o  786.018   66.932   2.9577   0.4795   3.5959   0.7018   2.3991   0.6566  853.992   90.700  686.688  107.439 167.3035 140.6042 
1 1 1   30    2    5 o  1608.04   50.917   12.146   0.7534   12.191   1.0820   12.103   1.0497  1593.18   73.804  1589.20   71.783 3.977051 102.9555 
1 1 1   30    2    6 o  603.750   85.245   1.8122   0.4604   1.4616   0.6622   2.1403   0.6406  512.742  137.520  640.428  112.820 -127.6864 177.8760 
1 1 1   30    2    7 o  932.434   61.457   4.1657   0.5243   4.1295   0.7273   4.2049   0.7567  909.862   87.963  915.736   91.005 -5.873108 126.5673 
1 1 1   30    2    8 o  673.844   74.086   2.2409   0.4518   2.7303   0.6478   1.7776   0.6303  725.943   99.611  565.858  124.446 160.0856 159.4025 
1 1 1   30    2    9 o  321.149  107.484   0.5473   0.3737   0.9507   0.6091   0.3039   0.4731  401.513  137.219  284.088  115.499 117.4251 179.3574 
1 1 1   30    2   10 o  419.031  104.871   0.9852   0.4034   0.1769   0.5560   1.8839   0.5862  273.598  118.823  575.193  114.782 -301.5958 165.2083 
1 1 1   30    2   11 o  620.183  104.057   2.1796   0.5728   1.6778   1.0231   2.4086   0.6913  442.502  173.122  628.621  123.914 -186.1195 212.8984 
1 1 1   30    2   12 o  397.501  130.128   1.1082   0.5487   2.8032   1.1270   0.5816   0.6281  521.683  186.047  308.812  129.952 212.8718 226.9389 
1 1 1   30    4    0 o  370.533  115.500   0.6953   0.4363   0.7075   0.6046   0.6820   0.6303  382.737  136.293  380.552  138.684 2.184662 194.4455 
1 1 1   30    4    1 o  160.641   78.225  -0.6235   0.3716  -1.2041   0.5215  -0.0245   0.5297  171.189   85.098  262.945  115.053 -91.75566 143.1044 
1 1 1   30    4    2 o  153.873   75.366  -0.6637   0.3598  -0.1049   0.5377  -1.1169   0.4842  255.443  113.660  165.260   82.126 90.18330 140.2255 
1 1 1   30    4    3 o  1072.92   67.373   5.4897   0.6618   7.8994   1.2959   4.6396   0.7697  1249.05  114.006  974.760   86.720 274.2918 143.2397 
1 1 1   30    4    4 o  500.607  105.287   1.2881   0.4696   1.0699   0.8378   1.3881   0.5671  448.206  160.352  512.000  122.086 -63.79404 201.5384 
1 1 1   30    4    5 o  923.073   70.705   4.1016   0.5960   3.4129   0.9960   4.4857   0.7438  791.520  141.969  956.062   85.455 -164.5413 165.7036 
1 1 1   30    4    6 o  150.672   73.428  -0.5519   0.3292  -0.8776   0.5132  -0.3241   0.4292  184.343   90.231  201.910   94.162 -17.56686 130.4150 
1 1 1   30    4    7 o  673.198   75.246   2.2274   0.4581   2.4415   0.6633   2.0321   0.6335  682.634  109.287  617.128  115.818 65.50586 159.2403 
1 1 1   30    4    8 o  411.189  104.404   0.9084   0.3957   0.6268   0.5765   1.1594   0.5443  350.974  131.768  452.631  126.025 -101.6571 182.3323 
1 1 1   30    4    9 o  390.833  106.244   0.8432   0.3921   0.9015   0.5966   0.7989   0.5203  391.253  135.701  373.676  126.821 17.57605 185.7368 
1 1 1   30    4   10 o  234.179  100.742   0.1038   0.3921   0.3423   0.5999  -0.0741   0.5180  297.826  126.253  238.379  108.313 59.44699 166.3475 
1 1 1   30    4   11 o  277.828  107.596   0.3979   0.3921   0.1410   0.5318   0.7040   0.5804  257.311  113.831  336.406  130.735 -79.09482 173.3467 
1 1 1   30    4   12 o  472.588  123.119   1.4797   0.5408   0.2460   0.8888   2.2048   0.6814  289.615  135.211  568.529  132.671 -278.9138 189.4294 
1 1 1   30    6    0 o  1050.01   74.105   5.2787   0.7114   4.6844   0.8158   7.1648   1.4533  978.788   91.647  1172.31  137.327 -193.5240 165.0994 
1 1 1   30    6    1 o  439.779  126.929   1.0157   0.5422   1.1287   0.6341   0.7086   1.0454  460.270  138.455  422.460  171.710 37.81018 220.5763 
1 1 1   30    6    2 o  354.914  109.981   0.6354   0.3963   0.8797   0.5707   0.4079   0.5506  411.656  132.573  326.340  127.192 85.31589 183.7205 
1 1 1   30    6    3 o  332.430  109.648   0.5434   0.3893   0.9138   0.6048   0.2814   0.5086  417.638  136.617  299.029  120.396 118.6091 182.0968 
1 1 1   30    6    4 f  300.017  105.330   0.4174   0.3600   1.3280   0.6272  -0.0299   0.4396  494.530  134.340  238.984  104.683 255.5451 170.3112 
1 1 1   30    6    5 o  549.206   86.371   1.5035   0.4221   1.3770   0.6590   1.5916   0.5496  498.660  138.615  551.903  112.049 -53.24304 178.2389 
1 1 1   30    6    6 o  577.715   91.971   1.6880   0.4725   2.2753   0.9104   1.4715   0.5528  622.455  158.520  524.298  117.497 98.15723 197.3171 
1 1 1   30    6    7 o  1039.31   58.733   5.1675   0.5594   5.4343   0.8178   4.9329   0.7668  1043.66   85.919  995.332   84.528 48.32935 120.5281 
1 1 1   30    6    8 o  229.901   98.097   0.0776   0.3663   0.2126   0.5646  -0.0205   0.4814  287.499  122.206  243.397  107.960 44.10219 163.0637 
1 1 1   30    6    9 o  295.315  107.684   0.4401   0.3801   0.9826   0.5759   0.0213   0.5060  403.998  133.369  249.570  110.688 154.4279 173.3183 
1 1 1   30    6   10 o  442.132  119.869   1.1767   0.4999   0.8973   0.8748   1.3121   0.6092  373.104  154.912  451.359  135.687 -78.25476 205.9337 
1 1 1   30    6   11 o  360.760  124.034   0.8463   0.4979  -0.2747   0.8170   1.5086   0.6280  259.108  123.539  468.111  137.034 -209.0022 184.4998 
1 1 1   30    6   12 o  1136.21   61.796   6.5759   0.6437   7.9340   0.9417   5.3852   0.8818  1195.48   86.183  952.697  102.183 242.7874 133.6740 
1 1 1   30    8    0 o  673.729   80.231   2.2012   0.4876   3.0615   0.7177   1.4638   0.6645  784.791  101.784  523.847  136.486 260.9435 170.2601 
1 1 1   30    8    1 o  352.697  113.275   0.6196   0.4169   0.9831   0.6326   0.3406   0.5543  433.196  139.581  317.167  126.373 116.0288 188.2891 
1 1 1   30    8    2 o  827.195   84.455   3.3348   0.6338   3.7079   0.7387   2.2934   1.2341  866.974   94.107  615.264  194.608 251.7096 216.1673 
1 1 1   30    8    3 o  365.921  126.967   0.6609   0.5223   0.8557   0.5915  -0.0292   1.1130  405.901  135.217  360.964  161.854 44.93774 210.9033 
1 1 1   30    8    4 o  720.692   97.606   2.6085   0.6306   2.2779   0.7127   3.8010   1.3536  657.665  122.270  790.927  188.641 -133.2612 224.8009 
1 1 1   30    8    5 o  342.099  105.408   0.6010   0.3646   0.8852   0.5961   0.4312   0.4608  406.347  135.760  313.322  117.778 93.02463 179.7287 
1 1 1   30    8    6 o  391.423  102.760   0.8070   0.3748   0.5691   0.5990   0.9602   0.4806  348.844  133.534  420.544  118.893 -71.70020 178.7926 
1 1 1   30    8    7 o  470.070  108.741   1.1907   0.4610   1.0619   0.9087   1.2353   0.5350  426.845  164.217  470.472  122.403 -43.62756 204.8163 
1 1 1   30    8    8 o  520.998  108.139   1.4814   0.5015   0.9699   0.9442   1.6824   0.5918  405.087  163.704  545.536  121.058 -140.4488 203.6023 
1 1 1   30    8    9 o  512.149  109.943   1.4778   0.5026  -0.0806   0.8166   2.4283   0.6377  286.780  132.402  661.633  108.516 -374.8535 171.1905 
1 1 1   30    8   10 o  1127.71   60.276   6.2885   0.6232   5.5995   0.8759   6.9950   0.8869  1013.58   95.025  1152.41   84.220 -138.8282 126.9753 
1 1 1   30    8   11 o  355.177  113.859   0.8018   0.4213   0.5358   0.5964   1.0668   0.5953  303.683  127.149  384.754  135.433 -81.07059 185.7653 
1 1 1   30    8   12 o  378.775  134.509   1.1181   0.5885   1.0038   0.8424   1.2269   0.8224  338.909  146.727  363.674  150.531 -24.76447 210.2099 
1 1 1   30   10    0 o  976.363   60.820   4.5070   0.5437   4.3350   0.7567   4.6905   0.7817  943.719   88.166  982.389   87.384 -38.67047 124.1341 
1 1 1   30   10    1 o  335.032  109.039   0.5519   0.3854   0.1035   0.5506   0.9829   0.5398  283.276  120.550  432.724  127.153 -149.4487 175.2149 
1 1 1   30   10    2 o  453.254   90.865   1.0321   0.3658   2.2120   0.6411   0.4628   0.4454  658.578  109.652  320.872  116.631 337.7061 160.0823 
1 1 1   30   10    3 o  1409.14   49.916   9.3153   0.6472   9.1150   0.9640   9.4796   0.8734  1374.33   76.532  1410.46   67.293 -36.13025 101.9090 
1 1 1   30   10    4 o  551.737   79.282   1.5012   0.3909   1.1691   0.6217   1.7184   0.5028  460.533  136.766  581.772   97.363 -121.2393 167.8821 
1 1 1   30   10    5 o  668.224   97.341   2.2746   0.5809   2.6766   0.6668   1.0084   1.1833  721.436  103.408  442.208  181.543 279.2284 208.9289 
1 1 1   30   10    6 o  642.733  123.052   2.2578   0.7012   1.7678   0.8224   3.5636   1.3424  539.503  156.498  723.894  196.499 -184.3917 251.2037 
1 1 1   30   10    7 o  397.445  109.817   0.8683   0.4150   1.8417   0.8274   0.5412   0.4796  539.842  157.080  326.852  120.687 212.9900 198.0895 
1 1 1   30   10    8 o  796.307   71.677   3.1642   0.5196   3.4323   0.7822   2.9526   0.6951  789.865  110.654  737.481  105.429 52.38409 152.8386 
1 1 1   30   10    9 o  816.843   83.573   3.4849   0.6193   2.8112   1.1265   3.7767   0.7414  585.504  186.008  831.757   98.806 -246.2533 210.6222 
1 1 1   30   10   10 o  342.993  113.586   0.7254   0.4176   0.3501   0.5862   1.1121   0.5950  285.060  122.905  400.142  135.622 -115.0816 183.0271 
1 1 1   30   10   11 o  410.392  120.494   1.1330   0.4849   1.1872   0.6233   1.0499   0.7716  392.656  138.543  356.449  146.498 36.20764 201.6325 
1 1 1   30   12    0 o  245.144  101.489   0.1176   0.3739  -0.3962   0.5215   0.6610   0.5364  223.293  104.021  369.153  128.637 -145.8607 165.4322 
1 1 1   30   12    1 o  950.170   60.690   4.2800   0.5279   4.8111   0.7559   3.7746   0.7374  994.987   83.334  874.863   93.028 120.1239 124.8950 
1 1 1   30   12    2 o  737.775   69.573   2.6192   0.4667   2.4234   0.6949   2.7801   0.6300  685.145  114.247  747.540   93.642 -62.39441 147.7205 
1 1 1   30   12    3 o  527.137   86.532   1.3886   0.4052   2.3594   0.8343   1.0889   0.4635  652.396  142.922  454.598  111.620 197.7982 181.3441 
1 1 1   30   12    4 o  316.031  104.317   0.5006   0.3523   0.5088   0.7843   0.4986   0.3943  361.004  147.953  318.581  110.337 42.42245 184.5650 
1 1 1   30   12    5 o  669.467   71.937   2.1974   0.4362   1.8495   0.7978   2.3457   0.5209  557.525  151.548  684.200   84.544 -126.6756 173.5348 
1 1 1   30   12    6 o  288.027  102.542   0.4045   0.3422   0.5978   0.5716   0.2965   0.4273  343.940  130.732  277.885  110.880 66.05566 171.4210 
1 1 1   30   12    7 o  221.006  101.500  -0.1792   0.4711  -0.2006   0.5194  -0.0796   1.1192  229.852  105.936  326.256  152.118 -96.40373 185.3707 
1 1 1   30   12    8 o  794.278   75.285   3.2101   0.5437   2.3870   0.8456   3.7901   0.7098  597.665  153.082  843.116   93.045 -245.4509 179.1407 
1 1 1   30   12    9 o  304.174  112.546   0.5289   0.4176   0.7057   0.5877   0.3487   0.5933  336.302  131.314  288.304  123.974 47.99820 180.5905 
1 1 1   30   12   10 o  266.369  117.275   0.2651   0.5579   0.9859   0.8931  -0.1962   0.7144  350.479  151.405  245.637  116.663 104.8420 191.1378 
1 1 1   30   12   11 o  246.610  122.364  -0.7461   1.0590   0.0000   0.0000  -0.7461   1.0590  ?   ?   246.610  122.364 0.000000 122.3643 
1 1 1   30   14    0 o  781.657   66.025   2.9194   0.4704   2.8417   0.7525   2.9692   0.6028  745.581  113.242  778.817   85.518 -33.23584 141.9057 
1 1 1   30   14    1 o  476.559   92.889   1.1478   0.3927   0.9903   0.6872   1.2242   0.4785  430.210  145.755  484.889  109.798 -54.67902 182.4834 
1 1 1   30   14    2 o  1525.22   51.862   10.954   0.7279   12.044   1.2138   10.342   0.9095  1568.07   84.432  1470.58   67.215 97.49121 107.9191 
1 1 1   30   14    3 o  762.935   58.597   2.7816   0.4082   2.4434   0.6874   2.9658   0.5074  681.524  113.606  781.060   71.390 -99.53693 134.1741 
1 1 1   30   14    4 o  229.374   92.767   0.1533   0.3035  -0.4661   0.5433   0.4342   0.3659  217.692  102.900  299.363  106.085 -81.67178 147.7918 
1 1 1   30   14    5 o  818.595   62.455   3.2500   0.4669   2.8645   0.6868   3.5811   0.6366  736.019  104.328  843.362   83.115 -107.3425 133.3879 
1 1 1   30   14    6 o  341.919  107.481   0.6435   0.3769   0.3589   0.5877   0.8424   0.4913  304.588  126.758  381.765  123.013 -77.17654 176.6343 
1 1 1   30   14    7 o  461.200  103.663   1.1912   0.4292   0.9777   0.6018   1.4123   0.6124  393.315  136.296  473.917  134.296 -80.60242 191.3430 
1 1 1   30   14    8 o  1063.35   87.310   6.0469   0.8468   6.0469   0.8468   0.0000   0.0000  1063.35   87.310  ?   ?  0.000000 87.31012 
1 1 1   30   14    9 f  207.730   94.075  -0.0255   0.3868   0.1982   0.5705  -0.2159   0.5263  261.896  116.764  216.878  102.137 45.01744 155.1312 
1 1 1   30   14   10 o  280.711  133.181   0.1954   0.9263  -0.1826   1.2572   0.6445   1.3701  281.250  138.380  315.350  152.782 -34.09915 206.1344 
1 1 1   30   16    0 o  348.280   95.542   0.6208   0.3154   0.4539   0.4909   0.7381   0.4116  322.380  121.484  376.407  111.161 -54.02713 164.6670 
1 1 1   30   16    1 o  290.249   94.010   0.4153   0.2867   0.5483   0.5022   0.3511   0.3492  338.732  123.736  281.676  103.135 57.05643 161.0817 
1 1 1   30   16    2 o  1141.26   68.446   6.2983   0.7155   6.7239   0.7882   4.3069   1.7049  1175.20   73.256  760.935  226.599 414.2708 238.1457 
1 1 1   30   16    3 o  231.620   89.933   0.1986   0.2745   0.5490   0.5355   0.0737   0.3197  335.736  126.798  218.392   92.348 117.3444 156.8627 
1 1 1   30   16    4 o  967.592   54.770   4.4894   0.4856   4.5930   0.7331   4.4084   0.6483  952.817   84.490  941.987   75.427 10.82947 113.2603 
1 1 1   30   16    5 o  297.487  101.340   0.4644   0.3322   1.1496   0.5819   0.1331   0.4046  434.872  133.033  243.527  103.484 191.3450 168.5432 
1 1 1   30   16    6 o  295.600  104.862   0.4683   0.3576   0.2676   0.5255   0.6414   0.4879  278.030  118.031  334.131  121.981 -56.10086 169.7367 
1 1 1   30   16    7 o  769.604   62.123   2.9606   0.4362   3.4436   0.6221   2.4936   0.6118  803.022   85.502  661.984  103.850 141.0386 134.5185 
1 1 1   30   16    8 o  954.084   68.392   4.6885   0.5964   5.0512   0.6515   2.8102   1.4824  984.096   72.456  455.366  195.893 528.7295 208.8634 
1 1 1   30   16    9 o  344.359  168.798   1.4920   1.8155   0.0000   0.0000   1.4920   1.8155  ?   ?   344.359  168.798 0.000000 168.7980 
1 1 1   30   18    0 o  866.282   49.227   3.5481   0.3908   4.6354   0.6338   2.8812   0.4964  976.873   70.991  769.178   70.931 207.6946 100.3537 
1 1 1   30   18    1 o  701.694   50.600   2.3414   0.3245   1.9623   0.5107   2.5981   0.4203  619.208   92.468  733.012   62.918 -113.8043 111.8441 
1 1 1   30   18    2 o  430.690   73.778   0.9319   0.2819   0.1682   0.4784   1.3379   0.3488  266.781  112.901  516.780   75.596 -249.9991 135.8726 
1 1 1   30   18    3 o  530.158   70.485   1.4031   0.3353   2.0412   0.5991   1.1120   0.4046  609.594  110.899  453.900   99.614 155.6945 149.0691 
1 1 1   30   18    4 o  773.995   54.883   2.9038   0.3883   2.5000   0.5608   3.2760   0.5383  688.887   90.665  806.726   73.321 -117.8389 116.6026 
1 1 1   30   18    5 o  222.505   90.125   0.1754   0.2869   0.0330   0.4114   0.3103   0.4003  226.374  100.134  266.069  106.914 -39.69447 146.4836 
1 1 1   30   18    6 o  483.721   82.476   1.2569   0.3539   1.0595   0.4597   1.5443   0.5546  413.126  116.111  495.719  122.330 -82.59222 168.6607 
1 1 1   30   18    7 o  785.400   59.136   3.1030   0.4242   2.9814   0.5365   3.3060   0.6931  745.123   79.468  750.736  103.059 -5.613098 130.1391 
1 1 1   30   20    0 o  410.353  167.443   0.9691   0.9990   2.0075   1.3535  -0.2735   1.4807  512.082  199.462  356.579  168.945 155.5027 261.3950 
1 1 1   30   20    1 o  510.537  184.618   1.9512   1.1139   0.4155   1.4444   4.2046   1.7496  380.461  175.806  667.758  232.344 -287.2971 291.3614 
1 1 1   30   20    2 o  439.105   88.679   1.0235   0.3460   1.0541   0.3538   0.3540   1.6550  445.284   89.449  376.568  178.473 68.71667 199.6340 
1 1 1   30   20    3 o  218.491   80.108   0.2180   0.2108   0.3032   0.3019   0.1369   0.2944  253.100   95.286  217.262   90.009 35.83830 131.0764 
1 1 1   30   20    4 o  217.592   85.456   0.1937   0.2501  -0.3821   0.3405   0.8683   0.3685  162.204   77.978  387.284  102.003 -225.0796 128.3947 
1 1 1   30   20    5 o  339.564   91.708   0.6585   0.2933   0.7724   0.3926   0.5146   0.4412  354.259  109.411  297.468  114.434 56.79150 158.3226 
1 1 1   30   20    6 o  289.031  116.580   0.4934   0.4779   0.5765   1.2869   0.4801   0.5147  320.588  153.452  288.308  119.188 32.27979 194.3017 
1 1 1   30   22    0 o  571.196  190.895   2.6855   1.1786   3.3102   1.5637   1.8636   1.7935  572.054  216.523  444.975  201.935 127.0789 296.0739 
1 1 1   30   22    1 o  271.721  132.260  -0.7727   1.0590  -0.8446   1.4039  -0.6778   1.6133  301.769  148.024  321.916  158.062 -20.14679 216.5521 
1 1 1   30   22    2 o  339.441  155.343   0.5636   1.0903   1.6129   1.4844  -0.6656   1.6066  407.101  184.330  313.135  154.520 93.96600 240.5291 
1 1 1   30   22    3 o  192.767   97.920  -2.4469   0.9170  -1.0478   1.2714  -3.9637   1.3238  270.752  134.298  212.833  108.927 57.91957 172.9188 
1 1 1   30   22    4 o  685.193   80.772   2.5358   0.4995   2.5358   0.4995   0.0000   0.0000  685.193   80.772  ?   ?  0.000000 80.77187 
1 1 1   30   24    0 o  354.313  171.886   0.5609   1.7492   0.0000   0.0000   0.5609   1.7492  ?   ?   354.313  171.886 0.000000 171.8859 
1 1 1   31    1    0 o  370.484  119.481   0.6841   0.4635   0.3114   0.6479   1.0749   0.6633  329.785  134.735  452.413  142.626 -122.6284 196.2029 
1 1 1   31    1    1 o  1181.69   61.359   6.5966   0.6649   5.8094   0.8907   7.5872   0.9992  1092.88   89.353  1251.22   87.336 -158.3445 124.9462 
1 1 1   31    1    2 f  1410.82   66.223   9.4285   0.8597   9.3335   1.0359   9.6386   1.5410  1391.59   81.249  1374.98  123.105 16.61060 147.4998 
1 1 1   31    1    3 o  407.710  126.882   0.8659   0.5268   0.4040   0.6041   2.3318   1.0762  333.072  132.177  631.323  177.730 -298.2512 221.4923 
1 1 1   31    1    4 o  619.301   88.265   1.9003   0.4888   2.9823   0.7425   1.0730   0.6493  765.713  108.410  445.648  141.177 320.0646 177.9992 
1 1 1   31    1    5 o  664.862   82.183   2.1765   0.4921   2.1260   0.7096   2.2233   0.6830  630.298  126.738  650.528  118.465 -20.23029 173.4837 
1 1 1   31    1    6 o  892.563   77.700   3.9000   0.6318   3.2295   1.1964   4.1593   0.7440  721.312  180.644  913.044   89.713 -191.7323 201.6942 
1 1 1   31    1    7 o  327.550  123.580   0.5071   0.5084   1.2801   0.9955   0.2344   0.5913  458.180  172.918  298.063  125.790 160.1169 213.8312 
1 1 1   31    1    8 o  457.541   94.331   1.1028   0.3839   1.1678   0.5494   1.0407   0.5368  449.885  127.101  424.857  127.291 25.02853 179.8824 
1 1 1   31    1    9 o  423.800  109.686   1.0150   0.4310   1.0254   0.6528   1.0070   0.5740  405.068  141.863  406.500  133.100 -1.432770 194.5273 
1 1 1   31    1   10 o  379.603  107.344   0.8391   0.3917   1.3179   0.5664   0.4004   0.5422  456.834  129.053  295.033  122.182 161.8015 177.7166 
1 1 1   31    1   11 o  266.204  107.987   0.3454   0.4125   0.7901   0.6042  -0.0430   0.5647  341.775  133.224  239.572  110.429 102.2039 173.0408 
1 1 1   31    1   12 o  543.582  128.735   2.0354   0.6340   2.4579   0.9501   1.6963   0.8512  502.470  171.377  421.931  159.738 80.53818 234.2779 
1 1 1   31    3    0 o  341.438  127.244   0.4989   0.5356   1.4219   0.9367   0.0505   0.6529  510.409  170.174  299.175  129.348 211.2341 213.7522 
1 1 1   31    3    1 o  853.216   84.565   3.5326   0.6552   3.1810   1.1552   3.6993   0.7955  753.052  170.656  863.396  102.106 -110.3440 198.8694 
1 1 1   31    3    2 o  230.285  104.546  -0.2106   0.4813  -0.3136   0.8614  -0.1638   0.5803  303.644  138.624  259.637  116.614 44.00751 181.1508 
1 1 1   31    3    3 o  819.063   71.308   3.2207   0.5321   2.5618   0.7396   3.9276   0.7660  704.770  118.235  891.498   94.834 -186.7281 151.5685 
1 1 1   31    3    4 o  460.838  105.658   1.0980   0.4385   1.9961   0.6697   0.4240   0.5801  615.653  122.519  330.768  130.076 284.8851 178.6913 
1 1 1   31    3    5 o  660.069   77.289   2.1314   0.4605   1.7921   0.6538   2.4656   0.6488  576.950  126.630  694.376  104.809 -117.4262 164.3774 
1 1 1   31    3    6 o  1155.38   58.978   6.3637   0.6249   6.0377   0.8759   6.7019   0.8919  1103.06   86.998  1165.51   83.725 -62.45044 120.7415 
1 1 1   31    3    7 o  552.307   92.466   1.5669   0.4533   2.6814   0.6910   0.7248   0.6006  712.653  108.825  370.415  135.320 342.2378 173.6504 
1 1 1   31    3    8 o  501.133   93.054   1.3161   0.4133   1.7879   0.6161   0.9299   0.5573  562.722  122.456  400.431  131.157 162.2907 179.4373 
1 1 1   31    3    9 o  760.174   72.038   2.8983   0.4979   3.4359   0.7333   2.4385   0.6782  796.606  102.405  655.763  116.668 140.8426 155.2359 
1 1 1   31    3   10 o  312.198  112.506   0.5538   0.4131   0.7172   0.6315   0.4316   0.5463  343.138  135.467  298.597  123.054 44.54105 183.0124 
1 1 1   31    3   11 o  393.218  126.282   1.0443   0.5181   2.4081   0.9995   0.5431   0.6059  512.000  175.757  305.910  128.124 206.0903 217.5003 
1 1 1   31    3   12 o  317.896  135.527   0.7451   0.6981   0.0000   0.0000   0.7451   0.6981  ?   ?   317.896  135.527 0.000000 135.5267 
1 1 1   31    5    0 o  587.916   94.324   1.7119   0.4930   2.8028   0.7491   0.8780   0.6549  745.491  112.717  417.398  142.278 328.0933 181.5161 
1 1 1   31    5    1 o  319.382  117.098   0.4430   0.4503   1.1104   0.7140   0.0022   0.5803  457.839  148.375  278.076  121.082 179.7633 191.5098 
1 1 1   31    5    2 o  585.389   92.437   1.7015   0.4814   1.5632   0.6683   1.8507   0.6941  540.477  134.818  591.158  131.034 -50.68085 188.0048 
1 1 1   31    5    3 o  378.638  114.625   0.7376   0.4336   0.8615   0.6877   0.6559   0.5587  411.410  145.477  368.104  131.027 43.30554 195.7840 
1 1 1   31    5    4 o  671.561   90.131   2.2408   0.5429   1.8168   0.9944   2.4209   0.6480  553.364  174.654  689.469  105.497 -136.1048 204.0430 
1 1 1   31    5    5 f  898.325   76.971   3.9325   0.6301   3.2430   1.1007   4.2687   0.7685  745.183  164.885  925.873   91.395 -180.6906 188.5211 
1 1 1   31    5    6 f  949.943   62.638   4.3326   0.5444   4.1484   0.7923   4.4975   0.7494  904.096   96.735  950.248   86.665 -46.15228 129.8780 
1 1 1   31    5    7 o  1198.85   55.504   6.8517   0.6123   7.5447   0.9272   6.3156   0.8154  1230.38   82.369  1128.83   78.998 101.5522 114.1281 
1 1 1   31    5    8 f  156.645   76.050  -0.5085   0.3442  -0.2843   0.5714  -0.6362   0.4311  234.663  109.173  173.436   84.413 61.22621 138.0012 
1 1 1   31    5    9 o  282.220  108.824   0.3815   0.3998  -0.0260   0.5751   0.7624   0.5561  254.092  114.922  358.388  130.312 -104.2961 173.7479 
1 1 1   31    5   10 o  483.396  121.914   1.4483   0.5422   0.1975   0.8869   2.1947   0.6851  301.874  138.869  590.212  129.694 -288.3382 190.0137 
1 1 1   31    5   11 o  782.585   88.558   3.3931   0.6265   4.3389   1.1605   3.0042   0.7442  721.121  176.359  687.997  122.029 33.12384 214.4617 
1 1 1   31    5   12 o  262.362  123.612   0.1000   0.7724   0.1000   0.7724   0.0000   0.0000  262.362  123.612  ?   ?  0.000000 123.6115 
1 1 1   31    7    0 o  717.538  102.495   2.5629   0.6575   2.8520   0.7793   1.8486   1.2249  749.591  116.784  566.854  194.569 182.7372 226.9262 
1 1 1   31    7    1 o  1323.02   69.337   8.3280   0.8412   7.6410   0.9816   10.227   1.6320  1256.45   85.410  1414.24  126.759 -157.7822 152.8484 
1 1 1   31    7    2 o  296.474  112.224   0.3525   0.4201  -0.3691   0.5781   1.1600   0.6115  239.527  110.871  465.679  134.913 -226.1522 174.6254 
1 1 1   31    7    3 o  707.444   77.350   2.4319   0.4953   2.6139   0.7244   2.2721   0.6788  712.758  114.311  662.935  115.475 49.82312 162.4853 
1 1 1   31    7    4 o  835.537   68.104   3.3564   0.5191   3.3229   0.7902   3.3818   0.6884  805.156  109.504  824.298   92.340 -19.14166 143.2404 
1 1 1   31    7    5 o  704.935   73.442   2.4238   0.4694   2.5429   0.7070   2.3299   0.6277  695.980  114.367  672.148  104.918 23.83197 155.2013 
1 1 1   31    7    6 o  189.693   88.186  -0.2611   0.3718  -0.1390   0.7225  -0.3050   0.4335  282.129  128.085  203.301   94.752 78.82800 159.3230 
1 1 1   31    7    7 o  298.626  112.443   0.4173   0.4204   2.2160   0.9464  -0.0248   0.4692  583.614  167.481  240.027  106.517 343.5876 198.4836 
1 1 1   31    7    8 o  400.682  108.477   0.9003   0.4098   0.4278   0.6095   1.2900   0.5535  315.003  129.919  467.498  125.870 -152.4954 180.8931 
1 1 1   31    7    9 o  321.197  120.266   0.5778   0.4796   0.0255   0.8509   0.8350   0.5806  293.446  135.367  366.409  133.169 -72.96292 189.8894 
1 1 1   31    7   10 o  354.440  115.640   0.7831   0.4334   1.6003   0.6701   0.1952   0.5683  476.354  142.102  265.852  117.639 210.5020 184.4771 
1 1 1   31    7   11 o  341.652  124.594   0.8101   0.5089  -0.4535   0.8066   1.6457   0.6559  239.695  116.383  468.450  140.782 -228.7556 182.6596 
1 1 1   31    9    0 o  1803.97   50.722   15.218   0.8420   15.321   1.1857   15.113   1.1958  1795.65   71.760  1782.48   72.906 13.16431 102.2971 
1 1 1   31    9    1 o  589.320   88.443   1.7137   0.4648   1.8638   0.6757   1.5788   0.6404  595.525  127.178  545.912  129.442 49.61371 181.4649 
1 1 1   31    9    2 o  698.913   75.082   2.3642   0.4753   2.3779   0.7164   2.3534   0.6353  677.034  119.351  682.245  104.522 -5.211426 158.6484 
1 1 1   31    9    3 o  218.483  101.868  -0.3723   0.5019   0.2301   0.5721  -2.3836   1.0454  301.126  125.173  234.545  117.204 66.58167 171.4795 
1 1 1   31    9    4 o  505.469  130.850   1.4038   0.6134   0.9821   0.6885   3.0249   1.3499  424.272  145.861  677.139  201.630 -252.8668 248.8573 
1 1 1   31    9    5 o  462.705   99.366   1.1164   0.4104   1.8113   0.6648   0.6885   0.5217  572.160  129.322  363.507  126.855 208.6527 181.1529 
1 1 1   31    9    6 o  239.523   97.180   0.1740   0.3342  -0.1030   0.6123   0.2915   0.3988  262.828  118.752  273.535  107.757 -10.70712 160.3547 
1 1 1   31    9    7 o  233.004  101.224   0.0499   0.4037  -0.8108   0.7908   0.3533   0.4695  242.186  117.027  290.785  116.165 -48.59969 164.8929 
1 1 1   31    9    8 o  736.197  104.954   2.9765   0.6909   0.0000   0.0000   2.9765   0.6909  ?   ?   736.197  104.954 0.000000 104.9542 
1 1 1   31    9    9 o  434.613  111.431   1.1230   0.4477   1.0679   0.6311   1.1788   0.6353  396.131  139.443  414.989  140.142 -18.85748 197.6972 
1 1 1   31    9   10 o  273.058  110.850   0.3838   0.4350   1.1141   0.6293  -0.2847   0.6021  388.689  138.984  225.110  106.967 163.5786 175.3810 
1 1 1   31   11    0 o  818.471   68.370   3.1991   0.5102   2.5542   0.7086   3.8933   0.7352  709.014  112.361  891.544   90.888 -182.5300 144.5190 
1 1 1   31   11    1 o  918.018   62.429   4.0045   0.5242   4.1835   0.7815   3.8582   0.7068  920.745   93.543  887.545   87.693 33.20013 128.2200 
1 1 1   31   11    2 o  1451.47   50.964   9.8942   0.6807   11.363   1.0620   8.8700   0.8868  1537.28   75.075  1359.62   71.129 177.6654 103.4195 
1 1 1   31   11    3 o  321.063  106.259   0.5135   0.3655   1.0698   0.6785   0.2862   0.4338  439.938  144.748  283.496  112.160 156.4422 183.1168 
1 1 1   31   11    4 o  609.438   84.027   1.8550   0.4587   1.7233   0.8806   1.9041   0.5373  532.886  163.753  608.461   99.405 -75.57397 191.5626 
1 1 1   31   11    5 o  445.493  142.689   1.1615   0.6618   1.0536   0.7890   1.4177   1.2157  424.981  155.122  469.448  187.122 -44.46722 243.0584 
1 1 1   31   11    6 o  1079.10   78.776   5.8237   0.7768   5.2360   0.8692   8.1562   1.7316  1004.95   95.124  1127.24  172.426 -122.2918 196.9243 
1 1 1   31   11    7 o  544.917   92.638   1.5767   0.4479   1.1650   0.7013   1.8603   0.5820  424.690  147.138  573.906  114.231 -149.2159 186.2746 
1 1 1   31   11    8 o  260.274  106.619   0.2707   0.4070  -0.4305   0.6116   0.8282   0.5453  224.373  106.953  364.263  129.471 -139.8896 167.9332 
1 1 1   31   11    9 o  352.415  130.017   0.8300   0.5564   0.3783   0.9601   1.0584   0.6828  312.376  143.991  380.076  143.267 -67.69965 203.1225 
1 1 1   31   11   10 o  384.896  120.666   1.0063   0.4755   1.0809   0.6618   0.9268   0.6835  369.991  140.666  346.358  139.524 23.63367 198.1259 
1 1 1   31   13    0 o  1793.97   55.572   15.146   0.9174   16.559   1.3650   13.983   1.2389  1853.61   80.027  1704.32   78.996 149.2897 112.4490 
1 1 1   31   13    1 o  918.499   67.520   4.0438   0.5667   3.9851   0.8973   4.0828   0.7308  881.062  113.308  910.203   88.372 -29.14081 143.6951 
1 1 1   31   13    2 o  1012.87   65.845   4.9213   0.6103   4.3608   0.9834   5.2726   0.7784  911.623  120.159  1036.88   82.262 -125.2553 145.6205 
1 1 1   31   13    3 o  625.034   71.877   1.9112   0.4059   2.5462   0.7014   1.5915   0.4976  694.513  113.685  553.910  101.373 140.6028 152.3181 
1 1 1   31   13    4 o  177.109   80.140  -0.1128   0.2800   1.1526   0.6141  -0.4450   0.3147  446.591  136.664  153.101   73.942 293.4903 155.3846 
1 1 1   31   13    5 o  206.259   89.206   0.0246   0.3108  -0.3498   0.5461   0.2039   0.3779  224.655  105.240  252.181  102.951 -27.52554 147.2225 
1 1 1   31   13    6 o  868.713   62.782   3.7002   0.4985   2.9425   0.7576   4.2786   0.6619  721.420  118.228  918.258   79.110 -196.8387 142.2543 
1 1 1   31   13    7 o  668.173  123.615   2.6571   0.7320   2.6571   0.7320   0.0000   0.0000  668.173  123.615  ?   ?  0.000000 123.6147 
1 1 1   31   13    8 o  302.498  114.837   0.5262   0.4407  -0.1782   0.6168   1.2607   0.6298  238.938  111.903  423.242  139.467 -184.3049 178.8105 
1 1 1   31   13    9 o  357.309  115.670   0.8341   0.4340   1.0473   0.6320   0.6437   0.5972  372.003  138.298  314.212  128.978 57.79083 189.1077 
1 1 1   31   15    0 o  1216.69   50.110   6.9561   0.5610   7.1440   0.8083   6.7814   0.7792  1217.34   72.491  1186.54   71.709 30.80225 101.9664 
1 1 1   31   15    1 o  775.486   59.048   2.8722   0.4182   3.7646   0.6865   2.3457   0.5273  870.861   86.829  686.824   85.270 184.0370 121.6969 
1 1 1   31   15    2 o  575.008   69.949   1.6188   0.3625   2.2110   0.6424   1.3422   0.4390  645.916  112.152  508.984   97.290 136.9313 148.4699 
1 1 1   31   15    3 o  207.549   86.863   0.0792   0.2782   0.8900   0.5744  -0.1693   0.3180  396.954  133.256  182.245   83.583 214.7081 157.2995 
1 1 1   31   15    4 o  342.569  103.064   0.6352   0.3514   1.0334   0.6246   0.4509   0.4250  415.430  138.966  303.663  113.308 111.7673 179.3049 
1 1 1   31   15    5 o  414.849  103.744   0.9576   0.3950   0.3967   0.6237   1.3330   0.5104  310.255  129.974  481.231  116.502 -170.9763 174.5450 
1 1 1   31   15    6 o  400.706  105.623   0.9237   0.3950   1.6629   0.6407   0.4706   0.5016  511.268  134.416  303.081  120.389 208.1868 180.4472 
1 1 1   31   15    7 o  455.972  100.153   1.1941   0.4087   1.1867   0.6465   1.1991   0.5275  408.111  141.281  430.135  125.504 -22.02417 188.9747 
1 1 1   31   15    8 o  311.621  141.638   0.5386   0.8867  -0.4462   1.0832   2.5395   1.5440  269.553  131.758  422.373  189.914 -152.8197 231.1438 
1 1 1   31   17    0 o  411.416   93.977   0.8777   0.3480   0.4891   0.5178   1.1976   0.4699  327.120  124.413  473.762  109.910 -146.6411 166.0083 
1 1 1   31   17    1 o  247.242   92.981   0.2552   0.2873   0.8553   0.5028  -0.0357   0.3500  393.049  124.211  210.010   92.657 183.0389 154.9634 
1 1 1   31   17    2 o  482.385   73.602   1.1650   0.3164   1.0050   0.5860   1.2308   0.3758  415.074  134.407  488.817   86.730 -73.74203 159.9604 
1 1 1   31   17    3 o  352.071   92.601   0.6643   0.3040   1.0285   0.5863   0.5304   0.3555  413.220  134.486  314.982  104.832 98.23746 170.5173 
1 1 1   31   17    4 o  365.482   99.649   0.7422   0.3443   0.7611   0.6146   0.7335   0.4157  358.601  135.742  357.092  112.951 1.509033 176.5891 
1 1 1   31   17    5 f  438.478   94.083   1.0626   0.3682   0.9131   0.6112   1.1478   0.4613  374.117  136.535  439.426  113.352 -65.30963 177.4552 
1 1 1   31   17    6 o  478.111   90.795   1.2687   0.3848   1.7919   0.5887   0.8781   0.5086  534.323  122.361  365.917  125.379 168.4060 175.1918 
1 1 1   31   17    7 o  170.264   81.842  -0.3656   0.3747   0.4901   0.6966  -0.7142   0.4445  299.164  131.394  164.477   81.185 134.6868 154.4521 
1 1 1   31   19    0 f  456.919   69.445   1.0386   0.2828   0.7780   0.4558   1.2018   0.3606  374.019  118.262  484.338   83.950 -110.3195 145.0293 
1 1 1   31   19    1 o  585.092   54.271   1.6537   0.2889   1.1209   0.4813   1.9537   0.3611  444.002  116.384  631.294   63.010 -187.2921 132.3459 
1 1 1   31   19    2 o  301.051   87.916   0.4832   0.2588   0.3620   0.4702   0.5358   0.3099  287.819  115.797  314.091   97.249 -26.27179 151.2159 
1 1 1   31   19    3 o  168.308   76.449  -0.0935   0.2578  -0.5336   0.4463   0.1269   0.3158  181.325   87.691  220.069   92.353 -38.74403 127.3525 
1 1 1   31   19    4 o  215.209   88.296   0.1549   0.2797   0.2866   0.4319   0.0598   0.3671  263.118  109.012  218.361   95.656 44.75751 145.0299 
1 1 1   31   19    5 o  172.486   80.183  -0.1606   0.3073  -0.4144   0.4269   0.1122   0.4426  181.165   87.150  236.252  104.215 -55.08710 135.8524 
1 1 1   31   21    0 o  314.279  146.334  -0.0082   1.0301   0.4337   1.3875  -0.5510   1.5375  364.468  169.747  330.227  160.420 34.24072 233.5562 
1 1 1   31   21    1 o  598.415  196.700   3.1438   1.2531   1.4535   1.6535   5.4251   1.9208  412.116  189.594  673.126  242.588 -261.0096 307.8877 
1 1 1   31   21    3 o  415.763   84.868   0.9461   0.3137   1.0550   0.3202  -1.6620   1.5671  442.160   81.703  277.606  139.403 164.5546 161.5814 
1 1 1   31   21    4 o  335.498  160.531   0.7211   1.4056   0.7211   1.4056   0.0000   0.0000  335.498  160.531  ?   ?  0.000000 160.5312 
1 1 1   31   23    0 f  370.330  181.173   0.7893   2.0612   0.0000   0.0000   0.7893   2.0612  ?   ?   370.330  181.173 0.000000 181.1727 
1 1 1   32    0    0 o  1004.50  102.957   4.9570   0.9287   4.9570   0.9287   4.9570   0.9287  1004.50  102.957  1004.50  102.957 0.000000 0.000000 
1 1 1   32    0    1 o  713.446  140.768   2.7313   0.8218   2.7313   0.8218   2.7313   0.8218  713.446  140.768  713.446  140.768 0.000000 0.000000 
1 1 1   32    0    2 o  895.697  169.737   4.3807   1.2526   4.3807   1.2526   4.3807   1.2526  895.697  169.737  895.697  169.737 0.000000 0.000000 
1 1 1   32    0    3 f  478.473  215.533   1.7396   1.0169   1.7396   1.0169   1.7396   1.0169  478.473  215.533  478.473  215.533 0.000000 0.000000 
1 1 1   32    0    4 o  676.913  135.090   2.4642   0.7468   2.4642   0.7468   2.4642   0.7468  676.913  135.090  676.913  135.090 0.000000 0.000000 
1 1 1   32    0    5 o  277.463  155.567   0.5557   0.5983   0.5557   0.5983   0.5557   0.5983  277.463  155.567  277.463  155.567 0.000000 0.000000 
1 1 1   32    0    6 o  186.077  123.060  -0.0606   0.5491  -0.0606   0.5491  -0.0606   0.5491  186.077  123.060  186.077  123.060 0.000000 0.000000 
1 1 1   32    0    7 o  174.264  118.110  -0.2083   0.5646  -0.2083   0.5646  -0.2083   0.5646  174.264  118.110  174.264  118.110 0.000000 0.000000 
1 1 1   32    0    8 o  541.903  152.462   1.7717   0.6581   1.7717   0.6581   1.7717   0.6581  541.903  152.462  541.903  152.462 0.000000 0.000000 
1 1 1   32    0    9 o  151.066  105.644  -0.4472   0.5444  -0.4472   0.5444  -0.4472   0.5444  151.066  105.644  151.066  105.644 0.000000 0.000000 
1 1 1   32    0   11 o  359.877  186.961   1.1765   0.8035   1.1765   0.8035   1.1765   0.8035  359.877  186.961  359.877  186.961 0.000000 0.000000 
1 1 1   32    2    0 o  533.161  108.288   1.4410   0.5131   1.7027   0.7394   1.1979   0.7127  564.835  142.317  475.528  147.518 89.30676 204.9770 
1 1 1   32    2    1 o  304.946  117.654   0.3489   0.4675   0.2907   0.6593   0.4078   0.6629  328.448  135.252  344.490  137.887 -16.04242 193.1477 
1 1 1   32    2    2 o  369.876  120.679   0.6871   0.4720   1.5896   0.7050  -0.0459   0.6354  542.407  140.230  283.606  124.997 258.8009 187.8531 
1 1 1   32    2    3 o  941.875   68.755   4.2457   0.5918   3.3236   0.7956   5.3874   0.8853  808.962  109.716  1045.48   92.997 -236.5135 143.8263 
1 1 1   32    2    4 o  1026.93   63.880   5.0333   0.6006   4.0294   0.8211   6.1886   0.8809  894.099  101.612  1123.26   85.876 -229.1572 133.0396 
1 1 1   32    2    5 o  1437.69   57.206   9.8007   0.7568   10.694   1.1265   9.0660   1.0217  1475.55   83.309  1359.59   82.049 115.9604 116.9286 
1 1 1   32    2    6 o  244.118  106.346   0.0259   0.4481  -0.9312   0.8821   0.3588   0.5202  258.087  124.436  305.094  122.139 -47.00641 174.3621 
1 1 1   32    2    7 o  494.580  123.598   1.3871   0.5609   1.1453   1.0178   1.4925   0.6722  430.971  171.393  499.865  140.373 -68.89368 221.5402 
1 1 1   32    2    8 o  600.815   86.438   1.8732   0.4641   0.9784   0.6157   3.0511   0.7064  400.201  137.906  749.953  105.260 -349.7523 173.4876 
1 1 1   32    2    9 o  456.418  110.192   1.2075   0.4575   0.9917   0.6517   1.4173   0.6425  388.556  141.104  464.775  139.266 -76.21909 198.2561 
1 1 1   32    2   10 o  388.499  117.162   0.9526   0.4537   0.4564   0.6275   1.4958   0.6566  300.177  128.244  458.628  141.482 -158.4504 190.9549 
1 1 1   32    2   11 o  318.792  126.551   0.6922   0.5539   0.3082   0.7451   1.1668   0.8283  282.130  128.850  365.681  151.190 -83.55099 198.6479 
1 1 1   32    4    0 o  927.969   81.943   4.1500   0.6925   2.3016   1.1329   5.2527   0.8750  633.342  183.675  1038.54   92.533 -405.2006 205.6667 
1 1 1   32    4    1 o  575.331  113.144   1.6932   0.5776   1.1483   0.9979   1.9678   0.7084  472.280  174.138  612.501  129.723 -140.2206 217.1454 
1 1 1   32    4    2 o  966.950   75.989   4.4991   0.6707   2.9052   1.0935   5.4601   0.8491  715.593  168.808  1058.08   88.012 -342.4863 190.3737 
1 1 1   32    4    3 o  639.954   85.015   2.0166   0.4882   2.0255   0.6855   2.0075   0.6956  619.602  124.549  615.245  127.070 4.357178 177.9303 
1 1 1   32    4    4 o  151.594   74.929  -0.8061   0.3832  -0.4550   0.5896  -1.0628   0.5042  232.949  109.196  172.339   85.320 60.60960 138.5761 
1 1 1   32    4    5 o  676.404   80.070   2.2596   0.4887   2.7537   0.7575   1.9073   0.6396  720.786  118.321  595.888  120.779 124.8981 169.0781 
1 1 1   32    4    6 f  479.643  100.732   1.2110   0.4304   1.3525   0.6488   1.0998   0.5752  483.026  138.691  440.081  131.751 42.94473 191.2942 
1 1 1   32    4    7 o  193.757   89.423  -0.2056   0.3720   0.2836   0.5719  -0.5643   0.4897  296.211  124.293  194.664   93.568 101.5467 155.5757 
1 1 1   32    4    8 o  332.875  116.690   0.6153   0.4417   1.4731   0.7098   0.0733   0.5642  476.491  147.122  264.402  117.096 212.0890 188.0331 
1 1 1   32    4    9 o  442.019  110.931   1.1467   0.4505   1.1682   0.6330   1.1246   0.6412  417.259  139.895  408.700  140.745 8.559021 198.4431 
1 1 1   32    4   10 o  327.398  124.535   0.6834   0.5189   0.5442   0.9778   0.7380   0.6122  322.788  147.493  334.397  132.947 -11.60916 198.5681 
1 1 1   32    4   11 o  380.050  169.414   1.6803   1.2005   0.0000   0.0000   1.6803   1.2005  ?   ?   380.050  169.414 0.000000 169.4140 
1 1 1   32    6    0 o  1022.24   66.959   4.9597   0.6264   5.2885   0.8927   4.6409   0.8791  1040.47   94.261  970.823   99.830 69.64795 137.2994 
1 1 1   32    6    1 o  612.230   96.224   1.8657   0.5242   1.6133   0.7613   2.0932   0.7228  543.773  148.134  631.920  128.683 -88.14734 196.2220 
1 1 1   32    6    2 o  895.043   67.733   3.8274   0.5537   4.6135   0.8374   3.2166   0.7381  966.288   95.422  801.290  102.455 164.9980 140.0089 
1 1 1   32    6    3 o  1242.62   59.319   7.3035   0.6783   7.0325   0.9801   7.5526   0.9396  1195.81   89.730  1245.63   82.439 -49.82605 121.8512 
1 1 1   32    6    4 o  367.395  122.821   0.6977   0.4879   0.1607   0.8833   0.9335   0.5853  339.399  148.541  415.348  134.305 -75.94827 200.2549 
1 1 1   32    6    5 o  938.790   73.936   4.3019   0.6335   5.3304   1.2546   3.9500   0.7340  974.026  144.348  886.249   91.310 87.77698 170.8041 
1 1 1   32    6    6 o  268.447  105.394   0.2811   0.3803  -0.2091   0.5636   0.6906   0.5152  242.828  111.335  359.026  126.017 -116.1986 168.1538 
1 1 1   32    6    7 o  603.484   84.816   1.8685   0.4580   2.3037   0.7407   1.5991   0.5828  628.331  132.286  529.151  122.160 99.18042 180.0629 
1 1 1   32    6    8 o  792.245   70.276   3.1464   0.5070   3.2577   0.7450   3.0503   0.6919  765.229  108.873  746.191  103.566 19.03760 150.2641 
1 1 1   32    6    9 o  214.264   99.575  -0.1823   0.4733  -0.7853   0.9278   0.0298   0.5503  251.013  122.533  249.171  112.582 1.841995 166.4004 
1 1 1   32    6   10 o  351.737  126.476   0.8415   0.5218   0.2725   0.9800   1.0667   0.6165  300.441  140.817  381.270  137.431 -80.82895 196.7654 
1 1 1   32    8    0 o  1131.25   75.635   6.1283   0.7828   6.2598   0.9184   5.7790   1.4969  1135.19   88.619  1029.36  163.503 105.8375 185.9751 
1 1 1   32    8    1 o  868.120   90.508   3.6976   0.7124   4.3582   0.8568   2.2187   1.2820  936.212  101.062  603.774  198.977 332.4383 223.1713 
1 1 1   32    8    2 o  429.934  137.700   0.9861   0.6164   1.1174   0.7033   0.5509   1.2801  453.469  147.272  422.939  181.990 30.53006 234.1143 
1 1 1   32    8    3 o  521.000  102.438   1.3961   0.4736   1.4431   0.7227   1.3608   0.6270  506.237  146.670  497.954  133.919 8.282654 198.6114 
1 1 1   32    8    4 o  760.142   73.414   2.8171   0.5071   2.3415   0.7755   3.1724   0.6703  652.069  133.734  793.689   93.577 -141.6196 163.2215 
1 1 1   32    8    5 o  543.379   95.864   1.5269   0.4618   1.7224   0.7154   1.3872   0.6047  544.588  141.478  495.036  130.786 49.55139 192.6677 
1 1 1   32    8    6 o  1584.37   61.830   12.119   0.9014   12.525   1.7934   11.982   1.0427  1488.01  132.363  1561.58   72.564 -73.57434 150.9490 
1 1 1   32    8    7 o  895.422   87.111   4.1428   0.7087   0.0000   0.0000   4.1428   0.7087  ?   ?   895.422   87.111 0.000000 87.11126 
1 1 1   32    8    8 o  1008.38   73.127   5.1588   0.6739   4.7267   1.1910   5.3623   0.8174  833.137  161.180  1005.87   89.236 -172.7303 184.2338 
1 1 1   32    8    9 o  217.281  103.430  -0.3499   0.5679   0.0919   0.6421  -1.9369   1.2170  264.621  120.370  242.315  121.839 22.30617 171.2712 
1 1 1   32    8   10 o  571.205  115.223   2.0486   0.5847   0.2630   0.9478   3.1458   0.7430  292.713  137.606  704.998  118.749 -412.2844 181.7601 
1 1 1   32   10    0 o  550.756  101.370   1.5316   0.4948   1.1309   0.7244   1.8819   0.6774  459.486  149.485  598.370  126.966 -138.8843 196.1277 
1 1 1   32   10    1 o  434.506  115.347   0.9891   0.4689   0.9651   0.7190   1.0069   0.6185  428.809  148.961  434.333  137.811 -5.523743 202.9314 
1 1 1   32   10    2 o  912.534   67.762   3.9965   0.5649   4.6056   0.8699   3.5523   0.7429  957.456  100.228  841.638   97.743 115.8174 139.9976 
1 1 1   32   10    3 o  499.693  131.292   1.3798   0.6115   1.9978   0.7155  -0.2949   1.1779  602.958  132.575  342.805  158.531 260.1524 206.6598 
1 1 1   32   10    4 o  313.962  135.287   0.2102   0.7094  -0.0230   0.8815   0.6390   1.1953  317.156  142.966  403.368  174.704 -86.21201 225.7448 
1 1 1   32   10    5 o  831.427   75.175   3.4231   0.5689   2.1088   0.9559   4.1441   0.7079  567.817  169.801  905.762   85.972 -337.9451 190.3244 
1 1 1   32   10    6 o  969.923   64.291   4.6035   0.5705   4.4719   0.9087   4.6891   0.7330  904.596  111.526  959.277   83.891 -54.68079 139.5556 
1 1 1   32   10    7 o  207.776   93.740  -0.0721   0.3799  -0.7247   0.6419   0.2798   0.4713  214.241  103.978  273.479  113.639 -59.23813 154.0299 
1 1 1   32   10    8 o  274.388  113.145   0.3357   0.4622   0.9431   1.0061   0.1732   0.5203  366.305  159.467  259.966  113.883 106.3381 195.9568 
1 1 1   32   10    9 o  505.078  103.802   1.5086   0.4663   1.4988   0.6688   1.5178   0.6505  447.969  143.430  455.716  140.858 -7.747040 201.0300 
1 1 1   32   12    0 o  532.561  106.858   1.4573   0.5054   2.3542   0.8501   0.9669   0.6286  655.630  144.783  426.706  139.270 228.9246 200.8937 
1 1 1   32   12    1 f  641.653   90.091   2.0531   0.5173   1.2268   0.8712   2.5030   0.6428  467.350  163.877  701.978  102.546 -234.6288 193.3164 
1 1 1   32   12    2 o  894.798   67.934   3.8617   0.5552   4.1121   1.0090   3.7529   0.6649  874.463  129.291  871.677   83.928 2.785950 154.1430 
1 1 1   32   12    3 o  737.447   69.164   2.6481   0.4638   2.3800   0.7668   2.8028   0.5825  654.361  131.904  747.835   86.231 -93.47382 157.5896 
1 1 1   32   12    4 o  732.800   70.706   2.6401   0.4708   1.9458   0.7585   3.0755   0.6006  572.266  144.119  780.661   84.982 -208.3946 167.3083 
1 1 1   32   12    5 o  416.091  136.067   1.0401   0.5999   0.4596   0.6645   3.5992   1.3952  326.979  135.324  675.179  205.877 -348.2003 246.3694 
1 1 1   32   12    6 f  279.263  121.120   0.2039   0.5761  -0.0553   0.6406   1.2993   1.3172  262.697  119.782  418.335  182.281 -155.6378 218.1146 
1 1 1   32   12    7 o  521.833  101.290   1.5338   0.4688   1.3371   0.7098   1.6861   0.6244  433.912  148.123  514.413  131.435 -80.50052 198.0295 
1 1 1   32   12    8 o  406.623  119.007   1.0601   0.4737   0.9374   0.6374   1.2114   0.7078  362.960  138.037  398.366  146.689 -35.40610 201.4243 
1 1 1   32   12    9 o  471.042  202.701   3.5755   1.5883   0.0000   0.0000   3.5755   1.5883  ?   ?   471.042  202.701 0.000000 202.7006 
1 1 1   32   14    0 o  484.591  101.566   1.2127   0.4384   1.0089   0.6231   1.4124   0.6170  429.891  138.525  507.861  131.120 -77.97040 190.7402 
1 1 1   32   14    1 o  396.465  109.353   0.8347   0.4119   1.7286   0.6867   0.3325   0.5147  555.976  135.476  302.599  121.367 253.3773 181.8894 
1 1 1   32   14    2 o  241.009   97.608   0.1739   0.3365   0.2037   0.5922   0.1596   0.4088  294.386  125.147  254.357  105.779 40.02985 163.8627 
1 1 1   32   14    3 o  859.387   89.445   3.7638   0.6970   3.3141   0.7698   5.8071   1.6409  788.170  109.072  912.639  200.846 -124.4695 228.5511 
1 1 1   32   14    4 o  282.222  104.076   0.3845   0.3565   0.1633   0.6768   0.4694   0.4194  294.216  129.363  305.420  112.832 -11.20435 171.6566 
1 1 1   32   14    5 o  219.041   95.544   0.0412   0.3627   0.1864   0.6425  -0.0267   0.4395  286.181  125.930  227.783  101.951 58.39764 162.0260 
1 1 1   32   14    6 o  339.286  114.312   0.6841   0.4227   0.5575   0.6684   0.7684   0.5456  322.653  134.806  351.259  128.877 -28.60663 186.4989 
1 1 1   32   14    7 o  257.966  117.065   0.0878   0.6027  -0.2188   0.6675   1.4410   1.4023  242.082  114.316  383.368  175.714 -141.2866 209.6273 
1 1 1   32   14    8 o  551.280  134.900   2.1188   0.6787   0.0000   0.0000   2.1188   0.6787  ?   ?   551.280  134.900 0.000000 134.8999 
1 1 1   32   16    0 o  587.916   78.201   1.7156   0.4126   1.3162   0.5804   2.1234   0.5865  485.584  128.064  639.042  103.265 -153.4578 164.5110 
1 1 1   32   16    1 o  239.638   97.978   0.1633   0.3429   0.9560   0.5913  -0.2385   0.4209  409.590  135.137  205.442   94.923 204.1478 165.1441 
1 1 1   32   16    2 o  254.925   98.506   0.2667   0.3281   0.3074   0.6387   0.2521   0.3824  308.014  130.408  261.500  104.704 46.51328 167.2393 
1 1 1   32   16    3 o  617.544   73.915   1.9187   0.4117   3.3904   0.7706   1.3309   0.4870  786.878  109.385  487.306  111.075 299.5728 155.8939 
1 1 1   32   16    4 o  215.029   91.704   0.0865   0.3198   0.5514   0.6522  -0.0607   0.3670  327.797  134.700  205.640   92.515 122.1572 163.4112 
1 1 1   32   16    5 o  574.273   87.779   1.7739   0.4491   3.0209   0.7597   1.1041   0.5568  710.435  120.526  411.674  130.777 298.7606 177.8459 
1 1 1   32   16    6 o  812.208   72.254   3.4198   0.5344   4.0790   0.8157   2.9243   0.7072  831.848  109.212  696.812  114.261 135.0356 158.0596 
1 1 1   32   18    0 o  626.196   67.167   1.9279   0.3810   2.0377   0.6141   1.8591   0.4857  610.466  113.506  599.603   90.887 10.86279 145.4101 
1 1 1   32   18    1 o  585.250   65.176   1.6899   0.3450   1.2756   0.5616   1.9411   0.4373  464.922  127.462  618.676   78.590 -153.7547 149.7425 
1 1 1   32   18    2 o  245.619   91.914   0.2756   0.2800   0.6465   0.5541   0.1483   0.3246  339.639  128.806  227.681   94.430 111.9587 159.7122 
1 1 1   32   18    3 o  538.252   77.136   1.5003   0.3711   0.6710   0.6589   1.8857   0.4491  340.053  136.989  598.520   83.853 -258.4661 160.6153 
1 1 1   32   18    4 o  384.026   99.839   0.8500   0.3561   0.4186   0.6305   1.0519   0.4315  299.692  128.306  419.098  110.360 -119.4060 169.2390 
1 1 1   32   18    5 o  716.594  112.588   3.0903   0.7179   3.0903   0.7179   0.0000   0.0000  716.594  112.588  ?   ?  0.000000 112.5880 
1 1 1   32   20    0 o  115.126   58.398  -1.0835   0.3183  -0.9571   0.3248  -4.1203   1.5916  122.618   61.818  248.342  126.428 -125.7235 140.7323 
1 1 1   32   20    1 o  534.701   59.238   1.4135   0.2866   2.0638   0.5105   1.1143   0.3463  619.348   92.405  457.594   85.375 161.7540 125.8081 
1 1 1   32   20    2 o  636.038   55.353   1.9892   0.3207   2.8330   0.5631   1.5840   0.3902  729.520   85.509  548.979   79.563 180.5411 116.7992 
1 1 1   32   20    3 o  451.602   81.062   1.0962   0.3245   1.0924   0.5990   1.0977   0.3860  395.708  136.052  437.309   98.315 -41.60147 167.8570 
1 1 1   32   22    0 o  495.489  221.778   3.8088   2.0799   0.0000   0.0000   3.8088   2.0799  ?   ?   495.489  221.778 0.000000 221.7782 
1 1 1   33    1    0 o  1917.78   55.392   17.237   0.9775   18.655   1.4274   15.985   1.3414  1976.96   78.465  1828.96   79.704 148.0020 111.8461 
1 1 1   33    1    1 o  1562.26   58.247   11.481   0.8373   11.521   1.2139   11.444   1.1565  1543.31   85.817  1541.55   81.823 1.764160 118.5737 
1 1 1   33    1    2 o  796.333   92.461   3.1311   0.6649   3.0468   1.1388   3.1747   0.8190  727.852  172.645  786.837  116.652 -58.98474 208.3604 
1 1 1   33    1    3 o  731.803  100.375   2.6997   0.6581   3.8969   1.2910   2.2793   0.7650  813.945  177.377  651.364  132.147 162.5807 221.1907 
1 1 1   33    1    4 o  207.019   95.548  -0.2590   0.4248  -0.5843   0.6002   0.0673   0.6012  224.958  106.868  284.097  123.475 -59.13954 163.2995 
1 1 1   33    1    5 o  273.182  111.287   0.2344   0.4404  -0.3953   0.6149   0.8977   0.6310  240.283  112.274  403.229  139.578 -162.9454 179.1296 
1 1 1   33    1    6 o  471.775  109.552   1.2110   0.4665   0.9421   0.6515   1.4938   0.6681  403.914  141.714  502.416  139.543 -98.50171 198.8843 
1 1 1   33    1    7 o  732.636   80.408   2.7261   0.5332   2.8495   0.7701   2.6125   0.7389  708.542  122.549  677.353  123.082 31.18945 173.6881 
1 1 1   33    1    8 o  744.219   80.495   2.8614   0.5424   3.3271   0.8010   2.4670   0.7372  758.281  118.697  638.398  129.916 119.8826 175.9751 
1 1 1   33    1    9 o  376.728  119.030   0.8917   0.4618   0.8107   0.6778   0.9618   0.6308  349.741  139.624  373.899  138.332 -24.15857 196.5469 
1 1 1   33    1   10 o  345.971  120.124   0.7960   0.4675  -0.1366   0.6681   1.6911   0.6545  243.518  114.803  482.697  139.502 -239.1794 180.6667 
1 1 1   33    3    0 o  967.508   71.140   4.4624   0.6289   4.6931   0.8730   4.2135   0.9067  977.205   98.426  918.699  109.414 58.50604 147.1700 
1 1 1   33    3    1 o  1528.56   57.490   10.988   0.8086   12.357   1.1968   9.8381   1.0968  1601.80   81.465  1426.90   83.908 174.9066 116.9488 
1 1 1   33    3    2 o  1111.06   67.432   5.8890   0.6861   6.1108   0.9671   5.6642   0.9736  1112.49   95.396  1067.01  100.343 45.48401 138.4527 
1 1 1   33    3    3 o  271.124  112.330   0.1730   0.4586   0.0790   0.6646   0.2584   0.6335  299.248  129.941  314.853  131.368 -15.60449 184.7760 
1 1 1   33    3    4 o  827.686   76.522   3.3466   0.5762   2.3583   0.7890   4.4762   0.8435  654.397  135.490  940.721   98.924 -286.3236 167.7602 
1 1 1   33    3    5 o  831.700   73.155   3.3866   0.5542   3.5738   0.8086   3.2208   0.7610  825.737  109.088  784.090  108.371 41.64709 153.7674 
1 1 1   33    3    6 o  713.257   93.474   2.6267   0.5987   2.2787   1.0951   2.7751   0.7151  570.929  183.613  717.344  111.988 -146.4149 215.0698 
1 1 1   33    3    7 o  946.044   82.365   4.5615   0.7098   3.8331   1.3096   4.8646   0.8447  715.039  194.077  959.658   96.988 -244.6191 216.9615 
1 1 1   33    3    8 o  989.865   68.192   4.9066   0.6173   5.5668   0.9052   4.3327   0.8441  1011.92   98.466  881.588  106.186 130.3288 144.8137 
1 1 1   33    3    9 f  566.152  102.348   1.8368   0.5136   1.8566   0.7499   1.8193   0.7048  504.232  150.313  509.245  143.984 -5.012543 208.1476 
1 1 1   33    3   10 o  585.886  112.757   2.1205   0.5858   2.0950   1.1675   2.1291   0.6773  428.600  178.538  555.603  134.020 -127.0033 223.2428 
1 1 1   33    5    0 o  1459.83   68.486   10.096   0.9200   9.4048   1.5810   10.450   1.1312  1356.70  128.158  1472.60   83.828 -115.9052 153.1389 
1 1 1   33    5    1 o  830.578   92.326   3.3942   0.6937   4.5713   1.3164   2.9417   0.8162  909.166  163.359  755.284  121.565 153.8823 203.6279 
1 1 1   33    5    2 o  226.653  103.223  -0.2160   0.4739  -1.2486   0.7865   0.3727   0.5939  229.992  112.390  325.648  130.452 -95.65637 172.1890 
1 1 1   33    5    3 o  699.530   97.097   2.4664   0.6081   3.5015   1.1674   2.0808   0.7124  774.630  168.573  621.798  128.756 152.8323 212.1203 
1 1 1   33    5    4 o  794.596   76.221   3.0919   0.5505   4.4193   0.8782   2.2328   0.7065  927.855  104.687  643.311  123.842 284.5444 162.1609 
1 1 1   33    5    5 o  1189.72   61.863   6.8093   0.6749   6.8678   1.0009   6.7605   0.9139  1161.96   94.432  1162.15   86.074 -0.1842041 127.7735 
1 1 1   33    5    6 o  219.811   99.638  -0.1227   0.4351  -1.1565   0.6451   0.7400   0.5893  197.344   97.481  365.820  133.977 -168.4763 165.6876 
1 1 1   33    5    7 o  866.337   71.749   3.7539   0.5668   2.7763   0.8212   4.6436   0.7833  678.563  136.251  941.194   91.611 -262.6315 164.1853 
1 1 1   33    5    8 o  251.967  106.031   0.2098   0.4181   1.5400   0.7209  -0.4645   0.5133  469.973  148.754  201.559   96.593 268.4142 177.3637 
1 1 1   33    5    9 o  460.088  128.542   1.4012   0.5652   0.2731   1.0178   1.9042   0.6796  308.362  144.203  527.269  138.344 -218.9069 199.8338 
1 1 1   33    5   10 o  342.441  138.056   0.8892   0.6698   0.0000   0.0000   0.8892   0.6698  ?   ?   342.441  138.056 0.000000 138.0557 
1 1 1   33    7    0 o  780.901   79.676   2.9500   0.5645   2.4699   0.7823   3.4714   0.8154  688.050  128.285  830.891  109.296 -142.8413 168.5307 
1 1 1   33    7    1 o  652.952   94.302   2.1222   0.5502   1.8691   0.7780   2.3753   0.7781  583.666  145.400  669.728  130.955 -86.06189 195.6788 
1 1 1   33    7    2 o  766.609   79.962   2.8692   0.5558   2.3431   0.7654   3.4560   0.8083  661.719  130.337  822.626  109.503 -160.9071 170.2309 
1 1 1   33    7    3 o  749.398   77.458   2.7488   0.5264   2.8365   0.7844   2.6770   0.7101  732.143  120.639  717.885  111.078 14.25793 163.9878 
1 1 1   33    7    4 o  473.235  120.128   1.2263   0.5240   1.3176   0.9569   1.1871   0.6263  466.589  170.748  456.449  137.657 10.13962 219.3271 
1 1 1   33    7    5 o  356.580  122.559   0.6859   0.4861   1.4786   1.0176   0.4516   0.5533  474.397  175.666  320.166  126.673 154.2305 216.5748 
1 1 1   33    7    6 o  248.711  105.441   0.1415   0.4185   0.3517   0.6839   0.0157   0.5291  315.540  134.322  254.392  112.989 61.14874 175.5243 
1 1 1   33    7    7 o  380.549  122.938   0.8685   0.4905  -1.1816   1.0010   1.5163   0.5627  251.428  123.663  505.250  122.336 -253.8219 173.9501 
1 1 1   33    7    8 o  433.411  126.494   1.2020   0.5358   3.1119   1.1500   0.6725   0.6055  598.253  187.685  333.080  132.284 265.1721 229.6186 
1 1 1   33    7    9 o  868.248   72.708   3.9337   0.5755   4.2452   0.8546   3.6752   0.7786  835.680  114.122  781.716  111.387 53.96436 159.4708 
1 1 1   33    9    0 o  418.717  139.708   0.9126   0.6313   0.3240   0.7146   3.0043   1.3471  338.765  140.280  699.011  199.568 -360.2461 243.9382 
1 1 1   33    9    1 o  1186.04   80.235   6.8261   0.8705   6.7073   1.0255   7.1327   1.6466  1162.14   96.779  1127.54  163.475 34.60010 189.9740 
1 1 1   33    9    2 o  272.302  119.784  -0.0073   0.5809   0.7068   0.6889  -1.7649   1.0807  381.379  143.869  259.658  127.862 121.7217 192.4758 
1 1 1   33    9    3 o  564.271   94.860   1.6280   0.4751   1.4516   0.7103   1.7707   0.6390  501.068  145.473  569.013  125.423 -67.94479 192.0764 
1 1 1   33    9    4 o  387.283  123.146   0.8280   0.4936   1.4401   0.9540   0.6042   0.5769  475.880  171.021  348.088  131.570 127.7922 215.7752 
1 1 1   33    9    5 o  556.948  103.845   1.6657   0.5126   3.4437   1.0521   1.1122   0.5870  742.531  158.791  433.377  133.783 309.1541 207.6354 
1 1 1   33    9    6 o  615.132  113.664   2.1284   0.6197   0.0000   0.0000   2.1284   0.6197  ?   ?   615.132  113.664 0.000000 113.6642 
1 1 1   33    9    7 o  208.559   96.707  -0.1881   0.4427  -0.4091   0.9600  -0.1284   0.4989  276.687  132.464  226.536  104.189 50.15028 168.5289 
1 1 1   33    9    8 o  254.384  108.891   0.2250   0.4540  -0.2200   0.7177   0.5218   0.5862  249.879  118.164  306.355  126.971 -56.47652 173.4480 
1 1 1   33    9    9 o  453.367  198.173   3.1468   1.5679   0.0000   0.0000   3.1468   1.5679  ?   ?   453.367  198.173 0.000000 198.1726 
1 1 1   33   11    0 o  388.354  124.124   0.7846   0.5010   0.6307   0.8320   0.8722   0.6276  387.336  154.673  408.449  139.282 -21.11285 208.1423 
1 1 1   33   11    1 o  830.792   79.041   3.3752   0.5970   2.5209   1.0369   3.7987   0.7301  648.714  171.207  872.688   92.321 -223.9735 194.5121 
1 1 1   33   11    2 o  337.652  121.941   0.5602   0.4857   1.9350   0.9321   0.0476   0.5691  561.643  167.610  273.875  119.562 287.7681 205.8835 
1 1 1   33   11    3 o  350.214  143.182   0.5189   0.7323   0.2563   0.9022   1.0258   1.2535  340.990  149.656  434.276  183.210 -93.28613 236.5645 
1 1 1   33   11    4 o  464.887  136.265   1.2845   0.6206   2.1055   0.7506  -0.4891   1.1032  596.720  139.245  307.397  145.697 289.3232 201.5359 
1 1 1   33   11    5 f  230.872  107.798  -0.2904   0.5652  -0.0189   0.6606  -1.0325   1.0921  271.990  123.076  273.725  133.470 -1.735016 181.5545 
1 1 1   33   11    6 o  344.921  113.912   0.6936   0.4201   0.4067   0.7066   0.8504   0.5225  312.794  134.899  371.931  127.081 -59.13684 185.3304 
1 1 1   33   11    7 o  467.193  109.980   1.2962   0.4650   1.1990   0.7582   1.3548   0.5886  400.559  150.975  451.508  132.813 -50.94867 201.0786 
1 1 1   33   11    8 o  495.465  148.948   1.8669   0.7341   0.0000   0.0000   1.8669   0.7341  ?   ?   495.465  148.948 0.000000 148.9476 
1 1 1   33   13    0 o  833.867   68.272   3.3543   0.5193   4.7844   0.8095   2.3542   0.6769  980.330   90.763  670.648  113.751 309.6824 145.5245 
1 1 1   33   13    1 o  754.475   71.675   2.7766   0.4916   3.1526   0.7921   2.5410   0.6270  772.357  114.962  703.600   99.628 68.75690 152.1243 
1 1 1   33   13    2 o  301.886  110.043   0.4362   0.3969   0.5773   0.6958   0.3682   0.4832  353.623  141.362  299.845  118.458 53.77814 184.4335 
1 1 1   33   13    3 o  574.232   85.240   1.6872   0.4367   1.9666   0.7731   1.5562   0.5293  567.558  146.897  532.755  111.541 34.80377 184.4456 
1 1 1   33   13    4 o  285.481  106.263   0.3982   0.3733   1.0335   0.7125   0.1577   0.4383  405.540  147.499  253.557  107.725 151.9828 182.6489 
1 1 1   33   13    5 o  412.095  111.049   0.9880   0.4306   0.0529   0.6720   1.6394   0.5609  274.490  124.180  527.878  118.388 -253.3885 171.5698 
1 1 1   33   13    6 o  712.419  131.386   3.1903   0.8296   3.1903   0.8296   0.0000   0.0000  712.419  131.386  ?   ?  0.000000 131.3856 
1 1 1   33   13    7 o  314.564  117.168   0.6124   0.4540   2.1026   0.9515   0.1730   0.5167  481.983  171.048  253.790  112.241 228.1928 204.5855 
1 1 1   33   15    0 o  336.646  116.143   0.5823   0.4367  -0.4046   0.6138   1.5944   0.6216  238.754  111.757  534.245  128.098 -295.4905 169.9958 
1 1 1   33   15    1 o  482.131  102.549   1.2393   0.4410   1.0779   0.6975   1.3467   0.5691  426.346  146.792  487.010  126.032 -60.66376 193.4736 
1 1 1   33   15    2 o  413.697  104.704   0.9374   0.3989   0.5708   0.7038   1.1108   0.4842  345.575  140.725  442.962  117.040 -97.38712 183.0352 
1 1 1   33   15    3 o  499.394   96.915   1.3458   0.4293   1.5701   0.7532   1.2379   0.5224  487.025  151.744  458.784  121.741 28.24060 194.5429 
1 1 1   33   15    4 o  320.613  107.809   0.5808   0.3759   1.4424   0.7205   0.2584   0.4407  457.819  149.081  264.196  109.844 193.6225 185.1780 
1 1 1   33   15    5 o  303.266  110.661   0.5234   0.4015   0.8851   0.7320   0.3678   0.4802  360.926  144.744  280.706  115.490 80.21991 185.1724 
1 1 1   33   15    6 o  354.910  148.303   0.9436   0.8091   0.9436   0.8091   0.0000   0.0000  354.910  148.303  ?   ?  0.000000 148.3031 
1 1 1   33   17    0 o  281.814  105.527   0.3684   0.3693   0.0872   0.5744   0.5666   0.4821  272.444  119.495  330.448  121.156 -58.00345 170.1694 
1 1 1   33   17    1 o  739.467   65.109   2.6922   0.4385   2.3591   0.6963   2.9112   0.5645  642.611  122.215  754.590   82.657 -111.9787 147.5421 
1 1 1   33   17    2 o  290.343  104.695   0.4391   0.3578  -0.9912   0.6339   1.1081   0.4335  198.991   97.975  442.045  107.596 -243.0544 145.5204 
1 1 1   33   17    3 o  195.656   86.515  -0.0065   0.3068   0.5879   0.7168  -0.1399   0.3395  330.682  138.972  187.236   86.054 143.4456 163.4583 
1 1 1   33   17    4 o  472.277   95.720   1.2528   0.4017   0.6986   0.7333   1.4905   0.4802  335.954  140.841  505.442  106.607 -169.4878 176.6384 
1 1 1   33   19    0 o  365.433   96.727   0.7348   0.3303   1.3955   0.5560   0.3743   0.4107  483.481  124.282  282.470  109.916 201.0110 165.9141 
1 1 1   33   19    1 o  554.491   79.059   1.5965   0.3920   3.4618   1.7384   1.4966   0.4023  539.376  220.577  532.057   85.039 7.318665 236.4014 
1 1 1   33   19    2 o  334.369  150.535   0.5400   0.9737  -0.2948   1.1527   2.6185   1.8189  297.236  143.041  452.023  204.415 -154.7876 249.4923 
1 1 1   33   19    3 o  622.863  151.088   2.7536   0.8571   2.7536   0.8571   0.0000   0.0000  622.863  151.088  ?   ?  0.000000 151.0881 
1 1 1   33   21    0 o  555.473   80.243   1.6203   0.3983   1.5837   0.4074   2.4065   1.8901  546.221   83.727  441.615  202.995 104.6060 219.5839 
1 1 1   34    0    0 f  345.637  182.340   0.9237   0.7731   0.9237   0.7731   0.9237   0.7731  345.637  182.340  345.637  182.340 0.000000 0.000000 
1 1 1   34    0    1 o  389.561  183.044   1.1456   0.7372   1.1456   0.7372   1.1456   0.7372  389.561  183.044  389.561  183.044 0.000000 0.000000 
1 1 1   34    0    2 o  807.832  131.833   3.4266   0.9016   3.4266   0.9016   3.4266   0.9016  807.832  131.833  807.832  131.833 0.000000 0.000000 
1 1 1   34    0    3 o  283.358  164.449   0.5716   0.7021   0.5716   0.7021   0.5716   0.7021  283.358  164.449  283.358  164.449 0.000000 0.000000 
1 1 1   34    0    4 o  171.229  118.461  -0.4139   0.6370  -0.4139   0.6370  -0.4139   0.6370  171.229  118.461  171.229  118.461 0.000000 0.000000 
1 1 1   34    0    5 o  531.437  168.808   1.7996   0.7266   1.7996   0.7266   1.7996   0.7266  531.437  168.808  531.437  168.808 0.000000 0.000000 
1 1 1   34    0    6 o  228.993  142.285   0.2770   0.6024   0.2770   0.6024   0.2770   0.6024  228.993  142.285  228.993  142.285 0.000000 0.000000 
1 1 1   34    0    7 o  257.081  154.388   0.4686   0.6575   0.4686   0.6575   0.4686   0.6575  257.081  154.388  257.081  154.388 0.000000 0.000000 
1 1 1   34    0    8 o  875.909  116.069   4.0566   0.8897   4.0566   0.8897   4.0566   0.8897  875.909  116.069  875.909  116.069 0.000000 0.000000 
1 1 1   34    0    9 o  867.317  109.486   3.9619   0.8359   3.9619   0.8359   3.9619   0.8359  867.317  109.486  867.317  109.486 0.000000 0.000000 
1 1 1   34    2    0 o  313.172  123.133   0.3482   0.5198   1.0901   0.7520  -0.3306   0.7193  454.847  152.473  275.468  126.106 179.3788 197.8656 
1 1 1   34    2    1 o  359.548  135.955   0.5697   0.6161   1.7389   1.1378   0.0847   0.7329  544.608  187.492  314.760  136.561 229.8480 231.9529 
1 1 1   34    2    2 o  616.557  114.697   1.9769   0.6268   1.5719   1.0905   2.1767   0.7659  516.380  183.131  634.075  135.391 -117.6951 227.7445 
1 1 1   34    2    3 o  489.361  118.661   1.2847   0.5288   0.8822   0.8118   1.5813   0.6969  412.778  156.067  530.478  140.533 -117.7003 210.0153 
1 1 1   34    2    4 o  200.656   93.919  -0.3351   0.4334  -0.4876   0.6149  -0.1846   0.6109  233.270  110.023  257.379  117.206 -24.10948 160.7552 
1 1 1   34    2    5 o  184.890   88.826  -0.5275   0.4401  -0.3401   0.6431  -0.6925   0.6036  247.550  115.385  214.311  103.229 33.23827 154.8219 
1 1 1   34    2    6 o  726.081   83.702   2.6964   0.5490   2.7776   0.8304   2.6333   0.7317  684.357  136.646  682.846  120.878 1.510925 182.4379 
1 1 1   34    2    7 o  652.192   93.336   2.2785   0.5442   2.1460   0.7942   2.3957   0.7470  569.466  149.624  624.730  133.973 -55.26453 200.8388 
1 1 1   34    2    8 f  312.710  118.436   0.5660   0.4680   1.0305   0.6650   0.1101   0.6589  384.590  142.085  271.277  122.822 113.3126 187.8118 
1 1 1   34    2    9 o  319.413  127.109   0.6558   0.5601  -0.5046   1.1538   1.0136   0.6407  275.333  134.878  370.439  138.943 -95.10547 193.6425 
1 1 1   34    4    0 o  1644.33   59.095   12.731   0.8941   12.941   1.2785   12.530   1.2510  1635.88   85.226  1610.07   84.737 25.80164 120.1829 
1 1 1   34    4    1 o  1338.58   63.550   8.4905   0.7828   7.6736   1.0739   9.4164   1.1433  1248.22   94.195  1387.13   90.060 -138.9125 130.3204 
1 1 1   34    4    2 o  266.411  112.248   0.1259   0.4696   0.2803   0.6384  -0.0562   0.6931  318.165  132.236  290.437  129.147 27.72729 184.8380 
1 1 1   34    4    3 o  466.023  118.368   1.1707   0.5086   2.0312   0.8092   0.6088   0.6538  595.311  148.274  361.659  139.253 233.6522 203.4127 
1 1 1   34    4    4 o  267.948  111.862   0.1811   0.4597   0.3702   0.7164   0.0487   0.5994  332.004  139.202  277.740  121.938 54.26364 185.0566 
1 1 1   34    4    5 o  338.167  123.007   0.5961   0.4955   0.2168   0.7726   0.8612   0.6458  316.763  138.770  388.814  140.583 -72.05093 197.5365 
1 1 1   34    4    6 o  559.804  117.176   1.7768   0.5842   1.1944   1.1174   1.9958   0.6853  420.861  174.938  579.996  131.453 -159.1357 218.8220 
1 1 1   34    4    7 o  1009.44   81.571   5.2762   0.7512   4.7158   1.5056   5.4619   0.8668  727.262  211.978  1008.41   94.518 -281.1471 232.0952 
1 1 1   34    4    8 o  379.194  124.611   0.9287   0.5029   0.8878   0.7433   0.9632   0.6830  358.464  145.113  370.694  142.432 -12.23010 203.3338 
1 1 1   34    4    9 o  289.657  121.100   0.4617   0.5399   1.2332   1.0598   0.1913   0.6274  367.394  161.699  266.194  120.248 101.1995 201.5098 
1 1 1   34    6    0 o  1898.92   66.058   17.099   1.1543   21.548   2.2617   15.532   1.3422  2060.13  119.825  1796.20   81.208 263.9344 144.7509 
1 1 1   34    6    1 o  917.743   85.095   4.1223   0.7104   3.4490   1.2513   4.4425   0.8630  762.781  181.005  941.661  101.186 -178.8802 207.3677 
1 1 1   34    6    2 o  858.346   88.012   3.6499   0.6853   3.2478   1.2108   3.8394   0.8313  729.703  181.158  866.810  106.460 -137.1068 210.1239 
1 1 1   34    6    3 o  245.352  110.112  -0.1065   0.5164   1.0368   1.0054  -0.5161   0.6018  435.229  171.214  228.899  108.230 206.3297 202.5540 
1 1 1   34    6    4 o  222.713  100.630  -0.1250   0.4397   0.5016   0.7151  -0.5059   0.5576  345.419  141.391  217.273  103.154 128.1464 175.0199 
1 1 1   34    6    5 o  384.566  120.476   0.8382   0.4741   0.5817   0.7398   1.0170   0.6175  350.310  143.649  412.961  138.170 -62.65103 199.3140 
1 1 1   34    6    6 o  939.899   71.099   4.4143   0.6104   5.0596   0.9398   3.9437   0.8027  958.953  108.414  850.535  104.776 108.4185 150.7696 
1 1 1   34    6    7 o  172.325   84.879  -0.7915   0.4773  -0.0897   0.9951  -1.0012   0.5439  297.231  140.120  177.142   87.861 120.0885 165.3883 
1 1 1   34    6    8 o  334.636  125.081   0.7154   0.5183  -0.6006   1.1187   1.0751   0.5849  273.889  133.883  393.616  134.461 -119.7268 189.7480 
1 1 1   34    8    0 o  662.530   96.873   2.1975   0.5731   1.7174   0.7911   2.7279   0.8315  554.463  150.983  717.573  130.742 -163.1104 199.7229 
1 1 1   34    8    1 o  413.687  123.987   0.9133   0.5092   0.7956   0.7469   1.0155   0.6961  399.924  150.014  432.386  146.696 -32.46170 209.8187 
1 1 1   34    8    2 f  693.848   88.846   2.4109   0.5542   2.0885   0.8178   2.6847   0.7537  603.211  148.365  710.991  119.434 -107.7805 190.4642 
1 1 1   34    8    3 o  375.531  122.128   0.7636   0.4836   2.0081   0.7740  -0.0330   0.6193  587.523  144.236  272.778  121.632 314.7457 188.6753 
1 1 1   34    8    4 o  366.193  135.811   0.7267   0.6087   0.0000   0.0000   0.7267   0.6087  ?   ?   366.193  135.811 0.000000 135.8105 
1 1 1   34    8    5 o  457.967  137.149   1.2875   0.6233   0.0000   0.0000   1.2875   0.6233  ?   ?   457.967  137.149 0.000000 137.1491 
1 1 1   34    8    6 o  243.566  107.893   0.0497   0.4793   0.9806   1.0577  -0.1909   0.5377  385.545  165.651  230.378  106.738 155.1673 197.0614 
1 1 1   34    8    7 f  582.806   98.134   1.8984   0.5076   1.6921   0.7984   2.0384   0.6576  472.381  157.089  568.623  128.678 -96.24161 203.0636 
1 1 1   34    8    8 o  275.803  116.099   0.3642   0.5016   0.1109   1.0179   0.4454   0.5764  294.822  139.798  291.811  123.734 3.011200 186.6916 
1 1 1   34   10    0 o  474.054  158.474   1.2714   0.8123   2.2412   1.0291  -0.3314   1.3230  610.852  174.435  362.629  167.809 248.2228 242.0479 
1 1 1   34   10    1 o  485.942  155.077   1.3741   0.7823   0.6822   0.9258   3.1021   1.4630  394.233  161.063  667.205  211.982 -272.9724 266.2286 
1 1 1   34   10    2 o  331.867  142.688   0.2835   0.7858  -0.0828   0.9981   0.8804   1.2742  328.163  149.586  427.488  182.693 -99.32492 236.1201 
1 1 1   34   10    3 o  714.375   94.101   2.6316   0.6035   2.4736   1.1146   2.6972   0.7179  598.821  184.262  706.200  114.382 -107.3785 216.8767 
1 1 1   34   10    4 f  447.781  114.853   1.1327   0.4755   1.0167   0.7815   1.2009   0.5992  406.245  153.240  446.542  134.645 -40.29672 203.9895 
1 1 1   34   10    5 o  257.430  108.334   0.2021   0.4365   0.2112   0.7503   0.1974   0.5367  301.572  134.218  272.599  117.568 28.97342 178.4283 
1 1 1   34   10    6 o  390.660  118.399   0.9337   0.4625   1.1472   0.7797   0.8178   0.5744  399.466  152.486  359.144  132.163 40.32162 201.7899 
1 1 1   34   10    7 o  585.773  130.314   2.2232   0.6843   0.0000   0.0000   2.2232   0.6843  ?   ?   585.773  130.314 0.000000 130.3141 
1 1 1   34   12    0 o  191.427   91.055  -0.4663   0.4385  -0.6772   0.6659  -0.3048   0.5826  232.734  111.120  242.020  111.771 -9.285995 157.6087 
1 1 1   34   12    1 o  1206.49   61.468   6.9867   0.6801   6.6661   1.0211   7.2423   0.9119  1142.77   98.053  1208.71   82.480 -65.94141 128.1304 
1 1 1   34   12    2 o  620.687   90.064   1.9764   0.4994   2.5015   0.8152   1.6610   0.6318  656.190  139.311  539.641  128.988 116.5489 189.8565 
1 1 1   34   12    3 o  522.301  101.821   1.4695   0.4718   0.4257   0.7554   2.1370   0.6041  331.823  141.206  626.266  108.773 -294.4430 178.2434 
1 1 1   34   12    4 o  366.788  140.618   0.8054   0.6648   1.1701   0.7729  -0.2320   1.3036  418.089  153.389  326.959  155.933 91.13031 218.7311 
1 1 1   34   12    5 o  275.382  127.422  -0.0481   0.7625  -0.0481   0.7625   0.0000   0.0000  275.382  127.422  ?   ?  0.000000 127.4222 
1 1 1   34   12    6 o  344.355  120.054   0.7446   0.4672   0.4233   0.7648   0.9360   0.5901  307.340  136.211  371.042  134.349 -63.70148 191.3191 
1 1 1   34   14    0 o  669.322   85.457   2.2585   0.5143   2.8986   0.7824   1.7715   0.6825  730.378  120.633  556.680  134.690 173.6976 180.8143 
1 1 1   34   14    1 o  785.019   80.910   3.0960   0.5761   3.8309   0.8997   2.5853   0.7500  834.237  120.709  679.983  124.452 154.2545 173.3753 
1 1 1   34   14    2 o  333.418  116.401   0.6052   0.4393   0.3670   0.7395   0.7351   0.5461  322.369  138.510  360.160  129.396 -37.79141 189.5473 
1 1 1   34   14    3 o  319.781  114.265   0.5620   0.4253   1.4667   0.7603   0.1500   0.5131  464.214  153.246  263.174  114.222 201.0394 191.1311 
1 1 1   34   14    4 o  296.022  111.860   0.4671   0.4169   0.6816   0.7658   0.3767   0.4970  343.474  143.962  287.307  117.768 56.16681 185.9955 
1 1 1   34   14    5 o  288.355  115.635   0.4332   0.4672   1.7266   1.1603   0.1829   0.5104  425.118  177.612  258.051  112.924 167.0673 210.4707 
1 1 1   34   16    0 o  778.714   75.968   3.0339   0.5374   3.3815   0.7856   2.7281   0.7368  788.463  111.383  700.381  118.554 88.08136 162.6690 
1 1 1   34   16    1 o  730.610   75.520   2.6931   0.5004   2.6136   0.7736   2.7503   0.6561  665.540  130.983  713.028  102.988 -47.48816 166.6221 
1 1 1   34   16    2 o  629.456   80.154   2.0473   0.4537   2.2619   0.8049   1.9474   0.5493  587.302  148.776  592.221  104.628 -4.919983 181.8826 
1 1 1   34   16    3 o  568.953   83.951   1.7150   0.4263   1.9971   0.8229   1.6115   0.4984  524.737  157.697  531.761  105.580 -7.023743 189.7773 
1 1 1   34   16    4 o  370.487  169.605   1.0881   1.3011   1.0881   1.3011   0.0000   0.0000  370.487  169.605  ?   ?  0.000000 169.6046 
1 1 1   34   18    0 o  327.333  109.970   0.5987   0.3912   1.1813   0.6606   0.2842   0.4854  426.836  142.917  276.951  115.224 149.8847 183.5800 
1 1 1   34   18    1 o  238.308  111.958  -0.2827   0.6257  -0.5013   0.6709   1.1791   1.7346  231.282  110.728  398.316  186.900 -167.0345 217.2382 
1 1 1   34   18    2 o  346.540  144.825   0.7470   0.7717   0.7470   0.7717   0.0000   0.0000  346.540  144.825  ?   ?  0.000000 144.8246 
1 1 1   35    1    0 f  813.276   85.445   3.2308   0.6299   3.5698   0.8890   2.8892   0.8925  833.664  119.293  737.030  136.636 96.63397 181.3844 
1 1 1   35    1    1 o  881.941   77.662   3.7758   0.6238   3.2757   0.8634   4.3219   0.9023  791.613  122.489  922.289  108.388 -130.6762 163.5593 
1 1 1   35    1    2 o  413.994  126.504   0.9257   0.5264   2.1835   0.8130   0.0180   0.6907  622.904  144.627  295.284  130.223 327.6199 194.6147 
1 1 1   35    1    3 o  661.742   99.421   2.2545   0.5867   1.7637   0.8032   2.8160   0.8590  544.355  153.639  710.062  136.428 -165.7072 205.4688 
1 1 1   35    1    4 o  206.355   97.721  -0.4383   0.4942  -0.7004   0.6858  -0.1553   0.7127  231.604  111.165  275.808  125.984 -44.20430 168.0166 
1 1 1   35    1    5 o  385.225  127.081   0.8606   0.5229   1.9905   0.7891  -0.0238   0.6981  562.758  149.758  279.796  126.576 282.9626 196.0840 
1 1 1   35    1    6 o  203.118   96.173  -0.3670   0.4783  -0.5271   0.6794  -0.2098   0.6734  233.414  111.665  254.547  118.453 -21.13242 162.7889 
1 1 1   35    1    7 o  876.601   79.976   4.0107   0.6380   3.2504   0.8980   4.7855   0.9065  704.498  143.407  912.324  110.223 -207.8265 180.8716 
1 1 1   35    1    8 o  728.707  161.766   3.9658   1.0564   3.9751   1.4719   3.9559   1.5171  576.567  211.655  561.986  213.135 14.58142 300.3739 
1 1 1   35    3    0 o  679.101  105.865   2.3354   0.6400   1.7292   0.8968   2.9644   0.9135  550.751  164.423  744.485  138.443 -193.7337 214.9456 
1 1 1   35    3    1 o  611.793  123.132   1.9839   0.6692   2.2245   1.2026   1.8759   0.8054  595.752  192.499  576.694  150.261 19.05731 244.2013 
1 1 1   35    3    2 o  296.783  125.119   0.2029   0.5840  -0.0349   1.0656   0.3049   0.6981  345.944  156.452  327.063  137.285 18.88055 208.1455 
1 1 1   35    3    3 f  516.151  118.122   1.4500   0.5489   0.5660   0.7805   2.3149   0.7720  362.867  148.027  642.102  134.954 -279.2348 200.3115 
1 1 1   35    3    4 o  261.638  111.302   0.1423   0.4690   0.1557   0.6795   0.1301   0.6483  298.793  130.535  291.344  127.386 7.449188 182.3918 
1 1 1   35    3    5 f  703.016   92.744   2.5856   0.5853   1.3399   0.8327   3.8021   0.8229  448.985  159.944  835.120  109.740 -386.1359 193.9711 
1 1 1   35    3    6 f  461.953  122.793   1.2836   0.5309   1.8734   0.8023   0.8240   0.7082  521.294  155.487  366.165  143.805 155.1295 211.7927 
1 1 1   35    3    7 o  629.434  111.212   2.3083   0.6206   1.6179   0.7870   3.4428   1.0089  464.269  155.988  693.682  161.145 -229.4135 224.2764 
1 1 1   35    3    8 o  680.399  169.827   3.6737   1.0599   2.9292   1.3770   4.7558   1.6602  490.320  197.856  593.941  223.493 -103.6212 298.4897 
1 1 1   35    5    0 o  615.620  105.212   1.9304   0.5746   1.7625   0.8067   2.1033   0.8187  560.383  152.405  617.301  146.352 -56.91760 211.2966 
1 1 1   35    5    1 o  730.663   91.668   2.6650   0.6027   2.6114   0.8657   2.7154   0.8398  688.362  141.400  708.405  133.728 -20.04309 194.6206 
1 1 1   35    5    2 o  563.520  107.067   1.6618   0.5349   1.6857   0.7696   1.6394   0.7439  538.287  149.857  532.805  146.965 5.482666 209.8948 
1 1 1   35    5    3 o  967.851   74.005   4.5963   0.6541   4.0256   0.9433   5.1246   0.9077  861.369  122.465  997.209  100.283 -135.8397 158.2858 
1 1 1   35    5    4 o  491.426  119.756   1.3607   0.5366   1.1155   0.7730   1.5887   0.7454  426.165  153.844  505.900  149.643 -79.73532 214.6188 
1 1 1   35    5    5 o  377.971  125.674   0.8391   0.5110   1.0178   0.7837   0.7069   0.6740  400.821  152.907  356.360  140.183 44.46118 207.4414 
1 1 1   35    5    6 o  350.291  128.662   0.7389   0.5440   0.9376   1.1564   0.6825   0.6165  379.973  167.987  341.826  134.199 38.14676 215.0090 
1 1 1   35    5    7 o  430.798  135.464   1.2590   0.5987   1.1851   1.2158   1.2827   0.6879  380.533  169.999  421.163  145.738 -40.63022 223.9174 
1 1 1   35    7    0 o  370.467  136.544   0.6609   0.6135   0.8627   1.1413   0.5789   0.7275  435.738  178.520  368.988  145.487 66.75015 230.2946 
1 1 1   35    7    1 o  880.830   91.818   3.8790   0.7333   3.8670   1.3374   3.8841   0.8768  787.294  187.330  864.531  112.912 -77.23682 218.7279 
1 1 1   35    7    2 o  291.784  122.861   0.2151   0.5620   0.9689   1.0973  -0.0529   0.6543  428.320  175.212  278.233  124.473 150.0869 214.9246 
1 1 1   35    7    3 o  831.076   93.274   3.5422   0.7010   3.2450   1.3123   3.6609   0.8292  672.228  198.471  827.376  111.775 -155.1483 227.7813 
1 1 1   35    7    4 f  239.554  106.879  -0.0287   0.4789   1.3153   0.7480  -0.9624   0.6234  453.757  152.074  201.230   98.695 252.5260 181.2927 
1 1 1   35    7    5 o  478.375  132.905   1.4164   0.6060  -1.3832   1.1589   2.4698   0.7109  265.095  130.894  650.462  123.288 -385.3668 179.8139 
1 1 1   35    7    6 o  551.574  121.589   1.8381   0.6005   2.4192   1.2292   1.6559   0.6882  504.913  191.763  495.478  143.004 9.435272 239.2135 
1 1 1   35    7    7 o  448.086  131.906   1.3521   0.5804   0.8884   1.2315   1.4845   0.6581  354.351  163.244  456.490  141.773 -102.1384 216.2133 
1 1 1   35    9    0 o  481.588  133.164   1.2826   0.6099   3.1597   1.0928   0.4335   0.7350  732.823  165.925  348.040  143.003 384.7831 219.0454 
1 1 1   35    9    1 o  972.016   85.337   4.6981   0.7555   4.8569   1.2850   4.6142   0.9340  911.955  158.913  940.893  109.959 -28.93811 193.2470 
1 1 1   35    9    2 o  417.613  134.279   0.9968   0.5857   2.2358   1.2196   0.6255   0.6677  560.095  194.038  357.523  139.864 202.5724 239.1916 
1 1 1   35    9    3 o  647.923  112.563   2.2930   0.6467   1.0680   1.1527   2.8557   0.7813  420.375  176.429  713.536  123.467 -293.1613 215.3396 
1 1 1   35    9    4 o  309.397  119.362   0.4793   0.4811  -0.4474   0.7657   1.0839   0.6184  255.608  121.217  417.074  138.234 -161.4664 183.8544 
1 1 1   35    9    5 o  496.456  120.258   1.4735   0.5436   0.7449   1.1093   1.7038   0.6235  364.228  162.571  524.694  129.853 -160.4668 208.0652 
1 1 1   35    9    6 o  308.651  120.924   0.5399   0.4997   0.2978   0.9787   0.6252   0.5812  314.081  144.987  324.316  129.345 -10.23505 194.2971 
1 1 1   35   11    0 o  867.624  102.475   3.8729   0.8023   4.4059   0.9235   2.2316   1.6205  917.137  111.734  550.400  217.093 366.7372 244.1599 
1 1 1   35   11    1 o  364.173  143.704   0.6501   0.7103   0.3823   0.8071   1.5704   1.4962  341.243  145.605  481.047  201.396 -139.8036 248.5182 
1 1 1   35   11    2 o  1080.18   91.957   5.9987   0.9053   7.0639   1.0810   3.4979   1.6564  1158.23  102.493  627.832  225.377 530.3937 247.5877 
1 1 1   35   11    3 o  895.633  100.782   4.2930   0.8161   4.3045   0.9244   4.2520   1.7383  875.714  117.692  657.295  231.419 218.4186 259.6274 
1 1 1   35   11    4 f  1033.31   69.053   5.3437   0.6528   6.3343   1.0675   4.7520   0.8250  1061.41  110.939  938.813   96.896 122.5976 147.2965 
1 1 1   35   11    5 o  553.317  109.267   1.7757   0.5366   1.0841   0.8174   2.2993   0.7113  386.477  153.633  603.511  131.776 -217.0341 202.4059 
1 1 1   35   13    0 o  384.723  122.079   0.8215   0.4853   0.6330   0.7505   0.9571   0.6363  363.316  146.254  407.678  140.214 -44.36240 202.6085 
1 1 1   35   13    1 o  231.100  106.304  -0.2030   0.5196  -1.2378   0.7780   0.6302   0.6981  219.760  108.268  353.453  141.489 -133.6927 178.1605 
1 1 1   35   13    2 f  328.405  122.037   0.5799   0.4920   0.6097   0.7861   0.5607   0.6308  349.755  146.166  333.628  134.165 16.12704 198.4052 
1 1 1   35   13    3 f  825.846   80.349   3.5151   0.6029   2.4768   0.9162   4.3079   0.8006  594.024  162.788  890.645   99.379 -296.6209 190.7253 
1 1 1   35   13    4 o  1127.80  106.016   7.1852   1.0873   7.1852   1.0873   0.0000   0.0000  1127.80  106.016  ?   ?  0.000000 106.0161 
1 1 1   35   15    0 o  232.114  104.436  -0.0701   0.4678  -0.0796   0.7401  -0.0637   0.6037  281.197  128.422  260.076  117.675 21.12076 174.1829 
1 1 1   35   15    1 o  518.198  105.898   1.4883   0.4879   0.7356   0.8096   1.9176   0.6114  363.027  149.730  577.610  118.993 -214.5823 191.2546 
1 1 1   35   15    2 o  273.315  109.849   0.3269   0.4226  -0.2769   0.7762   0.5813   0.5039  263.649  124.125  323.302  122.779 -59.65286 174.5902 
1 1 1   35   15    3 o  558.875  164.886   2.3507   0.9060   2.3507   0.9060   0.0000   0.0000  558.875  164.886  ?   ?  0.000000 164.8860 
1 1 1   35   17    0 o  556.800  104.520   1.7173   0.5158   1.4340   0.8250   1.8991   0.6610  451.044  159.355  559.488  130.747 -108.4435 206.1282 
1 1 1   36    0    0 o  1620.47   91.424   12.716   1.3533   12.716   1.3533   12.716   1.3533  1620.47   91.424  1620.47   91.424 0.000000 0.000000 
1 1 1   36    0    1 o  953.218  114.257   4.6367   0.9641   4.6367   0.9641   4.6367   0.9641  953.218  114.257  953.218  114.257 0.000000 0.000000 
1 1 1   36    0    2 o  1093.89  103.885   5.9908   1.0240   5.9908   1.0240   5.9908   1.0240  1093.89  103.885  1093.89  103.885 0.000000 0.000000 
1 1 1   36    0    3 o  375.713  190.598   1.1887   0.8228   1.1887   0.8228   1.1887   0.8228  375.713  190.598  375.713  190.598 0.000000 0.000000 
1 1 1   36    0    4 o  1122.34  105.626   6.3868   1.0686   6.3868   1.0686   6.3868   1.0686  1122.34  105.626  1122.34  105.626 0.000000 0.000000 
1 1 1   36    0    5 o  663.033  155.146   2.6126   0.8227   2.6126   0.8227   2.6126   0.8227  663.033  155.146  663.033  155.146 0.000000 0.000000 
1 1 1   36    0    6 o  869.792  123.774   4.0908   0.9326   4.0908   0.9326   4.0908   0.9326  869.792  123.774  869.792  123.774 0.000000 0.000000 
1 1 1   36    2    0 o  848.891   88.280   3.5580   0.6795   4.3619   0.9917   2.8466   0.9329  915.329  120.682  717.758  146.215 197.5714 189.5864 
1 1 1   36    2    1 o  545.611  120.001   1.5973   0.5861   1.1618   0.8658   1.9656   0.7963  452.418  162.887  586.584  147.633 -134.1661 219.8355 
1 1 1   36    2    2 o  542.264  120.682   1.6056   0.5867   1.0642   0.8482   2.1020   0.8123  431.130  160.234  599.683  148.082 -168.5535 218.1815 
1 1 1   36    2    3 o  273.204  116.369   0.1643   0.5139   0.1588   0.7297   0.1698   0.7239  306.730  134.603  307.030  134.417 -0.3005066 190.2265 
1 1 1   36    2    4 o  574.891  121.394   1.8817   0.6220   2.1239   0.9022   1.6623   0.8588  563.283  164.065  496.606  162.814 66.67746 231.1405 
1 1 1   36    2    5 o  474.892  125.513   1.3599   0.5568   1.0017   0.7839   1.7245   0.7909  391.942  152.038  501.346  155.375 -109.4041 217.3863 
1 1 1   36    2    6 o  207.958   98.766  -0.3666   0.5120  -0.7379   0.7396  -0.0249   0.7095  227.582  110.719  268.863  123.876 -41.28067 166.1443 
1 1 1   36    4    0 o  473.181  128.713   1.2170   0.5753   1.7864   0.8640   0.7635   0.7711  553.979  160.329  396.687  151.589 157.2917 220.6459 
1 1 1   36    4    1 o  748.422  110.412   2.9184   0.7375   2.7888   1.3523   2.9733   0.8799  638.295  203.912  735.335  135.022 -97.03998 244.5628 
1 1 1   36    4    2 o  625.907  122.883   2.1454   0.6825   3.0012   1.4740   1.9119   0.7700  631.157  213.465  570.654  146.029 60.50342 258.6344 
1 1 1   36    4    3 o  454.669  129.109   1.1961   0.5654   1.4889   0.7929   0.8933   0.8064  485.605  156.249  396.673  154.113 88.93152 219.4639 
1 1 1   36    4    4 o  628.072  107.707   2.1595   0.6001   1.4865   0.8514   2.8238   0.8459  467.184  162.107  685.622  138.837 -218.4386 213.4346 
1 1 1   36    4    5 o  279.153  117.186   0.2885   0.5087  -0.4807   0.7529   0.9348   0.6901  247.987  118.336  381.940  144.017 -133.9534 186.3981 
1 1 1   36    4    6 o  812.709  100.599   3.6840   0.7362   3.5875   1.4317   3.7186   0.8584  585.056  209.586  785.185  122.839 -200.1284 242.9320 
1 1 1   36    6    0 o  168.005   83.806  -1.2574   0.5244  -1.5071   0.7819  -1.0533   0.7069  215.471  106.599  220.704  107.564 -5.233414 151.4378 
1 1 1   36    6    1 o  819.672   85.092   3.3485   0.6324   3.6631   0.9297   3.0775   0.8628  821.619  127.073  749.710  129.775 71.90936 181.6292 
1 1 1   36    6    2 o  540.108  120.328   1.6129   0.5827   1.5329   0.8653   1.6793   0.7882  492.423  163.525  523.593  153.601 -31.16959 224.3515 
1 1 1   36    6    3 o  499.653  125.290   1.4395   0.5750   1.1774   0.8305   1.6807   0.7968  430.773  158.859  511.813  155.480 -81.03976 222.2843 
1 1 1   36    6    4 o  455.845  128.139   1.2530   0.5599   1.8358   0.8975   0.8817   0.7163  508.447  166.437  380.099  145.903 128.3488 221.3349 
1 1 1   36    6    5 o  285.384  122.416   0.2882   0.5759   0.8556   1.2226   0.1264   0.6529  374.152  168.542  277.526  124.237 96.62665 209.3825 
1 1 1   36    8    0 o  322.779  132.504   0.3616   0.6303  -0.2321   1.1183   0.6380   0.7631  336.383  155.177  373.219  148.412 -36.83664 214.7237 
1 1 1   36    8    1 o  826.596  125.402   3.7380   0.9239   0.0000   0.0000   3.7380   0.9239  ?   ?   826.596  125.402 0.000000 125.4024 
1 1 1   36    8    2 o  260.840  120.780  -0.2622   0.6869   0.0000   0.0000  -0.2622   0.6869  ?   ?   260.840  120.780 0.000000 120.7796 
1 1 1   36    8    3 o  331.937  138.291   0.4935   0.7006   0.0000   0.0000   0.4935   0.7006  ?   ?   331.937  138.291 0.000000 138.2912 
1 1 1   36    8    4 f  248.565  116.375  -0.2675   0.6662   0.0000   0.0000  -0.2675   0.6662  ?   ?   248.565  116.375 0.000000 116.3751 
1 1 1   36    8    5 o  424.915  128.278   1.1530   0.5436   0.2514   0.8551   1.7647   0.7043  306.249  139.153  510.685  143.781 -204.4356 200.0914 
1 1 1   36   10    0 o  551.267  119.705   1.6640   0.5898   0.8585   0.8779   2.3268   0.7963  402.638  159.478  637.237  139.660 -234.5994 211.9867 
1 1 1   36   10    1 o  838.961   86.714   3.5736   0.6598   3.5876   0.9936   3.5625   0.8824  782.466  143.280  801.482  123.619 -19.01556 189.2372 
1 1 1   36   10    2 o  350.585  126.754   0.6825   0.5250   0.7906   0.8591   0.6180   0.6633  377.878  154.859  346.662  138.206 31.21646 207.5628 
1 1 1   36   10    3 o  337.992  126.045   0.6421   0.5258   0.4566   0.7969   0.7850   0.6996  330.384  142.873  364.026  142.942 -33.64227 202.1014 
1 1 1   36   10    4 o  619.362  101.777   2.1327   0.5599   1.7938   0.9046   2.3431   0.7128  481.986  167.102  617.804  129.532 -135.8177 211.4279 
1 1 1   36   12    0 o  438.124  154.631   1.1889   0.7766   1.6133   0.9082   0.0346   1.4978  493.928  167.555  372.500  174.431 121.4277 241.8697 
1 1 1   36   12    1 o  399.094  153.409   0.9740   0.7926   1.0814   0.8927   0.5740   1.7226  412.788  161.651  399.706  187.136 13.08261 247.2871 
1 1 1   36   12    2 o  383.605  156.543   0.9136   0.8733   0.9136   0.8733   0.0000   0.0000  383.605  156.543  ?   ?  0.000000 156.5433 
1 1 1   36   12    3 o  234.738  113.680  -0.6945   0.7566  -0.6945   0.7566   0.0000   0.0000  234.738  113.680  ?   ?  0.000000 113.6796 
1 1 1   36   14    0 o  465.009  129.383   1.2901   0.5738   0.8330   0.7986   1.7781   0.8251  379.092  151.483  516.668  158.467 -137.5758 219.2239 
1 1 1   36   14    1 o  238.408  107.757  -0.0560   0.5047   0.5117   0.8597  -0.3544   0.6234  340.259  147.766  235.526  110.992 104.7334 184.8079 
1 1 1   36   14    2 o  224.066  110.543  -1.1441   0.8206  -1.1441   0.8206   0.0000   0.0000  224.066  110.543  ?   ?  0.000000 110.5427 
1 1 1   36   16    0 o  517.185  220.565   3.1008   1.8503   0.0000   0.0000   3.1008   1.8503  ?   ?   517.185  220.565 0.000000 220.5653 
1 1 1   37    1    0 o  633.912  117.284   2.1315   0.6589   1.5238   0.9465   2.7031   0.9179  502.045  171.046  689.086  149.097 -187.0413 226.9072 
1 1 1   37    1    1 o  246.642  112.152  -0.1719   0.5567  -0.6055   0.7840   0.2694   0.7908  259.047  122.792  330.894  142.707 -71.84677 188.2636 
1 1 1   37    1    2 o  229.000  106.783  -0.3274   0.5517  -0.0623   0.8129  -0.5539   0.7512  298.728  135.713  253.011  120.009 45.71689 181.1636 
1 1 1   37    1    3 o  281.197  121.325   0.1839   0.5720  -0.0611   0.8309   0.4046   0.7887  295.636  135.413  331.975  142.849 -36.33887 196.8308 
1 1 1   37    1    4 o  485.526  132.193   1.4507   0.6065   2.1304   0.8869   0.8538   0.8312  552.207  163.200  375.090  152.856 177.1169 223.6050 
1 1 1   37    3    0 o  1037.91   82.859   5.3132   0.7847   6.4008   1.1601   4.3958   1.0655  1106.05  115.702  898.646  132.860 207.3995 176.1781 
1 1 1   37    3    1 o  475.056  131.935   1.2820   0.5973   0.4802   0.8043   2.2676   0.8918  353.887  147.870  612.479  157.387 -258.5923 215.9541 
1 1 1   37    3    2 o  431.066  136.905   1.0945   0.6103   0.8186   0.8907   1.3385   0.8378  390.828  158.629  459.188  160.723 -68.35925 225.8204 
1 1 1   37    3    3 o  328.493  128.085   0.5449   0.5586   0.1100   0.7984   0.9617   0.7818  304.299  136.720  396.641  152.385 -92.34164 204.7274 
1 1 1   37    3    4 o  257.101  114.307   0.0583   0.5428   0.2294   0.7902  -0.0946   0.7468  307.074  137.126  274.831  126.792 32.24298 186.7611 
1 1 1   37    3    5 o  802.837  179.636   4.8486   1.2939   4.8486   1.2939   0.0000   0.0000  802.837  179.636  ?   ?  0.000000 179.6356 
1 1 1   37    5    0 o  543.187  133.839   1.6571   0.6646   2.7569   0.9910   0.7580   0.8960  679.658  160.942  396.576  159.750 283.0821 226.7650 
1 1 1   37    5    1 o  1133.54   87.687   6.4670   0.9075   5.5149   1.5946   6.9232   1.1037  904.281  197.191  1151.74  105.305 -247.4611 223.5474 
1 1 1   37    5    2 o  365.928  142.426   0.7174   0.6897  -0.4496   1.2174   1.2689   0.8370  321.389  152.539  445.299  160.171 -123.9100 221.1853 
1 1 1   37    5    3 o  291.024  124.193   0.2654   0.5873   0.6632   0.9162  -0.0121   0.7652  363.268  155.072  287.869  131.124 75.39871 203.0784 
1 1 1   37    5    4 o  391.865  136.980   0.9776   0.6085   1.0749   0.9204   0.9020   0.8110  395.530  160.979  376.073  151.807 19.45685 221.2677 
1 1 1   37    7    0 o  943.374   99.328   4.5734   0.8493   5.8184   1.5894   4.0759   1.0047  950.131  188.454  858.484  131.367 91.64648 229.7220 
1 1 1   37    7    1 o  665.330  126.137   2.4830   0.7440   2.2020   1.3905   2.5956   0.8806  532.781  203.572  656.955  149.091 -124.1731 252.3287 
1 1 1   37    7    2 o  536.666  134.559   1.7202   0.6633   3.0152   1.3111   1.2748   0.7689  616.053  201.134  444.639  154.065 171.4138 253.3594 
1 1 1   37    7    3 o  232.638  109.909  -0.3847   0.6184  -1.4027   1.1533   0.0260   0.7326  264.527  130.605  284.000  128.949 -19.47302 183.5366 
1 1 1   37    7    4 o  322.793  155.854  -0.2683   1.3955   0.0000   0.0000  -0.2683   1.3955  ?   ?   322.793  155.854 0.000000 155.8538 
1 1 1   37    9    0 o  1327.52   70.860   8.6273   0.8625   8.0746   1.2400   9.1452   1.2004  1232.85  110.479  1330.07   98.782 -97.22107 148.2010 
1 1 1   37    9    1 o  325.916  129.154   0.5041   0.5760   0.4556   0.8597   0.5435   0.7760  345.425  148.886  347.740  145.264 -2.315460 208.0115 
1 1 1   37    9    2 o  433.537  141.567   1.1879   0.6495   1.8139   1.2949   0.9775   0.7508  470.778  191.200  394.771  149.884 76.00668 242.9456 
1 1 1   37    9    3 o  255.153  124.338  -0.8781   0.9437  -0.6275   1.2566  -1.2022   1.4290  300.971  145.936  295.759  145.905 5.212708 206.3624 
1 1 1   37   11    0 o  639.256  113.535   2.2456   0.6434   2.3483   0.9584   2.1615   0.8680  593.666  167.930  580.342  158.203 13.32428 230.7138 
1 1 1   37   11    1 o  322.263  129.128   0.5035   0.5821   1.6818   0.9263  -0.2654   0.7482  486.001  169.058  265.905  124.114 220.0961 209.7255 
1 1 1   37   11    2 o  1156.82   77.952   6.8196   0.8249   7.6869   1.2000   6.0425   1.1359  1168.81  112.989  1018.08  123.800 150.7232 167.6091 
1 1 1   37   13    0 o  601.496  178.544   2.6248   1.0598   2.6248   1.0598   0.0000   0.0000  601.496  178.544  ?   ?  0.000000 178.5445 
1 1 1   37   13    1 o  629.393  173.309   2.8688   1.0356   3.9048   1.2273   0.3088   1.9294  725.126  183.721  378.333  182.811 346.7939 259.1784 
1 1 1   38    0    0 o  247.968  162.358   0.1965   0.9197   0.1965   0.9197   0.1965   0.9197  247.968  162.358  247.968  162.358 0.000000 0.000000 
1 1 1   38    0    1 o  303.056  178.552   0.7794   0.8487   0.7794   0.8487   0.7794   0.8487  303.056  178.552  303.056  178.552 0.000000 0.000000 
1 1 1   38    0    2 o  190.229  132.152  -0.4323   0.8139  -0.4323   0.8139  -0.4323   0.8139  190.229  132.152  190.229  132.152 0.000000 0.000000 
1 1 1   38    0    3 o  211.612  141.844  -0.0181   0.7723  -0.0181   0.7723  -0.0181   0.7723  211.612  141.844  211.612  141.844 0.000000 0.000000 
1 1 1   38    2    0 o  815.131  101.606   3.4429   0.7456   2.6883   1.0433   4.2303   1.0658  651.866  171.593  866.236  138.365 -214.3702 220.4295 
1 1 1   38    2    1 o  239.026  111.478  -0.3317   0.6017  -0.7376   0.8210   0.1395   0.8845  253.755  121.752  323.657  144.763 -69.90164 189.1557 
1 1 1   38    2    2 o  628.466  123.411   2.2530   0.6882   2.7146   1.0176   1.8639   0.9343  632.339  170.843  517.719  169.827 114.6198 240.8909 
1 1 1   38    2    3 o  300.294  127.286   0.3401   0.6097  -0.0880   0.9150   0.6819   0.8176  297.970  138.466  355.707  148.894 -57.73706 203.3281 
1 1 1   38    4    0 o  1394.79   73.492   9.5340   0.9399   9.4470   1.3184   9.6240   1.3403  1342.71  107.610  1353.93  108.494 -11.21716 152.8102 
1 1 1   38    4    1 o  558.411  132.020   1.8115   0.6677   2.8414   0.9942   0.9653   0.9011  667.890  163.162  406.000  161.333 261.8896 229.4565 
1 1 1   38    4    2 o  533.794  130.795   1.6929   0.6374   1.3405   0.9210   2.0168   0.8830  442.533  166.474  545.996  163.186 -103.4629 233.1166 
1 1 1   38    4    3 o  924.276   89.578   4.4869   0.7523   4.9948   1.1413   4.0967   1.0003  897.574  142.986  820.015  137.439 77.55988 198.3293 
1 1 1   38    6    0 o  365.479  140.108   0.6991   0.6600   0.2680   0.9687   1.0726   0.9017  345.052  153.089  423.574  163.407 -78.52200 223.9154 
1 1 1   38    6    1 f  343.305  139.950   0.5596   0.6970   0.4499   1.3335   0.6008   0.8176  378.768  172.749  356.975  149.117 21.79330 228.2062 
1 1 1   38    6    2 o  313.154  134.327   0.3551   0.6935   0.4644   1.2317   0.3043   0.8391  363.908  165.991  322.740  142.872 41.16794 219.0096 
1 1 1   38    8    0 o  1111.86   96.439   6.4203   0.9769   5.8083   1.9208   6.6338   1.1346  819.500  239.596  1107.65  112.896 -288.1530 264.8615 
1 1 1   38    8    1 o  329.633  134.117   0.5141   0.6386   0.1772   0.9378   0.8053   0.8720  324.706  146.814  378.291  155.636 -53.58426 213.9554 
1 1 1   38    8    2 o  421.146  167.605   1.2649   0.9739   1.2649   0.9739   0.0000   0.0000  421.146  167.605  ?   ?  0.000000 167.6050 
1 1 1   38   10    0 o  368.893  145.318   0.7587   0.7252  -1.4111   1.2934   1.7536   0.8758  285.897  140.608  508.267  164.287 -222.3697 216.2421 
1 1 1   38   10    1 o  257.752  126.266  -1.1166   1.0112  -1.5514   1.2510  -0.2971   1.7175  271.873  134.561  353.981  171.390 -82.10812 217.9020 
1 1 1   39    1    0 o  519.422  146.473   1.6423   0.7303   1.9106   1.0523   1.3929   1.0144  524.391  180.319  459.870  174.317 64.52173 250.8012 
1 1 1   39    1    1 o  277.331  122.887   0.0757   0.6222  -0.5476   0.9071   0.6297   0.8552  274.650  130.734  361.100  151.778 -86.44980 200.3198 
1 1 1   39    1    2 o  305.234  133.667   0.2646   0.7162  -0.3200   0.8810   1.4041   1.2300  280.147  131.997  433.216  182.053 -153.0692 224.8705 
1 1 1   39    3    0 o  950.132   95.609   4.6747   0.8245   3.5398   1.1342   5.9469   1.2008  741.737  169.831  1027.03  129.978 -285.2929 213.8617 
1 1 1   39    3    1 o  527.992  138.478   1.6951   0.6811   3.6939   1.0651   0.3124   0.8859  766.091  156.389  332.025  146.900 434.0660 214.5626 
1 1 1   39    3    2 o  302.874  148.252  -1.0300   1.3857  -1.0300   1.3857   0.0000   0.0000  302.874  148.252  ?   ?  0.000000 148.2520 
1 1 1   39    5    0 o  538.540  143.179   1.7627   0.7218   3.0419   1.0893   0.7617   0.9636  674.658  174.250  384.355  161.310 290.3032 237.4532 
1 1 1   39    5    1 o  412.246  144.301   1.0599   0.6753   0.6911   1.0017   1.3672   0.9144  371.931  160.509  445.901  166.242 -73.97003 231.0831 
1 1 1   39    5    2 o  343.233  162.940   0.0040   1.3905   0.0040   1.3905   0.0000   0.0000  343.233  162.940  ?   ?  0.000000 162.9400 
1 1 1   39    7    0 o  541.143  149.986   1.8471   0.7727   1.1375   1.4091   2.1522   0.9241  425.360  186.848  565.646  166.414 -140.2860 250.2115 
1 1 1   39    7    1 o  373.349  163.449   0.7104   1.0703   2.1186   1.4199  -1.1423   1.6286  490.582  199.838  321.779  158.161 168.8036 254.8528 
1 1 1   39    9    0 o  373.196  176.742   0.1762   1.6170   0.0000   0.0000   0.1762   1.6170  ?   ?   373.196  176.742 0.000000 176.7418 
1 1 1   40    0    0 o  259.098  179.976  -0.1780   1.5086  -0.1780   1.5086  -0.1780   1.5086  259.098  179.976  259.098  179.976 0.000000 0.000000 
1 1 1   40    2    0 o  311.466  146.750  -0.3231   1.0888   1.1597   1.5059  -1.9470   1.5760  429.717  190.755  300.492  149.129 129.2249 242.1304 
#END OF REFLECTIONS
