data_r4uw4sf
# 
_audit.revision_id     1_0 
_audit.creation_date   ? 
_audit.update_record   'Initial release' 
# 
_cell.entry_id      4uw4 
_cell.length_a      38.9500 
_cell.length_b      58.4900 
_cell.length_c      115.0001 
_cell.angle_alpha   90.0000 
_cell.angle_beta    90.0000 
_cell.angle_gamma   90.0000 
# 
_diffrn.id                  1 
_diffrn.crystal_id          1 
_diffrn.ambient_temp        ? 
_diffrn.crystal_treatment   ? 
_diffrn.details             ? 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.97949 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   1.766 
_diffrn_reflns.pdbx_d_res_low    58.490 
_diffrn_reflns.limit_h_max       22 
_diffrn_reflns.limit_h_min       0 
_diffrn_reflns.limit_k_max       33 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       65 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            26583 
_diffrn_reflns.pdbx_number_obs   25669 
# 
_entry.id   4uw4 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               4uw4 
_symmetry.space_group_name_H-M   'P 21 2 21' 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 'X,  Y,  Z'           
2 'X+1/2,  -Y,  -Z+1/2' 
3 '-X,  Y,  -Z'         
4 '-X+1/2,  -Y,  Z+1/2' 
# 
#
loop_
_refln.crystal_id
_refln.wavelength_id
_refln.scale_group_code
_refln.index_h
_refln.index_k
_refln.index_l
_refln.status
_refln.F_meas_au
_refln.F_meas_sigma_au
_refln.intensity_meas
_refln.intensity_sigma
_refln.pdbx_I_plus
_refln.pdbx_I_plus_sigma
_refln.pdbx_I_minus
_refln.pdbx_I_minus_sigma
_refln.pdbx_F_plus
_refln.pdbx_F_plus_sigma
_refln.pdbx_F_minus
_refln.pdbx_F_minus_sigma
_refln.pdbx_anom_difference
_refln.pdbx_anom_difference_sigma
1 1 1    0    0    2 o  381.143   7.4981 22198.77  871.517 22198.77  871.517 22198.77  871.517  381.143   7.4981  381.143   7.4981 -0.000000 0.000000 
1 1 1    0    0    4 o  954.856   56.586 141716.50 16359.03 141716.50 16359.03 141716.50 16359.03  954.856   56.586  954.856   56.586 -0.000000 0.000000 
1 1 1    0    0    6 o  981.355   18.516 147262.30  5541.74 147262.30  5541.74 147262.30  5541.74  981.355   18.516  981.355   18.516 -0.000000 0.000000 
1 1 1    0    0    8 f  466.958   12.839 33367.59  1826.73 33367.59  1826.73 33367.59  1826.73  466.958   12.839  466.958   12.839 0.000000 0.000000 
1 1 1    0    0   10 o  1179.71   31.497 213503.20 11323.12 213503.20 11323.12 213503.20 11323.12  1179.71   31.497  1179.71   31.497 -0.000000 0.000000 
1 1 1    0    0   12 o  1060.69   19.821 172130.80  6412.01 172130.80  6412.01 172130.80  6412.01  1060.69   19.821  1060.69   19.821 0.000000 0.000000 
1 1 1    0    0   14 o  457.078   19.419 32117.26  2698.09 32117.26  2698.09 32117.26  2698.09  457.078   19.419  457.078   19.419 0.000000 0.000000 
1 1 1    0    0   16 o  888.540   16.561 120832.90  4487.84 120832.90  4487.84 120832.90  4487.84  888.540   16.561  888.540   16.561 0.000000 0.000000 
1 1 1    0    0   18 o  521.485   31.620 42231.86  4990.60 42231.86  4990.60 42231.86  4990.60  521.485   31.620  521.485   31.620 0.000000 0.000000 
1 1 1    0    0   20 o  509.622   9.8388 39699.05  1529.12 39699.05  1529.12 39699.05  1529.12  509.622   9.8388  509.622   9.8388 -0.000000 0.000000 
1 1 1    0    0   22 o  266.892   17.632 11024.43  1421.92 11024.43  1421.92 11024.43  1421.92  266.892   17.632  266.892   17.632 -0.000000 0.000000 
1 1 1    0    0   24 o  528.836   10.191 42741.96  1643.50 42741.96  1643.50 42741.96  1643.50  528.836   10.191  528.836   10.191 -0.000000 0.000000 
1 1 1    0    0   26 o  190.712   4.3703  5559.69  254.093  5559.69  254.093  5559.69  254.093  190.712   4.3703  190.712   4.3703 0.000000 0.000000 
1 1 1    0    0   30 o  1152.96   30.806 203978.41 10823.62 203978.41 10823.62 203978.41 10823.62  1152.96   30.806  1152.96   30.806 0.000000 0.000000 
1 1 1    0    0   32 o  1136.85   67.853 202729.00 23352.45 202729.00 23352.45 202729.00 23352.45  1136.85   67.853  1136.85   67.853 -0.000000 0.000000 
1 1 1    0    0   34 o  653.303   12.464 65249.29  2483.36 65249.29  2483.36 65249.29  2483.36  653.303   12.464  653.303   12.464 0.000000 0.000000 
1 1 1    0    0   36 o  311.579   20.213 15033.47  1903.76 15033.47  1903.76 15033.47  1903.76  311.579   20.213  311.579   20.213 -0.000000 0.000000 
1 1 1    0    0   38 o  407.415   7.9987 25373.00  993.785 25373.00  993.785 25373.00  993.785  407.415   7.9987  407.415   7.9987 -0.000000 0.000000 
1 1 1    0    0   40 o  892.644   16.739 122090.70  4557.00 122090.70  4557.00 122090.70  4557.00  892.644   16.739  892.644   16.739 0.000000 0.000000 
1 1 1    0    0   42 o  269.900   5.6907 11136.55  468.325 11136.55  468.325 11136.55  468.325  269.900   5.6907  269.900   5.6907 -0.000000 0.000000 
1 1 1    0    0   44 o  592.343   16.146 53870.72  2914.23 53870.72  2914.23 53870.72  2914.23  592.343   16.146  592.343   16.146 -0.000000 0.000000 
1 1 1    0    0   46 o  634.531   26.856 62501.97  5180.14 62501.97  5180.14 62501.97  5180.14  634.531   26.856  634.531   26.856 -0.000000 0.000000 
1 1 1    0    0   48 o  295.271   8.6398 13357.32  777.140 13357.32  777.140 13357.32  777.140  295.271   8.6398  295.271   8.6398 0.000000 0.000000 
1 1 1    0    0   50 o  135.037   10.140  2834.84  412.515  2834.84  412.515  2834.84  412.515  135.037   10.140  135.037   10.140 0.000000 0.000000 
1 1 1    0    0   52 o  318.082   6.5433 15473.13  634.656 15473.13  634.656 15473.13  634.656  318.082   6.5433  318.082   6.5433 -0.000000 0.000000 
1 1 1    0    0   54 o  107.639   5.6814  1784.13  185.468  1784.13  185.468  1784.13  185.468  107.639   5.6814  107.639   5.6814 -0.000000 0.000000 
1 1 1    0    0   56 o  334.816   6.9196 17150.79  706.453 17150.79  706.453 17150.79  706.453  334.816   6.9196  334.816   6.9196 -0.000000 0.000000 
1 1 1    0    0   58 o   50.684   6.1380  409.398   91.251  409.398   91.251  409.398   91.251   50.684   6.1380   50.684   6.1380 0.000000 0.000000 
1 1 1    0    0   60 o   52.165   18.839  555.694  275.017  555.694  275.017  555.694  275.017   52.165   18.839   52.165   18.839 -0.000000 0.000000 
1 1 1    0    0   64 o  104.275   14.144  1769.49  426.815  1769.49  426.815  1769.49  426.815  104.275   14.144  104.275   14.144 -0.000000 0.000000 
1 1 1    0    1    1 o  813.810   48.579 103327.40 11968.16 103327.40 11968.16 103327.40 11968.16  813.810   48.579  813.810   48.579 0.000000 0.000000 
1 1 1    0    1    2 o  676.913   12.323 70051.15  2544.06 70051.15  2544.06 70051.15  2544.06  676.913   12.323  676.913   12.323 -0.000000 0.000000 
1 1 1    0    1    3 o  694.277   12.559 73692.57  2659.44 73692.57  2659.44 73692.57  2659.44  694.277   12.559  694.277   12.559 0.000000 0.000000 
1 1 1    0    1    4 o  568.394   15.449 49473.55  2675.73 49473.55  2675.73 49473.55  2675.73  568.394   15.449  568.394   15.449 -0.000000 0.000000 
1 1 1    0    1    5 o  320.979   8.8478 15765.38  865.329 15765.38  865.329 15765.38  865.329  320.979   8.8478  320.979   8.8478 -0.000000 0.000000 
1 1 1    0    1    6 o  1082.78   28.461 180056.59  9391.37 180056.59  9391.37 180056.59  9391.37  1082.78   28.461  1082.78   28.461 0.000000 0.000000 
1 1 1    0    1    7 o  165.130   3.2063  4166.36  161.464  4166.36  161.464  4166.36  161.464  165.130   3.2063  165.130   3.2063 0.000000 0.000000 
1 1 1    0    1    8 o  1002.07   26.843 154196.00  8196.78 154196.00  8196.78 154196.00  8196.78  1002.07   26.843  1002.07   26.843 0.000000 0.000000 
1 1 1    0    1    9 o  573.001   15.574 50289.55  2719.25 50289.55  2719.25 50289.55  2719.25  573.001   15.574  573.001   15.574 0.000000 0.000000 
1 1 1    0    1   10 o  1055.72   19.724 170689.30  6350.64 170689.30  6350.64 170689.30  6350.64  1055.72   19.724  1055.72   19.724 -0.000000 0.000000 
1 1 1    0    1   11 o  980.728   17.513 147236.41  5238.60 147236.41  5238.60 147236.41  5238.60  980.728   17.513  980.728   17.513 -0.000000 0.000000 
1 1 1    0    1   12 o  594.989   9.0561 54097.58  1643.76 54097.58  1643.76 54097.58  1643.76  594.989   9.0561  594.989   9.0561 -0.000000 0.000000 
1 1 1    0    1   13 o  135.188   3.2830  2794.29  135.285  2794.29  135.285  2794.29  135.285  135.188   3.2830  135.188   3.2830 0.000000 0.000000 
1 1 1    0    1   14 o  122.345   2.7492  2287.97  102.543  2287.97  102.543  2287.97  102.543  122.345   2.7492  122.345   2.7492 0.000000 0.000000 
1 1 1    0    1   15 o  301.208   4.3284 13857.62  397.751 13857.62  397.751 13857.62  397.751  301.208   4.3284  301.208   4.3284 0.000000 0.000000 
1 1 1    0    1   16 o  200.399   4.1324  6138.08  252.522  6138.08  252.522  6138.08  252.522  200.399   4.1324  200.399   4.1324 0.000000 0.000000 
1 1 1    0    1   17 o   34.768   4.1633  192.315   42.505  192.315   42.505  192.315   42.505   34.768   4.1633   34.768   4.1633 0.000000 0.000000 
1 1 1    0    1   18 o  383.673   9.9931 22540.62  1168.45 22540.62  1168.45 22540.62  1168.45  383.673   9.9931  383.673   9.9931 -0.000000 0.000000 
1 1 1    0    1   19 o  183.780   3.4669  5160.67  194.315  5160.67  194.315  5160.67  194.315  183.780   3.4669  183.780   3.4669 0.000000 0.000000 
1 1 1    0    1   20 o  515.409   6.9976 40582.79  1100.37 40582.79  1100.37 40582.79  1100.37  515.409   6.9976  515.409   6.9976 0.000000 0.000000 
1 1 1    0    1   21 o   75.022   2.4604  861.758   56.201  861.758   56.201  861.758   56.201   75.022   2.4604   75.022   2.4604 -0.000000 0.000000 
1 1 1    0    1   22 o  195.465   4.4264  5840.53  263.773  5840.53  263.773  5840.53  263.773  195.465   4.4264  195.465   4.4264 0.000000 0.000000 
1 1 1    0    1   23 o  627.601   9.7537 60192.55  1867.39 60192.55  1867.39 60192.55  1867.39  627.601   9.7537  627.601   9.7537 0.000000 0.000000 
1 1 1    0    1   24 o   78.440   2.1800  941.193   52.102  941.193   52.102  941.193   52.102   78.440   2.1800   78.440   2.1800 0.000000 0.000000 
1 1 1    0    1   25 o  266.753   4.4349 10869.67  360.859 10869.67  360.859 10869.67  360.859  266.753   4.4349  266.753   4.4349 -0.000000 0.000000 
1 1 1    0    1   26 o  922.963   17.464 130386.70  4915.73 130386.70  4915.73 130386.70  4915.73  922.963   17.464  922.963   17.464 0.000000 0.000000 
1 1 1    0    1   27 o  111.804   3.4145  1913.12  116.274  1913.12  116.274  1913.12  116.274  111.804   3.4145  111.804   3.4145 -0.000000 0.000000 
1 1 1    0    1   28 o  132.139   5.1843  2677.44  208.362  2677.44  208.362  2677.44  208.362  132.139   5.1843  132.139   5.1843 0.000000 0.000000 
1 1 1    0    1   29 o  372.636   23.332 21516.53  2629.91 21516.53  2629.91 21516.53  2629.91  372.636   23.332  372.636   23.332 -0.000000 0.000000 
1 1 1    0    1   30 o  772.801   14.665 91379.24  3456.23 91379.24  3456.23 91379.24  3456.23  772.801   14.665  772.801   14.665 0.000000 0.000000 
1 1 1    0    1   31 o  707.863   19.112 76839.88  4122.42 76839.88  4122.42 76839.88  4122.42  707.863   19.112  707.863   19.112 -0.000000 0.000000 
1 1 1    0    1   32 o  265.587   4.5355 10775.75  367.418 10775.75  367.418 10775.75  367.418  265.587   4.5355  265.587   4.5355 0.000000 0.000000 
1 1 1    0    1   33 o  548.220   8.3357 45923.74  1394.08 45923.74  1394.08 45923.74  1394.08  548.220   8.3357  548.220   8.3357 -0.000000 0.000000 
1 1 1    0    1   34 o  752.155   13.705 86562.16  3143.92 86562.16  3143.92 86562.16  3143.92  752.155   13.705  752.155   13.705 0.000000 0.000000 
1 1 1    0    1   35 f  442.326   11.067 29949.11  1491.96 29949.11  1491.96 29949.11  1491.96  442.326   11.067  442.326   11.067 -0.000000 0.000000 
1 1 1    0    1   36 o  384.930   9.3337 22673.45  1095.16 22673.45  1095.16 22673.45  1095.16  384.930   9.3337  384.930   9.3337 -0.000000 0.000000 
1 1 1    0    1   37 o  330.020   5.2680 16639.90  530.337 16639.90  530.337 16639.90  530.337  330.020   5.2680  330.020   5.2680 0.000000 0.000000 
1 1 1    0    1   38 o  477.638   7.3286 34869.54  1067.84 34869.54  1067.84 34869.54  1067.84  477.638   7.3286  477.638   7.3286 0.000000 0.000000 
1 1 1    0    1   39 o   81.084   4.1382  1011.48  101.805  1011.48  101.805  1011.48  101.805   81.084   4.1382   81.084   4.1382 0.000000 0.000000 
1 1 1    0    1   40 o   87.550   2.8667  1173.73   76.419  1173.73   76.419  1173.73   76.419   87.550   2.8667   87.550   2.8667 0.000000 0.000000 
1 1 1    0    1   41 o   34.657   3.6201  189.287   37.337  189.287   37.337  189.287   37.337   34.657   3.6201   34.657   3.6201 -0.000000 0.000000 
1 1 1    0    1   42 o   69.451   5.4255  750.057  113.396  750.057  113.396  750.057  113.396   69.451   5.4255   69.451   5.4255 0.000000 0.000000 
1 1 1    0    1   43 o   29.887   9.5960  172.877   77.232  172.877   77.232  172.877   77.232   29.887   9.5960   29.887   9.5960 -0.000000 0.000000 
1 1 1    0    1   44 o   38.688   5.8776  243.905   64.658  243.905   64.658  243.905   64.658   38.688   5.8776   38.688   5.8776 0.000000 0.000000 
1 1 1    0    1   45 o  185.519   5.4065  5270.61  305.550  5270.61  305.550  5270.61  305.550  185.519   5.4065  185.519   5.4065 0.000000 0.000000 
1 1 1    0    1   46 o   58.521   3.1767  527.429   56.360  527.429   56.360  527.429   56.360   58.521   3.1767   58.521   3.1767 0.000000 0.000000 
1 1 1    0    1   47 o   36.228   4.9278  211.293   51.642  211.293   51.642  211.293   51.642   36.228   4.9278   36.228   4.9278 -0.000000 0.000000 
1 1 1    0    1   48 o  278.667   19.059 12167.62  1603.70 12167.62  1603.70 12167.62  1603.70  278.667   19.059  278.667   19.059 0.000000 0.000000 
1 1 1    0    1   49 o   48.483   5.2176  371.369   74.948  371.369   74.948  371.369   74.948   48.483   5.2176   48.483   5.2176 -0.000000 0.000000 
1 1 1    0    1   50 o   38.498   3.8548  233.033   44.253  233.033   44.253  233.033   44.253   38.498   3.8548   38.498   3.8548 0.000000 0.000000 
1 1 1    0    1   51 o   52.563   4.2909  430.295   67.785  430.295   67.785  430.295   67.785   52.563   4.2909   52.563   4.2909 0.000000 0.000000 
1 1 1    0    1   52 o  117.631   3.5439  2118.48  126.979  2118.48  126.979  2118.48  126.979  117.631   3.5439  117.631   3.5439 -0.000000 0.000000 
1 1 1    0    1   53 o  195.592   3.5980  5847.39  214.631  5847.39  214.631  5847.39  214.631  195.592   3.5980  195.592   3.5980 -0.000000 0.000000 
1 1 1    0    1   54 o  295.635   7.4439 13395.79  670.731 13395.79  670.731 13395.79  670.731  295.635   7.4439  295.635   7.4439 -0.000000 0.000000 
1 1 1    0    1   55 o  231.149   5.1754  8176.50  364.719  8176.50  364.719  8176.50  364.719  231.149   5.1754  231.149   5.1754 -0.000000 0.000000 
1 1 1    0    1   56 o  116.579   3.7446  2082.00  132.931  2082.00  132.931  2082.00  132.931  116.579   3.7446  116.579   3.7446 0.000000 0.000000 
1 1 1    0    1   57 o   13.022   8.7406 -39.0509   97.891 -39.0509   97.891 -39.0509   97.891   13.022   8.7406   13.022   8.7406 -0.000000 0.000000 
1 1 1    0    1   58 o   89.985   3.5306  1242.40   96.631  1242.40   96.631  1242.40   96.631   89.985   3.5306   89.985   3.5306 -0.000000 0.000000 
1 1 1    0    1   59 o   78.635   3.0798  948.627   73.661  948.627   73.661  948.627   73.661   78.635   3.0798   78.635   3.0798 0.000000 0.000000 
1 1 1    0    1   60 o  120.815   4.6152  2241.06  169.626  2241.06  169.626  2241.06  169.626  120.815   4.6152  120.815   4.6152 -0.000000 0.000000 
1 1 1    0    1   61 o   63.020   4.4225  616.062   84.104  616.062   84.104  616.062   84.104   63.020   4.4225   63.020   4.4225 -0.000000 0.000000 
1 1 1    0    1   62 o  112.766   3.9801  1951.13  136.603  1951.13  136.603  1951.13  136.603  112.766   3.9801  112.766   3.9801 0.000000 0.000000 
1 1 1    0    1   63 o   77.500   4.8992  930.240  114.828  930.240  114.828  930.240  114.828   77.500   4.8992   77.500   4.8992 0.000000 0.000000 
1 1 1    0    1   64 o  105.610   4.9164  1718.88  157.694  1718.88  157.694  1718.88  157.694  105.610   4.9164  105.610   4.9164 0.000000 0.000000 
1 1 1    0    1   65 o   24.382   11.091  133.785   89.402  133.785   89.402  133.785   89.402   24.382   11.091   24.382   11.091 0.000000 0.000000 
1 1 1    0    2    1 o  1078.09   64.580 182976.09 21076.14 182976.09 21076.14 182976.09 21076.14  1078.09   64.580  1078.09   64.580 0.000000 0.000000 
1 1 1    0    2    2 o  119.385   10.645  2227.78  380.794  2227.78  380.794  2227.78  380.794  119.385   10.645  119.385   10.645 0.000000 0.000000 
1 1 1    0    2    4 o  911.325   16.833 127062.10  4678.65 127062.10  4678.65 127062.10  4678.65  911.325   16.833  911.325   16.833 0.000000 0.000000 
1 1 1    0    2    5 o  681.017   12.662 70912.06  2629.95 70912.06  2629.95 70912.06  2629.95  681.017   12.662  681.017   12.662 -0.000000 0.000000 
1 1 1    0    2    6 o  143.828   3.5220  3162.89  154.407  3162.89  154.407  3162.89  154.407  143.828   3.5220  143.828   3.5220 0.000000 0.000000 
1 1 1    0    2    7 o  641.951   11.707 63002.27  2292.03 63002.27  2292.03 63002.27  2292.03  641.951   11.707  641.951   11.707 0.000000 0.000000 
1 1 1    0    2    8 o  278.341   7.9664 11856.76  675.543 11856.76  675.543 11856.76  675.543  278.341   7.9664  278.341   7.9664 0.000000 0.000000 
1 1 1    0    2    9 o  132.771   6.4148  2709.74  258.577  2709.74  258.577  2709.74  258.577  132.771   6.4148  132.771   6.4148 0.000000 0.000000 
1 1 1    0    2   10 o  1396.66   85.693 315347.19 36215.29 315347.19 36215.29 315347.19 36215.29  1396.66   85.693  1396.66   85.693 -0.000000 0.000000 
1 1 1    0    2   11 o  944.313   16.427 136477.00  4731.44 136477.00  4731.44 136477.00  4731.44  944.313   16.427  944.313   16.427 0.000000 0.000000 
1 1 1    0    2   12 o  961.095   17.203 141444.09  5042.71 141444.09  5042.71 141444.09  5042.71  961.095   17.203  961.095   17.203 -0.000000 0.000000 
1 1 1    0    2   13 o  231.180   4.6283  8167.63  326.283  8167.63  326.283  8167.63  326.283  231.180   4.6283  231.180   4.6283 -0.000000 0.000000 
1 1 1    0    2   14 o  943.880   14.118 136355.30  4065.38 136355.30  4065.38 136355.30  4065.38  943.880   14.118  943.880   14.118 -0.000000 0.000000 
1 1 1    0    2   15 o  508.351   6.9372 39484.21  1075.93 39484.21  1075.93 39484.21  1075.93  508.351   6.9372  508.351   6.9372 0.000000 0.000000 
1 1 1    0    2   16 o  796.615   14.786 97236.52  3592.32 97236.52  3592.32 97236.52  3592.32  796.615   14.786  796.615   14.786 0.000000 0.000000 
1 1 1    0    2   17 o  768.746   11.876 90428.38  2784.96 90428.38  2784.96 90428.38  2784.96  768.746   11.876  768.746   11.876 0.000000 0.000000 
1 1 1    0    2   18 o  107.198   4.3714  1762.88  142.489  1762.88  142.489  1762.88  142.489  107.198   4.3714  107.198   4.3714 0.000000 0.000000 
1 1 1    0    2   19 o   69.681   2.4262  743.727   51.459  743.727   51.459  743.727   51.459   69.681   2.4262   69.681   2.4262 -0.000000 0.000000 
1 1 1    0    2   20 o  107.938   3.1994  1782.86  105.193  1782.86  105.193  1782.86  105.193  107.938   3.1994  107.938   3.1994 0.000000 0.000000 
1 1 1    0    2   21 o  768.398   11.850 90272.42  2777.76 90272.42  2777.76 90272.42  2777.76  768.398   11.850  768.398   11.850 -0.000000 0.000000 
1 1 1    0    2   22 o  695.621   17.153 74133.98  3636.90 74133.98  3636.90 74133.98  3636.90  695.621   17.153  695.621   17.153 0.000000 0.000000 
1 1 1    0    2   23 o  100.027   3.1670  1531.63   96.471  1531.63   96.471  1531.63   96.471  100.027   3.1670  100.027   3.1670 -0.000000 0.000000 
1 1 1    0    2   24 o  689.158   17.017 72744.13  3574.61 72744.13  3574.61 72744.13  3574.61  689.158   17.017  689.158   17.017 0.000000 0.000000 
1 1 1    0    2   25 o  871.324   16.492 116180.30  4382.58 116180.30  4382.58 116180.30  4382.58  871.324   16.492  871.324   16.492 0.000000 0.000000 
1 1 1    0    2   26 o  498.142   9.6489 37934.19  1465.83 37934.19  1465.83 37934.19  1465.83  498.142   9.6489  498.142   9.6489 -0.000000 0.000000 
1 1 1    0    2   27 o  173.594   5.4580  4613.44  288.546  4613.44  288.546  4613.44  288.546  173.594   5.4580  173.594   5.4580 0.000000 0.000000 
1 1 1    0    2   28 o  310.151   4.4878 14691.38  424.638 14691.38  424.638 14691.38  424.638  310.151   4.4878  310.151   4.4878 -0.000000 0.000000 
1 1 1    0    2   29 o  374.415   7.1441 21424.87  815.751 21424.87  815.751 21424.87  815.751  374.415   7.1441  374.415   7.1441 -0.000000 0.000000 
1 1 1    0    2   30 o  227.736   4.9967  7927.85  346.946  7927.85  346.946  7927.85  346.946  227.736   4.9967  227.736   4.9967 -0.000000 0.000000 
1 1 1    0    2   31 o  208.188   6.6833  6637.10  423.691  6637.10  423.691  6637.10  423.691  208.188   6.6833  208.188   6.6833 -0.000000 0.000000 
1 1 1    0    2   32 o  1048.38   28.131 169110.20  8987.05 169110.20  8987.05 169110.20  8987.05  1048.38   28.131  1048.38   28.131 0.000000 0.000000 
1 1 1    0    2   33 o  118.525   3.4474  2149.56  124.475  2149.56  124.475  2149.56  124.475  118.525   3.4474  118.525   3.4474 -0.000000 0.000000 
1 1 1    0    2   34 o  470.048   10.948 33808.53  1568.82 33808.53  1568.82 33808.53  1568.82  470.048   10.948  470.048   10.948 0.000000 0.000000 
1 1 1    0    2   35 o  551.607   14.132 46615.17  2375.70 46615.17  2375.70 46615.17  2375.70  551.607   14.132  551.607   14.132 -0.000000 0.000000 
1 1 1    0    2   36 o  206.128   3.8276  6492.00  240.624  6492.00  240.624  6492.00  240.624  206.128   3.8276  206.128   3.8276 -0.000000 0.000000 
1 1 1    0    2   37 o  107.202   4.1484  1762.10  135.276  1762.10  135.276  1762.10  135.276  107.202   4.1484  107.202   4.1484 0.000000 0.000000 
1 1 1    0    2   38 o  401.522   5.5897 24630.38  684.741 24630.38  684.741 24630.38  684.741  401.522   5.5897  401.522   5.5897 0.000000 0.000000 
1 1 1    0    2   39 f  109.611   3.2835  1838.86  109.628  1838.86  109.628  1838.86  109.628  109.611   3.2835  109.611   3.2835 -0.000000 0.000000 
1 1 1    0    2   40 o  107.225   2.8920  1758.73   94.492  1758.73   94.492  1758.73   94.492  107.225   2.8920  107.225   2.8920 0.000000 0.000000 
1 1 1    0    2   41 o  120.584   2.9292  2223.45  107.667  2223.45  107.667  2223.45  107.667  120.584   2.9292  120.584   2.9292 -0.000000 0.000000 
1 1 1    0    2   42 o  140.406   3.7216  3015.97  159.236  3015.97  159.236  3015.97  159.236  140.406   3.7216  140.406   3.7216 0.000000 0.000000 
1 1 1    0    2   43 o  294.938   8.6467 13337.22  776.878 13337.22  776.878 13337.22  776.878  294.938   8.6467  294.938   8.6467 -0.000000 0.000000 
1 1 1    0    2   44 o  178.660   5.2953  4888.16  288.187  4888.16  288.187  4888.16  288.187  178.660   5.2953  178.660   5.2953 0.000000 0.000000 
1 1 1    0    2   45 o  105.109   2.9450  1690.46   94.314  1690.46   94.314  1690.46   94.314  105.109   2.9450  105.109   2.9450 -0.000000 0.000000 
1 1 1    0    2   46 o  264.355   5.2695 10687.63  424.802 10687.63  424.802 10687.63  424.802  264.355   5.2695  264.355   5.2695 -0.000000 0.000000 
1 1 1    0    2   47 o   33.302   5.3431  181.947   50.119  181.947   50.119  181.947   50.119   33.302   5.3431   33.302   5.3431 0.000000 0.000000 
1 1 1    0    2   48 o  187.272   4.4211  5364.92  252.389  5364.92  252.389  5364.92  252.389  187.272   4.4211  187.272   4.4211 -0.000000 0.000000 
1 1 1    0    2   49 o  299.587   6.9945 13744.18  638.792 13744.18  638.792 13744.18  638.792  299.587   6.9945  299.587   6.9945 -0.000000 0.000000 
1 1 1    0    2   50 o   46.524   3.7159  336.772   51.992  336.772   51.992  336.772   51.992   46.524   3.7159   46.524   3.7159 -0.000000 0.000000 
1 1 1    0    2   51 f  154.411   3.1417  3644.54  147.931  3644.54  147.931  3644.54  147.931  154.411   3.1417  154.411   3.1417 -0.000000 0.000000 
1 1 1    0    2   52 o  114.856   3.0246  2018.14  105.866  2018.14  105.866  2018.14  105.866  114.856   3.0246  114.856   3.0246 0.000000 0.000000 
1 1 1    0    2   53 o  146.198   3.3028  3268.35  147.211  3268.35  147.211  3268.35  147.211  146.198   3.3028  146.198   3.3028 -0.000000 0.000000 
1 1 1    0    2   54 o   85.400   5.6906  1129.32  146.819  1129.32  146.819  1129.32  146.819   85.400   5.6906   85.400   5.6906 -0.000000 0.000000 
1 1 1    0    2   55 o  106.233   4.8315  1734.83  155.923  1734.83  155.923  1734.83  155.923  106.233   4.8315  106.233   4.8315 0.000000 0.000000 
1 1 1    0    2   56 f  110.823   3.2860  1880.30  110.931  1880.30  110.931  1880.30  110.931  110.823   3.2860  110.823   3.2860 0.000000 0.000000 
1 1 1    0    2   57 o  177.658   5.3828  4837.90  291.279  4837.90  291.279  4837.90  291.279  177.658   5.3828  177.658   5.3828 -0.000000 0.000000 
1 1 1    0    2   58 o  254.989   7.0185  9975.92  545.305  9975.92  545.305  9975.92  545.305  254.989   7.0185  254.989   7.0185 0.000000 0.000000 
1 1 1    0    2   59 o   88.451   14.223  1297.39  354.201  1297.39  354.201  1297.39  354.201   88.451   14.223   88.451   14.223 0.000000 0.000000 
1 1 1    0    2   60 o  106.877   3.0792  1748.91  100.259  1748.91  100.259  1748.91  100.259  106.877   3.0792  106.877   3.0792 -0.000000 0.000000 
1 1 1    0    2   61 o  204.236   3.3317  6377.41  207.567  6377.41  207.567  6377.41  207.567  204.236   3.3317  204.236   3.3317 -0.000000 0.000000 
1 1 1    0    2   62 o   42.097   7.6961  297.484   89.116  297.484   89.116  297.484   89.116   42.097   7.6961   42.097   7.6961 0.000000 0.000000 
1 1 1    0    2   63 o  174.938   3.9953  4687.03  213.077  4687.03  213.077  4687.03  213.077  174.938   3.9953  174.938   3.9953 0.000000 0.000000 
1 1 1    0    2   64 o   13.077   7.8050   27.912   55.047   27.912   55.047   27.912   55.047   13.077   7.8050   13.077   7.8050 0.000000 0.000000 
1 1 1    0    2   65 o   12.966   7.9461   21.567   60.313   21.567   60.313   21.567   60.313   12.966   7.9461   12.966   7.9461 -0.000000 0.000000 
1 1 1    0    3    2 o   14.957   8.5345   43.707   61.137   43.707   61.137   43.707   61.137   14.957   8.5345   14.957   8.5345 0.000000 0.000000 
1 1 1    0    3    3 o  709.455   29.591 77568.80  6382.26 77568.80  6382.26 77568.80  6382.26  709.455   29.591  709.455   29.591 -0.000000 0.000000 
1 1 1    0    3    4 o  347.236   21.763 18663.15  2285.79 18663.15  2285.79 18663.15  2285.79  347.236   21.763  347.236   21.763 -0.000000 0.000000 
1 1 1    0    3    5 o  600.841   36.110 56080.71  6567.49 56080.71  6567.49 56080.71  6567.49  600.841   36.110  600.841   36.110 0.000000 0.000000 
1 1 1    0    3    6 o  547.500   23.157 46129.70  3854.03 46129.70  3854.03 46129.70  3854.03  547.500   23.157  547.500   23.157 0.000000 0.000000 
1 1 1    0    3    7 o  183.106   4.3524  5125.98  242.940  5125.98  242.940  5125.98  242.940  183.106   4.3524  183.106   4.3524 -0.000000 0.000000 
1 1 1    0    3    8 o  423.678   10.595 27464.65  1368.22 27464.65  1368.22 27464.65  1368.22  423.678   10.595  423.678   10.595 -0.000000 0.000000 
1 1 1    0    3    9 o  839.249   15.555 107773.90  3981.48 107773.90  3981.48 107773.90  3981.48  839.249   15.555  839.249   15.555 0.000000 0.000000 
1 1 1    0    3   10 o  352.997   5.6741 19035.54  610.989 19035.54  610.989 19035.54  610.989  352.997   5.6741  352.997   5.6741 0.000000 0.000000 
1 1 1    0    3   11 f   99.212   2.5323  1505.18   76.570  1505.18   76.570  1505.18   76.570   99.212   2.5323   99.212   2.5323 0.000000 0.000000 
1 1 1    0    3   12 o  725.173   16.529 80580.91  3654.23 80580.91  3654.23 80580.91  3654.23  725.173   16.529  725.173   16.529 0.000000 0.000000 
1 1 1    0    3   13 o  546.036   9.8879 45594.02  1646.72 45594.02  1646.72 45594.02  1646.72  546.036   9.8879  546.036   9.8879 -0.000000 0.000000 
1 1 1    0    3   14 o  705.188   10.831 76054.53  2329.93 76054.53  2329.93 76054.53  2329.93  705.188   10.831  705.188   10.831 0.000000 0.000000 
1 1 1    0    3   15 o  211.578   4.4240  6842.43  285.416  6842.43  285.416  6842.43  285.416  211.578   4.4240  211.578   4.4240 -0.000000 0.000000 
1 1 1    0    3   16 o   84.330   3.9466  1092.66  101.077  1092.66  101.077  1092.66  101.077   84.330   3.9466   84.330   3.9466 0.000000 0.000000 
1 1 1    0    3   17 o  679.168   12.570 70616.34  2603.62 70616.34  2603.62 70616.34  2603.62  679.168   12.570  679.168   12.570 0.000000 0.000000 
1 1 1    0    3   18 o  121.578   4.6143  2266.08  170.668  2266.08  170.668  2266.08  170.668  121.578   4.6143  121.578   4.6143 0.000000 0.000000 
1 1 1    0    3   19 o  242.579   6.4615  9003.38  477.651  9003.38  477.651  9003.38  477.651  242.579   6.4615  242.579   6.4615 -0.000000 0.000000 
1 1 1    0    3   20 o  213.487   4.4981  6966.01  292.807  6966.01  292.807  6966.01  292.807  213.487   4.4981  213.487   4.4981 0.000000 0.000000 
1 1 1    0    3   21 o  194.888   5.6057  5812.13  332.828  5812.13  332.828  5812.13  332.828  194.888   5.6057  194.888   5.6057 0.000000 0.000000 
1 1 1    0    3   22 o  383.597   7.2906 22488.67  852.907 22488.67  852.907 22488.67  852.907  383.597   7.2906  383.597   7.2906 -0.000000 0.000000 
1 1 1    0    3   23 o   70.232   4.1091  760.546   87.394  760.546   87.394  760.546   87.394   70.232   4.1091   70.232   4.1091 -0.000000 0.000000 
1 1 1    0    3   24 o   30.619   15.974  208.024  195.179  208.024  195.179  208.024  195.179   30.619   15.974   30.619   15.974 -0.000000 0.000000 
1 1 1    0    3   25 o   81.282   3.9391  1015.45   97.202  1015.45   97.202  1015.45   97.202   81.282   3.9391   81.282   3.9391 -0.000000 0.000000 
1 1 1    0    3   26 o  904.806   13.894 125177.30  3835.15 125177.30  3835.15 125177.30  3835.15  904.806   13.894  904.806   13.894 0.000000 0.000000 
1 1 1    0    3   27 o  141.068   2.9237  3041.08  125.763  3041.08  125.763  3041.08  125.763  141.068   2.9237  141.068   2.9237 0.000000 0.000000 
1 1 1    0    3   28 o  823.322   10.957 103586.90  2752.29 103586.90  2752.29 103586.90  2752.29  823.322   10.957  823.322   10.957 -0.000000 0.000000 
1 1 1    0    3   29 o  241.022   6.4198  8886.82  471.521  8886.82  471.521  8886.82  471.521  241.022   6.4198  241.022   6.4198 -0.000000 0.000000 
1 1 1    0    3   30 o  262.787   6.7621 10563.24  541.563 10563.24  541.563 10563.24  541.563  262.787   6.7621  262.787   6.7621 -0.000000 0.000000 
1 1 1    0    3   31 o  838.633   20.858 107878.90  5331.51 107878.90  5331.51 107878.90  5331.51  838.633   20.858  838.633   20.858 -0.000000 0.000000 
1 1 1    0    3   32 o  1258.53   33.777 244374.70 12953.86 244374.70 12953.86 244374.70 12953.86  1258.53   33.777  1258.53   33.777 0.000000 0.000000 
1 1 1    0    3   33 o  530.549   14.513 43127.70  2346.23 43127.70  2346.23 43127.70  2346.23  530.549   14.513  530.549   14.513 0.000000 0.000000 
1 1 1    0    3   34 o  547.470   10.110 45829.56  1688.10 45829.56  1688.10 45829.56  1688.10  547.470   10.110  547.470   10.110 0.000000 0.000000 
1 1 1    0    3   35 o  856.868   29.066 113369.00  7582.07 113369.00  7582.07 113369.00  7582.07  856.868   29.066  856.868   29.066 -0.000000 0.000000 
1 1 1    0    3   36 o  110.564   3.6523  1871.96  122.948  1871.96  122.948  1871.96  122.948  110.564   3.6523  110.564   3.6523 -0.000000 0.000000 
1 1 1    0    3   37 o  112.983   4.5617  1958.17  156.727  1958.17  156.727  1958.17  156.727  112.983   4.5617  112.983   4.5617 -0.000000 0.000000 
1 1 1    0    3   38 o  514.586   7.0183 40466.61  1101.86 40466.61  1101.86 40466.61  1101.86  514.586   7.0183  514.586   7.0183 0.000000 0.000000 
1 1 1    0    3   39 o  262.806   5.1051 10557.69  409.155 10557.69  409.155 10557.69  409.155  262.806   5.1051  262.806   5.1051 -0.000000 0.000000 
1 1 1    0    3   40 o   25.758   5.0453  112.205   35.317  112.205   35.317  112.205   35.317   25.758   5.0453   25.758   5.0453 -0.000000 0.000000 
1 1 1    0    3   41 o  258.398   6.6251 10220.85  521.735 10220.85  521.735 10220.85  521.735  258.398   6.6251  258.398   6.6251 0.000000 0.000000 
1 1 1    0    3   42 o  144.096   3.7053  3176.22  162.722  3176.22  162.722  3176.22  162.722  144.096   3.7053  144.096   3.7053 -0.000000 0.000000 
1 1 1    0    3   43 o   46.326   5.2369  340.132   71.609  340.132   71.609  340.132   71.609   46.326   5.2369   46.326   5.2369 -0.000000 0.000000 
1 1 1    0    3   44 o   15.767   7.7952   55.888   45.073   55.888   45.073   55.888   45.073   15.767   7.7952   15.767   7.7952 -0.000000 0.000000 
1 1 1    0    3   45 o   51.058   16.453  507.118  226.415  507.118  226.415  507.118  226.415   51.058   16.453   51.058   16.453 0.000000 0.000000 
1 1 1    0    3   46 o  325.133   6.3161 16172.63  626.266 16172.63  626.266 16172.63  626.266  325.133   6.3161  325.133   6.3161 0.000000 0.000000 
1 1 1    0    3   47 o  507.427   9.0677 39445.76  1403.39 39445.76  1403.39 39445.76  1403.39  507.427   9.0677  507.427   9.0677 0.000000 0.000000 
1 1 1    0    3   48 o  116.438   4.7538  2081.09  168.307  2081.09  168.307  2081.09  168.307  116.438   4.7538  116.438   4.7538 -0.000000 0.000000 
1 1 1    0    3   49 o  127.054   3.7313  2471.18  144.416  2471.18  144.416  2471.18  144.416  127.054   3.7313  127.054   3.7313 -0.000000 0.000000 
1 1 1    0    3   50 o   73.653   2.9955  832.268   67.088  832.268   67.088  832.268   67.088   73.653   2.9955   73.653   2.9955 -0.000000 0.000000 
1 1 1    0    3   51 o  199.784   3.6649  6100.55  223.311  6100.55  223.311  6100.55  223.311  199.784   3.6649  199.784   3.6649 0.000000 0.000000 
1 1 1    0    3   52 o  130.445   4.6250  2608.80  183.617  2608.80  183.617  2608.80  183.617  130.445   4.6250  130.445   4.6250 0.000000 0.000000 
1 1 1    0    3   53 o  197.138   3.7666  5941.02  226.452  5941.02  226.452  5941.02  226.452  197.138   3.7666  197.138   3.7666 -0.000000 0.000000 
1 1 1    0    3   54 o  299.934   5.8186 13765.13  532.225 13765.13  532.225 13765.13  532.225  299.934   5.8186  299.934   5.8186 0.000000 0.000000 
1 1 1    0    3   55 f  230.096   7.1601  8123.16  501.755  8123.16  501.755  8123.16  501.755  230.096   7.1601  230.096   7.1601 -0.000000 0.000000 
1 1 1    0    3   56 o   78.397   4.2108  946.910  100.093  946.910  100.093  946.910  100.093   78.397   4.2108   78.397   4.2108 0.000000 0.000000 
1 1 1    0    3   57 o   66.618   3.8346  684.549   77.379  684.549   77.379  684.549   77.379   66.618   3.8346   66.618   3.8346 -0.000000 0.000000 
1 1 1    0    3   58 o   60.818   4.4885  574.368   82.277  574.368   82.277  574.368   82.277   60.818   4.4885   60.818   4.4885 0.000000 0.000000 
1 1 1    0    3   59 o  169.601   14.928  4559.16  758.991  4559.16  758.991  4559.16  758.991  169.601   14.928  169.601   14.928 -0.000000 0.000000 
1 1 1    0    3   60 o   86.738   3.5296  1155.04   93.093  1155.04   93.093  1155.04   93.093   86.738   3.5296   86.738   3.5296 -0.000000 0.000000 
1 1 1    0    3   61 f  107.145   2.7018  1756.55   88.229  1756.55   88.229  1756.55   88.229  107.145   2.7018  107.145   2.7018 -0.000000 0.000000 
1 1 1    0    3   62 o  170.801   3.3999  4463.10  177.085  4463.10  177.085  4463.10  177.085  170.801   3.3999  170.801   3.3999 -0.000000 0.000000 
1 1 1    0    3   63 f   46.260   6.5071  347.001   86.654  347.001   86.654  347.001   86.654   46.260   6.5071   46.260   6.5071 0.000000 0.000000 
1 1 1    0    3   64 o   61.233   7.0958  598.782  127.979  598.782  127.979  598.782  127.979   61.233   7.0958   61.233   7.0958 -0.000000 0.000000 
1 1 1    0    4    3 o  275.761   17.966 11773.22  1497.46 11773.22  1497.46 11773.22  1497.46  275.761   17.966  275.761   17.966 -0.000000 0.000000 
1 1 1    0    4    4 o  414.720   25.504 26642.61  3200.34 26642.61  3200.34 26642.61  3200.34  414.720   25.504  414.720   25.504 -0.000000 0.000000 
1 1 1    0    4    5 o  119.902   10.817  2248.62  388.469  2248.62  388.469  2248.62  388.469  119.902   10.817  119.902   10.817 0.000000 0.000000 
1 1 1    0    4    6 f  163.848   12.614  4173.36  622.238  4173.36  622.238  4173.36  622.238  163.848   12.614  163.848   12.614 -0.000000 0.000000 
1 1 1    0    4    7 o  548.492   13.693 46053.93  2289.18 46053.93  2289.18 46053.93  2289.18  548.492   13.693  548.492   13.693 -0.000000 0.000000 
1 1 1    0    4    8 o   27.536   3.2040  120.349   25.977  120.349   25.977  120.349   25.977   27.536   3.2040   27.536   3.2040 -0.000000 0.000000 
1 1 1    0    4    9 o   50.255   2.6311  388.608   40.106  388.608   40.106  388.608   40.106   50.255   2.6311   50.255   2.6311 0.000000 0.000000 
1 1 1    0    4   10 o  136.550   3.4145  2851.19  142.111  2851.19  142.111  2851.19  142.111  136.550   3.4145  136.550   3.4145 -0.000000 0.000000 
1 1 1    0    4   11 o  190.957   3.5525  5571.36  206.894  5571.36  206.894  5571.36  206.894  190.957   3.5525  190.957   3.5525 -0.000000 0.000000 
1 1 1    0    4   12 o  326.286   5.2146 16264.62  519.018 16264.62  519.018 16264.62  519.018  326.286   5.2146  326.286   5.2146 -0.000000 0.000000 
1 1 1    0    4   13 o  122.396   2.8474  2290.17  106.245  2290.17  106.245  2290.17  106.245  122.396   2.8474  122.396   2.8474 0.000000 0.000000 
1 1 1    0    4   14 o  444.458   8.3822 30207.78  1136.20 30207.78  1136.20 30207.78  1136.20  444.458   8.3822  444.458   8.3822 -0.000000 0.000000 
1 1 1    0    4   15 o  1167.66   21.021 209549.80  7486.39 209549.80  7486.39 209549.80  7486.39  1167.66   21.021  1167.66   21.021 -0.000000 0.000000 
1 1 1    0    4   16 o  169.489   2.8451  4388.17  147.090  4388.17  147.090  4388.17  147.090  169.489   2.8451  169.489   2.8451 0.000000 0.000000 
1 1 1    0    4   17 o   20.621   4.4905   73.413   24.764   73.413   24.764   73.413   24.764   20.621   4.4905   20.621   4.4905 -0.000000 0.000000 
1 1 1    0    4   18 o  1043.24   18.844 166889.50  5996.02 166889.50  5996.02 166889.50  5996.02  1043.24   18.844  1043.24   18.844 0.000000 0.000000 
1 1 1    0    4   19 o  527.316   10.235 42524.30  1645.99 42524.30  1645.99 42524.30  1645.99  527.316   10.235  527.316   10.235 -0.000000 0.000000 
1 1 1    0    4   20 o  396.686   8.0725 24056.95  976.487 24056.95  976.487 24056.95  976.487  396.686   8.0725  396.686   8.0725 -0.000000 0.000000 
1 1 1    0    4   21 o  598.819   11.500 54835.15  2100.22 54835.15  2100.22 54835.15  2100.22  598.819   11.500  598.819   11.500 -0.000000 0.000000 
1 1 1    0    4   22 f  971.850   40.495 146417.59 11964.75 146417.59 11964.75 146417.59 11964.75  971.850   40.495  971.850   40.495 0.000000 0.000000 
1 1 1    0    4   23 o   67.106   3.9276  694.350   79.815  694.350   79.815  694.350   79.815   67.106   3.9276   67.106   3.9276 -0.000000 0.000000 
1 1 1    0    4   24 o   61.403   4.1512  583.311   76.984  583.311   76.984  583.311   76.984   61.403   4.1512   61.403   4.1512 -0.000000 0.000000 
1 1 1    0    4   25 o  361.107   5.6834 19918.96  626.061 19918.96  626.061 19918.96  626.061  361.107   5.6834  361.107   5.6834 -0.000000 0.000000 
1 1 1    0    4   26 o   25.189   3.7071  102.930   26.690  102.930   26.690  102.930   26.690   25.189   3.7071   25.189   3.7071 0.000000 0.000000 
1 1 1    0    4   27 o   37.364   2.8125  216.670   31.658  216.670   31.658  216.670   31.658   37.364   2.8125   37.364   2.8125 -0.000000 0.000000 
1 1 1    0    4   28 o  345.075   6.6016 18197.84  694.738 18197.84  694.738 18197.84  694.738  345.075   6.6016  345.075   6.6016 -0.000000 0.000000 
1 1 1    0    4   29 o  236.529   6.3232  8558.68  455.757  8558.68  455.757  8558.68  455.757  236.529   6.3232  236.529   6.3232 -0.000000 0.000000 
1 1 1    0    4   30 o  598.141   9.0546 54670.34  1652.20 54670.34  1652.20 54670.34  1652.20  598.141   9.0546  598.141   9.0546 -0.000000 0.000000 
1 1 1    0    4   31 o  284.378   5.6514 12359.40  490.098 12359.40  490.098 12359.40  490.098  284.378   5.6514  284.378   5.6514 0.000000 0.000000 
1 1 1    0    4   32 o  139.178   14.140  3051.18  586.450  3051.18  586.450  3051.18  586.450  139.178   14.140  139.178   14.140 -0.000000 0.000000 
1 1 1    0    4   33 o   38.618   8.7212  259.597   89.672  259.597   89.672  259.597   89.672   38.618   8.7212   38.618   8.7212 -0.000000 0.000000 
1 1 1    0    4   34 o  675.075   16.580 69851.16  3411.73 69851.16  3411.73 69851.16  3411.73  675.075   16.580  675.075   16.580 0.000000 0.000000 
1 1 1    0    4   35 o  123.761   5.2334  2350.69  196.886  2350.69  196.886  2350.69  196.886  123.761   5.2334  123.761   5.2334 -0.000000 0.000000 
1 1 1    0    4   36 o  451.248   8.4652 31135.42  1164.99 31135.42  1164.99 31135.42  1164.99  451.248   8.4652  451.248   8.4652 0.000000 0.000000 
1 1 1    0    4   37 f  400.574   9.1755 24556.58  1120.50 24556.58  1120.50 24556.58  1120.50  400.574   9.1755  400.574   9.1755 -0.000000 0.000000 
1 1 1    0    4   38 f  160.161   3.7375  3922.06  182.482  3922.06  182.482  3922.06  182.482  160.161   3.7375  160.161   3.7375 0.000000 0.000000 
1 1 1    0    4   39 o  354.899   6.5487 19258.44  708.837 19258.44  708.837 19258.44  708.837  354.899   6.5487  354.899   6.5487 0.000000 0.000000 
1 1 1    0    4   40 o  216.958   4.6997  7197.35  310.888  7197.35  310.888  7197.35  310.888  216.958   4.6997  216.958   4.6997 -0.000000 0.000000 
1 1 1    0    4   41 o  173.009   4.0195  4577.25  211.994  4577.25  211.994  4577.25  211.994  173.009   4.0195  173.009   4.0195 0.000000 0.000000 
1 1 1    0    4   42 o  226.143   9.2740  7861.96  637.681  7861.96  637.681  7861.96  637.681  226.143   9.2740  226.143   9.2740 0.000000 0.000000 
1 1 1    0    4   43 o  285.242   7.6678 12464.83  666.485 12464.83  666.485 12464.83  666.485  285.242   7.6678  285.242   7.6678 0.000000 0.000000 
1 1 1    0    4   44 o  165.218   9.5691  4219.12  478.847  4219.12  478.847  4219.12  478.847  165.218   9.5691  165.218   9.5691 -0.000000 0.000000 
1 1 1    0    4   45 o  772.245   19.482 92304.48  4585.36 92304.48  4585.36 92304.48  4585.36  772.245   19.482  772.245   19.482 0.000000 0.000000 
1 1 1    0    4   46 o   40.410   5.6702  263.770   65.987  263.770   65.987  263.770   65.987   40.410   5.6702   40.410   5.6702 -0.000000 0.000000 
1 1 1    0    4   47 o   98.044   2.8387  1471.10   84.788  1471.10   84.788  1471.10   84.788   98.044   2.8387   98.044   2.8387 0.000000 0.000000 
1 1 1    0    4   48 o  287.261   5.7492 12623.58  503.627 12623.58  503.627 12623.58  503.627  287.261   5.7492  287.261   5.7492 0.000000 0.000000 
1 1 1    0    4   49 o  130.867   3.0286  2618.72  120.826  2618.72  120.826  2618.72  120.826  130.867   3.0286  130.867   3.0286 -0.000000 0.000000 
1 1 1    0    4   50 o  250.335   4.1692  9577.97  318.359  9577.97  318.359  9577.97  318.359  250.335   4.1692  250.335   4.1692 0.000000 0.000000 
1 1 1    0    4   51 o   40.664   4.4641  261.531   53.705  261.531   53.705  261.531   53.705   40.664   4.4641   40.664   4.4641 -0.000000 0.000000 
1 1 1    0    4   52 o  598.121   10.748 54901.79  1960.73 54901.79  1960.73 54901.79  1960.73  598.121   10.748  598.121   10.748 0.000000 0.000000 
1 1 1    0    4   53 o  117.818   3.8737  2126.62  138.961  2126.62  138.961  2126.62  138.961  117.818   3.8737  117.818   3.8737 0.000000 0.000000 
1 1 1    0    4   54 o  162.021   3.2648  4012.97  161.307  4012.97  161.307  4012.97  161.307  162.021   3.2648  162.021   3.2648 0.000000 0.000000 
1 1 1    0    4   55 o  278.449   8.2687 11903.38  701.344 11903.38  701.344 11903.38  701.344  278.449   8.2687  278.449   8.2687 0.000000 0.000000 
1 1 1    0    4   56 o  431.879   11.168 28711.86  1469.96 28711.86  1469.96 28711.86  1469.96  431.879   11.168  431.879   11.168 -0.000000 0.000000 
1 1 1    0    4   57 o   91.629   3.5798  1288.14   99.770  1288.14   99.770  1288.14   99.770   91.629   3.5798   91.629   3.5798 -0.000000 0.000000 
1 1 1    0    4   58 o   74.181   2.8711  844.019   64.786  844.019   64.786  844.019   64.786   74.181   2.8711   74.181   2.8711 -0.000000 0.000000 
1 1 1    0    4   59 o   25.550   15.352  104.242  215.880  104.242  215.880  104.242  215.880   25.550   15.352   25.550   15.352 -0.000000 0.000000 
1 1 1    0    4   60 o  186.073   5.4634  5310.90  309.682  5310.90  309.682  5310.90  309.682  186.073   5.4634  186.073   5.4634 -0.000000 0.000000 
1 1 1    0    4   61 o  136.362   3.2228  2845.39  133.967  2845.39  133.967  2845.39  133.967  136.362   3.2228  136.362   3.2228 0.000000 0.000000 
1 1 1    0    4   62 o  103.135   3.0212  1629.16   94.920  1629.16   94.920  1629.16   94.920  103.135   3.0212  103.135   3.0212 0.000000 0.000000 
1 1 1    0    4   63 o   32.641   7.6789  188.119   66.460  188.119   66.460  188.119   66.460   32.641   7.6789   32.641   7.6789 0.000000 0.000000 
1 1 1    0    4   64 o   24.711   6.8658  112.780   44.795  112.780   44.795  112.780   44.795   24.711   6.8658   24.711   6.8658 -0.000000 0.000000 
1 1 1    0    5    3 o  319.447   20.285 15801.34  1959.57 15801.34  1959.57 15801.34  1959.57  319.447   20.285  319.447   20.285 0.000000 0.000000 
1 1 1    0    5    4 o  105.009   7.2723  1707.51  230.518  1707.51  230.518  1707.51  230.518  105.009   7.2723  105.009   7.2723 0.000000 0.000000 
1 1 1    0    5    5 o  410.975   17.689 25973.64  2209.49 25973.64  2209.49 25973.64  2209.49  410.975   17.689  410.975   17.689 0.000000 0.000000 
1 1 1    0    5    6 o  335.603   9.0229 17235.71  922.743 17235.71  922.743 17235.71  922.743  335.603   9.0229  335.603   9.0229 -0.000000 0.000000 
1 1 1    0    5    7 o  467.883   19.939 33689.84  2835.71 33689.84  2835.71 33689.84  2835.71  467.883   19.939  467.883   19.939 0.000000 0.000000 
1 1 1    0    5    8 o   37.327   11.288  263.672  112.191  263.672  112.191  263.672  112.191   37.327   11.288   37.327   11.288 0.000000 0.000000 
1 1 1    0    5    9 o  109.103   4.2277  1825.06  140.307  1825.06  140.307  1825.06  140.307  109.103   4.2277  109.103   4.2277 -0.000000 0.000000 
1 1 1    0    5   10 o  602.556   9.4036 55500.19  1728.51 55500.19  1728.51 55500.19  1728.51  602.556   9.4036  602.556   9.4036 -0.000000 0.000000 
1 1 1    0    5   11 o  923.547   15.727 130650.90  4430.22 130650.90  4430.22 130650.90  4430.22  923.547   15.727  923.547   15.727 -0.000000 0.000000 
1 1 1    0    5   12 o  784.880   18.592 94587.31  4448.40 94587.31  4448.40 94587.31  4448.40  784.880   18.592  784.880   18.592 -0.000000 0.000000 
1 1 1    0    5   13 o  765.440   13.528 89720.64  3158.27 89720.64  3158.27 89720.64  3158.27  765.440   13.528  765.440   13.528 -0.000000 0.000000 
1 1 1    0    5   14 o  356.181   8.9262 19418.89  969.030 19418.89  969.030 19418.89  969.030  356.181   8.9262  356.181   8.9262 0.000000 0.000000 
1 1 1    0    5   15 o  185.559   3.9413  5262.92  222.993  5262.92  222.993  5262.92  222.993  185.559   3.9413  185.559   3.9413 0.000000 0.000000 
1 1 1    0    5   16 o  266.753   5.6699 10878.37  461.167 10878.37  461.167 10878.37  461.167  266.753   5.6699  266.753   5.6699 0.000000 0.000000 
1 1 1    0    5   17 o  418.753   12.047 26869.11  1536.87 26869.11  1536.87 26869.11  1536.87  418.753   12.047  418.753   12.047 0.000000 0.000000 
1 1 1    0    5   18 o  646.394   39.035 65350.30  7637.06 65350.30  7637.06 65350.30  7637.06  646.394   39.035  646.394   39.035 -0.000000 0.000000 
1 1 1    0    5   19 o  664.610   27.727 68169.66  5602.30 68169.66  5602.30 68169.66  5602.30  664.610   27.727  664.610   27.727 0.000000 0.000000 
1 1 1    0    5   20 o   67.172   2.9561  692.637   60.340  692.637   60.340  692.637   60.340   67.172   2.9561   67.172   2.9561 -0.000000 0.000000 
1 1 1    0    5   21 f  851.691   51.095 113771.20 13172.95 113771.20 13172.95 113771.20 13172.95  851.691   51.095  851.691   51.095 0.000000 0.000000 
1 1 1    0    5   22 o  126.128   4.8402  2438.84  185.712  2438.84  185.712  2438.84  185.712  126.128   4.8402  126.128   4.8402 -0.000000 0.000000 
1 1 1    0    5   23 o  463.850   8.9792 32888.54  1270.18 32888.54  1270.18 32888.54  1270.18  463.850   8.9792  463.850   8.9792 0.000000 0.000000 
1 1 1    0    5   24 o  431.868   8.0104 28504.10  1055.08 28504.10  1055.08 28504.10  1055.08  431.868   8.0104  431.868   8.0104 -0.000000 0.000000 
1 1 1    0    5   25 o  107.610   2.6270  1770.45   86.166  1770.45   86.166  1770.45   86.166  107.610   2.6270  107.610   2.6270 0.000000 0.000000 
1 1 1    0    5   26 o  766.019   13.949 89751.89  3258.88 89751.89  3258.88 89751.89  3258.88  766.019   13.949  766.019   13.949 -0.000000 0.000000 
1 1 1    0    5   27 o  606.355   20.752 56468.38  3830.50 56468.38  3830.50 56468.38  3830.50  606.355   20.752  606.355   20.752 0.000000 0.000000 
1 1 1    0    5   28 o  671.653   12.613 68994.64  2583.73 68994.64  2583.73 68994.64  2583.73  671.653   12.613  671.653   12.613 -0.000000 0.000000 
1 1 1    0    5   29 o  810.224   14.755 100440.30  3646.17 100440.30  3646.17 100440.30  3646.17  810.224   14.755  810.224   14.755 0.000000 0.000000 
1 1 1    0    5   30 o  646.038   11.507 63818.14  2267.45 63818.14  2267.45 63818.14  2267.45  646.038   11.507  646.038   11.507 0.000000 0.000000 
1 1 1    0    5   31 o  586.815   11.273 52661.80  2017.46 52661.80  2017.46 52661.80  2017.46  586.815   11.273  586.815   11.273 0.000000 0.000000 
1 1 1    0    5   32 o  1116.51   28.012 191821.80  9532.62 191821.80  9532.62 191821.80  9532.62  1116.51   28.012  1116.51   28.012 0.000000 0.000000 
1 1 1    0    5   33 o  344.870   4.8729 18165.55  512.701 18165.55  512.701 18165.55  512.701  344.870   4.8729  344.870   4.8729 0.000000 0.000000 
1 1 1    0    5   34 o  183.490   3.5455  5144.61  198.399  5144.61  198.399  5144.61  198.399  183.490   3.5455  183.490   3.5455 -0.000000 0.000000 
1 1 1    0    5   35 o  135.337   5.3375  2809.16  219.704  2809.16  219.704  2809.16  219.704  135.337   5.3375  135.337   5.3375 0.000000 0.000000 
1 1 1    0    5   36 o  162.440   14.192  4128.84  691.307  4128.84  691.307  4128.84  691.307  162.440   14.192  162.440   14.192 0.000000 0.000000 
1 1 1    0    5   37 o  582.568   10.853 51945.09  1928.24 51945.09  1928.24 51945.09  1928.24  582.568   10.853  582.568   10.853 -0.000000 0.000000 
1 1 1    0    5   38 o  451.308   6.8660 31132.87  945.290 31132.87  945.290 31132.87  945.290  451.308   6.8660  451.308   6.8660 0.000000 0.000000 
1 1 1    0    5   39 o  923.327   12.345 130606.70  3477.78 130606.70  3477.78 130606.70  3477.78  923.327   12.345  923.327   12.345 -0.000000 0.000000 
1 1 1    0    5   40 o  614.719   11.175 57899.98  2095.24 57899.98  2095.24 57899.98  2095.24  614.719   11.175  614.719   11.175 0.000000 0.000000 
1 1 1    0    5   41 o   72.000   3.7159  797.734   81.165  797.734   81.165  797.734   81.165   72.000   3.7159   72.000   3.7159 0.000000 0.000000 
1 1 1    0    5   42 o  489.505   7.4863 36650.65  1117.93 36650.65  1117.93 36650.65  1117.93  489.505   7.4863  489.505   7.4863 0.000000 0.000000 
1 1 1    0    5   43 o  105.403   3.3091  1701.05  106.220  1701.05  106.220  1701.05  106.220  105.403   3.3091  105.403   3.3091 0.000000 0.000000 
1 1 1    0    5   44 o  234.909   6.6445  8453.27  475.542  8453.27  475.542  8453.27  475.542  234.909   6.6445  234.909   6.6445 0.000000 0.000000 
1 1 1    0    5   45 o  120.831   4.8122  2240.45  176.838  2240.45  176.838  2240.45  176.838  120.831   4.8122  120.831   4.8122 -0.000000 0.000000 
1 1 1    0    5   46 o  351.601   5.5535 18900.63  595.654 18900.63  595.654 18900.63  595.654  351.601   5.5535  351.601   5.5535 -0.000000 0.000000 
1 1 1    0    5   47 f  271.555   5.2315 11277.46  433.250 11277.46  433.250 11277.46  433.250  271.555   5.2315  271.555   5.2315 0.000000 0.000000 
1 1 1    0    5   48 o  207.402   3.7747  6574.62  238.776  6574.62  238.776  6574.62  238.776  207.402   3.7747  207.402   3.7747 -0.000000 0.000000 
1 1 1    0    5   49 o  250.847   5.0656  9623.79  387.485  9623.79  387.485  9623.79  387.485  250.847   5.0656  250.847   5.0656 -0.000000 0.000000 
1 1 1    0    5   50 o  350.040   6.7185 18751.53  717.207 18751.53  717.207 18751.53  717.207  350.040   6.7185  350.040   6.7185 -0.000000 0.000000 
1 1 1    0    5   51 o  270.482   7.4820 11214.95  616.625 11214.95  616.625 11214.95  616.625  270.482   7.4820  270.482   7.4820 0.000000 0.000000 
1 1 1    0    5   52 o   11.797   7.4997   5.8816   59.049   5.8816   59.049   5.8816   59.049   11.797   7.4997   11.797   7.4997 -0.000000 0.000000 
1 1 1    0    5   53 o  319.865   5.9092 15653.80  576.468 15653.80  576.468 15653.80  576.468  319.865   5.9092  319.865   5.9092 0.000000 0.000000 
1 1 1    0    5   54 o  115.837   3.1916  2053.40  112.648  2053.40  112.648  2053.40  112.648  115.837   3.1916  115.837   3.1916 -0.000000 0.000000 
1 1 1    0    5   55 o  191.051   4.5967  5585.97  267.696  5585.97  267.696  5585.97  267.696  191.051   4.5967  191.051   4.5967 0.000000 0.000000 
1 1 1    0    5   56 f   51.573   4.9489  417.543   76.254  417.543   76.254  417.543   76.254   51.573   4.9489   51.573   4.9489 -0.000000 0.000000 
1 1 1    0    5   57 o  213.777   3.8440  6987.46  250.638  6987.46  250.638  6987.46  250.638  213.777   3.8440  213.777   3.8440 0.000000 0.000000 
1 1 1    0    5   58 o  157.738   2.9649  3803.47  142.633  3803.47  142.633  3803.47  142.633  157.738   2.9649  157.738   2.9649 0.000000 0.000000 
1 1 1    0    5   59 o  116.783   3.0499  2087.10  108.544  2087.10  108.544  2087.10  108.544  116.783   3.0499  116.783   3.0499 -0.000000 0.000000 
1 1 1    0    5   60 o  175.473   5.5856  4726.23  298.471  4726.23  298.471  4726.23  298.471  175.473   5.5856  175.473   5.5856 -0.000000 0.000000 
1 1 1    0    5   61 o   76.038   5.1365  896.744  117.963  896.744  117.963  896.744  117.963   76.038   5.1365   76.038   5.1365 -0.000000 0.000000 
1 1 1    0    5   62 o   63.268   5.6210  627.447  106.577  627.447  106.577  627.447  106.577   63.268   5.6210   63.268   5.6210 -0.000000 0.000000 
1 1 1    0    5   63 o  167.602   4.1906  4305.15  214.074  4305.15  214.074  4305.15  214.074  167.602   4.1906  167.602   4.1906 0.000000 0.000000 
1 1 1    0    5   64 o   27.999   6.1864  136.281   46.238  136.281   46.238  136.281   46.238   27.999   6.1864   27.999   6.1864 0.000000 0.000000 
1 1 1    0    6    4 o  183.989   9.0101  5206.59  503.221  5206.59  503.221  5206.59  503.221  183.989   9.0101  183.989   9.0101 0.000000 0.000000 
1 1 1    0    6    5 o  136.860   7.9428  2888.79  329.236  2888.79  329.236  2888.79  329.236  136.860   7.9428  136.860   7.9428 -0.000000 0.000000 
1 1 1    0    6    6 o  340.049   14.977 17784.40  1547.63 17784.40  1547.63 17784.40  1547.63  340.049   14.977  340.049   14.977 0.000000 0.000000 
1 1 1    0    6    7 o  540.177   13.528 44693.96  2227.21 44693.96  2227.21 44693.96  2227.21  540.177   13.528  540.177   13.528 -0.000000 0.000000 
1 1 1    0    6    8 o   64.473   13.396  711.549  232.505  711.549  232.505  711.549  232.505   64.473   13.396   64.473   13.396 0.000000 0.000000 
1 1 1    0    6    9 o  781.763   32.757 94913.65  7784.98 94913.65  7784.98 94913.65  7784.98  781.763   32.757  781.763   32.757 0.000000 0.000000 
1 1 1    0    6   10 o  554.573   15.124 47176.41  2555.69 47176.41  2555.69 47176.41  2555.69  554.573   15.124  554.573   15.124 -0.000000 0.000000 
1 1 1    0    6   11 o  665.997   28.038 68761.09  5676.53 68761.09  5676.53 68761.09  5676.53  665.997   28.038  665.997   28.038 0.000000 0.000000 
1 1 1    0    6   12 o  308.369   8.3525 14557.92  784.842 14557.92  784.842 14557.92  784.842  308.369   8.3525  308.369   8.3525 -0.000000 0.000000 
1 1 1    0    6   13 f  111.839   3.2316  1913.92  110.104  1913.92  110.104  1913.92  110.104  111.839   3.2316  111.839   3.2316 -0.000000 0.000000 
1 1 1    0    6   14 o  444.737   10.349 30276.14  1403.10 30276.14  1403.10 30276.14  1403.10  444.737   10.349  444.737   10.349 -0.000000 0.000000 
1 1 1    0    6   15 o  431.043   8.5141 28412.15  1119.17 28412.15  1119.17 28412.15  1119.17  431.043   8.5141  431.043   8.5141 -0.000000 0.000000 
1 1 1    0    6   16 o  611.383   11.675 57187.71  2176.89 57187.71  2176.89 57187.71  2176.89  611.383   11.675  611.383   11.675 -0.000000 0.000000 
1 1 1    0    6   17 o  850.382   36.070 112230.70  9323.75 112230.70  9323.75 112230.70  9323.75  850.382   36.070  850.382   36.070 0.000000 0.000000 
1 1 1    0    6   18 o  994.878   24.209 152010.41  7341.54 152010.41  7341.54 152010.41  7341.54  994.878   24.209  994.878   24.209 -0.000000 0.000000 
1 1 1    0    6   19 o  701.498   28.303 75885.66  6037.54 75885.66  6037.54 75885.66  6037.54  701.498   28.303  701.498   28.303 -0.000000 0.000000 
1 1 1    0    6   20 o  430.247   8.3955 28295.59  1101.56 28295.59  1101.56 28295.59  1101.56  430.247   8.3955  430.247   8.3955 0.000000 0.000000 
1 1 1    0    6   21 o  512.176   9.8718 40102.77  1541.94 40102.77  1541.94 40102.77  1541.94  512.176   9.8718  512.176   9.8718 0.000000 0.000000 
1 1 1    0    6   22 o  360.605   9.9135 19901.83  1089.26 19901.83  1089.26 19901.83  1089.26  360.605   9.9135  360.605   9.9135 -0.000000 0.000000 
1 1 1    0    6   23 o   98.705   4.1334  1494.82  124.032  1494.82  124.032  1494.82  124.032   98.705   4.1334   98.705   4.1334 0.000000 0.000000 
1 1 1    0    6   24 o  440.591   9.8784 29687.62  1326.93 29687.62  1326.93 29687.62  1326.93  440.591   9.8784  440.591   9.8784 0.000000 0.000000 
1 1 1    0    6   25 o  385.526   9.4632 22736.71  1112.03 22736.71  1112.03 22736.71  1112.03  385.526   9.4632  385.526   9.4632 0.000000 0.000000 
1 1 1    0    6   26 o   37.977   6.9958  241.294   72.981  241.294   72.981  241.294   72.981   37.977   6.9958   37.977   6.9958 -0.000000 0.000000 
1 1 1    0    6   27 o  502.885   12.510 38707.51  1917.53 38707.51  1917.53 38707.51  1917.53  502.885   12.510  502.885   12.510 0.000000 0.000000 
1 1 1    0    6   28 o   64.984   3.3429  649.614   65.905  649.614   65.905  649.614   65.905   64.984   3.3429   64.984   3.3429 0.000000 0.000000 
1 1 1    0    6   29 o  162.092   2.8128  4013.53  139.067  4013.53  139.067  4013.53  139.067  162.092   2.8128  162.092   2.8128 0.000000 0.000000 
1 1 1    0    6   30 o  156.436   9.4811  3778.26  448.895  3778.26  448.895  3778.26  448.895  156.436   9.4811  156.436   9.4811 0.000000 0.000000 
1 1 1    0    6   31 o  371.361   7.2717 21079.60  823.523 21079.60  823.523 21079.60  823.523  371.361   7.2717  371.361   7.2717 -0.000000 0.000000 
1 1 1    0    6   32 o   60.320   3.5838  561.199   65.448  561.199   65.448  561.199   65.448   60.320   3.5838   60.320   3.5838 0.000000 0.000000 
1 1 1    0    6   33 o  226.044   4.7237  7809.69  325.588  7809.69  325.588  7809.69  325.588  226.044   4.7237  226.044   4.7237 -0.000000 0.000000 
1 1 1    0    6   34 o   49.184   5.6719  383.805   82.204  383.805   82.204  383.805   82.204   49.184   5.6719   49.184   5.6719 0.000000 0.000000 
1 1 1    0    6   35 o  697.577   13.293 74505.81  2827.97 74505.81  2827.97 74505.81  2827.97  697.577   13.293  697.577   13.293 0.000000 0.000000 
1 1 1    0    6   36 o  240.913   16.907  9024.29  1229.16  9024.29  1229.16  9024.29  1229.16  240.913   16.907  240.913   16.907 -0.000000 0.000000 
1 1 1    0    6   37 o  613.551   15.387 57796.62  2877.52 57796.62  2877.52 57796.62  2877.52  613.551   15.387  613.551   15.387 -0.000000 0.000000 
1 1 1    0    6   38 o  107.500   3.3338  1769.11  109.148  1769.11  109.148  1769.11  109.148  107.500   3.3338  107.500   3.3338 0.000000 0.000000 
1 1 1    0    6   39 o   13.592   7.8416   34.902   52.466   34.902   52.466   34.902   52.466   13.592   7.8416   13.592   7.8416 -0.000000 0.000000 
1 1 1    0    6   40 o  268.360   7.2243 11028.95  590.772 11028.95  590.772 11028.95  590.772  268.360   7.2243  268.360   7.2243 0.000000 0.000000 
1 1 1    0    6   41 o  666.639   11.659 68132.08  2370.66 68132.08  2370.66 68132.08  2370.66  666.639   11.659  666.639   11.659 -0.000000 0.000000 
1 1 1    0    6   42 o  401.924   6.2396 24698.61  765.038 24698.61  765.038 24698.61  765.038  401.924   6.2396  401.924   6.2396 -0.000000 0.000000 
1 1 1    0    6   43 f  157.505   4.6661  3798.44  223.875  3798.44  223.875  3798.44  223.875  157.505   4.6661  157.505   4.6661 0.000000 0.000000 
1 1 1    0    6   44 f  191.487   5.8364  5617.54  340.397  5617.54  340.397  5617.54  340.397  191.487   5.8364  191.487   5.8364 0.000000 0.000000 
1 1 1    0    6   45 f   29.613   7.4407  156.844   58.169  156.844   58.169  156.844   58.169   29.613   7.4407   29.613   7.4407 -0.000000 0.000000 
1 1 1    0    6   46 o   50.238   3.3826  390.529   51.328  390.529   51.328  390.529   51.328   50.238   3.3826   50.238   3.3826 -0.000000 0.000000 
1 1 1    0    6   47 o   52.263   3.7886  423.595   59.705  423.595   59.705  423.595   59.705   52.263   3.7886   52.263   3.7886 0.000000 0.000000 
1 1 1    0    6   48 o  105.453   2.8870  1701.42   92.765  1701.42   92.765  1701.42   92.765  105.453   2.8870  105.453   2.8870 -0.000000 0.000000 
1 1 1    0    6   49 o  163.667   5.0076  4103.28  249.623  4103.28  249.623  4103.28  249.623  163.667   5.0076  163.667   5.0076 -0.000000 0.000000 
1 1 1    0    6   50 o   77.895   6.5604  947.023  153.431  947.023  153.431  947.023  153.431   77.895   6.5604   77.895   6.5604 -0.000000 0.000000 
1 1 1    0    6   51 o  111.963   6.1002  1932.85  207.053  1932.85  207.053  1932.85  207.053  111.963   6.1002  111.963   6.1002 0.000000 0.000000 
1 1 1    0    6   52 o  414.525   6.3652 26286.26  804.909 26286.26  804.909 26286.26  804.909  414.525   6.3652  414.525   6.3652 0.000000 0.000000 
1 1 1    0    6   53 o   79.946   4.1756  984.109  101.255  984.109  101.255  984.109  101.255   79.946   4.1756   79.946   4.1756 0.000000 0.000000 
1 1 1    0    6   54 o  114.862   3.9390  2022.03  137.729  2022.03  137.729  2022.03  137.729  114.862   3.9390  114.862   3.9390 0.000000 0.000000 
1 1 1    0    6   55 f  162.347   13.848  4148.32  674.688  4148.32  674.688  4148.32  674.688  162.347   13.848  162.347   13.848 0.000000 0.000000 
1 1 1    0    6   56 o   35.480   5.9863  208.094   59.286  208.094   59.286  208.094   59.286   35.480   5.9863   35.480   5.9863 0.000000 0.000000 
1 1 1    0    6   57 o   88.699   3.4208  1206.91   92.298  1206.91   92.298  1206.91   92.298   88.699   3.4208   88.699   3.4208 -0.000000 0.000000 
1 1 1    0    6   58 o  110.309   4.5623  1869.22  153.009  1869.22  153.009  1869.22  153.009  110.309   4.5623  110.309   4.5623 0.000000 0.000000 
1 1 1    0    6   59 o   69.847   3.5154  750.911   74.512  750.911   74.512  750.911   74.512   69.847   3.5154   69.847   3.5154 -0.000000 0.000000 
1 1 1    0    6   60 o  128.905   3.7499  2545.62  147.258  2545.62  147.258  2545.62  147.258  128.905   3.7499  128.905   3.7499 -0.000000 0.000000 
1 1 1    0    6   61 o   57.907   4.9418  524.145   85.881  524.145   85.881  524.145   85.881   57.907   4.9418   57.907   4.9418 0.000000 0.000000 
1 1 1    0    6   62 o  102.572   3.3006  1612.78  103.089  1612.78  103.089  1612.78  103.089  102.572   3.3006  102.572   3.3006 -0.000000 0.000000 
1 1 1    0    6   63 o   26.391   10.226  146.618   78.328  146.618   78.328  146.618   78.328   26.391   10.226   26.391   10.226 0.000000 0.000000 
1 1 1    0    6   64 o  100.429   13.256  1656.36  386.640  1656.36  386.640  1656.36  386.640  100.429   13.256  100.429   13.256 0.000000 0.000000 
1 1 1    0    7    4 o  299.801   19.291 13940.28  1748.48 13940.28  1748.48 13940.28  1748.48  299.801   19.291  299.801   19.291 0.000000 0.000000 
1 1 1    0    7    5 o  766.990   32.063 91282.12  7476.33 91282.12  7476.33 91282.12  7476.33  766.990   32.063  766.990   32.063 -0.000000 0.000000 
1 1 1    0    7    6 o  140.561   11.741  3082.69  495.629  3082.69  495.629  3082.69  495.629  140.561   11.741  140.561   11.741 0.000000 0.000000 
1 1 1    0    7    7 o  505.174   30.834 39840.54  4713.80 39840.54  4713.80 39840.54  4713.80  505.174   30.834  505.174   30.834 -0.000000 0.000000 
1 1 1    0    7    8 o  124.346   4.8935  2371.38  185.071  2371.38  185.071  2371.38  185.071  124.346   4.8935  124.346   4.8935 -0.000000 0.000000 
1 1 1    0    7    9 o  417.425   25.834 27134.74  3262.57 27134.74  3262.57 27134.74  3262.57  417.425   25.834  417.425   25.834 0.000000 0.000000 
1 1 1    0    7   10 o  265.568   7.8676 10800.65  636.464 10800.65  636.464 10800.65  636.464  265.568   7.8676  265.568   7.8676 -0.000000 0.000000 
1 1 1    0    7   11 o   43.305   4.9035  297.140   62.671  297.140   62.671  297.140   62.671   43.305   4.9035   43.305   4.9035 0.000000 0.000000 
1 1 1    0    7   12 o  340.525   9.1141 17753.50  945.744 17753.50  945.744 17753.50  945.744  340.525   9.1141  340.525   9.1141 0.000000 0.000000 
1 1 1    0    7   16 o  258.018   7.6883 10191.91  604.260 10191.91  604.260 10191.91  604.260  258.018   7.6883  258.018   7.6883 -0.000000 0.000000 
1 1 1    0    7   17 o  800.826   19.033 98299.33  4646.27 98299.33  4646.27 98299.33  4646.27  800.826   19.033  800.826   19.033 0.000000 0.000000 
1 1 1    0    7   18 o  160.193   5.1352  3929.07  250.502  3929.07  250.502  3929.07  250.502  160.193   5.1352  160.193   5.1352 -0.000000 0.000000 
1 1 1    0    7   19 o  534.770   14.199 43792.77  2313.85 43792.77  2313.85 43792.77  2313.85  534.770   14.199  534.770   14.199 0.000000 0.000000 
1 1 1    0    7   20 o  482.145   11.519 35566.59  1693.02 35566.59  1693.02 35566.59  1693.02  482.145   11.519  482.145   11.519 0.000000 0.000000 
1 1 1    0    7   21 o  554.222   14.340 47029.32  2422.08 47029.32  2422.08 47029.32  2422.08  554.222   14.340  554.222   14.340 0.000000 0.000000 
1 1 1    0    7   22 o  481.172   8.9589 35387.68  1314.71 35387.68  1314.71 35387.68  1314.71  481.172   8.9589  481.172   8.9589 0.000000 0.000000 
1 1 1    0    7   23 o  527.336   9.4806 42503.60  1524.84 42503.60  1524.84 42503.60  1524.84  527.336   9.4806  527.336   9.4806 0.000000 0.000000 
1 1 1    0    7   24 o  1387.31   46.093 298697.50 19468.75 298697.50 19468.75 298697.50 19468.75  1387.31   46.093  1387.31   46.093 0.000000 0.000000 
1 1 1    0    7   25 o  994.149   18.011 151304.91  5461.12 151304.91  5461.12 151304.91  5461.12  994.149   18.011  994.149   18.011 -0.000000 0.000000 
1 1 1    0    7   26 f  524.132   11.714 42026.83  1871.81 42026.83  1871.81 42026.83  1871.81  524.132   11.714  524.132   11.714 0.000000 0.000000 
1 1 1    0    7   27 o  831.602   15.263 105821.50  3871.07 105821.50  3871.07 105821.50  3871.07  831.602   15.263  831.602   15.263 0.000000 0.000000 
1 1 1    0    7   28 o  1121.19   14.818 192253.80  5069.09 192253.80  5069.09 192253.80  5069.09  1121.19   14.818  1121.19   14.818 -0.000000 0.000000 
1 1 1    0    7   29 o  133.243   3.0406  2713.85  123.512  2713.85  123.512  2713.85  123.512  133.243   3.0406  133.243   3.0406 -0.000000 0.000000 
1 1 1    0    7   30 o  370.888   23.521 21335.72  2638.13 21335.72  2638.13 21335.72  2638.13  370.888   23.521  370.888   23.521 -0.000000 0.000000 
1 1 1    0    7   31 f  912.036   16.939 127382.00  4711.79 127382.00  4711.79 127382.00  4711.79  912.036   16.939  912.036   16.939 -0.000000 0.000000 
1 1 1    0    7   32 o  138.849   4.7167  2952.99  199.370  2952.99  199.370  2952.99  199.370  138.849   4.7167  138.849   4.7167 -0.000000 0.000000 
1 1 1    0    7   33 o  408.849   7.6911 25552.71  959.009 25552.71  959.009 25552.71  959.009  408.849   7.6911  408.849   7.6911 0.000000 0.000000 
1 1 1    0    7   34 o   64.877   3.4311  647.804   67.509  647.804   67.509  647.804   67.509   64.877   3.4311   64.877   3.4311 0.000000 0.000000 
1 1 1    0    7   35 o  285.388   7.2683 12463.05  632.191 12463.05  632.191 12463.05  632.191  285.388   7.2683  285.388   7.2683 -0.000000 0.000000 
1 1 1    0    7   36 o   49.922   5.6409  394.884   83.123  394.884   83.123  394.884   83.123   49.922   5.6409   49.922   5.6409 -0.000000 0.000000 
1 1 1    0    7   37 o  268.197   7.5045 11015.07  613.232 11015.07  613.232 11015.07  613.232  268.197   7.5045  268.197   7.5045 0.000000 0.000000 
1 1 1    0    7   38 o  676.031   18.378 70424.44  3785.69 70424.44  3785.69 70424.44  3785.69  676.031   18.378  676.031   18.378 -0.000000 0.000000 
1 1 1    0    7   39 o  148.486   5.1497  3379.11  232.753  3379.11  232.753  3379.11  232.753  148.486   5.1497  148.486   5.1497 0.000000 0.000000 
1 1 1    0    7   40 o  200.908   3.5841  6167.98  219.628  6167.98  219.628  6167.98  219.628  200.908   3.5841  200.908   3.5841 -0.000000 0.000000 
1 1 1    0    7   41 o  352.724   5.7790 19020.12  621.790 19020.12  621.790 19020.12  621.790  352.724   5.7790  352.724   5.7790 0.000000 0.000000 
1 1 1    0    7   42 o   43.801   4.1653  300.806   54.530  300.806   54.530  300.806   54.530   43.801   4.1653   43.801   4.1653 0.000000 0.000000 
1 1 1    0    7   43 o  535.304   13.735 44076.46  2240.77 44076.46  2240.77 44076.46  2240.77  535.304   13.735  535.304   13.735 -0.000000 0.000000 
1 1 1    0    7   44 o  241.949   6.3949  8964.58  471.508  8964.58  471.508  8964.58  471.508  241.949   6.3949  241.949   6.3949 -0.000000 0.000000 
1 1 1    0    7   45 o   18.688   10.022   76.214   78.558   76.214   78.558   76.214   78.558   18.688   10.022   18.688   10.022 0.000000 0.000000 
1 1 1    0    7   46 o  188.716   4.1147  5446.09  236.756  5446.09  236.756  5446.09  236.756  188.716   4.1147  188.716   4.1147 0.000000 0.000000 
1 1 1    0    7   47 o  245.967   7.1116  9273.10  532.895  9273.10  532.895  9273.10  532.895  245.967   7.1116  245.967   7.1116 0.000000 0.000000 
1 1 1    0    7   48 o  283.616   6.8795 12318.83  594.735 12318.83  594.735 12318.83  594.735  283.616   6.8795  283.616   6.8795 -0.000000 0.000000 
1 1 1    0    7   49 o   39.311   10.684  283.067  110.813  283.067  110.813  283.067  110.813   39.311   10.684   39.311   10.684 -0.000000 0.000000 
1 1 1    0    7   50 o   18.237   11.202   40.474  120.477   40.474  120.477   40.474  120.477   18.237   11.202   18.237   11.202 -0.000000 0.000000 
1 1 1    0    7   51 o   37.440   9.4231  251.097   93.132  251.097   93.132  251.097   93.132   37.440   9.4231   37.440   9.4231 -0.000000 0.000000 
1 1 1    0    7   52 o  196.258   3.6718  5887.75  219.779  5887.75  219.779  5887.75  219.779  196.258   3.6718  196.258   3.6718 -0.000000 0.000000 
1 1 1    0    7   53 f   83.322   4.3097  1068.90  108.934  1068.90  108.934  1068.90  108.934   83.322   4.3097   83.322   4.3097 0.000000 0.000000 
1 1 1    0    7   54 f  234.875   4.9707  8440.64  355.988  8440.64  355.988  8440.64  355.988  234.875   4.9707  234.875   4.9707 0.000000 0.000000 
1 1 1    0    7   55 o  192.786   5.7544  5697.34  337.923  5697.34  337.923  5697.34  337.923  192.786   5.7544  192.786   5.7544 0.000000 0.000000 
1 1 1    0    7   56 o   83.274   5.3249  1072.99  134.076  1072.99  134.076  1072.99  134.076   83.274   5.3249   83.274   5.3249 0.000000 0.000000 
1 1 1    0    7   57 f   65.512   3.6652  661.684   72.764  661.684   72.764  661.684   72.764   65.512   3.6652   65.512   3.6652 0.000000 0.000000 
1 1 1    0    7   58 o   78.301   4.2303  945.090  100.426  945.090  100.426  945.090  100.426   78.301   4.2303   78.301   4.2303 -0.000000 0.000000 
1 1 1    0    7   59 o  154.018   3.3036  3628.59  155.142  3628.59  155.142  3628.59  155.142  154.018   3.3036  154.018   3.3036 0.000000 0.000000 
1 1 1    0    7   60 o  116.034   5.1921  2072.54  183.049  2072.54  183.049  2072.54  183.049  116.034   5.1921  116.034   5.1921 0.000000 0.000000 
1 1 1    0    7   61 o   17.386   8.6678   68.408   55.917   68.408   55.917   68.408   55.917   17.386   8.6678   17.386   8.6678 0.000000 0.000000 
1 1 1    0    7   62 o   41.659   4.2897  273.792   53.219  273.792   53.219  273.792   53.219   41.659   4.2897   41.659   4.2897 0.000000 0.000000 
1 1 1    0    7   63 o   30.569   5.8309  157.807   48.660  157.807   48.660  157.807   48.660   30.569   5.8309   30.569   5.8309 0.000000 0.000000 
1 1 1    0    8    3 o  629.859   38.249 62374.45  7291.15 62374.45  7291.15 62374.45  7291.15  629.859   38.249  629.859   38.249 -0.000000 0.000000 
1 1 1    0    8    5 o  168.204   12.923  4403.39  654.464  4403.39  654.464  4403.39  654.464  168.204   12.923  168.204   12.923 0.000000 0.000000 
1 1 1    0    8    6 o  517.683   31.604 41911.33  4951.05 41911.33  4951.05 41911.33  4951.05  517.683   31.604  517.683   31.604 0.000000 0.000000 
1 1 1    0    8    7 o  582.883   24.756 52567.00  4386.29 52567.00  4386.29 52567.00  4386.29  582.883   24.756  582.883   24.756 0.000000 0.000000 
1 1 1    0    8    8 o  624.793   26.328 60453.12  5000.49 60453.12  5000.49 60453.12  5000.49  624.793   26.328  624.793   26.328 -0.000000 0.000000 
1 1 1    0    8    9 o  128.425   7.9585  2547.99  309.214  2547.99  309.214  2547.99  309.214  128.425   7.9585  128.425   7.9585 -0.000000 0.000000 
1 1 1    0    8   10 o  224.130   15.437  7797.15  1044.55  7797.15  1044.55  7797.15  1044.55  224.130   15.437  224.130   15.437 0.000000 0.000000 
1 1 1    0    8   14 o  675.595   22.999 70206.47  4730.16 70206.47  4730.16 70206.47  4730.16  675.595   22.999  675.595   22.999 0.000000 0.000000 
1 1 1    0    8   15 o   87.536   4.0531  1177.04  107.760  1177.04  107.760  1177.04  107.760   87.536   4.0531   87.536   4.0531 -0.000000 0.000000 
1 1 1    0    8   16 f  119.030   4.8082  2173.15  174.037  2173.15  174.037  2173.15  174.037  119.030   4.8082  119.030   4.8082 0.000000 0.000000 
1 1 1    0    8   17 o  504.724   30.669 39544.39  4684.77 39544.39  4684.77 39544.39  4684.77  504.724   30.669  504.724   30.669 0.000000 0.000000 
1 1 1    0    8   18 o  1306.17   35.000 262947.91 13930.84 262947.91 13930.84 262947.91 13930.84  1306.17   35.000  1306.17   35.000 -0.000000 0.000000 
1 1 1    0    8   19 o  933.426   38.719 134874.70 10987.94 134874.70 10987.94 134874.70 10987.94  933.426   38.719  933.426   38.719 0.000000 0.000000 
1 1 1    0    8   20 o  371.243   9.4452 21085.38  1068.69 21085.38  1068.69 21085.38  1068.69  371.243   9.4452  371.243   9.4452 -0.000000 0.000000 
1 1 1    0    8   21 o   69.090   2.9707  732.559   62.383  732.559   62.383  732.559   62.383   69.090   2.9707   69.090   2.9707 0.000000 0.000000 
1 1 1    0    8   22 o  436.021   10.204 29080.29  1356.28 29080.29  1356.28 29080.29  1356.28  436.021   10.204  436.021   10.204 0.000000 0.000000 
1 1 1    0    8   23 o  385.502   6.2816 22703.77  738.673 22703.77  738.673 22703.77  738.673  385.502   6.2816  385.502   6.2816 0.000000 0.000000 
1 1 1    0    8   24 o  606.567   11.026 56250.64  2039.86 56250.64  2039.86 56250.64  2039.86  606.567   11.026  606.567   11.026 -0.000000 0.000000 
1 1 1    0    8   25 o  473.566   6.5313 34254.96  943.648 34254.96  943.648 34254.96  943.648  473.566   6.5313  473.566   6.5313 -0.000000 0.000000 
1 1 1    0    8   26 o  1022.76   15.330 160013.20  4783.21 160013.20  4783.21 160013.20  4783.21  1022.76   15.330  1022.76   15.330 -0.000000 0.000000 
1 1 1    0    8   27 o  416.863   7.9085 26560.91  1005.44 26560.91  1005.44 26560.91  1005.44  416.863   7.9085  416.863   7.9085 -0.000000 0.000000 
1 1 1    0    8   28 o  270.935   5.4715 11218.77  452.049 11218.77  452.049 11218.77  452.049  270.935   5.4715  270.935   5.4715 0.000000 0.000000 
1 1 1    0    8   29 o   72.024   25.749  1049.16  516.898  1049.16  516.898  1049.16  516.898   72.024   25.749   72.024   25.749 -0.000000 0.000000 
1 1 1    0    8   30 o   72.040   3.4438  797.508   75.328  797.508   75.328  797.508   75.328   72.040   3.4438   72.040   3.4438 0.000000 0.000000 
1 1 1    0    8   31 o   39.491   4.1674  245.895   48.952  245.895   48.952  245.895   48.952   39.491   4.1674   39.491   4.1674 -0.000000 0.000000 
1 1 1    0    8   32 o   75.581   3.6616  878.040   84.017  878.040   84.017  878.040   84.017   75.581   3.6616   75.581   3.6616 0.000000 0.000000 
1 1 1    0    8   33 o   39.174   4.7331  244.326   54.399  244.326   54.399  244.326   54.399   39.174   4.7331   39.174   4.7331 0.000000 0.000000 
1 1 1    0    8   34 o  290.856   11.101 12988.40  982.214 12988.40  982.214 12988.40  982.214  290.856   11.101  290.856   11.101 -0.000000 0.000000 
1 1 1    0    8   35 f   99.369   4.4744  1516.54  135.081  1516.54  135.081  1516.54  135.081   99.369   4.4744   99.369   4.4744 0.000000 0.000000 
1 1 1    0    8   36 o  392.793   7.5523 23597.39  904.682 23597.39  904.682 23597.39  904.682  392.793   7.5523  392.793   7.5523 -0.000000 0.000000 
1 1 1    0    8   37 o  661.084   12.200 66979.30  2459.73 66979.30  2459.73 66979.30  2459.73  661.084   12.200  661.084   12.200 -0.000000 0.000000 
1 1 1    0    8   38 f  323.314   11.933 16072.22  1173.97 16072.22  1173.97 16072.22  1173.97  323.314   11.933  323.314   11.933 0.000000 0.000000 
1 1 1    0    8   39 o  282.282   8.3634 12214.42  719.148 12214.42  719.148 12214.42  719.148  282.282   8.3634  282.282   8.3634 0.000000 0.000000 
1 1 1    0    8   40 o   24.348   10.013  126.930   73.610  126.930   73.610  126.930   73.610   24.348   10.013   24.348   10.013 0.000000 0.000000 
1 1 1    0    8   41 o   84.444   3.3955  1093.86   87.196  1093.86   87.196  1093.86   87.196   84.444   3.3955   84.444   3.3955 -0.000000 0.000000 
1 1 1    0    8   42 o   64.720   3.0694  643.722   60.323  643.722   60.323  643.722   60.323   64.720   3.0694   64.720   3.0694 0.000000 0.000000 
1 1 1    0    8   43 o  231.216   4.1448  8171.18  292.294  8171.18  292.294  8171.18  292.294  231.216   4.1448  231.216   4.1448 0.000000 0.000000 
1 1 1    0    8   44 o  172.519   5.4942  4560.63  288.640  4560.63  288.640  4560.63  288.640  172.519   5.4942  172.519   5.4942 -0.000000 0.000000 
1 1 1    0    8   45 o  199.700   4.3854  6099.12  267.011  6099.12  267.011  6099.12  267.011  199.700   4.3854  199.700   4.3854 -0.000000 0.000000 
1 1 1    0    8   46 f   30.521   6.3236  159.322   51.980  159.322   51.980  159.322   51.980   30.521   6.3236   30.521   6.3236 -0.000000 0.000000 
1 1 1    0    8   47 o  186.872   5.4234  5348.61  308.750  5348.61  308.750  5348.61  308.750  186.872   5.4234  186.872   5.4234 0.000000 0.000000 
1 1 1    0    8   48 o  112.480   4.7184  1942.58  161.341  1942.58  161.341  1942.58  161.341  112.480   4.7184  112.480   4.7184 -0.000000 0.000000 
1 1 1    0    8   49 o  327.615   6.6807 16428.36  667.413 16428.36  667.413 16428.36  667.413  327.615   6.6807  327.615   6.6807 0.000000 0.000000 
1 1 1    0    8   50 o  139.975   5.2917  3006.22  225.348  3006.22  225.348  3006.22  225.348  139.975   5.2917  139.975   5.2917 -0.000000 0.000000 
1 1 1    0    8   51 o  154.854   3.7810  3668.29  178.468  3668.29  178.468  3668.29  178.468  154.854   3.7810  154.854   3.7810 0.000000 0.000000 
1 1 1    0    8   52 o  107.261   3.5690  1762.59  116.551  1762.59  116.551  1762.59  116.551  107.261   3.5690  107.261   3.5690 0.000000 0.000000 
1 1 1    0    8   53 o  379.848   7.5020 22104.56  868.997 22104.56  868.997 22104.56  868.997  379.848   7.5020  379.848   7.5020 0.000000 0.000000 
1 1 1    0    8   54 o  100.343   3.4828  1543.12  106.377  1543.12  106.377  1543.12  106.377  100.343   3.4828  100.343   3.4828 0.000000 0.000000 
1 1 1    0    8   55 o  167.601   4.1941  4299.23  214.250  4299.23  214.250  4299.23  214.250  167.601   4.1941  167.601   4.1941 -0.000000 0.000000 
1 1 1    0    8   56 o   57.591   8.0317  536.750  133.326  536.750  133.326  536.750  133.326   57.591   8.0317   57.591   8.0317 0.000000 0.000000 
1 1 1    0    8   57 o   69.108   3.6333  735.560   76.154  735.560   76.154  735.560   76.154   69.108   3.6333   69.108   3.6333 -0.000000 0.000000 
1 1 1    0    8   58 o  147.445   3.7526  3327.97  168.632  3327.97  168.632  3327.97  168.632  147.445   3.7526  147.445   3.7526 -0.000000 0.000000 
1 1 1    0    8   59 o   83.852   3.9269  1081.58  100.002  1081.58  100.002  1081.58  100.002   83.852   3.9269   83.852   3.9269 -0.000000 0.000000 
1 1 1    0    8   60 o  309.681   8.0686 14767.11  761.488 14767.11  761.488 14767.11  761.488  309.681   8.0686  309.681   8.0686 -0.000000 0.000000 
1 1 1    0    8   61 o   33.081   6.3556  185.018   57.326  185.018   57.326  185.018   57.326   33.081   6.3556   33.081   6.3556 -0.000000 0.000000 
1 1 1    0    8   62 o  147.018   5.8183  3329.44  260.158  3329.44  260.158  3329.44  260.158  147.018   5.8183  147.018   5.8183 -0.000000 0.000000 
1 1 1    0    9    3 o  323.135   20.629 16218.67  2015.59 16218.67  2015.59 16218.67  2015.59  323.135   20.629  323.135   20.629 -0.000000 0.000000 
1 1 1    0    9    4 o  365.583   22.945 20776.25  2537.19 20776.25  2537.19 20776.25  2537.19  365.583   22.945  365.583   22.945 0.000000 0.000000 
1 1 1    0    9    5 o  162.184   12.708  4095.82  620.211  4095.82  620.211  4095.82  620.211  162.184   12.708  162.184   12.708 0.000000 0.000000 
1 1 1    0    9    6 f  548.460   33.365 47036.11  5538.10 47036.11  5538.10 47036.11  5538.10  548.460   33.365  548.460   33.365 0.000000 0.000000 
1 1 1    0    9    7 o  154.507   13.028  3727.39  604.343  3727.39  604.343  3727.39  604.343  154.507   13.028  154.507   13.028 -0.000000 0.000000 
1 1 1    0    9    9 o  363.108   22.765 20465.08  2500.26 20465.08  2500.26 20465.08  2500.26  363.108   22.765  363.108   22.765 -0.000000 0.000000 
1 1 1    0    9   11 o  580.621   35.106 52551.51  6169.41 52551.51  6169.41 52551.51  6169.41  580.621   35.106  580.621   35.106 -0.000000 0.000000 
1 1 1    0    9   12 o  330.607   20.963 16938.22  2095.83 16938.22  2095.83 16938.22  2095.83  330.607   20.963  330.607   20.963 -0.000000 0.000000 
1 1 1    0    9   13 o  540.966   22.851 45068.41  3757.77 45068.41  3757.77 45068.41  3757.77  540.966   22.851  540.966   22.851 0.000000 0.000000 
1 1 1    0    9   14 o  361.838   9.3782 20033.22  1034.16 20033.22  1034.16 20033.22  1034.16  361.838   9.3782  361.838   9.3782 0.000000 0.000000 
1 1 1    0    9   15 o  130.845   4.6417  2622.99  184.848  2622.99  184.848  2622.99  184.848  130.845   4.6417  130.845   4.6417 -0.000000 0.000000 
1 1 1    0    9   16 o  308.525   8.9046 14570.29  836.951 14570.29  836.951 14570.29  836.951  308.525   8.9046  308.525   8.9046 -0.000000 0.000000 
1 1 1    0    9   17 o  690.530   10.677 72873.54  2249.09 72873.54  2249.09 72873.54  2249.09  690.530   10.677  690.530   10.677 0.000000 0.000000 
1 1 1    0    9   18 o  242.025   11.522  9007.23  846.742  9007.23  846.742  9007.23  846.742  242.025   11.522  242.025   11.522 0.000000 0.000000 
1 1 1    0    9   19 o   91.487   3.8808  1284.33  107.923  1284.33  107.923  1284.33  107.923   91.487   3.8808   91.487   3.8808 -0.000000 0.000000 
1 1 1    0    9   20 o  1349.11   54.776 284298.50 22471.32 284298.50 22471.32 284298.50 22471.32  1349.11   54.776  1349.11   54.776 0.000000 0.000000 
1 1 1    0    9   21 o  316.448   8.5426 15322.89  823.742 15322.89  823.742 15322.89  823.742  316.448   8.5426  316.448   8.5426 0.000000 0.000000 
1 1 1    0    9   22 o   91.181   4.2652  1277.28  118.112  1277.28  118.112  1277.28  118.112   91.181   4.2652   91.181   4.2652 0.000000 0.000000 
1 1 1    0    9   23 o  448.569   7.9657 30749.74  1089.84 30749.74  1089.84 30749.74  1089.84  448.569   7.9657  448.569   7.9657 -0.000000 0.000000 
1 1 1    0    9   24 o   99.409   3.3038  1513.24   99.993  1513.24   99.993  1513.24   99.993   99.409   3.3038   99.409   3.3038 0.000000 0.000000 
1 1 1    0    9   25 o  509.333   12.346 39703.64  1916.78 39703.64  1916.78 39703.64  1916.78  509.333   12.346  509.333   12.346 -0.000000 0.000000 
1 1 1    0    9   26 o  271.064   4.7327 11225.38  391.293 11225.38  391.293 11225.38  391.293  271.064   4.7327  271.064   4.7327 -0.000000 0.000000 
1 1 1    0    9   27 o  384.510   9.5059 22620.27  1114.09 22620.27  1114.09 22620.27  1114.09  384.510   9.5059  384.510   9.5059 -0.000000 0.000000 
1 1 1    0    9   28 o  388.812   7.7230 23109.32  915.705 23109.32  915.705 23109.32  915.705  388.812   7.7230  388.812   7.7230 0.000000 0.000000 
1 1 1    0    9   29 o  251.953   7.7244  9720.01  592.755  9720.01  592.755  9720.01  592.755  251.953   7.7244  251.953   7.7244 0.000000 0.000000 
1 1 1    0    9   30 o  631.060   15.686 61025.01  3017.06 61025.01  3017.06 61025.01  3017.06  631.060   15.686  631.060   15.686 -0.000000 0.000000 
1 1 1    0    9   31 o  337.128   6.3210 17370.38  649.911 17370.38  649.911 17370.38  649.911  337.128   6.3210  337.128   6.3210 0.000000 0.000000 
1 1 1    0    9   32 o  208.326   4.4544  6633.90  282.944  6633.90  282.944  6633.90  282.944  208.326   4.4544  208.326   4.4544 -0.000000 0.000000 
1 1 1    0    9   33 o  231.405   9.2857  8221.02  653.452  8221.02  653.452  8221.02  653.452  231.405   9.2857  231.405   9.2857 -0.000000 0.000000 
1 1 1    0    9   34 o  573.619   10.618 50357.52  1857.53 50357.52  1857.53 50357.52  1857.53  573.619   10.618  573.619   10.618 -0.000000 0.000000 
1 1 1    0    9   35 o  406.098   8.0254 25227.75  993.875 25227.75  993.875 25227.75  993.875  406.098   8.0254  406.098   8.0254 0.000000 0.000000 
1 1 1    0    9   36 o  156.732   3.8465  3756.86  183.759  3756.86  183.759  3756.86  183.759  156.732   3.8465  156.732   3.8465 0.000000 0.000000 
1 1 1    0    9   37 o  139.734   2.6914  2983.67  114.690  2983.67  114.690  2983.67  114.690  139.734   2.6914  139.734   2.6914 -0.000000 0.000000 
1 1 1    0    9   38 o   35.907   7.2045  219.135   70.023  219.135   70.023  219.135   70.023   35.907   7.2045   35.907   7.2045 0.000000 0.000000 
1 1 1    0    9   39 o   61.525   4.2093  586.037   78.196  586.037   78.196  586.037   78.196   61.525   4.2093   61.525   4.2093 -0.000000 0.000000 
1 1 1    0    9   40 o  119.768   5.2587  2203.48  191.392  2203.48  191.392  2203.48  191.392  119.768   5.2587  119.768   5.2587 0.000000 0.000000 
1 1 1    0    9   41 o  157.487   10.180  3844.12  484.669  3844.12  484.669  3844.12  484.669  157.487   10.180  157.487   10.180 -0.000000 0.000000 
1 1 1    0    9   42 o  184.560   4.2841  5209.78  241.040  5209.78  241.040  5209.78  241.040  184.560   4.2841  184.560   4.2841 0.000000 0.000000 
1 1 1    0    9   43 o  341.817   6.8771 17881.09  716.839 17881.09  716.839 17881.09  716.839  341.817   6.8771  341.817   6.8771 -0.000000 0.000000 
1 1 1    0    9   44 o   50.863   6.2096  412.652   92.563  412.652   92.563  412.652   92.563   50.863   6.2096   50.863   6.2096 -0.000000 0.000000 
1 1 1    0    9   45 o  152.483   4.8088  3561.89  223.301  3561.89  223.301  3561.89  223.301  152.483   4.8088  152.483   4.8088 -0.000000 0.000000 
1 1 1    0    9   46 o  404.997   6.6607 25092.79  822.860 25092.79  822.860 25092.79  822.860  404.997   6.6607  404.997   6.6607 0.000000 0.000000 
1 1 1    0    9   49 o   54.246   4.7951  459.915   77.967  459.915   77.967  459.915   77.967   54.246   4.7951   54.246   4.7951 -0.000000 0.000000 
1 1 1    0    9   50 o   38.266   19.000  333.410  268.234  333.410  268.234  333.410  268.234   38.266   19.000   38.266   19.000 -0.000000 0.000000 
1 1 1    0    9   51 o  148.181   3.2396  3357.30  146.361  3357.30  146.361  3357.30  146.361  148.181   3.2396  148.181   3.2396 0.000000 0.000000 
1 1 1    0    9   52 o  154.992   3.2899  3672.89  155.479  3672.89  155.479  3672.89  155.479  154.992   3.2899  154.992   3.2899 0.000000 0.000000 
1 1 1    0    9   53 o   46.025   4.0774  331.091   56.245  331.091   56.245  331.091   56.245   46.025   4.0774   46.025   4.0774 -0.000000 0.000000 
1 1 1    0    9   54 o  236.243   3.6928  8530.03  266.131  8530.03  266.131  8530.03  266.131  236.243   3.6928  236.243   3.6928 0.000000 0.000000 
1 1 1    0    9   55 o  413.511   11.652 26371.40  1468.00 26371.40  1468.00 26371.40  1468.00  413.511   11.652  413.511   11.652 -0.000000 0.000000 
1 1 1    0    9   56 o  183.605   4.2710  5159.34  239.055  5159.34  239.055  5159.34  239.055  183.605   4.2710  183.605   4.2710 0.000000 0.000000 
1 1 1    0    9   57 o   93.148   3.4786  1330.89   98.585  1330.89   98.585  1330.89   98.585   93.148   3.4786   93.148   3.4786 0.000000 0.000000 
1 1 1    0    9   58 o   94.681   4.0103  1377.32  115.421  1377.32  115.421  1377.32  115.421   94.681   4.0103   94.681   4.0103 0.000000 0.000000 
1 1 1    0    9   59 o  207.960   17.185  6923.37  1073.66  6923.37  1073.66  6923.37  1073.66  207.960   17.185  207.960   17.185 -0.000000 0.000000 
1 1 1    0    9   60 o  244.332   6.8663  9181.56  511.148  9181.56  511.148  9181.56  511.148  244.332   6.8663  244.332   6.8663 -0.000000 0.000000 
1 1 1    0    9   61 o   34.556   6.5838  201.711   62.120  201.711   62.120  201.711   62.120   34.556   6.5838   34.556   6.5838 0.000000 0.000000 
1 1 1    0   10    8 o   21.717   12.266   94.712  124.593   94.712  124.593   94.712  124.593   21.717   12.266   21.717   12.266 0.000000 0.000000 
1 1 1    0   10    9 o  232.336   15.854  8368.09  1112.29  8368.09  1112.29  8368.09  1112.29  232.336   15.854  232.336   15.854 0.000000 0.000000 
1 1 1    0   10   10 o  783.599   19.107 94122.45  4563.70 94122.45  4563.70 94122.45  4563.70  783.599   19.107  783.599   19.107 -0.000000 0.000000 
1 1 1    0   10   11 o  873.816   20.924 117080.30  5573.47 117080.30  5573.47 117080.30  5573.47  873.816   20.924  873.816   20.924 -0.000000 0.000000 
1 1 1    0   10   12 o  382.649   16.805 22516.17  1954.10 22516.17  1954.10 22516.17  1954.10  382.649   16.805  382.649   16.805 -0.000000 0.000000 
1 1 1    0   10   13 o  654.062   27.368 65941.09  5441.79 65941.09  5441.79 65941.09  5441.79  654.062   27.368  654.062   27.368 0.000000 0.000000 
1 1 1    0   10   14 o   26.770   14.462  154.827  164.711  154.827  164.711  154.827  164.711   26.770   14.462   26.770   14.462 0.000000 0.000000 
1 1 1    0   10   15 f  552.183   13.956 46677.06  2348.68 46677.06  2348.68 46677.06  2348.68  552.183   13.956  552.183   13.956 -0.000000 0.000000 
1 1 1    0   10   16 o  782.948   19.102 93927.05  4558.74 93927.05  4558.74 93927.05  4558.74  782.948   19.102  782.948   19.102 0.000000 0.000000 
1 1 1    0   10   17 o  1097.02   19.406 184258.00  6493.31 184258.00  6493.31 184258.00  6493.31  1097.02   19.406  1097.02   19.406 0.000000 0.000000 
1 1 1    0   10   18 o  293.513   7.6971 13179.39  688.484 13179.39  688.484 13179.39  688.484  293.513   7.6971  293.513   7.6971 0.000000 0.000000 
1 1 1    0   10   19 o  597.017   14.811 54571.42  2695.08 54571.42  2695.08 54571.42  2695.08  597.017   14.811  597.017   14.811 0.000000 0.000000 
1 1 1    0   10   20 o  665.621   40.053 69044.59  8069.90 69044.59  8069.90 69044.59  8069.90  665.621   40.053  665.621   40.053 0.000000 0.000000 
1 1 1    0   10   21 o  951.466   38.284 140177.80 11077.19 140177.80 11077.19 140177.80 11077.19  951.466   38.284  951.466   38.284 -0.000000 0.000000 
1 1 1    0   10   22 o  131.922   3.7283  2662.57  149.851  2662.57  149.851  2662.57  149.851  131.922   3.7283  131.922   3.7283 0.000000 0.000000 
1 1 1    0   10   23 o   98.362   2.7418  1480.05   82.171  1480.05   82.171  1480.05   82.171   98.362   2.7418   98.362   2.7418 0.000000 0.000000 
1 1 1    0   10   24 o  145.871   3.7988  3254.27  168.875  3254.27  168.875  3254.27  168.875  145.871   3.7988  145.871   3.7988 -0.000000 0.000000 
1 1 1    0   10   25 o  295.623   13.738 13442.13  1233.46 13442.13  1233.46 13442.13  1233.46  295.623   13.738  295.623   13.738 -0.000000 0.000000 
1 1 1    0   10   26 o  101.096   3.5765  1565.76  110.046  1565.76  110.046  1565.76  110.046  101.096   3.5765  101.096   3.5765 0.000000 0.000000 
1 1 1    0   10   27 o  602.287   11.626 55482.40  2135.38 55482.40  2135.38 55482.40  2135.38  602.287   11.626  602.287   11.626 -0.000000 0.000000 
1 1 1    0   10   28 o   35.174   6.5898  207.596   63.478  207.596   63.478  207.596   63.478   35.174   6.5898   35.174   6.5898 0.000000 0.000000 
1 1 1    0   10   29 o  214.812   3.8425  7049.87  251.754  7049.87  251.754  7049.87  251.754  214.812   3.8425  214.812   3.8425 -0.000000 0.000000 
1 1 1    0   10   30 o   59.193   3.3379  539.860   59.866  539.860   59.866  539.860   59.866   59.193   3.3379   59.193   3.3379 -0.000000 0.000000 
1 1 1    0   10   31 o  194.807   4.2131  5800.92  250.246  5800.92  250.246  5800.92  250.246  194.807   4.2131  194.807   4.2131 0.000000 0.000000 
1 1 1    0   10   32 o   85.809   8.5921  1158.26  219.861  1158.26  219.861  1158.26  219.861   85.809   8.5921   85.809   8.5921 0.000000 0.000000 
1 1 1    0   10   33 o  121.667   4.4354  2268.79  164.215  2268.79  164.215  2268.79  164.215  121.667   4.4354  121.667   4.4354 0.000000 0.000000 
1 1 1    0   10   34 o  275.518   5.7463 11607.11  482.755 11607.11  482.755 11607.11  482.755  275.518   5.7463  275.518   5.7463 -0.000000 0.000000 
1 1 1    0   10   35 o  341.712   6.5787 17856.39  685.570 17856.39  685.570 17856.39  685.570  341.712   6.5787  341.712   6.5787 0.000000 0.000000 
1 1 1    0   10   36 o  222.398   3.4658  7555.92  235.132  7555.92  235.132  7555.92  235.132  222.398   3.4658  222.398   3.4658 0.000000 0.000000 
1 1 1    0   10   37 o  540.292   12.733 44807.98  2097.19 44807.98  2097.19 44807.98  2097.19  540.292   12.733  540.292   12.733 -0.000000 0.000000 
1 1 1    0   10   38 o  132.858   3.7437  2701.20  151.539  2701.20  151.539  2701.20  151.539  132.858   3.7437  132.858   3.7437 0.000000 0.000000 
1 1 1    0   10   39 o  216.919   6.3460  7207.68  419.347  7207.68  419.347  7207.68  419.347  216.919   6.3460  216.919   6.3460 -0.000000 0.000000 
1 1 1    0   10   40 o   11.000   6.7766   13.901   44.376   13.901   44.376   13.901   44.376   11.000   6.7766   11.000   6.7766 -0.000000 0.000000 
1 1 1    0   10   41 o  146.059   5.3215  3271.60  236.523  3271.60  236.523  3271.60  236.523  146.059   5.3215  146.059   5.3215 -0.000000 0.000000 
1 1 1    0   10   42 o  338.069   9.7400 17541.03  1003.14 17541.03  1003.14 17541.03  1003.14  338.069   9.7400  338.069   9.7400 0.000000 0.000000 
1 1 1    0   10   43 f  116.401   5.5961  2084.32  197.772  2084.32  197.772  2084.32  197.772  116.401   5.5961  116.401   5.5961 0.000000 0.000000 
1 1 1    0   10   44 o  248.967   4.2557  9474.00  323.180  9474.00  323.180  9474.00  323.180  248.967   4.2557  248.967   4.2557 0.000000 0.000000 
1 1 1    0   10   45 o  254.418   5.1993  9900.44  403.365  9900.44  403.365  9900.44  403.365  254.418   5.1993  254.418   5.1993 0.000000 0.000000 
1 1 1    0   10   46 f  194.711   6.0328  5810.25  357.751  5810.25  357.751  5810.25  357.751  194.711   6.0328  194.711   6.0328 0.000000 0.000000 
1 1 1    0   10   47 o   96.409   5.2350  1432.43  153.008  1432.43  153.008  1432.43  153.008   96.409   5.2350   96.409   5.2350 0.000000 0.000000 
1 1 1    0   10   48 o  180.980   4.0879  5009.47  225.554  5009.47  225.554  5009.47  225.554  180.980   4.0879  180.980   4.0879 0.000000 0.000000 
1 1 1    0   10   49 o   61.964   3.0231  590.345   56.865  590.345   56.865  590.345   56.865   61.964   3.0231   61.964   3.0231 0.000000 0.000000 
1 1 1    0   10   50 o  172.553   4.1786  4555.30  219.783  4555.30  219.783  4555.30  219.783  172.553   4.1786  172.553   4.1786 -0.000000 0.000000 
1 1 1    0   10   51 o  136.242   3.3165  2839.22  137.729  2839.22  137.729  2839.22  137.729  136.242   3.3165  136.242   3.3165 -0.000000 0.000000 
1 1 1    0   10   52 o  203.105   3.8157  6306.65  236.357  6306.65  236.357  6306.65  236.357  203.105   3.8157  203.105   3.8157 -0.000000 0.000000 
1 1 1    0   10   53 o  150.451   3.7458  3463.43  171.770  3463.43  171.770  3463.43  171.770  150.451   3.7458  150.451   3.7458 -0.000000 0.000000 
1 1 1    0   10   54 f   69.412   3.7800  742.415   79.540  742.415   79.540  742.415   79.540   69.412   3.7800   69.412   3.7800 -0.000000 0.000000 
1 1 1    0   10   55 o   94.431   3.1647  1366.33   90.981  1366.33   90.981  1366.33   90.981   94.431   3.1647   94.431   3.1647 -0.000000 0.000000 
1 1 1    0   10   56 o  148.995   4.0518  3399.42  183.955  3399.42  183.955  3399.42  183.955  148.995   4.0518  148.995   4.0518 0.000000 0.000000 
1 1 1    0   10   57 o   60.125   6.1540  570.483  110.225  570.483  110.225  570.483  110.225   60.125   6.1540   60.125   6.1540 0.000000 0.000000 
1 1 1    0   10   58 o  220.878   6.5581  7495.38  441.248  7495.38  441.248  7495.38  441.248  220.878   6.5581  220.878   6.5581 0.000000 0.000000 
1 1 1    0   10   59 f  167.830   3.4264  4309.49  175.356  4309.49  175.356  4309.49  175.356  167.830   3.4264  167.830   3.4264 -0.000000 0.000000 
1 1 1    0   10   60 f  219.048   6.3573  7378.00  424.228  7378.00  424.228  7378.00  424.228  219.048   6.3573  219.048   6.3573 0.000000 0.000000 
1 1 1    0   10   62 o   10.905   6.8438   9.5225   47.425   9.5225   47.425   9.5225   47.425   10.905   6.8438   10.905   6.8438 -0.000000 0.000000 
1 1 1    0   11    5 o  389.733   24.208 23543.11  2854.20 23543.11  2854.20 23543.11  2854.20  389.733   24.208  389.733   24.208 0.000000 0.000000 
1 1 1    0   11    6 o  265.032   17.544 10882.58  1404.93 10882.58  1404.93 10882.58  1404.93  265.032   17.544  265.032   17.544 0.000000 0.000000 
1 1 1    0   11    7 o  150.722   12.427  3540.64  562.758  3540.64  562.758  3540.64  562.758  150.722   12.427  150.722   12.427 -0.000000 0.000000 
1 1 1    0   11    8 o  352.596   22.143 19257.79  2361.50 19257.79  2361.50 19257.79  2361.50  352.596   22.143  352.596   22.143 0.000000 0.000000 
1 1 1    0   11    9 o  625.190   37.610 60834.77  7117.41 60834.77  7117.41 60834.77  7117.41  625.190   37.610  625.190   37.610 0.000000 0.000000 
1 1 1    0   11   10 o  226.257   15.618  7935.56  1066.73  7935.56  1066.73  7935.56  1066.73  226.257   15.618  226.257   15.618 -0.000000 0.000000 
1 1 1    0   11   11 o  704.397   42.249 77366.29  9008.62 77366.29  9008.62 77366.29  9008.62  704.397   42.249  704.397   42.249 0.000000 0.000000 
1 1 1    0   11   12 o  693.115   41.580 74873.13  8724.02 74873.13  8724.02 74873.13  8724.02  693.115   41.580  693.115   41.580 0.000000 0.000000 
1 1 1    0   11   13 o  961.842   25.789 142063.70  7558.68 142063.70  7558.68 142063.70  7558.68  961.842   25.789  961.842   25.789 -0.000000 0.000000 
1 1 1    0   11   14 o  786.787   47.137 96750.80 11226.67 96750.80 11226.67 96750.80 11226.67  786.787   47.137  786.787   47.137 -0.000000 0.000000 
1 1 1    0   11   15 o   6.4212   4.5433 -46.5073   36.562 -46.5073   36.562 -46.5073   36.562   6.4212   4.5433   6.4212   4.5433 -0.000000 0.000000 
1 1 1    0   11   16 f   63.893   13.971  705.902  238.598  705.902  238.598  705.902  238.598   63.893   13.971   63.893   13.971 -0.000000 0.000000 
1 1 1    0   11   17 o  825.969   15.428 104383.10  3886.43 104383.10  3886.43 104383.10  3886.43  825.969   15.428  825.969   15.428 0.000000 0.000000 
1 1 1    0   11   18 o  939.875   39.602 136905.41 11314.74 136905.41 11314.74 136905.41 11314.74  939.875   39.602  939.875   39.602 -0.000000 0.000000 
1 1 1    0   11   19 o  762.227   13.820 88866.73  3212.91 88866.73  3212.91 88866.73  3212.91  762.227   13.820  762.227   13.820 0.000000 0.000000 
1 1 1    0   11   20 o  112.305   4.1899  1933.07  143.169  1933.07  143.169  1933.07  143.169  112.305   4.1899  112.305   4.1899 -0.000000 0.000000 
1 1 1    0   11   21 o  864.786   15.395 114430.70  4060.66 114430.70  4060.66 114430.70  4060.66  864.786   15.395  864.786   15.395 -0.000000 0.000000 
1 1 1    0   11   22 o  433.611   12.041 28790.18  1590.83 28790.18  1590.83 28790.18  1590.83  433.611   12.041  433.611   12.041 -0.000000 0.000000 
1 1 1    0   11   23 o   56.960   5.3916  508.417   91.804  508.417   91.804  508.417   91.804   56.960   5.3916   56.960   5.3916 -0.000000 0.000000 
1 1 1    0   11   24 o  488.494   12.368 36529.74  1841.37 36529.74  1841.37 36529.74  1841.37  488.494   12.368  488.494   12.368 0.000000 0.000000 
1 1 1    0   11   25 o  727.387   43.788 82832.63  9640.99 82832.63  9640.99 82832.63  9640.99  727.387   43.788  727.387   43.788 -0.000000 0.000000 
1 1 1    0   11   26 o  100.248   4.4426  1542.98  135.327  1542.98  135.327  1542.98  135.327  100.248   4.4426  100.248   4.4426 0.000000 0.000000 
1 1 1    0   11   27 o  298.345   8.0167 13621.06  728.821 13621.06  728.821 13621.06  728.821  298.345   8.0167  298.345   8.0167 0.000000 0.000000 
1 1 1    0   11   28 o   93.027   3.1169  1325.28   88.277  1325.28   88.277  1325.28   88.277   93.027   3.1169   93.027   3.1169 0.000000 0.000000 
1 1 1    0   11   29 o  132.519   3.5411  2686.14  142.997  2686.14  142.997  2686.14  142.997  132.519   3.5411  132.519   3.5411 -0.000000 0.000000 
1 1 1    0   11   30 o   53.108   4.1826  438.476   66.831  438.476   66.831  438.476   66.831   53.108   4.1826   53.108   4.1826 0.000000 0.000000 
1 1 1    0   11   31 o  431.344   7.9718 28449.81  1048.72 28449.81  1048.72 28449.81  1048.72  431.344   7.9718  431.344   7.9718 0.000000 0.000000 
1 1 1    0   11   32 o  705.571   17.334 76498.36  3727.80 76498.36  3727.80 76498.36  3727.80  705.571   17.334  705.571   17.334 0.000000 0.000000 
1 1 1    0   11   33 o  369.516   9.8578 20921.67  1110.02 20921.67  1110.02 20921.67  1110.02  369.516   9.8578  369.516   9.8578 0.000000 0.000000 
1 1 1    0   11   34 o   74.026   3.9852  843.825   89.448  843.825   89.448  843.825   89.448   74.026   3.9852   74.026   3.9852 -0.000000 0.000000 
1 1 1    0   11   35 o  440.387   8.0096 29672.56  1075.81 29672.56  1075.81 29672.56  1075.81  440.387   8.0096  440.387   8.0096 0.000000 0.000000 
1 1 1    0   11   36 o   55.576   4.2114  479.657   70.496  479.657   70.496  479.657   70.496   55.576   4.2114   55.576   4.2114 -0.000000 0.000000 
1 1 1    0   11   37 o   28.651   16.460  159.286  229.669  159.286  229.669  159.286  229.669   28.651   16.460   28.651   16.460 -0.000000 0.000000 
1 1 1    0   11   38 o  542.334   13.899 45225.31  2297.31 45225.31  2297.31 45225.31  2297.31  542.334   13.899  542.334   13.899 -0.000000 0.000000 
1 1 1    0   11   39 o  189.992   4.1170  5519.40  238.493  5519.40  238.493  5519.40  238.493  189.992   4.1170  189.992   4.1170 0.000000 0.000000 
1 1 1    0   11   40 o  228.622   5.0565  7994.92  352.456  7994.92  352.456  7994.92  352.456  228.622   5.0565  228.622   5.0565 0.000000 0.000000 
1 1 1    0   11   41 o  146.026   4.9328  3268.02  219.291  3268.02  219.291  3268.02  219.291  146.026   4.9328  146.026   4.9328 -0.000000 0.000000 
1 1 1    0   11   42 o  215.343   6.9845  7111.32  457.982  7111.32  457.982  7111.32  457.982  215.343   6.9845  215.343   6.9845 -0.000000 0.000000 
1 1 1    0   11   43 o  152.600   5.7168  3572.89  265.424  3572.89  265.424  3572.89  265.424  152.600   5.7168  152.600   5.7168 0.000000 0.000000 
1 1 1    0   11   44 o  112.858   11.968  2018.28  401.670  2018.28  401.670  2018.28  401.670  112.858   11.968  112.858   11.968 -0.000000 0.000000 
1 1 1    0   11   45 o   77.629   22.002  1127.66  451.560  1127.66  451.560  1127.66  451.560   77.629   22.002   77.629   22.002 -0.000000 0.000000 
1 1 1    0   11   46 o  266.818   7.3138 10910.94  594.620 10910.94  594.620 10910.94  594.620  266.818   7.3138  266.818   7.3138 -0.000000 0.000000 
1 1 1    0   11   47 o  327.076   6.6527 16374.27  663.529 16374.27  663.529 16374.27  663.529  327.076   6.6527  327.076   6.6527 -0.000000 0.000000 
1 1 1    0   11   48 o  452.070   7.2249 31278.10  996.336 31278.10  996.336 31278.10  996.336  452.070   7.2249  452.070   7.2249 0.000000 0.000000 
1 1 1    0   11   49 o  225.678   4.0709  7785.62  280.205  7785.62  280.205  7785.62  280.205  225.678   4.0709  225.678   4.0709 -0.000000 0.000000 
1 1 1    0   11   50 o  346.059   8.4276 18367.14  888.969 18367.14  888.969 18367.14  888.969  346.059   8.4276  346.059   8.4276 -0.000000 0.000000 
1 1 1    0   11   51 o  196.691   3.6979  5914.28  221.826  5914.28  221.826  5914.28  221.826  196.691   3.6979  196.691   3.6979 -0.000000 0.000000 
1 1 1    0   11   52 o  342.730   6.4632 17984.66  675.562 17984.66  675.562 17984.66  675.562  342.730   6.4632  342.730   6.4632 0.000000 0.000000 
1 1 1    0   11   53 o   56.151   4.2830  490.014   72.423  490.014   72.423  490.014   72.423   56.151   4.2830   56.151   4.2830 0.000000 0.000000 
1 1 1    0   11   54 o  147.771   3.9552  3342.93  178.104  3342.93  178.104  3342.93  178.104  147.771   3.9552  147.771   3.9552 0.000000 0.000000 
1 1 1    0   11   55 o  249.301   13.155  9678.22  994.616  9678.22  994.616  9678.22  994.616  249.301   13.155  249.301   13.155 -0.000000 0.000000 
1 1 1    0   11   56 o  150.432   4.0637  3465.62  186.279  3465.62  186.279  3465.62  186.279  150.432   4.0637  150.432   4.0637 -0.000000 0.000000 
1 1 1    0   11   57 o   71.680   15.450  898.056  296.577  898.056  296.577  898.056  296.577   71.680   15.450   71.680   15.450 -0.000000 0.000000 
1 1 1    0   11   58 o  106.100   4.8722  1733.06  157.025  1733.06  157.025  1733.06  157.025  106.100   4.8722  106.100   4.8722 0.000000 0.000000 
1 1 1    0   11   59 o  118.495   9.5686  2207.36  340.880  2207.36  340.880  2207.36  340.880  118.495   9.5686  118.495   9.5686 -0.000000 0.000000 
1 1 1    0   11   61 o   54.862   5.6070  475.658   91.643  475.658   91.643  475.658   91.643   54.862   5.6070   54.862   5.6070 -0.000000 0.000000 
1 1 1    0   12    4 o  1030.57   62.000 167727.20 19340.54 167727.20 19340.54 167727.20 19340.54  1030.57   62.000  1030.57   62.000 0.000000 0.000000 
1 1 1    0   12    5 o  860.367   51.569 116037.60 13430.79 116037.60 13430.79 116037.60 13430.79  860.367   51.569  860.367   51.569 0.000000 0.000000 
1 1 1    0   12    6 o  234.949   16.127  8556.17  1143.95  8556.17  1143.95  8556.17  1143.95  234.949   16.127  234.949   16.127 -0.000000 0.000000 
1 1 1    0   12    7 o  505.795   13.851 39176.34  2134.70 39176.34  2134.70 39176.34  2134.70  505.795   13.851  505.795   13.851 0.000000 0.000000 
1 1 1    0   12    8 o  634.677   38.152 62678.27  7329.66 62678.27  7329.66 62678.27  7329.66  634.677   38.152  634.677   38.152 0.000000 0.000000 
1 1 1    0   12    9 o   44.500   15.758  398.010  194.704  398.010  194.704  398.010  194.704   44.500   15.758   44.500   15.758 -0.000000 0.000000 
1 1 1    0   12   10 f  892.623   37.370 123266.20 10140.76 123266.20 10140.76 123266.20 10140.76  892.623   37.370  892.623   37.370 -0.000000 0.000000 
1 1 1    0   12   11 o  795.502   33.148 97725.21  8016.82 97725.21  8016.82 97725.21  8016.82  795.502   33.148  795.502   33.148 -0.000000 0.000000 
1 1 1    0   12   12 o  260.696   7.7617 10403.27  616.365 10403.27  616.365 10403.27  616.365  260.696   7.7617  260.696   7.7617 0.000000 0.000000 
1 1 1    0   12   13 o  469.647   28.672 34207.14  4074.90 34207.14  4074.90 34207.14  4074.90  469.647   28.672  469.647   28.672 -0.000000 0.000000 
1 1 1    0   12   14 o  537.395   32.538 44849.68  5292.31 44849.68  5292.31 44849.68  5292.31  537.395   32.538  537.395   32.538 -0.000000 0.000000 
1 1 1    0   12   15 o   35.488   16.769  282.049  205.525  282.049  205.525  282.049  205.525   35.488   16.769   35.488   16.769 0.000000 0.000000 
1 1 1    0   12   16 o  368.955   23.086 21090.05  2576.44 21090.05  2576.44 21090.05  2576.44  368.955   23.086  368.955   23.086 0.000000 0.000000 
1 1 1    0   12   17 o  774.424   32.254 92643.86  7593.84 92643.86  7593.84 92643.86  7593.84  774.424   32.254  774.424   32.254 0.000000 0.000000 
1 1 1    0   12   18 o  792.524   13.786 96067.97  3332.49 96067.97  3332.49 96067.97  3332.49  792.524   13.786  792.524   13.786 0.000000 0.000000 
1 1 1    0   12   19 o  573.645   15.571 50416.82  2721.76 50416.82  2721.76 50416.82  2721.76  573.645   15.571  573.645   15.571 -0.000000 0.000000 
1 1 1    0   12   20 o  409.328   11.606 25656.51  1447.34 25656.51  1447.34 25656.51  1447.34  409.328   11.606  409.328   11.606 0.000000 0.000000 
1 1 1    0   12   21 o  398.919   16.549 24460.44  2007.07 24460.44  2007.07 24460.44  2007.07  398.919   16.549  398.919   16.549 0.000000 0.000000 
1 1 1    0   12   22 o  176.487   9.5936  4798.82  513.296  4798.82  513.296  4798.82  513.296  176.487   9.5936  176.487   9.5936 0.000000 0.000000 
1 1 1    0   12   23 o  136.222   8.7557  2868.57  360.596  2868.57  360.596  2868.57  360.596  136.222   8.7557  136.222   8.7557 -0.000000 0.000000 
1 1 1    0   12   24 o  434.094   8.4895 28807.84  1123.84 28807.84  1123.84 28807.84  1123.84  434.094   8.4895  434.094   8.4895 -0.000000 0.000000 
1 1 1    0   12   25 o  498.802   13.684 38118.16  2079.76 38118.16  2079.76 38118.16  2079.76  498.802   13.684  498.802   13.684 0.000000 0.000000 
1 1 1    0   12   26 o  405.663   25.177 25551.12  3089.80 25551.12  3089.80 25551.12  3089.80  405.663   25.177  405.663   25.177 0.000000 0.000000 
1 1 1    0   12   27 o  722.677   18.074 80121.43  3981.02 80121.43  3981.02 80121.43  3981.02  722.677   18.074  722.677   18.074 0.000000 0.000000 
1 1 1    0   12   28 o  525.629   9.5843 42251.57  1536.50 42251.57  1536.50 42251.57  1536.50  525.629   9.5843  525.629   9.5843 0.000000 0.000000 
1 1 1    0   12   29 o  594.454   10.584 54061.52  1919.04 54061.52  1919.04 54061.52  1919.04  594.454   10.584  594.454   10.584 0.000000 0.000000 
1 1 1    0   12   30 o   14.607   8.4496   39.889   61.172   39.889   61.172   39.889   61.172   14.607   8.4496   14.607   8.4496 -0.000000 0.000000 
1 1 1    0   12   31 o  503.359   9.8549 38778.94  1512.76 38778.94  1512.76 38778.94  1512.76  503.359   9.8549  503.359   9.8549 -0.000000 0.000000 
1 1 1    0   12   32 o  137.004   3.7998  2871.99  158.620  2871.99  158.620  2871.99  158.620  137.004   3.7998  137.004   3.7998 0.000000 0.000000 
1 1 1    0   12   33 o  304.252   7.6183 14172.20  706.471 14172.20  706.471 14172.20  706.471  304.252   7.6183  304.252   7.6183 -0.000000 0.000000 
1 1 1    0   12   34 o  155.549   3.6597  3699.88  173.536  3699.88  173.536  3699.88  173.536  155.549   3.6597  155.549   3.6597 0.000000 0.000000 
1 1 1    0   12   35 o  203.069   5.4801  6311.93  339.105  6311.93  339.105  6311.93  339.105  203.069   5.4801  203.069   5.4801 0.000000 0.000000 
1 1 1    0   12   36 o  391.956   10.016 23556.38  1196.45 23556.38  1196.45 23556.38  1196.45  391.956   10.016  391.956   10.016 0.000000 0.000000 
1 1 1    0   12   37 o   24.511   8.9438  122.314   61.647  122.314   61.647  122.314   61.647   24.511   8.9438   24.511   8.9438 -0.000000 0.000000 
1 1 1    0   12   38 o   54.866   3.9532  466.734   65.411  466.734   65.411  466.734   65.411   54.866   3.9532   54.866   3.9532 0.000000 0.000000 
1 1 1    0   12   39 o   33.160   5.3556  180.538   49.965  180.538   49.965  180.538   49.965   33.160   5.3556   33.160   5.3556 -0.000000 0.000000 
1 1 1    0   12   40 f  160.459   3.9581  3938.55  193.582  3938.55  193.582  3938.55  193.582  160.459   3.9581  160.459   3.9581 0.000000 0.000000 
1 1 1    0   12   41 o  574.948   24.769 51804.93  4328.30 51804.93  4328.30 51804.93  4328.30  574.948   24.769  574.948   24.769 0.000000 0.000000 
1 1 1    0   12   42 f  126.816   3.1200  2459.66  120.600  2459.66  120.600  2459.66  120.600  126.816   3.1200  126.816   3.1200 0.000000 0.000000 
1 1 1    0   12   43 o  262.409   6.7662 10547.16  541.116 10547.16  541.116 10547.16  541.116  262.409   6.7662  262.409   6.7662 -0.000000 0.000000 
1 1 1    0   12   44 o   18.683   11.289   51.052  118.060   51.052  118.060   51.052  118.060   18.683   11.289   18.683   11.289 0.000000 0.000000 
1 1 1    0   12   45 o  103.396   5.5488  1647.43  173.960  1647.43  173.960  1647.43  173.960  103.396   5.5488  103.396   5.5488 0.000000 0.000000 
1 1 1    0   12   46 o  293.742   8.1127 13231.34  726.101 13231.34  726.101 13231.34  726.101  293.742   8.1127  293.742   8.1127 -0.000000 0.000000 
1 1 1    0   12   47 o  588.304   7.9721 52982.49  1430.91 52982.49  1430.91 52982.49  1430.91  588.304   7.9721  588.304   7.9721 0.000000 0.000000 
1 1 1    0   12   48 o  174.461   3.6263  4653.59  192.911  4653.59  192.911  4653.59  192.911  174.461   3.6263  174.461   3.6263 -0.000000 0.000000 
1 1 1    0   12   49 o   57.173   4.1719  507.151   71.910  507.151   71.910  507.151   71.910   57.173   4.1719   57.173   4.1719 0.000000 0.000000 
1 1 1    0   12   50 o  254.662   5.2332  9922.81  406.384  9922.81  406.384  9922.81  406.384  254.662   5.2332  254.662   5.2332 0.000000 0.000000 
1 1 1    0   12   51 o  207.844   5.8810  6620.29  372.405  6620.29  372.405  6620.29  372.405  207.844   5.8810  207.844   5.8810 -0.000000 0.000000 
1 1 1    0   12   52 o   77.013   3.8968  912.841   91.064  912.841   91.064  912.841   91.064   77.013   3.8968   77.013   3.8968 -0.000000 0.000000 
1 1 1    0   12   53 o   51.230   16.873  517.626  234.243  517.626  234.243  517.626  234.243   51.230   16.873   51.230   16.873 -0.000000 0.000000 
1 1 1    0   12   54 o  406.567   9.5061 25424.57  1178.19 25424.57  1178.19 25424.57  1178.19  406.567   9.5061  406.567   9.5061 0.000000 0.000000 
1 1 1    0   12   55 o  261.177   5.4863 10448.20  436.917 10448.20  436.917 10448.20  436.917  261.177   5.4863  261.177   5.4863 -0.000000 0.000000 
1 1 1    0   12   56 o  235.434   6.9724  8517.51  500.045  8517.51  500.045  8517.51  500.045  235.434   6.9724  235.434   6.9724 0.000000 0.000000 
1 1 1    0   12   57 o   31.125   6.0461  163.955   51.214  163.955   51.214  163.955   51.214   31.125   6.0461   31.125   6.0461 0.000000 0.000000 
1 1 1    0   12   58 o  142.855   5.3313  3137.68  231.724  3137.68  231.724  3137.68  231.724  142.855   5.3313  142.855   5.3313 -0.000000 0.000000 
1 1 1    0   12   59 o   82.374   3.5040  1042.82   87.737  1042.82   87.737  1042.82   87.737   82.374   3.5040   82.374   3.5040 0.000000 0.000000 
1 1 1    0   12   60 o   67.716   6.7823  725.155  136.954  725.155  136.954  725.155  136.954   67.716   6.7823   67.716   6.7823 0.000000 0.000000 
1 1 1    0   13    4 o  1332.41   81.133 284694.59 32715.24 284694.59 32715.24 284694.59 32715.24  1332.41   81.133  1332.41   81.133 0.000000 0.000000 
1 1 1    0   13    5 o  365.241   22.878 20661.50  2527.46 20661.50  2527.46 20661.50  2527.46  365.241   22.878  365.241   22.878 -0.000000 0.000000 
1 1 1    0   13    6 o  740.010   44.355 85466.95  9935.88 85466.95  9935.88 85466.95  9935.88  740.010   44.355  740.010   44.355 -0.000000 0.000000 
1 1 1    0   13    7 o  1325.21   80.701 281622.81 32365.06 281622.81 32365.06 281622.81 32365.06  1325.21   80.701  1325.21   80.701 -0.000000 0.000000 
1 1 1    0   13    8 f  243.411   16.697  9184.48  1227.07  9184.48  1227.07  9184.48  1227.07  243.411   16.697  243.411   16.697 0.000000 0.000000 
1 1 1    0   13    9 o  1246.27   33.387 239206.70 12679.24 239206.70 12679.24 239206.70 12679.24  1246.27   33.387  1246.27   33.387 -0.000000 0.000000 
1 1 1    0   13   11 f  1440.88   88.568 336275.31 38614.14 336275.31 38614.14 336275.31 38614.14  1440.88   88.568  1440.88   88.568 0.000000 0.000000 
1 1 1    0   13   12 o  1187.51   31.820 217105.70 11514.66 217105.70 11514.66 217105.70 11514.66  1187.51   31.820  1187.51   31.820 0.000000 0.000000 
1 1 1    0   13   13 o  1063.77   64.171 179258.70 20661.90 179258.70 20661.90 179258.70 20661.90  1063.77   64.171  1063.77   64.171 0.000000 0.000000 
1 1 1    0   13   14 o  310.645   8.9628 14771.84  848.215 14771.84  848.215 14771.84  848.215  310.645   8.9628  310.645   8.9628 0.000000 0.000000 
1 1 1    0   13   15 o  174.319   9.3821  4680.39  495.880  4680.39  495.880  4680.39  495.880  174.319   9.3821  174.319   9.3821 0.000000 0.000000 
1 1 1    0   13   16 o  106.120   12.178  1787.17  380.992  1787.17  380.992  1787.17  380.992  106.120   12.178  106.120   12.178 0.000000 0.000000 
1 1 1    0   13   17 o  457.776   28.046 32518.44  3884.95 32518.44  3884.95 32518.44  3884.95  457.776   28.046  457.776   28.046 0.000000 0.000000 
1 1 1    0   13   18 o  284.071   18.634 12504.39  1599.71 12504.39  1599.71 12504.39  1599.71  284.071   18.634  284.071   18.634 0.000000 0.000000 
1 1 1    0   13   19 o  375.391   23.472 21844.79  2665.33 21844.79  2665.33 21844.79  2665.33  375.391   23.472  375.391   23.472 -0.000000 0.000000 
1 1 1    0   13   20 o  230.261   11.136  8155.79  778.454  8155.79  778.454  8155.79  778.454  230.261   11.136  230.261   11.136 -0.000000 0.000000 
1 1 1    0   13   21 o  252.514   17.052  9885.62  1300.52  9885.62  1300.52  9885.62  1300.52  252.514   17.052  252.514   17.052 -0.000000 0.000000 
1 1 1    0   13   22 o   30.277   8.0414  166.372   64.207  166.372   64.207  166.372   64.207   30.277   8.0414   30.277   8.0414 0.000000 0.000000 
1 1 1    0   13   23 o  716.726   17.518 78747.09  3827.06 78747.09  3827.06 78747.09  3827.06  716.726   17.518  716.726   17.518 0.000000 0.000000 
1 1 1    0   13   24 o  712.413   17.741 77827.92  3852.32 77827.92  3852.32 77827.92  3852.32  712.413   17.741  712.413   17.741 0.000000 0.000000 
1 1 1    0   13   25 o   42.590   6.1083  293.500   74.666  293.500   74.666  293.500   74.666   42.590   6.1083   42.590   6.1083 0.000000 0.000000 
1 1 1    0   13   26 f  552.197   12.282 46683.34  2067.66 46683.34  2067.66 46683.34  2067.66  552.197   12.282  552.197   12.282 0.000000 0.000000 
1 1 1    0   13   27 o  575.245   14.477 50733.18  2538.12 50733.18  2538.12 50733.18  2538.12  575.245   14.477  575.245   14.477 0.000000 0.000000 
1 1 1    0   13   28 o  391.601   11.003 23500.57  1312.77 23500.57  1312.77 23500.57  1312.77  391.601   11.003  391.601   11.003 -0.000000 0.000000 
1 1 1    0   13   29 o  330.741   15.019 16860.88  1509.05 16860.88  1509.05 16860.88  1509.05  330.741   15.019  330.741   15.019 0.000000 0.000000 
1 1 1    0   13   30 o   70.084   5.0455  761.545  106.645  761.545  106.645  761.545  106.645   70.084   5.0455   70.084   5.0455 -0.000000 0.000000 
1 1 1    0   13   31 o  133.007   7.1704  2726.26  289.163  2726.26  289.163  2726.26  289.163  133.007   7.1704  133.007   7.1704 -0.000000 0.000000 
1 1 1    0   13   32 o   84.744   4.1773  1104.40  107.451  1104.40  107.451  1104.40  107.451   84.744   4.1773   84.744   4.1773 -0.000000 0.000000 
1 1 1    0   13   33 o  198.995   14.622  6172.43  877.093  6172.43  877.093  6172.43  877.093  198.995   14.622  198.995   14.622 -0.000000 0.000000 
1 1 1    0   13   34 o  476.669   13.159 34914.50  1911.27 34914.50  1911.27 34914.50  1911.27  476.669   13.159  476.669   13.159 -0.000000 0.000000 
1 1 1    0   13   35 o  200.658   14.703  6279.63  889.365  6279.63  889.365  6279.63  889.365  200.658   14.703  200.658   14.703 0.000000 0.000000 
1 1 1    0   13   36 o  494.555   9.3573 37463.40  1411.35 37463.40  1411.35 37463.40  1411.35  494.555   9.3573  494.555   9.3573 0.000000 0.000000 
1 1 1    0   13   37 o  184.329   5.2860  5202.57  296.845  5202.57  296.845  5202.57  296.845  184.329   5.2860  184.329   5.2860 0.000000 0.000000 
1 1 1    0   13   38 o  162.969   3.6785  4061.18  182.766  4061.18  182.766  4061.18  182.766  162.969   3.6785  162.969   3.6785 0.000000 0.000000 
1 1 1    0   13   39 f  272.024   6.9023 11332.86  572.252 11332.86  572.252 11332.86  572.252  272.024   6.9023  272.024   6.9023 0.000000 0.000000 
1 1 1    0   13   40 o  355.565   6.6845 19344.87  724.865 19344.87  724.865 19344.87  724.865  355.565   6.6845  355.565   6.6845 -0.000000 0.000000 
1 1 1    0   13   41 o   57.908   4.8434  522.838   84.228  522.838   84.228  522.838   84.228   57.908   4.8434   57.908   4.8434 -0.000000 0.000000 
1 1 1    0   13   42 o  248.805   5.1747  9468.78  392.587  9468.78  392.587  9468.78  392.587  248.805   5.1747  248.805   5.1747 0.000000 0.000000 
1 1 1    0   13   43 o   28.461   16.384  156.907  228.261  156.907  228.261  156.907  228.261   28.461   16.384   28.461   16.384 -0.000000 0.000000 
1 1 1    0   13   44 o  104.704   3.8250  1680.68  121.869  1680.68  121.869  1680.68  121.869  104.704   3.8250  104.704   3.8250 0.000000 0.000000 
1 1 1    0   13   45 o  203.236   6.7232  6335.19  416.023  6335.19  416.023  6335.19  416.023  203.236   6.7232  203.236   6.7232 0.000000 0.000000 
1 1 1    0   13   46 o   80.432   4.4689  997.194  108.936  997.194  108.936  997.194  108.936   80.432   4.4689   80.432   4.4689 -0.000000 0.000000 
1 1 1    0   13   47 o   22.488   8.7668  105.926   57.427  105.926   57.427  105.926   57.427   22.488   8.7668   22.488   8.7668 -0.000000 0.000000 
1 1 1    0   13   48 o  325.682   6.6132 16239.01  656.778 16239.01  656.778 16239.01  656.778  325.682   6.6132  325.682   6.6132 0.000000 0.000000 
1 1 1    0   13   49 o  705.211   10.443 76343.30  2246.62 76343.30  2246.62 76343.30  2246.62  705.211   10.443  705.211   10.443 0.000000 0.000000 
1 1 1    0   13   50 o  184.305   4.0129  5195.66  225.502  5195.66  225.502  5195.66  225.502  184.305   4.0129  184.305   4.0129 -0.000000 0.000000 
1 1 1    0   13   51 o  182.251   5.3727  5090.48  298.280  5090.48  298.280  5090.48  298.280  182.251   5.3727  182.251   5.3727 -0.000000 0.000000 
1 1 1    0   13   52 o  179.118   4.2057  4909.71  229.642  4909.71  229.642  4909.71  229.642  179.118   4.2057  179.118   4.2057 0.000000 0.000000 
1 1 1    0   13   53 o  112.252   3.2159  1929.07  109.979  1929.07  109.979  1929.07  109.979  112.252   3.2159  112.252   3.2159 -0.000000 0.000000 
1 1 1    0   13   54 o   77.577   5.6679  935.282  132.560  935.282  132.560  935.282  132.560   77.577   5.6679   77.577   5.6679 0.000000 0.000000 
1 1 1    0   13   55 o   15.611   9.6236   28.662   89.630   28.662   89.630   28.662   89.630   15.611   9.6236   15.611   9.6236 -0.000000 0.000000 
1 1 1    0   13   56 o   23.893   10.784  127.392   84.454  127.392   84.454  127.392   84.454   23.893   10.784   23.893   10.784 -0.000000 0.000000 
1 1 1    0   13   57 f   24.322   15.278   53.556  236.988   53.556  236.988   53.556  236.988   24.322   15.278   24.322   15.278 -0.000000 0.000000 
1 1 1    0   13   58 o  178.148   5.5660  4876.88  301.983  4876.88  301.983  4876.88  301.983  178.148   5.5660  178.148   5.5660 -0.000000 0.000000 
1 1 1    0   13   59 o  396.978   14.146 24833.24  1709.08 24833.24  1709.08 24833.24  1709.08  396.978   14.146  396.978   14.146 0.000000 0.000000 
1 1 1    0   14    4 o  1403.29   86.040 318090.50 36534.89 318090.50 36534.89 318090.50 36534.89  1403.29   86.040  1403.29   86.040 -0.000000 0.000000 
1 1 1    0   14    5 o  1022.59   61.558 165196.30 19054.02 165196.30 19054.02 165196.30 19054.02  1022.59   61.558  1022.59   61.558 0.000000 0.000000 
1 1 1    0   14    6 o  734.026   44.040 84142.21  9785.50 84142.21  9785.50 84142.21  9785.50  734.026   44.040  734.026   44.040 0.000000 0.000000 
1 1 1    0   14    7 o  534.518   32.395 44379.49  5240.74 44379.49  5240.74 44379.49  5240.74  534.518   32.395  534.518   32.395 -0.000000 0.000000 
1 1 1    0   14    8 o   94.852   13.158  1451.64  360.001  1451.64  360.001  1451.64  360.001   94.852   13.158   94.852   13.158 -0.000000 0.000000 
1 1 1    0   14    9 o   22.566   13.681   71.428  174.507   71.428  174.507   71.428  174.507   22.566   13.681   22.566   13.681 -0.000000 0.000000 
1 1 1    0   14   10 o  333.428   9.5094 17018.32  965.993 17018.32  965.993 17018.32  965.993  333.428   9.5094  333.428   9.5094 0.000000 0.000000 
1 1 1    0   14   11 o  475.733   29.041 35122.71  4180.87 35122.71  4180.87 35122.71  4180.87  475.733   29.041  475.733   29.041 0.000000 0.000000 
1 1 1    0   14   12 o  393.794   10.163 23730.49  1219.69 23730.49  1219.69 23730.49  1219.69  393.794   10.163  393.794   10.163 -0.000000 0.000000 
1 1 1    0   14   13 o  398.166   24.728 24577.21  2978.60 24577.21  2978.60 24577.21  2978.60  398.166   24.728  398.166   24.728 0.000000 0.000000 
1 1 1    0   14   15 o  623.029   37.560 60490.20  7083.06 60490.20  7083.06 60490.20  7083.06  623.029   37.560  623.029   37.560 -0.000000 0.000000 
1 1 1    0   14   16 o  558.899   33.840 48597.88  5724.23 48597.88  5724.23 48597.88  5724.23  558.899   33.840  558.899   33.840 0.000000 0.000000 
1 1 1    0   14   17 o  378.243   16.515 22003.80  1898.36 22003.80  1898.36 22003.80  1898.36  378.243   16.515  378.243   16.515 -0.000000 0.000000 
1 1 1    0   14   18 o  573.690   34.715 51246.82  6027.73 51246.82  6027.73 51246.82  6027.73  573.690   34.715  573.690   34.715 0.000000 0.000000 
1 1 1    0   14   19 o  417.229   25.820 27012.59  3259.22 27012.59  3259.22 27012.59  3259.22  417.229   25.820  417.229   25.820 -0.000000 0.000000 
1 1 1    0   14   20 f  224.732   6.1596  7727.38  421.790  7727.38  421.790  7727.38  421.790  224.732   6.1596  224.732   6.1596 -0.000000 0.000000 
1 1 1    0   14   21 o  781.753   32.478 94627.05  7719.04 94627.05  7719.04 94627.05  7719.04  781.753   32.478  781.753   32.478 0.000000 0.000000 
1 1 1    0   14   22 o  227.319   6.2464  7906.83  432.654  7906.83  432.654  7906.83  432.654  227.319   6.2464  227.319   6.2464 0.000000 0.000000 
1 1 1    0   14   23 o  659.936   15.535 66741.23  3125.31 66741.23  3125.31 66741.23  3125.31  659.936   15.535  659.936   15.535 -0.000000 0.000000 
1 1 1    0   14   24 o  145.599   3.6861  3241.94  163.573  3241.94  163.573  3241.94  163.573  145.599   3.6861  145.599   3.6861 0.000000 0.000000 
1 1 1    0   14   25 o  211.237   4.7161  6821.83  303.723  6821.83  303.723  6821.83  303.723  211.237   4.7161  211.237   4.7161 -0.000000 0.000000 
1 1 1    0   14   26 o  217.325   6.3213  7230.36  418.508  7230.36  418.508  7230.36  418.508  217.325   6.3213  217.325   6.3213 0.000000 0.000000 
1 1 1    0   14   27 o  761.614   18.573 89192.13  4311.70 89192.13  4311.70 89192.13  4311.70  761.614   18.573  761.614   18.573 0.000000 0.000000 
1 1 1    0   14   28 o  431.026   8.4558 28423.57  1111.46 28423.57  1111.46 28423.57  1111.46  431.026   8.4558  431.026   8.4558 -0.000000 0.000000 
1 1 1    0   14   29 o  505.678   11.746 39200.79  1810.73 39200.79  1810.73 39200.79  1810.73  505.678   11.746  505.678   11.746 -0.000000 0.000000 
1 1 1    0   14   30 o   83.481   3.1336  1068.28   79.589  1068.28   79.589  1068.28   79.589   83.481   3.1336   83.481   3.1336 0.000000 0.000000 
1 1 1    0   14   31 o  150.442   12.744  3541.24  575.510  3541.24  575.510  3541.24  575.510  150.442   12.744  150.442   12.744 -0.000000 0.000000 
1 1 1    0   14   32 o  214.296   6.7260  7037.28  438.950  7037.28  438.950  7037.28  438.950  214.296   6.7260  214.296   6.7260 -0.000000 0.000000 
1 1 1    0   14   33 o   44.162   17.077  408.400  218.610  408.400  218.610  408.400  218.610   44.162   17.077   44.162   17.077 -0.000000 0.000000 
1 1 1    0   14   34 o   59.330   3.4250  542.732   61.550  542.732   61.550  542.732   61.550   59.330   3.4250   59.330   3.4250 0.000000 0.000000 
1 1 1    0   14   35 o   29.638   15.280  197.212  177.046  197.212  177.046  197.212  177.046   29.638   15.280   29.638   15.280 0.000000 0.000000 
1 1 1    0   14   36 o  141.045   4.6737  3048.11  200.704  3048.11  200.704  3048.11  200.704  141.045   4.6737  141.045   4.6737 0.000000 0.000000 
1 1 1    0   14   37 o  400.138   9.7797 24556.01  1192.80 24556.01  1192.80 24556.01  1192.80  400.138   9.7797  400.138   9.7797 -0.000000 0.000000 
1 1 1    0   14   38 o   43.431   5.7852  303.135   72.882  303.135   72.882  303.135   72.882   43.431   5.7852   43.431   5.7852 0.000000 0.000000 
1 1 1    0   14   39 o  501.279   9.6335 38517.04  1472.72 38517.04  1472.72 38517.04  1472.72  501.279   9.6335  501.279   9.6335 -0.000000 0.000000 
1 1 1    0   14   40 o  111.076   3.6088  1889.73  122.056  1889.73  122.056  1889.73  122.056  111.076   3.6088  111.076   3.6088 0.000000 0.000000 
1 1 1    0   14   41 f  344.591   8.9966 18212.43  944.775 18212.43  944.775 18212.43  944.775  344.591   8.9966  344.591   8.9966 0.000000 0.000000 
1 1 1    0   14   42 o  192.176   4.4844  5649.56  262.716  5649.56  262.716  5649.56  262.716  192.176   4.4844  192.176   4.4844 -0.000000 0.000000 
1 1 1    0   14   43 o  334.975   8.2555 17199.40  842.904 17199.40  842.904 17199.40  842.904  334.975   8.2555  334.975   8.2555 -0.000000 0.000000 
1 1 1    0   14   44 o  369.094   8.7457 20886.93  984.008 20886.93  984.008 20886.93  984.008  369.094   8.7457  369.094   8.7457 -0.000000 0.000000 
1 1 1    0   14   45 o  405.395   6.5095 25143.26  804.995 25143.26  804.995 25143.26  804.995  405.395   6.5095  405.395   6.5095 0.000000 0.000000 
1 1 1    0   14   46 o  319.932   8.4852 15701.34  827.263 15701.34  827.263 15701.34  827.263  319.932   8.4852  319.932   8.4852 -0.000000 0.000000 
1 1 1    0   14   47 o   82.126   5.9551  1047.07  147.472  1047.07  147.472  1047.07  147.472   82.126   5.9551   82.126   5.9551 0.000000 0.000000 
1 1 1    0   14   48 o   58.663   6.1487  543.204  107.326  543.204  107.326  543.204  107.326   58.663   6.1487   58.663   6.1487 0.000000 0.000000 
1 1 1    0   14   49 o   86.222   5.3765  1149.42  140.232  1149.42  140.232  1149.42  140.232   86.222   5.3765   86.222   5.3765 -0.000000 0.000000 
1 1 1    0   14   50 o  176.020   4.3069  4741.77  231.077  4741.77  231.077  4741.77  231.077  176.020   4.3069  176.020   4.3069 -0.000000 0.000000 
1 1 1    0   14   51 o   47.397   4.1005  350.815   58.299  350.815   58.299  350.815   58.299   47.397   4.1005   47.397   4.1005 -0.000000 0.000000 
1 1 1    0   14   52 o   86.156   3.5740  1139.64   93.618  1139.64   93.618  1139.64   93.618   86.156   3.5740   86.156   3.5740 -0.000000 0.000000 
1 1 1    0   14   53 o   70.544   5.7166  776.160  121.228  776.160  121.228  776.160  121.228   70.544   5.7166   70.544   5.7166 0.000000 0.000000 
1 1 1    0   14   54 f   79.266   7.3717  987.848  174.803  987.848  174.803  987.848  174.803   79.266   7.3717   79.266   7.3717 0.000000 0.000000 
1 1 1    0   14   55 o  219.469   6.4154  7399.35  428.918  7399.35  428.918  7399.35  428.918  219.469   6.4154  219.469   6.4154 -0.000000 0.000000 
1 1 1    0   14   56 o   25.485   15.454   99.629  222.798   99.629  222.798   99.629  222.798   25.485   15.454   25.485   15.454 -0.000000 0.000000 
1 1 1    0   14   57 o   56.482   5.0113  499.765   84.827  499.765   84.827  499.765   84.827   56.482   5.0113   56.482   5.0113 0.000000 0.000000 
1 1 1    0   14   58 o   53.500   6.9657  461.302  108.418  461.302  108.418  461.302  108.418   53.500   6.9657   53.500   6.9657 -0.000000 0.000000 
1 1 1    0   14   59 o   60.818   3.4987  571.151   64.456  571.151   64.456  571.151   64.456   60.818   3.4987   60.818   3.4987 -0.000000 0.000000 
1 1 1    0   15    3 o  512.132   31.118 40733.11  4823.04 40733.11  4823.04 40733.11  4823.04  512.132   31.118  512.132   31.118 -0.000000 0.000000 
1 1 1    0   15    4 o  346.060   21.953 18556.43  2297.44 18556.43  2297.44 18556.43  2297.44  346.060   21.953  346.060   21.953 0.000000 0.000000 
1 1 1    0   15    5 o  725.278   43.562 82194.29  9563.75 82194.29  9563.75 82194.29  9563.75  725.278   43.562  725.278   43.562 0.000000 0.000000 
1 1 1    0   15    6 o  432.382   26.628 28995.09  3483.64 28995.09  3483.64 28995.09  3483.64  432.382   26.628  432.382   26.628 -0.000000 0.000000 
1 1 1    0   15    7 o  419.949   25.940 27347.58  3295.86 27347.58  3295.86 27347.58  3295.86  419.949   25.940  419.949   25.940 -0.000000 0.000000 
1 1 1    0   15    8 o  223.646   15.785  7760.11  1065.20  7760.11  1065.20  7760.11  1065.20  223.646   15.785  223.646   15.785 0.000000 0.000000 
1 1 1    0   15   14 o  512.193   31.161 40777.13  4830.14 40777.13  4830.14 40777.13  4830.14  512.193   31.161  512.193   31.161 0.000000 0.000000 
1 1 1    0   15   15 o   76.936   15.015  1001.25  314.138  1001.25  314.138  1001.25  314.138   76.936   15.015   76.936   15.015 -0.000000 0.000000 
1 1 1    0   15   16 o  330.636   8.6788 16728.28  874.484 16728.28  874.484 16728.28  874.484  330.636   8.6788  330.636   8.6788 0.000000 0.000000 
1 1 1    0   15   17 o  279.116   12.902 11982.10  1093.83 11982.10  1093.83 11982.10  1093.83  279.116   12.902  279.116   12.902 -0.000000 0.000000 
1 1 1    0   15   18 o  271.444   18.054 11425.28  1480.57 11425.28  1480.57 11425.28  1480.57  271.444   18.054  271.444   18.054 -0.000000 0.000000 
1 1 1    0   15   19 o  458.908   28.182 32738.09  3913.37 32738.09  3913.37 32738.09  3913.37  458.908   28.182  458.908   28.182 0.000000 0.000000 
1 1 1    0   15   20 o  321.233   7.8631 15786.17  769.912 15786.17  769.912 15786.17  769.912  321.233   7.8631  321.233   7.8631 0.000000 0.000000 
1 1 1    0   15   21 o   71.303   15.942  884.285  302.997  884.285  302.997  884.285  302.997   71.303   15.942   71.303   15.942 0.000000 0.000000 
1 1 1    0   15   22 o  310.490   7.8419 14751.39  742.092 14751.39  742.092 14751.39  742.092  310.490   7.8419  310.490   7.8419 0.000000 0.000000 
1 1 1    0   15   23 o  154.012   4.7379  3631.27  222.242  3631.27  222.242  3631.27  222.242  154.012   4.7379  154.012   4.7379 0.000000 0.000000 
1 1 1    0   15   24 o   32.362   16.675  234.427  210.765  234.427  210.765  234.427  210.765   32.362   16.675   32.362   16.675 -0.000000 0.000000 
1 1 1    0   15   25 o  201.960   6.6257  6249.39  407.431  6249.39  407.431  6249.39  407.431  201.960   6.6257  201.960   6.6257 0.000000 0.000000 
1 1 1    0   15   26 o   66.820   24.026  908.388  448.484  908.388  448.484  908.388  448.484   66.820   24.026   66.820   24.026 -0.000000 0.000000 
1 1 1    0   15   27 o  144.488   4.5256  3196.75  199.141  3196.75  199.141  3196.75  199.141  144.488   4.5256  144.488   4.5256 0.000000 0.000000 
1 1 1    0   15   28 o   64.638   3.5384  643.517   69.330  643.517   69.330  643.517   69.330   64.638   3.5384   64.638   3.5384 -0.000000 0.000000 
1 1 1    0   15   29 o  155.975   12.941  3803.66  606.316  3803.66  606.316  3803.66  606.316  155.975   12.941  155.975   12.941 0.000000 0.000000 
1 1 1    0   15   31 o  127.468   12.169  2556.39  463.548  2556.39  463.548  2556.39  463.548  127.468   12.169  127.468   12.169 -0.000000 0.000000 
1 1 1    0   15   32 o   16.729   8.5494   62.629   55.147   62.629   55.147   62.629   55.147   16.729   8.5494   16.729   8.5494 0.000000 0.000000 
1 1 1    0   15   33 o  128.805   4.8705  2544.56  190.857  2544.56  190.857  2544.56  190.857  128.805   4.8705  128.805   4.8705 -0.000000 0.000000 
1 1 1    0   15   34 o  111.115   4.2368  1893.47  143.214  1893.47  143.214  1893.47  143.214  111.115   4.2368  111.115   4.2368 -0.000000 0.000000 
1 1 1    0   15   35 o  288.129   10.691 12768.80  937.285 12768.80  937.285 12768.80  937.285  288.129   10.691  288.129   10.691 0.000000 0.000000 
1 1 1    0   15   36 o  270.529   5.6397 11195.59  465.226 11195.59  465.226 11195.59  465.226  270.529   5.6397  270.529   5.6397 -0.000000 0.000000 
1 1 1    0   15   37 o  142.999   4.6684  3133.04  203.268  3133.04  203.268  3133.04  203.268  142.999   4.6684  142.999   4.6684 -0.000000 0.000000 
1 1 1    0   15   38 o   97.876   3.2458  1467.34   96.724  1467.34   96.724  1467.34   96.724   97.876   3.2458   97.876   3.2458 -0.000000 0.000000 
1 1 1    0   15   39 o   45.215   4.8790  323.008   65.348  323.008   65.348  323.008   65.348   45.215   4.8790   45.215   4.8790 -0.000000 0.000000 
1 1 1    0   15   40 o  171.476   5.8181  4508.46  303.715  4508.46  303.715  4508.46  303.715  171.476   5.8181  171.476   5.8181 -0.000000 0.000000 
1 1 1    0   15   41 o  103.223   3.3628  1631.92  105.693  1631.92  105.693  1631.92  105.693  103.223   3.3628  103.223   3.3628 0.000000 0.000000 
1 1 1    0   15   42 o   82.615   4.6485  1052.30  116.367  1052.30  116.367  1052.30  116.367   82.615   4.6485   82.615   4.6485 -0.000000 0.000000 
1 1 1    0   15   43 o  105.772   9.6701  1755.84  306.191  1755.84  306.191  1755.84  306.191  105.772   9.6701  105.772   9.6701 0.000000 0.000000 
1 1 1    0   15   44 o  279.914   7.5581 12011.40  644.670 12011.40  644.670 12011.40  644.670  279.914   7.5581  279.914   7.5581 0.000000 0.000000 
1 1 1    0   15   45 o   14.390   7.5788   45.759   44.246   45.759   44.246   45.759   44.246   14.390   7.5788   14.390   7.5788 0.000000 0.000000 
1 1 1    0   15   46 o  220.820   5.8211  7468.51  391.720  7468.51  391.720  7468.51  391.720  220.820   5.8211  220.820   5.8211 -0.000000 0.000000 
1 1 1    0   15   47 o  301.139   20.614 14314.06  1874.38 14314.06  1874.38 14314.06  1874.38  301.139   20.614  301.139   20.614 -0.000000 0.000000 
1 1 1    0   15   49 o  377.582   7.4647 21852.06  859.526 21852.06  859.526 21852.06  859.526  377.582   7.4647  377.582   7.4647 0.000000 0.000000 
1 1 1    0   15   50 o   48.686   8.3263  393.283  112.863  393.283  112.863  393.283  112.863   48.686   8.3263   48.686   8.3263 -0.000000 0.000000 
1 1 1    0   15   51 o   60.842   23.166  784.526  404.859  784.526  404.859  784.526  404.859   60.842   23.166   60.842   23.166 0.000000 0.000000 
1 1 1    0   15   52 o   42.615   8.1727  306.987   94.991  306.987   94.991  306.987   94.991   42.615   8.1727   42.615   8.1727 -0.000000 0.000000 
1 1 1    0   15   53 o   30.592   11.044  190.673   94.538  190.673   94.538  190.673   94.538   30.592   11.044   30.592   11.044 0.000000 0.000000 
1 1 1    0   15   54 o   53.565   4.0128  445.877   64.759  445.877   64.759  445.877   64.759   53.565   4.0128   53.565   4.0128 0.000000 0.000000 
1 1 1    0   15   55 o   17.188   7.9973   66.259   46.597   66.259   46.597   66.259   46.597   17.188   7.9973   17.188   7.9973 0.000000 0.000000 
1 1 1    0   15   56 o   22.286   7.7855   99.660   47.924   99.660   47.924   99.660   47.924   22.286   7.7855   22.286   7.7855 -0.000000 0.000000 
1 1 1    0   15   57 o   86.306   6.3373  1161.39  164.872  1161.39  164.872  1161.39  164.872   86.306   6.3373   86.306   6.3373 -0.000000 0.000000 
1 1 1    0   15   58 o   93.496   7.2618  1368.79  204.356  1368.79  204.356  1368.79  204.356   93.496   7.2618   93.496   7.2618 0.000000 0.000000 
1 1 1    0   16    3 o  433.904   26.770 29210.59  3514.41 29210.59  3514.41 29210.59  3514.41  433.904   26.770  433.904   26.770 0.000000 0.000000 
1 1 1    0   16   10 o  695.307   18.780 74147.73  3979.09 74147.73  3979.09 74147.73  3979.09  695.307   18.780  695.307   18.780 0.000000 0.000000 
1 1 1    0   16   11 o   17.376   11.989 -165.9430  212.898 -165.9430  212.898 -165.9430  212.898   17.376   11.989   17.376   11.989 0.000000 0.000000 
1 1 1    0   16   12 o  680.389   40.998 72383.43  8443.20 72383.43  8443.20 72383.43  8443.20  680.389   40.998  680.389   40.998 0.000000 0.000000 
1 1 1    0   16   13 o  118.595   12.538  2220.31  442.250  2220.31  442.250  2220.31  442.250  118.595   12.538  118.595   12.538 -0.000000 0.000000 
1 1 1    0   16   14 o  146.680   12.918  3363.89  568.023  3363.89  568.023  3363.89  568.023  146.680   12.918  146.680   12.918 -0.000000 0.000000 
1 1 1    0   16   15 o  1026.78   25.252 162126.41  7902.95 162126.41  7902.95 162126.41  7902.95  1026.78   25.252  1026.78   25.252 0.000000 0.000000 
1 1 1    0   16   16 o  189.656   6.2070  5509.01  358.434  5509.01  358.434  5509.01  358.434  189.656   6.2070  189.656   6.2070 0.000000 0.000000 
1 1 1    0   16   17 o  399.998   24.890 24852.39  3011.85 24852.39  3011.85 24852.39  3011.85  399.998   24.890  399.998   24.890 0.000000 0.000000 
1 1 1    0   16   18 o  283.842   18.792 12503.18  1611.68 12503.18  1611.68 12503.18  1611.68  283.842   18.792  283.842   18.792 0.000000 0.000000 
1 1 1    0   16   19 o  207.276   15.168  6679.06  947.820  6679.06  947.820  6679.06  947.820  207.276   15.168  207.276   15.168 0.000000 0.000000 
1 1 1    0   16   20 o  358.706   8.9167 19693.51  974.882 19693.51  974.882 19693.51  974.882  358.706   8.9167  358.706   8.9167 0.000000 0.000000 
1 1 1    0   16   22 o  463.952   28.634 33654.02  4019.48 33654.02  4019.48 33654.02  4019.48  463.952   28.634  463.952   28.634 0.000000 0.000000 
1 1 1    0   16   23 o   42.805   8.2373  309.027   96.111  309.027   96.111  309.027   96.111   42.805   8.2373   42.805   8.2373 0.000000 0.000000 
1 1 1    0   16   24 o  422.188   10.824 27318.51  1392.71 27318.51  1392.71 27318.51  1392.71  422.188   10.824  422.188   10.824 0.000000 0.000000 
1 1 1    0   16   25 o  160.001   7.5408  3937.61  366.397  3937.61  366.397  3937.61  366.397  160.001   7.5408  160.001   7.5408 -0.000000 0.000000 
1 1 1    0   16   26 o  227.399   5.9768  7914.46  414.186  7914.46  414.186  7914.46  414.186  227.399   5.9768  227.399   5.9768 0.000000 0.000000 
1 1 1    0   16   27 o   83.946   10.221  1124.98  251.520  1124.98  251.520  1124.98  251.520   83.946   10.221   83.946   10.221 0.000000 0.000000 
1 1 1    0   16   28 o   64.617   4.5304  646.893   88.342  646.893   88.342  646.893   88.342   64.617   4.5304   64.617   4.5304 0.000000 0.000000 
1 1 1    0   16   29 o  314.033   20.338 15404.52  1930.67 15404.52  1930.67 15404.52  1930.67  314.033   20.338  314.033   20.338 0.000000 0.000000 
1 1 1    0   16   30 o   31.231   14.561  218.647  154.512  218.647  154.512  218.647  154.512   31.231   14.561   31.231   14.561 0.000000 0.000000 
1 1 1    0   16   31 o  325.815   7.9390 16259.65  788.448 16259.65  788.448 16259.65  788.448  325.815   7.9390  325.815   7.9390 -0.000000 0.000000 
1 1 1    0   16   32 o   23.389   14.232   75.208  190.402   75.208  190.402   75.208  190.402   23.389   14.232   23.389   14.232 0.000000 0.000000 
1 1 1    0   16   33 o   32.144   9.0948  191.428   77.278  191.428   77.278  191.428   77.278   32.144   9.0948   32.144   9.0948 -0.000000 0.000000 
1 1 1    0   16   34 f   59.343   4.5920  547.399   82.028  547.399   82.028  547.399   82.028   59.343   4.5920   59.343   4.5920 0.000000 0.000000 
1 1 1    0   16   35 o   28.980   8.7044  158.711   67.099  158.711   67.099  158.711   67.099   28.980   8.7044   28.980   8.7044 0.000000 0.000000 
1 1 1    0   16   36 o  152.092   4.9876  3544.70  230.972  3544.70  230.972  3544.70  230.972  152.092   4.9876  152.092   4.9876 0.000000 0.000000 
1 1 1    0   16   37 o  194.073   4.4494  5761.20  263.249  5761.20  263.249  5761.20  263.249  194.073   4.4494  194.073   4.4494 0.000000 0.000000 
1 1 1    0   16   38 f  207.812   4.7365  6606.37  300.077  6606.37  300.077  6606.37  300.077  207.812   4.7365  207.812   4.7365 -0.000000 0.000000 
1 1 1    0   16   39 f   53.170   6.4368  450.678  100.390  450.678  100.390  450.678  100.390   53.170   6.4368   53.170   6.4368 0.000000 0.000000 
1 1 1    0   16   40 o  272.479   5.3529 11355.92  444.797 11355.92  444.797 11355.92  444.797  272.479   5.3529  272.479   5.3529 -0.000000 0.000000 
1 1 1    0   16   41 o  229.138   11.400  8111.69  792.771  8111.69  792.771  8111.69  792.771  229.138   11.400  229.138   11.400 -0.000000 0.000000 
1 1 1    0   16   42 o   88.256   10.694  1245.13  276.815  1245.13  276.815  1245.13  276.815   88.256   10.694   88.256   10.694 0.000000 0.000000 
1 1 1    0   16   43 o   80.760   4.4715  1005.29  109.449  1005.29  109.449  1005.29  109.449   80.760   4.4715   80.760   4.4715 0.000000 0.000000 
1 1 1    0   16   44 o  204.542   5.3906  6406.25  336.013  6406.25  336.013  6406.25  336.013  204.542   5.3906  204.542   5.3906 -0.000000 0.000000 
1 1 1    0   16   45 o  212.916   5.3343  6940.54  346.168  6940.54  346.168  6940.54  346.168  212.916   5.3343  212.916   5.3343 -0.000000 0.000000 
1 1 1    0   16   46 o  216.669   6.0026  7193.69  396.276  7193.69  396.276  7193.69  396.276  216.669   6.0026  216.669   6.0026 0.000000 0.000000 
1 1 1    0   16   47 o   10.936   6.9590   4.7310   50.987   4.7310   50.987   4.7310   50.987   10.936   6.9590   10.936   6.9590 -0.000000 0.000000 
1 1 1    0   16   48 o   67.250   5.3986  704.593  109.170  704.593  109.170  704.593  109.170   67.250   5.3986   67.250   5.3986 -0.000000 0.000000 
1 1 1    0   16   49 o  220.101   17.303  7666.38  1145.89  7666.38  1145.89  7666.38  1145.89  220.101   17.303  220.101   17.303 0.000000 0.000000 
1 1 1    0   16   52 o   95.018   3.5438  1385.11  102.453  1385.11  102.453  1385.11  102.453   95.018   3.5438   95.018   3.5438 -0.000000 0.000000 
1 1 1    0   16   54 o   95.026   5.4638  1396.34  157.274  1396.34  157.274  1396.34  157.274   95.026   5.4638   95.026   5.4638 -0.000000 0.000000 
1 1 1    0   16   55 o   53.461   8.1398  468.698  123.689  468.698  123.689  468.698  123.689   53.461   8.1398   53.461   8.1398 -0.000000 0.000000 
1 1 1    0   16   56 o   40.791   16.780  365.647  206.687  365.647  206.687  365.647  206.687   40.791   16.780   40.791   16.780 0.000000 0.000000 
1 1 1    0   16   57 o  208.516   6.3684  6696.17  404.453  6696.17  404.453  6696.17  404.453  208.516   6.3684  208.516   6.3684 -0.000000 0.000000 
1 1 1    0   17    5 o  363.587   22.923 20501.33  2520.67 20501.33  2520.67 20501.33  2520.67  363.587   22.923  363.587   22.923 -0.000000 0.000000 
1 1 1    0   17    6 o   66.370   18.503  812.364  324.288  812.364  324.288  812.364  324.288   66.370   18.503   66.370   18.503 0.000000 0.000000 
1 1 1    0   17    7 o  265.934   17.852 10967.02  1434.04 10967.02  1434.04 10967.02  1434.04  265.934   17.852  265.934   17.852 0.000000 0.000000 
1 1 1    0   17    8 o  168.351   13.882  4420.00  702.153  4420.00  702.153  4420.00  702.153  168.351   13.882  168.351   13.882 -0.000000 0.000000 
1 1 1    0   17    9 o  123.785   12.852  2416.48  473.600  2416.48  473.600  2416.48  473.600  123.785   12.852  123.785   12.852 -0.000000 0.000000 
1 1 1    0   17   10 o   36.978   18.016  307.726  239.310  307.726  239.310  307.726  239.310   36.978   18.016   36.978   18.016 0.000000 0.000000 
1 1 1    0   17   11 o  357.391   10.111 19558.57  1100.90 19558.57  1100.90 19558.57  1100.90  357.391   10.111  357.391   10.111 0.000000 0.000000 
1 1 1    0   17   12 o  488.415   29.863 37128.70  4413.67 37128.70  4413.67 37128.70  4413.67  488.415   29.863  488.415   29.863 -0.000000 0.000000 
1 1 1    0   17   13 o  518.240   31.595 41859.48  4955.06 41859.48  4955.06 41859.48  4955.06  518.240   31.595  518.240   31.595 0.000000 0.000000 
1 1 1    0   17   14 o  179.670   5.9990  4944.87  328.150  4944.87  328.150  4944.87  328.150  179.670   5.9990  179.670   5.9990 -0.000000 0.000000 
1 1 1    0   17   15 o  233.508   16.204  8465.91  1142.11  8465.91  1142.11  8465.91  1142.11  233.508   16.204  233.508   16.204 -0.000000 0.000000 
1 1 1    0   17   16 o  192.648   10.218  5718.98  596.940  5718.98  596.940  5718.98  596.940  192.648   10.218  192.648   10.218 -0.000000 0.000000 
1 1 1    0   17   17 o   20.082   12.759   17.854  170.555   17.854  170.555   17.854  170.555   20.082   12.759   20.082   12.759 -0.000000 0.000000 
1 1 1    0   17   18 o  355.178   10.065 19327.76  1089.12 19327.76  1089.12 19327.76  1089.12  355.178   10.065  355.178   10.065 0.000000 0.000000 
1 1 1    0   17   19 o  158.988   5.5838  3873.81  270.206  3873.81  270.206  3873.81  270.206  158.988   5.5838  158.988   5.5838 0.000000 0.000000 
1 1 1    0   17   20 o  121.440   12.347  2325.58  446.802  2325.58  446.802  2325.58  446.802  121.440   12.347  121.440   12.347 0.000000 0.000000 
1 1 1    0   17   21 o  103.146   8.5369  1659.01  264.527  1659.01  264.527  1659.01  264.527  103.146   8.5369  103.146   8.5369 -0.000000 0.000000 
1 1 1    0   17   22 o  142.079   8.7898  3120.84  377.833  3120.84  377.833  3120.84  377.833  142.079   8.7898  142.079   8.7898 -0.000000 0.000000 
1 1 1    0   17   23 o  227.010   11.121  7942.92  766.343  7942.92  766.343  7942.92  766.343  227.010   11.121  227.010   11.121 -0.000000 0.000000 
1 1 1    0   17   24 o   14.361   8.9676   18.124   80.376   18.124   80.376   18.124   80.376   14.361   8.9676   14.361   8.9676 -0.000000 0.000000 
1 1 1    0   17   25 f  373.901   9.8005 21430.98  1116.72 21430.98  1116.72 21430.98  1116.72  373.901   9.8005  373.901   9.8005 0.000000 0.000000 
1 1 1    0   17   26 o  173.930   9.9921  4674.28  526.452  4674.28  526.452  4674.28  526.452  173.930   9.9921  173.930   9.9921 -0.000000 0.000000 
1 1 1    0   17   27 o  139.299   4.3952  2971.70  186.450  2971.70  186.450  2971.70  186.450  139.299   4.3952  139.299   4.3952 0.000000 0.000000 
1 1 1    0   17   28 o   99.675   8.7341  1554.06  261.026  1554.06  261.026  1554.06  261.026   99.675   8.7341   99.675   8.7341 0.000000 0.000000 
1 1 1    0   17   29 o  301.368   11.004 13965.83  1009.16 13965.83  1009.16 13965.83  1009.16  301.368   11.004  301.368   11.004 -0.000000 0.000000 
1 1 1    0   17   30 o   29.084   9.7580  166.528   77.330  166.528   77.330  166.528   77.330   29.084   9.7580   29.084   9.7580 0.000000 0.000000 
1 1 1    0   17   31 o   10.798   6.6486   13.497   42.667   13.497   42.667   13.497   42.667   10.798   6.6486   10.798   6.6486 0.000000 0.000000 
1 1 1    0   17   32 o  264.569   12.043 10800.03  967.898 10800.03  967.898 10800.03  967.898  264.569   12.043  264.569   12.043 -0.000000 0.000000 
1 1 1    0   17   33 o   23.828   8.6598  115.413   57.914  115.413   57.914  115.413   57.914   23.828   8.6598   23.828   8.6598 0.000000 0.000000 
1 1 1    0   17   34 f   94.044   12.473  1426.07  340.445  1426.07  340.445  1426.07  340.445   94.044   12.473   94.044   12.473 -0.000000 0.000000 
1 1 1    0   17   35 o   17.380   8.8794   67.664   59.476   67.664   59.476   67.664   59.476   17.380   8.8794   17.380   8.8794 0.000000 0.000000 
1 1 1    0   17   36 o   33.966   5.9814  191.801   56.267  191.801   56.267  191.801   56.267   33.966   5.9814   33.966   5.9814 0.000000 0.000000 
1 1 1    0   17   37 o  187.975   3.4203  5400.18  196.091  5400.18  196.091  5400.18  196.091  187.975   3.4203  187.975   3.4203 0.000000 0.000000 
1 1 1    0   17   38 o  103.242   8.0121  1659.66  248.978  1659.66  248.978  1659.66  248.978  103.242   8.0121  103.242   8.0121 0.000000 0.000000 
1 1 1    0   17   39 o  103.297   4.5841  1639.30  143.881  1639.30  143.881  1639.30  143.881  103.297   4.5841  103.297   4.5841 -0.000000 0.000000 
1 1 1    0   17   40 o   81.433   11.493  1075.47  269.279  1075.47  269.279  1075.47  269.279   81.433   11.493   81.433   11.493 -0.000000 0.000000 
1 1 1    0   17   41 o   19.711   11.338   74.732  109.196   74.732  109.196   74.732  109.196   19.711   11.338   19.711   11.338 -0.000000 0.000000 
1 1 1    0   17   42 o   89.969   2.9283  1239.68   80.220  1239.68   80.220  1239.68   80.220   89.969   2.9283   89.969   2.9283 -0.000000 0.000000 
1 1 1    0   17   43 f  378.416   9.0990 21972.98  1049.58 21972.98  1049.58 21972.98  1049.58  378.416   9.0990  378.416   9.0990 0.000000 0.000000 
1 1 1    0   17   44 o  133.792   3.8174  2740.36  155.603  2740.36  155.603  2740.36  155.603  133.792   3.8174  133.792   3.8174 -0.000000 0.000000 
1 1 1    0   17   45 o   12.292   8.0546 -11.4494   75.296 -11.4494   75.296 -11.4494   75.296   12.292   8.0546   12.292   8.0546 -0.000000 0.000000 
1 1 1    0   17   46 o  157.632   5.7680  3814.18  276.673  3814.18  276.673  3814.18  276.673  157.632   5.7680  157.632   5.7680 -0.000000 0.000000 
1 1 1    0   17   47 o   43.407   8.0724  316.568   96.088  316.568   96.088  316.568   96.088   43.407   8.0724   43.407   8.0724 -0.000000 0.000000 
1 1 1    0   17   48 o  127.662   5.3586  2504.97  207.963  2504.97  207.963  2504.97  207.963  127.662   5.3586  127.662   5.3586 -0.000000 0.000000 
1 1 1    0   17   49 o  113.619   5.2186  1986.38  180.108  1986.38  180.108  1986.38  180.108  113.619   5.2186  113.619   5.2186 0.000000 0.000000 
1 1 1    0   17   52 o  104.712   12.402  1767.34  381.742  1767.34  381.742  1767.34  381.742  104.712   12.402  104.712   12.402 0.000000 0.000000 
1 1 1    0   17   53 o   23.302   14.066   85.273  182.885   85.273  182.885   85.273  182.885   23.302   14.066   23.302   14.066 0.000000 0.000000 
1 1 1    0   17   54 o  144.260   5.1271  3198.93  225.106  3198.93  225.106  3198.93  225.106  144.260   5.1271  144.260   5.1271 -0.000000 0.000000 
1 1 1    0   17   55 o   37.354   5.2044  225.760   56.043  225.760   56.043  225.760   56.043   37.354   5.2044   37.354   5.2044 0.000000 0.000000 
1 1 1    0   18    3 o  214.994   15.930  7186.91  1032.14  7186.91  1032.14  7186.91  1032.14  214.994   15.930  214.994   15.930 0.000000 0.000000 
1 1 1    0   18    5 o  414.905   25.757 26749.22  3232.99 26749.22  3232.99 26749.22  3232.99  414.905   25.757  414.905   25.757 0.000000 0.000000 
1 1 1    0   18    6 o  209.301   15.277  6807.58  964.008  6807.58  964.008  6807.58  964.008  209.301   15.277  209.301   15.277 0.000000 0.000000 
1 1 1    0   18    7 f   95.308   14.360  1480.14  389.727  1480.14  389.727  1480.14  389.727   95.308   14.360   95.308   14.360 0.000000 0.000000 
1 1 1    0   18    8 o  175.658   14.072  4809.01  743.341  4809.01  743.341  4809.01  743.341  175.658   14.072  175.658   14.072 0.000000 0.000000 
1 1 1    0   18    9 o  741.277   44.933 86692.53 10080.83 86692.53 10080.83 86692.53 10080.83  741.277   44.933  741.277   44.933 0.000000 0.000000 
1 1 1    0   18   10 o  341.657   21.729 18128.86  2244.90 18128.86  2244.90 18128.86  2244.90  341.657   21.729  341.657   21.729 0.000000 0.000000 
1 1 1    0   18   11 o  223.583   15.730  7765.07  1061.27  7765.07  1061.27  7765.07  1061.27  223.583   15.730  223.583   15.730 -0.000000 0.000000 
1 1 1    0   18   12 o   53.765   4.8182  451.823   77.608  451.823   77.608  451.823   77.608   53.765   4.8182   53.765   4.8182 0.000000 0.000000 
1 1 1    0   18   13 o   46.886   17.985  457.737  243.278  457.737  243.278  457.737  243.278   46.886   17.985   46.886   17.985 -0.000000 0.000000 
1 1 1    0   18   14 o  134.970   12.492  2857.30  504.485  2857.30  504.485  2857.30  504.485  134.970   12.492  134.970   12.492 0.000000 0.000000 
1 1 1    0   18   15 o  358.376   22.665 19996.89  2456.52 19996.89  2456.52 19996.89  2456.52  358.376   22.665  358.376   22.665 -0.000000 0.000000 
1 1 1    0   18   16 o  281.725   8.2790 12158.53  710.513 12158.53  710.513 12158.53  710.513  281.725   8.2790  281.725   8.2790 0.000000 0.000000 
1 1 1    0   18   17 o  295.324   8.6042 13362.57  774.091 13362.57  774.091 13362.57  774.091  295.324   8.6042  295.324   8.6042 0.000000 0.000000 
1 1 1    0   18   18 o   81.663   10.018  1064.76  239.630  1064.76  239.630  1064.76  239.630   81.663   10.018   81.663   10.018 -0.000000 0.000000 
1 1 1    0   18   19 o  270.941   12.471 11311.34  1026.32 11311.34  1026.32 11311.34  1026.32  270.941   12.471  270.941   12.471 -0.000000 0.000000 
1 1 1    0   18   20 o  318.777   14.365 15675.14  1391.20 15675.14  1391.20 15675.14  1391.20  318.777   14.365  318.777   14.365 -0.000000 0.000000 
1 1 1    0   18   21 o  128.675   13.716  2622.69  523.292  2622.69  523.292  2622.69  523.292  128.675   13.716  128.675   13.716 0.000000 0.000000 
1 1 1    0   18   22 o  187.078   14.256  5460.17  803.177  5460.17  803.177  5460.17  803.177  187.078   14.256  187.078   14.256 -0.000000 0.000000 
1 1 1    0   18   23 o   48.207   17.828  477.625  243.262  477.625  243.262  477.625  243.262   48.207   17.828   48.207   17.828 -0.000000 0.000000 
1 1 1    0   18   24 o   22.315   10.924  112.108   88.164  112.108   88.164  112.108   88.164   22.315   10.924   22.315   10.924 0.000000 0.000000 
1 1 1    0   18   25 o  241.210   6.3730  8908.03  468.457  8908.03  468.457  8908.03  468.457  241.210   6.3730  241.210   6.3730 -0.000000 0.000000 
1 1 1    0   18   26 o  103.656   3.2838  1645.19  103.657  1645.19  103.657  1645.19  103.657  103.656   3.2838  103.656   3.2838 0.000000 0.000000 
1 1 1    0   18   27 o  125.743   4.3983  2423.24  168.337  2423.24  168.337  2423.24  168.337  125.743   4.3983  125.743   4.3983 0.000000 0.000000 
1 1 1    0   18   28 f  143.530   4.6951  3156.20  205.187  3156.20  205.187  3156.20  205.187  143.530   4.6951  143.530   4.6951 -0.000000 0.000000 
1 1 1    0   18   29 o  187.090   14.217  5468.12  801.080  5468.12  801.080  5468.12  801.080  187.090   14.217  187.090   14.217 -0.000000 0.000000 
1 1 1    0   18   30 o  110.633   8.6867  1906.87  289.173  1906.87  289.173  1906.87  289.173  110.633   8.6867  110.633   8.6867 0.000000 0.000000 
1 1 1    0   18   31 o  160.197   9.2839  3967.33  450.453  3967.33  450.453  3967.33  450.453  160.197   9.2839  160.197   9.2839 0.000000 0.000000 
1 1 1    0   18   32 o   94.877   4.4087  1383.56  127.040  1383.56  127.040  1383.56  127.040   94.877   4.4087   94.877   4.4087 0.000000 0.000000 
1 1 1    0   18   33 o  160.650   10.091  3999.32  490.311  3999.32  490.311  3999.32  490.311  160.650   10.091  160.650   10.091 -0.000000 0.000000 
1 1 1    0   18   34 o  308.737   6.3231 14586.25  595.285 14586.25  595.285 14586.25  595.285  308.737   6.3231  308.737   6.3231 0.000000 0.000000 
1 1 1    0   18   35 o   9.5349   6.2807  -9.5485   46.684  -9.5485   46.684  -9.5485   46.684   9.5349   6.2807   9.5349   6.2807 0.000000 0.000000 
1 1 1    0   18   36 o  132.084   3.4398  2669.08  138.464  2669.08  138.464  2669.08  138.464  132.084   3.4398  132.084   3.4398 0.000000 0.000000 
1 1 1    0   18   37 o  202.943   11.210  6372.34  689.518  6372.34  689.518  6372.34  689.518  202.943   11.210  202.943   11.210 -0.000000 0.000000 
1 1 1    0   18   38 o  196.862   10.359  5987.76  618.498  5987.76  618.498  5987.76  618.498  196.862   10.359  196.862   10.359 0.000000 0.000000 
1 1 1    0   18   39 o   53.530   6.9732  459.855  108.587  459.855  108.587  459.855  108.587   53.530   6.9732   53.530   6.9732 0.000000 0.000000 
1 1 1    0   18   40 o   93.221   3.8862  1333.95  110.137  1333.95  110.137  1333.95  110.137   93.221   3.8862   93.221   3.8862 -0.000000 0.000000 
1 1 1    0   18   41 o  104.614   3.8690  1678.12  123.154  1678.12  123.154  1678.12  123.154  104.614   3.8690  104.614   3.8690 -0.000000 0.000000 
1 1 1    0   18   42 o  164.734   3.6894  4150.29  185.296  4150.29  185.296  4150.29  185.296  164.734   3.6894  164.734   3.6894 -0.000000 0.000000 
1 1 1    0   18   43 o   65.518   11.377  714.961  206.958  714.961  206.958  714.961  206.958   65.518   11.377   65.518   11.377 -0.000000 0.000000 
1 1 1    0   18   44 o  178.798   4.1866  4891.33  228.190  4891.33  228.190  4891.33  228.190  178.798   4.1866  178.798   4.1866 0.000000 0.000000 
1 1 1    0   18   45 o  106.123   4.1543  1728.31  134.093  1728.31  134.093  1728.31  134.093  106.123   4.1543  106.123   4.1543 0.000000 0.000000 
1 1 1    0   18   46 o   25.436   16.012   50.581  261.852   50.581  261.852   50.581  261.852   25.436   16.012   25.436   16.012 -0.000000 0.000000 
1 1 1    0   18   47 o  244.863   7.5246  9211.41  561.169  9211.41  561.169  9211.41  561.169  244.863   7.5246  244.863   7.5246 -0.000000 0.000000 
1 1 1    0   18   48 f   79.514   3.4313  971.103   82.922  971.103   82.922  971.103   82.922   79.514   3.4313   79.514   3.4313 0.000000 0.000000 
1 1 1    0   18   49 o   45.965   6.4876  342.183   85.797  342.183   85.797  342.183   85.797   45.965   6.4876   45.965   6.4876 0.000000 0.000000 
1 1 1    0   18   51 o   35.607   13.351  263.923  135.465  263.923  135.465  263.923  135.465   35.607   13.351   35.607   13.351 -0.000000 0.000000 
1 1 1    0   18   53 o   23.824   13.025  124.785  135.161  124.785  135.161  124.785  135.161   23.824   13.025   23.824   13.025 -0.000000 0.000000 
1 1 1    0   18   54 o   45.072   12.365  377.443  147.083  377.443  147.083  377.443  147.083   45.072   12.365   45.072   12.365 0.000000 0.000000 
1 1 1    0   19    3 o  350.237   22.317 19072.75  2363.52 19072.75  2363.52 19072.75  2363.52  350.237   22.317  350.237   22.317 -0.000000 0.000000 
1 1 1    0   19    4 o  138.858   13.425  3031.38  556.764  3031.38  556.764  3031.38  556.764  138.858   13.425  138.858   13.425 0.000000 0.000000 
1 1 1    0   19    5 o   84.866   18.188  1242.94  413.691  1242.94  413.691  1242.94  413.691   84.866   18.188   84.866   18.188 -0.000000 0.000000 
1 1 1    0   19    6 o  108.887   13.094  1890.73  418.511  1890.73  418.511  1890.73  418.511  108.887   13.094  108.887   13.094 0.000000 0.000000 
1 1 1    0   19    7 o  420.591   26.140 27583.09  3325.98 27583.09  3325.98 27583.09  3325.98  420.591   26.140  420.591   26.140 -0.000000 0.000000 
1 1 1    0   19    8 o  167.388   13.809  4375.05  694.469  4375.05  694.469  4375.05  694.469  167.388   13.809  167.388   13.809 0.000000 0.000000 
1 1 1    0   19    9 o  354.808   10.060 19290.10  1087.44 19290.10  1087.44 19290.10  1087.44  354.808   10.060  354.808   10.060 -0.000000 0.000000 
1 1 1    0   19   10 o  464.465   28.663 33752.19  4027.93 33752.19  4027.93 33752.19  4027.93  464.465   28.663  464.465   28.663 0.000000 0.000000 
1 1 1    0   19   11 o  155.865   13.000  3795.22  608.575  3795.22  608.575  3795.22  608.575  155.865   13.000  155.865   13.000 0.000000 0.000000 
1 1 1    0   19   12 f   20.431   13.131   3.0848  187.146   3.0848  187.146   3.0848  187.146   20.431   13.131   20.431   13.131 -0.000000 0.000000 
1 1 1    0   19   13 o   9.9600   6.3739   1.9677   43.526   1.9677   43.526   1.9677   43.526   9.9600   6.3739   9.9600   6.3739 0.000000 0.000000 
1 1 1    0   19   14 o  350.955   22.298 19214.82  2366.44 19214.82  2366.44 19214.82  2366.44  350.955   22.298  350.955   22.298 -0.000000 0.000000 
1 1 1    0   19   15 o   22.711   14.108   51.761  196.356   51.761  196.356   51.761  196.356   22.711   14.108   22.711   14.108 -0.000000 0.000000 
1 1 1    0   19   16 o  503.655   31.125 39998.28  4742.88 39998.28  4742.88 39998.28  4742.88  503.655   31.125  503.655   31.125 0.000000 0.000000 
1 1 1    0   19   17 o  133.810   12.511  2813.34  500.696  2813.34  500.696  2813.34  500.696  133.810   12.511  133.810   12.511 0.000000 0.000000 
1 1 1    0   19   19 o  144.045   13.107  3257.91  565.287  3257.91  565.287  3257.91  565.287  144.045   13.107  144.045   13.107 -0.000000 0.000000 
1 1 1    0   19   20 o   78.735   17.675  1083.12  370.781  1083.12  370.781  1083.12  370.781   78.735   17.675   78.735   17.675 0.000000 0.000000 
1 1 1    0   19   21 o  108.072   14.154  1880.95  444.706  1880.95  444.706  1880.95  444.706  108.072   14.154  108.072   14.154 -0.000000 0.000000 
1 1 1    0   19   22 o   84.671   4.5708  1104.28  117.340  1104.28  117.340  1104.28  117.340   84.671   4.5708   84.671   4.5708 0.000000 0.000000 
1 1 1    0   19   23 o  227.797   6.4648  7947.98  448.672  7947.98  448.672  7947.98  448.672  227.797   6.4648  227.797   6.4648 0.000000 0.000000 
1 1 1    0   19   24 o  161.144   5.1906  3978.47  254.700  3978.47  254.700  3978.47  254.700  161.144   5.1906  161.144   5.1906 0.000000 0.000000 
1 1 1    0   19   25 o   34.673   6.1015  199.821   58.599  199.821   58.599  199.821   58.599   34.673   6.1015   34.673   6.1015 0.000000 0.000000 
1 1 1    0   19   26 o   72.912   4.6818  821.850  103.206  821.850  103.206  821.850  103.206   72.912   4.6818   72.912   4.6818 0.000000 0.000000 
1 1 1    0   19   27 o   49.787   5.1734  390.719   76.672  390.719   76.672  390.719   76.672   49.787   5.1734   49.787   5.1734 -0.000000 0.000000 
1 1 1    0   19   28 o   18.517   8.5644   76.476   53.405   76.476   53.405   76.476   53.405   18.517   8.5644   18.517   8.5644 0.000000 0.000000 
1 1 1    0   19   29 o   64.802   4.6073  650.995   90.069  650.995   90.069  650.995   90.069   64.802   4.6073   64.802   4.6073 0.000000 0.000000 
1 1 1    0   19   30 o  283.579   6.0344 12305.20  521.777 12305.20  521.777 12305.20  521.777  283.579   6.0344  283.579   6.0344 -0.000000 0.000000 
1 1 1    0   19   31 o  183.823   10.816  5231.79  602.020  5231.79  602.020  5231.79  602.020  183.823   10.816  183.823   10.816 0.000000 0.000000 
1 1 1    0   19   32 o  205.686   11.179  6542.79  697.088  6542.79  697.088  6542.79  697.088  205.686   11.179  205.686   11.179 -0.000000 0.000000 
1 1 1    0   19   33 o  212.518   6.0861  6918.91  394.047  6918.91  394.047  6918.91  394.047  212.518   6.0861  212.518   6.0861 -0.000000 0.000000 
1 1 1    0   19   34 o  171.048   5.1893  4481.80  270.355  4481.80  270.355  4481.80  270.355  171.048   5.1893  171.048   5.1893 -0.000000 0.000000 
1 1 1    0   19   35 o  152.759   15.960  3709.19  725.538  3709.19  725.538  3709.19  725.538  152.759   15.960  152.759   15.960 -0.000000 0.000000 
1 1 1    0   19   36 o  309.653   8.1379 14700.89  767.933 14700.89  767.933 14700.89  767.933  309.653   8.1379  309.653   8.1379 -0.000000 0.000000 
1 1 1    0   19   37 f  310.058   7.8502 14735.74  741.844 14735.74  741.844 14735.74  741.844  310.058   7.8502  310.058   7.8502 -0.000000 0.000000 
1 1 1    0   19   38 o  290.293   8.4339 12931.04  745.852 12931.04  745.852 12931.04  745.852  290.293   8.4339  290.293   8.4339 -0.000000 0.000000 
1 1 1    0   19   39 o  153.327   10.388  3653.49  481.022  3653.49  481.022  3653.49  481.022  153.327   10.388  153.327   10.388 -0.000000 0.000000 
1 1 1    0   19   40 o   41.731   5.7669  280.963   69.455  280.963   69.455  280.963   69.455   41.731   5.7669   41.731   5.7669 -0.000000 0.000000 
1 1 1    0   19   41 o   73.539   5.2322  838.858  116.075  838.858  116.075  838.858  116.075   73.539   5.2322   73.539   5.2322 -0.000000 0.000000 
1 1 1    0   19   42 o  237.795   6.8071  8671.52  493.147  8671.52  493.147  8671.52  493.147  237.795   6.8071  237.795   6.8071 -0.000000 0.000000 
1 1 1    0   19   43 o   22.375   11.521  112.477  100.568  112.477  100.568  112.477  100.568   22.375   11.521   22.375   11.521 -0.000000 0.000000 
1 1 1    0   19   44 f   30.844   8.4579  174.729   68.847  174.729   68.847  174.729   68.847   30.844   8.4579   30.844   8.4579 -0.000000 0.000000 
1 1 1    0   19   45 o   95.689   5.1698  1411.99  149.986  1411.99  149.986  1411.99  149.986   95.689   5.1698   95.689   5.1698 -0.000000 0.000000 
1 1 1    0   19   46 o   96.968   16.656  1579.76  449.318  1579.76  449.318  1579.76  449.318   96.968   16.656   96.968   16.656 0.000000 0.000000 
1 1 1    0   19   47 o   67.944   5.1017  717.789  104.427  717.789  104.427  717.789  104.427   67.944   5.1017   67.944   5.1017 -0.000000 0.000000 
1 1 1    0   19   48 o   69.269   15.339  842.992  283.554  842.992  283.554  842.992  283.554   69.269   15.339   69.269   15.339 -0.000000 0.000000 
1 1 1    0   19   50 o  152.202   3.8289  3547.87  177.619  3547.87  177.619  3547.87  177.619  152.202   3.8289  152.202   3.8289 -0.000000 0.000000 
1 1 1    0   19   51 f  117.496   12.361  2214.69  432.066  2214.69  432.066  2214.69  432.066  117.496   12.361  117.496   12.361 0.000000 0.000000 
1 1 1    0   19   52 o   45.442   25.936  475.952  564.820  475.952  564.820  475.952  564.820   45.442   25.936   45.442   25.936 -0.000000 0.000000 
1 1 1    0   19   53 o  147.448   18.723  3638.25  805.602  3638.25  805.602  3638.25  805.602  147.448   18.723  147.448   18.723 0.000000 0.000000 
1 1 1    0   20    5 o  330.208   21.295 16995.42  2125.82 16995.42  2125.82 16995.42  2125.82  330.208   21.295  330.208   21.295 0.000000 0.000000 
1 1 1    0   20    6 o  222.699   15.806  7720.31  1061.97  7720.31  1061.97  7720.31  1061.97  222.699   15.806  222.699   15.806 -0.000000 0.000000 
1 1 1    0   20    7 o  156.956   13.360  3854.31  629.371  3854.31  629.371  3854.31  629.371  156.956   13.360  156.956   13.360 -0.000000 0.000000 
1 1 1    0   20    8 o  276.648   18.412 11917.76  1538.89 11917.76  1538.89 11917.76  1538.89  276.648   18.412  276.648   18.412 -0.000000 0.000000 
1 1 1    0   20    9 o   57.394   18.664  642.572  289.297  642.572  289.297  642.572  289.297   57.394   18.664   57.394   18.664 -0.000000 0.000000 
1 1 1    0   20   10 o  172.151   13.512  4624.05  699.930  4624.05  699.930  4624.05  699.930  172.151   13.512  172.151   13.512 0.000000 0.000000 
1 1 1    0   20   11 o   75.214   13.654  947.128  282.828  947.128  282.828  947.128  282.828   75.214   13.654   75.214   13.654 0.000000 0.000000 
1 1 1    0   20   12 o   88.043   12.515  1256.63  316.674  1256.63  316.674  1256.63  316.674   88.043   12.515   88.043   12.515 -0.000000 0.000000 
1 1 1    0   20   13 f  153.526   12.849  3686.31  592.389  3686.31  592.389  3686.31  592.389  153.526   12.849  153.526   12.849 -0.000000 0.000000 
1 1 1    0   20   18 o   74.105   14.059  926.883  284.683  926.883  284.683  926.883  284.683   74.105   14.059   74.105   14.059 0.000000 0.000000 
1 1 1    0   20   19 o  364.687   23.168 20849.65  2554.95 20849.65  2554.95 20849.65  2554.95  364.687   23.168  364.687   23.168 -0.000000 0.000000 
1 1 1    0   20   20 f  183.863   14.058  5278.45  778.322  5278.45  778.322  5278.45  778.322  183.863   14.058  183.863   14.058 -0.000000 0.000000 
1 1 1    0   20   21 o   79.452   9.9801  1010.78  231.665  1010.78  231.665  1010.78  231.665   79.452   9.9801   79.452   9.9801 0.000000 0.000000 
1 1 1    0   20   22 o  172.689   13.651  4661.72  709.205  4661.72  709.205  4661.72  709.205  172.689   13.651  172.689   13.651 -0.000000 0.000000 
1 1 1    0   20   23 o  100.928   9.2525  1597.54  279.519  1597.54  279.519  1597.54  279.519  100.928   9.2525  100.928   9.2525 0.000000 0.000000 
1 1 1    0   20   24 o  433.046   27.206 29646.71  3563.43 29646.71  3563.43 29646.71  3563.43  433.046   27.206  433.046   27.206 0.000000 0.000000 
1 1 1    0   20   25 o  171.282   9.4256  4531.15  489.352  4531.15  489.352  4531.15  489.352  171.282   9.4256  171.282   9.4256 -0.000000 0.000000 
1 1 1    0   20   26 o  234.541   9.6241  8464.29  686.329  8464.29  686.329  8464.29  686.329  234.541   9.6241  234.541   9.6241 0.000000 0.000000 
1 1 1    0   20   27 o   55.085   12.051  526.149  177.428  526.149  177.428  526.149  177.428   55.085   12.051   55.085   12.051 0.000000 0.000000 
1 1 1    0   20   28 o  387.246   7.8454 22964.35  926.439 22964.35  926.439 22964.35  926.439  387.246   7.8454  387.246   7.8454 -0.000000 0.000000 
1 1 1    0   20   29 o  442.360   11.244 30058.65  1515.92 30058.65  1515.92 30058.65  1515.92  442.360   11.244  442.360   11.244 -0.000000 0.000000 
1 1 1    0   20   30 o  196.669   4.6770  5917.60  280.390  5917.60  280.390  5917.60  280.390  196.669   4.6770  196.669   4.6770 0.000000 0.000000 
1 1 1    0   20   31 o   51.774   5.2503  421.961   81.013  421.961   81.013  421.961   81.013   51.774   5.2503   51.774   5.2503 -0.000000 0.000000 
1 1 1    0   20   32 o  242.342   7.4071  9006.27  546.735  9006.27  546.735  9006.27  546.735  242.342   7.4071  242.342   7.4071 -0.000000 0.000000 
1 1 1    0   20   33 o  176.637   10.316  4829.12  551.844  4829.12  551.844  4829.12  551.844  176.637   10.316  176.637   10.316 0.000000 0.000000 
1 1 1    0   20   34 o   46.606   8.0641  360.524  104.415  360.524  104.415  360.524  104.415   46.606   8.0641   46.606   8.0641 0.000000 0.000000 
1 1 1    0   20   35 o  293.408   8.8025 13214.23  786.699 13214.23  786.699 13214.23  786.699  293.408   8.8025  293.408   8.8025 -0.000000 0.000000 
1 1 1    0   20   36 o   12.732   7.8824   17.227   60.763   17.227   60.763   17.227   60.763   12.732   7.8824   12.732   7.8824 -0.000000 0.000000 
1 1 1    0   20   37 o  259.573   6.8189 10324.73  539.405 10324.73  539.405 10324.73  539.405  259.573   6.8189  259.573   6.8189 -0.000000 0.000000 
1 1 1    0   20   38 o   63.408   3.8192  620.635   73.301  620.635   73.301  620.635   73.301   63.408   3.8192   63.408   3.8192 0.000000 0.000000 
1 1 1    0   20   39 o   53.656   6.4887  459.123  102.137  459.123  102.137  459.123  102.137   53.656   6.4887   53.656   6.4887 -0.000000 0.000000 
1 1 1    0   20   40 o   70.532   4.0969  767.508   87.517  767.508   87.517  767.508   87.517   70.532   4.0969   70.532   4.0969 -0.000000 0.000000 
1 1 1    0   20   41 o   14.681   8.4621   41.053   61.016   41.053   61.016   41.053   61.016   14.681   8.4621   14.681   8.4621 -0.000000 0.000000 
1 1 1    0   20   42 o  201.551   6.0560  6229.64  371.789  6229.64  371.789  6229.64  371.789  201.551   6.0560  201.551   6.0560 -0.000000 0.000000 
1 1 1    0   20   43 o  113.393   11.514  2038.18  389.095  2038.18  389.095  2038.18  389.095  113.393   11.514  113.393   11.514 0.000000 0.000000 
1 1 1    0   20   44 o  201.257   6.5879  6219.92  403.704  6219.92  403.704  6219.92  403.704  201.257   6.5879  201.257   6.5879 -0.000000 0.000000 
1 1 1    0   20   45 o   63.898   4.7847  634.596   92.114  634.596   92.114  634.596   92.114   63.898   4.7847   63.898   4.7847 0.000000 0.000000 
1 1 1    0   20   46 o   25.947   9.9466  140.490   74.429  140.490   74.429  140.490   74.429   25.947   9.9466   25.947   9.9466 0.000000 0.000000 
1 1 1    0   20   47 o   85.779   13.312  1217.42  323.527  1217.42  323.527  1217.42  323.527   85.779   13.312   85.779   13.312 -0.000000 0.000000 
1 1 1    0   20   48 o  117.741   10.539  2190.33  371.757  2190.33  371.757  2190.33  371.757  117.741   10.539  117.741   10.539 0.000000 0.000000 
1 1 1    0   20   49 o   19.520   12.714 -12.0205  183.429 -12.0205  183.429 -12.0205  183.429   19.520   12.714   19.520   12.714 -0.000000 0.000000 
1 1 1    0   20   50 o   71.060   13.113  859.109  255.886  859.109  255.886  859.109  255.886   71.060   13.113   71.060   13.113 0.000000 0.000000 
1 1 1    0   20   51 o   79.430   29.166  1388.21  653.456  1388.21  653.456  1388.21  653.456   79.430   29.166   79.430   29.166 -0.000000 0.000000 
1 1 1    0   21    6 o   99.596   13.337  1599.47  385.038  1599.47  385.038  1599.47  385.038   99.596   13.337   99.596   13.337 0.000000 0.000000 
1 1 1    0   21    7 o   96.815   13.294  1515.09  371.788  1515.09  371.788  1515.09  371.788   96.815   13.294   96.815   13.294 -0.000000 0.000000 
1 1 1    0   21    8 o   25.838   15.737   90.870  233.281   90.870  233.281   90.870  233.281   25.838   15.737   25.838   15.737 0.000000 0.000000 
1 1 1    0   21   14 o  151.080   12.830  3574.09  581.801  3574.09  581.801  3574.09  581.801  151.080   12.830  151.080   12.830 0.000000 0.000000 
1 1 1    0   21   15 o  105.820   12.119  1781.97  378.130  1781.97  378.130  1781.97  378.130  105.820   12.119  105.820   12.119 -0.000000 0.000000 
1 1 1    0   21   16 o  135.339   12.424  2877.81  503.272  2877.81  503.272  2877.81  503.272  135.339   12.424  135.339   12.424 0.000000 0.000000 
1 1 1    0   21   17 o  113.227   4.9804  1969.34  171.361  1969.34  171.361  1969.34  171.361  113.227   4.9804  113.227   4.9804 -0.000000 0.000000 
1 1 1    0   21   18 o  234.502   7.1856  8429.45  513.221  8429.45  513.221  8429.45  513.221  234.502   7.1856  234.502   7.1856 0.000000 0.000000 
1 1 1    0   21   19 o  102.377   4.6999  1610.75  146.156  1610.75  146.156  1610.75  146.156  102.377   4.6999  102.377   4.6999 0.000000 0.000000 
1 1 1    0   21   20 o  174.737   5.8998  4680.91  313.848  4680.91  313.848  4680.91  313.848  174.737   5.8998  174.737   5.8998 -0.000000 0.000000 
1 1 1    0   21   21 o  213.921   6.7311  7015.15  438.515  7015.15  438.515  7015.15  438.515  213.921   6.7311  213.921   6.7311 0.000000 0.000000 
1 1 1    0   21   22 o  130.938   5.1081  2630.75  203.442  2630.75  203.442  2630.75  203.442  130.938   5.1081  130.938   5.1081 0.000000 0.000000 
1 1 1    0   21   23 o  231.219   6.6320  8191.57  467.169  8191.57  467.169  8191.57  467.169  231.219   6.6320  231.219   6.6320 0.000000 0.000000 
1 1 1    0   21   24 o  144.568   4.9898  3203.74  219.581  3203.74  219.581  3203.74  219.581  144.568   4.9898  144.568   4.9898 -0.000000 0.000000 
1 1 1    0   21   25 o   35.743   6.5753  213.896   64.576  213.896   64.576  213.896   64.576   35.743   6.5753   35.743   6.5753 -0.000000 0.000000 
1 1 1    0   21   26 o  142.285   12.973  3184.26  552.648  3184.26  552.648  3184.26  552.648  142.285   12.973  142.285   12.973 -0.000000 0.000000 
1 1 1    0   21   27 o   20.853   13.480  -5.2755  201.103  -5.2755  201.103  -5.2755  201.103   20.853   13.480   20.853   13.480 -0.000000 0.000000 
1 1 1    0   21   28 o   67.334   5.5943  706.914  113.147  706.914  113.147  706.914  113.147   67.334   5.5943   67.334   5.5943 -0.000000 0.000000 
1 1 1    0   21   29 o   22.051   14.463 -37.2129  243.680 -37.2129  243.680 -37.2129  243.680   22.051   14.463   22.051   14.463 0.000000 0.000000 
1 1 1    0   21   30 o  141.365   13.036  3145.69  551.464  3145.69  551.464  3145.69  551.464  141.365   13.036  141.365   13.036 -0.000000 0.000000 
1 1 1    0   21   31 o  115.392   5.5916  2048.77  195.885  2048.77  195.885  2048.77  195.885  115.392   5.5916  115.392   5.5916 -0.000000 0.000000 
1 1 1    0   21   32 o  236.339   7.5779  8569.74  545.370  8569.74  545.370  8569.74  545.370  236.339   7.5779  236.339   7.5779 0.000000 0.000000 
1 1 1    0   21   33 o  432.094   9.5358 28640.06  1256.25 28640.06  1256.25 28640.06  1256.25  432.094   9.5358  432.094   9.5358 0.000000 0.000000 
1 1 1    0   21   34 o  147.179   4.9091  3320.17  219.972  3320.17  219.972  3320.17  219.972  147.179   4.9091  147.179   4.9091 -0.000000 0.000000 
1 1 1    0   21   35 o   40.198   10.096  289.451  107.139  289.451  107.139  289.451  107.139   40.198   10.096   40.198   10.096 -0.000000 0.000000 
1 1 1    0   21   36 o   90.282   4.8488  1255.99  132.733  1255.99  132.733  1255.99  132.733   90.282   4.8488   90.282   4.8488 -0.000000 0.000000 
1 1 1    0   21   37 o  178.139   4.9506  4859.85  268.705  4859.85  268.705  4859.85  268.705  178.139   4.9506  178.139   4.9506 0.000000 0.000000 
1 1 1    0   21   38 o  137.352   5.1000  2894.82  213.137  2894.82  213.137  2894.82  213.137  137.352   5.1000  137.352   5.1000 0.000000 0.000000 
1 1 1    0   21   39 o   73.544   4.3230  834.801   96.272  834.801   96.272  834.801   96.272   73.544   4.3230   73.544   4.3230 -0.000000 0.000000 
1 1 1    0   21   40 o  125.621   5.4967  2426.35  209.837  2426.35  209.837  2426.35  209.837  125.621   5.4967  125.621   5.4967 0.000000 0.000000 
1 1 1    0   21   41 o   20.619   9.9683   95.926   73.049   95.926   73.049   95.926   73.049   20.619   9.9683   20.619   9.9683 0.000000 0.000000 
1 1 1    0   21   42 o  394.074   11.145 23958.23  1338.10 23958.23  1338.10 23958.23  1338.10  394.074   11.145  394.074   11.145 0.000000 0.000000 
1 1 1    0   21   43 o   52.176   5.9227  432.310   91.183  432.310   91.183  432.310   91.183   52.176   5.9227   52.176   5.9227 0.000000 0.000000 
1 1 1    0   21   44 o  132.875   9.2259  2751.89  370.030  2751.89  370.030  2751.89  370.030  132.875   9.2259  132.875   9.2259 -0.000000 0.000000 
1 1 1    0   21   45 o   66.100   15.815  782.347  276.799  782.347  276.799  782.347  276.799   66.100   15.815   66.100   15.815 0.000000 0.000000 
1 1 1    0   21   46 o   65.356   15.786  767.957  272.988  767.957  272.988  767.957  272.988   65.356   15.786   65.356   15.786 0.000000 0.000000 
1 1 1    0   21   47 o   26.932   12.692  164.723  117.651  164.723  117.651  164.723  117.651   26.932   12.692   26.932   12.692 0.000000 0.000000 
1 1 1    0   21   48 o   20.568   13.140   17.562  184.050   17.562  184.050   17.562  184.050   20.568   13.140   20.568   13.140 -0.000000 0.000000 
1 1 1    0   21   49 o   66.255   8.8483  711.596  169.992  711.596  169.992  711.596  169.992   66.255   8.8483   66.255   8.8483 0.000000 0.000000 
1 1 1    0   21   50 o   17.946   11.555   4.8144  145.739   4.8144  145.739   4.8144  145.739   17.946   11.555   17.946   11.555 -0.000000 0.000000 
1 1 1    0   22    9 o  433.580   12.062 28880.05  1593.52 28880.05  1593.52 28880.05  1593.52  433.580   12.062  433.580   12.062 0.000000 0.000000 
1 1 1    0   22   10 o  265.201   17.810 10978.42  1426.71 10978.42  1426.71 10978.42  1426.71  265.201   17.810  265.201   17.810 0.000000 0.000000 
1 1 1    0   22   11 o  193.421   14.403  5839.16  839.459  5839.16  839.459  5839.16  839.459  193.421   14.403  193.421   14.403 0.000000 0.000000 
1 1 1    0   22   12 o   19.524   12.636  -6.9351  177.380  -6.9351  177.380  -6.9351  177.380   19.524   12.636   19.524   12.636 -0.000000 0.000000 
1 1 1    0   22   13 o   20.619   13.100   19.772  179.823   19.772  179.823   19.772  179.823   20.619   13.100   20.619   13.100 -0.000000 0.000000 
1 1 1    0   22   14 o  106.046   12.086  1789.60  378.069  1789.60  378.069  1789.60  378.069  106.046   12.086  106.046   12.086 -0.000000 0.000000 
1 1 1    0   22   15 o  107.645   12.165  1843.16  386.549  1843.16  386.549  1843.16  386.549  107.645   12.165  107.645   12.165 0.000000 0.000000 
1 1 1    0   22   16 o  297.144   19.505 13815.37  1751.54 13815.37  1751.54 13815.37  1751.54  297.144   19.505  297.144   19.505 -0.000000 0.000000 
1 1 1    0   22   17 o  251.869   17.178  9910.50  1306.51  9910.50  1306.51  9910.50  1306.51  251.869   17.178  251.869   17.178 0.000000 0.000000 
1 1 1    0   22   18 o  226.804   15.959  8033.63  1092.21  8033.63  1092.21  8033.63  1092.21  226.804   15.959  226.804   15.959 0.000000 0.000000 
1 1 1    0   22   19 o  133.255   12.464  2794.51  496.733  2794.51  496.733  2794.51  496.733  133.255   12.464  133.255   12.464 -0.000000 0.000000 
1 1 1    0   22   20 o  163.272   13.330  4173.91  654.106  4173.91  654.106  4173.91  654.106  163.272   13.330  163.272   13.330 -0.000000 0.000000 
1 1 1    0   22   21 o  136.393   12.601  2926.64  514.280  2926.64  514.280  2926.64  514.280  136.393   12.601  136.393   12.601 0.000000 0.000000 
1 1 1    0   22   22 o  169.390   13.605  4491.58  692.987  4491.58  692.987  4491.58  692.987  169.390   13.605  169.390   13.605 -0.000000 0.000000 
1 1 1    0   22   24 o   76.715   14.952  999.838  311.981  999.838  311.981  999.838  311.981   76.715   14.952   76.715   14.952 0.000000 0.000000 
1 1 1    0   22   25 o   24.758   14.635  105.646  190.227  105.646  190.227  105.646  190.227   24.758   14.635   24.758   14.635 -0.000000 0.000000 
1 1 1    0   22   26 o  195.024   5.9994  5828.72  356.356  5828.72  356.356  5828.72  356.356  195.024   5.9994  195.024   5.9994 -0.000000 0.000000 
1 1 1    0   22   27 o  153.870   5.0111  3628.12  234.780  3628.12  234.780  3628.12  234.780  153.870   5.0111  153.870   5.0111 -0.000000 0.000000 
1 1 1    0   22   29 o  164.420   14.675  4256.95  722.977  4256.95  722.977  4256.95  722.977  164.420   14.675  164.420   14.675 -0.000000 0.000000 
1 1 1    0   22   30 o  198.187   15.179  6153.12  905.782  6153.12  905.782  6153.12  905.782  198.187   15.179  198.187   15.179 -0.000000 0.000000 
1 1 1    0   22   31 o  318.541   8.8058 15570.36  854.671 15570.36  854.671 15570.36  854.671  318.541   8.8058  318.541   8.8058 0.000000 0.000000 
1 1 1    0   22   32 o   23.535   11.899  124.798  106.154  124.798  106.154  124.798  106.154   23.535   11.899   23.535   11.899 0.000000 0.000000 
1 1 1    0   22   33 o  345.433   8.2902 18297.69  872.933 18297.69  872.933 18297.69  872.933  345.433   8.2902  345.433   8.2902 0.000000 0.000000 
1 1 1    0   22   34 o   9.7657   6.6318 -32.6821   59.633 -32.6821   59.633 -32.6821   59.633   9.7657   6.6318   9.7657   6.6318 0.000000 0.000000 
1 1 1    0   22   35 o   42.235   5.3420  285.381   65.866  285.381   65.866  285.381   65.866   42.235   5.3420   42.235   5.3420 0.000000 0.000000 
1 1 1    0   22   36 o   70.839   5.7708  782.268  122.870  782.268  122.870  782.268  122.870   70.839   5.7708   70.839   5.7708 -0.000000 0.000000 
1 1 1    0   22   37 o  214.725   5.7085  7064.04  373.532  7064.04  373.532  7064.04  373.532  214.725   5.7085  214.725   5.7085 0.000000 0.000000 
1 1 1    0   22   38 o   45.179   6.1309  328.907   80.152  328.907   80.152  328.907   80.152   45.179   6.1309   45.179   6.1309 0.000000 0.000000 
1 1 1    0   22   39 o   83.792   4.9510  1084.33  125.611  1084.33  125.611  1084.33  125.611   83.792   4.9510   83.792   4.9510 -0.000000 0.000000 
1 1 1    0   22   40 o   20.128   9.4333   90.933   64.903   90.933   64.903   90.933   64.903   20.128   9.4333   20.128   9.4333 -0.000000 0.000000 
1 1 1    0   22   41 o   27.855   8.0684  145.047   59.525  145.047   59.525  145.047   59.525   27.855   8.0684   27.855   8.0684 0.000000 0.000000 
1 1 1    0   22   42 o  260.625   13.205 10593.15  1044.25 10593.15  1044.25 10593.15  1044.25  260.625   13.205  260.625   13.205 0.000000 0.000000 
1 1 1    0   22   43 o  104.694   12.837  1770.03  393.705  1770.03  393.705  1770.03  393.705  104.694   12.837  104.694   12.837 -0.000000 0.000000 
1 1 1    0   22   44 o  128.288   12.680  2623.80  485.376  2623.80  485.376  2623.80  485.376  128.288   12.680  128.288   12.680 -0.000000 0.000000 
1 1 1    0   22   45 o  124.588   4.9530  2386.62  187.674  2386.62  187.674  2386.62  187.674  124.588   4.9530  124.588   4.9530 -0.000000 0.000000 
1 1 1    0   22   46 o   22.751   14.131   58.622  196.941   58.622  196.941   58.622  196.941   22.751   14.131   22.751   14.131 0.000000 0.000000 
1 1 1    0   22   47 o   30.060   14.399  207.668  152.067  207.668  152.067  207.668  152.067   30.060   14.399   30.060   14.399 -0.000000 0.000000 
1 1 1    0   22   48 o   97.387   6.7222  1477.56  197.629  1477.56  197.629  1477.56  197.629   97.387   6.7222   97.387   6.7222 -0.000000 0.000000 
1 1 1    0   23    2 o  339.483   21.910 18069.96  2248.62 18069.96  2248.62 18069.96  2248.62  339.483   21.910  339.483   21.910 0.000000 0.000000 
1 1 1    0   23    3 o  224.489   16.030  7869.34  1085.48  7869.34  1085.48  7869.34  1085.48  224.489   16.030  224.489   16.030 0.000000 0.000000 
1 1 1    0   23    4 o  153.531   13.584  3701.59  625.104  3701.59  625.104  3701.59  625.104  153.531   13.584  153.531   13.584 -0.000000 0.000000 
1 1 1    0   23    5 o  443.630   27.812 31121.32  3731.96 31121.32  3731.96 31121.32  3731.96  443.630   27.812  443.630   27.812 -0.000000 0.000000 
1 1 1    0   23    9 o   67.788   14.924  799.084  270.184  799.084  270.184  799.084  270.184   67.788   14.924   67.788   14.924 0.000000 0.000000 
1 1 1    0   23   10 o   53.861   16.809  557.953  242.307  557.953  242.307  557.953  242.307   53.861   16.809   53.861   16.809 0.000000 0.000000 
1 1 1    0   23   11 o  270.534   18.095 11440.26  1478.81 11440.26  1478.81 11440.26  1478.81  270.534   18.095  270.534   18.095 -0.000000 0.000000 
1 1 1    0   23   12 o   19.363   12.609 -16.1722  180.294 -16.1722  180.294 -16.1722  180.294   19.363   12.609   19.363   12.609 -0.000000 0.000000 
1 1 1    0   23   13 o   79.842   13.343  1055.79  297.861  1055.79  297.861  1055.79  297.861   79.842   13.343   79.842   13.343 0.000000 0.000000 
1 1 1    0   23   14 o  252.799   17.216  9987.39  1314.21  9987.39  1314.21  9987.39  1314.21  252.799   17.216  252.799   17.216 -0.000000 0.000000 
1 1 1    0   23   15 o  243.572   16.771  9270.45  1233.23  9270.45  1233.23  9270.45  1233.23  243.572   16.771  243.572   16.771 -0.000000 0.000000 
1 1 1    0   23   16 o   34.965   17.230  277.204  219.916  277.204  219.916  277.204  219.916   34.965   17.230   34.965   17.230 0.000000 0.000000 
1 1 1    0   23   17 o   24.358   14.731   87.112  201.357   87.112  201.357   87.112  201.357   24.358   14.731   24.358   14.731 -0.000000 0.000000 
1 1 1    0   23   18 o  211.800   15.295  7009.42  976.885  7009.42  976.885  7009.42  976.885  211.800   15.295  211.800   15.295 -0.000000 0.000000 
1 1 1    0   23   19 o  215.980   15.503  7289.64  1009.91  7289.64  1009.91  7289.64  1009.91  215.980   15.503  215.980   15.503 0.000000 0.000000 
1 1 1    0   23   20 o  309.531   20.233 15024.60  1892.82 15024.60  1892.82 15024.60  1892.82  309.531   20.233  309.531   20.233 -0.000000 0.000000 
1 1 1    0   23   21 o  138.876   5.2568  2958.96  222.100  2958.96  222.100  2958.96  222.100  138.876   5.2568  138.876   5.2568 -0.000000 0.000000 
1 1 1    0   23   22 o   92.541   4.6746  1317.98  131.270  1317.98  131.270  1317.98  131.270   92.541   4.6746   92.541   4.6746 0.000000 0.000000 
1 1 1    0   23   23 o  110.481   4.8579  1875.21  163.094  1875.21  163.094  1875.21  163.094  110.481   4.8579  110.481   4.8579 -0.000000 0.000000 
1 1 1    0   23   27 o   43.465   22.514  429.775  385.618  429.775  385.618  429.775  385.618   43.465   22.514   43.465   22.514 -0.000000 0.000000 
1 1 1    0   23   28 o   67.215   6.5638  710.185  131.712  710.185  131.712  710.185  131.712   67.215   6.5638   67.215   6.5638 -0.000000 0.000000 
1 1 1    0   23   29 o  101.679   9.0489  1620.29  275.713  1620.29  275.713  1620.29  275.713  101.679   9.0489  101.679   9.0489 0.000000 0.000000 
1 1 1    0   23   30 o   14.703   8.4405   41.705   60.315   41.705   60.315   41.705   60.315   14.703   8.4405   14.703   8.4405 -0.000000 0.000000 
1 1 1    0   23   31 o  170.221   4.3842  4434.66  227.441  4434.66  227.441  4434.66  227.441  170.221   4.3842  170.221   4.3842 0.000000 0.000000 
1 1 1    0   23   32 o   11.402   7.2498   5.4634   55.203   5.4634   55.203   5.4634   55.203   11.402   7.2498   11.402   7.2498 -0.000000 0.000000 
1 1 1    0   23   33 o  181.674   8.8310  5092.43  487.051  5092.43  487.051  5092.43  487.051  181.674   8.8310  181.674   8.8310 -0.000000 0.000000 
1 1 1    0   23   34 o   41.762   16.308  368.263  198.579  368.263  198.579  368.263  198.579   41.762   16.308   41.762   16.308 -0.000000 0.000000 
1 1 1    0   23   35 o  121.220   4.8950  2256.50  180.441  2256.50  180.441  2256.50  180.441  121.220   4.8950  121.220   4.8950 -0.000000 0.000000 
1 1 1    0   23   36 o  203.497   6.5785  6356.15  407.635  6356.15  407.635  6356.15  407.635  203.497   6.5785  203.497   6.5785 -0.000000 0.000000 
1 1 1    0   23   37 o   12.888   7.9851   17.546   62.480   17.546   62.480   17.546   62.480   12.888   7.9851   12.888   7.9851 -0.000000 0.000000 
1 1 1    0   23   38 o  119.513   9.0087  2228.83  324.326  2228.83  324.326  2228.83  324.326  119.513   9.0087  119.513   9.0087 0.000000 0.000000 
1 1 1    0   23   39 o  171.319   9.7501  4554.53  506.056  4554.53  506.056  4554.53  506.056  171.319   9.7501  171.319   9.7501 0.000000 0.000000 
1 1 1    0   23   40 o  139.845   10.341  3059.21  435.864  3059.21  435.864  3059.21  435.864  139.845   10.341  139.845   10.341 0.000000 0.000000 
1 1 1    0   23   41 o   22.359   14.312   16.485  219.606   16.485  219.606   16.485  219.606   22.359   14.312   22.359   14.312 -0.000000 0.000000 
1 1 1    0   23   42 o   74.930   12.902  941.501  268.829  941.501  268.829  941.501  268.829   74.930   12.902   74.930   12.902 0.000000 0.000000 
1 1 1    0   23   43 o   25.274   15.294   99.412  217.321   99.412  217.321   99.412  217.321   25.274   15.294   25.274   15.294 0.000000 0.000000 
1 1 1    0   23   44 o  101.897   10.905  1660.42  329.348  1660.42  329.348  1660.42  329.348  101.897   10.905  101.897   10.905 0.000000 0.000000 
1 1 1    0   23   45 o  258.566   20.365 10951.43  1584.24 10951.43  1584.24 10951.43  1584.24  258.566   20.365  258.566   20.365 0.000000 0.000000 
1 1 1    0   23   46 o  152.681   6.3990  3597.71  297.013  3597.71  297.013  3597.71  297.013  152.681   6.3990  152.681   6.3990 -0.000000 0.000000 
1 1 1    0   24    1 o  260.787   18.211 10647.64  1433.35 10647.64  1433.35 10647.64  1433.35  260.787   18.211  260.787   18.211 0.000000 0.000000 
1 1 1    0   24    2 o  227.580   16.839  8109.61  1154.95  8109.61  1154.95  8109.61  1154.95  227.580   16.839  227.580   16.839 -0.000000 0.000000 
1 1 1    0   24    3 o  126.505   16.199  2580.42  597.399  2580.42  597.399  2580.42  597.399  126.505   16.199  126.505   16.199 -0.000000 0.000000 
1 1 1    0   24    4 o  224.306   16.506  7874.11  1116.01  7874.11  1116.01  7874.11  1116.01  224.306   16.506  224.306   16.506 -0.000000 0.000000 
1 1 1    0   24    5 o  176.351   13.747  4862.88  729.596  4862.88  729.596  4862.88  729.596  176.351   13.747  176.351   13.747 -0.000000 0.000000 
1 1 1    0   24    6 o  213.353   15.339  7110.42  987.024  7110.42  987.024  7110.42  987.024  213.353   15.339  213.353   15.339 -0.000000 0.000000 
1 1 1    0   24    7 o   62.251   16.459  706.352  270.180  706.352  270.180  706.352  270.180   62.251   16.459   62.251   16.459 -0.000000 0.000000 
1 1 1    0   24   11 f   68.379   14.941  812.142  273.112  812.142  273.112  812.142  273.112   68.379   14.941   68.379   14.941 -0.000000 0.000000 
1 1 1    0   24   12 o   47.718   17.499  467.154  235.376  467.154  235.376  467.154  235.376   47.718   17.499   47.718   17.499 0.000000 0.000000 
1 1 1    0   24   13 o  280.248   18.640 12293.46  1578.23 12293.46  1578.23 12293.46  1578.23  280.248   18.640  280.248   18.640 0.000000 0.000000 
1 1 1    0   24   14 o   19.692   12.902 -28.2433  193.160 -28.2433  193.160 -28.2433  193.160   19.692   12.902   19.692   12.902 -0.000000 0.000000 
1 1 1    0   24   15 o   59.879   16.625  663.390  262.823  663.390  262.823  663.390  262.823   59.879   16.625   59.879   16.625 -0.000000 0.000000 
1 1 1    0   24   16 o  154.646   13.109  3750.29  608.549  3750.29  608.549  3750.29  608.549  154.646   13.109  154.646   13.109 0.000000 0.000000 
1 1 1    0   24   17 o  108.867   4.8134  1820.87  159.229  1820.87  159.229  1820.87  159.229  108.867   4.8134  108.867   4.8134 0.000000 0.000000 
1 1 1    0   24   20 o   11.869   7.2751   17.402   50.578   17.402   50.578   17.402   50.578   11.869   7.2751   11.869   7.2751 -0.000000 0.000000 
1 1 1    0   24   25 o   24.813   15.483   58.272  239.158   58.272  239.158   58.272  239.158   24.813   15.483   24.813   15.483 0.000000 0.000000 
1 1 1    0   24   26 o  374.109   23.973 22141.78  2711.56 22141.78  2711.56 22141.78  2711.56  374.109   23.973  374.109   23.973 0.000000 0.000000 
1 1 1    0   24   27 f   40.582   6.5076  270.357   74.391  270.357   74.391  270.357   74.391   40.582   6.5076   40.582   6.5076 0.000000 0.000000 
1 1 1    0   24   28 o   8.6369   5.9843 -46.1520   54.446 -46.1520   54.446 -46.1520   54.446   8.6369   5.9843   8.6369   5.9843 0.000000 0.000000 
1 1 1    0   24   29 o  200.310   5.7880  6148.59  353.202  6148.59  353.202  6148.59  353.202  200.310   5.7880  200.310   5.7880 -0.000000 0.000000 
1 1 1    0   24   30 o  105.078   5.3536  1700.56  170.684  1700.56  170.684  1700.56  170.684  105.078   5.3536  105.078   5.3536 -0.000000 0.000000 
1 1 1    0   24   31 o   70.903   6.5681  788.471  139.337  788.471  139.337  788.471  139.337   70.903   6.5681   70.903   6.5681 -0.000000 0.000000 
1 1 1    0   24   32 o   94.923   14.752  1485.51  396.669  1485.51  396.669  1485.51  396.669   94.923   14.752   94.923   14.752 0.000000 0.000000 
1 1 1    0   24   33 f  192.385   6.3413  5680.29  371.447  5680.29  371.447  5680.29  371.447  192.385   6.3413  192.385   6.3413 -0.000000 0.000000 
1 1 1    0   24   34 o  316.918   9.1962 15448.17  887.857 15448.17  887.857 15448.17  887.857  316.918   9.1962  316.918   9.1962 0.000000 0.000000 
1 1 1    0   24   35 o   18.978   9.4534   81.295   66.490   81.295   66.490   81.295   66.490   18.978   9.4534   18.978   9.4534 0.000000 0.000000 
1 1 1    0   24   36 f  108.903   9.3929  1861.25  306.874  1861.25  306.874  1861.25  306.874  108.903   9.3929  108.903   9.3929 0.000000 0.000000 
1 1 1    0   24   37 o   73.075   3.6343  821.804   80.602  821.804   80.602  821.804   80.602   73.075   3.6343   73.075   3.6343 -0.000000 0.000000 
1 1 1    0   24   38 o  130.434   4.8713  2612.48  193.319  2612.48  193.319  2612.48  193.319  130.434   4.8713  130.434   4.8713 0.000000 0.000000 
1 1 1    0   24   39 o   31.940   17.458  226.231  242.718  226.231  242.718  226.231  242.718   31.940   17.458   31.940   17.458 -0.000000 0.000000 
1 1 1    0   24   40 o   98.814   13.343  1594.54  381.784  1594.54  381.784  1594.54  381.784   98.814   13.343   98.814   13.343 0.000000 0.000000 
1 1 1    0   24   41 o   59.002   17.946  674.632  282.180  674.632  282.180  674.632  282.180   59.002   17.946   59.002   17.946 -0.000000 0.000000 
1 1 1    0   24   42 o   26.909   15.608  142.704  209.623  142.704  209.623  142.704  209.623   26.909   15.608   26.909   15.608 0.000000 0.000000 
1 1 1    0   24   43 o   50.780   28.220  628.165  646.265  628.165  646.265  628.165  646.265   50.780   28.220   50.780   28.220 0.000000 0.000000 
1 1 1    0   24   44 o  173.916   19.005  5011.35  978.240  5011.35  978.240  5011.35  978.240  173.916   19.005  173.916   19.005 0.000000 0.000000 
1 1 1    0   25    0 o   71.686   21.814  979.167  416.748  979.167  416.748  979.167  416.748   71.686   21.814   71.686   21.814 -0.000000 0.000000 
1 1 1    0   25    1 o   32.028   20.246   68.631  423.482   68.631  423.482   68.631  423.482   32.028   20.246   32.028   20.246 -0.000000 0.000000 
1 1 1    0   25    3 o  127.895   16.533  2641.63  615.691  2641.63  615.691  2641.63  615.691  127.895   16.533  127.895   16.533 -0.000000 0.000000 
1 1 1    0   25    4 o  200.543   15.208  6293.80  918.559  6293.80  918.559  6293.80  918.559  200.543   15.208  200.543   15.208 -0.000000 0.000000 
1 1 1    0   25    5 o  202.303   14.872  6396.23  906.887  6396.23  906.887  6396.23  906.887  202.303   14.872  202.303   14.872 -0.000000 0.000000 
1 1 1    0   25    6 o   82.542   13.774  1128.89  317.964  1128.89  317.964  1128.89  317.964   82.542   13.774   82.542   13.774 0.000000 0.000000 
1 1 1    0   25    7 o   40.292   18.051  361.513  236.624  361.513  236.624  361.513  236.624   40.292   18.051   40.292   18.051 0.000000 0.000000 
1 1 1    0   25    8 o  185.026   14.184  5354.00  790.211  5354.00  790.211  5354.00  790.211  185.026   14.184  185.026   14.184 0.000000 0.000000 
1 1 1    0   25   13 o  123.599   12.439  2414.40  458.362  2414.40  458.362  2414.40  458.362  123.599   12.439  123.599   12.439 -0.000000 0.000000 
1 1 1    0   25   14 o  290.870   19.236 13257.55  1690.62 13257.55  1690.62 13257.55  1690.62  290.870   19.236  290.870   19.236 -0.000000 0.000000 
1 1 1    0   25   15 o   65.282   16.371  765.874  282.164  765.874  282.164  765.874  282.164   65.282   16.371   65.282   16.371 0.000000 0.000000 
1 1 1    0   25   16 o   6.8727   4.8845 -60.6419   43.920 -60.6419   43.920 -60.6419   43.920   6.8727   4.8845   6.8727   4.8845 0.000000 0.000000 
1 1 1    0   25   21 o  311.119   20.401 15215.25  1918.14 15215.25  1918.14 15215.25  1918.14  311.119   20.401  311.119   20.401 0.000000 0.000000 
1 1 1    0   25   22 o   42.879   19.072  409.562  264.208  409.562  264.208  409.562  264.208   42.879   19.072   42.879   19.072 -0.000000 0.000000 
1 1 1    0   25   23 o   31.903   17.542  219.091  246.735  219.091  246.735  219.091  246.735   31.903   17.542   31.903   17.542 0.000000 0.000000 
1 1 1    0   25   24 o  100.315   13.429  1627.83  390.516  1627.83  390.516  1627.83  390.516  100.315   13.429  100.315   13.429 0.000000 0.000000 
1 1 1    0   25   25 o  100.007   4.8118  1538.56  146.103  1538.56  146.103  1538.56  146.103  100.007   4.8118  100.007   4.8118 -0.000000 0.000000 
1 1 1    0   25   26 o   91.176   4.7887  1280.55  132.425  1280.55  132.425  1280.55  132.425   91.176   4.7887   91.176   4.7887 -0.000000 0.000000 
1 1 1    0   25   27 o   92.847   4.8092  1327.70  135.453  1327.70  135.453  1327.70  135.453   92.847   4.8092   92.847   4.8092 0.000000 0.000000 
1 1 1    0   25   28 o   30.272   17.399  180.709  256.807  180.709  256.807  180.709  256.807   30.272   17.399   30.272   17.399 -0.000000 0.000000 
1 1 1    0   25   29 f   31.967   17.866  216.013  260.700  216.013  260.700  216.013  260.700   31.967   17.866   31.967   17.866 0.000000 0.000000 
1 1 1    0   25   30 o  225.888   16.285  8027.64  1109.39  8027.64  1109.39  8027.64  1109.39  225.888   16.285  225.888   16.285 -0.000000 0.000000 
1 1 1    0   25   31 o  156.183   5.6320  3744.55  267.689  3744.55  267.689  3744.55  267.689  156.183   5.6320  156.183   5.6320 -0.000000 0.000000 
1 1 1    0   25   32 o  110.484   4.9728  1877.22  166.919  1877.22  166.919  1877.22  166.919  110.484   4.9728  110.484   4.9728 -0.000000 0.000000 
1 1 1    0   25   33 o   42.198   16.220  374.543  197.704  374.543  197.704  374.543  197.704   42.198   16.220   42.198   16.220 -0.000000 0.000000 
1 1 1    0   25   34 o  165.660   8.5785  4245.14  431.102  4245.14  431.102  4245.14  431.102  165.660   8.5785  165.660   8.5785 -0.000000 0.000000 
1 1 1    0   25   35 o  108.196   5.9218  1807.67  194.223  1807.67  194.223  1807.67  194.223  108.196   5.9218  108.196   5.9218 0.000000 0.000000 
1 1 1    0   25   36 o   55.976   11.291  536.878  170.931  536.878  170.931  536.878  170.931   55.976   11.291   55.976   11.291 0.000000 0.000000 
1 1 1    0   25   37 o   17.319   11.382 -24.4920  152.016 -24.4920  152.016 -24.4920  152.016   17.319   11.382   17.319   11.382 0.000000 0.000000 
1 1 1    0   25   38 o   34.961   18.963  276.829  284.273  276.829  284.273  276.829  284.273   34.961   18.963   34.961   18.963 -0.000000 0.000000 
1 1 1    0   25   39 o   26.926   16.271  115.915  245.288  115.915  245.288  115.915  245.288   26.926   16.271   26.926   16.271 0.000000 0.000000 
1 1 1    0   25   40 o   36.098   23.889 -75.4485  688.268 -75.4485  688.268 -75.4485  688.268   36.098   23.889   36.098   23.889 -0.000000 0.000000 
1 1 1    0   25   41 o  101.158   28.848  2033.88  771.875  2033.88  771.875  2033.88  771.875  101.158   28.848  101.158   28.848 -0.000000 0.000000 
1 1 1    0   25   42 o   53.549   29.242  725.066  680.273  725.066  680.273  725.066  680.273   53.549   29.242   53.549   29.242 -0.000000 0.000000 
1 1 1    0   26    0 o  269.349   18.731 11303.50  1522.78 11303.50  1522.78 11303.50  1522.78  269.349   18.731  269.349   18.731 -0.000000 0.000000 
1 1 1    0   26    3 o  181.661   15.364  5187.15  837.856  5187.15  837.856  5187.15  837.856  181.661   15.364  181.661   15.364 0.000000 0.000000 
1 1 1    0   26    4 o  394.311   25.090 24572.06  2991.66 24572.06  2991.66 24572.06  2991.66  394.311   25.090  394.311   25.090 -0.000000 0.000000 
1 1 1    0   26    5 o  100.374   13.122  1623.76  382.978  1623.76  382.978  1623.76  382.978  100.374   13.122  100.374   13.122 -0.000000 0.000000 
1 1 1    0   26    6 o  191.473   14.514  5734.74  836.999  5734.74  836.999  5734.74  836.999  191.473   14.514  191.473   14.514 -0.000000 0.000000 
1 1 1    0   26    7 f   26.795   15.852  123.730  223.514  123.730  223.514  123.730  223.514   26.795   15.852   26.795   15.852 0.000000 0.000000 
1 1 1    0   26    8 f  123.529   12.582  2413.98  463.094  2413.98  463.094  2413.98  463.094  123.529   12.582  123.529   12.582 0.000000 0.000000 
1 1 1    0   26    9 o  334.026   21.595 17542.72  2180.60 17542.72  2180.60 17542.72  2180.60  334.026   21.595  334.026   21.595 -0.000000 0.000000 
1 1 1    0   26   10 o  107.801   12.667  1856.08  401.705  1856.08  401.705  1856.08  401.705  107.801   12.667  107.801   12.667 0.000000 0.000000 
1 1 1    0   26   17 o   38.501   6.2285  243.565   67.448  243.565   67.448  243.565   67.448   38.501   6.2285   38.501   6.2285 0.000000 0.000000 
1 1 1    0   26   18 o   60.074   4.8711  562.114   87.966  562.114   87.966  562.114   87.966   60.074   4.8711   60.074   4.8711 0.000000 0.000000 
1 1 1    0   26   19 o   93.579   13.479  1426.85  361.792  1426.85  361.792  1426.85  361.792   93.579   13.479   93.579   13.479 0.000000 0.000000 
1 1 1    0   26   20 o   29.538   16.773  176.688  234.648  176.688  234.648  176.688  234.648   29.538   16.773   29.538   16.773 0.000000 0.000000 
1 1 1    0   26   21 o   87.250   14.148  1259.03  347.060  1259.03  347.060  1259.03  347.060   87.250   14.148   87.250   14.148 -0.000000 0.000000 
1 1 1    0   26   22 o   20.063   13.355 -65.3731  220.243 -65.3731  220.243 -65.3731  220.243   20.063   13.355   20.063   13.355 -0.000000 0.000000 
1 1 1    0   26   23 o   67.836   4.8002  713.589   98.246  713.589   98.246  713.589   98.246   67.836   4.8002   67.836   4.8002 -0.000000 0.000000 
1 1 1    0   26   24 o   8.8644   6.0476 -30.9532   50.786 -30.9532   50.786 -30.9532   50.786   8.8644   6.0476   8.8644   6.0476 -0.000000 0.000000 
1 1 1    0   26   25 o  142.166   5.3567  3102.44  231.689  3102.44  231.689  3102.44  231.689  142.166   5.3567  142.166   5.3567 -0.000000 0.000000 
1 1 1    0   26   26 o  229.079   16.360  8251.98  1130.51  8251.98  1130.51  8251.98  1130.51  229.079   16.360  229.079   16.360 0.000000 0.000000 
1 1 1    0   26   27 o  161.303   13.727  4100.38  664.554  4100.38  664.554  4100.38  664.554  161.303   13.727  161.303   13.727 0.000000 0.000000 
1 1 1    0   26   28 o  180.245   14.336  5114.99  777.219  5114.99  777.219  5114.99  777.219  180.245   14.336  180.245   14.336 -0.000000 0.000000 
1 1 1    0   26   29 o   57.866   5.0827  523.608   88.178  523.608   88.178  523.608   88.178   57.866   5.0827   57.866   5.0827 0.000000 0.000000 
1 1 1    0   26   30 o   67.691   4.8191  711.005   98.408  711.005   98.408  711.005   98.408   67.691   4.8191   67.691   4.8191 -0.000000 0.000000 
1 1 1    0   26   31 o   27.384   16.048  138.945  225.256  138.945  225.256  138.945  225.256   27.384   16.048   27.384   16.048 -0.000000 0.000000 
1 1 1    0   26   32 o   47.535   29.029  376.545  798.583  376.545  798.583  376.545  798.583   47.535   29.029   47.535   29.029 0.000000 0.000000 
1 1 1    0   26   33 o   27.906   14.451  176.824  158.827  176.824  158.827  176.824  158.827   27.906   14.451   27.906   14.451 0.000000 0.000000 
1 1 1    0   26   34 o   80.238   7.7245  1015.02  185.150  1015.02  185.150  1015.02  185.150   80.238   7.7245   80.238   7.7245 0.000000 0.000000 
1 1 1    0   26   35 o  101.564   6.8578  1603.32  210.364  1603.32  210.364  1603.32  210.364  101.564   6.8578  101.564   6.8578 -0.000000 0.000000 
1 1 1    0   26   36 o   47.995   20.659  519.289  310.604  519.289  310.604  519.289  310.604   47.995   20.659   47.995   20.659 -0.000000 0.000000 
1 1 1    0   26   39 o   40.121   25.838  121.971  729.247  121.971  729.247  121.971  729.247   40.121   25.838   40.121   25.838 -0.000000 0.000000 
1 1 1    0   26   40 o   93.593   31.348  1881.85  799.029  1881.85  799.029  1881.85  799.029   93.593   31.348   93.593   31.348 0.000000 0.000000 
1 1 1    0   27    0 o  263.906   18.632 10861.22  1483.66 10861.22  1483.66 10861.22  1483.66  263.906   18.632  263.906   18.632 0.000000 0.000000 
1 1 1    0   27    1 o  451.474   28.710 32519.07  3919.59 32519.07  3919.59 32519.07  3919.59  451.474   28.710  451.474   28.710 -0.000000 0.000000 
1 1 1    0   27    3 o  322.642   21.142 16378.40  2061.55 16378.40  2061.55 16378.40  2061.55  322.642   21.142  322.642   21.142 0.000000 0.000000 
1 1 1    0   27    4 o  204.083   15.051  6517.71  925.843  6517.71  925.843  6517.71  925.843  204.083   15.051  204.083   15.051 -0.000000 0.000000 
1 1 1    0   27    5 o  133.126   12.841  2797.21  510.603  2797.21  510.603  2797.21  510.603  133.126   12.841  133.126   12.841 0.000000 0.000000 
1 1 1    0   27   12 o  132.155   12.708  2757.07  501.694  2757.07  501.694  2757.07  501.694  132.155   12.708  132.155   12.708 0.000000 0.000000 
1 1 1    0   27   16 o  154.192   5.5384  3647.79  259.890  3647.79  259.890  3647.79  259.890  154.192   5.5384  154.192   5.5384 0.000000 0.000000 
1 1 1    0   27   17 f   55.235   5.0047  477.524   82.781  477.524   82.781  477.524   82.781   55.235   5.0047   55.235   5.0047 -0.000000 0.000000 
1 1 1    0   27   18 o   92.371   13.552  1394.40  357.987  1394.40  357.987  1394.40  357.987   92.371   13.552   92.371   13.552 -0.000000 0.000000 
1 1 1    0   27   19 o  118.155   12.778  2221.63  447.171  2221.63  447.171  2221.63  447.171  118.155   12.778  118.155   12.778 0.000000 0.000000 
1 1 1    0   27   20 o  205.358   15.200  6620.14  940.725  6620.14  940.725  6620.14  940.725  205.358   15.200  205.358   15.200 -0.000000 0.000000 
1 1 1    0   27   21 o  254.657   17.537 10205.19  1348.22 10205.19  1348.22 10205.19  1348.22  254.657   17.537  254.657   17.537 -0.000000 0.000000 
1 1 1    0   27   22 o  171.879   5.8840  4533.44  307.861  4533.44  307.861  4533.44  307.861  171.879   5.8840  171.879   5.8840 -0.000000 0.000000 
1 1 1    0   27   23 o  223.544   6.9749  7671.09  474.851  7671.09  474.851  7671.09  474.851  223.544   6.9749  223.544   6.9749 0.000000 0.000000 
1 1 1    0   27   24 o   70.576   4.7539  771.519  101.339  771.519  101.339  771.519  101.339   70.576   4.7539   70.576   4.7539 0.000000 0.000000 
1 1 1    0   27   25 o   74.283   15.800  958.636  314.897  958.636  314.897  958.636  314.897   74.283   15.800   74.283   15.800 -0.000000 0.000000 
1 1 1    0   27   26 o  100.747   13.291  1645.51  388.917  1645.51  388.917  1645.51  388.917  100.747   13.291  100.747   13.291 0.000000 0.000000 
1 1 1    0   27   27 o  140.981   12.556  3139.26  530.454  3139.26  530.454  3139.26  530.454  140.981   12.556  140.981   12.556 0.000000 0.000000 
1 1 1    0   27   28 o   10.938   6.9995   2.6893   52.476   2.6893   52.476   2.6893   52.476   10.938   6.9995   10.938   6.9995 0.000000 0.000000 
1 1 1    0   27   30 o  114.364   24.596  2336.34  753.537  2336.34  753.537  2336.34  753.537  114.364   24.596  114.364   24.596 -0.000000 0.000000 
1 1 1    0   27   31 o   26.344   15.083  140.140  191.824  140.140  191.824  140.140  191.824   26.344   15.083   26.344   15.083 0.000000 0.000000 
1 1 1    0   27   32 o  247.539   7.9871  9443.61  602.041  9443.61  602.041  9443.61  602.041  247.539   7.9871  247.539   7.9871 0.000000 0.000000 
1 1 1    0   27   33 o   82.356   8.5880  1076.78  210.500  1076.78  210.500  1076.78  210.500   82.356   8.5880   82.356   8.5880 -0.000000 0.000000 
1 1 1    0   27   37 o   77.616   33.890  1490.04  834.813  1490.04  834.813  1490.04  834.813   77.616   33.890   77.616   33.890 0.000000 0.000000 
1 1 1    0   28    5 o  206.312   15.214  6671.60  946.078  6671.60  946.078  6671.60  946.078  206.312   15.214  206.312   15.214 0.000000 0.000000 
1 1 1    0   28    6 o   28.315   16.542  148.321  238.038  148.321  238.038  148.321  238.038   28.315   16.542   28.315   16.542 0.000000 0.000000 
1 1 1    0   28    7 o  233.152   16.433  8525.92  1156.07  8525.92  1156.07  8525.92  1156.07  233.152   16.433  233.152   16.433 -0.000000 0.000000 
1 1 1    0   28    8 o  103.358   13.070  1719.58  394.388  1719.58  394.388  1719.58  394.388  103.358   13.070  103.358   13.070 -0.000000 0.000000 
1 1 1    0   28    9 o  141.266   12.967  3146.50  548.291  3146.50  548.291  3146.50  548.291  141.266   12.967  141.266   12.967 0.000000 0.000000 
1 1 1    0   28   10 o   24.666   15.147   76.702  220.114   76.702  220.114   76.702  220.114   24.666   15.147   24.666   15.147 0.000000 0.000000 
1 1 1    0   28   11 o  209.304   15.301  6871.10  965.480  6871.10  965.480  6871.10  965.480  209.304   15.301  209.304   15.301 0.000000 0.000000 
1 1 1    0   28   12 o  347.162   22.485 19103.29  2359.63 19103.29  2359.63 19103.29  2359.63  347.162   22.485  347.162   22.485 0.000000 0.000000 
1 1 1    0   28   13 o  193.913   14.682  5901.33  857.501  5901.33  857.501  5901.33  857.501  193.913   14.682  193.913   14.682 -0.000000 0.000000 
1 1 1    0   28   18 o   98.222   13.071  1562.74  372.456  1562.74  372.456  1562.74  372.456   98.222   13.071   98.222   13.071 0.000000 0.000000 
1 1 1    0   28   19 o   27.358   15.957  140.262  220.980  140.262  220.980  140.262  220.980   27.358   15.957   27.358   15.957 0.000000 0.000000 
1 1 1    0   28   20 o   72.123   15.500  905.098  299.508  905.098  299.508  905.098  299.508   72.123   15.500   72.123   15.500 0.000000 0.000000 
1 1 1    0   28   21 o   80.187   14.412  1082.84  318.852  1082.84  318.852  1082.84  318.852   80.187   14.412   80.187   14.412 0.000000 0.000000 
1 1 1    0   28   22 o   37.625   6.1712  233.242   65.141  233.242   65.141  233.242   65.141   37.625   6.1712   37.625   6.1712 0.000000 0.000000 
1 1 1    0   28   23 o   20.143   8.7061   88.783   55.125   88.783   55.125   88.783   55.125   20.143   8.7061   20.143   8.7061 -0.000000 0.000000 
1 1 1    0   28   24 o  249.563   17.381  9866.68  1309.22  9866.68  1309.22  9866.68  1309.22  249.563   17.381  249.563   17.381 0.000000 0.000000 
1 1 1    0   28   25 o   62.532   17.224  728.410  284.288  728.410  284.288  728.410  284.288   62.532   17.224   62.532   17.224 -0.000000 0.000000 
1 1 1    0   28   31 o   45.503   28.632  286.055  836.141  286.055  836.141  286.055  836.141   45.503   28.632   45.503   28.632 0.000000 0.000000 
1 1 1    0   28   32 o  121.978   28.737  2804.48  929.334  2804.48  929.334  2804.48  929.334  121.978   28.737  121.978   28.737 -0.000000 0.000000 
1 1 1    0   29    1 o  126.339   18.913  2636.91  681.146  2636.91  681.146  2636.91  681.146  126.339   18.913  126.339   18.913 0.000000 0.000000 
1 1 1    0   29    2 o  305.135   20.637 14736.88  1901.86 14736.88  1901.86 14736.88  1901.86  305.135   20.637  305.135   20.637 0.000000 0.000000 
1 1 1    0   29    3 o   81.045   14.776  1106.93  329.544  1106.93  329.544  1106.93  329.544   81.045   14.776   81.045   14.776 0.000000 0.000000 
1 1 1    0   29    4 o  235.509   16.581  8719.12  1178.33  8719.12  1178.33  8719.12  1178.33  235.509   16.581  235.509   16.581 0.000000 0.000000 
1 1 1    0   29    5 o   58.409   18.159  658.991  283.643  658.991  283.643  658.991  283.643   58.409   18.159   58.409   18.159 0.000000 0.000000 
1 1 1    0   29    6 o  233.113   16.463  8543.79  1157.94  8543.79  1157.94  8543.79  1157.94  233.113   16.463  233.113   16.463 -0.000000 0.000000 
1 1 1    0   29    7 o  119.085   12.796  2257.81  451.534  2257.81  451.534  2257.81  451.534  119.085   12.796  119.085   12.796 -0.000000 0.000000 
1 1 1    0   29    8 o  335.370   21.893 17862.07  2219.10 17862.07  2219.10 17862.07  2219.10  335.370   21.893  335.370   21.893 0.000000 0.000000 
1 1 1    0   29    9 o   91.520   13.451  1370.77  351.942  1370.77  351.942  1370.77  351.942   91.520   13.451   91.520   13.451 0.000000 0.000000 
1 1 1    0   29   10 o  150.182   13.103  3555.08  590.114  3555.08  590.114  3555.08  590.114  150.182   13.103  150.182   13.103 0.000000 0.000000 
1 1 1    0   29   11 o  152.748   5.5926  3581.93  259.947  3581.93  259.947  3581.93  259.947  152.748   5.5926  152.748   5.5926 0.000000 0.000000 
1 1 1    0   29   12 o   54.540   17.797  585.477  262.363  585.477  262.363  585.477  262.363   54.540   17.797   54.540   17.797 -0.000000 0.000000 
1 1 1    0   29   13 o   60.528   16.907  682.673  270.254  682.673  270.254  682.673  270.254   60.528   16.907   60.528   16.907 0.000000 0.000000 
1 1 1    0   29   14 o  195.865   14.738  6036.89  869.624  6036.89  869.624  6036.89  869.624  195.865   14.738  195.865   14.738 0.000000 0.000000 
1 1 1    0   29   15 o   31.736   16.952  225.316  223.927  225.316  223.927  225.316  223.927   31.736   16.952   31.736   16.952 0.000000 0.000000 
1 1 1    0   29   20 o  113.653   12.550  2066.91  421.790  2066.91  421.790  2066.91  421.790  113.653   12.550  113.653   12.550 0.000000 0.000000 
1 1 1    0   29   21 o   17.616   11.329   3.6538  139.570   3.6538  139.570   3.6538  139.570   17.616   11.329   17.616   11.329 -0.000000 0.000000 
1 1 1    0   30    0 o  273.416   19.208 11719.75  1584.81 11719.75  1584.81 11719.75  1584.81  273.416   19.208  273.416   19.208 0.000000 0.000000 
1 1 1    0   30    1 o  448.504   29.124 32862.26  3948.34 32862.26  3948.34 32862.26  3948.34  448.504   29.124  448.504   29.124 0.000000 0.000000 
1 1 1    0   30    2 o  220.365   12.096  7552.33  807.956  7552.33  807.956  7552.33  807.956  220.365   12.096  220.365   12.096 -0.000000 0.000000 
1 1 1    0   30    3 o  207.928   11.819  6725.48  744.538  6725.48  744.538  6725.48  744.538  207.928   11.819  207.928   11.819 -0.000000 0.000000 
1 1 1    0   30    4 o  146.358   16.307  3446.63  705.341  3446.63  705.341  3446.63  705.341  146.358   16.307  146.358   16.307 -0.000000 0.000000 
1 1 1    0   30    5 o  171.899   13.851  4656.70  715.865  4656.70  715.865  4656.70  715.865  171.899   13.851  171.899   13.851 -0.000000 0.000000 
1 1 1    0   30    6 o   75.129   15.118  970.100  307.294  970.100  307.294  970.100  307.294   75.129   15.118   75.129   15.118 0.000000 0.000000 
1 1 1    0   30    7 o  219.602   15.841  7605.92  1049.06  7605.92  1049.06  7605.92  1049.06  219.602   15.841  219.602   15.841 -0.000000 0.000000 
1 1 1    0   30    8 o   22.151   14.039   29.344  205.116   29.344  205.116   29.344  205.116   22.151   14.039   22.151   14.039 -0.000000 0.000000 
1 1 1    0   30    9 o  121.801   12.501  2360.37  453.523  2360.37  453.523  2360.37  453.523  121.801   12.501  121.801   12.501 0.000000 0.000000 
1 1 1    0   30   10 o  181.924   14.154  5218.19  775.016  5218.19  775.016  5218.19  775.016  181.924   14.154  181.924   14.154 0.000000 0.000000 
1 1 1    0   30   11 o   26.897   15.567  140.260  207.799  140.260  207.799  140.260  207.799   26.897   15.567   26.897   15.567 0.000000 0.000000 
1 1 1    0   30   13 o   45.013   18.010  436.023  240.038  436.023  240.038  436.023  240.038   45.013   18.010   45.013   18.010 0.000000 0.000000 
1 1 1    0   30   14 o   37.234   17.559  317.063  225.227  317.063  225.227  317.063  225.227   37.234   17.559   37.234   17.559 -0.000000 0.000000 
1 1 1    0   30   15 o   90.772   12.867  1347.66  335.810  1347.66  335.810  1347.66  335.810   90.772   12.867   90.772   12.867 -0.000000 0.000000 
1 1 1    0   30   16 o   21.072   13.419   21.212  189.991   21.212  189.991   21.212  189.991   21.072   13.419   21.072   13.419 0.000000 0.000000 
1 1 1    0   31    0 o   37.200   22.533  211.381  472.559  211.381  472.559  211.381  472.559   37.200   22.533   37.200   22.533 0.000000 0.000000 
1 1 1    0   31    1 o   36.900   21.655  264.091  411.194  264.091  411.194  264.091  411.194   36.900   21.655   36.900   21.655 -0.000000 0.000000 
1 1 1    0   31    2 o   55.048   21.082  645.329  334.490  645.329  334.490  645.329  334.490   55.048   21.082   55.048   21.082 -0.000000 0.000000 
1 1 1    0   31    3 o   25.434   16.608 -24.8500  316.068 -24.8500  316.068 -24.8500  316.068   25.434   16.608   25.434   16.608 0.000000 0.000000 
1 1 1    0   31    4 o   76.699   16.033  1023.48  330.743  1023.48  330.743  1023.48  330.743   76.699   16.033   76.699   16.033 -0.000000 0.000000 
1 1 1    0   31    5 o   73.932   24.215  1100.03  484.363  1100.03  484.363  1100.03  484.363   73.932   24.215   73.932   24.215 -0.000000 0.000000 
1 1 1    0   31    7 o   37.734   17.538  325.238  224.062  325.238  224.062  325.238  224.062   37.734   17.538   37.734   17.538 -0.000000 0.000000 
1 1 1    0   31    8 o   35.352   17.172  288.033  217.148  288.033  217.148  288.033  217.148   35.352   17.172   35.352   17.172 0.000000 0.000000 
1 1 1    0   31    9 o   50.947   17.168  520.302  238.645  520.302  238.645  520.302  238.645   50.947   17.168   50.947   17.168 0.000000 0.000000 
1 1 1    0   31   10 o   26.419   15.160  140.355  194.436  140.355  194.436  140.355  194.436   26.419   15.160   26.419   15.160 -0.000000 0.000000 
1 1 1    0   31   11 o   40.655   17.269  365.936  217.502  365.936  217.502  365.936  217.502   40.655   17.269   40.655   17.269 -0.000000 0.000000 
1 1 1    0   32    0 o  134.635   17.107  2942.50  672.054  2942.50  672.054  2942.50  672.054  134.635   17.107  134.635   17.107 -0.000000 0.000000 
1 1 1    0   32    1 o  198.613   16.151  6323.93  964.195  6323.93  964.195  6323.93  964.195  198.613   16.151  198.613   16.151 -0.000000 0.000000 
1 1 1    0   32    2 o  152.713   15.661  3771.58  712.380  3771.58  712.380  3771.58  712.380  152.713   15.661  152.713   15.661 -0.000000 0.000000 
1 1 1    0   32    3 o  176.758   15.770  5021.16  835.223  5021.16  835.223  5021.16  835.223  176.758   15.770  176.758   15.770 0.000000 0.000000 
1 1 1    0   32    4 o   85.988   21.732  1372.25  493.244  1372.25  493.244  1372.25  493.244   85.988   21.732   85.988   21.732 -0.000000 0.000000 
1 1 1    1    0    1 o  190.466   9.5238  5580.23  550.501  5580.23  550.501  5580.23  550.501  190.466   9.5238  190.466   9.5238 0.000000 0.000000 
1 1 1    1    0    2 o  563.262   15.316 48582.58  2628.73 48582.58  2628.73 48582.58  2628.73  563.262   15.316  563.262   15.316 -0.000000 0.000000 
1 1 1    1    0    3 o  703.462   28.998 76226.57  6202.22 76226.57  6202.22 76226.57  6202.22  703.462   28.998  703.462   28.998 -0.000000 0.000000 
1 1 1    1    0    4 o  217.341   4.2606  7217.93  282.390  7217.93  282.390  7217.93  282.390  217.341   4.2606  217.341   4.2606 0.000000 0.000000 
1 1 1    1    0    5 o  750.548   20.197 86338.62  4619.17 86338.62  4619.17 86338.62  4619.17  750.548   20.197  750.548   20.197 -0.000000 0.000000 
1 1 1    1    0    6 f  381.884   9.3336 22306.27  1086.45 22306.27  1086.45 22306.27  1086.45  381.884   9.3336  381.884   9.3336 -0.000000 0.000000 
1 1 1    1    0    7 o  452.611   10.632 31334.61  1466.99 31334.61  1466.99 31334.61  1466.99  452.611   10.632  452.611   10.632 -0.000000 0.000000 
1 1 1    1    0    8 o  1382.32   37.017 294512.31 15592.90 294512.31 15592.90 294512.31 15592.90  1382.32   37.017  1382.32   37.017 0.000000 0.000000 
1 1 1    1    0    9 o  1105.90   19.011 187219.20  6412.93 187219.20  6412.93 187219.20  6412.93  1105.90   19.011  1105.90   19.011 0.000000 0.000000 
1 1 1    1    0   10 o  155.065   3.0869  3674.14  145.971  3674.14  145.971  3674.14  145.971  155.065   3.0869  155.065   3.0869 0.000000 0.000000 
1 1 1    1    0   11 o  643.338   15.309 63374.11  3002.24 63374.11  3002.24 63374.11  3002.24  643.338   15.309  643.338   15.309 0.000000 0.000000 
1 1 1    1    0   12 o  927.451   14.154 131569.80  4004.66 131569.80  4004.66 131569.80  4004.66  927.451   14.154  927.451   14.154 -0.000000 0.000000 
1 1 1    1    0   13 o  303.730   5.6961 14097.75  527.646 14097.75  527.646 14097.75  527.646  303.730   5.6961  303.730   5.6961 -0.000000 0.000000 
1 1 1    1    0   14 o   42.255   1.9928  274.314   25.571  274.314   25.571  274.314   25.571   42.255   1.9928   42.255   1.9928 -0.000000 0.000000 
1 1 1    1    0   15 o   25.859   2.7564  105.494   21.134  105.494   21.134  105.494   21.134   25.859   2.7564   25.859   2.7564 -0.000000 0.000000 
1 1 1    1    0   16 o   92.776   2.4716  1316.50   69.878  1316.50   69.878  1316.50   69.878   92.776   2.4716   92.776   2.4716 -0.000000 0.000000 
1 1 1    1    0   17 o  187.864   3.5111  5392.64  201.167  5392.64  201.167  5392.64  201.167  187.864   3.5111  187.864   3.5111 -0.000000 0.000000 
1 1 1    1    0   18 o  359.950   5.7307 19796.48  629.240 19796.48  629.240 19796.48  629.240  359.950   5.7307  359.950   5.7307 0.000000 0.000000 
1 1 1    1    0   19 o  582.510   11.168 51914.54  1984.03 51914.54  1984.03 51914.54  1984.03  582.510   11.168  582.510   11.168 -0.000000 0.000000 
1 1 1    1    0   20 f  584.971   14.160 52416.01  2524.90 52416.01  2524.90 52416.01  2524.90  584.971   14.160  584.971   14.160 0.000000 0.000000 
1 1 1    1    0   21 o   82.941   2.9706  1053.94   74.984  1053.94   74.984  1053.94   74.984   82.941   2.9706   82.941   2.9706 0.000000 0.000000 
1 1 1    1    0   22 o  703.005   17.073 75713.39  3658.49 75713.39  3658.49 75713.39  3658.49  703.005   17.073  703.005   17.073 -0.000000 0.000000 
1 1 1    1    0   23 o  338.629   8.8449 17544.74  912.778 17544.74  912.778 17544.74  912.778  338.629   8.8449  338.629   8.8449 -0.000000 0.000000 
1 1 1    1    0   24 o   59.947   3.1329  552.949   56.966  552.949   56.966  552.949   56.966   59.947   3.1329   59.947   3.1329 -0.000000 0.000000 
1 1 1    1    0   25 o  500.729   9.6843 38329.02  1478.83 38329.02  1478.83 38329.02  1478.83  500.729   9.6843  500.729   9.6843 -0.000000 0.000000 
1 1 1    1    0   26 o  167.194   3.7038  4272.73  188.802  4272.73  188.802  4272.73  188.802  167.194   3.7038  167.194   3.7038 -0.000000 0.000000 
1 1 1    1    0   27 o   39.614   4.9028  250.320   56.840  250.320   56.840  250.320   56.840   39.614   4.9028   39.614   4.9028 0.000000 0.000000 
1 1 1    1    0   28 o  317.119   4.5341 15358.80  438.661 15358.80  438.661 15358.80  438.661  317.119   4.5341  317.119   4.5341 0.000000 0.000000 
1 1 1    1    0   29 o  1092.16   16.677 182508.41  5556.44 182508.41  5556.44 182508.41  5556.44  1092.16   16.677  1092.16   16.677 0.000000 0.000000 
1 1 1    1    0   30 o  313.908   5.2117 15053.33  499.033 15053.33  499.033 15053.33  499.033  313.908   5.2117  313.908   5.2117 0.000000 0.000000 
1 1 1    1    0   31 o  462.842   7.1255 32728.33  1006.09 32728.33  1006.09 32728.33  1006.09  462.842   7.1255  462.842   7.1255 -0.000000 0.000000 
1 1 1    1    0   32 o  426.420   26.381 28212.05  3403.40 28212.05  3403.40 28212.05  3403.40  426.420   26.381  426.420   26.381 -0.000000 0.000000 
1 1 1    1    0   33 o  295.773   8.6324 13392.77  777.808 13392.77  777.808 13392.77  777.808  295.773   8.6324  295.773   8.6324 0.000000 0.000000 
1 1 1    1    0   34 o  100.851   3.4552  1557.82  106.074  1557.82  106.074  1557.82  106.074  100.851   3.4552  100.851   3.4552 -0.000000 0.000000 
1 1 1    1    0   35 o  636.789   11.665 62025.94  2265.47 62025.94  2265.47 62025.94  2265.47  636.789   11.665  636.789   11.665 -0.000000 0.000000 
1 1 1    1    0   36 f  287.322   4.8646 12612.70  426.336 12612.70  426.336 12612.70  426.336  287.322   4.8646  287.322   4.8646 -0.000000 0.000000 
1 1 1    1    0   37 o  362.068   13.046 20127.60  1437.48 20127.60  1437.48 20127.60  1437.48  362.068   13.046  362.068   13.046 0.000000 0.000000 
1 1 1    1    0   38 o  254.973   4.3249  9932.91  336.365  9932.91  336.365  9932.91  336.365  254.973   4.3249  254.973   4.3249 0.000000 0.000000 
1 1 1    1    0   39 o  503.792   6.9031 38789.58  1061.03 38789.58  1061.03 38789.58  1061.03  503.792   6.9031  503.792   6.9031 -0.000000 0.000000 
1 1 1    1    0   40 o   46.680   3.4109  337.928   48.002  337.928   48.002  337.928   48.002   46.680   3.4109   46.680   3.4109 0.000000 0.000000 
1 1 1    1    0   41 o  180.821   8.2626  5029.09  453.847  5029.09  453.847  5029.09  453.847  180.821   8.2626  180.821   8.2626 0.000000 0.000000 
1 1 1    1    0   42 o  134.132   3.5962  2752.53  146.989  2752.53  146.989  2752.53  146.989  134.132   3.5962  134.132   3.5962 -0.000000 0.000000 
1 1 1    1    0   43 o  348.294   7.0537 18561.36  749.166 18561.36  749.166 18561.36  749.166  348.294   7.0537  348.294   7.0537 0.000000 0.000000 
1 1 1    1    0   44 o  534.410   10.111 43763.31  1647.93 43763.31  1647.93 43763.31  1647.93  534.410   10.111  534.410   10.111 -0.000000 0.000000 
1 1 1    1    0   45 o   38.594   5.1664  239.425   57.800  239.425   57.800  239.425   57.800   38.594   5.1664   38.594   5.1664 0.000000 0.000000 
1 1 1    1    0   46 o  209.808   5.6536  6739.61  361.451  6739.61  361.451  6739.61  361.451  209.808   5.6536  209.808   5.6536 -0.000000 0.000000 
1 1 1    1    0   47 o  355.371   5.6559 19309.09  613.134 19309.09  613.134 19309.09  613.134  355.371   5.6559  355.371   5.6559 -0.000000 0.000000 
1 1 1    1    0   48 o  297.818   6.1500 13571.58  558.499 13571.58  558.499 13571.58  558.499  297.818   6.1500  297.818   6.1500 -0.000000 0.000000 
1 1 1    1    0   49 o  232.506   6.5877  8282.98  466.652  8282.98  466.652  8282.98  466.652  232.506   6.5877  232.506   6.5877 0.000000 0.000000 
1 1 1    1    0   50 o  168.438   4.9049  4344.63  251.684  4344.63  251.684  4344.63  251.684  168.438   4.9049  168.438   4.9049 -0.000000 0.000000 
1 1 1    1    0   51 o  120.025   2.6695  2202.38   97.687  2202.38   97.687  2202.38   97.687  120.025   2.6695  120.025   2.6695 -0.000000 0.000000 
1 1 1    1    0   52 o  374.168   5.2967 21402.18  604.635 21402.18  604.635 21402.18  604.635  374.168   5.2967  374.168   5.2967 0.000000 0.000000 
1 1 1    1    0   53 f   38.066   17.593  325.883  225.335  325.883  225.335  325.883  225.335   38.066   17.593   38.066   17.593 0.000000 0.000000 
1 1 1    1    0   54 o  475.933   8.9522 34726.30  1299.40 34726.30  1299.40 34726.30  1299.40  475.933   8.9522  475.933   8.9522 0.000000 0.000000 
1 1 1    1    0   55 o  281.636   4.7979 12128.65  412.164 12128.65  412.164 12128.65  412.164  281.636   4.7979  281.636   4.7979 0.000000 0.000000 
1 1 1    1    0   56 o  432.870   27.746 30056.17  3631.25 30056.17  3631.25 30056.17  3631.25  432.870   27.746  432.870   27.746 0.000000 0.000000 
1 1 1    1    0   57 f   54.213   5.9646  465.440   95.649  465.440   95.649  465.440   95.649   54.213   5.9646   54.213   5.9646 -0.000000 0.000000 
1 1 1    1    0   58 f  129.346   3.1787  2559.49  125.320  2559.49  125.320  2559.49  125.320  129.346   3.1787  129.346   3.1787 0.000000 0.000000 
1 1 1    1    0   59 o  211.670   6.7623  6880.41  435.881  6880.41  435.881  6880.41  435.881  211.670   6.7623  211.670   6.7623 -0.000000 0.000000 
1 1 1    1    0   60 o   90.896   3.4555  1267.56   95.553  1267.56   95.553  1267.56   95.553   90.896   3.4555   90.896   3.4555 -0.000000 0.000000 
1 1 1    1    0   61 o  451.625   8.2029 31351.40  1129.90 31351.40  1129.90 31351.40  1129.90  451.625   8.2029  451.625   8.2029 0.000000 0.000000 
1 1 1    1    0   62 o   54.374   3.7478  458.270   61.521  458.270   61.521  458.270   61.521   54.374   3.7478   54.374   3.7478 -0.000000 0.000000 
1 1 1    1    0   63 o  202.842   4.5404  6304.60  280.787  6304.60  280.787  6304.60  280.787  202.842   4.5404  202.842   4.5404 0.000000 0.000000 
1 1 1    1    0   64 o   9.1823   6.1882 -22.2545   50.008 -22.2545   50.008 -22.2545   50.008   9.1823   6.1882   9.1823   6.1882 -0.000000 0.000000 
1 1 1    1    0   65 o   62.610   4.2983  608.356   81.251  608.356   81.251  608.356   81.251   62.610   4.2983   62.610   4.2983 0.000000 0.000000 
1 1 1    1    1    0 o  805.274   48.074 101154.40 11719.65 101154.40 11719.65 101154.40 11719.65  805.274   48.074  805.274   48.074 0.000000 0.000000 
1 1 1    1    1    1 o  265.161   17.171 10806.82  1382.22 10806.82  1382.22   0.0000   0.0000  265.161   17.171  ?   ?  0.000000 17.17067 
1 1 1    1    1    2 o  187.894   5.6157  5389.56  322.060  5687.96  773.543  5326.98  354.220  192.431   13.251  186.794   6.2129 5.637299 14.63518 
1 1 1    1    1    3 o  513.201   2.4901 40196.55  390.048 40196.55  390.048   0.0000   0.0000  513.201   2.4901  ?   ?  0.000000 2.490085 
1 1 1    1    1    4 o  639.046   11.205 62404.42  2185.62 62073.63  2628.99 63144.66  3932.79  637.161   13.518  641.905   20.073 -4.743347 24.20064 
1 1 1    1    1    5 o  633.680   8.5366 61327.99  1651.09 63559.38  2714.17 60017.16  2080.28  644.708   13.793  626.722   10.875 17.98621 17.56449 
1 1 1    1    1    6 o  264.198   4.6118 10654.76  371.888 10079.22  505.987 11330.92  548.432  256.935   6.4521  272.419   6.5958 -15.48444 9.226810 
1 1 1    1    1    7 o  214.367   4.6530  7014.69  304.444  6656.18  520.774  7200.82  375.245  208.765   8.1729  217.180   5.6608 -8.415009 9.941850 
1 1 1    1    1    8 o  313.256   5.3481 14980.64  511.346 15141.02  723.252 14820.34  723.052  314.877   7.5254  311.523   7.6044 3.354401 10.69852 
1 1 1    1    1    9 o  755.127   10.665 87142.50  2458.02 84779.32  2615.35 105031.40  7195.69  744.733   11.506  825.496   28.559 -80.76245 30.78938 
1 1 1    1    1   10 o  694.740   11.412 73786.13  2419.85 72810.23  2641.73 78874.66  6032.29  690.008   12.543  715.332   27.629 -25.32422 30.34259 
1 1 1    1    1   11 o  1410.18   16.230 304624.09  6985.78 270124.09 10722.56 330067.31  9208.21  1323.79   26.538  1466.22   20.576 -142.4385 33.58001 
1 1 1    1    1   12 o  518.210   5.9422 41005.89  939.870 41723.94  1244.97 40054.37  1433.16  522.620   7.8047  511.962   9.1715 10.65851 12.04282 
1 1 1    1    1   13 o  561.226   6.9556 48112.20  1191.49 47626.87  1685.00 48597.57  1685.05  558.130   9.8912  563.799   9.7920 -5.669312 13.91825 
1 1 1    1    1   14 o  188.648   2.7825  5432.07  160.217  5840.36  276.724  5226.19  196.502  195.580   4.6356  185.030   3.4794 10.55022 5.796129 
1 1 1    1    1   15 o  531.460   7.3475 43163.51  1191.86 42841.40  1542.38 43640.95  1877.78  529.226   9.5484  533.863   11.524 -4.637085 14.96568 
1 1 1    1    1   16 o  300.817   4.6037 13817.94  422.692 13832.71  675.689 13808.44  541.797  300.843   7.3585  300.658   5.9040 0.1849365 9.434257 
1 1 1    1    1   17 o  280.090   4.4123 11978.82  377.203 12009.81  483.303 11930.53  603.336  280.404   5.6470  279.407   7.0747 0.9969177 9.052038 
1 1 1    1    1   18 o  614.288   7.9707 57682.20  1494.46 56782.75  2222.64 58424.36  2018.99  608.857   11.960  617.821   10.707 -8.963989 16.05234 
1 1 1    1    1   19 o  356.657   5.4290 19425.71  590.996 18922.98  993.327 19701.19  735.299  351.790   9.2511  359.114   6.7083 -7.324463 11.42732 
1 1 1    1    1   20 o  421.506   6.6012 27136.79  849.263 27619.91  1076.19 26339.30  1382.69  425.139   8.2935  414.966   10.917 10.17328 13.70981 
1 1 1    1    1   21 o  407.988   5.5776 25415.61  694.561 25553.56  958.584 25263.14  1007.78  409.002   7.6787  406.648   8.1195 2.353790 11.17535 
1 1 1    1    1   22 o  654.986   8.8230 65543.15  1763.86 65259.58  2036.73 66393.88  3527.75  653.445   10.212  658.154   17.561 -4.708862 20.31446 
1 1 1    1    1   23 f  159.109   2.6844  3863.84  130.367  3718.01  180.003  4024.73  189.064  156.071   3.7787  162.380   3.8147 -6.309845 5.369389 
1 1 1    1    1   24 o  119.647   2.4388  2184.86   89.062  2196.42  178.800  2181.05  102.710  119.950   4.8837  119.541   2.8150 0.4085236 5.636934 
1 1 1    1    1   25 f  399.861   6.2593 24412.47  763.927 24358.67  967.812 24501.39  1244.26  399.362   7.9398  400.431   10.180 -1.069305 12.91047 
1 1 1    1    1   26 o  821.910   8.9466 103195.80  2244.39 102836.50  3174.06 103555.10  3174.03  820.071   12.681  822.937   12.637 -2.866028 17.90207 
1 1 1    1    1   27 o  330.903   3.8004 16713.52  383.840 16749.06  533.873 16675.49  552.255  331.227   5.2808  330.494   5.4747 0.7326050 7.606485 
1 1 1    1    1   28 o  249.891   3.7749  9531.71  287.923  9864.04  454.211  9308.46  372.274  254.177   5.8547  246.931   4.9394 7.245834 7.659945 
1 1 1    1    1   29 o  564.148   6.2496 48596.31  1076.13 48842.87  1521.78 48349.69  1521.97  565.428   8.8177  562.563   8.8638 2.864990 12.50275 
1 1 1    1    1   30 o  124.808   2.2185  2377.38   84.511  2370.99  110.451  2386.40  131.259  124.637   2.9034  125.038   3.4393 -0.4014359 4.500946 
1 1 1    1    1   31 o  606.942   9.0284 56285.91  1672.53 57326.92  2811.45 55715.68  2080.78  611.881   15.054  603.657   11.293 8.223694 18.81901 
1 1 1    1    1   32 o  922.737   16.208 130458.60  4564.96 135689.30  6456.04 125228.70  6455.60  939.317   22.518  902.094   23.446 37.22290 32.50828 
1 1 1    1    1   33 o  630.355   12.047 60780.20  2317.78 62752.83  3277.76 58807.38  3277.92  639.807   16.785  619.274   17.342 20.53326 24.13435 
1 1 1    1    1   34 o  719.451   10.805 79151.33  2372.71 79087.26  2454.96 80059.72  9243.85  719.108   11.185  712.065   42.730 7.043274 44.16931 
1 1 1    1    1   35 o  566.568   8.6061 49057.00  1488.26 50033.34  1793.54 46898.55  2666.75  572.008   10.273  553.046   15.798 18.96198 18.84439 
1 1 1    1    1   36 f  341.487   5.3137 17807.39  553.842 18037.15  930.768 17681.45  689.117  343.496   8.8778  340.219   6.6362 3.276276 11.08391 
1 1 1    1    1   37 o  415.082   6.9518 26326.57  880.738 27514.77  1870.89 25988.27  998.273  423.469   14.475  412.329   7.9321 11.13980 16.50563 
1 1 1    1    1   38 o   76.886   1.8617  902.264   43.689  921.560   65.763  887.020   58.452   77.699   2.7730   76.231   2.5122 1.468346 3.741731 
1 1 1    1    1   39 o  518.748   5.0060 41105.52  792.611 41383.51  1120.83 40827.45  1121.01  520.262   7.0583  516.748   7.1074 3.513794 10.01677 
1 1 1    1    1   40 o  209.348   2.6858  6690.52  171.618  6912.69  287.871  6568.03  213.758  212.739   4.4334  207.405   3.3767 5.334686 5.572837 
1 1 1    1    1   41 o  510.873   6.4946 39910.50  1012.71 39874.56  1089.62 40138.46  2744.10  510.561   6.9922  509.066   17.661 1.494995 18.99454 
1 1 1    1    1   42 o  263.463   3.4399 10599.62  276.617 10664.24  364.104 10511.40  425.403  264.207   4.5151  262.253   5.3145 1.953217 6.973505 
1 1 1    1    1   43 o   51.372   2.5834  403.919   40.379  426.224   66.781  391.065   50.695   52.656   4.1898   50.498   3.3074 2.158134 5.337909 
1 1 1    1    1   44 o  470.892   6.0854 33913.52  874.638 35670.85  1579.74 33136.71  1050.31  481.833   10.742  465.227   7.3967 16.60657 13.04200 
1 1 1    1    1   45 o  523.388   7.8506 41966.11  1254.13 44524.99  2108.72 40565.66  1560.01  537.383   12.856  513.987   9.9440 23.39581 16.25327 
1 1 1    1    1   46 o  375.039   5.1332 21502.71  587.602 21766.86  695.980 20847.08  1096.47  377.210   6.0450  368.447   9.7500 8.762970 11.47194 
1 1 1    1    1   47 o  427.669   5.1102 27962.90  667.058 27934.55  866.880 28004.05  1044.47  427.187   6.6485  427.426   8.0060 -0.2394714 10.40670 
1 1 1    1    1   48 o  314.129   4.5516 15081.40  436.406 14489.25  874.620 15277.70  503.573  307.180   9.3284  316.094   5.2195 -8.913879 10.68938 
1 1 1    1    1   49 o  230.307   3.8496  8103.42  270.606  8002.99  457.090  8157.62  335.772  228.643   6.5498  231.010   4.7621 -2.367081 8.097950 
1 1 1    1    1   50 o  381.848   4.3221 22282.32  503.733 21968.73  845.056 22455.16  627.381  378.670   7.3115  383.184   5.3642 -4.514313 9.068249 
1 1 1    1    1   51 o  187.589   2.7456  5373.35  157.205  5223.44  209.690  5565.74  237.551  184.910   3.7153  190.853   4.0779 -5.942581 5.516647 
1 1 1    1    1   52 o   56.529   2.7114  487.957   46.783  505.190   60.041  461.325   74.638   57.406   3.4425   54.753   4.5061 2.652985 5.670668 
1 1 1    1    1   53 o  412.091   5.0442 25969.93  634.455 24880.09  974.730 26771.10  835.732  402.741   7.9294  418.104   6.5489 -15.36273 10.28412 
1 1 1    1    1   54 o   86.495   3.0339  1142.65   80.095  1006.03  139.624  1209.66   97.784   80.880   5.6922   88.980   3.6004 -8.100449 6.735291 
1 1 1    1    1   55 o  182.988   2.7522  5113.73  153.715  4946.92  321.873  5163.01  174.955  179.754   5.8666  183.849   3.1178 -4.094910 6.643638 
1 1 1    1    1   56 o  104.825   4.8858  1681.00  156.322  1855.97  373.087  1643.74  172.163  108.997   11.382  103.482   5.4702 5.514778 12.62861 
1 1 1    1    1   57 o   95.683   2.5635  1398.22   74.867  1411.16   88.268  1365.05  141.335   96.112   3.0089   94.321   4.9264 1.790764 5.772655 
1 1 1    1    1   58 o  146.029   2.3122  3256.53  103.059  3135.78  145.105  3379.44  146.398  143.247   3.3188  148.714   3.2253 -5.466995 4.627828 
1 1 1    1    1   59 o  186.674   3.5902  5327.57  204.561  5392.77  353.838  5294.84  250.702  187.485   6.1833  186.015   4.4156 1.470016 7.598108 
1 1 1    1    1   60 o  140.059   2.6913  2997.14  115.049  3014.22  137.954  2958.11  208.492  140.423   3.2187  138.960   4.9157 1.463989 5.875697 
1 1 1    1    1   61 o  125.693   2.3888  2413.58   91.644  2535.97  118.110  2228.43  145.273  128.802   3.0043  120.668   3.9444 8.134033 4.958235 
1 1 1    1    1   62 o  117.703   2.3935  2116.85   85.987  2224.09  171.866  2081.05   99.310  120.443   4.6751  116.678   2.7886 3.764503 5.443605 
1 1 1    1    1   63 o   83.338   2.3941  1061.40   60.898  1068.57   76.386  1048.88  100.880   83.586   2.9941   82.742   3.9945 0.8443604 4.992062 
1 1 1    1    1   64 o   70.932   4.1694  774.161   89.872  774.161   89.872   0.0000   0.0000   70.932   4.1694  ?   ?  0.000000 4.169444 
1 1 1    1    1   65 o   11.764   5.2065 -12.2181   36.946   46.200   83.387 -26.4877   41.212   21.932   8.5812   11.576   5.2772 10.35524 10.07401 
1 1 1    1    2    0 o  501.058   30.345 38912.94  4601.79 38912.94  4601.79 38912.94  4601.79  501.058   30.345  501.058   30.345 -0.000000 0.000000 
1 1 1    1    2    1 o  942.333   56.633 140445.70 16213.23 140445.70 16213.23   0.0000   0.0000  942.333   56.633  ?   ?  0.000000 56.63288 
1 1 1    1    2    2 o  296.997   8.5589 13471.63  775.865 13471.63  775.865   0.0000   0.0000  296.997   8.5589  ?   ?  0.000000 8.558886 
1 1 1    1    2    3 o  476.103   9.5876 34626.20  1393.24 32861.19  2072.11 36082.58  1882.24  463.513   14.646  485.836   12.693 -22.32333 19.38129 
1 1 1    1    2    4 o  135.264   2.8739  2792.46  118.649  2863.03  151.970  2682.28  189.882  136.959   3.6354  132.559   4.6931 4.400040 5.936419 
1 1 1    1    2    5 o  790.290   13.269 95495.69  3200.70 90690.63  4354.64 101141.80  4720.40  769.457   18.542  812.504   19.034 -43.04669 26.57253 
1 1 1    1    2    6 o  798.087   12.032 97360.92  2931.04 95156.20  3131.55 112942.00  8324.93  788.892   13.005  855.455   31.883 -66.56323 34.43398 
1 1 1    1    2    7 o  344.715   6.5772 18143.55  692.023 16842.88  935.120 19718.28  1028.93  332.050   9.2267  359.271   9.3831 -27.22144 13.15959 
1 1 1    1    2    8 o  901.835   23.144 124917.70  6370.77 122692.50 10073.30 126401.00  8224.49  889.315   37.111  905.284   29.765 -15.96948 47.57272 
1 1 1    1    2    9 o  1470.67   42.281 337616.19 18979.38 291847.00 23244.48 429164.41 32874.44  1355.83   56.169  1632.17   65.990 -276.3387 86.65775 
1 1 1    1    2   10 o  552.196   6.2282 46559.29  1049.71 49635.02  1411.49 42753.00  1570.20  570.038   8.1125  528.941   9.7259 41.09729 12.66518 
1 1 1    1    2   11 o  549.022   6.7659 46032.65  1133.79 49746.50  2045.99 44386.77  1362.04  570.344   11.753  539.026   8.2787 31.31824 14.37608 
1 1 1    1    2   12 o  872.327   13.764 116508.20  3664.65 115150.60  4158.71 121224.90  7751.87  866.803   15.719  885.021   28.697 -18.21777 32.71999 
1 1 1    1    2   13 o  586.931   5.5600 52605.73  996.039 54623.76  1408.66 50587.96  1408.57  597.910   7.7189  575.370   8.0207 22.53925 11.13160 
1 1 1    1    2   14 f  465.091   4.9512 33030.08  702.857 33819.30  890.666 31727.34  1144.31  470.538   6.2016  455.598   8.2290 14.94009 10.30415 
1 1 1    1    2   15 o  632.878   8.2131 61234.30  1586.52 61565.20  2194.10 60871.70  2296.78  634.078   11.337  630.382   11.937 3.696533 16.46271 
1 1 1    1    2   16 o  360.677   4.4843 19863.98  493.663 19847.02  757.869 19876.49  650.627  360.387   6.8898  360.717   5.9095 -0.3299561 9.076974 
1 1 1    1    2   17 o  378.092   4.6535 21829.35  537.020 20892.21  866.802 22413.13  684.134  369.698   7.6817  383.049   5.8515 -13.35034 9.656528 
1 1 1    1    2   18 o  669.254   9.2913 68501.11  1897.96 71483.13  3120.14 66749.63  2391.24  682.503   14.978  660.198   11.867 22.30426 19.10912 
1 1 1    1    2   19 o   23.332   3.3246   84.773   23.006  101.294   29.198   57.723   37.362   25.469   3.8785   19.377   5.8365 6.091623 7.007713 
1 1 1    1    2   20 o  561.633   7.6157 48189.35  1305.50 49713.27  1846.28 46665.52  1846.23  570.161   10.609  552.370   10.951 17.79059 15.24701 
1 1 1    1    2   21 o  159.558   3.8205  3886.18  186.061  3982.14  252.129  3771.43  275.709  161.502   5.1148  157.162   5.7476 4.339310 7.693880 
1 1 1    1    2   22 o  250.332   3.7549  9565.41  286.903  9590.56  331.296  9489.96  573.761  250.653   4.3304  249.269   7.5413 1.383621 8.696169 
1 1 1    1    2   23 o  278.805   3.9879 11865.22  339.362 11806.43  468.372 11930.19  492.389  278.087   5.5181  279.535   5.7710 -1.448517 7.984665 
1 1 1    1    2   24 f  891.679   11.222 121529.20  3054.16 122450.00  5834.94 121181.70  3584.39  893.218   21.402  890.138   13.193 3.080139 25.14190 
1 1 1    1    2   25 o  354.515   5.4752 19187.36  592.445 19854.09  996.437 18822.79  736.828  360.508   9.0556  351.094   6.8758 9.413635 11.37019 
1 1 1    1    2   26 o  322.846   4.0679 15909.90  400.853 16339.88  615.843 15593.82  528.021  327.136   6.1677  319.598   5.4129 7.538391 8.206100 
1 1 1    1    2   27 o  461.713   6.1873 32549.46  871.950 31267.76  1233.15 33831.05  1233.10  452.412   8.9303  470.609   8.5846 -18.19702 12.38730 
1 1 1    1    2   28 o  631.382   8.1373 60890.72  1568.15 59184.77  2118.56 62958.08  2332.21  622.235   11.155  641.690   11.908 -19.45526 16.31641 
1 1 1    1    2   29 o  824.699   10.567 103954.40  2659.85 99060.53  3761.42 108849.10  3761.77  804.376   15.321  843.303   14.615 -38.92749 21.17336 
1 1 1    1    2   30 o  128.622   2.7187  2525.01  106.731  2476.50  284.329  2532.96  115.152  127.126   7.3592  128.823   2.9286 -1.697525 7.920546 
1 1 1    1    2   31 o  803.014   13.381 98668.77  3279.68 101003.20  4837.29 96682.70  4461.76  811.250   19.536  793.958   18.412 17.29218 26.84464 
1 1 1    1    2   32 o  593.825   8.6781 53877.18  1572.90 55891.02  2644.81 52775.14  1956.50  604.219   14.341  587.524   10.910 16.69495 18.01951 
1 1 1    1    2   33 o  347.394   5.1982 18425.54  551.176 18306.58  881.646 18501.86  706.191  346.151   8.3447  348.064   6.6473 -1.912781 10.66869 
1 1 1    1    2   34 o  220.356   3.3897  7411.79  227.986  7305.61  261.243  7750.98  466.938  218.764   3.9125  225.274   6.7910 -6.509109 7.837386 
1 1 1    1    2   35 o  928.871   16.035 132327.41  4546.25 132173.80  5931.68 132546.00  7077.84  926.707   20.971  926.355   25.033 0.3520508 32.65597 
1 1 1    1    2   36 o  651.027   8.4766 64785.43  1684.37 64243.58  2324.34 65384.66  2444.30  647.823   11.755  653.465   12.255 -5.641113 16.98144 
1 1 1    1    2   37 o  447.363   7.5957 30589.40  1037.15 31199.37  2593.06 30473.23  1131.61  450.029   18.878  446.447   8.3044 3.581879 20.62385 
1 1 1    1    2   38 o  749.575   9.3972 85987.75  2149.97 86875.32  3112.24 85177.53  2973.52  752.296   13.554  745.059   13.076 7.237122 18.83306 
1 1 1    1    2   39 o  367.077   4.4205 20578.89  495.273 19757.76  775.529 21144.45  643.616  359.473   7.0683  371.999   5.6685 -12.52567 9.060503 
1 1 1    1    2   40 f  239.167   3.4979  8734.15  255.346  8777.22  487.598  8717.87  299.732  239.587   6.6678  238.920   4.1102 0.6678925 7.832823 
1 1 1    1    2   41 o  302.122   3.7913 13939.74  349.615 13788.45  406.463 14369.97  685.441  300.440   4.4325  306.457   7.3280 -6.017517 8.564216 
1 1 1    1    2   42 o  222.485   3.4246  7558.80  232.557  6998.11  337.170  8067.58  321.183  213.991   5.1622  229.795   4.5792 -15.80418 6.900577 
1 1 1    1    2   43 o  375.564   10.401 21655.15  1192.26 20255.85  2666.51 22004.80  1332.92  357.595   24.580  378.321   11.543 -20.72586 27.15543 
1 1 1    1    2   44 o  106.047   2.2190  1716.75   71.824  1701.60  152.259  1721.08   81.456  105.523   4.7274  106.176   2.5135 -0.6528549 5.354033 
1 1 1    1    2   45 o  438.702   6.6006 29451.84  883.830 29229.76  1099.42 29857.59  1486.04  436.710   8.2481  440.630   11.049 -3.920715 13.78842 
1 1 1    1    2   46 o  291.363   4.0988 12969.99  364.510 12817.86  493.537 13152.57  540.671  289.511   5.5852  293.215   6.0413 -3.704193 8.227480 
1 1 1    1    2   47 o   94.169   2.2183  1353.80   63.760  1385.31   83.461  1309.63   98.809   95.248   2.8708   92.597   3.4961 2.651085 4.523767 
1 1 1    1    2   48 o  252.023   4.1838  9705.29  321.832 10287.89  545.187  9393.68  398.716  259.201   6.8912  247.853   5.2705 11.34720 8.675612 
1 1 1    1    2   49 o   94.029   2.2553  1349.79   64.725  1510.66  106.531  1255.66   81.490   99.448   3.5096   90.679   2.9443 8.768997 4.581114 
1 1 1    1    2   50 o   98.539   2.2117  1482.37   66.519  1647.69   88.954  1272.65  100.187  103.877   2.8056   91.276   3.5962 12.60132 4.561149 
1 1 1    1    2   51 o  295.391   3.7490 13330.30  338.015 13572.61  518.763 13151.52  445.588  297.858   5.7061  293.286   4.9777 4.571625 7.572132 
1 1 1    1    2   52 o  175.428   2.9912  4699.87  160.164  4805.67  184.036  4369.58  325.173  177.373   3.3994  168.949   6.3058 8.424149 7.163725 
1 1 1    1    2   53 o  170.905   2.9398  4460.71  153.351  4467.65  276.608  4457.62  184.261  170.902   5.3027  170.819   3.5341 0.8291626E-01 6.372510 
1 1 1    1    2   54 o  116.305   2.6227  2065.61   93.103  1944.64  166.622  2120.52  112.264  112.767   4.8410  117.827   3.1216 -5.059616 5.760176 
1 1 1    1    2   55 o  130.648   2.4683  2606.38   98.428  2581.92  134.877  2634.25  143.962  130.000   3.3992  131.302   3.5922 -1.302643 4.945556 
1 1 1    1    2   56 o  290.734   4.5116 12926.58  400.357 12219.30  667.370 13324.23  500.400  282.097   7.7509  295.014   5.5572 -12.91666 9.537239 
1 1 1    1    2   57 o  151.122   2.8167  3488.43  129.923  3496.51  152.689  3467.21  247.317  151.271   3.3070  150.484   5.3845 0.7877808 6.318979 
1 1 1    1    2   58 o  153.931   3.1010  3620.42  145.696  3477.44  233.405  3711.69  186.491  150.709   5.0740  155.803   3.9216 -5.093948 6.412871 
1 1 1    1    2   59 o  117.130   2.2343  2095.20   79.877  2038.34  114.616  2148.90  111.381  115.484   3.2517  118.584   3.0773 -3.099739 4.476947 
1 1 1    1    2   60 o  113.118   2.7899  1955.18   96.325  1998.06  122.838  1886.70  155.225  114.309   3.5207  111.002   4.5816 3.307091 5.778094 
1 1 1    1    2   61 o  163.700   2.9038  4096.02  145.088  3956.19  199.713  4252.29  211.132  160.761   4.0701  166.659   4.1506 -5.897446 5.813202 
1 1 1    1    2   62 o   96.428   2.4511  1420.88   72.140  1368.94  107.586  1463.30   97.240   94.570   3.7272   97.809   3.2572 -3.239082 4.949940 
1 1 1    1    2   63 o  110.214   3.5573  1859.59  119.666  1851.67  127.116  1921.23  354.774  109.956   3.7876  110.186   10.683 -0.2297668 11.33469 
1 1 1    1    2   64 o   37.682   4.6013  221.161   51.822  235.569   56.257  140.447  133.156   38.866   4.8477   31.566   11.120 7.299734 12.13082 
1 1 1    1    3    0 o  835.472   49.911 109050.70 12623.67 109050.70 12623.67 109050.70 12623.67  835.472   49.911  835.472   49.911 0.000000 0.000000 
1 1 1    1    3    1 o  990.448   41.046 152404.91 12408.57 157521.50 17548.48 147288.41 17548.26  996.740   57.932  962.391   60.040 34.34894 83.43180 
1 1 1    1    3    2 o  761.319   31.511 89397.25  7322.32 93279.45 10355.44 85515.23 10355.21  772.606   44.096  738.824   46.151 33.78204 63.83068 
1 1 1    1    3    3 o  690.622   17.536 73033.91  3696.43 81685.50  8835.20 71198.25  4069.72  724.211   40.127  681.609   19.562 42.60278 44.64110 
1 1 1    1    3    4 o  795.609   32.581 97740.92  7912.00 111474.50 11189.50 84008.59 11189.00  844.760   43.545  730.066   50.523 114.6937 66.69913 
1 1 1    1    3    5 o  552.046   10.914 46571.85  1838.98 45648.08  2484.53 47691.15  2734.87  546.225   14.902  558.203   16.052 -11.97760 21.90310 
1 1 1    1    3    6 o  183.085   4.8161  5116.92  269.130  5010.48  291.435  5733.52  701.438  181.165   5.2705  193.298   11.948 -12.13300 13.05838 
1 1 1    1    3    7 o  414.933   5.9086 26286.22  748.305 28724.15  1179.13 24642.23  968.280  433.630   8.9089  401.681   7.8977 31.94949 11.90558 
1 1 1    1    3    8 o  348.529   4.4482 18542.86  473.196 19198.33  669.201 17887.38  669.201  354.594   6.1831  342.267   6.4058 12.32690 8.903124 
1 1 1    1    3    9 o  247.241   3.2818  9330.26  247.655  9132.16  387.874  9466.61  321.785  244.575   5.1959  249.029   4.2335 -4.453995 6.702227 
1 1 1    1    3   10 o  200.828   2.7461  6155.81  168.331  6208.31  226.154  6090.60  252.058  201.674   3.6740  199.747   4.1343 1.926285 5.530882 
1 1 1    1    3   11 o  513.946   6.2634 40337.57  982.521 40501.60  2037.96 40287.90  1121.46  514.430   12.979  513.578   7.1542 0.8523560 14.82041 
1 1 1    1    3   12 o  257.474   3.2894 10119.16  258.504 10483.70  505.449  9990.03  300.824  261.996   6.3207  255.816   3.8527 6.180359 7.402355 
1 1 1    1    3   13 o  423.665   4.6735 27405.96  604.341 26272.07  854.624 28540.08  854.711  414.698   6.7519  432.245   6.4785 -17.54706 9.357278 
1 1 1    1    3   14 o  313.416   3.9469 14996.88  377.569 15263.12  490.622 14610.18  591.280  316.144   5.0845  309.255   6.2641 6.888794 8.067883 
1 1 1    1    3   15 o  284.792   3.9653 12383.11  344.686 13508.27  581.063 11772.22  428.151  297.347   6.4024  277.641   5.0524 19.70529 8.155817 
1 1 1    1    3   16 o  532.949   9.3852 43452.73  1526.68 49945.58  3809.15 42210.16  1666.37  568.295   21.960  525.129   10.397 43.16644 24.29691 
1 1 1    1    3   17 o  339.854   6.1199 17644.03  634.821 21717.98  1650.71 16936.92  687.710  376.221   14.375  332.938   6.7674 43.28329 15.88843 
1 1 1    1    3   18 o  667.607   8.5506 68133.50  1742.35 70390.10  3071.35 67062.67  2115.74  677.424   14.854  662.062   10.470 15.36157 18.17334 
1 1 1    1    3   19 o  283.280   5.1787 12253.17  447.765 12135.28  659.948 12353.74  609.525  281.824   7.6721  284.377   7.0223 -2.552216 10.40068 
1 1 1    1    3   20 o  253.996   5.1702  9850.00  400.821  9749.04  421.168 10819.85  1305.35  252.684   5.4608  265.192   16.205 -12.50786 17.10001 
1 1 1    1    3   21 o  140.046   3.3782  2993.65  144.401  2981.78  150.742  3125.79  503.164  139.767   3.5335  142.500   11.671 -2.732849 12.19408 
1 1 1    1    3   22 o  527.549   6.3812 42496.07  1027.51 42383.48  1308.95 42676.82  1658.56  526.759   8.1413  528.439   10.283 -1.680176 13.11566 
1 1 1    1    3   23 o  873.635   8.6608 116589.90  2309.43 115168.00  3460.47 117731.80  3101.06  867.765   13.065  877.575   11.577 -9.809509 17.45662 
1 1 1    1    3   24 o  384.937   4.3303 22618.63  508.770 22951.68  732.040 22307.45  707.602  387.714   6.1859  382.238   6.0651 5.476593 8.663223 
1 1 1    1    3   25 o  195.936   2.7665  5859.48  165.446  5907.51  259.290  5826.49  214.872  196.725   4.3183  195.378   3.6032 1.346832 5.624087 
1 1 1    1    3   26 o  353.420   4.0179 19065.91  433.417 19196.16  726.775 18994.02  539.935  354.561   6.7157  352.733   5.0151 1.827759 8.381631 
1 1 1    1    3   27 o  431.159   9.6369 28404.26  1268.20 31238.16  2497.92 27420.10  1472.04  451.468   18.127  423.523   11.387 27.94556 21.40733 
1 1 1    1    3   28 o  224.204   3.9791  7672.98  272.299  7917.12  333.793  7187.29  470.804  227.731   4.8022  216.941   7.1102 10.79031 8.579953 
1 1 1    1    3   29 o  392.481   7.4798 23526.76  896.039 23334.62  941.842 25359.36  2908.70  390.858   7.8948  405.397   23.609 -14.53983 24.89441 
1 1 1    1    3   30 o  457.555   5.6242 31964.72  785.459 31815.97  1242.18 32063.82  1013.88  456.331   8.9184  458.194   7.2497 -1.863007 11.49333 
1 1 1    1    3   31 o  396.926   5.4340 24054.56  658.338 24267.78  955.473 23861.85  908.373  398.585   7.8538  395.252   7.5296 3.332947 10.88013 
1 1 1    1    3   32 o  220.060   2.9457  7391.44  197.857  7461.05  310.062  7343.63  256.979  221.073   4.5951  219.337   3.8386 1.735550 5.987459 
1 1 1    1    3   33 o  634.494   7.4616 61495.18  1445.02 62837.69  1904.67 59674.47  2218.09  641.176   9.7325  624.620   11.634 16.55579 15.16847 
1 1 1    1    3   34 f  338.542   4.7513 17497.97  490.957 17594.60  562.558 17189.21  1005.61  339.454   5.4296  335.319   9.8255 4.135162 11.22590 
1 1 1    1    3   35 o  515.592   6.6416 40605.32  1045.19 40956.72  1412.82 40180.50  1553.41  517.633   8.9423  512.609   9.9285 5.023926 13.36183 
1 1 1    1    3   36 o  112.360   2.8205  1927.03   96.728  1742.80  122.191  2236.25  158.304  106.846   3.7468  121.025   4.2855 -14.17844 5.692473 
1 1 1    1    3   37 o  355.155   7.4971 19279.79  812.692 20285.38  1705.70 18984.47  924.356  363.390   15.378  352.338   8.5953 11.05209 17.61752 
1 1 1    1    3   38 o  339.430   5.9144 17603.34  612.743 18405.64  902.955 16918.53  834.219  346.860   8.5289  332.581   8.2180 14.27875 11.84390 
1 1 1    1    3   39 o  199.155   3.3950  6055.75  206.374  6748.02  341.734  5658.36  258.919  210.161   5.3274  192.480   4.4072 17.68097 6.914108 
1 1 1    1    3   40 o  120.443   2.7710  2214.62  101.868  2162.62  129.096  2300.43  165.831  119.007   3.5540  122.721   4.4272 -3.713913 5.677259 
1 1 1    1    3   41 o  196.256   2.7572  5880.24  165.163  6317.49  214.686  5246.17  258.527  203.400   3.4581  185.312   4.5707 18.08784 5.731484 
1 1 1    1    3   42 o  508.641   6.7952 39579.64  1054.95 40072.95  1531.02 39133.68  1455.68  511.125   9.8138  505.194   9.4404 5.929901 13.61730 
1 1 1    1    3   43 o  307.041   4.3627 14402.81  408.858 14527.13  839.460 14364.14  468.135  307.835   8.9344  306.577   5.0028 1.258331 10.23971 
1 1 1    1    3   44 o   45.341   2.9272  315.213   40.293  343.499   79.454  305.420   46.751   47.062   5.6439   44.585   3.4626 2.476803 6.621387 
1 1 1    1    3   45 o  144.096   2.6464  3170.19  116.393  3237.94  160.913  3095.84  168.563  145.599   3.6209  142.360   3.8793 3.239334 5.306610 
1 1 1    1    3   46 f  225.541   3.3970  7769.15  233.851  7745.97  239.658  8230.15  1068.73  225.199   3.4866  229.938   15.316 -4.737991 15.70747 
1 1 1    1    3   47 o  406.020   5.4278 25210.07  672.645 25098.60  706.974 26275.01  2185.14  405.075   5.7181  410.597   17.436 -5.521240 18.34963 
1 1 1    1    3   48 o  220.747   2.4222  7439.79  163.200  7107.77  230.644  7772.69  230.955  215.716   3.5030  225.589   3.3542 -9.872681 4.849952 
1 1 1    1    3   49 o   40.665   3.0970  254.009   38.151  186.085   69.698  283.067   45.587   34.250   6.9056   42.905   3.5118 -8.655048 7.747222 
1 1 1    1    3   50 o  296.047   3.5088 13387.55  317.055 12958.21  447.386 13820.74  449.388  291.121   5.0349  300.669   4.8968 -9.547913 7.023494 
1 1 1    1    3   51 o  371.368   6.4732 21113.75  733.740 20572.46  996.131 21755.77  1084.87  366.060   8.9155  376.303   9.4454 -10.24341 12.98857 
1 1 1    1    3   52 o  129.606   2.9915  2565.32  118.340  2582.05  143.501  2529.75  209.222  130.007   3.6164  128.606   5.3300 1.400787 6.441061 
1 1 1    1    3   53 o   85.972   2.6249  1128.62   68.880  1119.13  108.835  1134.95   88.964   85.573   4.1670   86.197   3.3815 -0.6240616 5.366367 
1 1 1    1    3   54 o  217.008   3.0256  7192.71  200.403  7692.14  327.340  6893.29  253.454  224.280   4.7818  212.386   3.9098 11.89409 6.176738 
1 1 1    1    3   55 o   77.121   2.6517  908.282   62.418  1170.25  177.479  871.307   66.677   87.124   6.7262   75.530   2.8923 11.59377 7.321687 
1 1 1    1    3   56 o  182.207   2.7436  5070.57  152.583  4856.31  236.850  5222.57  199.497  178.210   4.3544  184.870   3.5355 -6.660248 5.608947 
1 1 1    1    3   57 o  343.378   6.3791 18078.15  668.570 18026.78  699.349 18623.61  2278.71  342.812   6.6838  339.342   22.122 3.469910 23.10921 
1 1 1    1    3   58 o  257.852   4.1116 10168.64  323.596 10484.11  387.800  9445.40  587.184  261.710   4.8548  247.830   7.7625 13.87993 9.155644 
1 1 1    1    3   59 o  181.917   2.7146  5055.83  150.730  4943.33  238.338  5130.82  194.585  179.733   4.3446  183.199   3.4799 -3.465530 5.566434 
1 1 1    1    3   60 o  211.641   4.1748  6855.28  269.685  6498.44  392.277  7175.09  371.366  205.697   6.2481  216.270   5.6258 -10.57396 8.407674 
1 1 1    1    3   61 o  135.591   2.4198  2808.86  100.143  2819.09  131.088  2794.53  155.190  135.784   3.1630  135.138   3.7624 0.6458740 4.915328 
1 1 1    1    3   62 o   50.978   3.7101  399.885   57.331  361.556  125.894  409.913   64.395   47.502   9.0129   51.567   4.1259 -4.065086 9.912416 
1 1 1    1    3   63 o   65.498   4.3468  660.675   86.406  633.199  156.883  672.639  103.522   63.351   8.3143   65.966   5.1833 -2.615807 9.797648 
1 1 1    1    3   64 o  111.206   2.5525  1890.82   86.638  2012.09  145.784  1824.59  107.726  114.540   4.1700  109.180   3.2326 5.359818 5.276248 
1 1 1    1    4    0 o  317.146   20.137 15569.48  1931.21 15569.48  1931.21 15569.48  1931.21  317.146   20.137  317.146   20.137 0.000000 0.000000 
1 1 1    1    4    1 o  447.251   27.129 30894.47  3685.91   0.0000   0.0000 30894.47  3685.91  ?   ?   447.251   27.129 0.000000 27.12902 
1 1 1    1    4    2 o  332.877   20.793 17060.19  2102.03   0.0000   0.0000 17060.19  2102.03  ?   ?   332.877   20.793 0.000000 20.79306 
1 1 1    1    4    3 o  554.794   33.313 47750.82  5614.95   0.0000   0.0000 47750.82  5614.95  ?   ?   554.794   33.313 0.000000 33.31300 
1 1 1    1    4    4 o  643.273   38.526 64488.63  7529.51   0.0000   0.0000 64488.63  7529.51  ?   ?   643.273   38.526 0.000000 38.52633 
1 1 1    1    4    5 o  914.927   19.730 128364.80  5509.71 127513.00  6402.34 130796.50 10817.84  911.097   23.023  917.343   38.636 -6.245911 44.97535 
1 1 1    1    4    6 o  255.620   8.2497  9980.60  643.651 10352.26  910.603  9609.50  909.918  260.229   11.465  250.704   11.891 9.525299 16.51772 
1 1 1    1    4    7 o  294.344   5.2746 13226.99  473.870 12778.70  644.865 13753.22  698.671  289.263   7.3040  300.080   7.6281 -10.81732 10.56109 
1 1 1    1    4    8 o  440.790   6.5423 29670.02  880.192 31438.69  1406.81 28532.28  1128.32  453.540   10.163  432.161   8.5540 21.37878 13.28337 
1 1 1    1    4    9 o  319.824   4.3536 15614.86  424.992 15045.37  615.255 16134.56  587.747  313.883   6.4220  325.061   5.9239 -11.17871 8.736979 
1 1 1    1    4   10 o  411.375   6.5687 25845.78  824.768 27580.32  1811.59 25392.25  926.338  424.391   13.986  407.706   7.4440 16.68484 15.84321 
1 1 1    1    4   11 o  465.282   6.0721 33062.94  862.327 34682.48  1219.56 31443.64  1219.47  476.381   8.3875  453.559   8.8089 22.82159 12.16330 
1 1 1    1    4   12 o  407.090   5.1406 25306.24  638.738 25030.32  903.347 25582.12  903.278  404.740   7.3124  409.182   7.2325 -4.442444 10.28496 
1 1 1    1    4   13 o  482.594   6.3410 35579.29  934.018 35895.05  1291.81 35233.39  1352.05  484.508   8.7354  479.967   9.2292 4.540588 12.70765 
1 1 1    1    4   14 o  189.619   2.6947  5488.28  155.957  5676.82  239.836  5350.15  205.286  192.824   4.0751  187.203   3.5928 5.620880 5.432718 
1 1 1    1    4   15 o  106.684   2.2130  1737.18   72.061  1674.36  138.151  1760.66   84.461  104.717   4.3223  107.400   2.5765 -2.682693 5.032017 
1 1 1    1    4   16 o  836.054   12.864 107146.40  3282.57 112578.70  5517.30 104169.90  4084.05  853.770   21.172  823.276   16.253 30.49420 26.69122 
1 1 1    1    4   17 o  370.507   8.3634 20984.87  945.797 23001.29  2631.13 20685.65  1013.54  385.269   22.472  367.805   9.0283 17.46378 24.21823 
1 1 1    1    4   18 o  967.269   15.796 143531.91  4663.36 142171.09 11622.38 143793.09  5091.16  949.299   40.112  967.667   17.237 -18.36774 43.65897 
1 1 1    1    4   19 f  209.551   3.6927  6703.04  236.186  6916.25  385.123  6574.50  299.019  212.818   5.9289  207.517   4.7209 5.301025 7.578870 
1 1 1    1    4   20 o  976.781   19.168 146418.59  5714.77 137588.09  9162.80 152040.50  7310.98  942.275   31.859  993.757   24.103 -51.48157 39.94966 
1 1 1    1    4   21 o  497.743   6.7064 37832.55  1018.85 37811.20  1166.80 37901.12  2090.57  497.554   7.6831  497.699   13.762 -0.1451721 15.76146 
1 1 1    1    4   22 o  121.907   1.7886  2268.09   66.552  2103.43   89.119  2475.68  100.067  117.396   2.4871  127.361   2.5742 -9.964767 3.579409 
1 1 1    1    4   23 o  601.270   7.5644 55212.18  1388.23 52634.13  2505.26 56354.54  1667.67  586.559   13.993  607.369   8.9958 -20.80963 16.63555 
1 1 1    1    4   24 o  457.313   5.8268 31929.63  813.324 32242.20  1177.35 31644.31  1124.87  459.443   8.3957  455.177   8.0966 4.266083 11.66378 
1 1 1    1    4   25 o  115.956   2.2589  2052.12   79.948  2146.20  146.694  2012.37   95.353  118.576   4.0532  114.826   2.7207 3.750107 4.881659 
1 1 1    1    4   26 o  307.786   4.1861 14460.45  393.252 14128.87  488.129 15073.67  663.808  304.217   5.2569  314.183   6.9222 -9.966309 8.692062 
1 1 1    1    4   27 f  719.316   12.069 79115.35  2649.73 78518.73  3605.18 79816.27  3907.62  716.001   16.497  721.691   17.740 -5.689697 24.22466 
1 1 1    1    4   28 o  713.028   11.031 77718.17  2400.79 79000.23  2940.46 75154.57  4158.00  718.600   13.406  699.941   19.463 18.65881 23.63328 
1 1 1    1    4   29 o  629.587   8.4595 60553.46  1625.62 60362.46  2299.13 60744.39  2298.81  628.273   11.989  630.261   11.950 -1.988708 16.92770 
1 1 1    1    4   30 o  692.409   9.1882 73257.34  1941.84 72473.37  3620.35 73573.98  2300.79  687.620   17.250  693.733   10.866 -6.112854 20.38693 
1 1 1    1    4   31 o  243.672   3.6097  9063.27  268.466  8981.23  500.973  9096.32  317.980  242.506   6.7682  244.106   4.2678 -1.600098 8.001428 
1 1 1    1    4   32 o  816.883   9.3797 101980.00  2338.65 101766.00  3144.52 102244.90  3498.39  815.560   12.632  817.236   14.025 -1.675232 18.87528 
1 1 1    1    4   33 o  315.952   3.9948 15238.66  385.242 15631.29  490.987 14609.77  621.392  319.971   5.0274  309.291   6.5823 10.67947 8.282633 
1 1 1    1    4   34 o  303.388   4.8588 14053.22  449.926 14084.54  535.616 13978.16  829.260  303.698   5.7782  302.415   8.9840 1.282928 10.68177 
1 1 1    1    4   35 o  346.159   4.2759 18293.85  451.773 18442.65  587.190 18077.99  707.234  347.518   5.5358  344.012   6.7355 3.506195 8.718548 
1 1 1    1    4   36 f  232.613   2.6563  8259.08  188.595  8073.00  283.137  8407.49  252.853  229.952   4.0341  234.678   3.5300 -4.726563 5.360484 
1 1 1    1    4   37 o  356.792   4.7964 19440.85  522.330 19416.54  738.409 19465.21  738.964  356.446   6.7871  356.893   6.7837 -0.4466858 9.596048 
1 1 1    1    4   38 f  388.446   5.3437 23051.05  633.567 23528.55  918.922 22618.40  874.710  392.237   7.6756  384.599   7.4514 7.638000 10.69759 
1 1 1    1    4   39 o  193.328   3.5604  5706.96  210.091  5641.35  355.097  5742.29  260.594  192.118   6.0557  193.898   4.4032 -1.780716 7.487303 
1 1 1    1    4   40 o  330.793   6.6596 16734.01  672.386 16525.79  805.880 17211.04  1219.78  328.574   8.0356  334.709   11.940 -6.134979 14.39206 
1 1 1    1    4   41 o  216.426   3.2747  7152.26  216.321  6896.93  305.848  7407.84  305.999  212.466   4.7163  220.203   4.5528 -7.737366 6.555255 
1 1 1    1    4   42 o  338.155   5.3200 17477.79  549.087 16979.76  924.426 17749.28  682.535  332.811   9.1003  340.635   6.5648 -7.823669 11.22104 
1 1 1    1    4   43 o  350.403   8.0099 18807.52  856.668 19341.44  2402.29 18729.73  916.953  350.202   22.595  349.580   8.5938 0.6224670 24.17411 
1 1 1    1    4   44 o  555.880   9.2742 47406.38  1573.53 47620.41  1717.28 46286.09  3928.85  556.860   10.104  541.404   23.775 15.45544 25.83314 
1 1 1    1    4   45 f  229.205   3.7519  8024.77  262.477  7977.76  277.946  8412.22  797.909  228.519   3.9849  233.833   11.180 -5.313858 11.86866 
1 1 1    1    4   46 o  482.651   5.9187 35635.98  871.923 35936.20  975.032 34437.46  1948.14  484.541   6.5928  472.101   13.520 12.44025 15.04158 
1 1 1    1    4   47 o  192.745   3.5885  5674.75  211.113  5642.33  256.050  5743.57  373.081  192.151   4.3658  193.726   6.3095 -1.574478 7.672719 
1 1 1    1    4   48 o  270.812   3.2155 11200.79  265.791 10981.52  336.151 11566.53  434.145  268.085   4.1081  275.035   5.1717 -6.950043 6.604751 
1 1 1    1    4   49 o  220.225   2.9802  7406.31  200.322  7362.65  267.804  7461.78  301.834  219.518   3.9970  220.958   4.4755 -1.439941 6.000490 
1 1 1    1    4   50 o  224.500   3.8490  7700.12  263.743  7062.36  441.147  8054.89  329.020  214.759   6.7300  229.552   4.6960 -14.79253 8.206383 
1 1 1    1    4   51 o  120.029   2.5867  2199.80   94.764  2026.56  130.934  2390.38  137.329  115.175   3.7246  125.091   3.5968 -9.916275 5.177804 
1 1 1    1    4   52 o  174.611   3.6960  4658.03  196.977  4213.16  257.809  5281.96  305.312  165.983   5.0888  185.824   5.3830 -19.84183 7.407629 
1 1 1    1    4   53 o  230.312   2.8807  8100.72  202.503  7686.23  340.922  8326.69  251.721  224.186   4.9823  233.461   3.5326 -9.274796 6.107553 
1 1 1    1    4   54 o  102.004   2.6732  1588.91   83.228  1871.18  683.553  1584.67   83.852  106.728   21.722  101.867   2.6969 4.861176 21.88897 
1 1 1    1    4   55 o  243.738   3.6473  9078.19  271.342  9171.40  549.162  9048.08  312.102  244.499   7.3588  243.282   4.2031 1.217255 8.474524 
1 1 1    1    4   56 o   47.802   2.5303  349.944   36.787  351.668   51.384  348.130   52.689   47.841   3.5442   47.588   3.6554 0.2527657 5.091475 
1 1 1    1    4   57 o  146.245   3.6294  3269.04  162.005  3260.80  168.347  3372.22  595.817  146.051   3.7765  146.513   13.475 -0.4623566 13.99372 
1 1 1    1    4   58 o  147.182   3.1508  3310.25  141.546  3322.15  145.734  3112.13  594.718  147.441   3.2384  140.343   14.073 7.097626 14.44102 
1 1 1    1    4   59 o  143.603   2.2682  3149.54   99.417  3300.62  142.642  3006.82  138.638  146.953   3.1802  140.257   3.2385 6.696594 4.538857 
1 1 1    1    4   60 o   92.123   2.9182  1297.02   82.054  1373.45  254.134  1288.13   86.697   93.815   8.9850   91.798   3.0942 2.016876 9.502851 
1 1 1    1    4   61 o  112.703   2.9431  1941.76  101.240  1939.14  125.107  1946.73  172.322  112.576   3.6410  112.665   5.0111 -0.8920288E-01 6.194201 
1 1 1    1    4   62 o   32.917   8.5588  174.307   86.792  134.382  122.271  214.855  123.220   30.745   10.667   36.614   10.489 -5.868647 14.95947 
1 1 1    1    4   63 o  178.103   3.4068  4855.56  185.200  4856.93  191.289  4835.06  739.940  178.111   3.5187  173.072   14.130 5.038010 14.56201 
1 1 1    1    4   64 o   70.488   3.3548  760.754   72.178  844.178  145.203  733.375   83.183   73.639   6.5279   69.051   3.9634 4.587776 7.636917 
1 1 1    1    5    2 o  578.688   23.715 51482.74  4188.82 44649.91  5923.30 58318.25  5924.47  535.080   36.486  613.347   31.755 -78.26709 48.36979 
1 1 1    1    5    3 o  440.719   18.653 29779.96  2509.09 30998.03  3548.76 28562.38  3548.02  447.917   26.070  429.664   27.195 18.25244 37.67248 
1 1 1    1    5    4 o  159.922   4.6518  3904.19  227.062  3885.09  269.848  3950.49  420.215  159.520   5.5423  160.580   8.6049 -1.059464 10.23529 
1 1 1    1    5    5 o  496.851   16.867 37825.64  2557.82 40288.19  4430.68 36594.71  3132.53  510.087   28.573  488.158   21.024 21.92963 35.47456 
1 1 1    1    5    6 o  795.608   14.175 96889.44  3442.18 91691.07  5119.71 101177.80  4650.07  772.427   21.716  812.119   18.760 -39.69147 28.69644 
1 1 1    1    5    7 o  394.626   13.744 23838.08  1655.45 23341.05  2867.33 24086.59  2027.50  388.507   24.303  396.386   16.758 -7.879364 29.52028 
1 1 1    1    5    8 o  509.328   10.855 39670.99  1687.46 40327.66  3316.04 39441.51  1960.26  512.050   21.217  507.667   12.651 4.383301 24.70257 
1 1 1    1    5    9 o  481.110   6.2935 35351.71  924.168 35408.77  1275.38 35288.64  1341.03  481.331   8.6812  480.475   9.1443 0.8557434 12.60878 
1 1 1    1    5   10 o   58.363   1.9555  519.872   34.834  601.515   49.404  439.151   49.123   62.777   2.5784   53.553   3.0176 9.224083 3.969120 
1 1 1    1    5   11 o  521.553   6.9042 41560.84  1099.07 42956.63  1334.56 38618.76  1937.56  530.108   8.2482  502.073   12.644 28.03494 15.09614 
1 1 1    1    5   12 o  341.105   4.5762 17766.61  476.439 18171.75  578.415 16911.67  840.237  344.930   5.4940  332.588   8.2771 12.34247 9.934530 
1 1 1    1    5   13 o  573.572   9.6507 50336.55  1689.52 51598.56  2389.44 49074.75  2389.24  580.004   13.497  565.568   13.841 14.43579 19.33244 
1 1 1    1    5   14 f  363.178   5.4890 20146.04  608.454 22047.18  1023.02 19105.42  756.876  379.676   8.8279  353.580   7.0133 26.09546 11.27461 
1 1 1    1    5   15 o  406.252   7.1263 25220.97  883.647 24651.91  1249.67 25790.03  1249.67  401.359   10.201  410.545   9.9728 -9.185364 14.26595 
1 1 1    1    5   16 o  433.879   10.792 28809.02  1429.12   0.0000   0.0000 28809.02  1429.12  ?   ?   433.879   10.792 0.000000 10.79154 
1 1 1    1    5   17 o  504.541   10.807 38944.67  1664.28 38881.04  1932.96 39127.00  3272.23  503.911   12.568  503.945   21.274 -0.3442383E-01 24.70862 
1 1 1    1    5   18 o  589.640   14.058 53246.60  2529.96 57198.92  4637.77 51572.18  3018.68  608.830   24.957  579.813   17.057 29.01721 30.22941 
1 1 1    1    5   19 o  241.557   4.1415  8907.23  305.344  8321.42  363.192 10319.53  563.924  233.463   5.0968  259.936   7.1078 -26.47290 8.746387 
1 1 1    1    5   20 o  329.146   5.9298 16541.64  595.728 16695.96  786.589 16334.06  912.291  330.619   7.7948  326.964   9.1415 3.654968 12.01354 
1 1 1    1    5   21 o  490.994   6.3075 36809.95  945.252 35256.15  1307.32 38512.18  1368.34  480.395   8.9159  502.087   8.9289 -21.69250 12.61822 
1 1 1    1    5   22 o  540.238   7.8920 44575.61  1301.33 49529.63  3204.84 43597.54  1424.01  568.475   18.471  534.232   8.7331 34.24310 20.43100 
1 1 1    1    5   23 o  364.979   4.1982 20333.68  467.684 19945.80  783.892 20548.05  582.765  361.408   7.1063  366.876   5.2042 -5.468475 8.808130 
1 1 1    1    5   24 o  547.749   8.0959 45824.94  1353.52 45650.68  1735.16 46095.78  2163.18  546.562   10.401  549.023   12.909 -2.460083 16.57773 
1 1 1    1    5   25 o  626.797   9.4495 60024.86  1807.81 59236.25  2365.13 61133.05  2803.71  622.407   12.450  632.069   14.533 -9.662048 19.13642 
1 1 1    1    5   26 o  1045.39   17.422 167442.50  5558.95 170148.70  7563.27 164262.91  8198.14  1052.08   23.553  1032.91   26.004 19.17236 35.08471 
1 1 1    1    5   27 o  362.443   5.4328 20055.79  601.010 20399.36  747.710 19428.59  1010.27  365.496   6.7025  356.594   9.2821 8.902191 11.44904 
1 1 1    1    5   28 o  348.470   4.8131 18537.80  511.921 18448.69  724.573 18626.61  723.360  347.574   6.8300  349.247   6.7859 -1.673401 9.627878 
1 1 1    1    5   29 o  885.352   14.169 119973.20  3828.77 119483.70  5869.42 120335.80  5051.55  881.790   21.808  885.738   18.685 -3.947327 28.71804 
1 1 1    1    5   30 o  260.824   3.9183 10384.42  311.933  9457.24  624.192 10693.04  360.127  248.810   8.2193  264.662   4.4581 -15.85220 9.350442 
1 1 1    1    5   31 o  416.259   6.4465 26460.41  819.037 26310.51  1037.41 26708.47  1334.49  414.996   8.1901  417.984   10.460 -2.988556 13.28504 
1 1 1    1    5   32 o  331.610   5.0260 16788.92  508.706 16588.72  622.766 17190.36  881.867  329.591   6.1906  335.415   8.6140 -5.824005 10.60774 
1 1 1    1    5   33 o  292.843   4.1875 13091.58  374.285 13175.31  428.946 12824.42  766.203  293.763   4.7840  289.690   8.6655 4.073517 9.898340 
1 1 1    1    5   34 o   79.671   2.2803  968.795   55.450  889.323   72.943  1077.59   85.346   76.330   3.1309   84.021   3.3280 -7.690880 4.569255 
1 1 1    1    5   35 o  476.613   5.6270 34692.35  818.584 34456.31  1063.82 35034.97  1281.69  474.869   7.3397  478.714   8.7719 -3.844727 11.43750 
1 1 1    1    5   36 o  200.615   2.5586  6143.16  156.666  6368.71  256.410  6008.80  197.903  204.236   4.1132  198.398   3.2681 5.838150 5.253513 
1 1 1    1    5   37 o  118.836   2.2177  2155.53   80.441  2030.96  125.790  2241.71  104.631  115.337   3.5733  121.182   2.8288 -5.845810 4.557444 
1 1 1    1    5   38 o  160.607   2.4932  3937.52  122.218  3917.40  159.883  3965.81  189.569  160.183   3.2701  161.157   3.8539 -0.9738617 5.054352 
1 1 1    1    5   39 o  550.604   6.0940 46342.32  1024.13 46432.07  1448.14 46252.52  1448.55  550.688   8.6156  549.618   8.6349 1.069824 12.19794 
1 1 1    1    5   40 o  214.496   3.5837  7025.85  234.619  7226.49  299.411  6706.66  377.649  217.498   4.5102  209.455   5.9072 8.043106 7.432151 
1 1 1    1    5   41 f  171.100   5.2084  4474.09  272.002  4374.73  315.315  4763.07  537.735  169.145   6.1076  175.916   10.057 -6.771729 11.76597 
1 1 1    1    5   42 o  225.456   3.9216  7763.94  269.859  8008.35  483.616  7653.42  325.194  228.768   6.9261  223.800   4.7606 4.968887 8.404425 
1 1 1    1    5   43 o  190.426   2.9766  5536.92  173.008  5744.37  332.294  5459.77  202.640  193.830   5.6168  189.075   3.5113 4.754608 6.624006 
1 1 1    1    5   44 o  101.441   2.3494  1570.95   72.742  1651.21  106.319  1500.32   99.742  103.981   3.3500   99.117   3.2970 4.863693 4.700232 
1 1 1    1    5   45 o  243.382   3.2439  9046.20  240.974  9253.00  307.268  8715.80  388.385  246.097   4.0907  238.754   5.3296 7.343155 6.718503 
1 1 1    1    5   46 o  331.668   5.1809 16819.05  524.471 17150.74  624.576 16025.85  965.850  334.800   6.1120  322.979   9.7976 11.82068 11.54767 
1 1 1    1    5   47 o   98.840   2.5719  1491.61   77.589  1581.66  115.021  1416.42  105.104  101.754   3.7035   96.295   3.5760 5.458900 5.148170 
1 1 1    1    5   48 o  285.678   4.0017 12469.46  348.933 12231.89  493.673 12706.63  493.259  282.771   5.7199  288.220   5.6071 -5.448608 8.009756 
1 1 1    1    5   49 o  203.986   2.8056  6353.88  174.677  5730.12  273.470  6783.75  227.024  193.618   4.6275  210.738   3.5295 -17.11954 5.819883 
1 1 1    1    5   50 o  250.152   3.6641  9559.43  279.761  8487.86  520.024  9995.88  331.880  235.371   7.2386  255.754   4.2515 -20.38300 8.394773 
1 1 1    1    5   51 o  163.043   2.5404  4058.91  126.422  4075.69  193.175  4046.34  167.200  163.326   3.8751  162.760   3.3657 0.5658112 5.132628 
1 1 1    1    5   52 o  116.201   2.6088  2061.80   92.527  2155.86  134.660  1977.67  127.352  118.788   3.7140  113.775   3.6673 5.013557 5.219494 
1 1 1    1    5   53 o  242.543   3.4843  8987.11  257.944  9146.89  318.703  8683.68  439.187  244.625   4.2684  238.163   6.0417 6.462433 7.397398 
1 1 1    1    5   54 o  166.137   2.9005  4215.61  147.081  4734.28  291.365  4038.24  170.384  175.889   5.4273  162.579   3.4336 13.31029 6.422190 
1 1 1    1    5   55 f  128.199   2.9852  2510.40  116.810  2556.95  202.792  2487.29  142.896  129.268   5.1398  127.578   3.6697 1.689896 6.315363 
1 1 1    1    5   56 o  123.418   2.3371  2325.99   88.038  2328.89  114.397  2321.77  137.874  123.470   3.0355  123.252   3.6650 0.2174377 4.758847 
1 1 1    1    5   57 o   67.186   2.9370  689.597   60.228  726.185   73.479  614.688  105.138   68.840   3.5087   63.110   5.5135 5.730209 6.535270 
1 1 1    1    5   58 o  146.037   3.7607  3260.97  167.629  3275.20  174.813  3098.48  590.789  146.343   3.9137  139.986   14.015 6.357254 14.55155 
1 1 1    1    5   59 o   63.184   2.8708  610.035   55.364  583.221   69.400  656.969   91.817   61.643   3.7058   65.340   4.6339 -3.697258 5.933479 
1 1 1    1    5   60 o  103.780   2.3252  1645.24   73.653  1610.94   93.591  1701.04  119.373  102.660   2.9869  105.447   3.7090 -2.786720 4.762133 
1 1 1    1    5   61 o  168.297   2.4757  4328.00  127.174  4481.31  176.842  4163.79  183.020  171.158   3.3851  164.953   3.6351 6.204788 4.967211 
1 1 1    1    5   62 o   71.583   6.0134  794.130  130.167  877.166  215.521  746.447  163.319   74.396   9.7239   68.998   7.8972 5.397835 12.52679 
1 1 1    1    5   63 o   81.652   2.8596  1019.71   71.266  985.990  100.624  1053.65  100.947   80.090   4.1304   82.913   3.9889 -2.823608 5.742078 
1 1 1    1    5   64 o   75.505   11.942  926.470  266.065   0.0000   0.0000  926.470  266.065  ?   ?    75.505   11.942 0.000000 11.94225 
1 1 1    1    6    1 o  536.486   32.382 44791.92  5277.56 44791.92  5277.56   0.0000   0.0000  536.486   32.382  ?   ?  0.000000 32.38159 
1 1 1    1    6    2 o  530.030   32.017 43719.91  5155.26 43719.91  5155.26   0.0000   0.0000  530.030   32.017  ?   ?  0.000000 32.01669 
1 1 1    1    6    3 o  474.882   28.825 35005.44  4158.22 35005.44  4158.22   0.0000   0.0000  474.882   28.825  ?   ?  0.000000 28.82468 
1 1 1    1    6    4 o  182.046   13.283  5099.56  732.966  5099.56  732.966   0.0000   0.0000  182.046   13.283  ?   ?  0.000000 13.28295 
1 1 1    1    6    5 o  215.097   10.251  7074.02  672.977  7370.59  953.914  6780.14  949.567  218.899   14.357  209.840   14.923 9.059280 20.70801 
1 1 1    1    6    6 o  411.086   25.244 26200.47  3152.06   0.0000   0.0000 26200.47  3152.06  ?   ?   411.086   25.244 0.000000 25.24364 
1 1 1    1    6    7 o   63.258   6.0347  616.713  115.104  698.066  200.359  576.638  140.626   66.808   10.145   60.945   7.7338 5.862900 12.75640 
1 1 1    1    6    8 o  426.928   9.4617 27872.28  1232.94 26851.97  1431.96 30796.61  2424.25  418.872   11.200  447.633   17.743 -28.76099 20.98287 
1 1 1    1    6    9 o  608.858   11.967 56773.79  2223.87 50417.62  4368.78 58996.82  2583.66  570.370   25.095  620.337   13.646 -49.96716 28.56500 
1 1 1    1    6   10 o  657.056   22.220 66746.00  4456.17 67668.53  5458.27 64902.15  7716.62  659.506   27.116  637.798   39.839 21.70776 48.19122 
1 1 1    1    6   11 o  515.640   15.300 40839.64  2408.04 42832.03  3406.33 38849.25  3404.63  526.515   21.196  501.123   22.259 25.39224 30.73677 
1 1 1    1    6   12 o  216.733   8.5639  7183.41  566.515  7321.94  977.543  7113.36  695.152  217.877   14.787  215.558   10.566 2.318863 18.17405 
1 1 1    1    6   13 o  683.237   9.2211 71408.06  1922.96 72718.96  2719.41 70097.05  2719.53  688.699   12.937  676.111   13.178 12.58826 18.46697 
1 1 1    1    6   14 o  501.646   8.7280 38478.83  1336.38 39592.37  1889.89 37365.23  1889.95  508.387   12.179  493.826   12.539 14.56140 17.48030 
1 1 1    1    6   15 o  342.191   6.5575 17887.51  684.890 18305.53  968.909 17470.05  968.254  346.003   9.1746  338.000   9.3855 8.003265 13.12477 
1 1 1    1    6   16 o  817.940   18.636 102811.10  4652.56 102141.70  5042.95 106639.80 12059.85  814.754   20.279  815.551   48.670 -0.7962036 52.72532 
1 1 1    1    6   17 o  314.865   5.9448 15139.18  571.318 15682.14  807.398 14594.70  808.535  320.370   8.2569  309.048   8.5715 11.32141 11.90156 
1 1 1    1    6   18 o  427.182   7.4735 27872.84  974.437 25281.71  1237.46 32101.79  1580.90  406.707   9.9686  458.194   11.304 -51.48691 15.07171 
1 1 1    1    6   19 o   74.541   2.7167  848.048   61.808  1021.37   81.815  617.622   94.336   81.802   3.2768   63.415   4.9121 18.38689 5.904778 
1 1 1    1    6   20 o  528.762   6.2837 42690.66  1014.13 44102.95  1292.03 40424.31  1636.72  537.357   7.8776  514.302   10.427 23.05579 13.06781 
1 1 1    1    6   21 o  296.385   3.7055 13408.35  335.215 13853.81  501.788 13049.33  450.483  301.238   5.4575  292.369   5.0481 8.869232 7.434243 
1 1 1    1    6   22 o  438.979   6.8840 29425.85  922.364 30330.58  1304.36 28520.95  1304.48  445.554   9.5914  432.042   9.8922 13.51166 13.77862 
1 1 1    1    6   23 o  576.709   6.3278 50782.78  1113.84 52352.41  1929.08 49997.79  1364.23  585.276   10.799  572.160   7.8118 13.11633 13.32806 
1 1 1    1    6   24 o  292.594   4.6751 13068.84  417.518 12788.30  545.627 13465.19  648.538  289.406   6.1769  296.942   7.1556 -7.535919 9.452874 
1 1 1    1    6   25 o  650.398   9.3488 64631.20  1855.90 67891.48  2878.29 62311.12  2428.05  666.109   14.157  638.335   12.462 27.77454 18.86069 
1 1 1    1    6   26 o  389.876   8.6945 23221.12  1034.64 24263.59  1232.81 20737.67  1902.80  398.458   10.137  367.913   16.945 30.54486 19.74519 
1 1 1    1    6   27 o  221.646   3.5582  7498.69  240.719  7658.25  397.680  7406.42  302.414  223.959   5.8177  220.267   4.4982 3.692062 7.353818 
1 1 1    1    6   28 o  200.722   3.1208  6149.45  191.196  7024.36  368.306  5826.69  223.700  214.492   5.6258  195.377   3.7512 19.11479 6.761731 
1 1 1    1    6   29 o  412.862   6.1167 26027.91  770.794 27346.30  1335.00 25368.64  944.045  422.969   10.341  407.538   7.5894 15.43118 12.82700 
1 1 1    1    6   30 o  158.990   3.2213  3858.31  156.321  3950.32  277.748  3815.65  189.118  160.848   5.6574  158.103   3.9190 2.744995 6.882238 
1 1 1    1    6   31 o  325.036   5.1023 16130.04  506.191 16121.94  629.551 16144.84  851.368  324.917   6.3481  325.060   8.5810 -0.1425171 10.67386 
1 1 1    1    6   32 o  117.496   2.5821  2107.09   92.599  2348.14  133.252  1881.98  128.773  124.029   3.5199  111.035   3.7997 12.99357 5.179540 
1 1 1    1    6   33 o  320.505   5.1801 15684.81  506.742 15590.55  611.568 15891.28  905.140  319.502   6.2713  322.429   9.1974 -2.926971 11.13197 
1 1 1    1    6   34 o  456.166   5.4407 31776.89  757.528 32790.31  965.458 30153.63  1221.89  463.298   6.8274  444.115   9.0140 19.18347 11.30781 
1 1 1    1    6   35 o  663.530   7.1860 67278.95  1455.34 67547.86  2057.98 67009.95  2058.34  664.422   10.148  661.763   10.191 2.658081 14.38157 
1 1 1    1    6   36 o  230.980   3.6261  8145.34  255.640  8003.14  285.361  8723.29  575.293  228.943   4.0837  238.855   7.8911 -9.912949 8.885137 
1 1 1    1    6   37 o  176.940   3.6137  4780.17  195.163  4810.26  284.820  4753.54  267.955  177.449   5.2587  176.409   4.9765 1.039978 7.240142 
1 1 1    1    6   38 o  522.491   6.8184 41743.49  1087.37 40761.82  1917.06 42209.12  1320.31  515.213   12.191  525.163   8.2369 -9.949890 14.71264 
1 1 1    1    6   39 o  455.064   5.0189 31640.69  697.109 31189.10  969.310 32124.49  1003.29  451.548   7.0330  458.247   7.1731 -6.699768 10.04576 
1 1 1    1    6   40 o  271.510   4.3456 11260.98  360.125 11165.52  460.404 11411.43  578.015  270.272   5.5811  273.115   6.9339 -2.842407 8.900989 
1 1 1    1    6   41 o  222.851   4.5324  7587.55  308.290  7758.70  1105.12  7573.11  321.035  223.291   16.328  222.628   4.7245 0.6627197 16.99816 
1 1 1    1    6   42 o  353.684   4.8987 19117.03  528.830 18647.21  766.317 19544.21  730.709  349.030   7.1933  357.398   6.6985 -8.367249 9.829197 
1 1 1    1    6   43 o   48.701   3.1024  363.641   45.876  376.976   59.154  343.513   72.671   49.520   3.9464   47.128   5.1352 2.392624 6.476427 
1 1 1    1    6   44 o  330.695   4.1041 16707.77  414.247 16733.54  620.614 16687.05  556.313  330.726   6.1480  330.345   5.5174 0.3810425 8.260759 
1 1 1    1    6   45 o  129.005   3.0643  2541.45  120.656  2519.41  142.835  2596.35  225.443  128.428   3.6438  130.290   5.6690 -1.862518 6.739079 
1 1 1    1    6   46 o  240.841   3.5538  8860.05  261.238  8687.09  355.284  9063.64  385.450  238.384   4.8829  243.469   5.1869 -5.085281 7.123686 
1 1 1    1    6   47 f  161.433   2.8125  3979.42  138.582  4175.96  195.132  3779.40  196.849  165.329   3.8669  157.273   4.1007 8.056381 5.636391 
1 1 1    1    6   48 o  102.897   2.5724  1616.62   80.789  1561.79  167.519  1633.24   92.223  100.904   5.4595  103.418   2.9216 -2.513252 6.192130 
1 1 1    1    6   49 o  135.441   2.6757  2801.06  110.613  2555.72  204.405  2902.65  131.537  129.279   5.1802  137.862   3.1260 -8.582993 6.050300 
1 1 1    1    6   50 o  243.519   4.5324  9064.29  336.883  8736.11  853.169  9124.91  366.679  238.009   11.744  244.298   4.9175 -6.289230 12.73219 
1 1 1    1    6   51 o  154.072   2.5886  3624.62  121.731  3713.47  158.787  3497.96  189.588  155.921   3.3365  151.295   4.1055 4.626434 5.290335 
1 1 1    1    6   52 o  156.445   2.6130  3737.28  124.770  3635.42  192.969  3810.47  163.559  154.233   4.0991  157.938   3.3929 -3.704559 5.321141 
1 1 1    1    6   53 o  218.662   3.3247  7304.00  221.894  6933.49  328.391  7615.30  301.005  212.906   5.0534  223.189   4.4186 -10.28246 6.712770 
1 1 1    1    6   54 o   48.220   3.6467  357.323   53.274  297.455  134.899  368.386   57.988   43.075   10.382   48.939   3.9148 -5.864250 11.09587 
1 1 1    1    6   55 o  271.101   3.8479 11233.67  318.403 11439.01  450.612 11028.91  449.969  273.363   5.4007  268.404   5.4926 4.958954 7.702961 
1 1 1    1    6   56 o   48.300   3.5761  358.505   52.345  374.149   66.786  333.588   84.287   49.254   4.4919   46.256   6.1202 2.997650 7.591753 
1 1 1    1    6   57 o   74.267   2.7910  842.583   63.267  896.694   96.235  801.393   83.962   76.458   4.1391   72.298   3.8184 4.160538 5.631433 
1 1 1    1    6   58 o  112.162   2.7457  1921.99   93.997  1905.80  112.774  1958.81  170.121  111.662   3.3089  113.097   4.9282 -1.434479 5.936028 
1 1 1    1    6   59 o  143.453   2.2847  3143.24  100.036  3150.36  140.934  3136.00  142.017  143.556   3.2165  143.226   3.2486 0.3301239 4.571565 
1 1 1    1    6   60 o  180.613   2.5609  4984.47  141.177  4946.27  196.192  5025.49  203.308  179.815   3.5747  181.237   3.6753 -1.421890 5.126999 
1 1 1    1    6   61 o   68.938   3.3201  727.017   69.861  703.501   94.512  755.341  103.725   67.584   4.6092   70.003   4.8852 -2.418678 6.716374 
1 1 1    1    6   62 o  132.447   2.7926  2682.37  112.896  2717.81  157.436  2644.85  161.977  133.200   3.8724  131.379   4.0394 1.821594 5.595718 
1 1 1    1    6   63 o  137.528   4.9742  2906.60  208.802  3235.65  598.787  2861.05  222.786  141.133   14.089  136.371   5.3524 4.761230 15.07115 
1 1 1    1    7    2 f   90.297   10.125  1262.61  274.236  1262.61  274.236   0.0000   0.0000   90.297   10.125  ?   ?  0.000000 10.12464 
1 1 1    1    7    3 o  173.461   9.0785  4612.80  478.983  4810.15  676.232  4414.11  678.542  176.780   12.616  169.231   13.242 7.549500 18.28949 
1 1 1    1    7    4 o  252.532   11.698  9762.97  901.689 10383.72  1274.46  9140.82  1275.90  259.575   16.166  243.302   17.294 16.27275 23.67325 
1 1 1    1    7    5 o  505.378   21.140 39396.38  3260.95 43283.64  4612.48 35511.84  4610.88  526.598   28.806  475.596   31.949 51.00220 43.01785 
1 1 1    1    7    6 o  289.379   10.616 12815.88  937.636 13759.15  1624.50 12344.65  1148.20  298.539   17.911  283.785   13.256 14.75406 22.28260 
1 1 1    1    7    7 o   54.817   3.9192  461.112   65.140  469.622   69.860  404.430  180.286   55.303   4.1693   50.379   11.912 4.924179 12.62055 
1 1 1    1    7    8 o  612.245   25.497 58226.72  4764.67 63071.14  6739.32 53385.36  6737.19  631.391   35.109  578.757   38.356 52.63458 51.99845 
1 1 1    1    7    9 o  135.289   4.5443  2794.90  187.648  2822.06  205.354  2657.43  461.949  135.938   4.9493  131.196   11.657 4.741562 12.66460 
1 1 1    1    7   10 o  285.213   6.5084 12429.16  566.580 12123.06  657.307 13314.07  1117.61  281.615   7.6471  294.728   12.424 -13.11288 14.58858 
1 1 1    1    7   11 o  270.012   5.0732 11134.28  418.106 10237.66  590.978 12032.81  591.604  258.805   7.4814  280.611   6.9073 -21.80624 10.18245 
1 1 1    1    7   12 o  243.089   4.9394  9023.77  366.488  9115.02  495.602  8913.67  544.414  244.252   6.6478  241.507   7.3855 2.744919 9.936759 
1 1 1    1    7   13 o  317.691   9.1166 15432.73  884.009 15432.73  884.009   0.0000   0.0000  317.691   9.1166  ?   ?  0.000000 9.116633 
1 1 1    1    7   14 o  703.269   29.667 76893.98  6368.19 76893.98  6368.19   0.0000   0.0000  703.269   29.667  ?   ?  0.000000 29.66722 
1 1 1    1    7   15 o  525.951   13.127 42351.59  2107.25 42351.59  2107.25   0.0000   0.0000  525.951   13.127  ?   ?  0.000000 13.12665 
1 1 1    1    7   16 o  238.977   6.9515  8722.52  507.047  8722.52  507.047   0.0000   0.0000  238.977   6.9515  ?   ?  0.000000 6.951461 
1 1 1    1    7   17 o  216.550   3.1685  7157.60  209.428  6849.18  283.596  7527.54  310.593  211.819   4.3865  222.058   4.5826 -10.23904 6.343601 
1 1 1    1    7   18 o  500.434   6.4793 38241.08  989.677 36384.35  1161.46 43162.35  1890.90  488.070   7.7966  531.317   11.660 -43.24664 14.02651 
1 1 1    1    7   19 o  629.286   9.1531 60500.17  1758.06 59449.54  2153.22 62601.13  3044.90  623.618   11.312  639.454   15.601 -15.83624 19.27053 
1 1 1    1    7   20 o  159.078   2.6436  3862.28  128.359  4286.78  219.147  3640.60  158.367  167.580   4.2845  154.441   3.3596 13.13919 5.444591 
1 1 1    1    7   21 o  305.141   4.4803 14213.32  417.276 15697.69  658.460 13217.15  539.418  320.629   6.7284  294.224   6.0066 26.40475 9.019450 
1 1 1    1    7   22 o  114.717   2.5719  2008.55   90.055  2037.32  116.331  1965.52  142.260  115.533   3.2989  113.475   4.1074 2.058395 5.268175 
1 1 1    1    7   23 o  182.157   3.3112  5064.54  184.096  5268.59  232.733  4723.42  300.912  185.783   4.1043  175.893   5.6050 9.890793 6.946997 
1 1 1    1    7   24 o  147.993   2.6680  3342.82  120.515  3470.28  170.410  3215.28  170.456  150.782   3.7028  145.136   3.8479 5.646545 5.340118 
1 1 1    1    7   25 o  627.903   10.731 60262.92  2056.68 60759.68  2263.94 57916.47  4920.33  630.386   11.766  613.168   26.290 17.21777 28.80337 
1 1 1    1    7   26 o  137.262   2.4188  2875.57  101.337  3386.19  147.219  2415.76  139.702  148.947   3.2383  125.804   3.6382 23.14288 4.870664 
1 1 1    1    7   27 o  622.728   7.5947 59230.59  1443.54 61130.49  2041.43 57330.53  2041.51  632.388   10.576  612.385   10.922 20.00336 15.20370 
1 1 1    1    7   28 o  677.138   8.7999 70056.01  1818.75 74425.13  5879.26 69593.64  1912.57  694.349   27.741  674.856   9.2852 19.49274 29.25401 
1 1 1    1    7   29 o  616.817   7.9900 58120.47  1504.26 56682.79  2182.45 59421.61  2076.22  608.791   11.745  623.417   10.911 -14.62543 16.03137 
1 1 1    1    7   30 o  602.140   7.9786 55389.82  1466.37 55905.13  1980.98 54765.25  2180.93  604.683   10.733  598.354   11.942 6.328796 16.05643 
1 1 1    1    7   31 o  361.500   4.7230 19951.27  521.130 19844.08  625.626 20194.20  941.840  360.496   5.6859  363.538   8.4881 -3.041809 10.21650 
1 1 1    1    7   32 o  453.128   5.5634 31353.22  769.441 31581.52  993.857 31011.66  1215.65  454.688   7.1613  450.453   8.8418 4.234741 11.37817 
1 1 1    1    7   33 o  192.214   5.1765  5641.59  303.698  5593.55  325.581  5963.33  842.620  191.385   5.5736  196.762   14.124 -5.376877 15.18438 
1 1 1    1    7   34 o  438.538   7.1395 29386.12  955.635 28859.71  988.655 36874.29  3728.80  434.568   7.4537  487.177   25.162 -52.60907 26.24306 
1 1 1    1    7   35 o  457.045   6.6431 31919.80  926.716 30928.78  1167.52 33607.44  1523.58  449.710   8.5058  468.501   10.655 -18.79062 13.63339 
1 1 1    1    7   36 o  207.538   3.1203  6575.52  197.660  7045.96  359.507  6371.70  236.636  214.759   5.4845  204.280   3.7952 10.47879 6.669608 
1 1 1    1    7   37 o  651.698   7.1909 64950.04  1430.36 65251.28  2022.65 64648.68  2023.04  652.536   10.155  649.503   10.205 3.033142 14.39691 
1 1 1    1    7   38 o  261.488   3.8136 10441.86  304.372 10248.01  441.024 10618.16  420.596  258.952   5.5799  263.609   5.2274 -4.657959 7.645992 
1 1 1    1    7   39 o  463.794   7.9233 32930.41  1121.63 33977.02  1586.79 31885.30  1585.66  470.413   11.052  455.614   11.402 14.79898 15.87931 
1 1 1    1    7   40 o  312.523   4.4434 14921.36  423.850 15108.06  615.631 14753.11  584.415  314.293   6.4176  310.605   6.1645 3.687653 8.898636 
1 1 1    1    7   41 o  211.385   5.8558  6832.55  377.817  7415.26  994.813  6734.34  408.418  218.540   15.005  209.823   6.3773 8.717041 16.30388 
1 1 1    1    7   42 o  341.805   6.0725 17869.39  633.525 17733.63  932.495 17985.76  863.371  340.056   8.9842  342.594   8.2566 -2.537933 12.20194 
1 1 1    1    7   43 o  151.636   3.2274  3511.41  149.374  3439.58  252.744  3549.97  185.175  149.981   5.5211  152.440   3.9798 -2.458862 6.806006 
1 1 1    1    7   44 o  223.222   3.3157  7609.93  225.905  7708.66  319.242  7510.90  319.714  224.584   4.6572  221.680   4.7252 2.904175 6.634505 
1 1 1    1    7   45 o  628.381   8.2791 60549.95  1587.91 60564.67  1629.28 60271.03  7091.29  628.378   8.4949  596.294   39.181 32.08344 40.09096 
1 1 1    1    7   46 o  100.241   2.8306  1534.38   86.605  1663.90  147.658  1466.45  106.928  104.336   4.6367   97.981   3.5755 6.355049 5.855167 
1 1 1    1    7   47 o  200.025   2.8472  6109.60  173.826  5894.53  263.811  6274.62  231.083  196.391   4.4010  202.664   3.7357 -6.273346 5.772746 
1 1 1    1    7   48 o  191.119   3.8800  5580.58  226.338  5883.28  332.292  5318.59  309.140  196.119   5.5512  186.479   5.4314 9.640213 7.766289 
1 1 1    1    7   49 o  256.310   4.9633 10044.43  388.287 10346.61  545.194  9733.39  553.133  259.915   6.8723  252.053   7.1899 7.862335 9.945991 
1 1 1    1    7   50 o  110.296   4.7723  1859.84  160.658  1880.19  175.188  1752.24  402.909  110.880   5.1765  105.752   12.739 5.128326 13.75045 
1 1 1    1    7   51 o  225.652   3.2929  7777.65  226.798  7617.12  329.328  7922.48  312.792  223.197   4.8342  227.655   4.5015 -4.458725 6.605548 
1 1 1    1    7   52 f  210.186   4.0939  6751.84  262.640  6698.15  743.233  6759.50  280.753  207.938   11.759  210.283   4.3742 -2.344833 12.54590 
1 1 1    1    7   53 o  177.117   4.5829  4796.79  247.752  4588.33  574.429  4844.44  274.606  172.093   10.993  177.956   5.0557 -5.863449 12.10014 
1 1 1    1    7   54 o  186.175   4.9253  5302.54  279.878  5760.37  529.028  5124.60  329.813  193.504   8.9572  182.927   5.9071 10.57710 10.72964 
1 1 1    1    7   55 o  180.400   3.7711  4974.33  207.642  4873.42  283.289  5091.48  305.238  178.435   5.2015  182.354   5.4841 -3.918381 7.558551 
1 1 1    1    7   56 o  208.476   2.8466  6639.31  181.132  7102.87  344.532  6462.25  212.934  215.380   5.2409  205.635   3.3926 9.744690 6.243157 
1 1 1    1    7   57 o  192.505   5.0470  5674.87  296.545  5665.44  313.003  5757.54  926.727  192.307   5.3326  190.336   16.103 1.971054 16.96300 
1 1 1    1    7   58 f  228.209   5.6029  7985.76  390.266  7985.76  390.266   0.0000   0.0000  228.209   5.6029  ?   ?  0.000000 5.602866 
1 1 1    1    7   59 o  114.818   3.5508  2016.30  124.438  1997.24  161.339  2044.28  195.505  114.187   4.6292  115.431   5.5491 -1.243706 7.226435 
1 1 1    1    7   60 o  130.735   3.4996  2614.80  139.646  2719.35  185.792  2479.04  211.714  133.208   4.5696  127.073   5.4586 6.135086 7.118813 
1 1 1    1    7   61 o   60.795   3.1704  566.903   58.626  622.818   80.155  502.582   85.969   63.623   4.1504   57.008   4.9910 6.614651 6.491190 
1 1 1    1    7   62 o  117.212   2.6867  2100.65   96.119  2029.96  137.117  2168.95  134.778  115.101   3.9030  118.999   3.7107 -3.898277 5.385398 
1 1 1    1    7   63 o   93.220   2.5281  1328.70   71.931  1286.55   86.923  1420.28  128.124   91.685   3.1061   96.200   4.3636 -4.514191 5.356158 
1 1 1    1    8    4 o  290.790   18.698 13083.36  1650.73 13083.36  1650.73   0.0000   0.0000  290.790   18.698  ?   ?  0.000000 18.69769 
1 1 1    1    8    5 o   41.090   9.4703  268.689  116.337  238.336  143.867  326.038  197.751   39.084   11.373   45.700   13.344 -6.616077 17.53359 
1 1 1    1    8    6 o  424.432   26.190 28126.65  3376.30   0.0000   0.0000 28126.65  3376.30  ?   ?   424.432   26.190 0.000000 26.19049 
1 1 1    1    8    7 o  126.720   8.0380  2464.92  309.285  2442.23  441.153  2486.85  433.731  125.733   11.627  126.927   11.314 -1.193443 16.22344 
1 1 1    1    8    8 o  496.862   14.673 37899.92  2225.25 39946.71  3148.05 35855.89  3145.92  508.736   20.274  481.674   21.398 27.06100 29.47716 
1 1 1    1    8    9 o   89.046   4.1411  1210.63  112.550  1128.60  121.963  1681.32  292.153   85.844   4.6724  104.436   9.2613 -18.59249 10.37319 
1 1 1    1    8   10 o  259.539   6.3223 10290.14  500.837 10213.26  542.036 10738.93  1309.67  258.545   6.8687  263.903   16.340 -5.358643 17.72466 
1 1 1    1    8   13 o  333.454   7.7747 16988.15  791.288 16988.15  791.288   0.0000   0.0000  333.454   7.7747  ?   ?  0.000000 7.774661 
1 1 1    1    8   14 o  436.275   7.7376 29076.36  1030.34 29298.63  1344.89 28760.54  1603.15  437.789   10.065  433.586   12.114 4.202332 15.74945 
1 1 1    1    8   15 o  444.333   6.6658 30150.30  904.020 28311.87  1124.78 33504.98  1519.39  430.480   8.5604  468.160   10.633 -37.68024 13.65072 
1 1 1    1    8   16 o  224.421   5.7406  7689.82  393.225  7057.92  447.315  9838.96  824.935  214.983   6.8170  253.709   10.653 -38.72655 12.64732 
1 1 1    1    8   17 o  691.952   11.709 73203.20  2472.91 72419.93  2699.60 77288.31  6165.15  688.111   12.854  707.820   28.537 -19.70923 31.29786 
1 1 1    1    8   18 o  529.993   8.0983 42903.49  1310.04 41648.95  1713.99 44666.02  2031.58  522.019   10.757  540.471   12.315 -18.45258 16.35194 
1 1 1    1    8   19 o  641.081   8.0714 62772.11  1579.35 61351.84  2286.19 64068.66  2184.36  633.491   11.824  647.436   11.054 -13.94568 16.18601 
1 1 1    1    8   20 o  437.256   5.8989 29190.83  787.265 29292.81  1615.46 29159.07  901.569  437.715   12.092  436.988   6.7595 0.7267456 13.85278 
1 1 1    1    8   21 o  364.770   4.9715 20312.41  553.508 19545.57  802.981 21006.66  764.029  357.752   7.3537  370.903   6.7489 -13.15057 9.981197 
1 1 1    1    8   22 o  502.311   6.8526 38529.72  1050.61 38491.20  1485.60 38568.27  1485.99  501.907   9.6975  502.410   9.6904 -0.5026855 13.70933 
1 1 1    1    8   23 o   98.413   3.1757  1478.26   95.390  1712.06  421.205  1465.62   97.935  104.937   13.461   97.991   3.2744 6.945831 13.85355 
1 1 1    1    8   24 o  452.454   6.8719 31261.99  949.004 28027.77  1755.85 32596.65  1127.95  428.019   13.440  461.958   7.9996 -33.93887 15.64079 
1 1 1    1    8   25 o  573.942   8.3086 50320.87  1455.51 48584.57  1919.45 52670.09  2232.68  563.733   11.155  586.828   12.465 -23.09570 16.72791 
1 1 1    1    8   26 o  839.997   9.7272 107830.70  2493.92 104237.90  4867.66 109109.50  2904.03  824.204   19.349  844.764   11.263 -20.56061 22.38868 
1 1 1    1    8   27 o   45.107   3.1930  312.115   43.676  288.626   63.005  333.844   60.598   43.208   4.8619   46.565   4.3126 -3.357418 6.498971 
1 1 1    1    8   28 o  413.504   5.5104 26106.71  695.478 25290.00  1297.37 26436.05  823.856  406.735   10.450  416.066   6.4874 -9.331116 12.30033 
1 1 1    1    8   29 o  547.644   8.0079 45818.05  1338.55 46938.61  1664.81 43769.15  2251.18  554.153   9.8428  534.712   13.793 19.44141 16.94520 
1 1 1    1    8   30 o   95.823   2.6096  1401.44   76.324  1509.22   95.843  1214.62  126.187   99.436   3.1579   89.074   4.6575 10.36201 5.627154 
1 1 1    1    8   31 o  554.700   6.1176 46990.36  1035.76 47770.33  1440.56 46155.62  1490.28  559.107   8.4415  549.537   8.8849 9.570190 12.25559 
1 1 1    1    8   32 o  160.883   3.0950  3950.86  151.981  3946.17  156.495  4028.76  637.379  160.786   3.1889  161.673   13.027 -0.8866425 13.41162 
1 1 1    1    8   33 o  330.013   5.3213 16631.99  536.003 16133.52  646.892 17723.79  957.376  324.975   6.5218  340.442   9.2135 -15.46725 11.28809 
1 1 1    1    8   34 o  182.476   2.7042  5082.61  150.611  5100.49  198.414  5058.31  231.351  182.782   3.5565  182.013   4.1644 0.7694855 5.476387 
1 1 1    1    8   35 o  247.440   4.1268  9349.21  311.670  9569.98  485.807  9194.77  406.307  250.246   6.3603  245.337   5.4259 4.909363 8.360303 
1 1 1    1    8   36 o  294.453   4.2252 13241.07  379.732 13027.01  449.079 13778.10  711.308  292.020   5.0384  300.115   7.7652 -8.095154 9.256557 
1 1 1    1    8   37 o  570.819   6.9398 49833.05  1209.09 49658.61  1911.98 49949.30  1560.80  568.893   11.011  571.077   8.9544 -2.184082 14.19256 
1 1 1    1    8   38 o  203.783   3.1506  6340.68  195.967  6185.68  237.437  6671.86  347.069  201.252   3.8654  208.936   5.4423 -7.683914 6.675334 
1 1 1    1    8   39 o  385.862   4.7386 22749.16  558.080 22533.78  735.705 23041.05  856.479  383.859   6.2793  388.025   7.2317 -4.165100 9.577458 
1 1 1    1    8   40 o  382.663   5.3529 22383.04  625.204 22865.21  1249.52 22222.01  722.095  385.856   10.610  381.179   6.2065 4.677216 12.29166 
1 1 1    1    8   41 o  373.830   5.8804 21371.21  670.966 22058.35  1128.90 20995.89  834.323  379.109   9.7561  370.313   7.3815 8.795807 12.23388 
1 1 1    1    8   42 o  179.535   4.8323  4926.33  264.799  4942.94  301.056  4869.56  556.560  179.799   5.4858  177.742   10.303 2.057083 11.67263 
1 1 1    1    8   43 o  224.999   3.9842  7734.05  273.616  7727.84  344.792  7744.63  449.670  224.839   5.0242  224.951   6.5492 -0.1124878 8.254371 
1 1 1    1    8   44 o  207.022   2.9387  6544.59  185.689  6912.97  285.306  6273.87  244.581  212.690   4.3949  202.646   3.9543 10.04407 5.911959 
1 1 1    1    8   45 o  182.563   4.1768  5092.78  232.738  5089.72  243.177  5126.13  802.968  182.497   4.3657  181.321   14.634 1.176544 15.27087 
1 1 1    1    8   46 o  363.911   5.6309 20257.71  625.450 20263.06  778.319 20247.96  1050.85  363.726   7.0108  363.048   9.4833 0.6779785 11.79340 
1 1 1    1    8   47 o  231.624   3.3230  8194.30  234.929  8180.13  287.645  8222.69  407.144  231.376   4.0731  231.834   5.7538 -0.4586639 7.049531 
1 1 1    1    8   48 o  218.255   3.2873  7275.61  218.988  7545.23  303.043  6980.94  316.808  222.186   4.4686  213.687   4.8574 8.499084 6.600181 
1 1 1    1    8   49 o  141.434   2.8472  3054.67  122.911  3179.30  171.613  2923.41  176.120  144.251   3.8978  138.312   4.1719 5.938492 5.709404 
1 1 1    1    8   50 o  114.299   2.6563  1994.89   92.671  2025.92  135.027  1967.27  127.416  115.149   3.8419  113.475   3.6788 1.673592 5.319159 
1 1 1    1    8   51 o  438.182   5.7828 29385.03  773.417 29245.70  1149.55 29500.27  1045.41  436.386   8.6306  438.530   7.8103 -2.144318 11.63992 
1 1 1    1    8   52 o  151.617   3.0918  3511.24  143.080  3585.13  241.438  3471.24  177.632  153.086   5.1672  150.715   3.8614 2.370911 6.450604 
1 1 1    1    8   53 o  186.353   3.5157  5306.16  199.972  5650.05  250.157  4697.42  332.831  192.242   4.2633  175.113   6.2271 17.12926 7.546720 
1 1 1    1    8   54 o   72.383   3.4150  800.557   75.448  798.985   77.658  826.998  318.528   72.309   3.5187   71.481   15.074 0.8278885 15.47934 
1 1 1    1    8   55 o  140.029   2.9345  2995.39  125.419  3091.42  161.454  2849.26  199.162  142.213   3.7196  136.458   4.7818 5.754837 6.058123 
1 1 1    1    8   56 o  109.480   2.1803  1830.29   72.857  1903.72   92.636  1711.21  117.966  111.636   2.7187  105.800   3.6530 5.835365 4.553666 
1 1 1    1    8   57 o  100.493   2.7450  1542.86   84.198  1585.74  100.649  1442.91  153.675  101.858   3.2374   96.908   5.2147 4.950363 6.137893 
1 1 1    1    8   58 o   77.693   2.6216  922.213   62.168  955.102   69.881  797.422  136.122   79.056   2.8961   71.787   6.2756 7.269150 6.911576 
1 1 1    1    8   59 o  129.512   2.6992  2563.30  106.699  2594.30  123.918  2474.43  209.817  130.263   3.1167  126.987   5.4134 3.276855 6.246456 
1 1 1    1    8   60 o   74.096   3.5098  840.102   79.377  929.952  129.625  786.196  100.403   77.616   5.5074   71.462   4.6280 6.153893 7.193787 
1 1 1    1    8   61 o   64.670   2.7211  639.428   53.710  641.021   84.244  638.338   69.717   64.520   4.3025   64.476   3.5564 0.4459381E-01 5.582078 
1 1 1    1    8   62 o   47.344   10.909  366.813  154.393  344.693  200.986  398.657  241.148   45.872   13.470   49.213   14.829 -3.340141 20.03349 
1 1 1    1    8   63 o   37.013   3.4383  211.633   38.400  307.995   72.269  173.725   45.328   44.396   5.4476   33.325   4.5771 11.07015 7.115234 
1 1 1    1    9    1 o  443.565   27.279 30751.35  3675.33 30751.35  3675.33   0.0000   0.0000  443.565   27.279  ?   ?  0.000000 27.27929 
1 1 1    1    9    2 o  332.734   20.989 17165.75  2120.69 17165.75  2120.69   0.0000   0.0000  332.734   20.989  ?   ?  0.000000 20.98913 
1 1 1    1    9    3 o  297.478   19.070 13691.98  1722.36 13691.98  1722.36   0.0000   0.0000  297.478   19.070  ?   ?  0.000000 19.06983 
1 1 1    1    9    4 o  572.206   34.964 51754.32  6077.11 51754.32  6077.11   0.0000   0.0000  572.206   34.964  ?   ?  0.000000 34.96359 
1 1 1    1    9    5 o  449.010   15.441 30955.85  2116.20 32492.04  3664.14 30186.98  2592.25  456.639   26.402  442.669   19.186 13.96957 32.63689 
1 1 1    1    9    6 o  324.291   8.2941 16076.61  820.961 16268.68  902.921 15160.39  1972.06  326.168   9.0697  312.853   20.770 13.31564 22.66394 
1 1 1    1    9    7 o   55.678   7.9435  483.345  131.166  489.471  174.339  475.353  199.114   55.634   10.655   54.643   12.242 0.9917793 16.22950 
1 1 1    1    9   10 o  672.465   40.765 71425.77  8327.62   0.0000   0.0000 71425.77  8327.62  ?   ?   672.465   40.765 0.000000 40.76524 
1 1 1    1    9   11 o   76.510   10.264  910.944  233.641  910.944  233.641   0.0000   0.0000   76.510   10.264  ?   ?  0.000000 10.26368 
1 1 1    1    9   12 o  291.392   7.1923 12968.85  639.677 13482.46  1178.30 12754.22  761.693  296.829   13.006  288.919   8.6375 7.910767 15.61257 
1 1 1    1    9   13 o  385.287   5.3605 22664.15  630.385 22871.20  891.525 22457.12  891.474  386.962   7.5483  383.440   7.6172 3.521820 10.72372 
1 1 1    1    9   14 o  543.253   9.5857 45097.05  1589.43 44181.14  2248.40 46011.98  2247.20  537.348   13.709  548.398   13.425 -11.05005 19.18789 
1 1 1    1    9   15 o  342.616   7.1492 17926.67  747.622 17863.33  921.792 18048.45  1278.05  341.949   8.8319  343.555   12.188 -1.605530 15.05162 
1 1 1    1    9   16 o  451.219   7.3960 31093.45  1018.60 31276.55  1440.70 30910.45  1440.34  452.387   10.434  449.728   10.493 2.659027 14.79755 
1 1 1    1    9   17 o  581.625   8.5114 51673.80  1510.98 52175.08  2343.46 51317.14  1976.74  584.068   13.145  579.421   11.177 4.646790 17.25503 
1 1 1    1    9   18 o  1337.28   16.605 273861.31  6777.67 274723.69  9585.24 272999.00  9584.92  1337.08   23.487  1332.85   23.561 4.232422 33.26783 
1 1 1    1    9   19 o  1173.76   19.905 211305.50  7131.12 215815.59 10517.29 207467.59  9701.86  1182.86   29.131  1160.47   27.391 22.38977 39.98569 
1 1 1    1    9   20 o  486.891   7.3368 36203.50  1090.32 36279.59  1774.99 36157.39  1381.72  487.125   11.938  486.478   9.3055 0.6465149 15.13649 
1 1 1    1    9   21 o  659.706   12.072 66546.10  2430.76 68880.58  7855.50 66298.91  2556.22  664.138   38.922  658.409   12.720 5.728882 40.94809 
1 1 1    1    9   22 o  612.256   10.972 57301.06  2050.36 57165.88  2899.97 57436.18  2899.33  611.030   15.549  612.479   15.509 -1.448120 21.96176 
1 1 1    1    9   23 o  565.575   7.4950 48855.00  1293.84 47019.27  2472.28 49547.42  1518.37  554.239   14.614  569.489   8.7352 -15.25031 17.02608 
1 1 1    1    9   24 o  798.818   8.4875 97483.88  2069.41 94257.10  2926.58 100710.70  2926.59  785.051   12.214  811.537   11.815 -26.48627 16.99321 
1 1 1    1    9   25 o  329.009   5.6055 16527.42  562.907 16177.58  660.077 17460.23  1077.84  325.478   6.6444  337.971   10.449 -12.49393 12.38228 
1 1 1    1    9   26 o  526.822   11.187 42437.01  1798.81 42073.02  3537.40 42563.95  2089.08  523.099   22.156  527.435   12.977 -4.335571 25.67618 
1 1 1    1    9   27 f  404.323   6.7336 24966.40  830.989 25641.43  1129.74 24170.64  1226.61  409.636   9.0358  397.650   10.106 11.98602 13.55661 
1 1 1    1    9   28 o  119.298   3.5734  2172.42  130.118  2267.45  174.641  2053.84  195.078  121.870   4.6950  115.979   5.5107 5.890442 7.239552 
1 1 1    1    9   29 o  325.708   4.7611 16196.37  473.315 17086.63  1047.62 15968.04  530.551  334.298   10.267  323.387   5.3751 10.91104 11.58911 
1 1 1    1    9   30 o  333.332   4.4835 16963.22  456.153 17241.75  631.308 16658.96  659.832  336.001   6.1558  330.258   6.5458 5.743042 8.985610 
1 1 1    1    9   31 o  593.358   7.7192 53797.95  1398.00 53262.39  1640.82 55216.46  2670.38  590.252   9.1077  600.164   14.578 -9.912292 17.18881 
1 1 1    1    9   32 o  144.823   2.2295  3201.21   98.550  3215.06  121.515  3174.59  168.455  145.131   2.7432  144.203   3.8273 0.9287415 4.708842 
1 1 1    1    9   33 o  229.817   3.2264  8062.68  226.317  8554.57  393.209  7819.00  276.754  236.659   5.4436  226.299   4.0068 10.35950 6.759183 
1 1 1    1    9   34 o  583.561   6.8973 52053.81  1228.52 53945.46  1886.08 50659.80  1619.09  593.466   10.412  575.334   9.2201 18.13190 13.90777 
1 1 1    1    9   35 o  467.363   8.7245 33433.52  1244.54 38223.27  2987.07 32427.40  1369.03  496.719   19.702  460.108   9.7485 36.61072 21.98213 
1 1 1    1    9   36 o   75.579   3.4991  872.215   80.719  978.453  111.444  754.976  117.072   79.902   4.5889   70.071   5.5186 9.830963 7.177200 
1 1 1    1    9   37 o  417.475   5.7069 26640.49  727.195 27329.77  1357.06 26362.84  861.292  422.032   10.535  415.156   6.7971 6.876404 12.53744 
1 1 1    1    9   38 o  300.284   5.5100 13783.04  505.012 14536.43  1082.95 13573.67  570.885  307.553   11.536  297.924   6.2781 9.629547 13.13406 
1 1 1    1    9   39 o   85.406   2.7452  1113.66   71.563  1036.44  121.746  1154.42   88.458   82.211   4.8736   86.947   3.3332 -4.735245 5.904410 
1 1 1    1    9   40 o  342.228   5.6293 17907.41  588.010 17343.70  1017.65 18189.94  720.450  336.135   9.9190  344.762   6.8465 -8.627106 12.05242 
1 1 1    1    9   41 o  292.184   4.5790 13045.80  408.358 13869.65  654.648 12521.06  522.467  300.987   7.1259  286.115   5.9828 14.87305 9.304429 
1 1 1    1    9   42 o   95.129   3.1410  1381.97   91.200  1250.47  373.129  1390.33   94.053   88.860   14.238   95.415   3.2295 -6.554474 14.59975 
1 1 1    1    9   43 o  175.333   2.3695  4693.36  126.806  4704.45  208.505  4686.85  159.744  175.482   3.8928  175.191   2.9874 0.2907562 4.907005 
1 1 1    1    9   44 o   36.884   3.6814  209.888   40.892  190.983   53.277  236.992   63.792   34.971   5.1451   38.981   5.5156 -4.009922 7.542850 
1 1 1    1    9   45 o  167.204   3.3788  4270.18  172.436  4335.51  211.479  4140.60  297.855  168.444   4.1133  164.504   5.9322 3.940430 7.218720 
1 1 1    1    9   46 o  157.042   3.1494  3766.54  150.960  3761.86  155.726  3839.48  614.905  156.941   3.2509  157.121   12.937 -0.1796265 13.33925 
1 1 1    1    9   47 f  122.392   2.9712  2287.60  110.994  2252.56  175.169  2311.11  143.471  121.389   4.7278  122.992   3.8218 -1.603378 6.079370 
1 1 1    1    9   48 o  221.408   3.4464  7488.05  232.900  7147.46  320.908  7867.10  338.539  216.216   4.8627  226.837   4.8896 -10.62151 6.895967 
1 1 1    1    9   49 o   43.109   6.4320  290.758   82.043  361.332  294.004  284.798   85.437   49.479   16.554   42.597   6.7999 6.881752 17.89621 
1 1 1    1    9   50 o  111.350   2.9443  1893.57  100.067  1723.22  167.297  1988.47  124.867  106.144   5.1639  114.086   3.5859 -7.942413 6.286858 
1 1 1    1    9   51 o  157.473   2.5071  3786.52  120.503  3674.49  160.305  3932.09  182.720  155.090   3.3865  160.417   3.7318 -5.326736 5.039298 
1 1 1    1    9   52 o  157.474   2.5257  3786.77  121.399  3958.31  140.434  3279.53  241.490  160.988   2.8580  146.389   5.4047 14.59819 6.113843 
1 1 1    1    9   53 o  275.151   3.5974 11569.26  302.119 11924.81  389.040 11029.07  479.535  279.233   4.5647  268.356   5.8545 10.87720 7.423724 
1 1 1    1    9   54 o  206.722   3.6594  6531.50  230.893  6567.38  283.859  6461.35  396.930  207.211   4.4882  205.302   6.3344 1.909088 7.763281 
1 1 1    1    9   55 o  201.431   2.8195  6198.20  173.346  6208.89  265.435  6190.25  228.900  201.472   4.3165  201.228   3.7268 0.2437439 5.702729 
1 1 1    1    9   56 o  157.974   2.8632  3812.81  138.053  3753.25  190.348  3878.91  200.523  156.653   3.9810  159.241   4.1257 -2.588120 5.733194 
1 1 1    1    9   57 o  225.838   3.4496  7797.96  237.787  7814.89  273.255  7745.16  482.621  226.017   3.9611  224.418   7.0458 1.598709 8.082914 
1 1 1    1    9   58 o   42.549   3.8916  279.330   49.981  280.279   58.120  276.636   97.935   42.538   4.5468   41.662   7.9923 0.8756027 9.195155 
1 1 1    1    9   59 o   84.818   2.8644  1099.74   74.155  1209.78  107.174  998.665  102.710   88.893   3.9501   80.642   4.1873 8.251244 5.756410 
1 1 1    1    9   60 o   23.554   6.7619   87.533   51.163   75.127   74.923   98.374   70.035   23.551   8.3365   25.393   8.0515 -1.841890 11.58983 
1 1 1    1    9   61 o   74.808   2.7042  855.729   61.746  896.838   84.396  808.379   90.576   76.526   3.6132   72.502   4.1100 4.023788 5.472408 
1 1 1    1    9   62 o   42.276   3.3691  275.406   43.113  256.029   58.029  299.281   64.412   40.546   4.7809   43.861   4.8950 -3.314735 6.842369 
1 1 1    1   10    1 o  214.908   14.905  7115.49  971.632  7115.49  971.632   0.0000   0.0000  214.908   14.905  ?   ?  0.000000 14.90472 
1 1 1    1   10    2 o  333.150   20.976 17160.56  2122.06 17160.56  2122.06   0.0000   0.0000  333.150   20.976  ?   ?  0.000000 20.97606 
1 1 1    1   10    3 o  297.908   19.055 13699.21  1723.57 13699.21  1723.57   0.0000   0.0000  297.908   19.055  ?   ?  0.000000 19.05504 
1 1 1    1   10    7 o  180.178   9.4112  4975.50  515.766   0.0000   0.0000  4975.50  515.766  ?   ?   180.178   9.4112 0.000000 9.411169 
1 1 1    1   10    8 o  401.129   17.226 24675.08  2108.99   0.0000   0.0000 24675.08  2108.99  ?   ?   401.129   17.226 0.000000 17.22557 
1 1 1    1   10    9 o  901.758   30.337 125851.70  8349.98 116615.10 14461.58 130471.00 10226.95  852.378   55.896  915.255   36.609 -62.87592 66.81718 
1 1 1    1   10   10 o  658.140   19.707 66479.98  3958.74 61525.03  5599.20 71432.48  5597.81  631.039   29.070  680.538   26.949 -49.49908 39.64039 
1 1 1    1   10   11 o  614.173   25.668 58100.77  4811.68 57182.70  6804.73 59018.85  6804.77  605.240   37.013  615.137   36.405 -9.896301 51.91642 
1 1 1    1   10   12 o  397.837   8.9785 24180.99  1090.25 24067.96  1181.38 24829.96  2830.89  396.867   9.7528  401.234   23.215 -4.367493 25.18031 
1 1 1    1   10   13 o  498.411   11.309 37974.89  1720.34 37859.46  1864.47 38636.09  4462.23  497.578   12.277  499.471   29.400 -1.892761 31.86005 
1 1 1    1   10   14 f  237.548   6.2204  8616.00  451.007  9495.19  835.467  8254.42  535.781  249.242   10.982  232.482   7.5506 16.75951 13.32744 
1 1 1    1   10   15 o  659.842   11.910 66565.17  2398.56 68060.45  3240.57 64753.46  3567.03  666.740   15.924  650.054   17.978 16.68591 24.01616 
1 1 1    1   10   16 o  489.301   8.3248 36569.56  1243.28 37311.09  1691.61 35698.46  1833.47  494.061   11.218  483.178   12.432 10.88242 16.74509 
1 1 1    1   10   17 o  1090.04   18.169 182091.41  6045.06 194482.09  8915.56 171547.80  8224.24  1124.06   25.986  1055.86   25.519 68.19568 36.42145 
1 1 1    1   10   18 o  336.776   5.5332 17315.78  568.765 17682.54  984.790 17132.21  696.713  340.194   9.4842  334.952   6.8148 5.241638 11.67867 
1 1 1    1   10   19 o  547.120   12.472 45776.80  2082.72 45137.32  5400.48 45888.53  2257.34  539.007   32.985  547.690   13.503 -8.682556 35.64192 
1 1 1    1   10   20 o  271.405   5.3367 11245.81  442.087 10923.25  656.181 11513.92  598.239  267.419   8.0392  274.579   7.1382 -7.160675 10.75097 
1 1 1    1   10   21 o  636.367   9.2899 61876.29  1804.41 64224.40  3033.57 60590.66  2244.67  647.656   15.346  629.501   11.683 18.15521 19.28677 
1 1 1    1   10   22 o  538.296   8.7460 44269.58  1436.97 43673.84  1630.01 46347.39  3044.15  534.573   9.9900  549.790   18.141 -15.21771 20.70944 
1 1 1    1   10   23 o  840.438   13.641 108090.40  3499.30 103075.10  5161.02 112357.80  4760.69  819.266   20.639  855.950   18.222 -36.68427 27.53240 
1 1 1    1   10   24 o  805.611   33.124 100693.60  8144.89 95499.25 11514.01 105896.20 11523.22  775.761   48.877  818.622   46.308 -42.86072 67.33081 
1 1 1    1   10   25 o  215.331   5.7895  7079.89  380.506  5957.91  922.508  7309.91  417.692  196.612   15.498  218.791   6.2547 -22.17894 16.71265 
1 1 1    1   10   26 o  274.709   7.5901 11527.54  636.410   0.0000   0.0000 11527.54  636.410  ?   ?   274.709   7.5901 0.000000 7.590087 
1 1 1    1   10   27 o  214.536   3.4937  7025.47  228.775  6602.63  380.891  7264.10  286.137  207.938   6.0014  218.137   4.2976 -10.19958 7.381469 
1 1 1    1   10   28 o  141.744   3.6341  3066.89  157.222  2524.88  313.579  3248.90  181.712  128.299   8.0485  145.885   4.0809 -17.58592 9.023945 
1 1 1    1   10   29 o  413.355   5.4222 26090.64  684.098 24481.95  967.649 27698.07  967.271  400.279   7.9202  425.790   7.4428 -25.51132 10.86855 
1 1 1    1   10   30 o  376.224   5.7115 21616.69  655.861 20724.47  803.644 23396.06  1134.91  368.304   7.1489  391.157   9.5059 -22.85281 11.89405 
1 1 1    1   10   31 o   97.788   2.3529  1459.54   70.226  1631.28   99.142  1286.59   99.489  103.376   3.1421   91.803   3.5506 11.57236 4.741265 
1 1 1    1   10   32 o  247.319   3.4651  9338.02  261.574  9362.11  319.983  9289.48  454.135  247.616   4.2338  246.587   6.0339 1.029053 7.371084 
1 1 1    1   10   33 o  267.305   3.7522 10909.66  306.137 11266.90  423.521 10518.76  443.024  271.590   5.1091  262.398   5.5316 9.192047 7.530020 
1 1 1    1   10   34 o  181.855   2.7306  5048.57  151.567  5363.91  238.726  4835.62  196.178  187.412   4.1734  177.959   3.6117 9.452744 5.519186 
1 1 1    1   10   35 o  296.280   4.7074 13409.86  425.702 13335.50  737.369 13447.04  521.365  295.161   8.1848  296.617   5.7587 -1.456543 10.00771 
1 1 1    1   10   36 o  208.920   3.7399  6665.70  238.485  6595.51  308.961  6769.18  375.120  207.767   4.8720  210.430   5.8404 -2.663742 7.605752 
1 1 1    1   10   37 f  201.745   4.1063  6217.01  252.855  6064.06  372.963  6347.11  343.975  199.139   6.1361  203.771   5.5305 -4.632568 8.260661 
1 1 1    1   10   38 f  176.664   3.4058  4766.14  183.647  4809.96  233.549  4695.16  297.256  177.439   4.3123  175.249   5.5572 2.190567 7.034119 
1 1 1    1   10   39 o  215.917   7.6829  7139.80  506.328  7113.54  714.079  7166.35  718.048  214.865   10.924  215.659   10.944 -0.7943878 15.46363 
1 1 1    1   10   40 o  191.076   3.0824  5575.17  179.768  5487.16  216.183  5772.45  323.648  189.535   3.7369  194.303   5.4573 -4.768356 6.614115 
1 1 1    1   10   41 o  135.422   2.5284  2799.95  104.508  2813.90  152.938  2787.74  143.141  135.727   3.6918  135.101   3.4713 0.6253510 5.067433 
1 1 1    1   10   42 o   76.712   2.5739  898.498   60.267  870.424  116.811  908.682   70.354   75.280   5.1141   77.140   2.9881 -1.859268 5.923062 
1 1 1    1   10   43 o  305.241   4.2101 14237.25  392.236 14255.65  567.781 14220.44  542.493  305.225   6.0946  304.882   5.8297 0.3425903 8.433817 
1 1 1    1   10   44 o  121.943   2.5432  2270.44   94.658  2429.82  131.919  2101.28  135.902  126.126   3.4268  117.278   3.7966 8.848106 5.114382 
1 1 1    1   10   45 o  261.196   5.2281 10433.06  416.803 10670.16  547.302 10105.68  643.122  263.961   6.7931  256.680   8.2089 7.281250 10.65517 
1 1 1    1   10   46 o  284.034   4.0993 12327.64  355.382 12367.72  502.398 12287.51  502.773  284.315   5.7894  283.389   5.8126 0.9262695 8.203871 
1 1 1    1   10   47 o  292.747   4.1923 13096.62  374.596 13685.86  702.153 12862.19  442.888  298.780   7.6995  290.031   5.0030 8.748810 9.182188 
1 1 1    1   10   48 o  160.940   3.8550  3957.59  189.370  3546.11  288.928  4267.46  250.734  152.200   6.2195  167.061   4.9172 -14.86040 7.928554 
1 1 1    1   10   49 o  186.049   3.0096  5286.52  170.906  5629.07  326.120  5156.83  200.668  191.807   5.5705  183.724   3.5784 8.082916 6.620862 
1 1 1    1   10   50 o  259.507   2.9430 10285.24  233.111 10119.59  355.464 10410.23  308.780  257.275   4.5267  261.006   3.8760 -3.731018 5.959384 
1 1 1    1   10   51 o  223.892   2.8011  7655.65  191.416  7676.58  265.619  7633.04  276.092  224.121   3.8829  223.471   4.0478 0.6500854 5.609045 
1 1 1    1   10   52 o   98.790   2.9238  1490.69   88.161  1537.57  135.552  1456.33  116.061  100.275   4.4289   97.612   3.8955 2.663361 5.898314 
1 1 1    1   10   53 o  324.751   4.4504 16129.91  441.128 15823.05  623.846 16436.77  623.852  321.283   6.3617  327.482   6.2413 -6.198608 8.912085 
1 1 1    1   10   54 o  143.526   2.4107  3145.96  105.606  3323.28  163.215  3018.27  138.506  147.450   3.6266  140.544   3.2288 6.906250 4.855633 
1 1 1    1   10   55 o  178.193   2.8292  4851.04  153.878  5301.64  188.567  3952.88  266.224  186.249   3.3171  160.624   5.4303 25.62463 6.363239 
1 1 1    1   10   56 o   90.088   2.9312  1240.16   80.598  1329.91  143.490  1198.79   97.418   93.035   5.0722   88.544   3.6047 4.491508 6.222638 
1 1 1    1   10   57 o  106.631   3.7883  1739.43  123.294  1750.55  127.443  1576.83  487.161  106.963   3.9036   98.112   16.876 8.850655 17.32203 
1 1 1    1   10   58 o  122.429   2.7265  2290.80  101.884  2286.31  214.069  2292.11  115.846  122.006   5.7485  122.439   3.0999 -0.4327621 6.531061 
1 1 1    1   10   59 o  156.990   2.8794  3768.24  137.973  3843.17  776.592  3765.80  140.203  153.108   16.900  156.934   2.9270 -3.825882 17.15118 
1 1 1    1   10   60 o  120.490   2.6661  2219.64   98.049  2169.10  188.818  2238.30  114.730  118.807   5.2070  120.956   3.1076 -2.149422 6.063807 
1 1 1    1   10   61 o   87.206   3.4158  1164.49   90.919   0.0000   0.0000  1164.49   90.919  ?   ?    87.206   3.4158 0.000000 3.415784 
1 1 1    1   10   62 o  160.747   3.2297  3956.59  158.462  3918.23  250.008  3982.35  204.870  159.562   5.1334  161.092   4.1667 -1.530014 6.611590 
1 1 1    1   11    5 o  636.171   26.206 62383.70  5088.49 71006.66  7197.15 53765.23  7195.27  675.222   35.042  585.270   40.528 89.95227 53.57687 
1 1 1    1   11    6 o  458.174   27.859 32506.95  3877.42 32506.95  3877.42   0.0000   0.0000  458.174   27.859  ?   ?  0.000000 27.85877 
1 1 1    1   11    7 o  700.649   23.761 75511.55  5081.39 85308.51  8801.21 70613.03  6223.42  738.780   39.171  675.921   30.166 62.85968 49.44032 
1 1 1    1   11    8 o  918.082   31.177 130344.50  8736.40 140199.80 15131.11 125416.10 10700.13  939.255   52.997  897.201   39.074 42.05420 65.84356 
1 1 1    1   11    9 o  633.418   21.576 61612.42  4171.36 65739.84  7224.23 59548.03  5109.13  649.553   36.587  621.643   26.927 27.90973 45.42804 
1 1 1    1   11   10 o  779.795   17.779 93185.88  4231.58 92163.79  5049.83 95595.75  7754.08  774.798   21.354  786.074   32.318 -11.27618 38.73571 
1 1 1    1   11   11 o  441.767   18.851 29920.43  2541.79   0.0000   0.0000 29920.43  2541.79  ?   ?   441.767   18.851 0.000000 18.85083 
1 1 1    1   11   12 o  408.117   17.451 25517.85  2173.80 24105.69  3073.82 26930.75  3074.61  394.969   25.636  417.831   24.212 -22.86179 35.26271 
1 1 1    1   11   13 o  621.490   11.054 59037.78  2096.81 59689.41  2832.96 58248.32  3118.20  624.519   14.862  616.725   16.565 7.794250 22.25496 
1 1 1    1   11   14 o  492.931   14.644 37183.27  2203.25 38094.86  3115.79 36271.59  3115.94  498.286   20.487  486.150   20.999 12.13614 29.33720 
1 1 1    1   11   15 o  213.677   4.2539  6969.54  277.438  7165.46  392.640  6774.19  392.075  216.636   5.9381  210.635   6.0985 6.000397 8.511900 
1 1 1    1   11   16 o  445.092   11.360 30284.68  1543.31 32306.13  3698.46 29858.48  1698.23  457.219   26.617  441.864   12.592 15.35507 29.44537 
1 1 1    1   11   17 o  408.805   10.506 25542.49  1310.84 25261.51  1442.39 26875.55  3141.76  406.483   11.626  417.213   24.783 -10.72952 27.37434 
1 1 1    1   11   18 o  1249.56   52.189 247203.41 19904.44 233686.41 28146.22 260725.91 28152.04  1186.72   78.143  1259.42   73.555 -72.69617 107.3160 
1 1 1    1   11   19 o  381.764   6.6121 22255.84  770.467 22700.14  1090.12 21812.38  1089.09  385.442   9.2661  377.821   9.4441 7.621033 13.23074 
1 1 1    1   11   20 o  499.679   6.5567 38127.54  999.987 38131.60  1414.38 38123.48  1414.01  499.551   9.2762  499.498   9.2747 0.5307007E-01 13.11749 
1 1 1    1   11   21 o  170.110   5.8953  4418.46  306.091  4625.26  490.279  4286.36  391.837  173.733   9.2794  167.518   7.6635 6.214417 12.03478 
1 1 1    1   11   22 o  357.941   8.5008 19574.30  928.732 19405.53  2412.33 19603.67  1006.30  354.550   22.407  358.176   9.2048 -3.625427 24.22391 
1 1 1    1   11   23 o  169.664   5.3715  4395.01  278.165  4855.10  687.807  4305.05  304.148  177.682   12.768  167.910   5.9346 9.772507 14.07950 
1 1 1    1   11   24 o  183.372   4.9631  5133.61  277.783  5441.82  551.839  5029.01  321.483  188.448   9.6262  181.481   5.8038 6.967163 11.24045 
1 1 1    1   11   25 o  178.770   4.7699  4879.10  260.267  6007.36  748.579  4723.96  277.585  197.758   12.466  175.899   5.1703 21.85892 13.49537 
1 1 1    1   11   26 o  545.927   8.1501 45536.80  1358.04 45358.59  2284.22 45634.24  1688.95  544.271   13.750  546.337   10.128 -2.065491 17.07771 
1 1 1    1   11   27 o  338.834   7.6564 17540.46  791.819 17221.12  918.180 18467.06  1564.05  335.667   8.9619  347.148   14.761 -11.48102 17.26867 
1 1 1    1   11   28 o  415.435   7.2275 26366.95  916.453 26003.26  2209.03 26442.55  1007.22  411.475   17.589  415.985   7.9329 -4.509857 19.29517 
1 1 1    1   11   29 o  300.681   4.9117 13805.09  450.769 13696.07  571.536 13984.52  733.219  299.439   6.2534  302.493   7.9415 -3.053345 10.10804 
1 1 1    1   11   30 o  606.876   10.442 56369.02  1934.20 56334.15  4635.90 56376.36  2128.30  602.509   25.209  606.730   11.493 -4.221558 27.70501 
1 1 1    1   11   31 o  370.819   5.2981 21003.24  599.646 20374.39  754.779 22079.38  987.380  365.125   6.7727  379.940   8.5144 -14.81467 10.87952 
1 1 1    1   11   32 o  486.269   7.0298 36150.09  1043.37 35773.73  1337.30 36735.62  1668.01  483.448   9.0628  489.533   11.163 -6.084686 14.37906 
1 1 1    1   11   33 o  236.106   3.2377  8511.14  233.324  8734.14  368.481  8361.89  301.458  239.105   5.0490  233.991   4.2209 5.114029 6.580965 
1 1 1    1   11   34 o  560.703   6.8250 48082.30  1168.03 47688.79  1885.27 48327.44  1488.02  557.427   11.081  561.759   8.6784 -4.331970 14.07473 
1 1 1    1   11   35 o  212.759   3.5387  6912.53  229.802  7016.15  377.190  6851.36  289.796  214.236   5.7683  211.775   4.4833 2.460602 7.305742 
1 1 1    1   11   36 o  117.617   3.1991  2112.36  114.845  2286.00  280.484  2077.39  125.881  121.969   7.5717  116.633   3.5361 5.336456 8.356681 
1 1 1    1   11   37 o  221.004   4.6738  7463.21  315.274  7622.98  448.466  7307.10  443.309  223.221   6.5823  218.542   6.6459 4.679092 9.353876 
1 1 1    1   11   38 f  201.620   3.7497  6208.96  230.750  5931.79  399.460  6347.77  282.685  196.890   6.6471  203.820   4.5440 -6.930588 8.051838 
1 1 1    1   11   39 o  283.051   4.5921 12243.25  396.724 13022.48  712.681 11893.37  477.557  291.522   8.0095  278.885   5.6102 12.63666 9.778928 
1 1 1    1   11   40 o  205.484   3.6165  6449.46  226.820  6275.16  379.784  6546.10  282.794  202.522   6.1439  206.970   4.4766 -4.447891 7.601815 
1 1 1    1   11   41 o  127.763   2.5556  2492.27   99.659  2500.69  146.308  2484.98  136.120  127.945   3.7465  127.551   3.4964 0.3944092 5.124575 
1 1 1    1   11   42 o  173.516   2.5939  4597.03  137.376  4790.66  276.760  4533.73  158.248  177.007   5.1226  172.303   3.0091 4.704849 5.941035 
1 1 1    1   11   43 o  220.469   3.6941  7425.44  248.583  7447.67  377.804  7408.48  330.103  220.653   5.6097  220.131   4.9130 0.5214844 7.457002 
1 1 1    1   11   44 o  166.967   3.7657  4259.04  191.906  4240.12  198.688  4522.09  740.831  166.588   3.9076  170.229   14.393 -3.640549 14.91421 
1 1 1    1   11   45 o  140.826   2.7647  3028.36  118.835  3028.36  118.835   0.0000   0.0000  140.826   2.7647  ?   ?  0.000000 2.764678 
1 1 1    1   11   46 o  256.245   4.2381 10034.62  331.471  9999.28  351.774 10314.54  990.020  255.770   4.5061  258.403   12.552 -2.632736 13.33678 
1 1 1    1   11   47 o  215.391   4.6716  7092.43  307.118  6220.91  470.022  7741.75  405.703  201.430   7.6450  224.917   5.9098 -23.48700 9.662865 
1 1 1    1   11   48 o  202.144   3.3067  6241.70  204.022  5652.95  403.207  6444.32  236.538  192.085   6.8773  205.370   3.7735 -13.28603 7.844535 
1 1 1    1   11   49 o  269.461   3.4793 11092.73  286.157 10910.08  591.418 11148.56  326.980  266.759   7.2637  270.095   3.9663 -3.335938 8.276053 
1 1 1    1   11   50 o  229.083   3.3694  8017.40  235.591  8143.82  326.073  7879.33  340.764  230.774   4.6293  226.966   4.9190 3.807632 6.754733 
1 1 1    1   11   51 o  103.239   2.5077  1627.61   79.020  1627.13  111.414  1628.11  112.091  103.192   3.5374  103.222   3.5578 -0.3036499E-01 5.017048 
1 1 1    1   11   52 f   72.008   2.8563  792.017   62.778  842.189  104.232  763.457   78.641   74.056   4.6346   70.583   3.6629 3.473160 5.907347 
1 1 1    1   11   53 o  130.320   2.8432  2594.33  113.091  2617.91  237.434  2587.42  128.618  130.699   5.9519  130.128   3.2383 0.5714264 6.775787 
1 1 1    1   11   54 o  128.398   2.0633  2517.38   80.863  2617.57  124.335  2443.94  106.451  130.882   3.1124  126.484   2.7574 4.398018 4.158152 
1 1 1    1   11   55 o  113.951   3.0228  1984.29  105.135  2038.36  130.811  1885.64  176.694  115.454   3.7121  110.937   5.2183 4.518028 6.403925 
1 1 1    1   11   56 o  202.331   4.1563  6265.33  256.673  6291.89  267.332  5952.05  918.144  202.736   4.3202  193.036   15.720 9.699478 16.30250 
1 1 1    1   11   57 o   84.969   3.9223  1105.01  101.724  1056.84  151.602  1144.46  137.194   82.716   6.0467   86.219   5.2381 -3.503090 8.000017 
1 1 1    1   11   58 o   58.055   5.9999  523.763  104.782   0.0000   0.0000  523.763  104.782  ?   ?    58.055   5.9999 0.000000 5.999874 
1 1 1    1   11   59 o  124.205   2.4235  2357.75   91.875  2433.65  141.686  2302.68  120.687  126.068   3.6822  122.677   3.2231 3.391205 4.893566 
1 1 1    1   11   60 o  156.954   3.2956  3770.96  157.877   0.0000   0.0000  3770.96  157.877  ?   ?   156.954   3.2956 0.000000 3.295550 
1 1 1    1   11   61 o   12.294   5.4721 -15.7935   41.375  120.462  113.964 -36.4803   44.405   29.242   10.289   11.563   5.3463 17.67942 11.59512 
1 1 1    1   12    3 o  418.238   25.594 27025.87  3251.56 27025.87  3251.56   0.0000   0.0000  418.238   25.594  ?   ?  0.000000 25.59445 
1 1 1    1   12    4 o  738.894   44.411 85771.50  9969.48 85771.50  9969.48   0.0000   0.0000  738.894   44.411  ?   ?  0.000000 44.41141 
1 1 1    1   12    5 o  655.355   39.363 67100.14  7837.30 67100.14  7837.30   0.0000   0.0000  655.355   39.363  ?   ?  0.000000 39.36320 
1 1 1    1   12    7 o  618.534   25.936 58894.62  4896.56 61183.43  6923.55 56604.17  6926.02  626.844   36.343  602.336   37.865 24.50732 52.48435 
1 1 1    1   12    8 o  687.354   28.638 72862.32  6008.04 78562.57  8496.61 67161.97  8496.69  709.414   39.395  654.438   42.772 54.97638 58.14992 
1 1 1    1   12    9 o  875.253   20.903 117565.60  5584.19 118890.60  6148.07 111320.10 13347.93  879.681   22.898  837.947   52.453 41.73425 57.23350 
1 1 1    1   12   10 o  630.388   21.549 61008.75  4146.16 62892.42  7179.86 60066.32  5078.51  635.294   37.190  624.520   26.642 10.77405 45.74805 
1 1 1    1   12   11 o  390.608   13.703 23341.12  1633.72 22381.77  2827.71 23821.80  2001.59  380.721   24.463  394.383   16.628 -13.66190 29.57946 
1 1 1    1   12   12 o  131.902   4.5417  2655.87  182.848  2401.32  214.967  3321.93  347.727  125.413   5.6158  147.275   7.7630 -21.86198 9.581319 
1 1 1    1   12   13 o  546.954   13.834 45771.01  2309.46 49133.24  5526.90 45059.76  2542.02  562.630   32.320  542.529   15.351 20.10126 35.78022 
1 1 1    1   12   14 o  618.809   15.416 58626.23  2911.70 58130.88  3205.21 60965.36  6965.02  615.969   17.048  625.383   36.649 -9.413391 40.41999 
1 1 1    1   12   15 o  762.029   31.680 89843.80  7368.36 92620.09 10421.11 87068.23 10419.75  767.367   44.687  743.201   46.162 24.16669 64.24831 
1 1 1    1   12   16 o  674.450   15.228 69646.30  3134.88 69907.92  3397.91 68150.00  8126.12  675.528   16.480  659.515   40.565 16.01294 43.78482 
1 1 1    1   12   17 o  779.801   19.329 93298.52  4600.64 92492.71  5064.99 97098.67 10999.18  775.963   21.386  784.533   46.137 -8.570496 50.85222 
1 1 1    1   12   18 o  259.006   4.7092 10241.10  372.285 10879.57  773.164 10048.39  424.770  266.824   9.4936  256.543   5.4247 10.28088 10.93411 
1 1 1    1   12   19 o  684.838   15.856 71844.95  3314.26 77683.66  8590.50 70823.91  3592.38  703.945   40.148  679.708   17.316 24.23633 43.72316 
1 1 1    1   12   20 o  511.802   11.973 40063.14  1870.39 43383.83  4851.98 39483.54  2027.06  528.662   30.195  507.979   13.074 20.68323 32.90348 
1 1 1    1   12   21 o   82.961   7.7078  1060.39  192.942  984.744  298.857  1114.45  252.650   79.229   12.794   84.810   9.9491 -5.581505 16.20742 
1 1 1    1   12   22 o  506.836   13.490 39318.35  2086.87 40996.46  3296.99 38196.62  2695.57  516.477   20.915  499.026   17.697 17.45099 27.39742 
1 1 1    1   12   23 o  528.442   18.164 42851.77  2929.71   0.0000   0.0000 42851.77  2929.71  ?   ?   528.442   18.164 0.000000 18.16398 
1 1 1    1   12   24 o  494.118   6.0083 37284.09  906.155 37578.16  1432.98 37088.13  1169.72  495.831   9.4687  492.713   7.7781 3.117767 12.25373 
1 1 1    1   12   25 o  350.704   4.8423 18778.41  518.329 19277.14  915.663 18543.25  628.768  355.173   8.4465  348.464   5.9117 6.708557 10.30983 
1 1 1    1   12   26 o  115.086   2.5122  2021.57   88.246  2179.89  111.164  1751.78  145.111  119.504   3.0476  107.118   4.4384 12.38673 5.383974 
1 1 1    1   12   27 o  455.402   7.7253 31691.90  1073.81 32887.03  1462.33 30293.34  1581.90  463.669   10.333  444.867   11.650 18.80124 15.57221 
1 1 1    1   12   28 o  211.918   3.5444  6855.84  229.262  6895.64  244.284  6561.75  664.029  212.528   3.7658  206.801   10.555 5.727692 11.20686 
1 1 1    1   12   29 o  473.252   13.898 34370.11  2007.46 34611.84  2843.56 34129.93  2834.40  473.600   19.671  470.272   19.747 3.328461 27.87288 
1 1 1    1   12   30 o  132.115   3.5025  2664.81  141.236  2558.51  203.348  2763.88  196.314  129.422   5.1477  134.524   4.7812 -5.102295 7.025557 
1 1 1    1   12   31 o  303.314   6.9709 14066.28  645.359 14079.04  747.695 14029.02  1277.99  303.356   8.0752  302.086   13.861 1.269531 16.04135 
1 1 1    1   12   32 o  157.317   4.4502  3780.17  213.683  4073.39  480.939  3708.04  238.518  162.754   9.7260  155.791   5.0161 6.962891 10.94329 
1 1 1    1   12   33 o  238.061   2.8950  8652.42  210.355  8192.72  301.579  9087.98  293.558  231.596   4.2663  243.937   3.9427 -12.34128 5.809185 
1 1 1    1   12   34 o  356.029   7.1612 19395.91  778.199 18631.58  1010.21 20511.48  1220.44  348.594   9.4945  365.479   10.941 -16.88541 14.48589 
1 1 1    1   12   35 o  156.406   2.6118  3734.73  124.686  3521.77  175.990  3949.36  176.677  151.850   3.7971  160.811   3.5996 -8.960754 5.232110 
1 1 1    1   12   36 o   79.933   2.7904  975.524   68.078  982.090   86.739  964.990  109.862   80.191   3.5438   79.340   4.5558 0.8505173 5.771828 
1 1 1    1   12   37 o  324.129   5.6058 16064.18  554.594 15728.57  783.441 16401.29  785.192  320.405   8.0111  327.208   7.8620 -6.803864 11.22446 
1 1 1    1   12   38 o  135.653   2.5727  2809.51  106.521  2655.69  204.985  2866.42  124.677  131.805   5.0953  137.010   2.9814 -5.204803 5.903488 
1 1 1    1   12   39 o  143.680   3.0077  3152.41  131.899  3339.92  171.413  2880.23  206.521  147.864   3.7981  137.266   4.9293 10.59799 6.222805 
1 1 1    1   12   40 o  417.530   6.9707 26696.40  888.342 27929.03  1256.29 25463.72  1256.32  426.391   9.6531  407.008   10.113 19.38354 13.98050 
1 1 1    1   12   41 o  137.686   4.1794  2896.83  175.640  2879.66  204.665  2944.81  342.153  137.245   4.8857  138.339   8.1391 -1.093399 9.492904 
1 1 1    1   12   42 o   71.831   3.2696  788.068   71.684  875.123  102.562  704.922  100.232   75.537   4.4683   67.728   4.8814 7.808647 6.617685 
1 1 1    1   12   43 f  101.929   2.4658  1586.29   76.713  1515.92   89.322  1784.12  149.758   99.633   2.9372  108.038   4.5415 -8.405586 5.408539 
1 1 1    1   12   44 o  445.834   9.8071 30558.82  1334.53 31129.67  2156.06 30204.28  1699.14  447.368   15.790  442.188   12.589 5.180145 20.19438 
1 1 1    1   12   45 o  209.446   3.2503  6700.24  207.783  6386.49  256.489  7299.29  354.410  204.433   4.1105  218.458   5.3152 -14.02498 6.719230 
1 1 1    1   12   46 o  134.663   3.3458  2769.96  137.520  2829.35  153.578  2529.70  308.905  136.085   3.6974  128.183   7.9345 7.902786 8.753690 
1 1 1    1   12   47 o   81.864   2.4503  1023.26   61.224  972.262   93.867  1061.02   80.769   79.768   3.8554   83.346   3.1750 -3.578224 4.994442 
1 1 1    1   12   48 o  114.259   3.0803  1994.01  107.422  2135.28  132.124  1718.53  184.506  118.216   3.6617  105.810   5.7345 12.40644 6.803845 
1 1 1    1   12   49 f  116.353   3.4385  2068.34  122.115  2116.52  163.123  2006.92  184.182  117.652   4.5425  114.527   5.2689 3.124702 6.956740 
1 1 1    1   12   50 o   62.080   4.9044  593.231   92.174  609.049  238.543  590.455   99.936   61.517   13.106   61.884   5.3432 -0.3671417 14.15294 
1 1 1    1   12   51 o  117.604   2.6666  2112.33   95.719  2133.46  142.679  2095.04  129.074  118.135   3.9570  117.084   3.6118 1.051895 5.357510 
1 1 1    1   12   52 o  308.214   6.8760 14578.36  646.857 14663.20  792.686 14409.24  1119.11  308.684   8.4134  304.682   12.034 4.001923 14.68340 
1 1 1    1   12   53 o  239.747   4.0189  8790.27  294.087  8734.33  369.319  8887.22  486.169  238.836   5.0662  240.635   6.6193 -1.799133 8.335575 
1 1 1    1   12   54 o  129.807   3.3156  2575.54  131.364  3188.15  212.315  2195.57  167.212  144.294   4.8207  119.764   4.5743 24.53036 6.645575 
1 1 1    1   12   55 o  102.065   3.0106  1592.12   93.789  1596.70   95.608  1475.25  482.984  102.209   3.0647   94.748   17.340 7.460495 17.60887 
1 1 1    1   12   56 o   66.316   3.3612  674.274   67.813  698.386   85.815  634.183  110.655   67.410   4.1916   64.020   5.7232 3.389946 7.094020 
1 1 1    1   12   57 o  219.897   3.0216  7393.77  202.804  7535.52  273.321  7220.13  302.512  221.827   4.0368  217.031   4.5667 4.796249 6.095169 
1 1 1    1   12   58 o  150.441   3.0067  3461.56  138.060  3356.68  227.609  3522.61  173.654  147.851   5.0437  151.670   3.7512 -3.818344 6.285697 
1 1 1    1   12   59 o   33.736   10.218  180.299  114.284  167.148  119.364  325.008  395.954   32.879   10.520   49.497   18.874 -16.61865 21.60804 
1 1 1    1   12   60 o  117.989   10.847  2217.36  386.257  2250.55  435.686  2095.46  834.914  118.207   12.254  104.910   26.163 13.29745 28.89033 
1 1 1    1   13    3 o  1339.60   84.820 300321.00 34501.95 300321.00 34501.95   0.0000   0.0000  1339.60   84.820  ?   ?  0.000000 84.81985 
1 1 1    1   13    4 o  415.586   25.485 26677.88  3217.03 26677.88  3217.03   0.0000   0.0000  415.586   25.485  ?   ?  0.000000 25.48468 
1 1 1    1   13    5 o  525.252   31.697 42804.78  5057.87 42804.78  5057.87   0.0000   0.0000  525.252   31.697  ?   ?  0.000000 31.69730 
1 1 1    1   13    6 o  1129.30   47.341 200348.91 16317.90 205068.30 23076.89 195629.50 23077.09  1124.36   67.558  1096.40   69.316 27.95984 96.79244 
1 1 1    1   13    7 o  512.392   21.944 40321.91  3431.87 44845.99  4851.08 35789.17  4855.71  538.185   29.646  479.643   33.376 58.54285 44.64121 
1 1 1    1   13    8 o  1086.88   45.508 185253.09 15096.99 189006.70 21350.25 181499.50 21350.48  1081.26   64.995  1058.17   66.442 23.08435 92.94580 
1 1 1    1   13    9 o  1007.75   61.576 163406.50 18849.16   0.0000   0.0000 163406.50 18849.16  ?   ?   1007.75   61.576 0.000000 61.57567 
1 1 1    1   13   10 o  214.368   10.469  7023.52  685.001  6613.32  963.495  7442.79  974.068  207.274   15.338  220.040   14.586 -12.76561 21.16657 
1 1 1    1   13   11 o  265.265   7.2037 10746.29  583.246 10659.59  640.924 11163.98  1406.80  264.172   7.9488  269.376   17.200 -5.203979 18.94788 
1 1 1    1   13   12 o  705.148   29.390 76803.18  6325.51 75040.80  8945.61 78565.58  8945.65  691.259   42.606  707.828   41.589 -16.56848 59.53942 
1 1 1    1   13   13 o  1159.24   21.893 206487.59  7746.43 205574.50 10955.13 207400.80 10955.10  1152.68   31.138  1157.86   30.999 -5.179199 43.93729 
1 1 1    1   13   14 o  520.146   17.848 41480.08  2833.48 42001.78  4908.35 41219.32  3470.08  520.098   31.061  517.898   21.952 2.199951 38.03567 
1 1 1    1   13   15 o  485.737   11.123 36073.03  1649.10 36142.34  1966.78 35908.94  3026.24  486.017   13.258  483.574   20.503 2.442444 24.41650 
1 1 1    1   13   16 o  650.152   21.982 64977.68  4362.10 65058.14  5342.84 64816.81  7554.33  649.375   26.956  643.431   38.645 5.943604 47.11779 
1 1 1    1   13   17 o  330.061   14.521 16679.41  1462.89 17770.26  2069.96 15590.92  2067.72  339.604   20.059  317.798   21.442 21.80637 29.36192 
1 1 1    1   13   18 o  308.790   19.709 14698.69  1847.91   0.0000   0.0000 14698.69  1847.91  ?   ?   308.790   19.709 0.000000 19.70934 
1 1 1    1   13   19 o  146.174   8.8061  3276.72  391.055  3059.56  556.226  3488.96  549.899  140.795   13.093  150.544   12.069 -9.749557 17.80717 
1 1 1    1   13   20 o  264.313   6.8913 10669.99  555.949 12512.11  1096.29 10032.24  645.046  285.963   12.560  256.249   8.2473 29.71335 15.02587 
1 1 1    1   13   21 o  275.499   5.5834 11589.27  469.496 11546.39  730.487 11619.45  612.835  274.884   8.7065  275.806   7.2799 -0.9216919 11.34901 
1 1 1    1   13   22 o  269.210   4.2613 11063.93  350.148 11778.41  561.545 10609.42  447.880  277.703   6.6250  263.592   5.5669 14.11066 8.653381 
1 1 1    1   13   23 o  170.885   2.8707  4457.19  149.731  4516.01  213.201  4399.94  210.331  171.995   4.0612  169.771   4.0591 2.224747 5.741894 
1 1 1    1   13   24 o  266.876   4.3782 10873.60  356.634 10801.60  380.479 11394.56  1023.51  265.983   4.6866  272.832   12.291 -6.848175 13.15407 
1 1 1    1   13   25 o  569.490   10.975 49625.48  1907.76 50332.73  2173.15 47248.75  3983.75  573.322   12.419  553.050   23.600 20.27124 26.66790 
1 1 1    1   13   26 o  291.632   4.4984 12985.96  400.413 12732.66  498.603 13446.01  671.960  288.733   5.6577  296.627   7.4219 -7.894287 9.332460 
1 1 1    1   13   27 f  342.602   5.1135 17926.09  534.717 19036.20  831.759 17144.11  698.091  352.886   7.7223  334.951   6.8283 17.93539 10.30824 
1 1 1    1   13   28 o  455.011   7.0157 31645.86  974.342 30933.51  1234.76 32821.34  1586.17  449.632   8.9972  462.814   11.229 -13.18240 14.38859 
1 1 1    1   13   29 o  116.473   2.9409  2070.96  104.551  1998.67  185.943  2104.38  126.429  114.380   5.3261  117.400   3.5283 -3.020325 6.388757 
1 1 1    1   13   30 o  296.716   5.2476 13451.39  475.244 13986.29  701.540 12997.72  646.074  302.369   7.6015  291.518   7.2611 10.85107 10.51217 
1 1 1    1   13   31 o  345.658   3.9575 18247.15  417.524 17886.86  590.586 18607.16  590.351  342.099   5.6561  348.930   5.5431 -6.830322 7.919425 
1 1 1    1   13   32 o  285.421   4.0650 12442.83  354.127 12703.50  453.896 12037.33  566.117  288.322   5.1578  280.539   6.6114 7.782318 8.385317 
1 1 1    1   13   33 o  128.577   3.3547  2524.49  131.653  2415.98  184.969  2635.90  187.426  125.743   4.8195  131.346   4.6752 -5.603203 6.714478 
1 1 1    1   13   34 o  173.626   3.8099  4604.40  201.903  4646.91  286.672  4562.55  284.409  174.354   5.3869  172.764   5.3935 1.590103 7.622899 
1 1 1    1   13   35 o  271.074   3.8826 11224.20  321.241 11160.33  380.511 11382.65  599.359  270.252   4.6130  272.682   7.2013 -2.429779 8.552131 
1 1 1    1   13   36 o   66.191   3.1964  669.067   64.578  714.484   90.204  621.315   92.494   68.244   4.3533   63.580   4.8017 4.664436 6.481274 
1 1 1    1   13   37 o   29.600   3.4976  135.689   30.990   97.541   41.817  182.163   46.155   24.764   5.6565   34.229   4.5291 -9.465313 7.246263 
1 1 1    1   13   38 o  224.569   3.7504  7703.88  257.064  7544.21  429.720  7792.85  320.793  222.030   6.3410  225.803   4.6546 -3.773483 7.865946 
1 1 1    1   13   39 o  352.836   4.5632 19027.60  491.427 19863.32  849.115 18606.69  602.606  359.999   7.7277  348.771   5.6608 11.22763 9.579201 
1 1 1    1   13   40 o  208.227   4.0527  6625.08  257.575  6704.81  364.369  6545.45  364.162  209.351   5.7023  206.842   5.7682 2.508667 8.110974 
1 1 1    1   13   41 o  137.616   3.7988  2893.36  159.564  2893.36  159.564   0.0000   0.0000  137.616   3.7988  ?   ?  0.000000 3.798824 
1 1 1    1   13   42 o  146.701   8.6261  3314.47  384.546  3314.47  384.546   0.0000   0.0000  146.701   8.6261  ?   ?  0.000000 8.626074 
1 1 1    1   13   43 o  153.851   3.9820  3616.77  186.991  3616.77  186.991   0.0000   0.0000  153.851   3.9820  ?   ?  0.000000 3.982032 
1 1 1    1   13   44 o  231.640   4.9556  8204.54  350.371  8208.32  437.231  8197.78  585.701  231.568   6.1861  231.141   8.3020 0.4273987 10.35330 
1 1 1    1   13   45 o  204.007   2.9381  6355.99  182.949  6384.58  223.085  6297.28  319.706  204.431   3.5753  202.915   5.1620 1.516464 6.279251 
1 1 1    1   13   46 o  166.980   2.9788  4258.36  151.820  4134.18  310.354  4297.42  174.069  164.324   6.1879  167.725   3.4002 -3.401627 7.060525 
1 1 1    1   13   47 o  184.573   3.0162  5203.23  169.921  5010.04  243.694  5386.03  237.053  181.031   4.4104  187.720   4.1373 -6.689484 6.047207 
1 1 1    1   13   48 o  178.528   2.9304  4868.00  159.680  4651.21  275.063  4978.20  196.108  174.358   5.1686  180.503   3.5596 -6.144058 6.275731 
1 1 1    1   13   49 o   40.414   4.1393  252.294   50.339  222.882   72.541  279.612   69.911   37.595   6.5603   42.382   5.5367 -4.787205 8.584453 
1 1 1    1   13   50 o  152.636   3.3899  3559.96  157.927  3762.56  274.622  3459.85  193.041  156.736   5.7405  150.424   4.2045 6.312439 7.115538 
1 1 1    1   13   51 o  171.617   5.2890  4509.69  277.045  5489.87  1021.37  4431.84  287.837  185.232   18.305  170.102   5.5440 15.13002 19.12612 
1 1 1    1   13   52 o  100.400   3.1028  1540.28   95.085  1441.04  140.567  1624.00  129.104   97.031   4.7463  103.044   4.1049 -6.013466 6.275134 
1 1 1    1   13   53 o   68.302   2.9534  712.859   61.570  717.533   64.727  668.416  199.582   68.522   3.0948   64.898   10.429 3.623375 10.87831 
1 1 1    1   13   54 o  126.065   3.0579  2429.02  117.663  2458.76  147.480  2376.93  195.166  126.782   3.8112  124.536   5.1344 2.246048 6.394340 
1 1 1    1   13   55 o  164.426   3.3319  4134.36  167.216  4116.70  274.681  4144.76  210.773  163.790   5.4945  164.535   4.1970 -0.7453918 6.914044 
1 1 1    1   13   56 o   85.150   3.0251  1108.64   78.621  1366.84  153.890  1017.44   91.457   94.203   5.3745   81.535   3.6749 12.66706 6.510775 
1 1 1    1   13   57 o   71.023   2.9282  771.398   63.477  773.558  133.906  770.771   72.091   70.591   6.2805   70.973   3.3279 -0.3816071 7.107688 
1 1 1    1   13   58 o   84.922   2.8853  1103.07   74.786  1078.32  143.646  1112.27   87.594   83.507   5.6694   85.240   3.3668 -1.733215 6.593693 
1 1 1    1   13   59 o  138.439   3.7463  2937.29  158.297   0.0000   0.0000  2937.29  158.297  ?   ?   138.439   3.7463 0.000000 3.746260 
1 1 1    1   14    1 o  1080.36   66.560 189601.20 21841.30 189601.20 21841.30   0.0000   0.0000  1080.36   66.560  ?   ?  0.000000 66.56004 
1 1 1    1   14    2 o  535.442   32.325 44540.51  5258.11 44540.51  5258.11   0.0000   0.0000  535.442   32.325  ?   ?  0.000000 32.32520 
1 1 1    1   14    3 o  620.762   37.343 60150.01  7042.46 60150.01  7042.46   0.0000   0.0000  620.762   37.343  ?   ?  0.000000 37.34286 
1 1 1    1   14    4 o  746.582   44.960 87750.09 10197.34 87750.09 10197.34   0.0000   0.0000  746.582   44.960  ?   ?  0.000000 44.95962 
1 1 1    1   14    5 o  540.285   21.665 44841.99  3572.75 32693.94  5050.19 57013.57  5055.08  457.221   36.492  608.059   27.237 -150.8377 45.53614 
1 1 1    1   14    6 o  430.218   18.119 28377.54  2379.30 26345.14  3361.29 30418.53  3368.40  412.544   26.840  443.816   24.967 -31.27264 36.65749 
1 1 1    1   14    7 o  194.210   9.8099  5778.67  579.623  5389.91  810.216  6186.21  829.546  187.116   14.295  200.609   13.629 -13.49297 19.75035 
1 1 1    1   14    8 o  616.672   25.775 58590.65  4851.34 58232.09  6859.94 58949.41  6861.73  610.680   36.978  614.527   36.751 -3.846619 52.13454 
1 1 1    1   14    9 o  414.426   9.8996 26248.18  1252.22 27045.41  1377.87 22465.49  3001.35  420.620   10.733  380.952   25.967 39.66757 28.09785 
1 1 1    1   14   10 o  169.733   9.2667  4415.27  478.261  4306.17  669.043  4529.27  683.928  167.245   13.214  171.555   13.162 -4.310013 18.65055 
1 1 1    1   14   11 o  872.981   21.856 117133.70  5823.70 115221.70  6411.73 126146.60 13920.86  865.110   24.282  890.444   51.439 -25.33423 56.88263 
1 1 1    1   14   12 o  181.376   13.966  5064.94  767.227   0.0000   0.0000  5064.94  767.227  ?   ?   181.376   13.966 0.000000 13.96624 
1 1 1    1   14   13 o  279.806   7.4073 11958.20  632.604 12018.13  694.917 11668.29  1528.47  280.482   8.1173  275.203   18.301 5.278595 20.02015 
1 1 1    1   14   14 o  595.516   35.936 55401.09  6501.26   0.0000   0.0000 55401.09  6501.26  ?   ?   595.516   35.936 0.000000 35.93572 
1 1 1    1   14   15 o  1165.04   49.239 215121.70 17509.05 216018.50 24761.82 214224.80 24761.25  1142.71   71.352  1137.54   71.683 5.171387 101.1414 
1 1 1    1   14   17 o  609.224   14.355 56835.25  2669.25 62348.57  4895.98 54503.39  3184.08  635.840   25.228  596.104   17.500 39.73615 30.70324 
1 1 1    1   14   18 o  253.294   11.848  9814.58  916.000  9814.58  916.000   0.0000   0.0000  253.294   11.848  ?   ?  0.000000 11.84820 
1 1 1    1   14   19 o   80.155   2.9714  980.662   72.696  840.414  103.924  1115.04  101.727   74.051   4.6211   85.466   3.8996 -11.41557 6.046634 
1 1 1    1   14   20 o  441.342   7.8002 29759.38  1050.74 29839.14  1099.85 28925.59  3556.01  441.911   8.1542  431.632   27.130 10.27899 28.32878 
1 1 1    1   14   21 o   98.015   4.6130  1466.75  138.006  1497.43  149.783  1294.34  355.056   98.907   4.9775   91.008   13.164 7.898720 14.07405 
1 1 1    1   14   22 o  468.891   10.955 33636.60  1567.91 33349.47  2885.40 33756.90  1867.72  465.477   20.309  469.486   13.034 -4.009064 24.13175 
1 1 1    1   14   23 o  100.597   3.2184  1544.75   98.818  1908.77  151.166  1273.11  130.582  111.812   4.4295   91.191   4.7076 20.62053 6.463856 
1 1 1    1   14   24 o  326.752   7.2565 16315.25  723.702 16620.17  784.540 14574.80  1874.36  329.757   7.7948  306.847   20.125 22.91074 21.58144 
1 1 1    1   14   25 o  307.225   6.4458 14421.54  604.436 14800.92  1039.44 14227.72  742.966  310.896   10.954  305.059   7.9794 5.837250 13.55199 
1 1 1    1   14   26 o  128.620   4.4115  2526.26  173.187  2496.94  196.602  2627.83  365.917  127.859   5.0378  130.719   9.2305 -2.859558 10.51578 
1 1 1    1   14   27 o  363.278   11.400 20235.66  1264.00 19950.78  1788.90 20519.70  1786.23  359.829   16.288  364.977   16.035 -5.148468 22.85628 
1 1 1    1   14   28 o  282.276   5.5986 12175.70  482.359 11902.02  682.692 12448.52  681.627  278.898   8.0198  285.246   7.8291 -6.348694 11.20764 
1 1 1    1   14   29 o  164.356   3.4260  4124.67  171.868  4666.71  245.393  3602.79  240.788  174.785   4.5998  153.555   5.1375 21.22903 6.895823 
1 1 1    1   14   30 o  101.198   2.8698  1563.55   88.643  1439.00  219.096  1587.92   96.931   96.682   7.4829  101.980   3.1141 -5.298279 8.104970 
1 1 1    1   14   31 o  324.303   5.1929 16073.50  514.016 16331.07  651.239 15647.90  837.132  326.755   6.5298  319.585   8.5820 7.170013 10.78377 
1 1 1    1   14   32 o  159.812   3.7893  3900.83  184.837  3835.01  261.941  3966.11  260.860  158.392   5.4182  161.082   5.3057 -2.690018 7.583351 
1 1 1    1   14   33 o  117.201   2.7166  2097.20   97.181  2084.09  120.822  2121.22  163.554  116.820   3.3885  117.824   4.5479 -1.004082 5.671459 
1 1 1    1   14   34 o  122.642   3.0534  2296.76  114.298  2225.82  160.690  2369.40  162.611  120.697   4.3619  124.532   4.2781 -3.834999 6.109703 
1 1 1    1   14   35 o   62.185   2.3832  590.357   45.234  555.258   62.901  627.949   65.097   60.198   3.4377   64.035   3.3422 -3.837597 4.794595 
1 1 1    1   14   36 o  178.283   4.8250  4858.40  262.558  5053.62  734.737  4829.82  281.120  180.387   13.441  177.736   5.1820 2.651215 14.40548 
1 1 1    1   14   37 o  228.087   5.3987  7955.87  375.844  7451.00  459.449  8977.10  653.443  220.596   6.8238  241.863   8.8516 -21.26768 11.17650 
1 1 1    1   14   38 o  132.848   2.7698  2694.89  112.310  3044.72  177.304  2460.48  145.141  141.159   4.1152  126.909   3.7470 14.25040 5.565489 
1 1 1    1   14   39 o  115.594   2.4016  2040.07   84.733  1908.75  118.694  2176.54  121.001  111.785   3.4788  119.374   3.3210 -7.588905 4.809449 
1 1 1    1   14   40 o  314.136   5.5634 15095.88  533.429 14652.43  697.337 15721.37  828.192  309.207   7.3889  320.074   8.4774 -10.86798 11.24551 
1 1 1    1   14   41 o  274.824   6.8830 11569.14  577.367 11701.73  1083.12 11516.51  682.403  275.122   12.898  273.993   8.1599 1.128876 15.26279 
1 1 1    1   14   42 o  162.602   3.8662  4039.73  191.880  4174.32  265.071  3891.57  278.119  165.206   5.2568  159.482   5.7135 5.724701 7.763876 
1 1 1    1   14   43 o  131.809   4.1205  2655.01  165.770  2830.06  193.241  2167.24  322.566  136.059   4.6532  118.450   8.9891 17.60886 10.12208 
1 1 1    1   14   44 o  228.441   4.7426  7978.85  330.677  8107.23  390.430  7653.03  621.966  230.192   5.5569  223.169   9.1309 7.022781 10.68895 
1 1 1    1   14   45 o   52.813   3.4226  427.884   54.875  461.104   78.204  395.663   77.018   54.712   4.7296   50.612   5.0532 4.099854 6.921271 
1 1 1    1   14   46 o  101.098   2.7850  1560.92   85.938  1605.58  108.132  1484.34  141.591  102.515   3.4558   98.523   4.7085 3.991707 5.840574 
1 1 1    1   14   47 o  171.669   3.1475  4501.78  164.921  4365.08  254.491  4600.75  216.545  168.926   4.9358  173.490   4.0894 -4.563705 6.409788 
1 1 1    1   14   48 o  184.853   2.9466  5219.46  166.251  5020.85  235.113  5418.07  235.115  181.215   4.2508  188.259   4.0917 -7.044601 5.900102 
1 1 1    1   14   49 o  254.038   3.8159  9864.64  295.880  9975.64  432.362  9766.86  405.779  255.234   5.5500  252.593   5.2632 2.641846 7.648771 
1 1 1    1   14   50 o  171.140   3.3398  4475.80  174.456  4622.65  272.867  4374.27  226.884  173.765   5.1448  169.105   4.3957 4.660294 6.766943 
1 1 1    1   14   51 o  281.348   5.6268 12130.46  483.193 11811.66  706.645 12410.42  662.195  276.934   8.3600  284.081   7.6371 -7.146423 11.32321 
1 1 1    1   14   52 o  117.006   4.8761  2096.54  174.142  2341.48  361.805  2022.69  198.668  122.652   9.7449  114.858   5.6670 7.794525 11.27283 
1 1 1    1   14   53 f   77.899   7.0566  941.029  165.960  994.802  646.744  937.239  171.709   76.929   24.475   77.693   7.3275 -0.7639999 25.54851 
1 1 1    1   14   54 o  158.155   2.8486  3822.97  137.507  3995.34  197.170  3659.75  191.867  161.565   3.9983  154.623   4.0655 6.941986 5.702143 
1 1 1    1   14   55 o   80.781   2.9258  997.656   72.138  1117.51   87.136  736.572  128.608   85.472   3.3401   68.927   6.1787 16.54498 7.023701 
1 1 1    1   14   56 o   27.095   6.0114  117.401   48.415  101.316   59.147  150.061   84.282   25.316   7.2711   30.664   8.6368 -5.348789 11.29000 
1 1 1    1   14   57 o   59.576   3.5616  545.453   64.468  401.910   92.478  681.156   89.918   50.710   6.0971   66.482   4.4570 -15.77232 7.552458 
1 1 1    1   14   58 o   77.891   6.7006  945.103  157.751   0.0000   0.0000  945.103  157.751  ?   ?    77.891   6.7006 0.000000 6.700581 
1 1 1    1   15    1 o  873.016   53.051 121610.90 14069.33 121610.90 14069.33   0.0000   0.0000  873.016   53.051  ?   ?  0.000000 53.05148 
1 1 1    1   15    2 o  789.005   47.712 98575.03 11436.10 98575.03 11436.10   0.0000   0.0000  789.005   47.712  ?   ?  0.000000 47.71212 
1 1 1    1   15    3 o  551.106   33.286 47287.69  5572.79 47287.69  5572.79   0.0000   0.0000  551.106   33.286  ?   ?  0.000000 33.28616 
1 1 1    1   15    4 o  343.026   21.535 18153.04  2243.24 18153.04  2243.24   0.0000   0.0000  343.026   21.535  ?   ?  0.000000 21.53483 
1 1 1    1   15    5 o  597.507   24.980 55002.36  4555.61 58006.96  6443.13 51998.72  6442.08  609.998   34.750  576.704   36.790 33.29431 50.60667 
1 1 1    1   15    6 o  516.367   20.371 40950.32  3210.69 29870.71  4535.90 52075.96  4545.31  437.228   34.263  581.234   25.621 -144.0053 42.78314 
1 1 1    1   15    7 o  340.441   14.671 17746.49  1524.46 16140.95  2150.72 19367.64  2161.15  323.289   21.926  354.586   20.051 -31.29684 29.71132 
1 1 1    1   15    8 o  113.450   11.667  1989.10  398.255  1989.10  398.255   0.0000   0.0000  113.450   11.667  ?   ?  0.000000 11.66741 
1 1 1    1   15    9 o   70.682   12.939  788.404  268.854  788.404  268.854   0.0000   0.0000   70.682   12.939  ?   ?  0.000000 12.93893 
1 1 1    1   15   11 o  387.014   24.009 23156.84  2822.11   0.0000   0.0000 23156.84  2822.11  ?   ?   387.014   24.009 0.000000 24.00923 
1 1 1    1   15   12 o   80.992   14.070  1033.16  335.198   0.0000   0.0000  1033.16  335.198  ?   ?    80.992   14.070 0.000000 14.07007 
1 1 1    1   15   13 o  474.536   20.073 34595.73  2907.30   0.0000   0.0000 34595.73  2907.30  ?   ?   474.536   20.073 0.000000 20.07264 
1 1 1    1   15   14 o  349.006   15.298 18662.51  1629.63 18751.90  2303.97 18573.02  2305.31  348.474   21.771  346.779   21.892 1.694458 30.87454 
1 1 1    1   15   15 o  322.471   8.5939 15890.03  845.856 15669.91  930.067 16943.09  2034.30  320.183   9.5170  331.422   20.207 -11.23907 22.33574 
1 1 1    1   15   16 o  230.128   6.0493  8087.44  424.906  8000.04  459.471  8603.59  1116.65  228.868   6.5774  236.418   15.562 -7.550140 16.89453 
1 1 1    1   15   17 o  116.604   6.1403  2082.21  217.766  2187.88  312.322  1982.22  303.789  119.341   8.6325  113.543   8.8354 5.797745 12.35250 
1 1 1    1   15   18 o  490.699   16.803 36949.10  2516.59 41163.85  4361.25 34845.20  3081.33  514.749   27.862  475.748   21.220 39.00095 35.02282 
1 1 1    1   15   19 o  472.203   10.225 34102.00  1473.65 34061.37  2900.73 34116.13  1710.88  470.453   20.201  472.123   11.873 -1.670746 23.43163 
1 1 1    1   15   20 o  511.513   10.266 40023.05  1602.84 40514.07  1861.46 38615.01  3152.19  514.442   11.855  500.672   20.627 13.77005 23.79127 
1 1 1    1   15   21 o  270.333   6.8396 11165.38  564.346 10883.05  655.468 11974.33  1109.53  266.836   8.0480  279.545   13.004 -12.70923 15.29279 
1 1 1    1   15   22 o  167.802   2.9814  4298.18  152.697  4682.80  195.809  3701.31  243.924  175.139   3.6630  155.680   5.1334 19.45883 6.306288 
1 1 1    1   15   23 o  262.547   6.1173 10531.40  490.214 10077.58  982.656 10681.76  565.623  256.370   12.558  264.369   7.0097 -7.998718 14.38181 
1 1 1    1   15   24 o  321.899   6.5652 15836.21  645.037 15527.98  913.138 16143.21  911.306  318.511   9.3928  324.779   9.1930 -6.268616 13.14293 
1 1 1    1   15   25 o  137.278   3.3939  2877.26  142.208  3232.76  394.873  2824.28  152.436  145.051   8.9630  136.004   3.6721 9.047012 9.686081 
1 1 1    1   15   26 o  303.148   5.5974 14043.18  517.918 13847.92  765.217 14208.24  703.555  300.794   8.3349  304.760   7.5635 -3.966095 11.25508 
1 1 1    1   15   27 o  459.598   11.272 32424.63  1581.28 32982.13  2237.18 31868.03  2235.35  462.219   15.858  454.258   16.122 7.961182 22.61389 
1 1 1    1   15   28 o  200.250   3.2669  6122.99  199.678  6201.51  255.165  5998.95  320.716  201.497   4.1489  198.125   5.3035 3.372070 6.733581 
1 1 1    1   15   29 o  410.510   6.4268 25774.45  805.264 25729.06  1020.41 25849.38  1311.09  409.874   8.1566  410.362   10.468 -0.4886780 13.27033 
1 1 1    1   15   30 f  208.210   5.1968  6625.92  330.261  6806.44  668.290  6567.59  379.893  210.550   10.399  207.239   6.0058 3.310822 12.00874 
1 1 1    1   15   31 o  210.645   3.6771  6776.95  236.415  6905.11  294.365  6544.08  396.805  212.583   4.5367  206.836   6.2854 5.747009 7.751649 
1 1 1    1   15   32 o  202.274   4.0043  6250.21  247.222  6652.49  363.029  5902.31  337.603  208.576   5.7024  196.469   5.6298 12.10678 8.013296 
1 1 1    1   15   33 o  214.751   4.6341  7047.92  303.751  7457.93  409.976  6548.95  452.269  220.799   6.0834  206.811   7.1648 13.98816 9.399056 
1 1 1    1   15   34 f  252.378   9.7421  9782.82  750.451  9632.10  911.433 10100.11  1322.39  250.026   11.943  254.206   17.144 -4.179291 20.89356 
1 1 1    1   15   35 o  297.189   4.6221 13499.08  419.269 13570.00  1204.14 13489.29  447.257  296.348   13.312  297.050   4.9330 -0.7013855 14.19703 
1 1 1    1   15   36 o  303.343   4.2857 14061.72  396.797 13737.70  561.452 14385.06  560.860  299.616   6.1395  306.614   5.9930 -6.997894 8.579576 
1 1 1    1   15   37 o   76.139   3.4003  885.483   79.020  866.320  123.533  898.754  102.803   75.065   5.4283   76.557   4.4183 -1.491920 6.999098 
1 1 1    1   15   38 o  264.509   4.7378 10695.96  382.505 10731.66  521.019 10654.24  563.345  264.755   6.4475  263.723   6.9986 1.031799 9.515790 
1 1 1    1   15   39 o  455.701   10.670 31974.79  1484.12 31745.90  2735.75 32070.24  1766.68  449.129   19.957  455.539   12.706 -6.409332 23.65831 
1 1 1    1   15   40 o  123.460   8.0824  2348.04  302.886  2377.51  380.221  2296.85  501.054  123.907   10.142  121.020   13.812 2.887650 17.13612 
1 1 1    1   15   41 o  188.979   4.0738  5457.48  234.978  5576.38  336.021  5343.69  328.716  190.900   5.7669  186.875   5.7631 4.025131 8.152925 
1 1 1    1   15   42 o   34.934   4.7523  190.017   49.357  164.032   83.430  204.008   61.220   32.110   8.4119   36.069   5.7542 -3.958904 10.19174 
1 1 1    1   15   43 o  190.588   10.254  5608.25  594.292   0.0000   0.0000  5608.25  594.292  ?   ?   190.588   10.254 0.000000 10.25386 
1 1 1    1   15   44 o  227.660   6.0625  7935.24  421.268  8517.60  1171.11  7848.68  451.490  232.904   16.583  226.356   6.5349 6.547806 17.82375 
1 1 1    1   15   45 o   88.498   2.7790  1196.10   75.067  1221.36   94.960  1154.02  122.568   89.410   3.4797   86.749   4.6460 2.661476 5.804576 
1 1 1    1   15   46 o   64.090   3.5490  629.546   69.154  731.027  106.220  554.887   91.108   68.937   5.0841   60.016   5.0197 8.920853 7.144576 
1 1 1    1   15   47 o  287.205   4.9367 12620.59  432.761 12186.64  613.253 13051.06  610.788  281.834   7.1290  291.716   6.8598 -9.881592 9.893435 
1 1 1    1   15   48 o  237.523   4.1049  8626.26  297.597  8582.95  375.172  8699.76  488.727  236.791   5.1910  238.152   6.7235 -1.361023 8.494215 
1 1 1    1   15   49 o   49.955   4.8405  385.485   72.879  386.101   74.494  371.746  351.890   49.981   4.9481   51.204   18.073 -1.222427 18.73811 
1 1 1    1   15   50 o  112.780   3.7959  1944.88  130.665  1940.53  180.124  1949.70  189.835  112.556   5.2431  112.799   5.5138 -0.2435684 7.608698 
1 1 1    1   15   51 o  100.109   2.8973  1531.35   88.530  1509.18  117.441  1560.54  134.733   99.333   3.8735  100.979   4.3715 -1.645599 5.840728 
1 1 1    1   15   52 o   89.305   4.2285  1220.73  115.260  1172.91  187.642  1249.70  146.064   87.019   7.1273   90.124   5.3336 -3.105736 8.902043 
1 1 1    1   15   53 o  161.515   3.5697  3990.65  175.980  4241.98  223.230  3578.02  286.034  166.421   4.3947  152.582   6.1418 13.83920 7.552145 
1 1 1    1   15   54 o   78.058   3.1149  931.800   74.213  898.200   92.373  992.970  124.636   76.487   3.9704   80.280   5.1131 -3.792809 6.473676 
1 1 1    1   15   55 o   42.122   8.8568  285.875  110.256  254.227  196.850  300.341  133.091   40.735   13.543   42.979   10.283 -2.244354 17.00489 
1 1 1    1   15   56 o  202.712   4.1938  6301.35  259.484  6219.34  356.394  6393.88  378.537  200.947   5.8108  203.655   6.0897 -2.708603 8.417198 
1 1 1    1   15   57 o   24.912   6.6265   99.345   51.263   39.633  283.516  101.363   52.122   35.421   15.046   25.158   6.6768 10.26298 16.46069 
1 1 1    1   16    3 o  608.712   36.764 57995.80  6798.48 57995.80  6798.48   0.0000   0.0000  608.712   36.764  ?   ?  0.000000 36.76427 
1 1 1    1   16    4 o  909.771   55.704 133181.80 15393.68 133181.80 15393.68   0.0000   0.0000  909.771   55.704  ?   ?  0.000000 55.70446 
1 1 1    1   16    5 o  631.648   38.161 62566.00  7322.58 62566.00  7322.58   0.0000   0.0000  631.648   38.161  ?   ?  0.000000 38.16069 
1 1 1    1   16    8 o  522.243   31.687 42478.98  5027.09   0.0000   0.0000 42478.98  5027.09  ?   ?   522.243   31.687 0.000000 31.68733 
1 1 1    1   16    9 o   61.645   16.597  602.324  319.217   0.0000   0.0000  602.324  319.217  ?   ?    61.645   16.597 0.000000 16.59713 
1 1 1    1   16   10 o  570.053   34.502 50796.49  5974.89   0.0000   0.0000 50796.49  5974.89  ?   ?   570.053   34.502 0.000000 34.50228 
1 1 1    1   16   11 o  1019.28   42.853 163742.80 13331.95 158354.00 18853.45 169132.59 18855.00  982.659   63.195  1018.09   60.957 -35.43475 87.80273 
1 1 1    1   16   12 o  362.226   10.202 20061.86  1127.98 20061.86  1127.98   0.0000   0.0000  362.226   10.202  ?   ?  0.000000 10.20245 
1 1 1    1   16   13 o  552.794   23.273 47110.20  3926.77 45983.70  5553.15 48236.81  5553.44  542.170   33.724  555.667   32.890 -13.49634 47.10740 
1 1 1    1   16   14 o  642.603   38.993 65101.96  7611.86 65101.96  7611.86   0.0000   0.0000  642.603   38.993  ?   ?  0.000000 38.99329 
1 1 1    1   16   15 o  303.647   8.0980 14089.76  750.523 13891.78  824.097 15052.39  1817.16  301.461   8.9563  312.320   19.155 -10.85849 21.14532 
1 1 1    1   16   16 o   76.503   3.9570  895.893   92.083  951.084  102.100  655.317  213.166   78.813   4.2602   64.516   11.233 14.29753 12.01407 
1 1 1    1   16   17 o  261.837   12.139 10497.78  970.141 11284.21  1372.91  9713.45  1371.07  270.560   16.707  250.729   18.036 19.83041 24.58505 
1 1 1    1   16   18 o  524.371   11.427 42096.93  1828.95 44657.06  3598.38 41205.17  2123.74  537.791   21.922  518.475   13.420 19.31598 25.70340 
1 1 1    1   16   19 o  538.516   12.052 44428.99  1980.96 48667.77  5143.19 43690.63  2146.57  557.130   30.360  533.822   13.174 23.30750 33.09518 
1 1 1    1   16   20 o  287.881   7.0537 12666.19  619.794 12680.59  736.939 12631.39  1145.70  287.957   8.3847  286.975   13.080 0.9826355 15.53675 
1 1 1    1   16   21 o   68.375   4.5127  717.071   93.650  701.741   99.355  839.172  280.397   67.611   4.8467   72.859   13.090 -5.247772 13.95844 
1 1 1    1   16   22 f  439.191   8.6325 29516.47  1157.20 29516.47  1157.20   0.0000   0.0000  439.191   8.6325  ?   ?  0.000000 8.632502 
1 1 1    1   16   23 o  141.266   4.7584  3048.27  205.171  2992.95  217.149  3508.60  626.389  139.969   5.0829  150.438   13.795 -10.46863 14.70201 
1 1 1    1   16   24 o  133.037   3.1532  2702.23  128.037  2734.10  182.107  2671.08  180.054  133.790   4.4595  132.239   4.4609 1.551163 6.307686 
1 1 1    1   16   25 o  217.848   3.4199  7246.64  227.398  7473.16  322.213  7021.86  320.969  221.168   4.7731  214.379   4.9053 6.788559 6.844303 
1 1 1    1   16   26 o  309.480   4.2809 14630.49  404.371 14669.67  572.620 14591.52  571.115  309.748   6.0568  308.922   6.0570 0.8262024 8.565735 
1 1 1    1   16   27 o  146.324   9.0972  3294.69  404.283  4033.85  646.175  2819.23  518.245  161.286   13.243  134.737   12.754 26.54979 18.38559 
1 1 1    1   16   28 o  456.452   8.9857 31942.35  1251.89 32142.62  1862.48 31777.30  1690.82  456.619   13.364  454.400   12.191 2.218964 18.08883 
1 1 1    1   16   29 o  194.186   3.8907  5759.87  230.604  6165.29  315.115  5292.40  338.372  200.836   5.1406  186.026   5.9594 14.80995 7.870182 
1 1 1    1   16   30 o  124.904   3.2155  2382.44  122.588  2511.12  176.217  2261.76  170.647  128.194   4.5037  121.659   4.5955 6.534607 6.434433 
1 1 1    1   16   31 o  211.615   4.3095  6842.35  278.351  7286.73  430.777  6523.83  364.714  218.214   6.4677  206.531   5.7856 11.68301 8.677848 
1 1 1    1   16   32 o  221.958   3.7596  7525.64  254.703  7607.02  331.286  7407.99  398.317  223.083   4.8654  220.059   5.9302 3.023331 7.670719 
1 1 1    1   16   33 o   94.706   2.6429  1369.48   76.396  1476.89  250.269  1358.44   80.225   97.765   8.4707   94.321   2.7867 3.444313 8.917282 
1 1 1    1   16   34 o  222.393   4.2419  7557.92  287.935  7137.87  408.083  7974.35  406.325  215.964   6.1908  228.304   5.8310 -12.34004 8.504526 
1 1 1    1   16   35 o  175.340   2.6198  4694.37  140.208  4746.65  216.931  4656.86  183.743  176.252   4.0325  174.605   3.4477 1.646164 5.305451 
1 1 1    1   16   36 o  211.361   3.2299  6823.21  208.367  6539.60  287.348  7137.71  302.595  206.840   4.5515  216.089   4.5879 -9.249069 6.462589 
1 1 1    1   16   37 f  211.047   4.5234  6808.40  291.380  7024.95  397.427  6556.70  428.468  214.238   6.0778  206.901   6.7848 7.337234 9.108959 
1 1 1    1   16   38 o   69.586   4.7036  743.647   99.313  802.000  282.807  735.439  106.068   70.831   13.575   69.165   5.0595 1.666542 14.48758 
1 1 1    1   16   39 o  168.814   4.8090  4357.22  247.790  4357.07  287.494  4357.66  488.654  168.756   5.5815  168.095   9.5638 0.6612396 11.07334 
1 1 1    1   16   40 o   81.816   2.4854  1022.08   62.066  1135.36   90.972  923.434   84.893   86.211   3.4572   77.747   3.5774 8.463997 4.974982 
1 1 1    1   16   41 o  376.473   6.5514 21707.44  752.806 19932.65  2548.36 21877.13  787.973  352.445   23.829  377.882   6.8318 -25.43753 24.78935 
1 1 1    1   16   42 o   97.558   9.8878  1479.40  290.360  1404.50  355.831  1628.68  502.314   94.475   12.658  100.793   16.928 -6.317276 21.13722 
1 1 1    1   16   43 o  252.964   5.2903  9790.47  408.465  9640.84  427.527 11357.09  1383.34  250.988   5.5808  268.836   16.945 -17.84851 17.84078 
1 1 1    1   16   44 o  310.213   6.1848 14739.72  585.598 14598.07  614.175 16156.52  1942.38  308.657   6.5193  318.751   20.067 -10.09451 21.09965 
1 1 1    1   16   45 o  167.410   3.8242  4283.43  195.404  4337.47  212.399  3985.74  498.548  168.442   4.1313  160.443   10.234 7.998672 11.03628 
1 1 1    1   16   46 o  237.162   5.9603  8616.81  431.451  8574.54  462.771  8897.76  1193.06  236.509   6.4106  237.431   16.567 -0.9221497 17.76393 
1 1 1    1   16   47 o  153.051   2.6894  3577.86  125.636  3661.43  181.979  3501.75  173.665  154.759   3.8526  151.353   3.7593 3.405869 5.382778 
1 1 1    1   16   48 o   95.783   3.2710  1402.02   95.630  1545.96  145.331  1292.10  126.997  100.506   4.7375   91.895   4.5278 8.610718 6.553241 
1 1 1    1   16   49 o  102.888   4.4104  1619.89  138.503  1527.01  298.595  1645.35  156.339   98.855   10.035  103.658   4.9414 -4.802780 11.18585 
1 1 1    1   16   50 o  151.813   3.8098  3525.06  176.533  3767.71  253.924  3298.08  245.595  156.788   5.3061  146.670   5.4861 10.11835 7.632266 
1 1 1    1   16   51 f  186.128   3.9556  5301.11  224.718  5333.93  335.458  5274.39  302.664  186.400   5.8962  185.454   5.3470 0.9461365 7.959622 
1 1 1    1   16   52 o   86.287   7.4136  1156.45  193.355  1130.29  283.824  1179.10  264.128   84.335   11.311   86.475   10.204 -2.140320 15.23337 
1 1 1    1   16   53 o   94.395   3.8780  1364.31  111.732  1483.80  164.938  1262.99  151.892   98.123   5.5298   90.504   5.5250 7.618706 7.816927 
1 1 1    1   16   54 o  110.755   3.7931  1878.73  128.226  1908.56  182.386  1849.58  180.310  111.433   5.3624  109.694   5.3854 1.738762 7.599885 
1 1 1    1   16   55 o   33.909   8.4828  185.906   87.577   0.0000   0.0000  185.906   87.577  ?   ?    33.909   8.4828 0.000000 8.482836 
1 1 1    1   16   56 o   33.054   12.846  119.214  185.915   0.0000   0.0000  119.214  185.915  ?   ?    33.054   12.846 0.000000 12.84640 
1 1 1    1   17    5 o  334.848   21.329 17324.60  2168.54   0.0000   0.0000 17324.60  2168.54  ?   ?   334.848   21.329 0.000000 21.32895 
1 1 1    1   17    6 o  187.946   14.259  5442.28  811.880  5442.28  811.880   0.0000   0.0000  187.946   14.259  ?   ?  0.000000 14.25906 
1 1 1    1   17    7 o  149.819   9.2084  3443.98  419.043  3217.47  576.779  3697.19  609.834  144.355   13.238  154.853   13.023 -10.49709 18.57033 
1 1 1    1   17    8 o  253.729   6.9118  9834.07  535.274  9837.52  586.890  9817.04  1305.32  253.749   7.5776  252.344   17.048 1.405579 18.65578 
1 1 1    1   17    9 o  275.987   12.714 11661.99  1070.98 11928.24  1509.18 11391.89  1520.07  278.117   17.873  271.674   18.441 6.443390 25.68097 
1 1 1    1   17   10 o  313.325   14.035 15043.24  1342.20 15243.51  1893.77 14841.09  1902.57  314.157   19.852  309.895   20.225 4.262146 28.34018 
1 1 1    1   17   11 o  227.202   6.4779  7885.01  449.227  7738.05  492.027  8621.19  1101.23  225.053   7.1629  236.596   15.332 -11.54375 16.92266 
1 1 1    1   17   12 o  292.862   13.243 13140.27  1183.76 13105.13  1673.82 13175.42  1674.35  291.280   18.930  292.073   18.883 -0.7927856 26.73753 
1 1 1    1   17   13 o  416.502   10.528 26542.46  1338.35 26709.38  3210.66 26507.36  1472.37  414.470   25.503  416.112   11.593 -1.642120 28.01455 
1 1 1    1   17   14 o  260.153   7.0494 10341.39  559.759 10372.55  613.088 10185.30  1372.22  260.513   7.7104  256.767   17.616 3.746918 19.22932 
1 1 1    1   17   15 o  497.807   13.651 38005.31  2074.10 38005.31  2074.10   0.0000   0.0000  497.807   13.651  ?   ?  0.000000 13.65061 
1 1 1    1   17   16 o  249.724   16.840  9636.92  1276.10  9636.92  1276.10   0.0000   0.0000  249.724   16.840  ?   ?  0.000000 16.84035 
1 1 1    1   17   17 o  375.780   16.400 21730.19  1881.02 23217.62  2659.70 20241.72  2660.63  386.349   22.654  360.116   24.349 26.23276 33.25764 
1 1 1    1   17   18 f  432.277   18.578 28850.90  2451.20 29566.33  3467.17 28136.00  3465.86  434.364   26.276  423.400   26.959 10.96436 37.64590 
1 1 1    1   17   19 o  450.073   11.072 31054.09  1521.04 31417.63  1673.67 29329.13  3645.71  452.497   12.118  431.421   27.835 21.07590 30.35817 
1 1 1    1   17   20 o  185.440   5.6093  5254.65  317.490  5226.28  347.278  5399.04  783.529  184.915   6.1530  186.870   13.836 -1.954712 15.14206 
1 1 1    1   17   21 o   86.234   3.0958  1135.33   81.484  1080.60  112.660  1195.38  117.997   83.996   4.4098   88.466   4.3700 -4.470612 6.208279 
1 1 1    1   17   22 o  365.653   6.3938 20443.95  713.588 20866.24  1009.70 20022.55  1008.63  369.067   8.9633  361.501   9.1413 7.565765 12.80249 
1 1 1    1   17   23 o  391.704   6.7294 23469.20  804.542 23344.92  1096.05 23614.40  1184.71  390.277   9.2011  392.393   9.8917 -2.115509 13.50950 
1 1 1    1   17   24 o  228.034   6.0398  7951.21  420.379  7896.38  455.554  8265.74  1091.01  227.205   6.5691  230.725   15.584 -3.519119 16.91171 
1 1 1    1   17   25 o  141.457   4.7272  3057.61  204.101  3056.18  221.289  3065.76  528.203  141.409   5.1270  140.591   12.437 0.8181000 13.45277 
1 1 1    1   17   26 o  194.167   5.4396  5763.54  322.375  6188.47  657.024  5628.80  369.971  200.407   10.781  191.826   6.3189 8.581085 12.49615 
1 1 1    1   17   27 o  313.229   6.3364 15009.70  605.785 15229.13  744.282 14579.05  1042.70  315.322   7.7333  307.927   11.094 7.394409 13.52346 
1 1 1    1   17   28 o  153.035   3.5510  3576.96  165.865  3643.74  240.126  3516.02  229.379  154.391   5.0956  151.668   4.9550 2.723145 7.107566 
1 1 1    1   17   29 o  195.467   4.9327  5840.25  294.287  5828.00  358.460  5865.55  515.425  195.185   6.0169  195.566   8.6349 -0.3805695 10.52447 
1 1 1    1   17   30 o  112.448   3.2837  1931.13  112.700  1871.93  154.470  1998.50  164.796  110.672   4.5729  114.347   4.7217 -3.674995 6.573118 
1 1 1    1   17   31 o  179.183   8.1641  4923.17  446.501  5160.26  754.703  4795.49  553.824  182.179   13.672  176.297   10.337 5.881287 17.14040 
1 1 1    1   17   32 o  268.556   4.8623 11025.90  398.558 10822.45  564.093 11228.71  563.199  265.824   6.9525  270.786   6.8142 -4.962433 9.735040 
1 1 1    1   17   33 o   86.120   3.0647  1132.67   80.557  1193.87  120.233  1082.82  108.516   88.267   4.4775   84.069   4.2427 4.197952 6.168358 
1 1 1    1   17   34 o  181.469   3.4262  5030.24  189.769  4925.43  235.952  5222.22  319.335  179.520   4.3062  184.753   5.6629 -5.232101 7.114194 
1 1 1    1   17   35 o  277.245   5.4654 11758.30  462.493 11883.47  627.253 11609.19  684.636  278.445   7.3805  275.082   8.1542 3.363129 10.99830 
1 1 1    1   17   36 o  208.174   4.4457  6624.19  282.480  6629.10  385.007  6618.47  415.734  208.109   6.0612  207.891   6.5518 0.2186584 8.925531 
1 1 1    1   17   37 o  101.070   2.4502  1559.70   75.585  1609.92  112.322  1518.14  102.183  102.656   3.5848   99.693   3.3581 2.962616 4.912010 
1 1 1    1   17   38 o  152.543   3.1219  3554.02  145.355  3353.48  230.878  3685.69  187.086  148.078   5.1083  155.306   3.9467 -7.228516 6.455335 
1 1 1    1   17   39 f  178.660   5.4189  4883.24  295.501  5357.35  760.095  4798.83  320.731  185.480   13.519  177.066   5.9346 8.413452 14.76453 
1 1 1    1   17   40 o  339.526   8.6448 17706.00  895.867 20136.00  2322.93 17281.43  970.982  355.652   21.500  335.210   9.4902 20.44141 23.50143 
1 1 1    1   17   41 o  198.462   4.1786  6020.31  253.116  6043.24  262.668  5722.20  947.238  198.828   4.3283  190.689   16.435 8.138809 16.99573 
1 1 1    1   17   42 o  117.415   2.7542  2105.45   98.704  2139.62  166.288  2086.87  122.647  118.289   4.6058  116.873   3.4382 1.415977 5.747530 
1 1 1    1   17   43 o  204.112   4.1774  6369.03  260.251  6830.63  689.288  6292.29  281.054  210.087   10.786  202.846   4.5395 7.240280 11.70212 
1 1 1    1   17   44 o   98.128   3.9066  1471.86  117.004  1496.36  133.461  1390.50  243.226   98.919   4.4204   94.721   8.5035 4.197952 9.583824 
1 1 1    1   17   45 o  176.729   5.0934  4780.46  274.748  4501.60  760.745  4822.29  294.635  169.039   14.897  177.464   5.4395 -8.424866 15.85901 
1 1 1    1   17   46 o  116.209   3.6848  2064.33  130.699  1667.62  190.122  2419.80  179.969  104.134   6.0072  125.753   4.6888 -21.61852 7.620447 
1 1 1    1   17   47 o   85.870   5.2442  1133.57  136.791  1133.57  136.791   0.0000   0.0000   85.870   5.2442  ?   ?  0.000000 5.244241 
1 1 1    1   17   48 o   69.557   5.7795  746.961  121.589  747.601  128.781  741.705  368.996   69.537   6.1304   67.006   17.757 2.531212 18.78538 
1 1 1    1   17   49 o   83.582   2.7664  1067.44   70.573  1237.78  103.953  921.804   96.118   89.957   3.7861   77.510   4.0772 12.44705 5.563970 
1 1 1    1   17   50 o   75.401   2.4701  868.583   56.847  904.263  104.821  853.716   67.662   76.707   4.4967   74.735   2.9662 1.972557 5.386925 
1 1 1    1   17   51 o   49.213   4.2012  373.600   62.502  464.881  123.943  342.472   72.379   54.354   7.6853   46.973   5.1318 7.380741 9.241180 
1 1 1    1   17   52 o  143.411   3.5826  3147.93  156.818  3923.54  229.408  2467.60  214.854  159.939   4.6993  126.713   5.5553 33.22635 7.276322 
1 1 1    1   17   53 o  114.064   3.4129  1991.52  118.820  2033.10  127.790  1726.12  322.846  115.226   3.6335  104.485   10.255 10.74021 10.88013 
1 1 1    1   17   54 o  120.106   4.7033  2215.51  172.420  2202.87  180.176  2352.93  594.057  119.725   4.9305  118.499   16.904 1.226173 17.60817 
1 1 1    1   17   55 o   64.060   8.0417  648.490  153.771   0.0000   0.0000  648.490  153.771  ?   ?    64.060   8.0417 0.000000 8.041724 
1 1 1    1   18    1 o  343.670   21.791 18285.71  2273.98 18285.71  2273.98   0.0000   0.0000  343.670   21.791  ?   ?  0.000000 21.79115 
1 1 1    1   18    2 o  609.933   37.162 58721.25  6885.26 58721.25  6885.26   0.0000   0.0000  609.933   37.162  ?   ?  0.000000 37.16182 
1 1 1    1   18    5 o  168.866   14.504  4404.82  740.330   0.0000   0.0000  4404.82  740.330  ?   ?   168.866   14.504 0.000000 14.50445 
1 1 1    1   18    6 o  248.751   16.860  9549.64  1272.51  9549.64  1272.51   0.0000   0.0000  248.751   16.860  ?   ?  0.000000 16.85974 
1 1 1    1   18    7 o  263.221   12.199 10612.17  980.098 10184.88  1378.99 11048.35  1393.26  256.758   17.704  267.567   17.150 -10.80835 24.64921 
1 1 1    1   18    8 o  236.767   11.262  8582.60  813.841  8200.84  1144.87  8972.56  1157.12  230.462   16.382  241.207   15.804 -10.74431 22.76316 
1 1 1    1   18    9 o  479.176   20.352 35421.12  2976.65 35027.75  4206.03 35815.83  4213.22  472.958   29.280  478.387   28.992 -5.428589 41.20488 
1 1 1    1   18   10 o  130.044   8.8149  2598.23  347.819  2528.60  475.921  2678.04  509.585  127.865   12.348  131.552   12.855 -3.686592 17.82528 
1 1 1    1   18   11 o   46.518   12.140  343.865  174.199  271.910  231.566  437.667  264.393   43.589   14.691   52.886   15.426 -9.296654 21.30245 
1 1 1    1   18   12 o  417.205   25.886 27206.72  3280.05   0.0000   0.0000 27206.72  3280.05  ?   ?   417.205   25.886 0.000000 25.88583 
1 1 1    1   18   13 o   25.822   6.6806  105.731   53.053  105.750   54.771  105.446  213.520   25.847   6.8372   34.821   13.699 -8.974110 15.31059 
1 1 1    1   18   14 o  430.690   18.528 28647.59  2435.64 28211.69  3444.51 29083.49  3444.51  423.909   26.759  430.618   26.334 -6.709412 37.54345 
1 1 1    1   18   15 o  375.685   16.357 21755.21  1875.65 20466.87  2651.89 23044.89  2653.26  361.522   24.172  384.261   22.723 -22.73840 33.17582 
1 1 1    1   18   16 o  105.973   8.3511  1729.24  267.928  1981.37  380.019  1480.03  377.806  113.122   11.151   97.297   13.051 15.82478 17.16624 
1 1 1    1   18   17 o  192.065   14.197  5708.57  826.379   0.0000   0.0000  5708.57  826.379  ?   ?   192.065   14.197 0.000000 14.19722 
1 1 1    1   18   18 f   25.589   6.5999  103.910   51.885  102.614   53.635  122.786  204.735   25.462   6.7806   35.036   13.519 -9.573896 15.12388 
1 1 1    1   18   19 o  238.369   4.7926  8681.07  348.688  9202.23  517.371  8247.32  471.987  245.271   6.9110  232.216   6.6592 13.05495 9.597197 
1 1 1    1   18   20 o   68.692   3.1164  720.469   65.339  743.141   95.565  700.567   89.536   69.598   4.5232   67.580   4.3640 2.018623 6.285234 
1 1 1    1   18   21 o   72.193   10.209  815.467  218.672  732.479  348.150  869.537  281.021   67.456   16.935   74.107   12.892 -6.650787 21.28361 
1 1 1    1   18   22 o  289.862   19.034 13137.34  1674.62   0.0000   0.0000 13137.34  1674.62  ?   ?   289.862   19.034 0.000000 19.03392 
1 1 1    1   18   23 o  369.328   23.524 21570.03  2637.98   0.0000   0.0000 21570.03  2637.98  ?   ?   369.328   23.524 0.000000 23.52383 
1 1 1    1   18   24 o  210.650   8.5574  6802.08  550.199  7155.05  958.633  6628.70  671.879  214.630   14.722  207.429   10.648 7.201553 18.16948 
1 1 1    1   18   25 o  191.904   3.9997  5625.90  234.278  5625.85  342.121  5625.94  321.481  191.793   5.8443  191.818   5.4909 -0.2577209E-01 8.019108 
1 1 1    1   18   26 o  191.236   4.4570  5588.46  260.152  5673.86  315.575  5407.33  459.598  192.635   5.3672  187.839   8.0164 4.796753 9.647226 
1 1 1    1   18   27 o  456.108   7.8417 31881.20  1091.67 33807.17  1608.65 30237.02  1486.31  468.652   11.246  443.303   10.985 25.34909 15.72056 
1 1 1    1   18   28 o  143.024   4.0195  3125.34  175.468  3361.31  214.552  2648.73  304.922  148.292   4.7402  131.252   7.6445 17.03989 8.994911 
1 1 1    1   18   29 o   98.978   3.1313  1496.14   94.599  1607.41  132.114  1379.05  135.516  102.562   4.2203   94.984   4.6744 7.578262 6.297672 
1 1 1    1   18   30 o  262.912   4.6124 10565.84  370.134 11011.47  524.336 10123.22  522.566  268.200   6.4052  257.123   6.6586 11.07669 9.239246 
1 1 1    1   18   31 o  145.823   3.0819  3247.57  137.171  3194.11  169.581  3348.75  233.294  144.588   3.8426  147.979   5.1652 -3.390503 6.437779 
1 1 1    1   18   32 o  352.394   8.0002 19047.63  860.495 18956.36  920.512 19679.85  2422.76  351.415   8.5821  351.348   22.714 0.6692505E-01 24.28084 
1 1 1    1   18   33 o  129.512   7.8199  2581.65  307.672  2378.90  388.452  2922.96  504.000  123.894   10.368  137.057   12.175 -13.16356 15.99095 
1 1 1    1   18   34 o  279.602   5.5600 11960.81  474.496 11759.46  643.401 12200.90  702.575  276.934   7.6118  281.984   8.1630 -5.050476 11.16131 
1 1 1    1   18   35 o  119.697   2.7871  2187.92  101.826  2251.45  130.803  2090.21  162.228  121.399   3.5301  116.932   4.5454 4.467262 5.755213 
1 1 1    1   18   36 o  312.420   4.4124 14919.84  420.758 14408.72  595.751 15428.53  594.334  306.755   6.3629  317.462   6.1337 -10.70764 8.837914 
1 1 1    1   18   37 o  163.336   3.1190  4074.83  155.495  3725.78  265.264  4257.55  191.927  156.044   5.5695  166.927   3.7670 -10.88280 6.723761 
1 1 1    1   18   38 o  170.410   4.6592  4440.12  242.341  4183.73  504.638  4516.97  276.285  164.546   10.097  171.834   5.2678 -7.287689 11.38828 
1 1 1    1   18   39 o  114.793   7.5973  2030.14  264.685  2021.62  421.364  2035.70  340.176  113.681   12.342  114.591   9.8209 -0.9098434 15.77262 
1 1 1    1   18   40 o  182.971   4.4970  5118.87  251.146  5126.98  297.329  5098.66  469.185  183.047   5.3218  182.177   8.4379 0.8700714 9.975929 
1 1 1    1   18   41 o  112.907   2.4683  1946.65   85.063  1989.58  120.833  1904.47  119.770  114.112   3.4693  111.643   3.5148 2.469009 4.938582 
1 1 1    1   18   42 f  348.593   5.8664 18611.29  624.179 17404.96  1051.31 19268.00  775.688  335.878   10.255  354.378   7.1714 -18.49988 12.51371 
1 1 1    1   18   43 o  176.067   3.9743  4739.19  213.580  4533.35  307.883  4930.12  296.532  172.025   5.8638  179.445   5.4141 -7.420410 7.980969 
1 1 1    1   18   44 o  319.571   4.8778 15629.57  475.786 15692.06  619.933 15540.00  742.170  319.897   6.3492  318.003   7.6464 1.894257 9.938762 
1 1 1    1   18   45 o  130.854   3.5035  2617.22  139.929  2755.47  373.355  2594.63  150.931  133.337   9.2307  130.270   3.7959 3.067520 9.980694 
1 1 1    1   18   46 o   63.442   3.9416  617.933   75.947  649.997  107.561  586.054  107.250   64.898   5.4813   61.559   5.7755 3.338909 7.962508 
1 1 1    1   18   47 o   67.187   4.2007  693.436   85.712  693.436   85.712   0.0000   0.0000   67.187   4.2007  ?   ?  0.000000 4.200713 
1 1 1    1   18   48 o   70.942   3.0427  769.264   65.884  946.478  128.204  705.667   76.802   78.378   5.3919   67.819   3.7245 10.55882 6.553246 
1 1 1    1   18   49 o   88.722   2.8096  1203.08   76.085  1369.59  125.893  1107.27   95.498   94.564   4.3617   85.071   3.6779 9.493423 5.705375 
1 1 1    1   18   50 o  134.207   4.0845  2758.47  167.313  2581.00  386.002  2799.53  185.661  128.352   9.9303  135.151   4.5007 -6.798798 10.90264 
1 1 1    1   18   51 o  154.243   10.059  3733.37  470.982  4418.03  805.659  3377.92  580.509  164.357   16.274  145.228   13.242 19.12921 20.98047 
1 1 1    1   18   52 o   92.600   4.4752  1315.67  126.485  1242.78  317.701  1329.40  137.885   87.767   12.189   92.909   4.8794 -5.142021 13.12897 
1 1 1    1   18   53 o   39.186   4.4103  238.634   51.832  242.203  205.236  238.391   53.569   40.112   13.825   39.140   4.5702 0.9721184 14.56074 
1 1 1    1   18   54 o  274.356   6.6036 11652.66  552.987  9252.16  1296.48 12186.50  611.392  233.087   18.372  280.229   7.1481 -47.14157 19.71390 
1 1 1    1   19    1 o  287.973   18.956 12850.65  1656.88 12850.65  1656.88   0.0000   0.0000  287.973   18.956  ?   ?  0.000000 18.95643 
1 1 1    1   19    3 o  355.190   22.493 19636.73  2425.97 19636.73  2425.97   0.0000   0.0000  355.190   22.493  ?   ?  0.000000 22.49345 
1 1 1    1   19    5 o  430.880   26.795 29107.87  3506.50   0.0000   0.0000 29107.87  3506.50  ?   ?   430.880   26.795 0.000000 26.79515 
1 1 1    1   19    6 o  492.872   30.454 38371.01  4558.93   0.0000   0.0000 38371.01  4558.93  ?   ?   492.872   30.454 0.000000 30.45407 
1 1 1    1   19    7 o  231.331   16.243  8281.67  1139.62   0.0000   0.0000  8281.67  1139.62  ?   ?   231.331   16.243 0.000000 16.24325 
1 1 1    1   19    8 o   58.783   10.747  546.030  185.708  541.433  244.472  552.303  285.549   58.204   13.944   58.865   15.631 -0.6612625 20.94666 
1 1 1    1   19    9 o  179.380   9.6766  4942.24  527.845  5020.82  737.724  4859.81  755.568  180.264   13.506  177.239   14.083 3.025543 19.51275 
1 1 1    1   19   10 o   97.883   4.3639  1463.30  130.378  1439.39  138.682  1645.18  382.519   97.075   4.6805  102.777   12.448 -5.701904 13.29856 
1 1 1    1   19   11 o  225.639   10.993  7808.70  757.073  7901.81  1065.19  7713.65  1076.23  225.903   15.543  223.109   15.908 2.793396 22.24101 
1 1 1    1   19   12 o  453.487   19.483 31900.74  2696.70 31074.02  3813.19 32727.91  3814.24  442.774   28.365  454.890   27.602 -12.11627 39.57828 
1 1 1    1   19   13 o   20.458   9.3731 -94.4900  132.168 -38.6966  186.041 -151.3427  187.799   27.200   11.872   23.899   11.031 3.300587 16.20556 
1 1 1    1   19   14 o  116.840   8.2884  2100.63  293.664  2229.94  415.914  1972.07  414.697  119.961   11.500  112.620   12.262 7.340721 16.81128 
1 1 1    1   19   15 o  253.908   7.0300  9863.15  544.814  9740.45  598.219 10459.74  1319.14  252.255   7.7697  259.463   16.746 -7.207870 18.46106 
1 1 1    1   19   16 o  246.014   5.2377  9249.78  393.295  8908.62  556.113  9591.15  556.294  241.248   7.5524  250.345   7.2803 -9.097412 10.49001 
1 1 1    1   19   17 o  225.408   6.4736  7771.69  445.382  7551.39  486.928  8899.95  1101.93  222.132   7.1819  239.536   15.150 -17.40422 16.76594 
1 1 1    1   19   18 o  189.603   14.298  5579.92  821.332   0.0000   0.0000  5579.92  821.332  ?   ?   189.603   14.298 0.000000 14.29757 
1 1 1    1   19   19 o   35.990   14.334  103.336  236.440   0.0000   0.0000  103.336  236.440  ?   ?    35.990   14.334 0.000000 14.33386 
1 1 1    1   19   20 o   43.065   16.287  208.856  293.332   0.0000   0.0000  208.856  293.332  ?   ?    43.065   16.287 0.000000 16.28705 
1 1 1    1   19   21 o  148.871   8.8975  3410.86  402.443   0.0000   0.0000  3410.86  402.443  ?   ?   148.871   8.8975 0.000000 8.897520 
1 1 1    1   19   22 o  195.643   7.1111  5860.33  424.634  6024.07  602.261  5698.48  598.801  197.795   10.008  192.322   10.238 5.473297 14.31713 
1 1 1    1   19   23 o  317.423   10.005 15478.76  969.378 15855.95  1373.53 15104.44  1368.30  320.242   14.052  312.475   14.347 7.766663 20.08202 
1 1 1    1   19   24 o  274.130   6.3476 11500.02  531.108 11762.32  1057.13 11411.46  614.259  276.138   12.543  272.942   7.3733 3.195953 14.54925 
1 1 1    1   19   25 o  263.327   7.0432 10619.40  566.088 10059.76  1374.02 10733.81  621.264  253.305   17.887  264.653   7.6910 -11.34776 19.47025 
1 1 1    1   19   26 o  362.457   6.8898 20118.81  762.215 19911.14  1037.36 20362.47  1123.67  360.036   9.4399  363.919   10.116 -3.883148 13.83651 
1 1 1    1   19   27 o  168.441   3.3232  4333.57  170.855  4254.65  242.654  4411.17  240.609  166.827   4.7654  169.876   4.6405 -3.048477 6.651583 
1 1 1    1   19   28 o  235.679   3.8580  8486.51  277.521  8634.83  445.630  8392.54  354.699  237.520   6.1469  234.283   4.9602 3.236908 7.898652 
1 1 1    1   19   29 o  263.721   4.1734 10628.60  335.933 10714.26  419.030 10474.51  562.008  264.682   5.1869  261.469   7.0421 3.212921 8.746158 
1 1 1    1   19   30 o  330.797   8.4404 16795.80  852.201 17023.35  936.662 15702.05  2053.56  332.847   9.2198  314.278   21.538 18.56897 23.42838 
1 1 1    1   19   31 o  253.045   6.9485  9810.67  536.672  9809.85  588.700  9814.69  1305.67  252.933   7.6256  250.030   17.214 2.902603 18.82729 
1 1 1    1   19   32 o  247.962   6.4683  9415.83  489.545  9356.39  530.208  9759.37  1274.65  247.100   7.0300  249.439   16.841 -2.339081 18.24911 
1 1 1    1   19   33 o  352.287   8.0361 19041.92  864.090 18619.16  1003.58 20253.56  1699.00  347.998   9.4484  360.737   15.431 -12.73840 18.09361 
1 1 1    1   19   34 o  232.282   5.3287  8253.77  377.795  8234.51  426.596  8323.81  813.440  231.933   6.0261  232.261   11.474 -0.3275757 12.96060 
1 1 1    1   19   35 o  324.656   10.465 16235.99  1037.02 16689.26  1469.42 15786.21  1463.74  327.685   14.692  318.552   15.055 9.132874 21.03533 
1 1 1    1   19   36 o  131.487   4.9347  2644.10  198.042  3145.85  426.228  2505.96  223.650  142.637   9.8506  127.959   5.7264 14.67851 11.39409 
1 1 1    1   19   37 o  183.082   5.8645  5131.27  327.715  4854.03  386.094  5845.80  619.826  177.938   7.1090  194.479   10.481 -16.54153 12.66415 
1 1 1    1   19   38 o  257.518   5.0759 10145.04  398.970  9333.85  590.234 10827.52  541.384  246.595   7.8419  265.805   6.6731 -19.21002 10.29686 
1 1 1    1   19   39 o   16.804   6.8872   14.189   56.372   7.3788   60.225   62.361  160.173   16.802   7.0234   29.230   11.744 -12.42781 13.68388 
1 1 1    1   19   40 o  136.449   2.5771  2843.35  107.330  2883.94  153.414  2804.44  150.212  137.372   3.6589  135.467   3.6329 1.905319 5.156121 
1 1 1    1   19   41 o   54.822   3.3635  460.963   56.009  520.972   81.388  406.976   77.195   58.176   4.6216   51.330   4.9904 6.846699 6.801643 
1 1 1    1   19   42 o   62.945   4.0563  608.328   77.516  612.646  221.368  607.724   82.756   61.794   12.170   62.886   4.3380 -1.092091 12.91987 
1 1 1    1   19   43 o  117.036   2.9309  2092.66  104.697  2104.56  185.761  2087.12  126.745  117.233   5.1914  116.852   3.5537 0.3817673 6.291221 
1 1 1    1   19   44 o   31.053   7.7865  154.153   73.665  163.390   75.676 -12.7084  321.642   31.958   7.8217   36.729   15.822 -4.770817 17.64939 
1 1 1    1   19   45 o  118.850   4.7325  2162.84  171.675  2201.94  398.358  2153.92  190.249  118.539   11.141  118.559   5.2574 -0.1980591E-01 12.31910 
1 1 1    1   19   46 o   75.050   3.5925  861.395   82.295  753.699  121.293  953.260  112.023   69.857   5.7394   78.756   4.6813 -8.898590 7.406426 
1 1 1    1   19   47 o  212.581   3.5994  6912.69  233.546  7645.80  401.194  6536.91  287.230  223.134   5.8908  206.577   4.5554 16.55638 7.446687 
1 1 1    1   19   48 o  199.542   11.107  6245.15  673.770  6915.76  1087.30  5827.12  858.456  206.049   17.453  190.707   14.865 15.34282 22.92551 
1 1 1    1   19   49 o  108.550   5.2536  1809.51  174.061  1976.77  201.966  1326.58  343.188  113.221   5.8644   90.795   12.734 22.42611 14.01946 
1 1 1    1   19   50 o   95.217   4.9443  1395.92  143.198  1512.90  161.440  964.224  310.119   99.062   5.3593   76.646   13.762 22.41587 14.76874 
1 1 1    1   19   51 o   42.380   5.0184  279.836   63.653   0.0000   0.0000  279.836   63.653  ?   ?    42.380   5.0184 0.000000 5.018371 
1 1 1    1   19   52 f  188.505   10.546  5628.34  604.346  5116.93  780.777  6392.65  954.511  176.789   14.600  196.340   16.069 -19.55185 21.71089 
1 1 1    1   19   53 o  100.252   21.827  1831.71  648.961   0.0000   0.0000  1831.71  648.961  ?   ?   100.252   21.827 0.000000 21.82741 
1 1 1    1   20    0 f  153.276   13.892  3685.92  637.631  3685.92  637.631  3685.92  637.631  153.276   13.892  153.276   13.892 -0.000000 0.000000 
1 1 1    1   20    2 o  301.711   19.729 14192.32  1806.86 14192.32  1806.86   0.0000   0.0000  301.711   19.729  ?   ?  0.000000 19.72935 
1 1 1    1   20    3 o  260.158   17.475 10517.24  1379.54 10517.24  1379.54   0.0000   0.0000  260.158   17.475  ?   ?  0.000000 17.47464 
1 1 1    1   20    4 o  455.305   19.615 32196.26  2725.91 32993.46  3854.39 31398.55  3855.66  456.166   27.816  444.510   28.570 11.65558 39.87434 
1 1 1    1   20    5 o  385.128   16.706 22931.44  1963.81 21085.20  2775.24 24783.04  2779.27  365.607   25.020  397.473   23.007 -31.86609 33.99035 
1 1 1    1   20    7 o  470.231   29.496 35296.97  4212.02   0.0000   0.0000 35296.97  4212.02  ?   ?   470.231   29.496 0.000000 29.49625 
1 1 1    1   20    8 o  458.052   28.735 33454.75  3997.08   0.0000   0.0000 33454.75  3997.08  ?   ?   458.052   28.735 0.000000 28.73532 
1 1 1    1   20    9 o  187.090   9.9485  5383.94  566.061  5535.71  792.504  5225.86  808.807  189.037   13.831  183.493   14.561 5.543884 20.08300 
1 1 1    1   20   10 o   82.291   9.0333  1050.24  223.159  1108.08  295.667  973.677  340.183   84.092   11.848   78.175   14.799 5.916824 18.95739 
1 1 1    1   20   11 o  144.286   5.0128  3181.46  220.761  3050.64  239.373  3925.90  571.037  141.267   5.5516  159.358   11.824 -18.09171 13.06282 
1 1 1    1   20   12 o   83.337   8.4008  1074.72  210.770  1041.08  296.115  1109.27  300.073   81.360   12.309   84.087   12.035 -2.726097 17.21488 
1 1 1    1   20   13 o  194.502   14.282  5870.88  841.922  5870.88  841.922   0.0000   0.0000  194.502   14.282  ?   ?  0.000000 14.28161 
1 1 1    1   20   14 o   49.143   14.118  381.343  222.963  381.343  222.963   0.0000   0.0000   49.143   14.118  ?   ?  0.000000 14.11798 
1 1 1    1   20   17 o  483.030   30.655 37835.59  4496.15   0.0000   0.0000 37835.59  4496.15  ?   ?   483.030   30.655 0.000000 30.65523 
1 1 1    1   20   18 o  117.386   4.8552  2106.10  173.956   0.0000   0.0000  2106.10  173.956  ?   ?   117.386   4.8552 0.000000 4.855186 
1 1 1    1   20   19 o  180.940   5.1831  5005.31  286.249  5097.11  757.836  4990.03  309.151  181.103   13.814  180.636   5.6072 0.4670105 14.90866 
1 1 1    1   20   20 o  103.548   4.3589  1638.46  137.763  1715.35  371.257  1626.19  148.355  104.878   11.803  103.148   4.7122 1.729507 12.70875 
1 1 1    1   20   21 o  291.792   7.3685 13043.24  656.252 13030.61  1713.89 13045.41  710.393  287.723   19.633  291.721   7.9784 -3.997192 21.19237 
1 1 1    1   20   22 o  336.629   8.0761 17375.23  829.797 18980.84  2163.89 17098.42  898.485  346.876   20.530  333.786   8.8191 13.08948 22.34372 
1 1 1    1   20   23 o   72.588   7.6430  816.427  166.790  827.572  292.673  811.066  202.976   71.963   13.827   72.058   9.4572 -0.9420776E-01 16.75189 
1 1 1    1   20   24 o  107.085   6.2581  1761.19  203.654  1815.81  297.538  1713.05  279.343  108.366   9.0794  105.281   8.7729 3.085167 12.62535 
1 1 1    1   20   25 o  247.506   8.2880  9399.07  626.116  9589.93  889.550  9211.68  881.429  249.348   11.688  244.352   11.818 4.995743 16.62181 
1 1 1    1   20   26 o  177.484   3.7415  4812.73  202.688  4609.31  282.015  5030.06  291.508  173.593   5.3226  181.348   5.2665 -7.754303 7.487713 
1 1 1    1   20   27 o  230.386   5.9188  8123.40  416.203  7865.24  1101.73  8166.38  449.513  224.083   16.218  230.942   6.3771 -6.858688 17.42658 
1 1 1    1   20   28 f  239.628   6.6629  8795.37  487.322  8799.30  1192.33  8794.58  533.957  236.897   16.595  239.529   7.3035 -2.632034 18.13087 
1 1 1    1   20   29 o  193.680   4.4441  5734.21  262.716  5901.91  372.161  5567.63  370.915  196.338   6.2103  190.680   6.3731 5.657562 8.898520 
1 1 1    1   20   30 o  274.340   4.7805 11508.00  400.292 11462.40  491.632 11597.68  689.481  273.660   5.8859  274.890   8.2176 -1.230469 10.10807 
1 1 1    1   20   31 o  205.014   3.4686  6420.91  217.047  6757.36  349.011  6208.72  277.164  210.160   5.4409  201.527   4.5059 8.632935 7.064484 
1 1 1    1   20   32 o   54.905   5.2095  465.246   86.257  121.903  518.927  475.002   87.474   49.944   20.724   55.481   5.2272 -5.536747 21.37348 
1 1 1    1   20   33 o  167.532   5.6718  4295.33  290.026  4054.57  340.405  4932.95  553.973  162.664   6.8563  178.697   10.199 -16.03279 12.28935 
1 1 1    1   20   34 o  179.108   4.2994  4903.79  235.040  4895.19  334.085  4912.22  330.733  178.800   6.1217  179.117   6.0495 -0.3178101 8.606536 
1 1 1    1   20   35 o   27.555   9.2049  109.999   90.903  142.703  102.786  -7.4212  194.761   30.724   9.7554   28.890   12.375 1.833923 15.75805 
1 1 1    1   20   36 o  211.132   5.1914  6820.40  334.543  6966.46  384.127  6361.69  680.759  213.300   5.9002  202.701   11.045 10.59886 12.52204 
1 1 1    1   20   37 o  155.176   3.7497  3679.97  177.600  3778.87  241.596  3563.69  261.967  157.159   5.0366  152.571   5.6255 4.587814 7.550674 
1 1 1    1   20   38 f   96.270   3.2896  1415.98   96.662  1501.64  250.534  1401.00  104.774   98.478   8.4159   95.749   3.5851 2.728973 9.147736 
1 1 1    1   20   39 o   72.617   2.3285  805.230   51.610  870.846   85.423  767.509   64.768   75.482   3.7077   70.881   2.9937 4.601067 4.765460 
1 1 1    1   20   40 o  116.608   3.8962  2078.84  138.672  2153.86  162.237  1875.41  267.168  118.659   4.4795  110.156   8.0008 8.503464 9.169473 
1 1 1    1   20   41 o  226.239   5.3596  7839.52  370.098  7850.41  450.183  7816.83  650.051  226.200   6.5205  225.053   9.4634 1.146698 11.49224 
1 1 1    1   20   42 o   86.395   4.2304  1141.86  111.554  915.100  250.087  1198.19  124.641   76.046   11.102   88.358   4.6379 -12.31168 12.03150 
1 1 1    1   20   43 o  100.679   3.5849  1549.83  110.161  1469.98  157.375  1626.54  154.255   97.802   5.2916  103.056   4.9040 -5.254524 7.214602 
1 1 1    1   20   44 o   92.273   2.9998  1301.26   84.487  1297.06  110.672  1307.13  130.800   92.076   3.9380   92.271   4.6594 -0.1948318 6.100644 
1 1 1    1   20   45 o   61.152   2.8606  571.530   53.394  562.575   80.432  578.585   71.394   60.455   4.3889   61.375   3.8302 -0.9202347 5.825179 
1 1 1    1   20   46 o   65.584   4.0382  660.990   80.444  744.383  142.415  621.914   97.485   69.198   6.8320   63.478   5.0740 5.720547 8.510088 
1 1 1    1   20   47 o   74.943   5.8004  868.498  131.647  925.336  151.482  693.087  266.115   77.248   6.4847   64.909   13.854 12.33891 15.29655 
1 1 1    1   20   48 o  134.463   5.2811  2778.15  216.743  2921.21  246.715  2294.31  453.715  137.772   5.8670  119.715   12.606 18.05651 13.90488 
1 1 1    1   20   49 o   70.193   3.0957  753.904   66.324  1313.16  172.648  657.082   71.836   92.079   6.1789   65.401   3.6127 26.67751 7.157494 
1 1 1    1   20   50 o   26.469   8.9231  102.926   85.430   0.0000   0.0000  102.926   85.430  ?   ?    26.469   8.9231 0.000000 8.923080 
1 1 1    1   20   51 o   54.787   8.5806  479.677  138.779   0.0000   0.0000  479.677  138.779  ?   ?    54.787   8.5806 0.000000 8.580649 
1 1 1    1   21    0 o  372.238   23.601 21684.75  2656.75 21684.75  2656.75 21684.75  2656.75  372.238   23.601  372.238   23.601 -0.000000 0.000000 
1 1 1    1   21    1 o  290.118   19.195 13170.00  1690.17 13170.00  1690.17   0.0000   0.0000  290.118   19.195  ?   ?  0.000000 19.19550 
1 1 1    1   21    3 o  315.899   20.484 15659.14  1964.38 15659.14  1964.38   0.0000   0.0000  315.899   20.484  ?   ?  0.000000 20.48363 
1 1 1    1   21    4 o  386.203   16.971 23143.96  2000.53 23566.38  2825.12 22719.11  2833.24  385.813   24.112  378.476   24.661 7.337372 34.48946 
1 1 1    1   21    5 f  275.154   18.490 11835.41  1543.84   0.0000   0.0000 11835.41  1543.84  ?   ?   275.154   18.490 0.000000 18.49013 
1 1 1    1   21    7 o  236.576   16.299  8716.15  1169.72  8716.15  1169.72   0.0000   0.0000  236.576   16.299  ?   ?  0.000000 16.29876 
1 1 1    1   21   13 o  171.657   13.361  4576.15  694.527   0.0000   0.0000  4576.15  694.527  ?   ?   171.657   13.361 0.000000 13.36119 
1 1 1    1   21   14 o   98.908   11.767  1527.47  348.250   0.0000   0.0000  1527.47  348.250  ?   ?    98.908   11.767 0.000000 11.76656 
1 1 1    1   21   15 o  164.643   5.2081  4144.57  261.724  4123.85  285.980  4251.40  649.381  164.200   5.7062  165.467   12.962 -1.266205 14.16203 
1 1 1    1   21   16 o  186.484   5.8115  5319.83  330.786  5114.59  362.064  6356.17  813.575  182.798   6.4893  202.426   13.241 -19.62769 14.74547 
1 1 1    1   21   17 f  235.557   11.304  8545.47  812.763  8539.17  1149.53  8551.76  1149.32  233.828   16.207  234.006   16.191 -0.1781921 22.90854 
1 1 1    1   21   18 o  204.177   10.344  6427.98  642.523  6446.19  908.580  6409.77  908.750  203.404   14.735  202.811   14.782 0.5924072 20.87150 
1 1 1    1   21   19 o  362.070   16.013 20390.97  1769.65 20740.19  2503.08 20041.99  2502.24  361.027   22.833  354.613   23.247 6.414124 32.58470 
1 1 1    1   21   20 o   57.531   8.3658  518.290  142.599  770.281  213.352  314.831  191.709   70.034   10.288   44.749   13.160 25.28570 16.70362 
1 1 1    1   21   21 o  229.539   5.8597  8062.50  410.538  8268.54  485.593  7546.19  768.686  232.340   6.8475  220.949   11.437 11.39061 13.33055 
1 1 1    1   21   22 o  291.726   7.2112 13041.92  642.099 12845.74  762.682 13519.42  1189.87  289.263   8.6384  295.585   13.189 -6.322266 15.76586 
1 1 1    1   21   23 o  104.189   4.4144  1659.29  140.381  1654.21  151.301  1690.71  376.343  104.016   4.7657  103.962   12.086 0.5392456E-01 12.99140 
1 1 1    1   21   24 o  207.591   5.5500  6593.44  351.658  6685.57  414.633  6357.33  663.747  208.938   6.5017  202.853   10.759 6.084396 12.57067 
1 1 1    1   21   25 o  147.517   5.0056  3328.01  225.380  3296.51  245.472  3497.14  568.810  146.787   5.4790  149.886   12.549 -3.099091 13.69281 
1 1 1    1   21   26 o  234.675   16.388  8634.57  1166.44   0.0000   0.0000  8634.57  1166.44  ?   ?   234.675   16.388 0.000000 16.38760 
1 1 1    1   21   27 o  139.770   3.7818  2984.99  161.333  2912.05  173.862  3437.06  432.837  138.035   4.1267  149.192   9.5554 -11.15710 10.40841 
1 1 1    1   21   28 o  254.836   7.1093  9953.81  552.971 10021.45  785.634  9887.40  778.454  255.143   10.088  253.436   10.063 1.706818 14.24950 
1 1 1    1   21   29 o   47.197   6.4916  347.528   91.040  316.255  244.533  352.561   98.091   45.962   15.086   47.465   6.9792 -1.502640 16.62205 
1 1 1    1   21   30 o  244.637   5.5911  9158.39  417.483  9296.77  481.878  8741.93  835.953  246.372   6.4081  237.958   11.510 8.413742 13.17334 
1 1 1    1   21   31 o  197.025   4.4475  5934.67  267.455  6168.03  380.479  5706.73  376.038  200.693   6.2113  193.024   6.3827 7.669174 8.906084 
1 1 1    1   21   32 o   93.276   5.0359  1334.72  142.842  1409.63  329.171  1317.34  158.547   94.843   11.614   92.604   5.6362 2.239288 12.90906 
1 1 1    1   21   33 o  180.076   3.7951  4955.50  208.591  5071.99  295.668  4840.06  294.321  182.060   5.3207  177.840   5.4222 4.220367 7.596736 
1 1 1    1   21   34 o  108.046   3.3339  1783.52  109.945  1606.44  164.513  1926.44  147.798  102.322   5.2856  112.251   4.3138 -9.928543 6.822541 
1 1 1    1   21   35 o  214.946   3.8996  7061.88  255.837  7063.60  412.575  7060.80  326.104  214.704   6.2957  214.825   4.9734 -0.1206360 8.023145 
1 1 1    1   21   36 o  110.494   3.0139  1865.03  101.644  1911.12  127.786  1785.65  167.712  111.821   3.7441  108.019   5.0868 3.801598 6.316146 
1 1 1    1   21   37 o   40.766   5.1254  258.356   62.364  258.955   65.134  251.755  216.162   40.779   5.3632   41.675   14.193 -0.8966637 15.17262 
1 1 1    1   21   38 o  226.879   3.8439  7869.43  266.184  7679.02  447.518  7973.67  331.128  223.740   6.5531  228.270   4.7526 -4.529480 8.095102 
1 1 1    1   21   39 o   49.901   4.2503  383.644   64.119  388.611  211.016  383.139   67.301   49.133   13.606   49.843   4.4714 -0.7101440 14.32154 
1 1 1    1   21   40 o  239.639   5.1919  8796.31  379.752  8936.18  538.130  8657.55  535.977  241.101   7.3126  237.292   7.4003 3.809357 10.40374 
1 1 1    1   21   41 o   60.404   5.4615  563.792   99.604  556.148  104.763  635.729  321.367   59.943   5.7985   62.195   16.614 -2.251614 17.59678 
1 1 1    1   21   42 o   72.807   4.3887  814.391   97.072  868.094  109.203  612.159  211.913   75.132   4.7870   61.705   11.680 13.42746 12.62244 
1 1 1    1   21   43 o   19.828   5.8300   61.317   37.629   25.244   96.889   67.724   40.834   21.974   9.0203   20.805   6.0607 1.169172 10.86726 
1 1 1    1   21   44 o   92.100   3.4100  1297.43   95.860  1113.42  163.903  1393.10  118.180   84.849   6.3755   95.391   4.0590 -10.54249 7.557932 
1 1 1    1   21   45 o  130.366   5.2192  2608.86  207.676  2616.89  229.335  2572.30  489.552  130.483   5.7583  127.035   12.800 3.448929 14.03585 
1 1 1    1   21   46 o  202.172   5.4796  6282.89  338.132  6388.41  369.285  5735.46  841.124  203.735   5.9385  188.506   14.736 15.22836 15.88778 
1 1 1    1   21   47 o   28.232   5.4217  126.654   45.021  200.741  122.699  115.128   48.396   35.467   10.553   26.811   6.0568 8.656040 12.16776 
1 1 1    1   21   48 o  184.962   4.1666  5247.93  235.225  5231.19  341.609  5263.03  324.375  184.135   6.0782  184.799   5.7508 -0.6646423 8.367608 
1 1 1    1   21   49 o   90.406   6.8489  1273.30  187.586   0.0000   0.0000  1273.30  187.586  ?   ?    90.406   6.8489 0.000000 6.848938 
1 1 1    1   21   50 o   24.399   10.487  -1.5501  140.680   0.0000   0.0000  -1.5501  140.680  ?   ?    24.399   10.487 0.000000 10.48651 
1 1 1    1   22    0 o  249.392   17.259  9705.66  1299.30  9705.66  1299.30  9705.66  1299.30  249.392   17.259  249.392   17.259 0.000000 0.000000 
1 1 1    1   22    2 o  293.259   19.340 13506.68  1721.35 13506.68  1721.35   0.0000   0.0000  293.259   19.340  ?   ?  0.000000 19.33950 
1 1 1    1   22    3 o  255.517   17.350 10208.96  1345.11 10208.96  1345.11   0.0000   0.0000  255.517   17.350  ?   ?  0.000000 17.35010 
1 1 1    1   22    4 o  297.824   19.554 13940.51  1767.68 13940.51  1767.68   0.0000   0.0000  297.824   19.554  ?   ?  0.000000 19.55449 
1 1 1    1   22    7 o  153.918   13.275  3685.59  617.532   0.0000   0.0000  3685.59  617.532  ?   ?   153.918   13.275 0.000000 13.27457 
1 1 1    1   22    8 o  214.586   15.393  7178.38  1001.47   0.0000   0.0000  7178.38  1001.47  ?   ?   214.586   15.393 0.000000 15.39260 
1 1 1    1   22    9 o  165.356   13.477  4253.27  674.263   0.0000   0.0000  4253.27  674.263  ?   ?   165.356   13.477 0.000000 13.47675 
1 1 1    1   22   10 o  485.663   31.116 38614.44  4588.16   0.0000   0.0000 38614.44  4588.16  ?   ?   485.663   31.116 0.000000 31.11552 
1 1 1    1   22   11 o  135.843   12.389  2870.35  508.010   0.0000   0.0000  2870.35  508.010  ?   ?   135.843   12.389 0.000000 12.38854 
1 1 1    1   22   12 o   26.334   6.5335  110.363   52.263   0.0000   0.0000  110.363   52.263  ?   ?    26.334   6.5335 0.000000 6.533538 
1 1 1    1   22   13 o   59.716   9.6943  561.826  170.635  591.868  241.181  531.716  241.448   60.713   13.376   57.481   13.912 3.231567 19.29919 
1 1 1    1   22   14 o  220.888   10.797  7512.28  727.907  7084.18  1028.79  7941.42  1030.05  212.836   15.953  225.705   15.038 -12.86887 21.92332 
1 1 1    1   22   15 o  307.952   8.2484 14549.10  775.300 14404.55  852.348 15241.92  1866.06  306.240   9.1188  310.781   19.775 -4.541931 21.77628 
1 1 1    1   22   16 o   95.837   4.3082  1403.75  126.021  1386.46  135.494  1514.62  343.059   95.233   4.6614   98.434   11.644 -3.200638 12.54247 
1 1 1    1   22   17 o  335.853   8.8932 17323.44  911.642 17096.60  1002.29 18410.03  2193.66  333.409   9.8492  340.645   21.204 -7.235687 23.37941 
1 1 1    1   22   18 o  120.541   4.4616  2221.08  164.151  2253.16  177.808  2035.99  427.097  121.393   4.7989  114.131   12.463 7.262405 13.35502 
1 1 1    1   22   19 o  142.646   4.8226  3111.30  209.970  3120.86  228.558  3059.55  531.542  142.840   5.2424  140.138   12.560 2.701843 13.61035 
1 1 1    1   22   20 o   63.041   9.8746  625.804  183.765  710.379  262.377  544.371  257.457   66.582   13.375   58.091   14.551 8.490852 19.76451 
1 1 1    1   22   21 o  304.266   13.814 14357.04  1282.90 14761.32  1815.33 13953.67  1813.27  305.520   19.570  296.705   20.142 8.815369 28.08331 
1 1 1    1   22   22 o  153.506   9.0641  3633.83  422.801  3607.34  600.187  3659.92  595.700  152.103   13.055  153.264   12.853 -1.161224 18.31984 
1 1 1    1   22   23 f  188.979   9.9666  5511.89  572.844  5653.09  812.407  5372.27  807.861  190.344   14.084  185.443   14.385 4.901138 20.13169 
1 1 1    1   22   24 o  257.346   12.150 10236.75  954.323 10195.02  1351.11 10278.29  1348.13  254.545   17.497  255.637   17.381 -1.092056 24.66242 
1 1 1    1   22   25 o   94.242   9.2479  1378.35  262.587  1211.90  359.405  1568.95  384.581   87.344   13.951   99.876   12.918 -12.53223 19.01338 
1 1 1    1   22   26 o  130.557   4.9465  2606.89  197.112  2494.93  210.623  3396.53  559.368  127.696   5.4039  147.661   12.530 -19.96402 13.64520 
1 1 1    1   22   27 o  178.989   4.1929  4896.88  229.067  4880.93  240.096  5058.66  764.567  178.683   4.4023  179.979   14.029 -1.295486 14.70334 
1 1 1    1   22   28 o  128.343   7.5898  2535.59  295.997  2166.14  433.731  2857.65  404.954  117.733   12.249  135.902   9.8288 -18.16906 15.70509 
1 1 1    1   22   29 o  212.575   5.2700  6913.93  341.935  6605.60  713.368  7005.90  389.609  206.518   11.361  213.907   5.9674 -7.388977 12.83275 
1 1 1    1   22   30 o  140.344   5.1537  3013.47  220.764  2923.47  252.063  3309.83  457.427  138.172   5.9768  146.179   10.319 -8.006226 11.92457 
1 1 1    1   22   31 o   44.670   7.4026  314.186   97.395  276.301  115.654  406.567  180.600   41.562   9.3440   50.274   11.946 -8.711891 15.16619 
1 1 1    1   22   32 o  130.732   4.5146  2613.65  180.141  3022.23  427.960  2525.67  198.592  139.647   10.109  128.478   5.0642 11.16905 11.30643 
1 1 1    1   22   33 o  256.846   5.6406 10101.75  442.198 10166.37  528.138  9950.25  808.731  257.485   6.7201  253.881   10.437 3.604187 12.41297 
1 1 1    1   22   34 o   15.221   6.1381   15.366   43.931   5.2890   62.771   25.041   61.503   16.982   7.1389   18.266   7.2990 -1.283520 10.20978 
1 1 1    1   22   35 o  109.225   2.9153  1822.47   97.191  1838.85  158.188  1812.54  123.184  109.626   4.7276  108.894   3.7063 0.7324982 6.007222 
1 1 1    1   22   36 o  188.007   4.1813  5405.98  239.938  5179.23  839.568  5426.15  250.380  181.016   15.340  188.340   4.3555 -7.324753 15.94640 
1 1 1    1   22   37 o   72.890   3.1937  811.904   71.052  766.634  100.854  856.515  100.116   70.618   4.7060   74.691   4.4111 -4.072914 6.450158 
1 1 1    1   22   38 o   32.529   7.4226  169.171   72.069  167.751   75.517  183.668  241.271   32.377   7.7457   39.295   14.792 -6.918758 16.69706 
1 1 1    1   22   39 o   45.910   5.6326  327.989   77.273  336.059   80.272  225.996  285.362   46.455   5.7867   42.919   16.100 3.536671 17.10846 
1 1 1    1   22   40 o  101.790   4.1226  1585.62  128.082  1539.69  336.742  1593.39  138.491   98.798   11.375  102.016   4.4477 -3.218079 12.21320 
1 1 1    1   22   41 o  196.147   3.3639  5883.29  201.390  6248.70  327.805  5661.76  255.238  201.842   5.3209  192.289   4.3488 9.553391 6.872015 
1 1 1    1   22   42 o   18.355   7.1468   32.011   57.623   16.424  211.629   33.259   59.886   30.694   13.016   18.708   7.2853 11.98664 14.91657 
1 1 1    1   22   43 o   63.251   9.8490  637.097  183.952  622.392  257.901  652.325  262.452   61.419   14.061   62.909   14.026 -1.490108 19.86046 
1 1 1    1   22   44 o  134.024   7.9395  2792.12  323.336  2955.58  428.258  2575.42  493.100  137.063   10.312  126.808   12.921 10.25530 16.53144 
1 1 1    1   22   45 o  145.176   4.6648  3235.17  206.703  3880.45  475.296  3084.66  229.547  157.097   9.9640  141.638   5.3098 15.45920 11.29044 
1 1 1    1   22   46 o   57.452   9.5071  529.693  160.883  668.399  240.942  418.093  216.121   63.631   12.849   50.127   13.724 13.50359 18.79974 
1 1 1    1   22   47 o   79.139   24.648  1177.55  659.265   0.0000   0.0000  1177.55  659.265  ?   ?    79.139   24.648 0.000000 24.64809 
1 1 1    1   22   48 o   65.859   24.385  752.384  650.394   0.0000   0.0000  752.384  650.394  ?   ?    65.859   24.385 0.000000 24.38457 
1 1 1    1   23    4 o  200.854   15.342  6302.83  933.438   0.0000   0.0000  6302.83  933.438  ?   ?   200.854   15.342 0.000000 15.34215 
1 1 1    1   23    5 o  148.829   9.1240  3414.71  412.465  2837.08  557.901  4111.03  612.550  134.690   13.764  162.698   12.429 -28.00798 18.54555 
1 1 1    1   23    6 o  128.367   9.1278  2543.61  355.302  2246.41  473.019  2928.40  538.217  119.829   13.149  137.024   13.026 -17.19473 18.50849 
1 1 1    1   23    7 o  127.385   8.9294  2503.94  344.986  2580.37  469.659  2414.38  508.408  128.744   12.094  124.160   13.641 4.584389 18.22967 
1 1 1    1   23    8 o  147.107   8.7770  3334.38  392.294  3345.50  552.894  3323.10  556.700  146.647   12.471  146.122   12.605 0.5242920 17.73184 
1 1 1    1   23    9 o  242.656   11.571  9082.53  856.982  9477.74  1210.83  8685.86  1213.08  246.127   16.209  235.286   17.006 10.84161 23.49330 
1 1 1    1   23   10 o  154.281   8.9661  3668.29  420.392  3872.05  592.120  3461.19  596.957  157.840   12.390  148.975   13.267 8.864182 18.15319 
1 1 1    1   23   11 o  262.773   7.8297 10590.64  627.981   0.0000   0.0000 10590.64  627.981  ?   ?   262.773   7.8297 0.000000 7.829748 
1 1 1    1   23   12 o  187.585   14.113  5487.70  802.106   0.0000   0.0000  5487.70  802.106  ?   ?   187.585   14.113 0.000000 14.11276 
1 1 1    1   23   13 o  330.806   21.536 17411.88  2162.62   0.0000   0.0000 17411.88  2162.62  ?   ?   330.806   21.536 0.000000 21.53591 
1 1 1    1   23   14 o  372.880   16.487 21706.18  1876.45 21440.80  2653.69 21971.56  2653.70  365.426   23.924  370.174   23.610 -4.748596 33.61263 
1 1 1    1   23   15 o  236.286   11.365  8614.28  819.657  8840.35  1159.69  8388.63  1158.65  237.565   16.088  231.226   16.526 6.338776 23.06393 
1 1 1    1   23   16 o  373.478   16.451 21782.58  1875.31 19923.86  2650.86 23644.73  2653.31  351.348   24.880  384.601   22.703 -33.25296 33.68168 
1 1 1    1   23   17 o  171.340   9.4416  4528.31  491.858  4308.62  694.449  4749.44  696.742  166.109   13.823  174.629   13.169 -8.520248 19.09141 
1 1 1    1   23   18 o  492.493   21.525 38514.50  3235.63 38127.89  4575.73 38901.16  4576.01  478.752   31.489  484.035   31.139 -5.282898 44.28552 
1 1 1    1   23   19 o  160.276   13.195  4005.94  639.767  4005.94  639.767   0.0000   0.0000  160.276   13.195  ?   ?  0.000000 13.19509 
1 1 1    1   23   20 o  169.842   9.2779  4448.69  479.144  4597.69  686.202  4306.91  669.336  171.773   13.189  166.189   13.307 5.583984 18.73567 
1 1 1    1   23   21 o  200.899   6.0133  6179.23  368.728  6852.69  907.738  6046.14  403.518  209.558   14.277  198.653   6.6550 10.90518 15.75184 
1 1 1    1   23   22 o   56.118   4.8078  485.116   81.555   0.0000   0.0000  485.116   81.555  ?   ?    56.118   4.8078 0.000000 4.807773 
1 1 1    1   23   23 o  312.104   6.3547 14919.72  605.353 15464.27  856.423 14375.99  855.773  317.211   8.8455  305.767   9.1696 11.44504 12.74068 
1 1 1    1   23   24 o  356.189   9.3005 19514.15  1011.13 19335.36  1110.43 20381.79  2446.20  354.251   10.270  356.657   22.588 -2.405853 24.81277 
1 1 1    1   23   25 o  230.146   16.739  8332.53  1167.77   0.0000   0.0000  8332.53  1167.77  ?   ?   230.146   16.739 0.000000 16.73871 
1 1 1    1   23   27 o  189.321   14.555  5612.58  834.593   0.0000   0.0000  5612.58  834.593  ?   ?   189.321   14.555 0.000000 14.55453 
1 1 1    1   23   28 o   78.535   8.3709  958.346  197.565  991.638  295.589  931.464  265.607   79.037   12.682   76.763   11.707 2.274101 17.25904 
1 1 1    1   23   29 o  280.832   4.6602 12062.80  399.453 12132.20  521.050 11963.86  622.116  281.421   6.0660  279.226   7.2996 2.194885 9.491095 
1 1 1    1   23   30 o  168.244   3.6770  4326.05  188.822  4306.88  210.914  4403.44  423.790  167.840   4.1171  169.258   8.2032 -1.417877 9.178433 
1 1 1    1   23   31 o   33.275   4.5538  172.501   45.036  208.128   62.530  134.102   64.917   36.412   5.8226   28.999   7.3305 7.413218 9.361567 
1 1 1    1   23   32 o   95.423   2.8866  1390.97   84.073  1430.20  141.076  1369.36  104.694   96.678   4.7809   94.653   3.6239 2.025162 5.999110 
1 1 1    1   23   33 o   29.378   6.8159  137.755   59.935  211.146  288.491  134.445   61.272   42.605   16.143   29.018   6.9989 13.58711 17.59468 
1 1 1    1   23   34 o  106.338   3.3300  1728.17  108.080  1733.78  159.228  1723.37  147.179  106.422   4.9020  106.125   4.5437 0.2968292 6.683917 
1 1 1    1   23   35 o  143.311   5.0057  3145.09  218.960  3143.59  236.827  3153.93  574.616  143.235   5.4171  141.417   13.476 1.818146 14.52361 
1 1 1    1   23   36 o   78.786   3.3000  948.810   79.357  940.606   95.468  967.154  142.752   78.314   4.0074   79.183   5.9501 -0.8692780 7.173720 
1 1 1    1   23   37 o  105.186   3.6786  1692.08  118.101  1647.82  175.719  1728.55  159.498  103.510   5.5825  106.225   4.9194 -2.714752 7.440745 
1 1 1    1   23   38 o  186.135   3.2701  5296.94  185.780  5126.13  232.987  5595.15  307.852  183.006   4.1711  191.026   5.2800 -8.020538 6.728761 
1 1 1    1   23   39 f  145.965   2.9878  3256.83  133.112  3291.63  170.822  3203.02  212.395  146.667   3.8159  144.566   4.8135 2.101578 6.142538 
1 1 1    1   23   40 o   43.947   12.310  312.505  171.711  316.243  240.335  308.606  245.416   45.299   14.960   45.039   15.124 0.2602234 21.27302 
1 1 1    1   23   41 o  110.931   8.0461  1914.40  270.576  1882.51  363.263  1954.15  405.521  109.084   11.063  110.748   12.199 -1.664246 16.46861 
1 1 1    1   23   42 o  169.338   8.3557  4451.16  431.872  4718.19  556.547  4047.00  684.695  173.171   10.580  158.361   14.320 14.81073 17.80498 
1 1 1    1   23   43 o  134.168   3.6222  2756.93  148.335  3564.55  435.529  2650.95  157.768  150.714   9.5166  131.523   3.9301 19.19107 10.29620 
1 1 1    1   23   44 o  116.324   4.4408  2077.18  157.670  2064.10  367.527  2080.12  174.549  113.921   10.695  116.330   4.9160 -2.408997 11.77077 
1 1 1    1   23   45 o  120.389   6.2500  2245.83  228.869   0.0000   0.0000  2245.83  228.869  ?   ?   120.389   6.2500 0.000000 6.249984 
1 1 1    1   23   46 o   89.236   6.9713  1243.23  188.369   0.0000   0.0000  1243.23  188.369  ?   ?    89.236   6.9713 0.000000 6.971337 
1 1 1    1   24    0 o  149.353   13.992  3515.42  624.968  3515.42  624.968  3515.42  624.968  149.353   13.992  149.353   13.992 0.000000 0.000000 
1 1 1    1   24    1 o  124.318   13.764  2424.54  513.498   0.0000   0.0000  2424.54  513.498  ?   ?   124.318   13.764 0.000000 13.76374 
1 1 1    1   24    2 o  183.523   14.156  5257.56  786.815  5257.56  786.815   0.0000   0.0000  183.523   14.156  ?   ?  0.000000 14.15579 
1 1 1    1   24    3 o   77.504   12.489  951.480  285.397  951.480  285.397   0.0000   0.0000   77.504   12.489  ?   ?  0.000000 12.48886 
1 1 1    1   24    4 o  147.843   12.611  3404.80  563.652  3404.80  563.652   0.0000   0.0000  147.843   12.611  ?   ?  0.000000 12.61148 
1 1 1    1   24    5 o  362.460   23.454 21074.63  2580.85 21074.63  2580.85   0.0000   0.0000  362.460   23.454  ?   ?  0.000000 23.45421 
1 1 1    1   24    6 f  159.887   8.0569  3933.02  391.921  1813.03  505.737  7120.27  620.105  106.716   16.021  215.172   9.4420 -108.4563 18.59669 
1 1 1    1   24    7 o  271.812   12.606 11430.93  1045.87 12016.17  1479.32 10846.06  1478.86  276.378   17.628  262.075   18.609 14.30359 25.63285 
1 1 1    1   24    8 o  206.210   10.421  6567.11  653.788  6462.66  922.742  6672.41  926.462  203.286   14.977  206.637   14.787 -3.351547 21.04682 
1 1 1    1   24    9 o  205.169   10.405  6501.17  649.474  6631.56  916.809  6369.80  920.188  206.030   14.675  201.781   15.049 4.248184 21.01989 
1 1 1    1   24   10 o  240.270   11.481  8912.54  841.982  8632.58  1188.48  9194.65  1193.01  234.414   16.721  242.153   16.235 -7.739151 23.30579 
1 1 1    1   24   11 o  348.044   15.509 18879.63  1647.54 18664.61  2328.82 19095.07  2331.12  341.539   22.465  345.645   22.214 -4.106232 31.59329 
1 1 1    1   24   12 o  120.186   8.4635  2229.24  308.488  2075.85  434.455  2385.22  438.104  115.169   12.563  123.726   11.742 -8.556206 17.19589 
1 1 1    1   24   13 o  235.974   16.401  8740.87  1173.95   0.0000   0.0000  8740.87  1173.95  ?   ?   235.974   16.401 0.000000 16.40110 
1 1 1    1   24   14 o  277.176   18.559 12135.48  1561.07   0.0000   0.0000 12135.48  1561.07  ?   ?   277.176   18.559 0.000000 18.55947 
1 1 1    1   24   15 o  291.936   19.383 13498.68  1717.32   0.0000   0.0000 13498.68  1717.32  ?   ?   291.936   19.383 0.000000 19.38312 
1 1 1    1   24   16 o  106.562   8.4618  1754.92  272.956  1519.80  384.782  1993.08  387.267   98.195   13.170  113.072   11.376 -14.87672 17.40291 
1 1 1    1   24   17 o  329.773   8.5771 16707.11  863.322 16562.01  2079.20 16737.33  948.995  322.285   21.256  329.844   9.4262 -7.559113 23.25251 
1 1 1    1   24   18 o  252.027   6.9458  9736.05  534.300  9926.00  1297.49  9697.26  586.321  251.210   17.022  251.409   7.6408 -0.1992950 18.65861 
1 1 1    1   24   19 o  271.025   5.6686 11243.02  468.923 11293.24  663.237 11192.82  663.079  271.233   8.0114  270.018   8.0456 1.215332 11.35402 
1 1 1    1   24   20 o  260.009   7.7791 10375.05  617.357 10375.05  617.357   0.0000   0.0000  260.009   7.7791  ?   ?  0.000000 7.779136 
1 1 1    1   24   24 o  321.224   21.198 16513.87  2066.68   0.0000   0.0000 16513.87  2066.68  ?   ?   321.224   21.198 0.000000 21.19808 
1 1 1    1   24   25 o  416.612   18.396 27406.74  2339.29 28034.03  3309.87 26780.68  3306.63  413.459   26.365  403.390   27.012 10.06937 37.74629 
1 1 1    1   24   26 o   99.824   9.1732  1546.83  276.367  1659.39  396.658  1440.64  385.276  102.601   12.955   95.324   13.630 7.277847 18.80450 
1 1 1    1   24   27 o  183.753   5.3284  5168.95  298.846  5011.76  348.852  5602.39  579.284  180.824   6.3208  190.305   10.008 -9.481155 11.83701 
1 1 1    1   24   28 o  246.634   5.2845  9312.55  397.806  9333.75  562.920  9291.41  562.244  246.524   7.4812  245.962   7.4893 0.5614014 10.58572 
1 1 1    1   24   29 f  245.839   4.3661  9244.18  327.614  8967.79  562.195  9386.30  403.139  241.579   7.6245  247.585   5.3348 -6.005020 9.305491 
1 1 1    1   24   30 o   68.516   4.6406  721.609   96.475  693.661  324.977  724.310  101.030   65.106   16.371   68.622   4.8549 -3.515678 17.07526 
1 1 1    1   24   31 o  119.549   4.5798  2187.08  167.113  2431.31  484.762  2154.14  178.026  124.237   12.975  118.621   4.9171 5.616302 13.87568 
1 1 1    1   24   32 o  179.112   4.9352  4912.28  269.804  4868.33  309.184  5052.62  552.454  178.212   5.6841  180.435   10.071 -2.223389 11.56478 
1 1 1    1   24   33 o  115.643   4.3851  2046.62  154.782  2060.11  170.671  1984.11  367.352  115.990   4.8209  112.576   10.824 3.413757 11.84946 
1 1 1    1   24   34 o   93.640   2.9998  1340.02   85.737  1404.28  111.201  1245.82  134.631   95.818   3.8023   90.050   4.9169 5.767876 6.215518 
1 1 1    1   24   35 o  127.230   3.6962  2475.96  143.535  2291.48  201.312  2666.72  204.709  122.243   5.3955  131.907   5.0845 -9.664879 7.413749 
1 1 1    1   24   36 o  210.864   3.5770  6801.10  230.217  6910.34  290.869  6617.91  376.666  212.412   4.4864  207.589   5.9447 4.822754 7.447691 
1 1 1    1   24   37 o  131.462   3.6853  2644.40  147.874  2631.43  161.751  2710.40  364.894  131.105   4.0422  131.914   9.1187 -0.8087311 9.974470 
1 1 1    1   24   38 o  111.004   5.0662  1890.62  171.649  2063.80  194.667  1285.49  363.889  115.921   5.5019   89.084   13.832 26.83728 14.88563 
1 1 1    1   24   39 o  160.090   9.5127  4006.17  462.729  4263.28  664.953  3764.77  644.329  163.268   13.464  153.115   13.940 10.15269 19.38006 
1 1 1    1   24   40 o   30.239   12.791   23.003  203.537 -30.0674  229.740  216.654  438.857   30.191   13.185   47.713   19.344 -17.52204 23.41028 
1 1 1    1   24   41 o   55.273   13.553  508.530  226.889  455.113  262.983  664.056  448.731   52.299   15.422   62.519   20.432 -10.21926 25.59901 
1 1 1    1   24   42 o   27.622   10.972   68.892  138.189  123.422  206.919   24.991  185.661   34.369   13.497   28.977   12.235 5.392086 18.21698 
1 1 1    1   24   43 o  110.740   6.3072  1902.25  212.306   0.0000   0.0000  1902.25  212.306  ?   ?   110.740   6.3072 0.000000 6.307249 
1 1 1    1   24   44 o   67.716   8.1400  725.943  164.870   0.0000   0.0000  725.943  164.870  ?   ?    67.716   8.1400 0.000000 8.140011 
1 1 1    1   25    0 o  385.079   24.684 23405.27  2873.90 23405.27  2873.90 23405.27  2873.90  385.079   24.684  385.079   24.684 0.000000 0.000000 
1 1 1    1   25    1 o  408.064   18.248 26184.43  2272.75 28794.61  3210.01 23560.76  3218.30  421.851   25.043  378.749   28.038 43.10211 37.59378 
1 1 1    1   25    2 o  321.771   12.065 16010.85  1184.94 16467.45  2039.49 15778.18  1455.87  321.544   20.894  318.293   14.986 3.250610 25.71261 
1 1 1    1   25    3 o  214.014   8.3570  7034.48  545.896  3185.93  718.371 12294.06  839.800  141.712   16.944  282.606   9.7359 -140.8936 19.54217 
1 1 1    1   25    4 o  114.527   12.047  2049.68  414.815  2049.68  414.815   0.0000   0.0000  114.527   12.047  ?   ?  0.000000 12.04729 
1 1 1    1   25    5 o  249.974   17.122  9833.86  1298.47  9833.86  1298.47   0.0000   0.0000  249.974   17.122  ?   ?  0.000000 17.12160 
1 1 1    1   25    6 o  270.998   18.237 11596.16  1499.73 11596.16  1499.73   0.0000   0.0000  270.998   18.237  ?   ?  0.000000 18.23740 
1 1 1    1   25    7 o  240.996   16.668  9128.98  1218.56  9128.98  1218.56   0.0000   0.0000  240.996   16.668  ?   ?  0.000000 16.66847 
1 1 1    1   25    8 o  315.632   14.269 15487.96  1374.61 15350.12  1942.52 15626.22  1945.47  310.545   20.611  313.436   20.448 -2.891327 29.03306 
1 1 1    1   25    9 o  284.499   13.110 12547.42  1138.43 12593.03  1608.29 12501.62  1611.68  282.157   18.782  281.066   18.897 1.090271 26.64299 
1 1 1    1   25   10 o  336.331   15.048 17623.68  1544.74 17073.70  2182.63 18175.64  2186.55  326.612   22.023  337.504   21.336 -10.89154 30.66292 
1 1 1    1   25   11 o  221.971   10.926  7602.37  740.236  7611.67  1045.19  7593.00  1048.52  220.333   15.643  220.035   15.716 0.2983856 22.17431 
1 1 1    1   25   12 o  186.060   9.8693  5345.47  558.472  5220.35  788.731  5471.26  790.870  182.712   14.256  187.172   13.944 -4.459549 19.94127 
1 1 1    1   25   13 o   78.523   9.0197  960.274  212.250  891.186  299.741  1029.76  300.595   74.657   13.657   80.623   12.630 -5.965637 18.60228 
1 1 1    1   25   15 o  129.650   12.399  2625.24  484.673   0.0000   0.0000  2625.24  484.673  ?   ?   129.650   12.399 0.000000 12.39900 
1 1 1    1   25   20 o  204.696   6.5351  6422.44  408.299   0.0000   0.0000  6422.44  408.299  ?   ?   204.696   6.5351 0.000000 6.535089 
1 1 1    1   25   21 o   89.084   13.069  1257.37  344.788   0.0000   0.0000  1257.37  344.788  ?   ?    89.084   13.069 0.000000 13.06910 
1 1 1    1   25   22 o   85.031   9.2829  1126.48  237.009  1162.17  338.422  1092.13  332.033   85.475   13.413   82.753   13.620 2.722084 19.11578 
1 1 1    1   25   23 o  345.460   15.530 18698.64  1637.47 18989.41  2316.84 18408.43  2314.63  342.876   22.259  337.272   22.616 5.603577 31.73181 
1 1 1    1   25   24 o  104.643   4.4404  1674.89  141.825  1698.34  152.240  1520.90  390.144  105.357   4.7342   97.981   13.397 7.376289 14.20855 
1 1 1    1   25   25 o   83.979   4.3649  1081.61  111.498  1104.18  118.624  910.513  326.611   84.831   4.5987   75.053   14.783 9.777122 15.48220 
1 1 1    1   25   26 o  183.133   4.3050  5129.88  240.635  5117.45  340.624  5142.25  339.996  182.701   6.1082  183.147   6.0821 -0.4457397 8.619932 
1 1 1    1   25   27 o   71.941   4.5650  795.122   99.719  851.218  320.539  789.112  104.926   72.395   14.999   71.640   4.8267 0.7549820 15.75680 
1 1 1    1   25   28 o  168.021   5.2448  4324.21  268.975  3950.45  684.232  4392.53  292.525  158.138   14.332  169.291   5.6612 -11.15297 15.40918 
1 1 1    1   25   29 o  151.887   8.3073  3565.06  383.659  3449.26  494.751  3739.72  607.634  148.701   10.978  154.203   13.032 -5.501785 17.04007 
1 1 1    1   25   30 o   66.016   4.6014  670.394   92.137  669.157   98.233  679.437  265.695   65.918   4.9178   64.641   13.881 1.276886 14.72648 
1 1 1    1   25   31 o  200.991   4.4596  6184.30  273.585  6513.77  384.690  5847.13  389.165  205.994   6.1184  195.088   6.5356 10.90550 8.952609 
1 1 1    1   25   32 o   41.039   5.6881  263.262   69.333  175.469  266.075  269.657   71.814   39.969   15.414   41.520   5.8273 -1.550934 16.47910 
1 1 1    1   25   33 o  198.182   4.2098  6012.88  254.651  6678.65  379.776  5469.02  343.249  208.535   5.9667  188.709   5.9594 19.82596 8.432963 
1 1 1    1   25   34 o   73.656   3.0639  829.445   68.882  926.070   93.974  717.253  101.262   77.680   3.9769   68.226   4.8952 9.453804 6.307065 
1 1 1    1   25   35 o   85.836   6.5144  1140.62  169.397  1232.55  195.851  867.583  337.513   89.097   7.2651   72.301   15.741 16.79672 17.33651 
1 1 1    1   25   36 o  126.794   14.729  2602.15  559.394  2602.15  559.394   0.0000   0.0000  126.794   14.729  ?   ?  0.000000 14.72882 
1 1 1    1   25   37 o   77.296   5.8203  924.496  136.309   0.0000   0.0000  924.496  136.309  ?   ?    77.296   5.8203 0.000000 5.820338 
1 1 1    1   25   38 o   45.269   13.971  331.320  212.354  275.265  765.634  335.991  221.025   58.544   24.788   45.650   14.280 12.89399 28.60771 
1 1 1    1   25   39 o   72.053   11.460  840.682  243.589  1062.14  764.529  815.661  256.982   76.180   26.659   70.631   12.371 5.549149 29.38920 
1 1 1    1   25   40 o  118.423   16.268  2352.46  572.464  2387.09  833.516  2321.53  787.607  112.914   24.858  112.242   23.732 0.6715546 34.36769 
1 1 1    1   25   41 o   48.934   21.681   3.1419  642.320   0.0000   0.0000   3.1419  642.320  ?   ?    48.934   21.681 0.000000 21.68088 
1 1 1    1   26    0 o  603.972   38.163 59353.34  6970.84 59353.34  6970.84 59353.34  6970.84  603.972   38.163  603.972   38.163 0.000000 0.000000 
1 1 1    1   26    1 o  509.188   22.269 41448.28  3460.98 45653.79  4897.67 37253.44  4891.46  522.995   30.818  467.224   34.545 55.77075 46.29350 
1 1 1    1   26    2 o  494.128   17.141 38311.75  2585.27 43283.98  4483.94 35835.80  3164.13  511.955   28.812  473.829   21.878 38.12601 36.17769 
1 1 1    1   26    3 o  419.074   27.252 28805.23  3466.92 28805.23  3466.92   0.0000   0.0000  419.074   27.252  ?   ?  0.000000 27.25227 
1 1 1    1   26    4 o  247.534   17.075  9654.42  1282.19  9654.42  1282.19   0.0000   0.0000  247.534   17.075  ?   ?  0.000000 17.07516 
1 1 1    1   26    5 o  370.997   14.894 21454.51  1686.59 15952.85  2369.05 27108.80  2401.69  313.207   24.989  414.324   18.992 -101.1165 31.38711 
1 1 1    1   26    6 o  187.634   14.266  5508.21  810.873  5508.21  810.873   0.0000   0.0000  187.634   14.266  ?   ?  0.000000 14.26555 
1 1 1    1   26    7 o  141.781   12.665  3139.07  542.323  3139.07  542.323   0.0000   0.0000  141.781   12.665  ?   ?  0.000000 12.66538 
1 1 1    1   26    8 o  264.411   17.928 11050.02  1438.33 11050.02  1438.33   0.0000   0.0000  264.411   17.928  ?   ?  0.000000 17.92813 
1 1 1    1   26    9 o  152.397   9.0703  3585.40  419.999  3608.28  590.203  3561.93  597.806  152.021   12.840  150.964   13.104 1.057007 18.34600 
1 1 1    1   26   10 o  185.914   14.135  5408.36  796.060  5408.36  796.060   0.0000   0.0000  185.914   14.135  ?   ?  0.000000 14.13457 
1 1 1    1   26   11 o   77.137   13.197  948.461  299.541  948.461  299.541   0.0000   0.0000   77.137   13.197  ?   ?  0.000000 13.19692 
1 1 1    1   26   12 o  125.267   12.333  2453.89  465.440  2453.89  465.440   0.0000   0.0000  125.267   12.333  ?   ?  0.000000 12.33326 
1 1 1    1   26   16 o  233.849   16.442  8626.11  1166.13   0.0000   0.0000  8626.11  1166.13  ?   ?   233.849   16.442 0.000000 16.44240 
1 1 1    1   26   17 o  318.182   9.1973 15593.63  893.207   0.0000   0.0000 15593.63  893.207  ?   ?   318.182   9.1973 0.000000 9.197264 
1 1 1    1   26   18 o  342.037   9.7966 18045.98  1022.75   0.0000   0.0000 18045.98  1022.75  ?   ?   342.037   9.7966 0.000000 9.796649 
1 1 1    1   26   19 o  195.799   6.3501  5877.79  379.497   0.0000   0.0000  5877.79  379.497  ?   ?   195.799   6.3501 0.000000 6.350120 
1 1 1    1   26   20 o  199.959   10.391  6195.69  631.995  6210.99  893.873  6180.39  893.677  198.658   14.849  198.151   14.885 0.5070801 21.02543 
1 1 1    1   26   21 o   79.867   9.5078  997.583  227.222  1028.93  322.670  966.744  320.026   80.158   13.679   77.551   14.037 2.606812 19.59998 
1 1 1    1   26   22 o  285.080   13.236 12675.67  1151.70 12981.57  1629.85 12370.60  1627.64  284.827   18.854  277.696   19.324 7.131348 26.99790 
1 1 1    1   26   23 o   81.122   4.4004  1009.77  108.547  1021.07  115.381  922.735  320.163   81.550   4.6548   75.575   14.406 5.975090 15.13888 
1 1 1    1   26   24 f   73.292   4.4429  824.966   98.920  833.330  104.796  756.600  299.610   73.638   4.6870   68.161   14.824 5.477150 15.54689 
1 1 1    1   26   25 o   18.860   6.9925   42.159   53.518   51.207  240.344   41.687   54.896   33.951   14.098   18.954   7.0711 14.99726 15.77151 
1 1 1    1   26   26 o  102.361   4.4587  1603.69  139.301  1593.32  391.815  1605.19  149.038  100.127   13.138  102.387   4.7691 -2.260437 13.97670 
1 1 1    1   26   27 o   47.444   5.1703  348.969   73.658  385.154  269.444  346.046   76.575   49.592   15.800   47.207   5.4123 2.384621 16.70108 
1 1 1    1   26   28 o  104.488   4.4931  1671.65  143.296  1678.85  153.865  1624.57  393.423  104.688   4.8153  101.015   13.066 3.672218 13.92543 
1 1 1    1   26   29 o  147.103   4.9961  3316.58  224.320  3322.27  243.676  3284.98  574.312  147.173   5.4246  144.019   13.212 3.153961 14.28259 
1 1 1    1   26   30 o  211.411   4.3453  6844.44  280.389  7342.89  415.823  6428.84  379.695  218.576   6.2329  204.555   6.0815 14.02164 8.708215 
1 1 1    1   26   31 o   66.919   4.0243  688.035   81.815  870.310  173.283  635.745   92.811   74.701   7.7109   64.226   4.7685 10.47516 9.066247 
1 1 1    1   26   32 o  180.086   5.8997  4985.50  324.286  5170.75  359.717  4181.64  749.320  183.277   6.4304  160.925   15.445 22.35147 16.73035 
1 1 1    1   26   33 o  128.509   6.9958  2555.58  273.370  2555.58  273.370   0.0000   0.0000  128.509   6.9958  ?   ?  0.000000 6.995809 
1 1 1    1   26   35 o  108.944   5.9749  1833.99  197.920  2689.62  904.829  1790.99  202.832  121.309   25.258  107.604   6.2020 13.70444 26.00874 
1 1 1    1   26   36 f   44.047   11.562  318.665  157.402  192.210  814.419  323.572  160.427   57.870   25.052   44.371   11.684 13.49903 27.64241 
1 1 1    1   26   37 o   51.150   13.830  437.748  221.094  458.995  332.988  420.996  295.675   52.882   17.616   50.709   16.586 2.172447 24.19543 
1 1 1    1   26   38 o   64.949   25.549  665.799  742.573   0.0000   0.0000  665.799  742.573  ?   ?    64.949   25.549 0.000000 25.54870 
1 1 1    1   27    1 o  434.016   15.343 29468.15  2032.54 25687.24  3512.11 31372.14  2492.31  391.587   29.604  445.497   18.329 -53.91019 34.81844 
1 1 1    1   27    2 o  482.942   21.373 37328.18  3150.43 36110.83  4453.41 38547.70  4457.36  461.410   31.816  478.432   30.686 -17.02261 44.20292 
1 1 1    1   27    3 o  458.887   20.245 33544.75  2835.58 39673.83  4011.65 27425.04  4008.58  490.686   26.888  400.205   33.114 90.48090 42.65556 
1 1 1    1   27    4 o  418.793   27.714 29065.08  3522.47 29065.08  3522.47   0.0000   0.0000  418.793   27.714  ?   ?  0.000000 27.71365 
1 1 1    1   27    5 o   77.627   13.756  964.623  314.000  964.623  314.000   0.0000   0.0000   77.627   13.756  ?   ?  0.000000 13.75622 
1 1 1    1   27    6 o  160.072   13.278  4010.84  642.875  4010.84  642.875   0.0000   0.0000  160.072   13.278  ?   ?  0.000000 13.27798 
1 1 1    1   27    7 o  358.488   23.536 20872.09  2560.92 20872.09  2560.92   0.0000   0.0000  358.488   23.536  ?   ?  0.000000 23.53554 
1 1 1    1   27   11 o  116.600   12.607  2135.69  441.534   0.0000   0.0000  2135.69  441.534  ?   ?   116.600   12.607 0.000000 12.60719 
1 1 1    1   27   12 o  181.439   14.114  5168.84  775.481   0.0000   0.0000  5168.84  775.481  ?   ?   181.439   14.114 0.000000 14.11420 
1 1 1    1   27   13 o   54.341   11.446  474.312  183.843  520.045  259.594  428.297  260.395   56.615   14.842   51.833   15.363 4.782032 21.36069 
1 1 1    1   27   14 o  154.383   9.1487  3686.50  429.175  3847.89  606.786  3524.93  607.105  156.760   12.793  149.802   13.420 6.958221 18.54106 
1 1 1    1   27   15 o  136.892   4.8143  2868.01  201.154  2858.99  218.271  2918.91  518.189  136.641   5.2336  136.431   12.586 0.2108154 13.63064 
1 1 1    1   27   16 o   42.970   5.1737  286.781   66.491  291.645   69.180  227.824  240.845   43.313   5.3464   41.342   14.912 1.970951 15.84191 
1 1 1    1   27   17 o  117.213   3.4740  2099.98  124.286  2139.99  175.606  2059.82  175.929  118.236   4.8660  115.993   4.9692 2.243401 6.954955 
1 1 1    1   27   18 o  113.636   4.8764  1976.90  169.134   0.0000   0.0000  1976.90  169.134  ?   ?   113.636   4.8764 0.000000 4.876391 
1 1 1    1   27   19 o  341.893   22.842 19175.37  2369.96   0.0000   0.0000 19175.37  2369.96  ?   ?   341.893   22.842 0.000000 22.84230 
1 1 1    1   27   20 o  230.196   16.433  8432.12  1146.99   0.0000   0.0000  8432.12  1146.99  ?   ?   230.196   16.433 0.000000 16.43272 
1 1 1    1   27   21 o  140.061   8.9649  3040.84  381.237  3144.33  540.833  2938.63  537.485  141.365   12.669  136.498   13.060 4.867294 18.19543 
1 1 1    1   27   22 o   56.580   4.6631  493.457   79.811  497.299   83.785  455.813  262.274   56.774   4.8825   53.079   15.330 3.695179 16.08922 
1 1 1    1   27   23 f  144.993   5.0188  3221.14  222.110  3171.81  241.439  3492.73  566.531  143.822   5.5001  148.940   12.580 -5.118454 13.72970 
1 1 1    1   27   24 f  114.358   4.6015  2002.80  160.612  2158.67  434.171  1978.08  172.876  116.864   12.360  113.616   4.9852 3.248184 13.32711 
1 1 1    1   27   25 o   81.610   4.3505  1022.62  107.975  951.763  324.590  1031.43  114.496   76.464   14.437   81.933   4.5970 -5.468666 15.15128 
1 1 1    1   27   26 o   46.886   5.1287  341.055   72.198  342.912   75.506  321.238  246.596   46.979   5.3619   45.787   15.155 1.192039 16.07575 
1 1 1    1   27   27 o  118.264   4.5797  2143.14  165.312  2156.00  178.540  2065.88  437.639  118.580   4.9329  113.908   12.810 4.671783 13.72681 
1 1 1    1   27   28 o   73.798   4.6017  837.951  103.136  812.409  109.462  1039.98  307.853   72.610   4.9690   80.247   13.015 -7.637054 13.93101 
1 1 1    1   27   30 o   85.784   9.1949  1157.65  237.001  1157.65  237.001   0.0000   0.0000   85.784   9.1949  ?   ?  0.000000 9.194925 
1 1 1    1   27   31 o  278.938   22.907 13511.10  1933.05 13511.10  1933.05   0.0000   0.0000  278.938   22.907  ?   ?  0.000000 22.90717 
1 1 1    1   27   32 o   87.040   28.250  1446.16  858.423  1446.16  858.423   0.0000   0.0000   87.040   28.250  ?   ?  0.000000 28.25048 
1 1 1    1   27   33 o  121.686   5.4719  2279.80  203.234  2237.16  868.412  2282.27  209.040  108.577   26.449  121.721   5.6266 -13.14377 27.04058 
1 1 1    1   27   34 o  116.158   12.813  2188.46  446.719  2137.78  895.471  2205.25  515.438  104.305   27.672  115.398   14.988 -11.09225 31.46991 
1 1 1    1   27   35 o  127.262   6.5712  2514.48  254.376  2520.59  931.083  2513.99  264.437  113.215   27.269  127.160   6.8384 -13.94482 28.11318 
1 1 1    1   27   36 o   61.349   25.361  502.732  772.855   0.0000   0.0000  502.732  772.855  ?   ?    61.349   25.361 0.000000 25.36074 
1 1 1    1   27   37 o   54.143   24.087   89.869  800.707   89.869  800.707   0.0000   0.0000   54.143   24.087  ?   ?  0.000000 24.08722 
1 1 1    1   28    1 o  314.111   14.735 15464.30  1412.66   0.0000   0.0000 15464.30  1412.66  ?   ?   314.111   14.735 0.000000 14.73458 
1 1 1    1   28    2 o  232.291   17.792  8603.33  1251.86   0.0000   0.0000  8603.33  1251.86  ?   ?   232.291   17.792 0.000000 17.79189 
1 1 1    1   28    3 o  386.350   25.959 24781.79  3043.37   0.0000   0.0000 24781.79  3043.37  ?   ?   386.350   25.959 0.000000 25.95887 
1 1 1    1   28    4 o  285.217   13.410 12695.57  1167.42   0.0000   0.0000 12695.57  1167.42  ?   ?   285.217   13.410 0.000000 13.41014 
1 1 1    1   28    5 o  337.724   22.620 18599.61  2318.25   0.0000   0.0000 18599.61  2318.25  ?   ?   337.724   22.620 0.000000 22.62035 
1 1 1    1   28    6 o  335.518   22.342 18338.46  2274.87   0.0000   0.0000 18338.46  2274.87  ?   ?   335.518   22.342 0.000000 22.34159 
1 1 1    1   28    7 o  139.148   12.993  3043.52  545.440   0.0000   0.0000  3043.52  545.440  ?   ?   139.148   12.993 0.000000 12.99297 
1 1 1    1   28    8 o  149.901   9.1171  3478.75  415.154  3555.03  583.266  3400.42  591.043  150.512   12.818  147.020   13.316 3.491348 18.48298 
1 1 1    1   28   10 o  118.670   12.337  2215.03  440.328  2215.03  440.328   0.0000   0.0000  118.670   12.337  ?   ?  0.000000 12.33710 
1 1 1    1   28   11 f  112.774   12.340  2003.12  417.825  2003.12  417.825   0.0000   0.0000  112.774   12.340  ?   ?  0.000000 12.34001 
1 1 1    1   28   12 o   74.173   13.669  886.599  298.056  886.599  298.056   0.0000   0.0000   74.173   13.669  ?   ?  0.000000 13.66914 
1 1 1    1   28   13 o  141.968   8.9051  3122.24  383.921  3253.46  542.932  2991.00  542.959  143.923   12.483  137.765   13.069 6.158203 18.07273 
1 1 1    1   28   14 o  116.337   8.5994  2098.65  303.189  1971.20  428.443  2226.48  429.105  111.655   12.803  118.992   11.978 -7.336479 17.53243 
1 1 1    1   28   15 o   99.818   4.3990  1524.93  134.022  1521.33  143.905  1548.44  368.004   99.678   4.7300   98.867   12.473 0.8106461 13.33937 
1 1 1    1   28   16 o   86.890   4.3130  1155.48  114.385  1156.71  122.064  1146.56  327.674   86.796   4.6242   84.661   13.104 2.135445 13.89600 
1 1 1    1   28   17 o  153.900   5.0334  3629.02  236.439  3553.17  596.922  3643.14  257.500  150.024   13.169  154.143   5.4732 -4.118958 14.26117 
1 1 1    1   28   18 o  133.907   4.7173  2746.38  192.804  2624.39  497.265  2767.96  209.166  128.844   12.815  134.391   5.0992 -5.547424 13.79197 
1 1 1    1   28   19 o  222.426   11.062  7705.71  751.011  7797.14  1062.14  7614.30  1062.04  220.910   15.858  218.167   16.062 2.742767 22.57133 
1 1 1    1   28   20 o  132.208   12.668  2765.01  504.916   0.0000   0.0000  2765.01  504.916  ?   ?   132.208   12.668 0.000000 12.66764 
1 1 1    1   28   21 o   32.384   13.312   60.611  211.416   0.0000   0.0000   60.611  211.416  ?   ?    32.384   13.312 0.000000 13.31250 
1 1 1    1   28   22 o  131.374   12.623  2736.28  499.945   0.0000   0.0000  2736.28  499.945  ?   ?   131.374   12.623 0.000000 12.62342 
1 1 1    1   28   23 o   22.835   6.9625   80.613   52.931   99.675  220.946   79.452   54.518   34.466   13.812   22.775   7.0871 11.69103 15.52453 
1 1 1    1   28   24 o  126.683   4.7639  2460.90  184.204  2747.42  482.720  2412.07  199.283  131.633   12.152  125.361   5.2082 6.272377 13.22094 
1 1 1    1   28   25 o   70.379   12.216  801.198  252.906  801.198  252.906   0.0000   0.0000   70.379   12.216  ?   ?  0.000000 12.21649 
1 1 1    1   28   31 o  116.895   7.0561  2127.06  250.577  2210.42  941.649  2120.71  259.950  104.796   28.628  116.627   7.3400 -11.83092 29.55414 
1 1 1    1   28   32 o   86.088   5.8713  1149.89  153.354  1202.70  220.888  1100.75  213.073   87.324   8.3907   83.479   8.4802 3.845161 11.92972 
1 1 1    1   28   33 o  126.909   6.8024  2507.34  262.538  2469.79  275.096  2890.64  878.948  125.807   7.1940  123.701   24.146 2.105911 25.19502 
1 1 1    1   28   34 o  100.487   7.3152  1581.49  222.824  1596.80  231.949  1398.21  802.314  100.878   7.5888   82.413   27.339 18.46434 28.37290 
1 1 1    1   29    0 o  261.242   12.929 10588.96  1025.19 10588.96  1025.19 10588.96  1025.19  261.242   12.929  261.242   12.929 -0.000000 0.000000 
1 1 1    1   29    1 o  252.413   12.576  9955.82  968.859 10051.45  1377.34  9862.16  1363.11  249.902   18.182  247.538   18.168 2.364120 25.70370 
1 1 1    1   29    2 o  229.020   17.515  8418.27  1215.07  8418.27  1215.07   0.0000   0.0000  229.020   17.515  ?   ?  0.000000 17.51530 
1 1 1    1   29    3 f  242.911   12.773  9252.18  943.714  8853.32  1348.93  9634.54  1320.74  233.821   19.067  244.871   17.793 -11.04922 26.07946 
1 1 1    1   29    4 o  111.853   14.801  2003.79  492.900   0.0000   0.0000  2003.79  492.900  ?   ?   111.853   14.801 0.000000 14.80109 
1 1 1    1   29    5 o  152.653   14.778  3706.68  679.956   0.0000   0.0000  3706.68  679.956  ?   ?   152.653   14.778 0.000000 14.77848 
1 1 1    1   29    6 o   48.585   14.229  379.035  224.540  743.667  472.376  272.596  255.217   67.290   20.849   43.809   15.399 23.48143 25.91872 
1 1 1    1   29    7 o  229.154   16.440  8392.57  1142.25   0.0000   0.0000  8392.57  1142.25  ?   ?   229.154   16.440 0.000000 16.44038 
1 1 1    1   29    8 f  128.516   12.706  2608.68  491.885   0.0000   0.0000  2608.68  491.885  ?   ?   128.516   12.706 0.000000 12.70617 
1 1 1    1   29    9 o  183.608   9.9064  5241.25  553.112  5275.16  778.833  5206.74  785.648  182.507   14.090  181.206   14.322 1.301376 20.09100 
1 1 1    1   29   10 o  316.360   8.4931 15456.10  820.092 15246.72  901.039 16466.85  1979.70  313.790   9.4078  317.050   20.569 -3.259399 22.61808 
1 1 1    1   29   11 f  232.971   16.609  8705.53  1173.33  8705.53  1173.33   0.0000   0.0000  232.971   16.609  ?   ?  0.000000 16.60942 
1 1 1    1   29   12 o   79.914   13.425  1029.54  315.858  1029.54  315.858   0.0000   0.0000   79.914   13.425  ?   ?  0.000000 13.42546 
1 1 1    1   29   13 o  212.554   15.591  7224.06  1004.46  7224.06  1004.46   0.0000   0.0000  212.554   15.591  ?   ?  0.000000 15.59141 
1 1 1    1   29   14 o  103.950   8.5543  1681.75  269.003  1705.02  380.158  1658.40  380.698  103.637   12.255  102.122   12.473 1.514748 17.48600 
1 1 1    1   29   15 o  115.512   8.5225  2074.65  298.355  1999.17  421.415  2150.51  422.462  112.191   12.520  116.568   12.048 -4.377357 17.37523 
1 1 1    1   29   16 o   72.921   4.2560  817.101   94.315  827.763  100.083  732.515  281.894   73.369   4.4908   66.811   14.258 6.558418 14.94845 
1 1 1    1   29   17 o   58.050   14.488  556.017  255.882   0.0000   0.0000  556.017  255.882  ?   ?    58.050   14.488 0.000000 14.48787 
1 1 1    1   29   18 o   59.014   4.4159  536.600   78.965  478.473  248.929  543.103   83.265   53.897   14.718   59.345   4.6336 -5.448097 15.42973 
1 1 1    1   29   19 o   74.539   4.3147  854.144   97.743  856.213  286.849  853.872  103.965   72.452   13.467   74.490   4.5951 -2.038185 14.22947 
1 1 1    1   29   20 o  121.879   4.5843  2277.74  170.535  2278.64  184.613  2272.51  445.246  121.853   4.9638  119.392   12.399 2.460632 13.35569 
1 1 1    1   29   31 o  124.681   7.4689  2435.16  282.924  2435.16  282.924   0.0000   0.0000  124.681   7.4689  ?   ?  0.000000 7.468940 
1 1 1    1   30    0 o  196.919   11.335  6028.96  676.109  6028.96  676.109  6028.96  676.109  196.919   11.335  196.919   11.335 0.000000 0.000000 
1 1 1    1   30    1 o   92.957   9.9847  1358.36  278.852  1651.77  392.032  1057.90  396.722  101.687   12.923   79.788   16.820 21.89972 21.21152 
1 1 1    1   30    2 f  211.350   11.661  7014.62  749.324  6479.27  1051.03  7568.01  1068.60  199.680   17.419  216.721   16.273 -17.04089 23.83818 
1 1 1    1   30    3 o  122.253   11.149  2353.49  411.461  2391.79  598.921  2319.26  566.240  121.045   16.652  119.493   15.921 1.551628 23.03852 
1 1 1    1   30    4 o  101.358   9.7262  1610.49  297.203  1942.28  541.879  1467.75  355.433  108.778   16.867   95.911   12.434 12.86702 20.95479 
1 1 1    1   30    5 o   61.942   11.642  619.304  212.034  516.423  469.300  645.692  237.676   58.551   20.849   62.982   12.800 -4.431103 24.46505 
1 1 1    1   30    6 o  238.328   11.329  8889.64  824.112 10218.21  1198.47  7697.94  1135.05  252.278   15.641  217.702   17.223 34.57628 23.26525 
1 1 1    1   30    7 o  208.918   9.9890  6795.03  636.968  8933.07  944.605  5012.15  862.589  237.554   13.078  175.977   16.243 61.57733 20.85348 
1 1 1    1   30    8 o  202.575   16.452  6645.66  1008.46  6645.66  1008.46   0.0000   0.0000  202.575   16.452  ?   ?  0.000000 16.45227 
1 1 1    1   30    9 o   42.688   13.881  282.394  207.210  438.123  430.229  235.361  236.440   54.883   19.910   41.168   14.784 13.71554 24.79900 
1 1 1    1   30   10 o   75.989   9.0696  908.666  206.201  923.585  287.076  892.766  296.370   75.511   12.920   73.989   13.626 1.522270 18.77738 
1 1 1    1   30   11 o  118.868   4.4572  2165.71  161.714  2203.20  174.866  1944.22  425.018  119.854   4.7801  110.229   12.875 9.625587 13.73400 
1 1 1    1   30   12 o  101.239   8.4642  1599.79  259.147  1564.09  365.661  1635.81  367.323   98.861   12.390  101.227   12.130 -2.365921 17.33973 
1 1 1    1   30   13 o   53.995   14.390  482.501  241.455  482.501  241.455   0.0000   0.0000   53.995   14.390  ?   ?  0.000000 14.39013 
1 1 1    1   30   14 o  155.694   13.198  3876.59  621.298  3876.59  621.298   0.0000   0.0000  155.694   13.198  ?   ?  0.000000 13.19834 
1 1 1    1   30   15 o   28.222   12.112  -1.1741  187.202  -1.1741  187.202   0.0000   0.0000   28.222   12.112  ?   ?  0.000000 12.11227 
1 1 1    1   30   16 o   86.846   4.5670  1160.34  120.635  1160.34  120.635   0.0000   0.0000   86.846   4.5670  ?   ?  0.000000 4.567024 
1 1 1    1   30   17 o   69.758   13.364  800.604  274.182  800.604  274.182   0.0000   0.0000   69.758   13.364  ?   ?  0.000000 13.36396 
1 1 1    1   31    1 o   60.477   14.495  609.960  264.084  699.432  338.020  469.797  423.077   64.206   16.986   55.348   19.787 8.857094 26.07748 
1 1 1    1   31    2 o   54.127   17.259  480.201  321.468  487.976  440.440  471.338  470.273   56.311   20.183   56.344   20.759 -0.3355789E-01 28.95278 
1 1 1    1   31    3 o  154.774   8.4196  3733.16  396.250  3925.95  701.241  3642.73  480.279  155.359   14.974  152.055   10.411 3.303940 18.23733 
1 1 1    1   31    4 o   55.163   13.019  503.058  215.672  606.723  437.842  469.847  247.823   60.512   20.202   53.147   14.754 7.364639 25.01600 
1 1 1    1   31    5 o   63.921   11.142  660.731  209.471  920.332  444.266  586.521  237.532   72.754   19.576   59.514   13.399 13.24051 23.72287 
1 1 1    1   31    6 o   34.091   12.639  148.995  174.840  146.165  405.795  149.641  193.746   44.393   18.366   35.041   13.240 9.352631 22.64116 
1 1 1    1   31    7 o  125.414   4.4358  2413.22  169.799  2564.47  186.507  1680.66  410.449  129.238   4.7281  101.675   13.564 27.56341 14.36474 
1 1 1    1   31    8 o  125.335   9.1906  2465.54  349.136  3027.10  558.674  2105.68  447.224  136.834   13.555  114.159   13.071 22.67496 18.83019 
1 1 1    1   31    9 o   72.899   13.399  874.993  287.149   0.0000   0.0000  874.993  287.149  ?   ?    72.899   13.399 0.000000 13.39917 
1 1 1    1   31   12 o   98.431   4.6355  1488.28  139.265  1488.28  139.265   0.0000   0.0000   98.431   4.6355  ?   ?  0.000000 4.635482 
1 1 1    1   31   13 o   85.207   12.437  1182.12  313.921  1182.12  313.921   0.0000   0.0000   85.207   12.437  ?   ?  0.000000 12.43710 
1 1 1    1   32    0 o  183.020   15.864  5378.57  870.889  5378.57  870.889  5378.57  870.889  183.020   15.864  183.020   15.864 0.000000 0.000000 
1 1 1    1   32    1 o  157.074   10.948  3939.48  521.579  3823.52  712.643  4073.26  765.431  151.333   15.655  155.637   16.358 -4.304321 22.64175 
1 1 1    1   32    2 o  179.679   11.079  5155.95  604.654  5326.40  881.837  5004.70  830.675  178.053   16.411  173.035   15.906 5.017914 22.85469 
1 1 1    1   32    4 o  184.373   16.107  5696.16  897.300  5696.16  897.300   0.0000   0.0000  184.373   16.107  ?   ?  0.000000 16.10664 
1 1 1    1   32    5 o  103.257   12.100  1731.76  374.131  2217.33  512.802  1179.14  547.062  115.299   14.922   79.829   21.826 35.46988 26.43921 
1 1 1    1   32    6 o  115.783   11.415  2160.00  398.167  2579.73  542.681  1670.60  585.995  124.680   14.533   96.191   20.581 28.48921 25.19522 
1 1 1    1   32    7 o   82.418   13.921  1134.04  337.712  1233.67  445.298  999.163  518.126   83.847   17.942   73.532   21.637 10.31562 28.10835 
1 1 1    1   33    2 o  150.113   15.316  3830.64  691.903   0.0000   0.0000  3830.64  691.903  ?   ?   150.113   15.316 0.000000 15.31568 
1 1 1    1   33    3 o   47.281   19.410  254.410  448.677   0.0000   0.0000  254.410  448.677  ?   ?    47.281   19.410 0.000000 19.41008 
1 1 1    2    0    0 o  1181.39   70.103 217932.91 25074.60 217932.91 25074.60 217932.91 25074.60  1181.39   70.103  1181.39   70.103 0.000000 0.000000 
1 1 1    2    0    1 o   55.101   6.3640  481.704  103.317  481.704  103.317  481.704  103.317   55.101   6.3640   55.101   6.3640 0.000000 0.000000 
1 1 1    2    0    2 o  466.916   28.427 33778.54  4016.84 33778.54  4016.84 33778.54  4016.84  466.916   28.427  466.916   28.427 -0.000000 0.000000 
1 1 1    2    0    3 o  740.410   14.030 83840.34  3168.09 83840.34  3168.09 83840.34  3168.09  740.410   14.030  740.410   14.030 -0.000000 0.000000 
1 1 1    2    0    4 o   33.784   2.7780  177.695   28.200  177.695   28.200  177.695   28.200   33.784   2.7780   33.784   2.7780 -0.000000 0.000000 
1 1 1    2    0    5 o  714.956   23.369 78494.02  5087.23 78494.02  5087.23 78494.02  5087.23  714.956   23.369  714.956   23.369 -0.000000 0.000000 
1 1 1    2    0    6 o  879.059   22.094 118479.40  5919.49 118479.40  5919.49 118479.40  5919.49  879.059   22.094  879.059   22.094 -0.000000 0.000000 
1 1 1    2    0    7 o  655.024   14.432 65654.67  2882.29 65654.67  2882.29 65654.67  2882.29  655.024   14.432  655.024   14.432 0.000000 0.000000 
1 1 1    2    0    8 o  128.595   3.4628  2529.34  135.691  2529.34  135.691  2529.34  135.691  128.595   3.4628  128.595   3.4628 -0.000000 0.000000 
1 1 1    2    0    9 o  1132.25   39.260 198350.50 13530.78 198350.50 13530.78 198350.50 13530.78  1132.25   39.260  1132.25   39.260 0.000000 0.000000 
1 1 1    2    0   10 o  1175.73   71.421 220891.70 25413.34 220891.70 25413.34 220891.70 25413.34  1175.73   71.421  1175.73   71.421 0.000000 0.000000 
1 1 1    2    0   11 o  737.327   19.874 83410.31  4465.28 83410.31  4465.28 83410.31  4465.28  737.327   19.874  737.327   19.874 0.000000 0.000000 
1 1 1    2    0   12 o  728.507   43.896 83285.30  9679.52 83285.30  9679.52 83285.30  9679.52  728.507   43.896  728.507   43.896 0.000000 0.000000 
1 1 1    2    0   13 o  1021.70   19.326 160108.80  6021.78 160108.80  6021.78 160108.80  6021.78  1021.70   19.326  1021.70   19.326 -0.000000 0.000000 
1 1 1    2    0   14 o   41.716   3.5839  271.457   44.858  271.457   44.858  271.457   44.858   41.716   3.5839   41.716   3.5839 -0.000000 0.000000 
1 1 1    2    0   15 o  154.714   3.7127  3659.97  175.093  3659.97  175.093  3659.97  175.093  154.714   3.7127  154.714   3.7127 0.000000 0.000000 
1 1 1    2    0   16 o  500.058   7.9074 38223.43  1206.21 38223.43  1206.21 38223.43  1206.21  500.058   7.9074  500.058   7.9074 -0.000000 0.000000 
1 1 1    2    0   17 o  197.281   3.6240  5946.69  218.053  5946.69  218.053  5946.69  218.053  197.281   3.6240  197.281   3.6240 0.000000 0.000000 
1 1 1    2    0   18 o  393.427   7.7605 23666.54  931.092 23666.54  931.092 23666.54  931.092  393.427   7.7605  393.427   7.7605 0.000000 0.000000 
1 1 1    2    0   19 o  584.424   35.434 53365.28  6267.55 53365.28  6267.55 53365.28  6267.55  584.424   35.434  584.424   35.434 0.000000 0.000000 
1 1 1    2    0   20 o  234.027   7.1514  8385.41  509.750  8385.41  509.750  8385.41  509.750  234.027   7.1514  234.027   7.1514 0.000000 0.000000 
1 1 1    2    0   21 o  278.937   12.792 11963.14  1083.88 11963.14  1083.88 11963.14  1083.88  278.937   12.792  278.937   12.792 -0.000000 0.000000 
1 1 1    2    0   22 o   58.241   2.9487  521.669   52.112  521.669   52.112  521.669   52.112   58.241   2.9487   58.241   2.9487 0.000000 0.000000 
1 1 1    2    0   23 o  536.152   11.266 43963.17  1841.86 43963.17  1841.86 43963.17  1841.86  536.152   11.266  536.152   11.266 0.000000 0.000000 
1 1 1    2    0   24 o  526.395   9.5828 42353.36  1538.49 42353.36  1538.49 42353.36  1538.49  526.395   9.5828  526.395   9.5828 -0.000000 0.000000 
1 1 1    2    0   25 o  745.418   13.578 84978.20  3086.88 84978.20  3086.88 84978.20  3086.88  745.418   13.578  745.418   13.578 0.000000 0.000000 
1 1 1    2    0   26 o   46.577   2.7714  334.599   39.080  334.599   39.080  334.599   39.080   46.577   2.7714   46.577   2.7714 -0.000000 0.000000 
1 1 1    2    0   27 o  511.814   6.9990 40012.17  1092.91 40012.17  1092.91 40012.17  1092.91  511.814   6.9990  511.814   6.9990 -0.000000 0.000000 
1 1 1    2    0   28 o  224.209   4.7086  7683.02  321.909  7683.02  321.909  7683.02  321.909  224.209   4.7086  224.209   4.7086 -0.000000 0.000000 
1 1 1    2    0   29 o  434.864   6.9755 28891.82  925.329 28891.82  925.329 28891.82  925.329  434.864   6.9755  434.864   6.9755 -0.000000 0.000000 
1 1 1    2    0   30 o  266.344   4.4881 10836.91  364.623 10836.91  364.623 10836.91  364.623  266.344   4.4881  266.344   4.4881 0.000000 0.000000 
1 1 1    2    0   31 o  479.494   6.5972 35118.93  965.106 35118.93  965.106 35118.93  965.106  479.494   6.5972  479.494   6.5972 0.000000 0.000000 
1 1 1    2    0   32 o  268.625   5.3522 11027.88  438.432 11027.88  438.432 11027.88  438.432  268.625   5.3522  268.625   5.3522 -0.000000 0.000000 
1 1 1    2    0   33 o  161.637   4.0402  3995.21  199.044  3995.21  199.044  3995.21  199.044  161.637   4.0402  161.637   4.0402 0.000000 0.000000 
1 1 1    2    0   34 o   93.014   2.9049  1324.29   82.287  1324.29   82.287  1324.29   82.287   93.014   2.9049   93.014   2.9049 -0.000000 0.000000 
1 1 1    2    0   35 o  311.316   7.7920 14827.35  739.354 14827.35  739.354 14827.35  739.354  311.316   7.7920  311.316   7.7920 0.000000 0.000000 
1 1 1    2    0   36 o  523.758   13.265 42029.23  2117.45 42029.23  2117.45 42029.23  2117.45  523.758   13.265  523.758   13.265 -0.000000 0.000000 
1 1 1    2    0   37 o  159.254   13.320  3960.23  637.048  3960.23  637.048  3960.23  637.048  159.254   13.320  159.254   13.320 0.000000 0.000000 
1 1 1    2    0   38 o  675.784   41.317 72399.31  8449.26 72399.31  8449.26 72399.31  8449.26  675.784   41.317  675.784   41.317 0.000000 0.000000 
1 1 1    2    0   39 o  308.526   8.9305 14585.79  839.380 14585.79  839.380 14585.79  839.380  308.526   8.9305  308.526   8.9305 0.000000 0.000000 
1 1 1    2    0   40 o  128.824   3.5622  2539.22  139.825  2539.22  139.825  2539.22  139.825  128.824   3.5622  128.824   3.5622 -0.000000 0.000000 
1 1 1    2    0   41 o  177.748   4.2554  4832.08  230.567  4832.08  230.567  4832.08  230.567  177.748   4.2554  177.748   4.2554 -0.000000 0.000000 
1 1 1    2    0   42 o   16.978   9.6495   57.114   77.754   57.114   77.754   57.114   77.754   16.978   9.6495   16.978   9.6495 0.000000 0.000000 
1 1 1    2    0   43 o  425.696   18.638 28084.19  2411.15 28084.19  2411.15 28084.19  2411.15  425.696   18.638  425.696   18.638 -0.000000 0.000000 
1 1 1    2    0   44 o  238.810   4.2098  8716.24  306.642  8716.24  306.642  8716.24  306.642  238.810   4.2098  238.810   4.2098 -0.000000 0.000000 
1 1 1    2    0   45 o  110.126   3.3791  1856.72  113.339  1856.72  113.339  1856.72  113.339  110.126   3.3791  110.126   3.3791 0.000000 0.000000 
1 1 1    2    0   46 o  241.771   5.0139  8939.65  369.640  8939.65  369.640  8939.65  369.640  241.771   5.0139  241.771   5.0139 -0.000000 0.000000 
1 1 1    2    0   47 o   80.933   3.0832  1004.31   75.911  1004.31   75.911  1004.31   75.911   80.933   3.0832   80.933   3.0832 -0.000000 0.000000 
1 1 1    2    0   48 o  257.326   6.2815 10137.89  492.693 10137.89  492.693 10137.89  492.693  257.326   6.2815  257.326   6.2815 0.000000 0.000000 
1 1 1    2    0   49 o  193.377   5.5617  5727.50  327.656  5727.50  327.656  5727.50  327.656  193.377   5.5617  193.377   5.5617 0.000000 0.000000 
1 1 1    2    0   50 o  315.742   6.4580 15256.94  621.784 15256.94  621.784 15256.94  621.784  315.742   6.4580  315.742   6.4580 -0.000000 0.000000 
1 1 1    2    0   51 o  218.365   4.9667  7295.08  330.643  7295.08  330.643  7295.08  330.643  218.365   4.9667  218.365   4.9667 0.000000 0.000000 
1 1 1    2    0   52 o   17.447   10.294   52.481   93.798   52.481   93.798   52.481   93.798   17.447   10.294   17.447   10.294 0.000000 0.000000 
1 1 1    2    0   53 o  182.865   5.0656  5120.44  282.242  5120.44  282.242  5120.44  282.242  182.865   5.0656  182.865   5.0656 -0.000000 0.000000 
1 1 1    2    0   54 o  274.029   4.0827 11476.03  341.303 11476.03  341.303 11476.03  341.303  274.029   4.0827  274.029   4.0827 -0.000000 0.000000 
1 1 1    2    0   55 o  325.746   8.6544 16286.14  859.093 16286.14  859.093 16286.14  859.093  325.746   8.6544  325.746   8.6544 0.000000 0.000000 
1 1 1    2    0   56 o   79.414   3.5663  968.899   86.046  968.899   86.046  968.899   86.046   79.414   3.5663   79.414   3.5663 0.000000 0.000000 
1 1 1    2    0   57 o  285.041   7.7458 12469.72  672.769 12469.72  672.769 12469.72  672.769  285.041   7.7458  285.041   7.7458 0.000000 0.000000 
1 1 1    2    0   58 o  106.478   3.8692  1738.75  125.371  1738.75  125.371  1738.75  125.371  106.478   3.8692  106.478   3.8692 0.000000 0.000000 
1 1 1    2    0   59 o  129.849   3.6331  2581.64  143.734  2581.64  143.734  2581.64  143.734  129.849   3.6331  129.849   3.6331 0.000000 0.000000 
1 1 1    2    0   60 o   28.943   6.1739  144.268   47.922  144.268   47.922  144.268   47.922   28.943   6.1739   28.943   6.1739 0.000000 0.000000 
1 1 1    2    0   61 o  153.993   8.5029  3676.66  396.873  3676.66  396.873  3676.66  396.873  153.993   8.5029  153.993   8.5029 -0.000000 0.000000 
1 1 1    2    0   62 o   27.920   13.276  177.505  129.022  177.505  129.022  177.505  129.022   27.920   13.276   27.920   13.276 -0.000000 0.000000 
1 1 1    2    0   63 o  138.851   3.3245  2951.50  140.710  2951.50  140.710  2951.50  140.710  138.851   3.3245  138.851   3.3245 -0.000000 0.000000 
1 1 1    2    0   64 o   34.911   13.876  261.621  142.774  261.621  142.774  261.621  142.774   34.911   13.876   34.911   13.876 0.000000 0.000000 
1 1 1    2    1    0 o  471.237   12.177 33983.73  1748.79 33983.73  1748.79 33983.73  1748.79  471.237   12.177  471.237   12.177 0.000000 0.000000 
1 1 1    2    1    1 o  1135.29   32.435 198875.41 11239.29 203324.50 12978.18 185529.59 22477.73  1145.99   37.104  1074.20   68.920 71.78833 78.27335 
1 1 1    2    1    2 o  348.322   5.0027 18520.95  531.871 19376.91  752.219 17665.17  752.138  356.237   6.9181  340.130   7.2450 16.10693 10.01748 
1 1 1    2    1    3 f  196.167   6.7790  5875.60  405.891  5675.30  573.763  6076.26  574.271  192.494   9.7980  199.443   9.4337 -6.948776 13.60128 
1 1 1    2    1    4 o  189.387   3.4999  5474.48  202.310  5643.37  247.825  5137.10  350.279  192.280   4.2227  183.431   6.2564 8.848816 7.548123 
1 1 1    2    1    5 o  552.276   9.0865 46590.73  1531.69 46098.81  2166.23 47082.56  2166.04  549.094   12.925  554.932   12.788 -5.838806 18.18243 
1 1 1    2    1    6 o  600.173   10.395 55040.02  1904.18 53069.43  2290.33 59451.42  3426.79  589.148   12.737  622.987   18.022 -33.83917 22.06807 
1 1 1    2    1    7 o  105.714   2.7714  1705.65   89.423  1771.06  118.251  1618.28  136.663  107.718   3.5966  102.964   4.3486 4.754662 5.643245 
1 1 1    2    1    8 o  760.843   16.043 88630.02  3725.73 89154.89  4928.44 87930.02  5691.50  762.178   21.185  756.172   24.660 6.006714 32.51036 
1 1 1    2    1    9 o  351.749   5.1070 18888.87  548.302 18166.70  817.635 19479.02  739.128  344.880   7.7674  357.154   6.7803 -12.27402 10.31040 
1 1 1    2    1   10 o  842.752   12.013 108616.50  3090.18 118305.30  4606.49 100688.90  4166.86  878.578   17.178  810.597   16.842 67.98108 24.05677 
1 1 1    2    1   11 o  730.156   10.120 81497.47  2255.37 82176.13  2762.29 80140.24  3906.31  732.891   12.348  722.808   17.706 10.08301 21.58696 
1 1 1    2    1   12 o  542.953   7.1569 45032.79  1186.05 45501.69  1677.39 44563.96  1677.28  545.514   10.074  539.853   10.179 5.661194 14.32149 
1 1 1    2    1   13 o  357.387   4.3400 19500.36  473.417 19960.77  741.421 19183.43  615.146  361.478   6.7199  354.419   5.6865 7.059113 8.803057 
1 1 1    2    1   14 o  316.210   4.3319 15266.55  418.094 15447.04  591.254 15086.04  591.294  318.002   6.0915  314.261   6.1645 3.741333 8.666461 
1 1 1    2    1   15 o  396.049   5.2052 23955.30  629.222 24010.43  1109.38 23929.15  763.997  396.199   9.1738  395.763   6.3247 0.4356689 11.14275 
1 1 1    2    1   16 o  387.587   5.3536 22943.97  633.338 22685.46  873.950 23229.87  919.105  385.256   7.4323  389.827   7.7246 -4.571442 10.71951 
1 1 1    2    1   17 o  216.510   2.9551  7155.54  195.283  7176.63  299.994  7140.03  257.250  216.795   4.5336  216.256   3.8974 0.5382080 5.978569 
1 1 1    2    1   18 o   83.324   2.8860  1059.78   73.397  958.710   82.043  1464.92  164.260   79.249   3.3918   97.784   5.5262 -18.53501 6.484133 
1 1 1    2    1   19 o  373.273   5.2073 21275.41  593.275 22535.03  1187.32 20856.26  684.907  383.871   10.134  369.541   6.0723 14.33008 11.81367 
1 1 1    2    1   20 o  104.382   3.0416  1663.07   96.906  1572.56  331.475  1671.53  101.334  100.817   10.948  104.647   3.1726 -3.829475 11.39841 
1 1 1    2    1   21 o  344.740   6.1189 18147.10  643.841 18636.31  876.079 17572.58  949.388  349.279   8.2178  339.123   9.1721 10.15564 12.31501 
1 1 1    2    1   22 o  450.908   6.8432 31048.21  941.818 31254.12  1171.54 30671.99  1583.57  452.324   8.4857  447.905   11.583 4.419373 14.35905 
1 1 1    2    1   23 o  128.891   1.9595  2535.43   77.088  2712.81  108.913  2357.36  109.127  133.320   2.6765  124.279   2.8768 9.041862 3.929356 
1 1 1    2    1   24 o  795.329   8.5757 96621.04  2081.77 96221.16  2594.21 97344.28  3488.86  793.482   10.712  797.657   14.330 -4.175781 17.89102 
1 1 1    2    1   25 o   94.141   2.4996  1352.63   71.824  1390.37  114.324  1328.02   92.318   95.440   3.9245   93.278   3.2426 2.161606 5.090796 
1 1 1    2    1   26 o  567.381   6.6658 49155.94  1154.37 49772.15  1807.65 48731.59  1500.07  570.703   10.377  564.817   8.7014 5.885315 13.54268 
1 1 1    2    1   27 o  442.092   4.8979 29836.40  660.901 29855.29  919.132 29816.18  950.992  442.168   6.8104  441.869   7.0512 0.2991638 9.803149 
1 1 1    2    1   28 o  301.492   4.2741 13875.33  393.308 13969.71  570.130 13789.63  543.282  302.475   6.1754  300.526   5.9228 1.949738 8.556602 
1 1 1    2    1   29 o  511.899   7.4412 40021.00  1162.64 39824.78  1490.06 40326.39  1858.90  510.516   9.5626  513.547   11.859 -3.030975 15.23436 
1 1 1    2    1   30 o  850.099   8.4101 110399.00  2182.17 110938.00  3269.77 109966.10  2930.18  851.639   12.579  848.083   11.320 3.556824 16.92240 
1 1 1    2    1   31 o  374.801   4.9519 21445.96  566.484 20932.81  1022.71 21673.08  680.395  370.132   9.0527  376.751   5.9168 -6.618805 10.81485 
1 1 1    2    1   32 o  264.473   3.7876 10676.89  305.748 10637.72  541.074 10695.26  370.586  263.924   6.7168  264.686   4.5871 -0.7619629 8.133669 
1 1 1    2    1   33 o  476.205   7.1005 34636.40  1032.05 33898.51  1735.02 35040.45  1283.89  470.739   12.076  478.870   8.7840 -8.131287 14.93244 
1 1 1    2    1   34 o  361.941   4.8626 20000.73  537.189 20318.29  759.377 19682.63  760.024  364.730   6.8213  358.974   6.9366 5.755676 9.728681 
1 1 1    2    1   35 o  457.020   6.1080 31899.03  852.030 32974.50  1502.65 31389.40  1034.39  464.316   10.603  453.271   7.4767 11.04477 12.97394 
1 1 1    2    1   36 o  350.871   4.7106 18797.55  504.476 18586.10  713.455 19008.98  713.419  348.801   6.7015  352.751   6.6261 -3.949799 9.424193 
1 1 1    2    1   37 o  183.727   3.0575  5152.79  171.460  5218.80  237.594  5081.04  247.681  184.878   4.2105  182.417   4.4485 2.461502 6.125120 
1 1 1    2    1   38 o  240.681   4.9910  8847.64  366.645  8747.39  384.776  9836.79  1208.65  239.303   5.2680  252.371   15.770 -13.06862 16.62645 
1 1 1    2    1   39 o  262.926   3.8179 10555.98  306.389 10422.44  443.350 10678.06  423.904  261.174   5.5616  264.375   5.2533 -3.200378 7.650378 
1 1 1    2    1   40 o  224.824   3.9040  7719.07  267.895  7501.50  338.350  8084.64  438.583  221.584   5.0028  229.964   6.2485 -8.379776 8.004450 
1 1 1    2    1   41 o  154.066   2.5011  3623.56  117.614  3611.37  184.576  3631.89  152.609  153.772   3.9326  154.227   3.2419 -0.4550171 5.096606 
1 1 1    2    1   42 o  208.897   3.5890  6664.16  228.838  6994.75  365.764  6451.53  293.341  213.912   5.6021  205.489   4.6770 8.422775 7.297780 
1 1 1    2    1   43 o  242.388   3.0257  8970.85  223.850  9138.23  273.816  8633.58  388.697  244.610   3.6675  237.658   5.3585 6.951721 6.493360 
1 1 1    2    1   44 o   88.335   2.1297  1191.17   57.420  1203.33   88.959  1182.48   75.177   88.769   3.2833   88.004   2.7988 0.7645035 4.314320 
1 1 1    2    1   45 o  341.812   5.2434 17861.36  547.035 17497.86  920.623 18059.75  680.124  337.759   8.9301  343.547   6.4861 -5.787506 11.03707 
1 1 1    2    1   46 o  120.282   2.5122  2208.88   92.230  2296.80  130.676  2121.62  130.191  122.629   3.4913  117.856   3.6192 4.772682 5.028687 
1 1 1    2    1   47 o  208.577   2.8848  6643.12  183.652  6711.74  238.301  6542.74  288.203  209.611   3.7247  206.906   4.5636 2.705688 5.890681 
1 1 1    2    1   48 o  320.068   3.6320 15648.77  354.814 15386.93  501.671 15910.84  501.894  317.225   5.1813  322.590   5.0973 -5.365326 7.268307 
1 1 1    2    1   49 o  317.210   3.7007 15371.38  358.305 15125.55  498.589 15633.93  515.261  314.512   5.1938  319.743   5.2797 -5.231384 7.406151 
1 1 1    2    1   50 o   80.039   2.5830  978.138   63.101  983.286   85.669  972.033   93.293   80.233   3.4983   79.765   3.8319 0.4675674 5.188632 
1 1 1    2    1   51 o  122.177   3.0319  2279.65  113.062  2095.36  197.268  2369.80  137.972  117.042   5.5221  124.551   3.6293 -7.509628 6.607961 
1 1 1    2    1   52 f  252.348   4.8058  9735.75  370.152 10037.55  547.951  9482.45  502.009  255.970   7.0135  248.845   6.6095 7.125351 9.637129 
1 1 1    2    1   53 o  168.383   2.8112  4329.77  144.478  3960.99  262.083  4490.76  173.167  160.916   5.3361  171.463   3.3088 -10.54688 6.278704 
1 1 1    2    1   54 o  117.427   2.1794  2105.24   78.111  1955.19  107.844  2270.82  113.287  113.140   3.1230  121.933   3.0440 -8.793427 4.361043 
1 1 1    2    1   55 o  299.927   4.1607 13750.89  380.888 13637.66  538.485 13864.26  538.829  298.441   5.9115  300.918   5.8666 -2.476746 8.328437 
1 1 1    2    1   56 o  107.029   2.6085  1749.42   85.212  1791.69  125.389  1713.14  116.156  108.272   3.7943  105.880   3.5943 2.391907 5.226406 
1 1 1    2    1   57 o  180.922   3.9088  5004.08  215.852  4864.26  305.135  5144.12  305.388  178.213   5.6096  183.286   5.4589 -5.072388 7.827376 
1 1 1    2    1   58 o  176.212   2.9913  4744.02  160.886  4604.02  219.470  4906.64  236.542  173.502   4.1443  179.096   4.3272 -5.593765 5.991651 
1 1 1    2    1   59 o  167.731   2.4261  4297.11  124.205  4047.15  209.855  4431.88  154.092  162.641   4.2274  170.306   2.9644 -7.664627 5.163181 
1 1 1    2    1   60 o   42.329   3.2314  275.491   41.433  290.257   64.132  264.913   54.283   43.247   4.9475   41.372   4.3646 1.874767 6.597574 
1 1 1    2    1   61 f  124.865   2.8696  2383.08  109.365  2328.59  137.525  2476.82  180.382  123.370   3.6522  127.138   4.6484 -3.767670 5.911508 
1 1 1    2    1   62 o  113.656   3.4389  1976.45  119.297  2028.85  178.073  1933.78  160.686  114.979   5.0742  112.298   4.6880 2.680466 6.908289 
1 1 1    2    1   63 o   90.700   3.1054  1258.47   85.969  1183.36  151.254  1294.32  104.488   87.523   5.6930   91.934   3.7237 -4.411278 6.802614 
1 1 1    2    1   64 o  118.580   2.7184  2150.39   98.387  2330.10  179.580  2073.31  117.609  123.169   4.7768  116.377   3.3110 6.791496 5.812134 
1 1 1    2    2    0 o  584.906   15.877 52396.96  2829.79 52396.96  2829.79 52396.96  2829.79  584.906   15.877  584.906   15.877 0.000000 0.000000 
1 1 1    2    2    1 o  254.345   9.3994  9882.13  729.695 10100.22  893.817  9446.34  1263.51  257.079   11.391  247.849   16.801 9.230118 20.29893 
1 1 1    2    2    2 o  646.925   19.027 64122.68  3756.96 67626.55  6508.08 62371.41  4601.02  661.934   32.212  637.345   23.652 24.58875 39.96289 
1 1 1    2    2    3 f  297.638   4.2074 13522.22  382.226 13237.50  540.953 13806.08  540.146  294.457   6.0189  300.717   5.8848 -6.259949 8.417783 
1 1 1    2    2    4 o  570.804   10.603 49786.23  1847.21 54079.92  2612.77 45495.33  2611.92  594.592   14.397  545.242   15.695 49.34998 21.29770 
1 1 1    2    2    5 o  442.982   11.201 29990.69  1514.49 38643.37  3930.57 28482.11  1641.21  500.634   25.811  431.623   12.458 69.01111 28.65985 
1 1 1    2    2    6 o  514.537   16.952 40541.53  2662.35 42864.81  3261.46 35901.41  4609.21  528.696   20.211  481.190   31.558 47.50656 37.47494 
1 1 1    2    2    7 o  382.413   5.5512 22326.42  647.942 22397.18  793.609 22184.95  1122.14  382.982   6.7891  381.052   9.6482 1.930328 11.79741 
1 1 1    2    2    8 o  308.638   5.3108 14542.81  500.298 15009.42  776.259 14211.27  654.322  313.473   8.1132  305.057   7.0274 8.415375 10.73347 
1 1 1    2    2    9 o  571.022   10.142 49833.52  1767.59 52101.04  2404.82 47168.93  2606.89  583.543   13.502  555.023   15.388 28.51941 20.47203 
1 1 1    2    2   10 o  560.364   6.9100 47956.56  1181.85 51654.88  2132.47 46316.98  1419.86  581.136   12.022  550.601   8.4487 30.53473 14.69411 
1 1 1    2    2   11 o  263.926   3.3524 10632.50  270.058 11277.29  422.773 10188.05  351.003  271.776   5.0966  258.331   4.4516 13.44440 6.766972 
1 1 1    2    2   12 o  377.092   4.8674 21711.59  560.228 21931.20  810.970 21511.12  774.828  378.897   7.0124  375.263   6.7648 3.633362 9.743502 
1 1 1    2    2   13 o  581.020   8.0423 51596.16  1426.22 51638.63  1881.03 51538.73  2187.45  580.938   10.608  580.108   12.354 0.8300781 16.28379 
1 1 1    2    2   14 o  345.424   4.6628 18219.54  491.606 17923.62  596.782 18844.29  867.126  342.559   5.7077  351.098   8.0917 -8.538177 9.902170 
1 1 1    2    2   15 o  325.000   7.3974 16143.84  733.808 17575.84  1445.29 15646.48  851.760  338.453   13.991  319.861   8.7245 18.59280 16.48801 
1 1 1    2    2   16 o  768.088   11.603 90366.56  2720.08 86241.31  4874.48 92232.02  3277.91  747.071   21.377  775.370   13.851 -28.29871 25.47201 
1 1 1    2    2   17 o  259.373   3.3812 10269.85  267.680 10197.40  411.065 10323.19  352.713  258.405   5.2119  260.018   4.4443 -1.613464 6.849448 
1 1 1    2    2   18 o   95.244   2.9275  1384.67   85.104  1480.34  326.945  1377.72   88.143   97.722   11.162   95.004   3.0397 2.718452 11.56809 
1 1 1    2    2   19 o  249.110   3.7303  9472.99  283.632  8965.03  401.377  9979.64  400.857  242.303   5.4272  255.654   5.1371 -13.35135 7.472917 
1 1 1    2    2   20 o  711.418   9.2756 77347.52  2014.12 76712.69  3754.85 77603.98  2386.50  707.246   17.394  712.397   10.975 -5.150757 20.56743 
1 1 1    2    2   21 o  367.959   4.6059 20668.89  517.287 20503.52  667.729 20917.12  818.059  366.446   5.9700  370.079   7.2422 -3.632996 9.385672 
1 1 1    2    2   22 o  502.028   6.8536 38486.94  1050.18 38086.48  1485.00 38887.59  1485.34  499.251   9.7452  504.481   9.6464 -5.229706 13.71212 
1 1 1    2    2   23 o   49.629   2.9810  377.281   44.946  397.712   59.534  350.202   68.540   50.898   3.8609   47.658   4.7761 3.240376 6.141516 
1 1 1    2    2   24 o  605.787   7.1642 56040.04  1324.65 56028.31  1745.98 56055.95  2033.37  605.584   9.4460  605.616   11.000 -0.3216553E-01 14.49940 
1 1 1    2    2   25 o  770.382   9.9343 90682.30  2335.94 90670.19  2836.72 90707.82  4117.17  770.110   12.068  769.511   17.529 0.5986328 21.28202 
1 1 1    2    2   26 o  530.061   5.7960 42896.43  937.714 43161.36  1571.78 42750.02  1168.43  531.495   9.6889  529.094   7.2352 2.401489 12.09230 
1 1 1    2    2   27 o  233.380   3.8075  8313.73  271.220  8295.12  347.146  8342.87  434.528  233.105   4.8791  233.755   6.0903 -0.6497955 7.803729 
1 1 1    2    2   28 o  269.599   3.9288 11094.69  323.294 10937.63  468.663 11237.28  446.550  267.653   5.7368  271.302   5.3926 -3.648529 7.873481 
1 1 1    2    2   29 o  668.802   8.3296 68328.30  1700.36 69070.70  3068.47 67999.31  2042.66  671.704   14.967  667.045   10.033 4.658997 18.01836 
1 1 1    2    2   30 o  534.841   7.4043 43689.82  1208.72 45342.52  1904.92 42575.92  1563.87  544.563   11.461  527.829   9.7071 16.73395 15.01917 
1 1 1    2    2   31 o  762.544   8.2353 88829.49  1916.73 88683.22  2758.11 88966.13  2665.58  761.501   11.867  762.770   11.449 -1.269043 16.48947 
1 1 1    2    2   32 o  335.517   5.3778 17187.49  550.726 16697.88  697.741 17996.55  896.934  330.655   6.9136  343.205   8.5623 -12.54932 11.00501 
1 1 1    2    2   33 o  584.607   7.6458 52207.79  1364.29 52143.93  1929.67 52271.62  1929.11  583.965   10.826  584.681   10.810 -0.7163086 15.29908 
1 1 1    2    2   34 o  617.799   8.0924 58316.93  1525.96 56968.54  1807.92 61657.00  2845.44  610.457   9.7030  634.384   14.695 -23.92731 17.60970 
1 1 1    2    2   35 o  252.468   4.1570  9730.84  320.336  9926.19  398.229  9372.71  539.206  254.966   5.1172  247.694   7.1322 7.272049 8.778026 
1 1 1    2    2   36 o  478.814   6.5598 35023.46  958.687 35480.89  1107.03 33651.48  1917.21  481.853   7.5271  468.591   13.405 13.26215 15.37346 
1 1 1    2    2   37 o  421.920   5.6260 27191.57  724.511 27486.28  979.588 26835.68  1076.48  424.047   7.5685  418.918   8.4190 5.128845 11.32087 
1 1 1    2    2   38 o  555.446   7.6800 47177.68  1302.03 47964.13  2140.81 46716.00  1640.28  559.129   12.544  552.389   9.7287 6.739685 15.87480 
1 1 1    2    2   39 o  164.905   3.1028  4151.66  156.174  4006.67  251.651  4242.48  199.168  161.948   5.0910  166.680   3.9149 -4.732437 6.422226 
1 1 1    2    2   40 o  221.229   5.5518  7479.55  374.878  7957.96  753.637  7322.26  432.132  227.748   10.842  218.836   6.4697 8.912735 12.62517 
1 1 1    2    2   41 o  470.861   8.4458 33955.12  1213.81 34324.27  1716.19 33585.64  1716.97  472.595   11.898  467.445   12.034 5.150238 16.92258 
1 1 1    2    2   42 o  262.626   3.4199 10532.52  274.141 10583.48  441.911 10500.63  349.526  263.131   5.5023  262.177   4.3679 0.9541321 7.025214 
1 1 1    2    2   43 o  143.462   2.2826  3141.88   99.949  2912.20  156.280  3300.84  130.015  138.086   3.7080  147.033   2.8971 -8.947739 4.705559 
1 1 1    2    2   44 o  150.655   3.5904  3466.50  165.097  3230.53  243.397  3667.58  224.689  145.362   5.4859  154.918   4.7519 -9.556030 7.257772 
1 1 1    2    2   45 o  287.257   4.0199 12605.94  352.459 12708.98  625.059 12557.90  426.780  288.114   7.1079  286.639   4.8781 1.474152 8.620778 
1 1 1    2    2   46 o  345.295   3.9567 18214.72  417.003 18228.95  519.335 18188.89  699.625  345.330   4.9272  344.720   6.6494 0.6097107 8.275948 
1 1 1    2    2   47 o  483.131   5.7526 35704.15  848.296 35732.03  1102.15 35663.64  1328.70  482.937   7.4771  482.045   9.0308 0.8916016 11.72440 
1 1 1    2    2   48 o  234.936   3.5085  8430.80  251.585  8398.09  257.162  9160.58  1214.72  234.475   3.5933  242.115   16.536 -7.639542 16.92236 
1 1 1    2    2   49 o  116.435   2.5026  2069.90   88.937  2045.37  104.065  2136.34  171.286  115.732   2.9460  118.219   4.7470 -2.486259 5.586848 
1 1 1    2    2   50 o   70.869   2.4096  766.802   52.121  715.343   85.874  796.817   65.583   68.296   4.1391   72.234   2.9746 -3.938293 5.097079 
1 1 1    2    2   51 o  275.921   5.3542 11643.77  450.919 11140.30  636.750 12150.23  638.646  269.574   7.7388  281.577   7.4310 -12.00342 10.72886 
1 1 1    2    2   52 o   24.135   5.8643   92.704   42.774   6.5266   76.836  131.404   51.490   18.799   7.9004   28.764   6.0562 -9.964952 9.954580 
1 1 1    2    2   53 o  218.994   2.9765  7324.38  198.956  6908.67  311.587  7610.55  258.520  212.564   4.8026  223.180   3.7951 -10.61653 6.121045 
1 1 1    2    2   54 o  113.848   2.1754  1978.87   75.592  1934.25  105.518  2025.92  108.343  112.534   3.0721  115.169   3.0821 -2.635246 4.351664 
1 1 1    2    2   55 o  229.768   3.3923  8065.73  237.902  7771.32  287.855  8700.18  422.571  225.471   4.1828  238.381   5.8078 -12.90955 7.157253 
1 1 1    2    2   56 o  156.566   2.3746  3743.14  113.474  3794.77  163.220  3694.85  157.868  157.594   3.3933  155.508   3.3260 2.084976 4.751472 
1 1 1    2    2   57 o  152.566   3.7494  3557.96  174.595  3718.67  425.677  3525.46  191.439  155.118   9.0299  151.841   4.1307 3.277328 9.929851 
1 1 1    2    2   58 o   33.461   4.3969  174.225   43.819  170.656   62.932  177.585   61.050   32.782   6.5192   33.504   6.1983 -0.7222786 8.995485 
1 1 1    2    2   59 o  205.216   3.6518  6439.38  228.736  6393.45  280.486  6530.57  395.216  204.382   4.4963  206.278   6.2772 -1.896194 7.721342 
1 1 1    2    2   60 o  202.219   2.8627  6249.11  176.689  6470.58  229.179  5924.56  277.430  205.685   3.6505  196.686   4.6213 8.999008 5.889200 
1 1 1    2    2   61 o   80.812   2.7153  998.035   66.975  949.761   97.408  1041.32   92.236   78.660   4.0711   82.498   3.6630 -3.838226 5.476464 
1 1 1    2    2   62 o  169.181   3.4684  4379.68  179.101  4334.88  221.457  4464.39  304.507  168.191   4.3139  170.392   5.8551 -2.200455 7.272646 
1 1 1    2    2   63 o   93.687   3.3649  1343.35   96.222  1247.12  154.512  1404.31  122.979   89.861   5.6624   95.712   4.2097 -5.851334 7.055811 
1 1 1    2    2   64 o  114.960   3.0608  2022.26  107.398  1945.39  165.399  2078.29  141.218  112.533   4.8155  116.435   3.9737 -3.902443 6.243294 
1 1 1    2    3    0 o  343.446   9.7305 18054.21  1018.17 18054.21  1018.17 18054.21  1018.17  343.446   9.7305  343.446   9.7305 -0.000000 0.000000 
1 1 1    2    3    1 o  602.930   20.549 55744.23  3781.51 49321.89  6549.77 58955.39  4631.38  562.563   38.374  619.430   24.496 -56.86658 45.52627 
1 1 1    2    3    2 o  930.891   19.257 132808.91  5471.39 120877.90 14173.12 134898.30  5931.16  874.353   53.364  937.872   20.719 -63.51917 57.24488 
1 1 1    2    3    3 o  214.407   14.645  7065.72  952.676   0.0000   0.0000  7065.72  952.676  ?   ?   214.407   14.645 0.000000 14.64521 
1 1 1    2    3    4 o  223.261   6.8296  7611.17  465.396   0.0000   0.0000  7611.17  465.396  ?   ?   223.261   6.8296 0.000000 6.829565 
1 1 1    2    3    5 o  285.960   12.785 12504.52  1115.86 12641.78  1580.32 12368.04  1575.81  286.666   18.155  283.514   18.308 3.151886 25.78349 
1 1 1    2    3    6 o  660.073   15.677 66701.48  3158.52 64415.45  3423.54 79775.09  8187.17  648.443   17.298  715.617   37.615 -67.17395 41.40177 
1 1 1    2    3    7 o  303.471   5.3347 14060.05  494.129 15979.44  1048.80 13512.44  560.200  323.338   10.627  297.483   6.1697 25.85535 12.28826 
1 1 1    2    3    8 o  980.591   15.235 147231.50  4559.85 141666.59  7663.96 150280.80  5673.25  958.790   26.189  989.846   18.778 -31.05560 32.22506 
1 1 1    2    3    9 o  636.694   8.6029 61936.52  1671.83 63342.33  2671.38 61031.43  2143.48  643.326   13.605  631.782   11.116 11.54340 17.56829 
1 1 1    2    3   10 o  770.362   9.7443 90717.22  2291.19 95017.48  3316.95 86792.98  3168.61  787.761   13.795  752.897   13.788 34.86383 19.50458 
1 1 1    2    3   11 o  269.357   3.7359 11075.51  307.141 11403.78  377.151 10429.10  529.237  273.302   4.5212  261.300   6.6358 12.00177 8.029650 
1 1 1    2    3   12 o  468.018   5.8828 33454.19  840.355 33378.44  1216.66 33523.30  1162.10  467.288   8.5303  468.336   8.1296 -1.048004 11.78378 
1 1 1    2    3   13 o  565.667   8.3178 48918.00  1436.10 51486.01  1819.94 44680.27  2337.89  580.057   10.279  539.709   14.192 40.34796 17.52376 
1 1 1    2    3   14 o  316.601   4.4433 15305.40  429.376 16614.63  607.191 13995.84  607.268  329.790   6.0321  302.657   6.5737 27.13254 8.921925 
1 1 1    2    3   15 o  442.505   6.9566 29923.09  939.573 30740.75  1529.52 29427.54  1190.72  448.035   11.185  438.639   8.8938 9.395447 14.28976 
1 1 1    2    3   16 o  623.772   9.1158 59511.78  1735.54 58685.89  2773.20 60043.50  2225.17  618.335   14.694  626.115   11.644 -7.780029 18.74807 
1 1 1    2    3   17 o  245.736   3.3018  9218.00  247.652  9011.74  391.596  9355.49  319.704  242.921   5.2815  247.541   4.2314 -4.619247 6.767482 
1 1 1    2    3   18 o  321.261   5.1021 15759.44  500.294 16379.80  815.675 15385.32  633.435  327.384   8.1629  317.369   6.5391 10.01453 10.45910 
1 1 1    2    3   19 o  1036.94   26.749 166157.00  8465.97 172340.70 10930.22 156884.41 13384.58  1052.02   34.040  997.096   43.980 54.92029 55.61403 
1 1 1    2    3   20 o  192.523   2.6063  5657.14  153.153  6005.36  199.293  5154.87  239.348  198.354   3.2918  183.762   4.2673 14.59174 5.389459 
1 1 1    2    3   21 o  601.268   9.1533 55236.02  1679.81 55566.69  1996.40 54434.31  3108.56  602.925   10.848  596.038   17.087 6.886841 20.24003 
1 1 1    2    3   22 o  381.183   4.7561 22181.01  553.353 22681.00  714.399 21431.16  874.883  385.420   6.0728  374.598   7.6519 10.82190 9.768826 
1 1 1    2    3   23 o  629.013   9.3400 60447.03  1793.17 62272.32  2781.00 59148.13  2345.98  637.978   14.282  621.965   12.358 16.01245 18.88601 
1 1 1    2    3   24 o  612.822   8.1441 57359.68  1523.33 57625.75  2154.38 57093.64  2154.26  613.996   11.496  611.150   11.549 2.845825 16.29495 
1 1 1    2    3   25 o  491.803   5.3862 36925.36  808.523 37282.09  1124.42 36543.46  1163.42  494.092   7.4560  489.158   7.7924 4.934387 10.78485 
1 1 1    2    3   26 o  332.565   4.9701 16884.04  504.497 16683.64  646.540 17196.02  806.678  330.551   6.4083  335.544   7.8765 -4.992767 10.15407 
1 1 1    2    3   27 o  207.603   3.1478  6578.29  199.459  6373.03  241.441  7019.45  353.969  204.332   3.8713  214.425   5.4085 -10.09245 6.651200 
1 1 1    2    3   28 o  707.276   9.8763 76443.70  2132.06 76103.44  3407.17 76662.68  2733.34  704.967   15.835  707.988   12.649 -3.021301 20.26643 
1 1 1    2    3   29 o  778.940   9.8786 92724.12  2348.63 90446.91  3400.09 94802.24  3248.07  768.708   14.491  787.149   13.519 -18.44104 19.81845 
1 1 1    2    3   30 f  457.195   6.0592 31917.14  845.546 32018.93  1195.70 31815.32  1195.86  457.802   8.5571  456.342   8.5856 1.459503 12.12180 
1 1 1    2    3   31 o  297.552   4.2577 13515.48  386.685 13831.15  723.231 13389.12  457.581  300.906   7.8746  296.141   5.0624 4.765808 9.361449 
1 1 1    2    3   32 o  349.609   8.3017 18673.49  885.862 20033.41  2321.74 18441.78  958.364  360.420   21.198  347.397   9.0383 13.02237 23.04483 
1 1 1    2    3   33 o  421.036   5.5864 27067.99  717.909 26667.15  1015.47 27468.53  1015.08  417.793   7.9632  424.031   7.8431 -6.237915 11.17706 
1 1 1    2    3   34 o  511.961   8.8434 40058.28  1381.89 39732.82  1507.89 41765.16  3453.22  509.803   9.6906  520.854   21.722 -11.05133 23.78513 
1 1 1    2    3   35 o  583.649   9.9018 52093.33  1763.93 52043.72  1839.27 52662.00  6227.08  583.318   10.331  578.865   35.415 4.452759 36.89071 
1 1 1    2    3   36 o  615.006   8.8902 57835.18  1668.82 58552.09  2044.04 56402.05  2890.02  618.515   10.827  606.108   15.622 12.40729 19.00722 
1 1 1    2    3   37 o  203.464   3.0203  6319.46  187.564  6349.20  266.018  6290.07  264.499  203.915   4.2741  202.963   4.2696 0.9515839 6.041335 
1 1 1    2    3   38 o  428.683   4.6832 28066.99  612.766 28028.57  866.909 28105.36  866.254  428.222   6.6327  428.810   6.6186 -0.5876465 9.370028 
1 1 1    2    3   39 o  102.906   2.6958  1616.59   84.674  1563.41  107.576  1703.19  137.276  101.189   3.4831  105.603   4.2589 -4.413467 5.501851 
1 1 1    2    3   40 o  145.140   4.1728  3217.47  184.858  3106.27  406.108  3246.54  207.614  142.066   9.4190  145.780   4.6660 -3.713120 10.51133 
1 1 1    2    3   41 o  228.463   3.9337  7971.84  274.306  7803.01  346.318  8256.08  449.357  225.976   5.0211  232.356   6.3361 -6.380463 8.084372 
1 1 1    2    3   42 o  236.642   4.8840  8557.17  352.766  8550.39  521.477  8562.88  478.999  236.367   7.2282  236.593   6.6331 -0.2251740 9.810444 
1 1 1    2    3   43 o  324.006   6.0420 16054.75  597.518 16290.91  845.914 15819.59  844.124  326.045   8.5002  321.277   8.6081 4.768127 12.09769 
1 1 1    2    3   44 o  330.048   6.0539 16661.44  609.860 16232.97  2089.45 16701.35  637.625  321.004   21.449  330.409   6.3226 -9.405060 22.36161 
1 1 1    2    3   45 o  306.666   4.3191 14369.54  404.279 15310.11  756.477 13993.50  478.314  316.108   7.8405  302.547   5.1797 13.55997 9.396940 
1 1 1    2    3   46 o  383.844   4.6604 22518.25  546.004 23199.39  709.321 21527.79  855.353  389.423   5.9677  374.874   7.4755 14.54871 9.565399 
1 1 1    2    3   47 o  285.909   3.7192 12487.19  324.558 12825.34  413.764 11946.37  523.269  289.672   4.6798  279.416   6.1356 10.25671 7.716628 
1 1 1    2    3   48 o  405.153   6.0920 25117.96  753.352 24942.25  1169.94 25242.43  984.657  402.962   9.5122  405.776   7.9503 -2.813629 12.39716 
1 1 1    2    3   49 o  174.326   2.8223  4640.50  150.171  4697.86  271.227  4615.15  180.334  175.287   5.0695  173.827   3.3990 1.460403 6.103508 
1 1 1    2    3   50 o  186.311   3.2729  5301.60  186.118  4882.68  468.804  5379.98  202.783  178.381   8.6104  187.670   3.5401 -9.289215 9.309792 
1 1 1    2    3   51 o  271.356   4.4288 11254.14  366.810 11453.79  572.217 11114.87  477.919  273.469   6.8554  269.528   5.8094 3.941467 8.985915 
1 1 1    2    3   52 o  111.235   2.4007  1889.15   81.507  1786.29  125.603  1963.98  107.127  108.127   3.8058  113.399   3.0951 -5.272537 4.905490 
1 1 1    2    3   53 o  221.769   2.8041  7510.64  189.806  8007.84  272.912  7044.84  264.154  228.921   3.9059  214.707   4.0308 14.21431 5.612796 
1 1 1    2    3   54 f  188.487   2.9404  5426.11  169.160  5127.40  243.559  5704.47  235.122  183.141   4.3571  193.199   3.9872 -10.05797 5.906157 
1 1 1    2    3   55 o  252.101   4.9567  9722.36  381.403  9956.20  544.468  9497.06  534.442  254.813   7.0006  248.862   7.0360 5.950867 9.925385 
1 1 1    2    3   56 o  192.283   2.8698  5647.43  168.428  5921.44  220.303  5261.96  261.296  196.839   3.6668  185.477   4.6156 11.36174 5.894848 
1 1 1    2    3   57 o  271.195   4.2751 11248.06  353.872 11405.78  434.459 10937.19  609.969  272.947   5.2150  266.832   7.4895 6.115204 9.126262 
1 1 1    2    3   58 o   32.616   4.8106  166.312   46.452  127.200   64.284  209.053   67.199   28.254   7.3753   36.409   6.2734 -8.154972 9.682496 
1 1 1    2    3   59 o   74.187   3.7883  843.881   85.494  961.570  129.963  754.100  113.513   79.023   5.4211   69.944   5.3579 9.078773 7.622011 
1 1 1    2    3   60 o  102.391   4.1494  1604.60  129.677  1626.54  139.368  1463.17  353.938  103.067   4.4302   95.957   12.373 7.109978 13.14202 
1 1 1    2    3   61 o   71.463   2.8373  780.606   61.888  789.374   69.390  746.505  136.847   71.849   3.1641   69.350   6.5424 2.499771 7.267376 
1 1 1    2    3   62 o   73.841   2.6161  833.404   58.962  879.125   80.181  779.571   87.005   75.795   3.4659   71.229   4.0183 4.565887 5.306535 
1 1 1    2    3   63 o   68.992   2.7756  727.871   58.449  744.949   97.645  718.335   72.964   69.523   4.6280   68.410   3.5062 1.113358 5.806178 
1 1 1    2    3   64 o  104.946   2.9050  1684.93   93.054  1580.71  141.070  1765.19  123.809  101.467   4.5550  107.326   3.7795 -5.857979 5.918844 
1 1 1    2    4    0 o  146.800   8.1813  3320.71  363.973  3320.71  363.973  3320.71  363.973  146.800   8.1813  146.800   8.1813 0.000000 0.000000 
1 1 1    2    4    1 o  243.995   9.1317  9094.97  680.064 10340.93  1178.44  8472.84  832.716  259.520   14.940  235.428   11.588 24.09151 18.90771 
1 1 1    2    4    2 o  342.139   15.069 17915.59  1573.64   0.0000   0.0000 17915.59  1573.64  ?   ?   342.139   15.069 0.000000 15.06902 
1 1 1    2    4    3 o  581.081   15.748 51694.02  2793.10   0.0000   0.0000 51694.02  2793.10  ?   ?   581.081   15.748 0.000000 15.74829 
1 1 1    2    4    4 o  506.348   12.293 39205.82  1899.87 37213.21  4543.85 39627.98  2091.47  489.883   30.541  508.966   13.463 -19.08258 33.37664 
1 1 1    2    4    5 o  464.840   8.9896 33012.09  1275.44 30966.23  1803.70 35058.14  1803.79  449.923   13.134  478.794   12.343 -28.87057 18.02390 
1 1 1    2    4    6 o  411.493   9.2626 25872.80  1163.36 27659.76  2288.19 25249.88  1351.00  424.785   17.648  406.415   10.891 18.37027 20.73838 
1 1 1    2    4    7 f  218.755   5.4872  7306.38  366.373  9853.49  724.610  6431.59  424.652  253.930   9.3492  205.218   6.7796 48.71266 11.54856 
1 1 1    2    4    8 o  269.893   5.6420 11122.44  464.771 14257.50  1027.99 10316.96  521.068  305.346   11.030  259.913   6.5682 45.43347 12.83764 
1 1 1    2    4    9 o  167.278   4.4797  4271.95  228.719  4653.71  679.141  4223.11  242.909  173.888   12.888  166.315   4.7851 7.572586 13.74740 
1 1 1    2    4   10 o  624.402   12.470 59691.12  2376.49 57842.99  3360.74 61539.54  3361.00  613.607   17.944  633.036   17.395 -19.42938 24.99165 
1 1 1    2    4   11 f  607.126   9.5484 56371.10  1769.40 61114.68  2593.74 52242.02  2419.91  631.503   13.457  583.843   13.580 47.66003 19.11763 
1 1 1    2    4   12 o  202.436   4.4533  6257.22  275.158  7013.53  388.837  5498.60  389.428  214.278   5.9453  189.706   6.7256 24.57231 8.976622 
1 1 1    2    4   13 o   88.930   2.8997  1207.21   78.708  1263.57  110.635  1149.46  111.996   90.973   3.9844   86.766   4.2290 4.207420 5.810326 
1 1 1    2    4   14 o  336.965   7.8035 17357.68  802.583 19506.88  1579.87 16610.12  931.768  356.476   14.520  329.515   9.2644 26.96112 17.22403 
1 1 1    2    4   15 o  290.188   4.2364 12857.49  375.228 12741.93  544.636 12961.91  517.694  288.802   6.1786  291.301   5.8226 -2.499115 8.489818 
1 1 1    2    4   16 o  487.389   7.4272 36301.50  1104.88 35902.00  1445.41 36863.06  1713.70  484.460   9.7750  490.689   11.442 -6.229309 15.04909 
1 1 1    2    4   17 o  423.087   11.265 27392.59  1454.75 28335.83  2300.99 26764.52  1877.62  429.475   17.553  417.806   14.724 11.66913 22.91087 
1 1 1    2    4   18 o  363.808   4.8398 20207.92  537.423 19490.37  760.185 20924.88  759.877  357.207   6.9724  370.130   6.7262 -12.92361 9.687963 
1 1 1    2    4   19 f  105.543   1.8163  1700.09   58.511  1755.83   81.970  1642.19   83.547  107.257   2.5039  103.727   2.6389 3.529594 3.637714 
1 1 1    2    4   20 o  265.170   4.7838 10734.39  387.180 10624.35  419.031 11376.76  1012.44  263.800   5.2042  272.748   12.162 -8.948395 13.22830 
1 1 1    2    4   21 o  315.052   4.3954 15151.72  422.666 14992.58  483.785 15664.89  868.734  313.380   5.0578  320.216   8.8885 -6.836334 10.22675 
1 1 1    2    4   22 o  182.711   2.9322  5095.22  163.521  5255.94  186.981  4572.55  337.182  185.568   3.3013  173.051   6.3837 12.51640 7.186794 
1 1 1    2    4   23 o  461.310   6.7826 32495.14  955.002 33478.84  1527.04 31863.25  1223.88  468.045   10.689  456.716   8.7796 11.32901 13.83257 
1 1 1    2    4   24 o  829.759   9.8401 105197.90  2492.12 106046.60  3825.52 104572.20  3284.75  832.438   15.056  826.920   13.014 5.517029 19.90146 
1 1 1    2    4   25 o  215.961   3.0322  7118.50  199.872  7416.20  258.101  6672.53  315.903  220.423   3.8363  209.067   4.9505 11.35625 6.262990 
1 1 1    2    4   26 o  118.703   2.1486  2150.49   77.846  2164.27  100.456  2129.78  123.162  119.080   2.7639  118.125   3.4160 0.9556198 4.394110 
1 1 1    2    4   27 o  425.123   5.8166 27593.96  754.742 29674.97  1407.74 26754.50  894.104  440.639   10.467  418.565   6.9986 22.07449 12.59122 
1 1 1    2    4   28 o  168.677   2.7125  4342.52  139.652  4216.46  201.030  4460.10  194.147  166.201   3.9629  170.937   3.7211 -4.736679 5.436108 
1 1 1    2    4   29 o  273.986   3.4848 11458.29  291.427 11556.37  456.628 11390.89  378.546  275.122   5.4378  273.162   4.5403 1.959351 7.084018 
1 1 1    2    4   30 o  463.419   7.0287 32798.56  994.179 36113.67  2836.45 32334.26  1061.52  485.131   19.156  460.101   7.5589 25.02979 20.59317 
1 1 1    2    4   31 o  206.101   3.7738  6484.00  237.397  6289.15  410.479  6581.93  291.001  202.934   6.6270  207.641   4.5916 -4.706451 8.062289 
1 1 1    2    4   32 o  729.254   14.487 81438.45  3224.64 80992.31  3673.18 82937.84  6733.92  726.875   16.556  731.791   30.148 -4.916016 34.39531 
1 1 1    2    4   33 o  148.329   3.5597  3358.43  161.162  3398.97  244.247  3327.18  214.478  149.200   5.3634  147.624   4.7600 1.576157 7.171066 
1 1 1    2    4   34 o  741.085   10.413 83992.42  2355.28 84079.74  2505.84 83330.59  6898.80  741.368   11.074  732.172   30.870 9.196106 32.79665 
1 1 1    2    4   35 o  338.082   4.6565 17451.83  480.503 17822.48  563.552 16464.88  919.605  341.625   5.4047  328.154   9.1814 13.47064 10.65399 
1 1 1    2    4   36 o  435.287   5.2118 28936.88  692.441 28910.21  899.772 28975.62  1084.38  434.978   6.7772  435.351   8.1607 -0.3727112 10.60785 
1 1 1    2    4   37 o  481.294   6.0993 35393.17  896.004 36094.34  1267.38 34692.52  1266.91  485.762   8.5480  476.214   8.7162 9.548248 12.20819 
1 1 1    2    4   38 o  489.420   5.8693 36602.52  876.774 36817.15  1312.02 36429.32  1178.58  490.464   8.7643  488.004   7.9126 2.460571 11.80769 
1 1 1    2    4   39 f  132.262   2.8847  2670.61  116.453  2572.24  151.354  2813.35  182.311  129.785   3.8208  135.718   4.4011 -5.932587 5.828208 
1 1 1    2    4   40 o  258.752   3.7224 10224.55  293.984 10092.56  436.215 10334.40  397.930  256.971   5.5616  260.068   5.0131 -3.096771 7.487463 
1 1 1    2    4   41 o  307.816   5.3665 14481.57  504.194 14519.09  712.894 14444.03  713.182  307.986   7.5836  307.186   7.6065 0.7998962 10.74102 
1 1 1    2    4   42 o  285.543   7.6147 12483.01  663.656   0.0000   0.0000 12483.01  663.656  ?   ?   285.543   7.6147 0.000000 7.614734 
1 1 1    2    4   43 o   75.112   8.0058  873.957  180.714  1081.82  390.019  817.130  203.925   82.199   16.122   72.379   9.4569 9.819733 18.69057 
1 1 1    2    4   44 o  233.831   3.5822  8351.01  255.662  8716.54  362.637  7989.78  360.494  238.805   4.9752  228.619   5.1662 10.18591 7.172298 
1 1 1    2    4   45 o  194.497   3.8610  5778.82  229.207  5833.67  337.469  5731.84  312.289  195.308   5.6610  193.622   5.2843 1.685883 7.744077 
1 1 1    2    4   46 o  298.763   4.0167 13637.10  366.277 13505.89  506.951 13780.40  529.791  297.168   5.5892  300.150   5.7829 -2.982178 8.042462 
1 1 1    2    4   47 o  285.534   4.7060 12461.90  410.131 12458.23  423.332 12517.91  1655.19  285.477   4.8584  282.067   19.342 3.410248 19.94326 
1 1 1    2    4   48 o  187.262   2.9468  5354.99  168.430  5823.09  197.014  4083.68  324.675  195.259   3.3057  163.330   6.5128 31.92937 7.303710 
1 1 1    2    4   49 o  139.519   2.5530  2972.07  108.718  3065.49  199.992  2932.89  129.529  141.617   4.6268  138.581   3.0623 3.035904 5.548393 
1 1 1    2    4   50 o  259.815   5.6054 10325.96  444.514 10174.15  528.010 10695.35  823.656  257.768   6.7111  263.704   10.233 -5.936676 12.23756 
1 1 1    2    4   51 o   30.557   5.2424  146.826   47.134  114.543   77.507  165.771   59.375   27.361   8.4397   32.367   6.2363 -5.005501 10.49384 
1 1 1    2    4   52 o  161.353   3.7054  3977.61  182.486  3944.49  201.436  4129.23  430.960  160.660   4.1078  163.772   8.6521 -3.112823 9.577777 
1 1 1    2    4   53 f   68.771   2.3282  722.108   48.869  757.841   80.533  701.281   61.484   70.326   3.7655   67.762   2.9727 2.563255 4.797497 
1 1 1    2    4   54 o  216.301   3.0061  7146.02  198.465  7677.55  321.418  6818.49  252.308  224.067   4.6998  211.225   3.9135 12.84201 6.115841 
1 1 1    2    4   55 o   38.287   4.2154  226.813   48.446  208.188   66.878  247.377   70.272   36.355   6.2524   39.753   5.9765 -3.397930 8.649304 
1 1 1    2    4   56 o   82.569   2.9821  1041.47   75.156  1036.39   77.677  1115.85  297.426   82.365   3.0898   84.065   11.926 -1.699661 12.31983 
1 1 1    2    4   57 o  299.113   3.7330 13676.82  340.813 13679.15  443.469 13673.46  532.661  298.965   4.8599  298.714   5.8422 0.2505493 7.599351 
1 1 1    2    4   58 o  168.969   4.0737  4366.87  210.093  4366.87  210.093   0.0000   0.0000  168.969   4.0737  ?   ?  0.000000 4.073675 
1 1 1    2    4   59 f  142.550   3.2270  3106.04  140.403  3160.72  164.238  2957.59  270.612  143.760   3.7430  138.781   6.3885 4.978149 7.404238 
1 1 1    2    4   60 o  130.110   3.3871  2588.68  134.510  2643.69  140.836  2017.32  453.882  131.476   3.5096  112.476   13.490 18.99973 13.93925 
1 1 1    2    4   61 o   47.077   5.3001  344.377   74.833  355.175  108.344  334.526  103.482   47.358   7.7645   45.955   7.6463 1.403618 10.89741 
1 1 1    2    4   62 o  158.451   3.4664  3842.31  167.645  3738.07  243.870  3935.71  230.839  156.028   5.1208  160.173   4.7217 -4.144775 6.965457 
1 1 1    2    4   63 o   92.377   2.8621  1305.16   80.698  1309.89  131.133  1302.27  102.380   92.261   4.6719   92.213   3.6375 0.4785156E-01 5.920976 
1 1 1    2    4   64 o   99.285   2.1617  1506.46   65.509  1562.96   92.405  1449.37   92.885  101.065   2.9956   97.311   3.1273 3.753510 4.330498 
1 1 1    2    5    0 o  144.948   11.717  3271.80  510.578  3271.80  510.578  3271.80  510.578  144.948   11.717  144.948   11.717 0.000000 0.000000 
1 1 1    2    5    1 o  363.776   22.511 20417.81  2487.16   0.0000   0.0000 20417.81  2487.16  ?   ?   363.776   22.511 0.000000 22.51078 
1 1 1    2    5    2 o  406.675   17.394 25350.38  2159.01 25062.85  3053.36 25637.90  3053.25  402.678   24.966  407.348   24.674 -4.670074 35.10113 
1 1 1    2    5    3 o  114.673   3.3069  2007.15  115.744  2224.05  163.437  1788.91  163.939  120.702   4.4363  108.249   4.9618 12.45382 6.655848 
1 1 1    2    5    4 o  942.652   38.958 138759.50 11208.83 119406.80 15851.34 158113.80 15852.01  858.739   60.871  996.006   52.327 -137.2674 80.27111 
1 1 1    2    5    5 o  448.164   27.294 31132.55  3715.78 31132.55  3715.78   0.0000   0.0000  448.164   27.294  ?   ?  0.000000 27.29421 
1 1 1    2    5    6 o  562.420   15.318 48468.48  2629.62 44466.92  2894.82 67355.20  6289.05  538.355   17.617  658.821   31.275 -120.4667 35.89574 
1 1 1    2    5    7 o  226.227   4.5922  7813.54  317.093  7778.17  471.156  7842.82  428.718  225.660   6.8406  226.614   6.1982 -0.9536896 9.231003 
1 1 1    2    5    8 o  299.109   5.0244 13660.66  458.700 12953.09  570.730 14951.57  770.892  291.211   6.4210  312.794   8.0745 -21.58224 10.31640 
1 1 1    2    5    9 o  107.132   2.5614  1751.81   83.756  1730.10  104.467  1790.89  140.138  106.461   3.2149  108.306   4.2392 -1.844780 5.320421 
1 1 1    2    5   10 o  242.092   3.4254  8946.93  253.107  8664.07  349.671  9258.25  366.842  238.201   4.8095  246.231   4.8811 -8.030243 6.852473 
1 1 1    2    5   11 o  592.167   12.649 53742.80  2286.18 58391.17  4491.43 52117.31  2656.00  613.884   23.971  582.657   14.935 31.22687 28.24260 
1 1 1    2    5   12 o  454.755   7.2995 31607.02  1013.19 36409.69  1754.99 29206.07  1240.86  487.505   11.794  436.941   9.3043 50.56451 15.02261 
1 1 1    2    5   13 o  291.658   4.8504 12990.29  431.789 13728.11  773.308 12656.05  520.482  299.627   8.4558  287.835   5.9244 11.79181 10.32469 
1 1 1    2    5   14 o  343.049   5.4027 17973.74  565.702 17212.57  980.154 18353.94  692.723  335.427   9.5737  346.595   6.5482 -11.16830 11.59890 
1 1 1    2    5   15 o  384.927   6.7316 22637.19  790.885 22164.06  1165.96 23040.40  1076.37  380.628   10.036  388.165   9.0850 -7.537292 13.53741 
1 1 1    2    5   16 o  299.058   4.4156 13654.64  403.057 12883.67  663.171 14106.24  507.558  290.379   7.4825  303.929   5.4714 -13.55045 9.269472 
1 1 1    2    5   17 o  350.610   9.6213 18792.69  1029.61 19270.37  1330.52 18079.64  1625.60  354.845   12.285  343.420   15.509 11.42505 19.78456 
1 1 1    2    5   18 o  624.490   11.129 59635.44  2121.31 60458.74  2254.61 53284.18  6262.13  628.714   11.749  584.049   35.294 44.66516 37.19817 
1 1 1    2    5   19 o  400.476   5.6696 24487.33  693.018 22812.57  872.885 27343.13  1139.84  386.476   7.3998  423.046   8.8275 -36.56973 11.51876 
1 1 1    2    5   20 o  741.944   11.384 84155.52  2578.09 81400.77  3525.66 87321.21  3779.49  729.109   15.843  755.068   16.399 -25.95898 22.80213 
1 1 1    2    5   21 o  119.396   2.6562  2175.73   96.799  2156.52  101.914  2352.83  309.416  118.867   2.8090  123.839   8.2328 -4.972527 8.698833 
1 1 1    2    5   22 o  585.667   6.7457 52375.95  1205.85 51909.47  1803.94 52752.76  1621.32  582.847   10.140  587.638   9.0394 -4.791687 13.58442 
1 1 1    2    5   23 o  536.950   5.7338 44018.05  939.710 45574.87  1328.98 42461.38  1328.92  546.260   7.9708  527.256   8.2577 19.00427 11.47709 
1 1 1    2    5   24 o  1014.11   12.889 157273.91  3989.49 158781.59  5775.90 155898.30  5516.98  1017.82   18.592  1008.69   17.919 9.130005 25.82199 
1 1 1    2    5   25 o  175.352   3.7986  4693.39  203.306  4705.32  221.742  4630.46  509.258  175.571   4.1379  173.818   9.6367 1.753525 10.48756 
1 1 1    2    5   26 o  260.078   3.8399 10324.75  304.817 10788.44  431.366  9862.30  430.788  265.830   5.3165  254.160   5.5532 11.67053 7.687818 
1 1 1    2    5   27 o  587.872   10.484 52821.18  1881.18 60593.71  6371.32 52078.89  1968.95  624.440   33.552  583.677   11.052 40.76294 35.32527 
1 1 1    2    5   28 o  602.704   7.8211 55484.73  1438.76 54860.41  2749.28 55720.20  1688.43  598.601   15.047  603.884   9.1603 -5.282898 17.61643 
1 1 1    2    5   29 o  913.836   13.326 127778.40  3716.87 135343.00  6878.28 124658.40  4417.37  937.747   24.031  902.081   16.044 35.66522 28.89463 
1 1 1    2    5   30 o  143.741   4.6420  3154.21  203.659  3862.99  624.797  3069.95  215.424  158.361   13.042  141.805   4.9772 16.55621 13.95972 
1 1 1    2    5   31 o  281.031   4.5274 12056.99  388.344 11999.36  414.056 12478.28  1119.49  280.353   4.8388  285.571   12.844 -5.218323 13.72491 
1 1 1    2    5   32 o  198.376   7.3423  6011.23  444.566  6292.26  632.151  5736.24  625.329  202.613   10.255  193.397   10.634 9.216385 14.77373 
1 1 1    2    5   33 o  444.463   5.9998 30168.19  813.931 30527.72  964.307 29277.46  1517.82  447.046   7.0672  437.475   11.367 9.571564 13.38492 
1 1 1    2    5   34 o  410.717   4.8865 25756.53  612.567 25990.59  712.906 25096.12  1197.47  412.544   5.6617  405.123   9.6842 7.420715 11.21774 
1 1 1    2    5   35 o  239.544   3.8401  8760.15  280.764  8963.14  353.363  8412.57  462.389  242.279   4.7785  234.666   6.4556 7.612839 8.031755 
1 1 1    2    5   36 o  282.188   3.6323 12157.14  312.850 12384.30  406.307 11826.33  490.313  284.777   4.6745  278.241   5.7734 6.535492 7.428542 
1 1 1    2    5   37 o  243.038   2.9865  9017.12  221.543  8938.37  308.091  9101.44  318.803  241.939   4.1721  244.132   4.2784 -2.193146 5.975886 
1 1 1    2    5   38 o  121.541   2.3075  2254.91   85.603  2276.93  111.400  2223.15  133.768  122.125   2.9886  120.663   3.6321 1.461456 4.703602 
1 1 1    2    5   39 o  226.189   4.4699  7814.94  308.593  7845.09  420.203  7779.64  454.664  226.537   6.0772  225.555   6.6042 0.9813690 8.974837 
1 1 1    2    5   40 o  402.842   5.8172 24807.95  715.267 24960.92  1239.01 24731.50  875.972  403.405   10.063  402.050   7.1383 1.355316 12.33753 
1 1 1    2    5   41 o  393.725   6.9492 23718.71  835.117 22969.50  1353.74 24178.99  1061.08  386.599   11.473  397.227   8.7517 -10.62793 14.42949 
1 1 1    2    5   42 o  576.633   7.5796 50910.07  1334.03 52237.43  2550.13 50409.98  1565.29  581.650   14.364  573.427   8.9433 8.223022 16.92084 
1 1 1    2    5   43 o  300.579   3.8760 13800.64  355.599 14077.57  468.649 13424.83  545.937  303.483   5.0594  296.267   6.0373 7.216309 7.876937 
1 1 1    2    5   44 o  213.847   3.0183  6983.08  197.010  7046.32  254.730  6888.96  310.785  214.772   3.8858  212.307   4.7960 2.465271 6.172623 
1 1 1    2    5   45 o   99.219   2.3404  1502.93   70.877  1427.69   99.202  1581.39  101.302   96.685   3.3616  101.758   3.2616 -5.073441 4.683839 
1 1 1    2    5   46 o  430.743   5.3516 28372.30  703.592 28386.92  908.086 28350.35  1112.93  430.567   6.9099  429.927   8.4812 0.6400452 10.93969 
1 1 1    2    5   47 o  135.097   2.6426  2786.74  108.967  2847.15  151.812  2722.54  156.501  136.523   3.6432  133.495   3.8409 3.027985 5.293934 
1 1 1    2    5   48 o  350.702   4.0555 18792.60  434.113 18396.25  613.331 19190.51  614.528  346.767   5.7948  354.190   5.6844 -7.423096 8.117441 
1 1 1    2    5   49 o  283.475   3.3486 12273.69  289.733 12212.58  402.599 12339.34  417.284  282.658   4.6665  284.107   4.8121 -1.448761 6.703182 
1 1 1    2    5   50 o  193.073   2.5381  5691.67  149.572  5342.16  207.089  6072.82  216.263  187.003   3.6282  199.386   3.5536 -12.38264 5.078582 
1 1 1    2    5   51 o  121.807   2.3052  2265.24   85.703  1972.64  130.059  2489.80  113.938  113.629   3.7500  127.686   2.9235 -14.05651 4.754960 
1 1 1    2    5   52 o  181.913   2.7076  5053.31  150.337  5056.76  238.582  5051.03  193.610  181.891   4.2974  181.836   3.4884 0.5595398E-01 5.535078 
1 1 1    2    5   53 o  244.475   4.1255  9134.91  307.843  8926.97  1311.49  9147.03  316.691  237.786   18.209  244.627   4.2415 -6.840469 18.69602 
1 1 1    2    5   54 o  147.503   3.1512  3323.49  141.869  3619.64  507.547  3298.39  147.758  152.763   10.958  146.938   3.2946 5.824722 11.44268 
1 1 1    2    5   55 f  140.321   2.1124  3006.28   90.472  3029.91  119.853  2974.99  137.938  140.847   2.7879  139.545   3.2386 1.301834 4.273276 
1 1 1    2    5   56 f  154.828   3.5790  3663.63  169.131  3664.95  180.891  3654.46  476.863  154.840   3.8275  153.514   10.236 1.326050 10.92812 
1 1 1    2    5   57 o  130.356   2.6305  2595.51  104.660  2604.67  108.924  2485.34  377.746  130.581   2.7329  126.480   9.8630 4.101517 10.23463 
1 1 1    2    5   58 o  105.058   2.6531  1686.06   85.075  1666.95  100.393  1734.75  160.240  104.440   3.1493  106.436   4.9325 -1.995712 5.852149 
1 1 1    2    5   59 o   37.509   3.5933  217.120   40.635  238.980   53.523  187.376   62.432   39.247   4.5527   34.423   6.1687 4.823193 7.666771 
1 1 1    2    5   60 o   19.871   6.6647   56.975   47.656   57.519   48.130   29.735  340.348   19.966   6.6978   38.690   16.461 -18.72411 17.77119 
1 1 1    2    5   61 o   55.747   2.3659  474.829   40.256  453.144   57.463  495.728   56.411   54.310   3.4849   56.836   3.2655 -2.526211 4.775782 
1 1 1    2    5   62 o  143.719   3.1962  3160.06  140.206  3220.55  175.854  3054.50  232.284  144.990   3.9737  140.974   5.3984 4.015610 6.703194 
1 1 1    2    5   63 o  118.261   3.5395  2141.74  127.761  2008.41  429.491  2154.69  133.819  111.574   12.846  118.599   3.6967 -7.024803 13.36757 
1 1 1    2    5   64 o  168.439   2.9197  4341.22  150.108  4710.02  222.249  4031.87  203.550  175.213   4.1558  162.118   4.1136 13.09496 5.847430 
1 1 1    2    6    0 o  231.754   10.614  8256.31  747.199  8256.31  747.199  8256.31  747.199  231.754   10.614  231.754   10.614 0.000000 0.000000 
1 1 1    2    6    1 f  423.948   14.715 27535.89  1904.14 28357.47  3298.20 27125.14  2332.05  427.871   25.368  420.347   18.177 7.524139 31.20787 
1 1 1    2    6    2 o  510.728   21.490 40146.86  3349.94 41188.99  4737.89 39105.04  4737.17  514.320   30.315  500.822   31.144 13.49799 43.46209 
1 1 1    2    6    3 o  606.910   25.191 56893.64  4666.39 61206.46  6599.88 52582.41  6598.67  625.242   34.720  578.112   37.601 47.13000 51.17918 
1 1 1    2    6    4 o  861.827   36.127 116313.50  9503.13 110473.00 13439.33 122154.10 13439.59  825.949   53.600  871.219   50.761 -45.27063 73.82108 
1 1 1    2    6    5 o  527.528   14.125 42648.11  2274.24 40027.06  2503.50 55024.81  5440.17  510.747   16.059  594.097   30.099 -83.34927 34.11558 
1 1 1    2    6    6 o  456.667   11.094 31913.57  1546.34 29387.04  3700.86 32447.96  1702.04  434.161   28.078  460.353   12.113 -26.19220 30.57951 
1 1 1    2    6    7 o  532.109   12.769 43378.24  2073.77 41378.11  2474.25 48100.84  3801.93  519.199   15.613  558.110   22.319 -38.91107 27.23775 
1 1 1    2    6    8 o  312.930   7.3564 14965.09  702.638 15296.79  837.617 14177.39  1290.77  316.294   8.6764  304.044   13.909 12.24927 16.39324 
1 1 1    2    6    9 o  448.877   11.590 30860.70  1587.88 30259.75  1747.73 33702.50  3800.59  444.296   12.888  464.705   26.910 -20.40826 29.83732 
1 1 1    2    6   10 o   92.774   3.9151  1314.09  110.863  1338.52  120.622  1181.15  281.358   93.629   4.2208   87.173   10.806 6.455940 11.60119 
1 1 1    2    6   11 o  531.953   13.900 43418.63  2256.86 41919.80  2484.28 50498.73  5399.39  522.330   15.583  566.704   31.337 -44.37390 34.99775 
1 1 1    2    6   12 o  459.984   7.0211 32334.12  985.748 34750.09  1657.54 31012.09  1226.14  476.332   11.401  450.295   8.9212 26.03693 14.47646 
1 1 1    2    6   13 o  180.016   3.5829  4947.12  196.863  4822.85  230.225  5285.12  379.692  177.729   4.2440  185.989   6.6885 -8.259521 7.921332 
1 1 1    2    6   14 o  173.972   2.9849  4619.92  158.496  4498.81  326.198  4657.35  181.342  171.617   6.2274  174.670   3.4014 -3.052444 7.095750 
1 1 1    2    6   15 o  794.729   13.041 96725.27  3163.35 98775.94  4304.31 94316.83  4664.69  801.969   17.584  783.085   19.516 18.88348 26.26970 
1 1 1    2    6   16 o  246.449   6.0264  9275.14  453.316  9123.37  485.600 10304.09  1264.36  244.411   6.5094  258.754   16.089 -14.34319 17.35569 
1 1 1    2    6   17 o  535.856   6.8107 43853.10  1113.92 42625.07  1307.31 47107.29  2128.12  528.219   8.1086  554.895   12.565 -26.67572 14.95439 
1 1 1    2    6   18 o   66.286   1.9609  670.578   39.672  581.914   50.829  808.788   63.461   61.747   2.6970   72.794   2.8562 -11.04782 3.928308 
1 1 1    2    6   19 o  492.432   5.7358 37022.95  862.100 37161.82  1141.98 36838.95  1314.53  493.274   7.5850  491.062   8.7704 2.211243 11.59532 
1 1 1    2    6   20 o  288.459   8.2404 12709.62  725.525 12346.79  935.461 13257.33  1149.35  284.224   10.783  294.430   12.789 -10.20532 16.72865 
1 1 1    2    6   21 o  421.451   6.3503 27120.54  816.877 30916.52  1373.32 25042.12  1016.19  449.814   10.003  404.911   8.2224 44.90210 12.94851 
1 1 1    2    6   22 o  440.352   5.1585 29602.55  693.329 30405.45  1037.42 28954.47  932.050  446.197   7.6175  435.444   7.0128 10.75290 10.35398 
1 1 1    2    6   23 o  157.736   2.6303  3797.40  126.636  3825.01  154.612  3741.11  220.732  158.305   3.1999  156.548   4.6196 1.756851 5.619561 
1 1 1    2    6   24 o  269.941   3.7720 11122.59  310.787 10965.53  372.867 11480.04  562.503  268.017   4.5580  274.190   6.7213 -6.172760 8.121065 
1 1 1    2    6   25 o  387.313   6.7733 22907.42  800.719 23691.51  2003.28 22758.33  873.534  393.280   16.689  386.027   7.4139 7.252045 18.26137 
1 1 1    2    6   26 o  744.891   11.535 84832.82  2622.51 90121.77  4700.20 82441.97  3160.15  766.341   20.095  733.988   14.106 32.35297 24.55132 
1 1 1    2    6   27 o  421.725   7.2800 27162.64  937.088 29495.19  2346.46 26720.03  1022.14  438.671   17.525  418.242   8.0069 20.42868 19.26747 
1 1 1    2    6   28 o  788.291   14.455 95123.56  3477.82 99874.38 11236.49 94620.23  3657.42  795.236   46.496  786.068   15.244 9.168457 48.93083 
1 1 1    2    6   29 o  260.125   5.2398 10330.73  416.021 10720.49  619.044 10009.72  561.798  264.924   7.6557  256.004   7.1898 8.919373 10.50249 
1 1 1    2    6   30 o  599.658   9.8371 54961.21  1800.48 59642.26  3815.53 53620.27  2042.15  623.176   20.060  592.154   11.299 31.02228 23.02304 
1 1 1    2    6   31 o  502.140   6.6961 38509.00  1026.28 38465.51  1052.99 39333.71  4585.32  501.847   6.8745  503.060   29.999 -1.213135 30.77699 
1 1 1    2    6   32 o  612.733   10.194 57404.23  1906.47 56842.02  2080.86 60342.84  4757.36  609.609   11.183  625.313   24.926 -15.70367 27.31978 
1 1 1    2    6   33 o  450.650   5.8460 31014.34  804.106 30601.27  965.688 31948.32  1452.09  447.568   7.0690  457.047   10.409 -9.478455 12.58259 
1 1 1    2    6   34 o  335.435   4.4611 17179.20  456.740 17066.24  632.109 17302.61  660.694  334.260   6.1957  336.556   6.4317 -2.295319 8.930484 
1 1 1    2    6   35 o  277.698   3.8257 11773.52  324.265 11775.38  448.799 11771.48  469.030  277.670   5.2955  277.614   5.5353 0.5584717E-01 7.660401 
1 1 1    2    6   36 o  292.908   4.1227 13100.51  368.578 13171.39  432.219 12911.56  705.672  293.670   4.8220  290.571   7.9567 3.098877 9.303817 
1 1 1    2    6   37 o  320.719   4.0082 15707.23  392.366 16450.40  587.916 15110.38  526.870  328.104   5.8707  314.482   5.4890 13.62137 8.036997 
1 1 1    2    6   38 o  169.199   3.3178  4371.09  171.342  4423.68  306.526  4347.20  206.639  170.125   5.9031  168.717   4.0127 1.408218 7.137840 
1 1 1    2    6   39 o  211.352   2.9464  6819.93  190.070  6934.26  250.144  6663.75  292.367  213.084   3.8461  208.855   4.5863 4.229126 5.985571 
1 1 1    2    6   40 o  360.950   6.5418 19927.21  720.710   0.0000   0.0000 19927.21  720.710  ?   ?   360.950   6.5418 0.000000 6.541780 
1 1 1    2    6   41 o  116.457   2.8586  2070.69  101.610  2115.71  190.469  2052.78  120.132  117.651   5.3041  115.941   3.3947 1.709641 6.297425 
1 1 1    2    6   42 o   75.714   2.2595  875.131   52.216  837.385  115.963  884.730   58.479   73.836   5.1784   76.126   2.5168 -2.289970 5.757612 
1 1 1    2    6   43 o  357.230   4.3568 19498.33  475.047 19719.42  711.536 19320.52  638.085  358.990   6.4938  355.425   5.8818 3.565704 8.761576 
1 1 1    2    6   44 o  109.949   3.9858  1846.83  133.760  1811.08  147.572  2011.40  316.658  108.866   4.4411  114.126   9.1679 -5.259743 10.18693 
1 1 1    2    6   45 o  150.642   3.1723  3465.60  145.862  3392.60  178.746  3611.11  252.351  149.019   3.9299  153.672   5.3801 -4.652893 6.662566 
1 1 1    2    6   46 o  249.395   6.0989  9517.25  464.258  9270.84  533.111 10290.62  944.469  246.030   7.0992  258.357   11.977 -12.32680 13.92299 
1 1 1    2    6   47 o  255.134   4.2188  9946.89  328.531  9860.25  407.658 10107.41  554.903  253.930   5.2598  256.883   7.0772 -2.953506 8.817732 
1 1 1    2    6   48 o  275.827   3.9616 11624.20  333.523 11696.29  390.545 11429.96  641.040  276.623   4.6256  273.076   7.6910 3.547150 8.974860 
1 1 1    2    6   49 o  181.783   3.7498  5048.38  208.058  4916.71  229.128  5667.14  496.704  179.374   4.1851  192.189   8.4675 -12.81473 9.445234 
1 1 1    2    6   50 o  242.734   2.9985  8998.02  222.151  8910.87  277.337  9154.04  371.088  241.508   3.7624  244.682   4.9689 -3.174255 6.232588 
1 1 1    2    6   51 o  333.956   5.2208 17057.42  532.161 16816.53  662.021 17497.32  894.628  331.383   6.5452  337.586   8.6824 -6.202667 10.87312 
1 1 1    2    6   52 o  190.210   4.1710  5529.60  242.151   0.0000   0.0000  5529.60  242.151  ?   ?   190.210   4.1710 0.000000 4.170958 
1 1 1    2    6   53 o   17.668   6.8594   29.663   52.963 -17.2528  502.287   30.190   53.260   45.924   19.777   17.750   6.8821 28.17422 20.94024 
1 1 1    2    6   54 o  175.144   3.1316  4685.92  167.408  4673.05  270.007  4693.96  213.368  174.768   5.0617  175.242   3.9891 -0.4737854 6.444660 
1 1 1    2    6   55 o  229.955   3.2567  8079.14  228.581  8469.52  324.377  7694.08  322.159  235.323   4.5162  224.271   4.7063 11.05209 6.522655 
1 1 1    2    6   56 o  121.264   3.3738  2247.14  124.873  2100.70  163.624  2451.39  193.242  117.181   4.5748  126.554   5.0027 -9.373322 6.779110 
1 1 1    2    6   57 o  307.850   4.7747 14506.29  448.647 14587.25  462.957 13257.00  1818.55  308.681   4.9138  285.998   20.979 22.68320 21.54677 
1 1 1    2    6   58 o  107.451   3.3406  1764.89  109.561  1750.07  149.159  1782.25  161.455  106.923   4.5705  107.876   4.9035 -0.9534531 6.703286 
1 1 1    2    6   59 o  128.327   2.7329  2516.33  107.042  2616.61  123.653  2216.49  213.815  130.836   3.0964  120.173   5.8292 10.66294 6.600597 
1 1 1    2    6   60 o  128.242   2.6627  2513.28  104.224  2487.42  122.159  2582.48  199.809  127.546   3.1379  129.765   5.0447 -2.219063 5.941026 
1 1 1    2    6   61 o  199.182   2.7211  6064.63  165.428  5951.29  284.944  6122.25  203.175  196.980   4.7394  200.043   3.3276 -3.062958 5.790883 
1 1 1    2    6   62 o   87.340   3.3788  1167.56   90.074  982.802  424.123  1176.28   92.176   75.611   18.524   87.660   3.4451 -12.04992 18.84128 
1 1 1    2    6   63 o  156.904   4.4521  3778.57  213.213   0.0000   0.0000  3778.57  213.213  ?   ?   156.904   4.4521 0.000000 4.452082 
1 1 1    2    7    0 o  814.382   49.454 105223.90 12188.95 105223.90 12188.95 105223.90 12188.95  814.382   49.454  814.382   49.454 0.000000 0.000000 
1 1 1    2    7    1 o   47.392   10.885  357.521  154.141  357.521  154.141   0.0000   0.0000   47.392   10.885  ?   ?  0.000000 10.88529 
1 1 1    2    7    2 o  285.923   12.699 12525.80  1108.26 13969.39  1568.09 11085.06  1566.54  300.984   17.140  267.609   19.309 33.37537 25.81857 
1 1 1    2    7    3 f  303.998   13.368 14166.44  1240.38 15405.44  1755.32 12930.72  1753.00  315.888   18.284  288.975   19.998 26.91342 27.09637 
1 1 1    2    7    4 o  412.591   17.382 26182.71  2188.99 28796.34  3096.93 23573.26  3094.46  430.653   23.651  388.733   26.234 41.92020 35.32144 
1 1 1    2    7    5 o  572.926   35.008 51900.59  6092.39   0.0000   0.0000 51900.59  6092.39  ?   ?   572.926   35.008 0.000000 35.00754 
1 1 1    2    7    6 o  458.082   12.615 32163.08  1763.84   0.0000   0.0000 32163.08  1763.84  ?   ?   458.082   12.615 0.000000 12.61532 
1 1 1    2    7    7 o  496.059   13.595 37747.33  2058.46 37747.33  2058.46   0.0000   0.0000  496.059   13.595  ?   ?  0.000000 13.59540 
1 1 1    2    7    8 o  347.325   9.1356 18453.42  968.478 18162.35  1065.61 19835.22  2321.80  344.482   10.135  357.612   21.369 -13.13019 23.65068 
1 1 1    2    7    9 o  394.949   9.7632 23868.32  1176.92 24201.68  1295.17 22288.63  2819.37  397.595   10.673  378.241   24.554 19.35434 26.77315 
1 1 1    2    7   10 o  775.196   13.689 92175.85  3238.99 90671.99  4580.73 93679.57  4580.52  766.820   19.572  779.564   19.251 -12.74463 27.45237 
1 1 1    2    7   11 o  213.965   4.6581  6990.58  304.207  6629.05  334.371  8727.50  732.906  208.343   5.2581  238.833   10.054 -30.48984 11.34591 
1 1 1    2    7   12 o  312.248   8.0011 14901.57  762.544 14751.93  826.425 15758.75  1977.98  310.633   8.7164  319.167   20.411 -8.534119 22.19438 
1 1 1    2    7   13 o  348.463   12.193 18589.85  1296.84 19646.69  1590.00 16489.65  2241.42  357.992   14.551  326.169   22.655 31.82288 26.92580 
1 1 1    2    7   14 f  618.778   14.792 58674.62  2793.69 57402.66  3028.13 65948.03  7241.14  611.779   16.217  648.174   36.753 -36.39435 40.17144 
1 1 1    2    7   15 o  443.548   7.7518 30054.04  1049.45 30027.79  1098.44 30328.81  3553.88  443.333   8.1176  442.465   26.436 0.8679199 27.65437 
1 1 1    2    7   16 o  348.767   4.7008 18569.46  500.405 18538.42  690.925 18603.71  725.717  348.423   6.4969  349.025   6.8123 -0.6021423 9.413675 
1 1 1    2    7   17 o  207.600   2.6954  6577.88  170.790  6967.92  267.698  6310.15  221.794  213.652   4.1051  203.324   3.5739 10.32860 5.442843 
1 1 1    2    7   18 o  701.775   9.4543 75247.69  2025.08 69658.85  2620.71 83530.26  3190.37  674.889   12.722  738.851   14.147 -63.96210 19.02632 
1 1 1    2    7   19 o  329.991   5.9420 16625.93  598.483 17875.15  1223.21 16232.76  686.229  341.943   11.720  326.041   6.8957 15.90225 13.59825 
1 1 1    2    7   20 o  387.856   5.5118 22966.33  652.505 22938.09  1394.76 22974.24  738.278  387.356   11.797  387.902   6.2356 -0.5460510 13.34361 
1 1 1    2    7   21 o  404.427   5.8414 24971.88  721.071 23749.38  908.361 27054.70  1185.66  394.348   7.5468  420.822   9.2309 -26.47427 11.92325 
1 1 1    2    7   22 o  751.307   13.522 86341.65  3100.86 90814.60  5076.45 83679.38  3916.41  769.149   21.624  739.084   17.361 30.06519 27.73080 
1 1 1    2    7   23 o  390.710   6.7269 23310.46  802.204 22748.59  900.508 25470.64  1765.70  385.940   7.6445  408.002   14.179 -22.06192 16.10827 
1 1 1    2    7   24 o  443.437   6.3639 30025.13  861.329 30026.45  1377.06 30024.28  1103.93  443.260   10.178  443.353   8.1578 -0.9347534E-01 13.04414 
1 1 1    2    7   25 o  815.280   10.630 101595.80  2645.30 108195.40  5429.27 99541.46  3029.18  839.405   21.191  806.782   12.301 32.62311 24.50273 
1 1 1    2    7   26 o  681.795   8.8284 71019.20  1837.18 82831.68  3770.90 67342.70  2103.74  735.249   16.803  663.772   10.384 71.47693 19.75278 
1 1 1    2    7   27 o  442.361   18.667 30016.37  2520.38 32136.42  3568.75 27906.73  3559.98  455.965   25.748  424.379   27.635 31.58621 37.77085 
1 1 1    2    7   28 f  182.588   5.4341  5090.12  302.842  4088.43  777.018  5269.54  328.847  162.602   15.858  185.773   5.7996 -23.17088 16.88535 
1 1 1    2    7   29 o  385.641   6.2239 22710.08  732.593 22529.44  897.121 23071.64  1269.22  384.045   7.6534  388.467   10.705 -4.422852 13.15904 
1 1 1    2    7   30 o  217.727   3.3606  7235.88  223.329  7230.44  228.653  7348.62  1041.04  217.644   3.4420  218.431   15.720 -0.7875824 16.09235 
1 1 1    2    7   31 o  295.174   6.3588 13306.25  572.892 12971.43  642.221 14610.73  1267.63  291.406   7.2205  308.919   13.444 -17.51291 15.26039 
1 1 1    2    7   32 o  161.501   2.2838  3980.90  112.576  3847.30  140.745  4218.18  187.567  158.763   2.9045  166.230   3.6968 -7.467728 4.701325 
1 1 1    2    7   33 o  558.396   6.0286 47623.50  1027.48 48886.57  1673.55 46859.38  1301.69  565.391   9.6978  553.757   7.7014 11.63361 12.38384 
1 1 1    2    7   34 o  381.990   4.6433 22280.97  541.369 22536.44  703.616 21910.31  847.538  384.101   6.0017  378.640   7.3336 5.460785 9.476363 
1 1 1    2    7   35 o  326.454   3.7831 16271.37  376.956 16107.98  524.488 16445.94  542.141  324.742   5.2915  328.125   5.4132 -3.382385 7.569878 
1 1 1    2    7   36 o  180.927   2.9485  4997.27  162.826  5027.50  190.814  4916.31  312.295  181.463   3.4451  179.378   5.7040 2.085251 6.663663 
1 1 1    2    7   37 o  383.423   8.1050 22497.94  948.529 24391.72  1993.26 21943.55  1078.47  397.535   16.427  378.499   9.3352 19.03604 18.89467 
1 1 1    2    7   38 o  401.100   6.0232 24594.28  737.390 24704.44  944.422 24422.25  1180.20  401.780   7.7012  399.155   9.6872 2.624878 12.37541 
1 1 1    2    7   39 o  476.621   8.1772 34786.63  1189.58 37600.39  4212.87 34542.84  1240.04  485.644   28.547  474.872   8.5554 10.77170 29.80122 
1 1 1    2    7   40 o  229.635   4.6230  8056.92  324.025   0.0000   0.0000  8056.92  324.025  ?   ?   229.635   4.6230 0.000000 4.622992 
1 1 1    2    7   41 o  209.613   4.4104  6712.89  282.170  7093.07  1015.94  6681.11  293.726  213.519   15.699  209.105   4.6021 4.413528 16.35962 
1 1 1    2    7   42 o  241.744   3.0997  8923.89  228.717  9056.22  302.332  8746.80  349.730  243.478   4.0682  239.236   4.7895 4.242325 6.284096 
1 1 1    2    7   43 o  370.992   4.8471 21036.60  548.865 21212.40  759.414 20844.34  794.177  372.284   6.6832  368.980   7.0518 3.304108 9.715603 
1 1 1    2    7   44 o  382.668   5.8391 22399.36  682.006 22278.70  848.586 22619.46  1146.15  381.389   7.2897  383.742   9.7856 -2.352264 12.20235 
1 1 1    2    7   45 f  166.613   5.3460  4245.05  271.868  4292.95  297.631  4003.78  668.031  167.519   5.8210  160.332   13.785 7.187531 14.96353 
1 1 1    2    7   46 o   83.026   4.4740  1056.58  112.959  986.034  484.783  1060.63  116.157   77.801   20.227   83.176   4.5932 -5.375107 20.74183 
1 1 1    2    7   47 o  287.334   4.6829 12620.16  410.699 12974.13  670.209 12407.31  519.712  290.961   7.5467  284.756   5.9796 6.204803 9.628542 
1 1 1    2    7   48 o  199.822   3.1173  6098.04  190.124  5827.65  260.591  6405.78  278.005  195.274   4.3722  204.726   4.4490 -9.451859 6.237758 
1 1 1    2    7   49 o  132.946   2.3697  2698.50   96.159  2577.22  125.526  2870.76  149.599  129.902   3.1659  137.086   3.5753 -7.184097 4.775569 
1 1 1    2    7   50 o  160.353   3.2936  3927.46  161.199  3914.75  165.910  4141.92  681.325  160.089   3.3954  162.962   13.828 -2.873337 14.23906 
1 1 1    2    7   51 o  274.004   4.0332 11473.25  337.306 10569.33  673.805 11775.51  389.643  262.400   8.4131  277.534   4.5997 -15.13495 9.588385 
1 1 1    2    7   52 o  217.367   3.8337  7219.99  254.347   0.0000   0.0000  7219.99  254.347  ?   ?   217.367   3.8337 0.000000 3.833669 
1 1 1    2    7   53 o  102.145   2.3921  1593.14   74.578  1524.67  163.168  1611.22   83.849   99.672   5.3834  102.716   2.6745 -3.043526 6.011172 
1 1 1    2    7   54 o  170.175   2.9366  4423.45  152.531  4306.41  213.197  4546.19  218.316  167.834   4.1618  172.444   4.1478 -4.610153 5.875820 
1 1 1    2    7   55 o   54.271   3.9115  452.584   64.358  515.165   97.454  404.182   85.706   57.731   5.6011   51.072   5.5893 6.658382 7.912828 
1 1 1    2    7   56 o  148.841   3.1168  3384.95  141.596  3412.63  175.223  3332.86  240.374  149.402   3.8426  147.520   5.3385 1.881226 6.577578 
1 1 1    2    7   57 o  200.156   3.2642  6122.96  199.419  6176.55  274.632  6063.19  290.039  200.900   4.4787  199.011   4.7749 1.889664 6.546643 
1 1 1    2    7   58 o  117.810   2.8170  2120.73  101.294  2220.62  136.579  1998.60  151.010  120.497   3.7135  114.271   4.3296 6.226364 5.704044 
1 1 1    2    7   59 o   85.582   3.0752  1119.65   80.329  1083.04   89.727  1267.43  180.293   84.151   3.4934   90.551   6.5680 -6.400467 7.439252 
1 1 1    2    7   60 o  126.909   4.2250  2467.02  163.658  2421.74  333.578  2481.37  187.816  124.673   8.8231  127.205   4.8374 -2.531425 10.06217 
1 1 1    2    7   61 o   36.198   10.785  208.495  128.081  239.352  183.939  179.451  178.454   39.551   13.089   35.975   12.852 3.575623 18.34358 
1 1 1    2    7   62 o  205.536   4.7051  6485.60  295.173   0.0000   0.0000  6485.60  295.173  ?   ?   205.536   4.7051 0.000000 4.705140 
1 1 1    2    7   63 o   81.732   6.8758  1040.99  169.935   0.0000   0.0000  1040.99  169.935  ?   ?    81.732   6.8758 0.000000 6.875813 
1 1 1    2    8    0 o   78.067   10.557  981.138  238.596  981.138  238.596  981.138  238.596   78.067   10.557   78.067   10.557 0.000000 0.000000 
1 1 1    2    8    1 o  199.883   14.095  6161.50  854.425  6161.50  854.425   0.0000   0.0000  199.883   14.095  ?   ?  0.000000 14.09523 
1 1 1    2    8    2 o  980.846   26.599 149759.30  7963.19 149759.30  7963.19   0.0000   0.0000  980.846   26.599  ?   ?  0.000000 26.59922 
1 1 1    2    8    4 o  303.493   19.416 14262.24  1789.11 14262.24  1789.11   0.0000   0.0000  303.493   19.416  ?   ?  0.000000 19.41570 
1 1 1    2    8    5 o  338.819   9.6089 17564.76  993.701 17564.76  993.701   0.0000   0.0000  338.819   9.6089  ?   ?  0.000000 9.608853 
1 1 1    2    8    6 o  481.581   29.528 36375.25  4319.40 36375.25  4319.40   0.0000   0.0000  481.581   29.528  ?   ?  0.000000 29.52832 
1 1 1    2    8    7 o  465.134   19.375 33349.30  2750.63 37296.08  3891.75 29409.71  3888.21  489.232   26.157  432.998   29.598 56.23392 39.49955 
1 1 1    2    8    8 o  312.672   7.1755 14939.46  684.793 15554.82  816.070 13474.85  1258.99  318.971   8.3822  296.416   13.916 22.55518 16.24524 
1 1 1    2    8    9 o  214.954   4.6997  7055.15  308.344  6885.46  435.686  7225.44  436.444  212.294   6.7239  217.477   6.5750 -5.183136 9.404324 
1 1 1    2    8   10 o  375.621   23.333 21872.87  2661.87   0.0000   0.0000 21872.87  2661.87  ?   ?   375.621   23.333 0.000000 23.33319 
1 1 1    2    8   11 o  250.400   11.603  9594.79  886.756  8206.68  1253.43 10985.73  1254.70  230.458   17.961  267.215   15.450 -36.75690 23.69162 
1 1 1    2    8   12 o  363.488   12.928 20225.69  1434.25 18287.25  1756.66 24101.73  2484.02  345.280   16.669  395.324   20.658 -50.04321 26.54447 
1 1 1    2    8   13 o  124.046   3.3253  2348.71  125.900  2416.82  172.186  2270.46  184.555  125.822   4.4836  121.948   4.9583 3.874023 6.684869 
1 1 1    2    8   14 o  324.667   5.8439 16094.86  579.102 16946.13  788.540 15098.18  853.229  333.078   7.7564  314.348   8.8928 18.72949 11.80014 
1 1 1    2    8   15 o  485.835   14.380 36127.00  2132.32 36561.98  3017.78 35693.29  3013.33  488.052   20.258  482.190   20.474 5.862518 28.80284 
1 1 1    2    8   16 o  265.726   5.8920 10781.00  477.879 10553.68  588.995 11218.92  817.494  262.876   7.3408  270.955   9.8849 -8.078766 12.31251 
1 1 1    2    8   17 o  330.512   5.2160 16676.88  526.187 16689.65  634.415 16648.74  941.896  330.612   6.2869  330.104   9.3483 0.5077820 11.26573 
1 1 1    2    8   18 o  596.833   10.797 54441.49  1966.82 55865.68  2657.50 52716.56  2924.65  604.244   14.409  586.749   16.331 17.49500 21.77891 
1 1 1    2    8   19 o  1335.11   24.871 274123.19 10135.00 267988.31 11546.96 294707.09 21151.01  1318.42   28.694  1367.99   50.656 -49.57166 58.21862 
1 1 1    2    8   20 o  209.999   3.5709  6731.17  228.882  6432.65  366.712  6921.67  292.947  205.262   5.8533  212.940   4.5073 -7.677734 7.387598 
1 1 1    2    8   21 o  207.480   3.5072  6570.65  222.101  6440.12  341.591  6666.26  292.328  205.386   5.4490  208.973   4.5832 -3.586441 7.120191 
1 1 1    2    8   22 o  270.780   4.2229 11192.34  349.016 11115.89  380.869 11592.89  871.807  269.847   4.6242  275.420   10.371 -5.573273 11.35494 
1 1 1    2    8   23 o  570.281   9.7481 49696.20  1696.78 49867.86  2502.73 49550.18  2308.25  570.837   14.364  569.130   13.288 1.706970 19.56786 
1 1 1    2    8   24 o   59.159   4.0842  536.781   73.296  630.201  273.341  529.543   76.082   62.918   14.527   58.743   4.2727 4.174770 15.14273 
1 1 1    2    8   25 o  824.615   16.394 104174.80  4126.23 123197.10 12184.56 101710.80  4385.35  884.490   45.285  814.558   17.639 69.93195 48.59932 
1 1 1    2    8   26 o  399.265   8.9186 24356.82  1086.87 23609.63  2001.64 24669.22  1294.29  392.514   16.708  401.722   10.556 -9.208557 19.76276 
1 1 1    2    8   27 o   42.067   5.0811  274.114   63.920  328.055  184.550  266.762   68.137   45.668   12.751   41.433   5.5256 4.235004 13.89720 
1 1 1    2    8   28 o  717.540   16.443 78910.27  3601.11 82396.59  6606.35 77436.45  4295.37  729.722   29.661  710.123   19.818 19.59985 35.67231 
1 1 1    2    8   29 o  270.833   3.8802 11196.93  320.753 11753.20  444.481 10592.46  463.333  277.450   5.2487  263.381   5.7636 14.06888 7.795348 
1 1 1    2    8   30 o  316.871   6.2156 15333.79  601.149 14843.40  660.474 17701.54  1451.28  311.736   6.9415  339.982   13.986 -28.24628 15.61343 
1 1 1    2    8   31 o  322.373   4.7052 15866.90  462.969 15219.53  655.318 16511.98  654.156  315.654   6.8018  328.796   6.5184 -13.14175 9.420911 
1 1 1    2    8   32 o  105.621   2.0511  1702.65   66.123  1803.32  109.796  1645.36   82.828  108.690   3.3096  103.826   2.6137 4.864716 4.217228 
1 1 1    2    8   33 o  528.432   5.7681 42651.52  930.329 43771.89  1515.14 41973.46  1178.69  534.967   9.2791  524.074   7.3687 10.89258 11.84906 
1 1 1    2    8   34 o  162.987   2.7987  4055.07  139.227  3990.10  162.902  4231.12  268.167  161.669   3.3013  166.438   5.2788 -4.768570 6.226102 
1 1 1    2    8   35 o  365.253   4.4921 20374.43  500.790 21019.52  637.939 19338.53  808.403  370.914   5.6349  355.624   7.4477 15.29022 9.339177 
1 1 1    2    8   36 o  152.748   2.6700  3561.75  124.481  3469.30  174.619  3657.28  177.501  150.730   3.7956  154.760   3.7577 -4.030548 5.341043 
1 1 1    2    8   37 o  443.088   6.2355 30015.72  843.290 28576.30  1386.79 30860.26  1062.25  431.616   10.527  449.058   7.7501 -17.44244 13.07202 
1 1 1    2    8   38 o  251.870   3.3232  9686.83  255.473 10461.82  412.856  9205.95  325.214  261.648   5.1697  245.490   4.3403 16.15776 6.750090 
1 1 1    2    8   39 o   69.944   2.4846  746.851   53.042   0.0000   0.0000  746.851   53.042  ?   ?    69.944   2.4846 0.000000 2.484563 
1 1 1    2    8   40 o   78.936   3.1655  951.449   76.266  1136.74  258.092  933.722   79.831   85.474   10.087   78.195   3.3449 7.279694 10.62735 
1 1 1    2    8   41 o  318.219   3.9877 15468.83  387.316 15964.41  580.412 15070.99  520.043  323.093   5.8856  313.971   5.4267 9.121582 8.005562 
1 1 1    2    8   42 o  141.820   2.9531  3071.17  127.830  3018.99  134.973  3525.37  398.222  140.605   3.1451  151.382   8.6545 -10.77698 9.208228 
1 1 1    2    8   43 o  134.168   3.1975  2749.05  130.939  2770.51  140.699  2610.31  357.800  134.684   3.4226  130.113   9.0662 4.570450 9.690728 
1 1 1    2    8   44 o  363.314   5.5131 20187.26  611.356 20720.73  1028.35 19895.64  760.306  367.393   9.1705  360.461   6.9105 6.931671 11.48273 
1 1 1    2    8   45 o  307.041   4.2297 14405.91  396.387 14937.93  560.646 13874.15  560.505  312.471   5.8784  301.111   6.0987 11.36023 8.470534 
1 1 1    2    8   46 o  274.927   4.2151 11550.25  353.708 11728.61  465.534 11306.69  544.024  276.914   5.5080  271.761   6.5587 5.153076 8.564666 
1 1 1    2    8   47 o  134.148   2.7481  2747.88  112.521  2795.55  155.312  2695.22  163.240  135.273   3.7616  132.813   4.0269 2.460068 5.510508 
1 1 1    2    8   48 o  252.780   4.1302  9764.09  318.664  9553.51  394.706 10158.28  540.038  249.947   5.1738  257.539   6.8701 -7.591324 8.600383 
1 1 1    2    8   49 o  338.727   8.5773 17610.31  886.781 17040.20  1248.51 18190.75  1259.76  332.197   12.313  343.323   12.022 -11.12552 17.20880 
1 1 1    2    8   50 o  250.195   3.6700  9563.54  280.261  9614.77  416.089  9520.99  379.177  250.700   5.4377  249.523   4.9787 1.177292 7.372629 
1 1 1    2    8   51 o   96.736   3.5102  1429.63  103.641   0.0000   0.0000  1429.63  103.641  ?   ?    96.736   3.5102 0.000000 3.510155 
1 1 1    2    8   52 o  192.094   3.8375  5638.98  224.999  5618.44  338.429  5655.25  301.206  191.579   5.7877  192.268   5.1326 -0.6895142 7.735676 
1 1 1    2    8   53 o  106.503   2.5064  1732.13   81.476  1823.22  105.690  1598.70  127.912  109.247   3.1696  102.266   4.0979 6.981567 5.180689 
1 1 1    2    8   54 o   99.574   2.3111  1514.02   70.239  1424.49  102.113  1594.43   96.769   96.551   3.4650  102.161   3.1034 -5.610016 4.651598 
1 1 1    2    8   55 o  153.397   3.2301  3595.48  151.233  3687.22  187.275  3423.49  256.411  155.294   3.9510  149.497   5.6194 5.797607 6.869345 
1 1 1    2    8   56 o  104.763   3.1495  1677.15  100.709  1621.87  129.020  1763.35  161.118  102.976   4.1049  107.322   4.9186 -4.346107 6.406455 
1 1 1    2    8   57 o   63.601   5.2539  624.014  101.078  652.374  143.127  595.797  142.767   64.714   7.3780   61.739   7.7467 2.974319 10.69798 
1 1 1    2    8   58 o  184.129   2.5542  5179.73  143.544  5319.73  175.372  4895.51  249.867  186.555   3.0799  178.791   4.5787 7.764343 5.518210 
1 1 1    2    8   59 o  133.180   3.0553  2711.71  124.198  2772.48  150.236  2580.54  220.731  134.611   3.6566  129.647   5.5781 4.964249 6.669745 
1 1 1    2    8   60 o   92.888   2.0310  1317.96   57.581  1329.90   88.328  1309.14   75.934   93.250   3.1033   92.544   2.6883 0.7059555 4.105781 
1 1 1    2    8   61 o   71.483   6.3083  793.638  136.225  750.393  167.150  879.175  235.080   69.104   8.0772   74.134   10.699 -5.030388 13.40538 
1 1 1    2    8   62 o   56.183   4.5183  487.618   76.826   0.0000   0.0000  487.618   76.826  ?   ?    56.183   4.5183 0.000000 4.518289 
1 1 1    2    9    0 o  591.372   35.894 54798.21  6424.21 54798.21  6424.21 54798.21  6424.21  591.372   35.894  591.372   35.894 -0.000000 0.000000 
1 1 1    2    9    1 o  520.558   31.777 42558.92  5024.77 42558.92  5024.77   0.0000   0.0000  520.558   31.777  ?   ?  0.000000 31.77715 
1 1 1    2    9    2 o  385.261   23.876 23060.31  2793.72 23060.31  2793.72   0.0000   0.0000  385.261   23.876  ?   ?  0.000000 23.87566 
1 1 1    2    9    3 o  231.204   15.619  8243.83  1095.72  8243.83  1095.72   0.0000   0.0000  231.204   15.619  ?   ?  0.000000 15.61856 
1 1 1    2    9    4 o  602.671   36.738 57419.47  6725.65 57419.47  6725.65   0.0000   0.0000  602.671   36.738  ?   ?  0.000000 36.73803 
1 1 1    2    9    5 o  518.939   22.055 41561.28  3493.36 40742.66  4943.47 42377.84  4937.25  509.773   31.933  520.235   31.238 -10.46158 44.67119 
1 1 1    2    9    6 o  209.837   5.9889  6725.09  383.574  6689.79  421.139  6896.92  929.102  209.268   6.5933  211.607   14.472 -2.338318 15.90326 
1 1 1    2    9    7 o  290.480   7.7000 12893.29  682.691 12839.91  750.839 13147.95  1639.99  289.839   8.4874  291.890   18.504 -2.050842 20.35735 
1 1 1    2    9    8 f  203.067   14.290  6349.42  880.027   0.0000   0.0000  6349.42  880.027  ?   ?   203.067   14.290 0.000000 14.28950 
1 1 1    2    9    9 o  153.028   12.462  3607.51  576.997   0.0000   0.0000  3607.51  576.997  ?   ?   153.028   12.462 0.000000 12.46159 
1 1 1    2    9   10 o   19.018   6.3945   51.474   43.872   0.0000   0.0000   51.474   43.872  ?   ?    19.018   6.3945 0.000000 6.394511 
1 1 1    2    9   11 o  102.956   6.2658  1624.66  195.962  1427.58  332.305  1729.73  242.642   95.925   11.584  106.148   7.5382 -10.22347 13.82113 
1 1 1    2    9   12 o  373.720   6.6397 21328.58  757.374 20884.74  1071.16 21772.31  1071.02  369.686   9.4930  377.470   9.2960 -7.784058 13.28657 
1 1 1    2    9   13 o  228.050   5.6168  7940.33  390.961  7686.42  453.066  8680.72  773.665  224.355   6.6162  238.310   10.636 -13.95464 12.52625 
1 1 1    2    9   14 o  299.358   5.7678 13682.42  527.010 13588.42  551.544 14669.03  1786.85  298.321   6.0573  308.703   19.057 -10.38138 19.99675 
1 1 1    2    9   15 o   83.684   3.3420  1068.91   85.362  1123.52   91.149  679.323  243.441   85.795   3.4807   65.549   12.626 20.24595 13.09672 
1 1 1    2    9   16 o  650.517   14.290 64748.18  2837.40 64021.07  3041.35 69630.60  7881.08  646.718   15.408  668.053   38.818 -21.33453 41.76410 
1 1 1    2    9   17 o  617.079   9.2462 58174.51  1741.49 58054.04  2166.96 58394.23  2926.40  616.257   11.521  617.643   15.523 -1.385254 19.33107 
1 1 1    2    9   18 o  769.677   10.820 90540.29  2541.79 83728.55  3942.00 95387.75  3325.41  739.286   17.470  789.649   13.797 -50.36340 22.26116 
1 1 1    2    9   19 o  539.357   8.4066 44435.56  1383.93 44924.83  1721.94 43542.93  2325.84  542.189   10.405  533.460   14.284 8.728821 17.67234 
1 1 1    2    9   20 o  285.128   5.2638 12411.47  458.097 12226.47  499.483 13391.11  1149.38  282.984   5.7828  295.908   12.726 -12.92343 13.97819 
1 1 1    2    9   21 o  442.729   6.8244 29931.83  922.186 31146.80  1502.65 29197.75  1168.01  451.406   10.906  437.178   8.7533 14.22794 13.98448 
1 1 1    2    9   22 o  423.984   5.6306 27445.82  728.658 27716.56  1083.57 27222.32  984.500  425.960   8.3343  422.177   7.6402 3.782654 11.30634 
1 1 1    2    9   23 o  326.280   5.1223 16252.81  510.122 16146.82  942.131 16296.78  606.761  325.067   9.4956  326.696   6.0850 -1.628937 11.27798 
1 1 1    2    9   24 o  202.812   3.5789  6278.47  221.545  5750.59  874.149  6314.71  229.022  193.230   14.938  203.395   3.6891 -10.16495 15.38638 
1 1 1    2    9   25 o  101.560   6.0420  1580.53  186.446  1568.89  264.965  1591.95  262.402  100.963   8.6828  101.722   8.5303 -0.7591248 12.17197 
1 1 1    2    9   26 o  739.268   12.886 83619.46  2907.51 72412.83  3927.64 97206.31  4324.67  686.968   18.732  796.141   17.797 -109.1735 25.83815 
1 1 1    2    9   27 o  320.250   5.3908 15659.10  526.940 15502.37  570.384 16571.97  1376.56  318.629   5.8650  329.033   13.707 -10.40381 14.90891 
1 1 1    2    9   28 o  127.502   3.1657  2481.40  123.199  2274.70  261.631  2540.30  139.651  121.831   7.0662  129.004   3.5467 -7.173164 7.906334 
1 1 1    2    9   29 o  353.373   6.2269 19070.31  671.614 18497.40  761.167 21084.32  1427.15  347.985   7.1664  371.162   12.598 -23.17731 14.49340 
1 1 1    2    9   30 o  350.609   5.6222 18771.75  601.656 18260.27  983.553 19077.60  760.554  345.611   9.3238  353.391   7.0511 -7.779938 11.68982 
1 1 1    2    9   31 o  232.671   3.9095  8264.54  277.639  8412.69  470.767  8185.53  343.792  234.674   6.5724  231.534   4.8648 3.139847 8.176939 
1 1 1    2    9   32 o  382.119   8.5388 22325.40  995.888 22923.42  2091.69 22150.10  1132.49  386.002   17.754  380.507   9.7511 5.494843 20.25540 
1 1 1    2    9   33 o  580.193   11.786 51588.95  2087.16 50908.51  2216.90 56897.27  6191.98  576.180   12.606  599.328   33.989 -23.14813 36.25138 
1 1 1    2    9   34 f  125.259   2.8792  2395.16  110.079  2424.20  133.278  2332.83  195.255  126.008   3.4653  123.578   5.1766 2.429764 6.229405 
1 1 1    2    9   35 o  130.769   3.2454  2610.88  129.534  2848.22  182.015  2367.31  184.386  136.560   4.3668  124.487   4.8527 12.07293 6.528268 
1 1 1    2    9   36 o  264.285   4.0668 10667.51  328.051 10775.86  541.084 10604.53  412.515  265.452   6.6782  263.444   5.1302 2.007935 8.421264 
1 1 1    2    9   37 o   74.869   3.1843  855.880   72.767  775.399  110.029  918.443   97.011   71.051   5.1077   77.434   4.1194 -6.383705 6.561893 
1 1 1    2    9   38 o  300.349   5.0502 13785.88  462.966   0.0000   0.0000 13785.88  462.966  ?   ?   300.349   5.0502 0.000000 5.050158 
1 1 1    2    9   39 o  104.940   2.3764  1681.16   76.116  1583.77  154.081  1712.60   87.544  101.800   4.9589  105.912   2.7081 -4.111626 5.650153 
1 1 1    2    9   40 o  233.747   3.4795  8344.45  248.245  8490.84  351.565  8198.88  350.579  235.705   4.8867  231.612   4.9591 4.092789 6.962286 
1 1 1    2    9   41 o  271.091   4.4473 11229.59  367.981 11434.51  575.447 11087.82  478.634  273.312   6.8981  269.253   5.8241 4.058411 9.027928 
1 1 1    2    9   42 o  162.117   2.2958  4012.34  113.601  4162.91  141.690  3741.38  190.081  165.116   2.8115  156.492   3.9795 8.624329 4.872446 
1 1 1    2    9   43 o  550.200   6.8844 46351.77  1156.11 47666.89  1389.08 43387.22  2085.56  557.577   8.1622  530.123   12.889 27.45337 15.25629 
1 1 1    2    9   44 o  166.797   3.5124  4249.63  178.817  4300.11  248.508  4195.42  257.503  167.717   4.8545  165.648   5.0931 2.068420 7.036028 
1 1 1    2    9   45 o  214.775   2.8391  7043.89  186.112  6868.45  284.889  7174.50  245.816  211.995   4.4028  216.711   3.7163 -4.716278 5.761604 
1 1 1    2    9   46 o  136.974   2.5925  2864.72  108.386  2925.32  126.210  2694.46  211.547  138.404   2.9876  132.739   5.2215 5.664719 6.015779 
1 1 1    2    9   47 o  207.101   3.4429  6551.50  217.632  6510.66  228.778  6940.19  705.837  206.444   3.6307  212.017   10.945 -5.573166 11.53111 
1 1 1    2    9   48 o  159.544   3.1846  3887.67  155.077  3743.00  180.988  4287.22  300.776  156.522   3.7884  167.383   5.8873 -10.86140 7.000869 
1 1 1    2    9   49 o  194.135   3.5875  5757.62  212.576  5822.18  658.541  5750.11  224.599  194.038   11.166  193.996   3.7931 0.4150391E-01 11.79313 
1 1 1    2    9   50 o  396.818   6.2375 24110.10  755.478 23813.98  1351.76 24244.61  911.044  392.915   11.272  397.631   7.5066 -4.716034 13.54237 
1 1 1    2    9   51 o  225.248   4.3624  7756.26  299.917  6902.84  1045.51  7832.79  313.074  209.529   16.481  226.341   4.5318 -16.81224 17.09285 
1 1 1    2    9   52 o  132.513   4.6945  2685.54  189.873  2682.34  209.960  2699.93  444.845  132.403   5.1954  131.762   11.166 0.6405182 12.31568 
1 1 1    2    9   53 f  155.153   3.1369  3677.50  148.553  3661.87  155.040  3852.68  519.004  154.815   3.2811  157.556   10.859 -2.740921 11.34358 
1 1 1    2    9   54 o  186.121   4.0155  5296.37  228.111  5297.17  245.243  5291.27  621.226  186.108   4.3173  184.592   11.077 1.515656 11.88886 
1 1 1    2    9   55 o  189.336   3.5039  5479.34  202.492  5721.56  253.181  5049.34  337.328  193.401   4.2890  181.471   6.0901 11.93002 7.448839 
1 1 1    2    9   56 o  239.196   3.9750  8751.09  290.207  8967.32  347.241  8250.19  528.505  242.026   4.7006  231.598   7.4765 10.42844 8.831368 
1 1 1    2    9   57 o  142.863   2.5094  3117.91  109.421  3253.95  141.356  2914.52  172.839  145.903   3.1742  138.009   4.1031 7.893433 5.187598 
1 1 1    2    9   58 o   98.459   2.6064  1481.27   78.327  1423.05  107.303  1547.68  114.598   96.447   3.6451  100.576   3.7330 -4.129013 5.217480 
1 1 1    2    9   59 o   61.303   2.5919  574.327   48.498  575.691   72.229  573.208   65.444   61.199   3.8869   61.105   3.5239 0.9384155E-01 5.246515 
1 1 1    2    9   60 o   92.331   2.4490  1302.90   69.015  1293.41  179.402  1304.55   74.769   91.377   6.4743   92.378   2.6518 -1.001137 6.996365 
1 1 1    2    9   61 o   44.287   3.9629  302.975   53.002  353.094   93.566  279.293   64.316   47.369   6.6551   42.334   5.0790 5.035305 8.371784 
1 1 1    2    9   62 o  130.318   2.4190  2596.40   96.219  2544.82  202.299  2611.48  109.383  128.612   5.1534  130.663   2.7427 -2.050705 5.837817 
1 1 1    2   10    0 o   84.832   11.597  1159.53  284.369  1159.53  284.369  1159.53  284.369   84.832   11.597   84.832   11.597 -0.000000 0.000000 
1 1 1    2   10    1 o  258.946   9.9106 10252.19  783.298  4697.95  1102.32 15917.26  1113.26  173.444   21.268  322.562   11.308 -149.1180 24.08719 
1 1 1    2   10    2 o  544.916   33.014 46399.10  5465.08 46399.10  5465.08   0.0000   0.0000  544.916   33.014  ?   ?  0.000000 33.01441 
1 1 1    2   10    3 f   86.271   10.145  1153.58  262.025  1153.58  262.025   0.0000   0.0000   86.271   10.145  ?   ?  0.000000 10.14463 
1 1 1    2   10    4 o  526.733   21.985 42704.70  3534.54 40761.57  4996.75 44650.71  5000.45  511.179   32.190  535.605   30.716 -24.42606 44.49355 
1 1 1    2   10    5 o  744.495   45.116 87826.59 10203.72   0.0000   0.0000 87826.59 10203.72  ?   ?   744.495   45.116 0.000000 45.11638 
1 1 1    2   10    6 o  407.020   25.023 25635.53  3093.55   0.0000   0.0000 25635.53  3093.55  ?   ?   407.020   25.023 0.000000 25.02269 
1 1 1    2   10    7 o  632.468   26.358 61709.56  5088.20   0.0000   0.0000 61709.56  5088.20  ?   ?   632.468   26.358 0.000000 26.35779 
1 1 1    2   10    8 o  623.326   26.119 59901.79  4969.29   0.0000   0.0000 59901.79  4969.29  ?   ?   623.326   26.119 0.000000 26.11937 
1 1 1    2   10    9 o  1169.84   26.125 210911.80  9328.20 211691.20 11134.15 209076.70 17085.34  1169.57   31.190  1150.97   48.634 18.60559 57.77638 
1 1 1    2   10   10 o  915.658   38.197 130565.00 10675.22 132430.70 15096.80 128699.30 15097.27  911.354   54.523  897.786   55.365 13.56726 77.70449 
1 1 1    2   10   11 o  794.240   17.896 96686.54  4338.46 96770.05  5177.33 96489.62  7950.10  793.856   21.367  789.361   32.997 4.494995 39.31139 
1 1 1    2   10   12 o  869.517   19.082 115937.60  5064.17 118200.30  6043.80 110604.90  9278.31  877.123   22.575  844.131   36.012 32.99237 42.50263 
1 1 1    2   10   13 o  665.309   19.716 67889.16  4003.69 65559.22  5663.48 70216.79  5660.67  652.038   28.457  675.038   27.474 -23.00061 39.55554 
1 1 1    2   10   14 o  336.286   7.2225 17269.96  741.329 17405.36  860.420 16879.88  1460.44  337.564   8.3510  332.140   14.406 5.424133 16.65156 
1 1 1    2   10   15 o  662.742   10.950 67132.19  2215.08 68388.35  3014.24 65657.34  3266.08  668.500   14.773  654.816   16.341 13.68451 22.02895 
1 1 1    2   10   16 o  957.788   20.461 140741.91  5981.46 145644.80 11748.40 139026.30  6949.62  967.254   39.794  951.007   23.942 16.24738 46.44143 
1 1 1    2   10   17 o  764.920   12.172 89463.15  2841.76 93438.37  4019.22 85489.39  4018.48  781.049   16.860  746.962   17.626 34.08716 24.39078 
1 1 1    2   10   18 o  697.413   14.650 74436.92  3118.53 74762.48  3623.19 73506.35  6125.69  698.597   16.992  690.196   29.078 8.401733 33.67884 
1 1 1    2   10   19 o  504.476   6.7764 38863.03  1043.41 38790.87  1476.02 38935.11  1475.19  503.851   9.5978  504.789   9.5746 -0.9374084 13.55696 
1 1 1    2   10   20 o  920.137   18.260 129802.80  5128.31 126723.40  6333.54 135665.30  8738.93  907.981   22.854  936.833   30.562 -28.85199 38.16159 
1 1 1    2   10   21 o  488.673   7.5088 36472.95  1119.97 37176.18  4370.62 36423.53  1158.65  489.730   29.375  488.328   7.7736 1.401337 30.38636 
1 1 1    2   10   22 o  106.661   2.8603  1736.40   93.119  1406.56  244.189  1792.53  100.731   95.580   8.4576  108.370   3.0453 -12.79007 8.989162 
1 1 1    2   10   23 o  317.348   6.1887 15378.25  599.449 14585.12  889.975 16036.90  811.013  308.939   9.4382  324.003   8.2009 -15.06378 12.50337 
1 1 1    2   10   24 o  184.079   4.2722  5172.71  240.036  5087.98  337.484  5259.46  341.474  182.539   6.0573  185.590   6.0282 -3.051071 8.545741 
1 1 1    2   10   25 o  512.622   7.7666 40141.70  1215.19 37705.64  1977.98 41618.57  1540.11  496.392   13.055  521.830   9.6695 -25.43799 16.24609 
1 1 1    2   10   26 o  272.358   4.2009 11323.85  349.219 11178.46  587.180 11403.42  434.396  270.531   7.1111  273.292   5.2076 -2.761322 8.814051 
1 1 1    2   10   27 o  382.704   6.2367 22366.96  728.508 22381.54  1554.68 22362.86  824.648  382.369   13.321  382.633   7.0611 -0.2633667 15.07685 
1 1 1    2   10   28 o  348.853   4.1964 18578.66  446.819 18218.58  670.180 18866.80  599.505  345.382   6.3573  351.503   5.5879 -6.120880 8.464039 
1 1 1    2   10   29 o  157.582   2.5946  3790.19  124.795  3654.57  149.737  4098.62  225.820  154.732   3.1705  163.846   4.5155 -9.113754 5.517459 
1 1 1    2   10   30 o  848.265   12.366 110198.30  3201.78 107753.10  4378.84 113007.70  4693.53  837.453   17.131  857.352   17.936 -19.89960 24.80254 
1 1 1    2   10   31 o  223.197   4.0898  7606.04  278.618  7301.06  406.937  7875.17  382.269  218.617   6.0985  227.070   5.5156 -8.453339 8.222771 
1 1 1    2   10   32 o  469.802   8.8216 33765.23  1264.96 33917.80  1708.77 33580.24  1881.53  470.394   11.902  467.815   13.177 2.579132 17.75623 
1 1 1    2   10   33 o  294.216   5.5231 13225.08  495.985 13174.73  516.950 13808.42  1759.46  293.640   5.7679  298.156   19.440 -4.515808 20.27782 
1 1 1    2   10   34 o  672.205   8.9910 69191.13  1844.71 68793.27  2185.22 70177.80  3441.21  669.805   10.689  674.204   16.723 -4.398865 19.84679 
1 1 1    2   10   35 o   25.285   4.1676  100.231   31.043   96.077   52.978  102.403   38.308   24.692   6.8091   25.435   5.1118 -0.7429123 8.514381 
1 1 1    2   10   36 o  261.357   3.8201 10432.23  304.734  9688.42  584.126 10710.36  357.194  251.592   7.6066  264.785   4.4197 -13.19301 8.797424 
1 1 1    2   10   37 o  278.440   5.3099 11849.80  451.272   0.0000   0.0000 11849.80  451.272  ?   ?   278.440   5.3099 0.000000 5.309930 
1 1 1    2   10   38 o  376.321   6.8027 21669.67  781.369 20970.67  2753.40 21730.89  814.870  363.500   24.968  376.810   7.0851 -13.31042 25.95413 
1 1 1    2   10   39 o  294.360   5.7475 13249.87  516.389 12993.20  565.849 14528.53  1262.96  291.429   6.3614  306.861   13.484 -15.43115 14.90957 
1 1 1    2   10   40 o  406.806   5.4814 25304.22  680.603 24077.09  920.568 26783.64  1010.78  396.468   7.6073  418.094   7.9207 -21.62585 10.98223 
1 1 1    2   10   41 o  224.916   2.8287  7724.34  194.186  7846.83  270.647  7594.39  278.775  226.637   3.9125  222.951   4.0966 3.686356 5.664819 
1 1 1    2   10   42 o  335.218   4.1748 17170.08  427.153 16970.61  640.724 17329.66  573.089  333.005   6.3038  336.611   5.5780 -3.605804 8.417348 
1 1 1    2   10   43 o  222.083   2.8391  7531.33  192.447  7628.12  269.091  7430.00  275.340  223.445   3.9456  220.515   4.0909 2.930099 5.683555 
1 1 1    2   10   44 o   40.900   5.1824  259.862   63.243  270.484  192.781  258.581   66.948   42.152   13.358   40.747   5.5255 1.405609 14.45527 
1 1 1    2   10   45 o  165.670   3.0977  4191.71  156.638  4101.42  244.308  4254.73  204.111  163.789   4.8869  166.870   4.0075 -3.081985 6.319960 
1 1 1    2   10   46 o  238.340   2.9712  8675.06  216.143  8647.42  263.570  8731.80  377.688  237.921   3.6295  238.955   5.1784 -1.034195 6.323732 
1 1 1    2   10   47 o  280.309   4.0193 12006.15  343.880 11570.94  401.816 13197.40  664.778  275.110   4.7853  293.444   7.4222 -18.33450 8.831085 
1 1 1    2   10   48 o  199.416   3.5682  6075.08  217.184  5601.47  375.250  6313.64  266.324  191.267   6.4278  203.248   4.2931 -11.98112 7.729650 
1 1 1    2   10   49 f  185.590   3.4119  5261.65  193.273  5342.02  339.268  5223.04  235.163  186.816   5.9499  184.863   4.1678 1.952408 7.264420 
1 1 1    2   10   50 o  211.020   4.4034  6807.44  283.613  6675.07  953.198  6820.29  297.067  206.488   15.232  211.202   4.6083 -4.713882 15.91355 
1 1 1    2   10   51 o  160.106   3.8098  3917.46  186.177  3422.99  263.631  4409.40  262.958  149.527   5.7764  169.771   5.0746 -20.24408 7.688906 
1 1 1    2   10   52 o  136.171   3.8662  2834.15  160.688  2678.81  201.360  3106.54  266.638  132.319   4.9858  142.398   6.1348 -10.07933 7.905299 
1 1 1    2   10   53 o  159.473   3.2673  3885.79  159.034  3775.73  191.244  4132.53  286.333  157.152   3.9870  164.256   5.7113 -7.104187 6.965277 
1 1 1    2   10   54 o  103.304   2.9429  1630.38   92.793  1638.69   97.191  1544.68  312.008  103.562   3.0747   99.418   10.438 4.144852 10.88140 
1 1 1    2   10   55 o   44.214   3.9955  301.419   53.338  291.156   88.683  307.236   66.763   42.992   6.9990   44.515   5.0002 -1.523212 8.601640 
1 1 1    2   10   56 o   42.881   4.1980  284.058   54.241  318.111   89.174  264.060   68.336   45.021   6.6930   41.126   5.5886 3.894524 8.719501 
1 1 1    2   10   57 o  196.088   3.3065  5879.19  197.895  6337.83  250.814  5122.77  322.106  203.498   4.0381  182.683   5.7767 20.81473 7.048182 
1 1 1    2   10   58 o   28.503   6.2381  129.770   52.762  177.754   70.088   67.008   80.157   33.339   7.1050   23.295   8.5722 10.04340 11.13389 
1 1 1    2   10   59 o  108.204   3.3879  1791.53  111.890  1860.54  139.010  1664.56  188.558  110.197   4.1329  103.842   5.9743 6.354820 7.264538 
1 1 1    2   10   60 o   74.888   4.5858  863.789  104.315  874.976  148.878  853.001  146.206   75.018   6.5682   74.070   6.5340 0.9481659 9.264725 
1 1 1    2   10   61 o  128.609   2.9798  2530.83  116.970  2436.43  334.963  2543.94  124.828  124.626   8.8637  128.919   3.1723 -4.293488 9.414253 
1 1 1    2   11    6 o  575.693   34.647 51587.60  6059.71 51587.60  6059.71   0.0000   0.0000  575.693   34.647  ?   ?  0.000000 34.64745 
1 1 1    2   11    7 o  1338.53   85.046 300881.50 34565.25 300881.50 34565.25   0.0000   0.0000  1338.53   85.046  ?   ?  0.000000 85.04602 
1 1 1    2   11    9 o  183.474   13.775  5178.88  765.803   0.0000   0.0000  5178.88  765.803  ?   ?   183.474   13.775 0.000000 13.77547 
1 1 1    2   11   10 o  175.580   9.3100  4723.20  497.152  4947.93  699.745  4494.15  706.459  179.411   12.864  170.857   13.661 8.553818 18.76432 
1 1 1    2   11   11 o  1071.82   36.202 178246.80 11843.26 178316.00 20512.82 178212.20 14505.08  1052.02   64.190  1067.23   44.529 -15.20728 78.12315 
1 1 1    2   11   12 o  1156.61   29.104 206348.41 10274.37 202520.50 11312.68 224376.20 24550.49  1144.38   32.388  1176.19   68.684 -31.81079 75.93748 
1 1 1    2   11   13 o   14.501   7.3313 -540.4686  157.733 -540.4686  157.733   0.0000   0.0000   14.501   7.3313  ?   ?  0.000000 7.331262 
1 1 1    2   11   14 o  484.030   8.5035 35787.90  1256.29 34419.92  1776.83 37155.36  1776.49  474.451   12.270  492.979   11.806 -18.52780 17.02762 
1 1 1    2   11   15 o  559.916   10.097 47908.28  1725.50 47027.69  2566.28 48634.85  2331.09  554.283   15.169  563.846   13.545 -9.563049 20.33633 
1 1 1    2   11   16 o  843.286   18.931 109045.50  4872.53 109060.00  5282.03 108962.80 12621.16  842.989   20.529  829.859   50.063 13.12952 54.10840 
1 1 1    2   11   17 o  109.388   3.2975  1826.38  110.096  1837.14  115.295  1715.07  370.811  109.709   3.4431  105.261   11.742 4.447563 12.23610 
1 1 1    2   11   18 o  466.505   7.2168 33236.46  1027.59 32286.33  1302.26 34804.27  1672.82  459.680   9.2816  477.116   11.487 -17.43610 14.76824 
1 1 1    2   11   19 o  221.270   5.2734  7474.85  356.145  7418.31  436.343  7587.70  616.418  220.409   6.4861  222.847   9.0626 -2.438538 11.14448 
1 1 1    2   11   20 o  545.894   7.7920 45518.61  1298.29 44787.50  2181.92 45919.33  1615.38  541.042   13.213  548.161   9.6549 -7.119019 16.36436 
1 1 1    2   11   21 o  604.947   20.483 56201.24  3782.13 54468.18  6550.10 57068.07  4632.40  590.477   36.523  608.678   24.935 -18.20068 44.22273 
1 1 1    2   11   22 o  540.137   13.661 44651.86  2252.23 47675.38  5390.96 44012.55  2478.93  553.688   32.036  536.080   15.150 17.60797 35.43813 
1 1 1    2   11   23 o  687.846   12.074 72371.79  2534.81 71073.52  3584.34 73670.67  3585.19  680.835   17.248  693.219   16.944 -12.38458 24.17892 
1 1 1    2   11   24 o  220.580   9.0158  7435.24  607.000  8183.09  1074.34  7084.56  735.675  230.613   15.351  214.943   11.253 15.66943 19.03334 
1 1 1    2   11   25 o  196.952   3.5523  5921.11  213.543  6335.65  389.152  5742.50  255.436  203.684   6.2596  193.949   4.3150 9.734634 7.602720 
1 1 1    2   11   26 f  318.379   6.4161 15481.08  623.497 15451.18  1132.75 15494.07  746.809  317.798   11.678  318.462   7.6831 -0.6633911 13.97865 
1 1 1    2   11   27 o  113.183   2.4859  1955.26   85.878  2009.80  163.600  1934.51  100.897  114.734   4.6717  112.578   2.9363 2.155197 5.517861 
1 1 1    2   11   28 f  595.560   8.5660 54215.29  1557.11 54278.14  1996.04 54117.58  2488.74  595.603   10.980  594.291   13.720 1.312561 17.57281 
1 1 1    2   11   29 o  180.212   3.4519  4957.72  189.873  4717.14  276.071  5173.67  261.559  175.754   5.1463  184.074   4.6554 -8.319336 6.939589 
1 1 1    2   11   30 o  179.729   2.5521  4930.62  140.001  5163.32  219.829  4771.83  181.590  183.898   3.9164  176.799   3.3651 7.099228 5.163547 
1 1 1    2   11   31 o  269.832   4.0708 11117.55  335.266 11067.51  473.869 11167.70  474.407  269.150   5.7683  270.367   5.7488 -1.216522 8.143850 
1 1 1    2   11   32 f  288.771   6.3764 12745.69  562.012 13046.90  973.844 12595.27  688.175  291.729   10.937  286.948   7.8574 4.780640 13.46678 
1 1 1    2   11   33 o  143.418   4.6047  3141.90  201.568  3618.30  431.729  3009.10  227.937  153.418   9.2632  140.333   5.3215 13.08487 10.68293 
1 1 1    2   11   34 o  122.626   2.8245  2295.71  105.716  2389.36  170.726  2237.47  134.632  125.066   4.4724  121.045   3.6440 4.021072 5.769029 
1 1 1    2   11   35 o   54.484   3.5438  455.246   58.612  427.877   78.152  490.428   88.609   52.689   4.9165   56.410   5.2051 -3.721252 7.159944 
1 1 1    2   11   36 o  426.346   6.5663 27805.76  854.481 28186.61  3435.07 27780.64  882.211  420.764   26.888  426.120   6.7830 -5.355377 27.73021 
1 1 1    2   11   37 o  301.125   3.9898 13851.04  366.708 12825.00  699.727 14239.55  430.574  289.366   7.9225  305.271   4.6211 -15.90561 9.171758 
1 1 1    2   11   38 f  155.253   3.1993  3680.78  151.607  3599.82  185.420  3844.08  263.331  153.511   3.9573  158.566   5.4409 -5.055191 6.727867 
1 1 1    2   11   39 o  339.255   5.1023 17594.16  528.332 17376.41  561.419 19279.92  1562.07  337.109   5.4563  353.053   14.496 -15.94385 15.48878 
1 1 1    2   11   40 o  325.217   4.8806 16167.15  484.463 15557.19  625.738 17079.90  765.454  318.835   6.4300  333.905   7.5107 -15.06964 9.887119 
1 1 1    2   11   41 o  224.200   2.9585  7675.83  202.454  7664.74  263.935  7691.68  315.557  223.989   3.8606  224.332   4.6086 -0.3431396 6.011930 
1 1 1    2   11   42 o  220.424   2.9685  7419.65  199.718  7282.28  260.167  7616.74  311.638  218.323   3.9042  223.234   4.5738 -4.911133 6.013524 
1 1 1    2   11   43 o  176.318   3.2423  4748.11  174.490  4786.74  289.731  4726.13  218.574  176.913   5.3656  175.870   4.0718 1.043610 6.735684 
1 1 1    2   11   44 o  141.847   2.8825  3072.55  124.796  2935.00  156.128  3315.93  207.680  138.607   3.6904  147.285   4.6198 -8.677414 5.912812 
1 1 1    2   11   45 o  313.226   5.0055 15001.46  478.545 14609.35  584.459 15799.04  833.553  308.948   6.1980  320.864   8.5113 -11.91696 10.52887 
1 1 1    2   11   46 o  227.347   3.7394  7896.58  259.486  7490.24  305.014  8961.13  493.696  221.365   4.5143  241.898   6.6867 -20.53285 8.067889 
1 1 1    2   11   47 o  192.215   4.3495  5647.08  255.179  5070.09  376.236  6138.61  347.258  181.934   6.7753  200.299   5.6801 -18.36485 8.841289 
1 1 1    2   11   48 o  263.490   3.9128 10608.97  314.682 10231.57  604.722 10749.12  368.506  258.289   7.6706  265.164   4.5532 -6.874817 8.920207 
1 1 1    2   11   49 o  218.833   2.9235  7313.79  195.268  6962.43  298.901  7575.39  257.912  213.393   4.5891  222.654   3.7951 -9.260986 5.955062 
1 1 1    2   11   50 o  139.273   3.0612  2962.82  130.130  2693.14  207.756  3136.93  166.932  132.677   5.1303  143.271   3.8174 -10.59438 6.394694 
1 1 1    2   11   51 o  107.678   3.6353  1771.85  119.478  1775.74  120.729  1587.27  832.041  107.795   3.6694   96.863   27.086 10.93171 27.33334 
1 1 1    2   11   52 o  147.538   4.9635  3331.03  223.518  3322.64  230.366  3465.95  923.521  147.339   5.1225  145.749   21.397 1.590347 22.00155 
1 1 1    2   11   53 o   79.278   3.3548  960.479   81.178  994.076  273.207  957.226   85.018   79.260   11.640   79.138   3.5197 0.1212616 12.16063 
1 1 1    2   11   54 o   62.192   3.0749  591.026   58.369  768.890  104.467  510.298   70.380   70.702   4.8707   57.623   4.0269 13.07890 6.319804 
1 1 1    2   11   55 o  206.403   3.2751  6512.00  206.328  6809.61  237.872  5607.79  414.622  211.020   3.6932  190.969   7.1133 20.05107 8.014915 
1 1 1    2   11   56 o  155.801   2.5124  3708.44  119.474  3950.88  235.059  3623.99  138.731  160.587   4.7957  153.986   2.9517 6.601074 5.631277 
1 1 1    2   11   57 o   75.315   2.3049  866.560   52.984  915.447   71.670  807.639   78.682   77.381   3.0345   72.658   3.5479 4.722855 4.668588 
1 1 1    2   11   58 o  116.240   3.4449  2067.50  122.221  2268.02  194.579  1936.82  157.075  121.535   5.2454  112.392   4.5788 9.142296 6.962742 
1 1 1    2   11   59 o  116.142   2.9785  2063.23  105.587  2295.53  197.818  1970.69  124.860  122.207   5.3034  113.448   3.6059 8.759338 6.413106 
1 1 1    2   11   60 o   86.730   2.3272  1149.74   61.604  1263.65   85.456  1026.50   88.889   90.872   3.0810   81.865   3.5574 9.006676 4.706133 
1 1 1    2   11   61 o   36.590   4.6767  209.013   51.035  200.760   58.740  234.427  103.074   35.681   5.5762   37.968   9.0268 -2.286991 10.61018 
1 1 1    2   12    2 f  490.706   29.693 37301.35  4426.38 37301.35  4426.38   0.0000   0.0000  490.706   29.693  ?   ?  0.000000 29.69343 
1 1 1    2   12    3 o  1224.53   76.347 246902.80 28393.05 246902.80 28393.05   0.0000   0.0000  1224.53   76.347  ?   ?  0.000000 76.34730 
1 1 1    2   12    4 o  883.446   53.391 123902.30 14329.17 123902.30 14329.17   0.0000   0.0000  883.446   53.391  ?   ?  0.000000 53.39112 
1 1 1    2   12    5 o  1210.31   75.274 240572.50 27669.41 240572.50 27669.41   0.0000   0.0000  1210.31   75.274  ?   ?  0.000000 75.27390 
1 1 1    2   12    6 o  511.453   12.570 40001.62  1962.33 40512.97  2158.90 37570.98  4706.91  514.609   13.745  492.079   31.504 22.53024 34.37212 
1 1 1    2   12    7 o  850.497   20.047 110959.10  5204.15 113200.00  5729.54 100394.50 12440.64  858.626   21.862  796.187   51.468 62.43976 55.91931 
1 1 1    2   12    8 o  425.027   18.290 27687.15  2372.68 29922.67  3354.05 25447.84  3356.90  440.333   25.059  405.529   27.279 34.80417 37.04233 
1 1 1    2   12    9 o  1079.67   36.553 180954.70 12045.81 183486.20 20863.70 179688.91 14753.13  1066.81   64.377  1071.16   45.124 -4.354980 78.61655 
1 1 1    2   12   10 f  544.238   11.936 45286.05  1982.82 46992.64  2364.95 41247.59  3638.02  554.209   13.981  518.113   23.005 36.09534 26.92016 
1 1 1    2   12   11 o  197.516   8.2377  5959.05  496.621  6619.36  853.255  5620.76  610.726  207.577   13.542  191.489   10.489 16.08760 17.12879 
1 1 1    2   12   12 o  789.222   17.221 95430.75  4148.24 97592.65  4950.55 90334.64  7600.72  797.495   20.338  764.009   32.594 33.48657 38.41887 
1 1 1    2   12   13 o  460.528   19.545 32533.34  2747.31 32379.70  3885.84 32686.90  3884.73  457.387   27.969  459.593   27.824 -2.206055 39.45176 
1 1 1    2   12   14 o  942.671   25.309 136805.91  7281.95 136805.91  7281.95   0.0000   0.0000  942.671   25.309  ?   ?  0.000000 25.30875 
1 1 1    2   12   15 o  250.075   16.727  9623.65  1269.41  9623.65  1269.41   0.0000   0.0000  250.075   16.727  ?   ?  0.000000 16.72730 
1 1 1    2   12   16 o  191.200   5.3138  5581.33  310.104  6137.07  825.281  5489.97  334.626  199.809   13.613  189.622   5.7817 10.18785 14.79022 
1 1 1    2   12   17 o  267.523   4.4498 10925.31  363.348 11084.51  593.274 10829.75  459.636  269.402   7.2150  266.327   5.6543 3.075073 9.166693 
1 1 1    2   12   18 o  676.128   11.582 69905.14  2390.23 73958.88  3380.71 65853.39  3379.88  694.838   15.941  655.506   16.893 39.33148 23.22671 
1 1 1    2   12   19 o  229.478   6.4502  8041.65  451.788  8356.03  1099.49  7977.79  495.557  233.054   15.546  228.550   7.1039 4.503876 17.09216 
1 1 1    2   12   20 o  304.384   7.9866 14153.44  741.994 14175.92  1788.65 14148.77  815.470  303.277   19.425  304.302   8.7798 -1.025543 21.31694 
1 1 1    2   12   21 o  635.105   21.575 62013.91  4182.31 63503.73  7239.97 61267.77  5123.68  636.977   37.403  630.055   26.643 6.922363 45.92207 
1 1 1    2   12   22 o  492.722   14.617 37180.14  2198.28 38442.51  4394.75 36758.89  2538.70  497.642   29.060  489.622   16.988 8.019775 33.66076 
1 1 1    2   12   23 o  208.745   5.0522  6652.88  321.898  6640.71  394.503  6677.15  556.810  208.531   6.1981  209.035   8.7271 -0.5039825 10.70419 
1 1 1    2   12   24 o  640.592   13.635 62835.07  2665.94 65210.77  5243.25 62006.77  3096.00  649.602   26.445  635.965   15.950 13.63702 30.88214 
1 1 1    2   12   25 o  225.790   6.3983  7786.43  440.950  7232.71  509.371  9442.22  880.832  217.576   7.6702  248.416   11.617 -30.83992 13.92079 
1 1 1    2   12   26 o  779.930   12.392 93131.11  2950.04 95910.82  4172.89 90353.81  4171.08  790.282   17.300  766.900   17.819 23.38153 24.83563 
1 1 1    2   12   27 o   52.152   3.6075  417.185   57.072  432.546  176.919  415.401   60.295   52.149   11.430   52.023   3.8241 0.1258507 12.05315 
1 1 1    2   12   28 o  172.466   3.2148  4540.60  169.228  4401.05  217.297  4755.71  269.777  169.779   4.1933  176.469   5.0086 -6.690765 6.532222 
1 1 1    2   12   29 o  446.969   7.9362 30547.79  1082.70 30339.41  1414.08 30843.03  1683.17  445.133   10.408  448.518   12.295 -3.385529 16.10889 
1 1 1    2   12   30 o  306.406   5.7108 14344.40  534.082 14432.51  699.315 14221.09  827.333  307.221   7.4577  304.836   8.8920 2.384735 11.60535 
1 1 1    2   12   31 o  517.526   9.9672 41038.24  1574.43 41573.40  2229.32 40505.71  2223.85  519.865   14.050  513.103   14.200 6.762634 19.97567 
1 1 1    2   12   32 o  229.730   3.1660  8057.85  221.993  7920.07  353.413  8147.64  285.302  227.676   5.0857  230.973   4.0469 -3.297302 6.499356 
1 1 1    2   12   33 o  272.985   5.1469 11387.67  428.847 11346.33  696.023 11412.97  544.472  272.196   8.3777  273.180   6.5300 -0.9838562 10.62198 
1 1 1    2   12   34 o  140.806   3.1190  3027.27  134.045  2811.18  672.565  3036.21  136.789  133.715   16.854  141.012   3.1782 -7.297287 17.15071 
1 1 1    2   12   35 o  139.964   3.6706  2991.92  156.807   0.0000   0.0000  2991.92  156.807  ?   ?   139.964   3.6706 0.000000 3.670552 
1 1 1    2   12   36 o  464.210   10.102 33084.80  1431.30 33470.51  1826.53 32471.13  2303.93  466.049   12.840  457.605   16.495 8.444244 20.90385 
1 1 1    2   12   37 o  163.788   3.0735  4096.46  153.649  3785.11  247.398  4291.96  196.041  157.357   5.1510  167.624   3.8317 -10.26637 6.419874 
1 1 1    2   12   38 o  248.347   3.3939  9419.57  257.264  9563.62  467.640  9357.05  308.073  250.026   6.1279  247.480   4.0785 2.545944 7.361029 
1 1 1    2   12   39 o  237.337   2.7071  8600.72  196.102  8694.82  294.056  8525.34  263.168  238.558   4.0385  236.246   3.6497 2.312271 5.443293 
1 1 1    2   12   40 o  219.213   3.0543  7338.54  204.357  7318.71  269.989  7365.16  312.700  218.862   4.0417  219.513   4.6671 -0.6507416 6.173913 
1 1 1    2   12   41 o  124.438   2.4591  2364.20   93.400  2258.99  129.964  2476.57  134.319  121.610   3.5014  127.333   3.4561 -5.723274 4.919755 
1 1 1    2   12   42 o  127.392   3.6036  2479.10  140.118  2537.90  208.512  2430.68  189.206  128.820   5.3031  126.089   4.9163 2.731743 7.231403 
1 1 1    2   12   43 o  311.744   5.3460 14863.84  508.674 15518.86  719.591 14209.61  719.157  318.219   7.4087  304.442   7.7393 13.77710 10.71381 
1 1 1    2   12   44 o  176.436   2.2323  4752.56  120.215  4635.35  179.691  4847.54  161.742  174.203   3.3795  178.163   2.9743 -3.960281 4.501951 
1 1 1    2   12   45 o   86.518   4.6658  1147.63  122.756  1132.30  131.919  1246.62  335.224   85.902   5.0536   88.955   12.708 -3.053085 13.67571 
1 1 1    2   12   46 o   96.073   4.0097  1410.44  117.578  1385.16  125.325  1596.15  339.677   95.198   4.3131  101.159   11.189 -5.960785 11.99116 
1 1 1    2   12   47 o  310.843   4.5890 14772.10  435.385 13859.23  716.047 15307.57  548.408  300.581   7.8048  316.278   5.6809 -15.69669 9.653395 
1 1 1    2   12   48 f  204.902   2.6764  6411.44  167.382  6310.61  236.747  6512.21  236.680  203.217   3.8169  206.442   3.7562 -3.224686 5.355125 
1 1 1    2   12   49 o   93.657   2.9387  1339.74   84.005  1258.18  106.797  1472.10  136.045   90.734   3.8563   98.118   4.5427 -7.384148 5.958794 
1 1 1    2   12   50 o  279.795   4.6974 11974.06  401.159 12128.96  650.620 11879.06  509.543  281.092   7.5834  278.486   5.9946 2.606293 9.666568 
1 1 1    2   12   51 o  258.519   4.2138 10219.33  332.491 10531.13  531.234 10018.52  426.315  262.053   6.6417  255.797   5.4603 6.256454 8.598111 
1 1 1    2   12   52 o  228.060   3.5500  7949.57  247.114  8045.39  348.522  7852.70  350.429  229.262   4.9806  226.488   5.0692 2.774277 7.106549 
1 1 1    2   12   53 o   48.743   4.0088  365.810   59.113  275.429  104.764  408.027   71.600   41.536   8.5486   51.430   4.6101 -9.893890 9.712468 
1 1 1    2   12   54 o  165.270   4.6199  4181.60  233.048  4320.55  261.708  3649.39  512.188  167.935   5.1057  152.888   11.050 15.04720 12.17284 
1 1 1    2   12   55 f  238.649   2.9972  8704.72  218.321  9530.51  368.465  8257.96  271.018  249.413   4.8402  232.335   3.8218 17.07745 6.167112 
1 1 1    2   12   56 o   72.265   2.2906  797.767   50.524  854.916   70.184  736.295   72.790   74.779   3.0750   69.382   3.4372 5.396965 4.611968 
1 1 1    2   12   57 o   66.510   4.5587  681.293   91.985  714.203  109.315  601.475  170.242   67.997   5.3092   61.535   9.3591 6.462364 10.76014 
1 1 1    2   12   58 o   77.717   3.1427  924.024   74.547  1120.95  175.401  880.611   82.356   84.948   6.8225   75.843   3.5576 9.104912 7.694366 
1 1 1    2   12   59 o   49.297   3.1497  373.411   47.145  307.360  114.196  386.982   51.762   43.647   8.8743   50.160   3.4010 -6.513542 9.503687 
1 1 1    2   12   60 o   47.199   3.7404  343.582   53.444  299.720  113.984  355.942   60.507   43.021   8.9710   47.986   4.1728 -4.964348 9.893969 
1 1 1    2   13    1 o  795.665   47.890 99828.67 11576.09   0.0000   0.0000 99828.67 11576.09  ?   ?   795.665   47.890 0.000000 47.88974 
1 1 1    2   13    3 o  1156.00   71.539 218243.00 25117.38 218243.00 25117.38   0.0000   0.0000  1156.00   71.539  ?   ?  0.000000 71.53853 
1 1 1    2   13    4 o  301.044   19.248 13953.83  1759.38 13953.83  1759.38   0.0000   0.0000  301.044   19.248  ?   ?  0.000000 19.24824 
1 1 1    2   13    5 o  899.675   54.464 128764.20 14885.45 128764.20 14885.45   0.0000   0.0000  899.675   54.464  ?   ?  0.000000 54.46412 
1 1 1    2   13    6 o  443.873   12.234 30127.69  1657.45 30127.69  1657.45   0.0000   0.0000  443.873   12.234  ?   ?  0.000000 12.23390 
1 1 1    2   13    7 o  497.357   21.061 37974.70  3197.14 38730.60  4519.13 37217.26  4523.76  499.964   29.749  489.901   30.404 10.06302 42.53645 
1 1 1    2   13    8 o   60.003   10.887  567.401  192.043  797.669  226.712 -17.5825  361.350   71.452   10.727   39.456   16.878 31.99585 19.99812 
1 1 1    2   13    9 o  515.304   12.310 40608.19  1936.09 38461.63  2309.13 45689.18  3552.63  501.239   15.093  545.463   21.339 -44.22412 26.13710 
1 1 1    2   13   10 o  216.948   10.641  7194.13  704.613  7498.23  991.843  6884.29  1001.17  220.833   14.801  211.462   15.622 9.370438 21.52012 
1 1 1    2   13   11 o  390.399   9.6777 23290.31  1153.18 23672.41  1268.53 21471.16  2767.83  393.539   10.561  372.745   24.464 20.79416 26.64617 
1 1 1    2   13   12 f  263.250   12.133 10598.22  974.906 10629.26  1376.92 10567.01  1380.54  262.795   17.262  262.008   17.361 0.7872314 24.48272 
1 1 1    2   13   13 o  282.819   7.2198 12216.09  623.234 12528.20  685.034 10716.71  1501.48  286.390   7.8368  263.666   18.780 22.72443 20.34961 
1 1 1    2   13   14 o  373.067   13.182 21294.58  1501.03 20678.47  2600.92 21602.25  1838.00  365.897   23.412  375.522   16.036 -9.625427 28.37710 
1 1 1    2   13   15 o  817.139   17.890 102389.40  4462.00 103189.00 11564.42 102249.60  4836.51  807.733   47.112  816.235   19.413 -8.501892 50.95469 
1 1 1    2   13   16 o  183.967   4.8151  5166.81  270.375  5323.33  292.018  4226.83  715.641  186.729   5.1237  165.553   14.303 21.17545 15.19300 
1 1 1    2   13   17 o  346.625   21.719 18541.58  2286.27   0.0000   0.0000 18541.58  2286.27  ?   ?   346.625   21.719 0.000000 21.71945 
1 1 1    2   13   18 o  453.263   27.656 31848.30  3807.75   0.0000   0.0000 31848.30  3807.75  ?   ?   453.263   27.656 0.000000 27.65561 
1 1 1    2   13   19 o  502.379   11.371 38597.71  1743.66 39207.31  4529.26 38491.64  1889.27  502.440   29.666  501.595   12.340 0.8458862 32.13009 
1 1 1    2   13   20 o  329.351   8.0271 16571.89  806.924 16545.78  958.662 16635.36  1494.54  329.017   9.5462  329.550   14.858 -0.5327759 17.66059 
1 1 1    2   13   21 o  321.106   5.3936 15743.55  528.620 15995.61  748.330 15492.49  746.836  323.586   7.5768  318.452   7.6836 5.134125 10.79099 
1 1 1    2   13   22 o  189.174   3.0235  5462.42  174.576  5727.19  254.951  5228.67  239.544  193.688   4.3126  185.068   4.2407 8.620575 6.048290 
1 1 1    2   13   23 o  536.627   9.9281 44031.62  1626.12 43834.67  1954.76 44474.15  2930.17  535.193   11.966  538.169   17.838 -2.975708 21.48038 
1 1 1    2   13   24 o  132.293   4.0350  2671.85  162.930  2758.12  196.798  2483.86  290.497  134.403   4.7973  127.280   7.5110 7.123207 8.912253 
1 1 1    2   13   25 o  796.777   13.214 97278.16  3213.46 101678.90  8017.82 96435.97  3507.49  806.389   32.576  792.997   14.491 13.39209 35.65359 
1 1 1    2   13   26 o  364.767   4.8371 20318.12  538.538 20467.34  762.408 20169.53  760.811  365.994   6.8249  363.319   6.8608 2.674805 9.677257 
1 1 1    2   13   27 o  259.561   5.8664 10292.24  464.759 10382.42  497.731  9678.46  1298.54  260.677   6.2557  250.173   17.109 10.50414 18.21636 
1 1 1    2   13   28 o  289.774   5.3082 12826.96  469.489 12766.65  491.125 13466.61  1599.41  289.078   5.5662  294.932   17.851 -5.853973 18.69906 
1 1 1    2   13   29 o  107.955   4.3831  1779.90  144.426  1824.77  156.472  1521.70  375.366  109.301   4.6902   98.741   12.753 10.56024 13.58807 
1 1 1    2   13   30 o  193.736   4.2302  5732.51  250.144  6146.02  854.537  5693.75  261.603  199.326   14.138  193.072   4.4392 6.253464 14.81823 
1 1 1    2   13   31 f  225.005   3.8018  7731.66  261.092  7703.87  341.768  7770.60  404.617  224.544   4.9867  225.462   5.8797 -0.9179840 7.709583 
1 1 1    2   13   32 o  134.670   2.5699  2768.72  105.635  2801.42  208.439  2757.41  122.537  135.397   5.0437  134.387   2.9874 1.010391 5.862070 
1 1 1    2   13   33 o  241.935   4.6651  8943.40  344.488  8963.10  510.489  8926.92  466.798  242.030   6.9103  241.592   6.3304 0.4384155 9.371589 
1 1 1    2   13   34 o  298.824   4.8127 13645.77  438.957 13389.82  554.993 14073.37  717.348  295.884   6.1454  303.147   7.7528 -7.263367 9.893029 
1 1 1    2   13   35 o  167.372   5.1823  4282.15  264.743  5032.54  720.362  4164.98  284.664  180.176   13.191  165.041   5.6510 15.13475 14.35016 
1 1 1    2   13   36 o  217.496   6.3896  7238.04  424.172  7091.50  463.262  7998.10  1055.05  215.222   7.0522  226.736   15.335 -11.51436 16.87916 
1 1 1    2   13   37 o  266.532   4.3577 10855.17  354.505 10285.76  595.083 11168.41  441.372  259.121   7.5241  270.263   5.3506 -11.14139 9.232635 
1 1 1    2   13   38 o  103.891   2.1406  1647.70   67.877  1608.65   88.639  1703.07  105.544  102.640   2.8294  105.599   3.2746 -2.959343 4.327642 
1 1 1    2   13   39 o   18.227   6.7698   38.816   50.208   90.495   84.905   11.027   62.260   25.636   8.8888   17.333   7.1843 8.303051 11.42915 
1 1 1    2   13   40 o  187.504   3.2835  5369.81  187.919  5430.30  205.383  5058.85  465.680  188.544   3.5689  181.589   8.4020 6.954590 9.128538 
1 1 1    2   13   41 o  158.536   2.7202  3837.84  131.625  3817.29  187.004  3858.01  185.299  158.065   3.8761  158.908   3.8204 -0.8435669 5.442428 
1 1 1    2   13   42 o  186.379   3.3345  5305.85  189.690  5141.54  231.700  5639.83  330.334  183.428   4.1385  192.003   5.6367 -8.574417 6.992858 
1 1 1    2   13   43 o   79.729   2.5492  970.590   62.034  844.511   96.138  1060.53   81.200   74.214   4.2620   83.329   3.1926 -9.114502 5.325184 
1 1 1    2   13   44 o   86.019   3.8126  1130.51  100.100  1134.44  105.275  1093.47  323.236   86.163   4.0030   83.096   13.185 3.066765 13.77902 
1 1 1    2   13   45 o  209.565   5.2526  6717.42  335.977  6126.17  738.718  6871.62  377.252  198.778   12.235  211.900   5.8329 -13.12218 13.55433 
1 1 1    2   13   46 f  344.462   4.8268 18143.97  507.483 18002.00  972.758 18197.06  594.848  342.187   9.3137  344.838   5.6516 -2.650940 10.89433 
1 1 1    2   13   47 o  296.524   4.0413 13438.32  365.763 12898.95  437.926 14682.49  665.116  290.407   4.9406  309.485   7.0411 -19.07794 8.601530 
1 1 1    2   13   48 o  209.335   3.3818  6694.95  216.075  5905.08  300.016  7546.20  311.458  196.471   5.0030  222.143   4.5936 -25.67140 6.791951 
1 1 1    2   13   49 o   76.472   3.2835  893.454   76.641  946.459  120.455  857.400   99.343   78.487   5.0551   74.754   4.3730 3.732773 6.684125 
1 1 1    2   13   50 o  143.684   4.7784  3158.66  209.558  3345.02  446.317  3105.95  237.347  146.904   10.014  142.425   5.4598 4.478729 11.40536 
1 1 1    2   13   51 o  144.518   2.5727  3189.89  113.482  3327.56  175.562  3091.09  148.732  147.527   3.8989  142.218   3.4264 5.308929 5.190505 
1 1 1    2   13   52 o  240.670   3.5305  8854.23  259.340  9290.76  355.219  8355.95  379.509  246.370   4.7238  233.554   5.3238 12.81631 7.117334 
1 1 1    2   13   53 o  150.353   2.7980  3453.94  128.405  3472.31  151.501  3407.08  241.951  150.719   3.2933  149.106   5.3164 1.613708 6.253765 
1 1 1    2   13   54 o  133.812   3.6463  2738.65  148.925  3165.47  217.017  2358.75  204.742  143.730   4.9469  124.022   5.4087 19.70805 7.329778 
1 1 1    2   13   55 o  149.372   3.9613  3415.14  180.601  4007.02  273.321  2956.45  240.611  161.571   5.5423  138.764   5.6810 22.80785 7.936681 
1 1 1    2   13   56 o   41.959   6.4757  277.284   80.264  341.398  435.886  275.033   81.661   51.737   19.785   41.755   6.6290 9.982044 20.86601 
1 1 1    2   13   57 o  119.377   3.9438  2183.18  143.700  2334.54  190.768  1984.63  218.485  123.292   5.0694  113.304   6.3432 9.987991 8.119978 
1 1 1    2   13   58 f   52.275   4.5553  422.572   71.956  546.523  124.217  359.971   88.276   59.039   7.0316   47.930   6.1780 11.10861 9.360049 
1 1 1    2   13   59 o   83.708   6.0717  1087.00  154.075  1092.06  185.928  1075.91  275.268   83.587   7.3629   81.670   11.349 1.916641 13.52857 
1 1 1    2   14    0 o  621.857   37.432 60189.18  7045.80 60189.18  7045.80 60189.18  7045.80  621.857   37.432  621.857   37.432 -0.000000 0.000000 
1 1 1    2   14    1 o  786.703   47.447 97751.16 11339.53   0.0000   0.0000 97751.16 11339.53  ?   ?   786.703   47.447 0.000000 47.44653 
1 1 1    2   14    5 o  605.543   36.445 57212.14  6704.66 57212.14  6704.66   0.0000   0.0000  605.543   36.445  ?   ?  0.000000 36.44539 
1 1 1    2   14    6 o  287.037   18.518 12687.27  1613.68 12687.27  1613.68   0.0000   0.0000  287.037   18.518  ?   ?  0.000000 18.51760 
1 1 1    2   14    7 o  586.106   24.805 52891.84  4437.38 56896.45  6273.49 48882.33  6277.33  604.598   34.135  559.299   36.980 45.29974 50.32669 
1 1 1    2   14    8 f  500.667   30.328 38904.45  4612.74 38904.45  4612.74   0.0000   0.0000  500.667   30.328  ?   ?  0.000000 30.32813 
1 1 1    2   14    9 o  702.794   16.555 75682.88  3551.17 77433.24  3909.27 67420.63  8493.37  710.609   18.024  654.610   42.744 55.99939 46.38829 
1 1 1    2   14   10 o  622.732   25.944 59777.20  4931.19 57441.17  6972.28 62115.20  6975.22  605.933   37.890  630.782   36.384 -24.84906 52.53010 
1 1 1    2   14   11 o  420.567   10.628 27039.56  1364.27 26969.45  1501.09 27372.40  3270.66  419.945   11.711  420.675   25.594 -0.7297058 28.14624 
1 1 1    2   14   12 o  233.778   11.143  8356.41  795.069  8692.29  1124.46  8020.60  1124.33  237.710   15.584  228.218   16.247 9.491287 22.51311 
1 1 1    2   14   13 f  935.044   39.078 136603.91 11152.79 139765.30 15772.89 133442.91 15771.97  933.337   55.620  910.790   57.022 22.54675 79.65630 
1 1 1    2   14   14 o  262.739   17.435 10631.65  1390.26   0.0000   0.0000 10631.65  1390.26  ?   ?   262.739   17.435 0.000000 17.43524 
1 1 1    2   14   15 o  390.049   24.113 23522.34  2856.60   0.0000   0.0000 23522.34  2856.60  ?   ?   390.049   24.113 0.000000 24.11279 
1 1 1    2   14   16 o  184.027   13.777  5213.21  768.252   0.0000   0.0000  5213.21  768.252  ?   ?   184.027   13.777 0.000000 13.77745 
1 1 1    2   14   17 o  525.578   12.031 42258.82  1930.06 42137.03  2302.22 42546.88  3540.48  524.547   14.380  525.861   22.058 -1.313782 26.33141 
1 1 1    2   14   18 o  271.703   6.3899 11274.12  529.917 11151.55  614.390 11630.19  1047.18  270.187   7.4501  275.688   12.445 -5.500275 14.50440 
1 1 1    2   14   19 o  382.919   7.2933 22398.43  852.406 22641.54  1267.68 22197.79  1151.63  384.772   10.794  381.046   9.9019 3.725830 14.64793 
1 1 1    2   14   20 o  388.511   5.9315 23050.66  703.367 23213.76  875.849 22754.42  1180.37  389.813   7.3613  385.767   10.025 4.045319 12.43729 
1 1 1    2   14   21 o  407.961   7.9583 25431.96  990.957 27675.71  1791.71 24443.11  1189.44  425.032   13.811  399.824   9.7467 25.20822 16.90397 
1 1 1    2   14   22 o  443.151   7.2691 30004.73  983.218 29522.88  1391.50 30485.16  1389.46  439.317   10.377  446.437   10.197 -7.120300 14.54880 
1 1 1    2   14   23 o  221.594   6.4692  7501.27  437.550  7883.95  624.384  7131.99  613.343  227.070   9.0090  215.956   9.3051 11.11400 12.95172 
1 1 1    2   14   24 o  178.718   4.5329  4877.12  247.266  4899.05  282.142  4804.48  513.420  179.105   5.1611  176.961   9.5408 2.144409 10.84733 
1 1 1    2   14   25 o  493.571   10.580 37303.35  1593.82 37127.92  2563.52 37413.89  2034.94  491.079   17.103  493.780   13.502 -2.700867 21.79024 
1 1 1    2   14   26 o  376.114   7.5522 21630.71  866.982 21018.16  1228.91 22237.69  1223.31  370.365   10.871  381.007   10.519 -10.64194 15.12730 
1 1 1    2   14   27 o  171.943   3.9832  4514.62  209.041  4707.87  286.402  4294.29  305.809  175.542   5.3454  167.631   5.9770 7.910919 8.018551 
1 1 1    2   14   28 o   48.109   3.5835  355.374   52.243  316.677   79.426  384.884   69.360   45.136   5.9070   49.986   4.5977 -4.849716 7.485419 
1 1 1    2   14   29 o   59.442   2.5010  539.383   45.375  527.277   53.610  569.962   85.202   58.690   3.0028   60.907   4.6175 -2.217041 5.507990 
1 1 1    2   14   30 o   84.918   3.7887  1101.29   98.198  1244.11  258.805  1077.27  106.134   89.570   9.6171   83.981   4.1406 5.589462 10.47060 
1 1 1    2   14   31 f   65.343   3.6029  654.043   71.580  747.167  114.028  593.482   91.955   69.707   5.4016   62.129   4.8886 7.578354 7.285317 
1 1 1    2   14   32 o   62.911   4.1828  607.274   79.860  583.654   86.712  739.259  204.972   61.630   4.6438   68.684   10.077 -7.054409 11.09553 
1 1 1    2   14   33 o  278.910   5.2384 11891.32  445.942 12347.98  1078.71 11797.19  489.751  283.129   12.483  277.755   5.7769 5.374298 13.75454 
1 1 1    2   14   34 o  185.750   3.7849  5270.33  214.585  5230.92  243.152  5409.14  456.286  185.030   4.3054  187.891   7.9563 -2.861496 9.046554 
1 1 1    2   14   35 f  197.531   3.3753  5959.16  203.498  6445.96  328.445  5655.86  259.255  205.332   5.2407  192.387   4.4150 12.94487 6.852542 
1 1 1    2   14   36 o  214.510   5.4525  7036.74  356.992  6969.03  412.079  7240.41  714.713  213.400   6.3266  216.946   10.794 -3.545715 12.51103 
1 1 1    2   14   37 o   30.107   8.6191  142.286   83.233  149.962   92.421  109.332  191.490   31.019   9.1414   33.562   13.039 -2.543413 15.92446 
1 1 1    2   14   38 f  248.369   3.7855  9424.20  286.970  9202.62  406.784  9643.72  404.894  245.294   5.4333  251.119   5.2826 -5.825058 7.577988 
1 1 1    2   14   39 o  281.718   7.0493 12157.78  606.148 10511.69  1453.40 12504.38  666.917  258.477   18.546  285.610   7.6503 -27.13266 20.06158 
1 1 1    2   14   40 o  255.350   3.7440  9961.64  291.800  9902.52  412.189 10021.03  413.148  254.453   5.3073  255.973   5.2880 -1.520096 7.492043 
1 1 1    2   14   41 o  529.943   9.6519 43171.41  1561.20 43577.61  2209.23 42766.21  2206.51  530.520   13.643  525.495   13.757 5.025146 19.37509 
1 1 1    2   14   42 o   33.274   4.2140  171.895   41.838  256.334   71.615  128.146   51.549   40.495   5.9735   28.392   6.1281 12.10290 8.557776 
1 1 1    2   14   43 o  103.325   4.5657  1632.03  143.991  1635.20  172.471  1624.73  261.589  103.242   5.4930  102.547   8.4323 0.6950150 10.06363 
1 1 1    2   14   44 o  172.634   3.9205  4554.01  206.580  4213.28  293.123  4890.24  291.183  165.925   5.7879  178.796   5.3357 -12.87099 7.872055 
1 1 1    2   14   45 o   66.726   3.9408  682.758   79.903  690.178  120.527  676.940  106.726   66.882   5.9668   66.308   5.3181 0.5745926 7.992809 
1 1 1    2   14   46 o  179.342   2.9466  4912.42  161.295  4955.62  184.903  4774.94  329.889  180.107   3.3635  176.582   6.1207 3.524857 6.984051 
1 1 1    2   14   47 o  133.030   3.0291  2703.18  122.991  2563.35  196.858  2792.70  157.518  129.445   4.9825  135.180   3.8177 -5.734116 6.276982 
1 1 1    2   14   48 o  127.000   3.3064  2464.28  128.167  2642.15  184.762  2299.30  177.941  131.433   4.6056  122.601   4.7552 8.832695 6.619947 
1 1 1    2   14   49 o   71.317   4.1371  780.289   89.668  813.584  244.408  775.110   96.389   71.607   11.578   71.048   4.4676 0.5596313 12.40974 
1 1 1    2   14   50 o  140.409   2.2856  3010.62   97.950  2883.62  120.546  3257.43  168.042  137.390   2.8746  145.971   3.7717 -8.580673 4.742261 
1 1 1    2   14   51 o  198.869   2.9382  6042.62  178.348  6297.28  229.878  5657.55  282.675  202.946   3.7111  192.240   4.8175 10.70609 6.081177 
1 1 1    2   14   52 o  170.309   3.3833  4434.04  175.874  4429.25  222.860  4441.96  286.354  170.128   4.2918  170.221   5.5115 -0.9281921E-01 6.985457 
1 1 1    2   14   53 o  135.816   2.4702  2817.95  102.400  2902.58  164.939  2764.88  130.622  137.734   3.9234  134.486   3.1822 3.247986 5.051665 
1 1 1    2   14   54 o  188.847   2.5945  5449.52  149.548  5989.61  268.190  5205.81  180.157  197.741   4.4435  184.514   3.1989 13.22617 5.475229 
1 1 1    2   14   55 o   84.516   5.6362  1102.37  144.559  1124.89  169.195  1041.49  278.201   85.213   6.5555   80.683   11.633 4.530556 13.35304 
1 1 1    2   14   56 o  112.060   3.0345  1920.77  103.791  1989.81  129.610  1797.35  173.292  113.991   3.7252  108.157   5.2494 5.834511 6.436866 
1 1 1    2   14   57 o  103.156   4.8310  1634.49  152.107  1746.01  204.007  1494.88  228.253  106.192   6.3227   97.880   7.7024 8.311806 9.965170 
1 1 1    2   14   58 o  230.346   4.6713  8152.01  328.422  8152.01  328.422   0.0000   0.0000  230.346   4.6713  ?   ?  0.000000 4.671267 
1 1 1    2   15    0 o  565.532   34.197 49738.56  5853.47 49738.56  5853.47 49738.56  5853.47  565.532   34.197  565.532   34.197 0.000000 0.000000 
1 1 1    2   15    1 o  511.296   21.597 40179.45  3370.47 41595.24  4765.96 38762.96  4767.16  517.616   30.299  499.296   31.442 18.32062 43.66462 
1 1 1    2   15    2 o  494.578   30.015 37975.34  4509.56 37975.34  4509.56   0.0000   0.0000  494.578   30.015  ?   ?  0.000000 30.01519 
1 1 1    2   15    6 o  444.998   27.166 30676.99  3672.11 30676.99  3672.11   0.0000   0.0000  444.998   27.166  ?   ?  0.000000 27.16605 
1 1 1    2   15    7 o   38.333   5.2800  228.585   60.138  228.585   60.138   0.0000   0.0000   38.333   5.2800  ?   ?  0.000000 5.279964 
1 1 1    2   15    8 o  456.025   27.805 32239.41  3851.63 32239.41  3851.63   0.0000   0.0000  456.025   27.805  ?   ?  0.000000 27.80474 
1 1 1    2   15    9 o  725.812   17.455 80787.44  3866.95 81653.23  4256.93 76701.05  9248.26  729.337   19.123  697.145   43.684 32.19202 47.68583 
1 1 1    2   15   10 o  522.588   31.661 42499.93  5026.27 42499.93  5026.27   0.0000   0.0000  522.588   31.661  ?   ?  0.000000 31.66090 
1 1 1    2   15   11 o  1005.62   62.159 164584.80 18985.48   0.0000   0.0000 164584.80 18985.48  ?   ?   1005.62   62.159 0.000000 62.15884 
1 1 1    2   15   12 o  924.201   38.328 133529.70 10811.93   0.0000   0.0000 133529.70 10811.93  ?   ?   924.201   38.328 0.000000 38.32831 
1 1 1    2   15   14 o  535.104   14.588 43858.91  2382.68 43858.91  2382.68   0.0000   0.0000  535.104   14.588  ?   ?  0.000000 14.58846 
1 1 1    2   15   15 o  947.699   23.077 138363.41  6675.13 138517.00  7349.30 137639.70 15954.27  947.278   25.419  921.987   56.973 25.29089 62.38601 
1 1 1    2   15   16 o  693.577   29.059 74554.67  6151.67 71732.08  8700.10 77376.85  8699.45  673.248   42.557  700.279   40.879 -27.03058 59.00985 
1 1 1    2   15   17 o  413.353   17.740 26232.92  2238.13 26845.98  3166.90 25621.17  3163.49  416.189   25.047  406.404   25.634 9.785858 35.83949 
1 1 1    2   15   18 o  489.020   20.570 36807.95  3070.27 39107.18  4344.69 34514.36  4339.36  501.339   28.511  470.262   30.395 31.07666 41.67378 
1 1 1    2   15   19 o  368.957   8.4494 20806.80  951.524 20976.27  1031.22 19835.82  2468.37  370.409   9.1212  357.842   22.717 12.56726 24.48015 
1 1 1    2   15   20 o  352.651   7.0020 19000.76  753.672 19723.88  1066.58 18279.60  1065.13  359.109   9.7308  345.683   10.095 13.42673 14.02137 
1 1 1    2   15   21 o  351.095   7.1025 18836.23  761.118 18584.22  800.226 21227.20  2464.81  348.712   7.5185  370.073   21.919 -21.36115 23.17250 
1 1 1    2   15   22 o  144.087   4.4167  3170.12  194.239  3175.54  207.986  3133.09  543.281  144.204   4.7254  142.408   12.630 1.795898 13.48500 
1 1 1    2   15   23 o  432.568   8.2780 28617.91  1092.94 28466.57  1149.21 30050.80  3536.14  431.370   8.7283  438.118   26.569 -6.747803 27.96618 
1 1 1    2   15   24 o  280.668   6.9615 12042.57  596.368 12059.69  646.099 11944.02  1550.08  280.825   7.5378  277.504   18.405 3.321655 19.88893 
1 1 1    2   15   25 o  195.292   4.3458  5824.80  259.045  5801.55  271.998  6051.70  849.570  194.894   4.5725  197.855   14.162 -2.961105 14.88158 
1 1 1    2   15   26 o  192.947   3.9439  5685.41  232.266  5616.45  358.571  5735.26  304.870  191.682   6.1288  193.745   5.1555 -2.063339 8.008838 
1 1 1    2   15   27 o  144.285   2.8944  3178.38  127.466  3398.92  215.000  3058.85  158.284  149.157   4.7226  141.529   3.6642 7.628204 5.977334 
1 1 1    2   15   28 o  300.193   4.8067 13769.02  440.421 13431.63  742.835 13951.91  546.916  296.154   8.2178  302.086   5.9316 -5.932159 10.13495 
1 1 1    2   15   29 o   77.191   3.9485  912.486   92.717  920.525  240.865  911.088  100.457   76.725   10.566   77.108   4.2853 -0.3827286 11.40152 
1 1 1    2   15   30 o  280.287   10.525 12065.11  900.428 12839.85  1552.55 11672.44  1105.31  286.947   17.815  275.201   13.159 11.74582 22.14760 
1 1 1    2   15   31 o  142.702   4.1542  3110.98  180.941  2972.14  372.577  3153.83  206.990  138.953   8.8307  143.660   4.7206 -4.707535 10.01321 
1 1 1    2   15   32 o   22.232   7.0937   73.943   54.298   76.820   59.895   60.675  128.635   22.856   7.4644   26.858   10.612 -4.001947 12.97403 
1 1 1    2   15   33 o   71.057   2.5120  770.878   54.481  816.928   93.659  747.328   66.978   73.000   4.2215   69.955   3.1369 3.044289 5.259394 
1 1 1    2   15   34 o  164.279   4.2328  4123.67  212.238  3890.21  469.199  4183.73  237.976  158.853   9.7239  165.447   4.7126 -6.593842 10.80567 
1 1 1    2   15   35 o  212.087   3.6288  6871.05  234.906  6831.89  396.578  6892.22  291.558  211.296   6.1492  212.360   4.4982 -1.063660 7.618810 
1 1 1    2   15   36 o  208.698   4.4631  6656.78  284.294  6819.71  388.633  6469.23  416.966  211.109   6.0314  205.553   6.6460 5.555206 8.974772 
1 1 1    2   15   37 o  161.675   2.7751  3991.41  136.943  3952.71  165.809  4074.44  242.887  160.867   3.3770  163.248   4.8746 -2.381683 5.930049 
1 1 1    2   15   38 o  337.379   8.8097 17475.46  907.187 17465.74  995.477 17523.10  2203.40  337.078   9.6757  332.120   21.858 4.957916 23.90401 
1 1 1    2   15   39 f   83.282   4.9415  1064.24  125.048  1037.64  375.709  1067.55  132.609   80.326   15.887   83.384   5.2370 -3.057617 16.72784 
1 1 1    2   15   40 o   68.838   2.9546  723.675   62.078  727.537   78.766  717.342  100.858   68.904   3.7594   68.324   4.8682 0.5807953 6.150850 
1 1 1    2   15   41 o  244.480   5.0924  9140.65  380.003  9137.39  398.724  9172.91  1254.85  244.411   5.3449  241.777   17.115 2.633514 17.93013 
1 1 1    2   15   42 o  286.185   4.9104 12523.91  428.928 12565.57  526.449 12441.64  739.782  286.518   6.0199  284.680   8.5139 1.838379 10.42716 
1 1 1    2   15   43 o  177.899   4.0945  4836.75  222.327  4775.66  335.253  4884.71  297.039  176.608   6.2194  178.681   5.4465 -2.073303 8.267081 
1 1 1    2   15   44 f  152.282   5.0620  3547.08  235.281  3534.34  275.128  3581.76  453.903  151.944   5.9325  152.239   9.8207 -0.2950134 11.47349 
1 1 1    2   15   45 o  127.503   3.0380  2483.15  118.229  2411.53  146.425  2617.32  200.406  125.619   3.8189  130.804   5.0196 -5.185204 6.307212 
1 1 1    2   15   46 o   69.578   3.4073  739.661   72.361  693.155  241.578  744.244   75.843   65.841   12.478   69.698   3.5772 -3.856293 12.98038 
1 1 1    2   15   47 o  176.370   5.3915  4761.91  290.238  4694.14  342.477  4934.62  546.745  174.998   6.4118  178.578   10.072 -3.579941 11.93971 
1 1 1    2   15   48 o  190.171   4.0409  5529.59  234.551  5675.39  899.352  5518.95  242.959  189.582   15.683  189.975   4.1901 -0.3926697 16.23323 
1 1 1    2   15   49 o   81.446   3.6115  1014.01   89.779  1059.60  143.762  984.858  114.951   82.962   5.7122   80.083   4.7237 2.878983 7.412364 
1 1 1    2   15   50 o  125.870   3.4782  2421.88  133.626  2374.39  185.440  2473.18  192.720  124.530   4.8788  127.086   4.9683 -2.556389 6.963274 
1 1 1    2   15   51 o  105.038   4.8633  1689.82  155.916  1680.10  164.011  1781.00  502.494  104.715   5.1316  104.874   16.222 -0.1593933 17.01399 
1 1 1    2   15   52 o  236.314   2.9165  8534.82  210.363  9114.68  303.091  7995.87  292.202  244.043   4.0690  228.556   4.1886 15.48729 5.839666 
1 1 1    2   15   53 o  223.871   3.0998  7662.77  211.810  8376.56  460.284  7471.02  238.570  233.346   6.4626  220.991   3.5369 12.35553 7.367163 
1 1 1    2   15   54 o  256.341   3.4072 10053.78  266.584 11013.29  492.381  9655.88  317.078  267.570   6.0290  251.065   4.1377 16.50436 7.312319 
1 1 1    2   15   55 o   28.010   7.4250  125.675   64.505   4.0022  131.471  164.253   74.028   23.995   10.220   31.944   7.6860 -7.948853 12.78772 
1 1 1    2   15   56 o   83.231   6.5873  1076.49  165.977  1097.36  169.958  646.671  771.297   84.017   6.6829   66.209   26.040 17.80749 26.88407 
1 1 1    2   15   57 o   96.813   6.3057  1454.00  185.315  1454.00  185.315   0.0000   0.0000   96.813   6.3057  ?   ?  0.000000 6.305717 
1 1 1    2   16    0 o  1567.44   98.356 406389.91 46630.84 406389.91 46630.84 406389.91 46630.84  1567.44   98.356  1567.44   98.356 0.000000 0.000000 
1 1 1    2   16    1 o  1411.78   58.875 321616.19 25369.46 377468.19 35879.68 265775.59 35876.00  1496.17   78.847  1226.20   96.641 269.9698 124.7253 
1 1 1    2   16    2 o  986.023   60.863 157963.50 18227.50 157963.50 18227.50   0.0000   0.0000  986.023   60.863  ?   ?  0.000000 60.86274 
1 1 1    2   16    3 o  217.201   15.313  7263.18  1008.66  7263.18  1008.66   0.0000   0.0000  217.201   15.313  ?   ?  0.000000 15.31280 
1 1 1    2   16    9 o  363.416   22.818 20417.53  2518.18   0.0000   0.0000 20417.53  2518.18  ?   ?   363.416   22.818 0.000000 22.81789 
1 1 1    2   16   10 o  492.627   20.799 37322.43  3127.43   0.0000   0.0000 37322.43  3127.43  ?   ?   492.627   20.799 0.000000 20.79950 
1 1 1    2   16   11 o  669.969   14.831 68776.66  3032.81 69888.32  3618.39 66151.35  5560.57  674.816   17.568  653.748   27.867 21.06763 32.94231 
1 1 1    2   16   12 o  344.910   15.289 18234.88  1609.50 19322.05  2272.67 17140.97  2279.70  353.721   21.147  332.803   22.576 20.91837 30.93354 
1 1 1    2   16   13 o  593.174   20.278 54126.19  3671.27 55319.40  6357.75 53529.28  4496.76  593.980   35.226  588.675   25.027 5.305664 43.21090 
1 1 1    2   16   14 o  135.807   3.4448  2815.37  142.793  3439.29  210.890  2287.18  194.039  150.089   4.6035  122.388   5.1944 27.70068 6.940764 
1 1 1    2   16   15 o  350.268   8.2791 18750.72  885.122 18824.19  1054.15 18575.10  1629.71  350.849   9.8438  348.011   15.343 2.837402 18.22899 
1 1 1    2   16   16 o  655.928   22.348 66392.95  4474.13 68290.66  7749.26 65444.04  5479.72  656.931   38.820  649.324   27.649 7.606567 47.65992 
1 1 1    2   16   17 o  540.007   12.171 44660.49  2006.08 41995.80  5206.29 45125.09  2173.94  516.826   33.179  542.652   13.125 -25.82562 35.68113 
1 1 1    2   16   18 o  453.931   15.770 31648.59  2184.97 32460.08  3786.25 31243.42  2675.40  456.031   27.328  450.262   19.467 5.769806 33.55268 
1 1 1    2   16   19 o  120.439   6.8115  2223.69  249.369  2612.14  449.194  2050.64  299.812  130.092   11.429  115.481   8.5670 14.61050 14.28304 
1 1 1    2   16   20 o  214.427   10.258  7040.02  671.385  8572.43  957.190  5556.00  941.955  235.977   13.344  189.304   16.466 46.67332 21.19467 
1 1 1    2   16   21 o   85.880   4.6854  1129.78  122.352  1129.78  122.352   0.0000   0.0000   85.880   4.6854  ?   ?  0.000000 4.685382 
1 1 1    2   16   22 o  446.812   8.4806 30551.25  1156.56 30468.08  1216.16 31338.00  3740.41  446.136   8.9312  445.912   27.618 0.2240906 29.02637 
1 1 1    2   16   23 o  463.982   9.9072 32989.92  1403.04 33259.29  1628.72 32214.95  2762.63  465.547   11.462  455.674   19.863 9.873291 22.93318 
1 1 1    2   16   24 o  132.687   2.7096  2687.76  109.737  2826.90  185.207  2612.49  136.223  136.039   4.4604  130.803   3.4121 5.236023 5.615837 
1 1 1    2   16   25 o  527.534   7.7775 42597.87  1252.30 43482.91  2104.77 42112.86  1558.10  531.571   12.973  524.076   9.7405 7.494507 16.22238 
1 1 1    2   16   26 o  166.264   4.1891  4222.66  212.588  4032.63  481.498  4268.67  236.932  161.854   9.7927  167.150   4.6441 -5.295685 10.83812 
1 1 1    2   16   27 o  119.711   3.3675  2188.42  123.045  2332.94  181.347  2065.13  167.500  123.561   4.8085  116.255   4.7205 7.305443 6.738315 
1 1 1    2   16   28 o  299.709   7.3151 13750.92  669.168 13469.73  1739.66 13799.75  724.944  293.251   19.548  300.162   7.9128 -6.910889 21.08887 
1 1 1    2   16   29 o  149.857   6.4638  3435.87  295.652  3561.64  411.902  3302.22  424.618  152.145   8.9088  146.387   9.5558 5.757614 13.06442 
1 1 1    2   16   30 o  125.770   3.4230  2415.82  131.400  2492.22  183.568  2335.54  188.173  127.701   4.7096  123.612   4.9875 4.089584 6.859692 
1 1 1    2   16   31 o   85.480   3.1431  1115.83   82.005  1119.97   87.507  1085.98  234.957   85.635   3.3479   83.601   9.3690 2.033768 9.949247 
1 1 1    2   16   32 o  326.324   6.7573 16302.17  673.040 16769.59  765.773 14715.26  1410.98  330.835   7.5835  308.146   15.002 22.68854 16.80978 
1 1 1    2   16   33 f   54.413   3.3361  453.902   55.138  404.877   80.802  496.625   75.430   51.190   5.2456   56.838   4.3818 -5.647728 6.834929 
1 1 1    2   16   34 o  168.753   3.2026  4349.32  164.959  4282.06  267.857  4390.41  209.374  167.337   5.2444  169.510   4.0468 -2.173462 6.624204 
1 1 1    2   16   35 o  167.064   3.1251  4262.62  159.355  4264.23  260.061  4261.65  201.646  166.992   5.1022  167.008   3.9558 -0.1557922E-01 6.456115 
1 1 1    2   16   36 o  355.728   5.6286 19359.43  611.136 19919.33  995.151 19020.42  774.356  360.133   9.0533  352.324   7.2008 7.809387 11.56783 
1 1 1    2   16   37 o  291.644   4.9657 13005.85  442.025 13669.80  765.261 12673.42  541.491  298.456   8.4007  287.741   6.1656 10.71451 10.42042 
1 1 1    2   16   38 o  284.948   5.1801 12417.93  450.526 12364.78  1158.70 12427.40  489.004  282.612   13.433  285.003   5.6214 -2.390411 14.56148 
1 1 1    2   16   39 o  122.275   4.0579  2284.74  151.447  2287.57  388.916  2284.23  164.425  121.433   10.599  122.247   4.4067 -0.8132858 11.47884 
1 1 1    2   16   40 o  114.282   4.6852  1996.74  163.426  2133.26  610.061  1986.19  169.626  115.478   17.887  113.971   4.8762 1.507469 18.53950 
1 1 1    2   16   41 o   99.725   4.5103  1520.34  137.285  1022.88  557.987  1552.39  141.639   79.075   22.206  100.767   4.6052 -21.69240 22.67813 
1 1 1    2   16   42 o  200.589   8.7805  6181.87  537.580  6215.17  670.184  6121.78  900.259  200.456   10.996  197.803   15.024 2.652313 18.61753 
1 1 1    2   16   43 o  145.057   4.5435  3217.27  201.164  3204.74  211.775  3333.00  643.590  144.759   4.7930  145.660   14.676 -0.9006500 15.43891 
1 1 1    2   16   44 o  310.589   5.6103 14766.60  531.855 15714.59  698.495 13458.67  820.450  320.101   7.1492  295.787   9.0878 24.31381 11.56282 
1 1 1    2   16   45 o  316.978   5.9990 15390.50  580.393 14617.36  1887.70 15471.21  609.938  302.355   20.577  317.750   6.2890 -15.39554 21.51699 
1 1 1    2   16   46 o  112.067   4.4846  1920.91  153.399  1920.73  174.894  1921.48  319.373  112.025   5.1150  111.263   9.4953 0.7616882 10.78532 
1 1 1    2   16   47 o  231.088   3.3886  8160.81  239.006  8130.95  289.589  8224.61  423.280  230.590   4.1146  231.654   5.9865 -1.064407 7.264129 
1 1 1    2   16   48 o  209.850   4.1845  6735.79  268.019  6433.40  367.271  7080.29  392.009  204.861   5.8737  214.897   5.9765 -10.03622 8.379667 
1 1 1    2   16   49 o   74.672   3.3892  852.341   77.246  889.888  102.895  803.852  116.931   76.126   4.4477   72.235   5.3414 3.890694 6.950775 
1 1 1    2   16   50 o  111.029   2.4974  1883.16   84.633  2058.22  104.331  1546.28  144.730  116.053   2.9454  100.483   4.7190 15.57011 5.562725 
1 1 1    2   16   51 o   43.417   4.7639  292.255   62.093  295.334   93.498  289.825   83.052   43.202   7.3541   42.939   6.5439 0.2627907 9.844069 
1 1 1    2   16   52 o  129.921   4.6952  2587.27  186.186  2954.84  792.269  2565.78  191.551  132.754   20.189  129.362   4.8513 3.391769 20.76371 
1 1 1    2   16   53 o  233.959   4.4390  8390.66  316.985  8888.18  842.746  8308.67  342.108  237.738   11.614  232.722   4.8162 5.015564 12.57302 
1 1 1    2   16   54 o   82.003   4.6967  1035.35  117.065  936.449  154.674  1167.96  179.111   77.634   6.5897   86.710   6.8227 -9.075371 9.485486 
1 1 1    2   16   55 o   43.765   4.1168  296.282   54.346  295.447   58.305  301.811  150.040   43.655   4.4374   42.918   11.299 0.7366142 12.13890 
1 1 1    2   16   56 o   88.005   7.0320  1207.74  187.309  1207.74  187.309   0.0000   0.0000   88.005   7.0320  ?   ?  0.000000 7.031954 
1 1 1    2   17    1 o  468.997   19.743 33812.50  2826.20 31180.88  3994.22 36451.05  3999.48  447.494   29.407  484.669   27.145 -37.17453 40.02042 
1 1 1    2   17    7 o  377.391   23.633 22060.18  2708.55   0.0000   0.0000 22060.18  2708.55  ?   ?   377.391   23.633 0.000000 23.63323 
1 1 1    2   17    9 o  268.065   17.929 11088.37  1458.52   0.0000   0.0000 11088.37  1458.52  ?   ?   268.065   17.929 0.000000 17.92946 
1 1 1    2   17   10 o  161.823   5.6089  3999.07  277.035  3999.07  277.035   0.0000   0.0000  161.823   5.6089  ?   ?  0.000000 5.608920 
1 1 1    2   17   11 o  353.092   22.169 19308.70  2377.12 19308.70  2377.12   0.0000   0.0000  353.092   22.169  ?   ?  0.000000 22.16948 
1 1 1    2   17   12 o  248.181   11.646  9429.65  882.204  9007.05  1237.52  9866.34  1257.98  241.558   16.891  252.953   16.382 -11.39560 23.53006 
1 1 1    2   17   13 o   72.260   13.531  826.285  287.474  826.285  287.474   0.0000   0.0000   72.260   13.531  ?   ?  0.000000 13.53146 
1 1 1    2   17   14 o  211.758   6.1055  6850.01  394.616  6815.36  430.801  7030.68  983.675  211.202   6.6829  213.463   15.197 -2.261078 16.60151 
1 1 1    2   17   15 o  116.500   3.3426  2071.92  118.856  2353.01  174.925  1830.85  161.995  124.133   4.6169  109.494   4.8473 14.63962 6.694129 
1 1 1    2   17   16 f  387.023   13.654 22988.95  1612.98 23520.48  2794.78 22723.48  1975.12  388.593   23.676  384.216   16.842 4.376953 29.05552 
1 1 1    2   17   17 o  168.178   7.5508  4324.58  387.595  4885.85  674.286  4047.61  473.671  178.038   12.487  162.327   9.6029 15.71022 15.75283 
1 1 1    2   17   18 o   61.251   14.573  599.962  268.483  599.962  268.483   0.0000   0.0000   61.251   14.573  ?   ?  0.000000 14.57269 
1 1 1    2   17   19 o  314.689   20.266 15416.20  1936.24 15416.20  1936.24   0.0000   0.0000  314.689   20.266  ?   ?  0.000000 20.26637 
1 1 1    2   17   20 o  341.523   21.777 18227.98  2258.24 18227.98  2258.24   0.0000   0.0000  341.523   21.777  ?   ?  0.000000 21.77723 
1 1 1    2   17   21 o  167.054   9.3397  4289.20  474.310  4237.35  675.349  4339.67  666.294  165.403   13.495  167.464   13.141 -2.060379 18.83608 
1 1 1    2   17   22 o  447.430   9.5302 30688.54  1301.50 30893.18  1511.40 30101.46  2559.97  448.579   11.039  440.203   19.053 8.376160 22.01992 
1 1 1    2   17   23 o  354.367   6.4570 19206.04  698.391 19033.03  762.115 20112.72  1744.67  352.690   7.0796  360.672   15.848 -7.981873 17.35778 
1 1 1    2   17   24 o  237.090   11.052  8636.01  799.782  9733.98  1172.53  7680.71  1093.70  250.470   15.412  222.171   16.241 28.29964 22.38994 
1 1 1    2   17   25 o  424.722   10.140 27691.20  1314.48 29805.55  3416.03 27323.71  1424.14  432.974   25.969  421.659   11.066 11.31512 28.22821 
1 1 1    2   17   26 o  397.854   10.043 24301.72  1219.57 27718.44  3170.50 23708.38  1321.23  417.821   24.975  392.728   11.022 25.09341 27.29951 
1 1 1    2   17   27 o  219.606   4.1945  7367.97  281.155  6956.81  715.140  7443.14  305.777  212.419   11.068  220.702   4.5392 -8.283752 11.96307 
1 1 1    2   17   28 o  181.029   4.9130  5009.10  271.463  5408.34  548.814  4879.79  312.349  187.449   9.6248  178.627   5.7290 8.822327 11.20078 
1 1 1    2   17   29 o   84.246   3.1985  1083.89   82.245  1089.99   87.501  1037.64  240.926   84.479   3.3935   81.608   9.8732 2.871468 10.44014 
1 1 1    2   17   30 o  101.076   3.8106  1560.72  117.560  1528.16  136.759  1652.89  230.086   99.997   4.4808  103.621   7.3220 -3.624329 8.584210 
1 1 1    2   17   31 o  145.421   3.2094  3229.70  142.453  3236.15  201.428  3223.25  201.490  145.512   4.5353  145.221   4.5458 0.2908020 6.421283 
1 1 1    2   17   32 o  196.271   3.2915  5883.70  197.183  6078.48  253.324  5584.25  314.091  199.445   4.1614  191.081   5.3854 8.363449 6.805869 
1 1 1    2   17   33 o   14.221   5.9792   3.4040   44.043 -99.8665   81.172   46.493   52.433   14.445   6.8510   19.206   6.9533 -4.760891 9.761358 
1 1 1    2   17   34 o   88.547   2.7310  1197.25   73.810  1148.97  124.557  1223.38   91.632   86.564   4.7322   89.494   3.3546 -2.930725 5.800579 
1 1 1    2   17   35 o  204.460   4.4149  6389.70  275.513  6084.49  408.236  6645.00  373.364  199.315   6.7105  208.381   5.8703 -9.065994 8.915771 
1 1 1    2   17   36 o  315.563   5.0861 15228.75  489.875 15373.33  800.017 15142.01  619.622  316.513   8.2812  314.462   6.4557 2.050446 10.50015 
1 1 1    2   17   37 o  100.793   2.4269  1551.15   74.662  1509.35  146.947  1565.70   86.685   99.354   4.8457  101.256   2.8048 -1.901764 5.598920 
1 1 1    2   17   38 o   90.217   3.3667  1243.28   92.707  1175.94  133.750  1305.54  128.616   87.546   5.0265   92.413   4.5598 -4.866432 6.786556 
1 1 1    2   17   39 o  159.776   3.7178  3900.45  181.309  3503.62  263.567  4256.92  249.805  151.311   5.7069  166.846   4.9053 -15.53459 7.525389 
1 1 1    2   17   40 o   28.009   6.3274  124.918   52.817  211.624  121.865  104.864   58.607   36.611   10.411   25.787   7.1808 10.82425 12.64755 
1 1 1    2   17   41 f  187.447   4.2370  5370.95  242.414  5047.23  347.193  5678.87  338.618  181.536   6.2660  192.613   5.7598 -11.07738 8.511073 
1 1 1    2   17   42 o  192.940   4.3474  5691.33  256.014  5693.93  269.133  5666.52  830.128  192.966   4.5695  190.313   14.397 2.653641 15.10520 
1 1 1    2   17   43 o  224.909   4.5780  7735.98  314.267  8468.78  427.877  6877.60  463.090  235.148   5.9616  211.741   7.1654 23.40681 9.321156 
1 1 1    2   17   44 o  101.324   3.2015  1568.52   99.010  1172.56  358.718  1601.17  103.011   85.665   14.218  102.370   3.2968 -16.70529 14.59515 
1 1 1    2   17   45 o   67.714   2.9070  700.432   60.082  714.671   74.457  673.852  101.725   68.288   3.5848   66.158   5.0763 2.129684 6.214496 
1 1 1    2   17   46 o  156.150   3.1333  3725.63  149.334  3874.48  186.901  3462.84  248.338  159.190   3.8466  150.361   5.4112 8.828659 6.639072 
1 1 1    2   17   47 o  110.533   2.5127  1866.11   84.772  1934.94  121.006  1799.77  118.797  112.506   3.5238  108.502   3.5872 4.004166 5.028408 
1 1 1    2   17   48 o  141.518   3.0503  3060.59  131.754  3239.76  213.401  2950.22  167.488  145.453   4.8068  138.878   3.9512 6.574890 6.222355 
1 1 1    2   17   49 o   94.408   2.9462  1362.13   84.897  1421.22  156.176  1337.34  101.146   96.131   5.3438   93.515   3.5437 2.615982 6.412004 
1 1 1    2   17   50 o   61.719   5.4103  588.857  100.891  655.441  369.224  583.485  104.883   62.846   18.201   61.397   5.6605 1.448692 19.06057 
1 1 1    2   17   51 o  160.558   3.2983  3942.99  161.636  4277.35  305.997  3813.59  190.360  166.793   6.0107  157.824   3.9517 8.968658 7.193349 
1 1 1    2   17   52 o   45.074   3.3004  312.495   45.089  293.890   60.386  335.937   67.785   43.534   4.6149   46.542   4.8425 -3.008312 6.689353 
1 1 1    2   17   53 o   62.234   2.9866  592.462   56.731  671.533   75.161  487.769   86.485   66.108   3.7403   56.115   5.1054 9.993279 6.328873 
1 1 1    2   17   54 o   66.776   3.7136  685.364   75.390  903.476  138.232  593.018   89.945   76.314   5.9825   61.945   4.7946 14.36889 7.666701 
1 1 1    2   17   55 f  150.286   10.403  3583.24  474.266  3583.24  474.266   0.0000   0.0000  150.286   10.403  ?   ?  0.000000 10.40315 
1 1 1    2   18    2 o  458.291   28.125 32761.11  3915.16 32761.11  3915.16   0.0000   0.0000  458.291   28.125  ?   ?  0.000000 28.12523 
1 1 1    2   18    3 o  397.519   24.670 24552.69  2978.50 24552.69  2978.50   0.0000   0.0000  397.519   24.670  ?   ?  0.000000 24.67015 
1 1 1    2   18    4 o  284.267   18.584 12485.93  1603.59 12485.93  1603.59   0.0000   0.0000  284.267   18.584  ?   ?  0.000000 18.58438 
1 1 1    2   18    5 o  366.561   22.939 20848.01  2553.54 20848.01  2553.54   0.0000   0.0000  366.561   22.939  ?   ?  0.000000 22.93878 
1 1 1    2   18    6 o  407.263   25.210 25809.63  3118.39 25809.63  3118.39   0.0000   0.0000  407.263   25.210  ?   ?  0.000000 25.21034 
1 1 1    2   18    7 f  213.567   8.7968  6974.62  573.425  3659.92  777.906 10919.07  848.589  153.390   16.896  267.112   10.408 -113.7224 19.84443 
1 1 1    2   18    8 o  504.268   30.941 39937.98  4739.21   0.0000   0.0000 39937.98  4739.21  ?   ?   504.268   30.941 0.000000 30.94079 
1 1 1    2   18    9 o  598.218   36.726 56855.93  6673.34   0.0000   0.0000 56855.93  6673.34  ?   ?   598.218   36.726 0.000000 36.72590 
1 1 1    2   18   10 o   32.781   14.264 -48.4927  266.748   0.0000   0.0000 -48.4927  266.748  ?   ?    32.781   14.264 0.000000 14.26372 
1 1 1    2   18   11 o  280.238   12.866 12046.36  1100.52 12186.38  1550.71 11904.28  1562.09  280.577   18.206  277.217   18.569 3.359772 26.00500 
1 1 1    2   18   12 o  381.702   10.701 22318.16  1246.68 22318.16  1246.68   0.0000   0.0000  381.702   10.701  ?   ?  0.000000 10.70068 
1 1 1    2   18   13 o  283.566   7.4975 12295.41  648.919 12409.45  711.910 11735.15  1577.88  284.824   8.1890  274.969   18.916 9.855316 20.61222 
1 1 1    2   18   14 o  212.153   8.6085  6887.76  557.432  7195.94  963.073  6732.49  683.574  215.791   14.710  209.317   10.736 6.473679 18.21076 
1 1 1    2   18   15 o   97.555   8.3520  1466.99  246.290  1432.19  348.385  1501.76  348.227   95.836   12.186   98.226   11.855 -2.389610 17.00060 
1 1 1    2   18   16 o   70.838   4.0327  768.809   86.831  453.160  264.182  807.038   91.939   53.602   15.359   72.574   4.1680 -18.97140 15.91402 
1 1 1    2   18   17 o   30.802   11.500  109.512  145.246  156.863  209.174   65.424  201.840   36.876   13.794   32.348   13.118 4.527504 19.03525 
1 1 1    2   18   18 o  448.051   19.295 31183.07  2638.70 31866.19  3732.76 30500.74  3730.60  448.205   27.418  438.082   28.047 10.12357 39.22223 
1 1 1    2   18   19 o  496.435   17.287 38181.20  2619.35 37178.95  4537.37 38682.14  3207.85  481.078   31.067  497.858   21.110 -16.77924 37.56052 
1 1 1    2   18   20 o  130.090   4.9132  2586.05  195.087  2549.42  212.794  2779.09  488.489  129.149   5.3982  133.893   12.083 -4.744415 13.23430 
1 1 1    2   18   21 o   95.719   11.010  1425.85  315.810   0.0000   0.0000  1425.85  315.810  ?   ?    95.719   11.010 0.000000 11.01016 
1 1 1    2   18   22 o  313.050   20.292 15370.00  1928.44   0.0000   0.0000 15370.00  1928.44  ?   ?   313.050   20.292 0.000000 20.29179 
1 1 1    2   18   23 f  129.246   8.6222  2571.89  338.186  2704.24  490.455  2451.92  466.945  131.960   12.320  125.595   12.340 6.364388 17.43700 
1 1 1    2   18   24 o  188.994   6.9374  5467.35  400.186  5554.09  573.314  5384.92  558.859  189.937   9.9237  187.031   9.8242 2.906464 13.96405 
1 1 1    2   18   25 o   39.239   5.2069  239.500   60.821  454.069  252.396  226.272   62.668   53.400   14.913   38.070   5.5569 15.33043 15.91469 
1 1 1    2   18   26 o  239.352   5.9417  8763.60  434.074  8482.99  494.682  9702.89  905.053  235.394   6.8852  250.984   11.814 -15.58952 13.67425 
1 1 1    2   18   27 o  133.479   3.5693  2721.41  145.415  2897.77  202.207  2532.51  209.269  137.687   4.8116  128.693   5.3276 8.993195 7.178758 
1 1 1    2   18   28 o  323.522   9.1243 16068.42  900.990 16243.69  1164.46 15806.97  1422.24  324.650   11.751  319.412   14.588 5.237701 18.73271 
1 1 1    2   18   29 o  217.424   4.1894  7223.80  278.022  7377.79  393.481  7070.29  392.884  219.592   5.8707  214.956   5.9882 4.635971 8.385923 
1 1 1    2   18   30 o  183.374   3.2600  5135.89  182.464  5163.06  234.324  5094.03  290.818  183.811   4.1767  182.510   5.2206 1.301102 6.685707 
1 1 1    2   18   31 o  164.467   3.0591  4131.07  153.562  4227.99  196.390  3978.58  246.340  166.349   3.8680  161.304   5.0035 5.044327 6.324227 
1 1 1    2   18   32 o  225.038   5.1998  7745.21  357.158  7769.84  404.073  7657.23  763.669  225.329   5.8753  222.595   11.277 2.733307 12.71568 
1 1 1    2   18   33 o   99.987   4.6735  1528.41  142.626  1571.60  410.954  1522.50  152.079   99.798   13.866   99.655   5.0159 0.1437073 14.74526 
1 1 1    2   18   34 o  200.231   4.2753  6127.73  261.286  6118.07  285.336  6177.92  650.243  200.044   4.6732  199.990   10.691 0.5450439E-01 11.66791 
1 1 1    2   18   35 o  191.916   4.1517  5628.90  243.195  5155.89  381.137  5953.74  315.848  183.456   6.8066  197.292   5.2451 -13.83617 8.593059 
1 1 1    2   18   36 o  281.669   4.6529 12129.62  400.019 11325.22  655.861 12606.11  504.776  271.708   7.9085  287.010   5.7621 -15.30258 9.784996 
1 1 1    2   18   37 o  211.975   4.4709  6868.98  289.266  6557.12  412.839  7169.74  405.428  206.908   6.5371  216.404   6.1381 -9.496063 8.967139 
1 1 1    2   18   38 o  202.114   5.4165  6250.14  334.143  6323.52  362.528  5835.88  861.422  203.254   5.8437  193.203   14.719 10.05113 15.83615 
1 1 1    2   18   39 o  168.087   3.1815  4315.74  163.225  4692.14  258.233  4065.29  210.641  175.159   4.8302  163.080   4.2318 12.07950 6.421726 
1 1 1    2   18   40 o  317.037   5.4051 15381.84  523.034 15817.79  712.375 14872.01  770.388  321.141   7.2677  311.202   8.1105 9.938843 10.89037 
1 1 1    2   18   41 o  330.260   10.446 16826.80  1052.98 17364.46  1506.38 16313.07  1472.46  333.695   14.790  323.375   14.918 10.32025 21.00719 
1 1 1    2   18   42 o  247.569   5.2301  9380.66  395.204  9875.99  562.017  8896.16  555.840  253.683   7.2584  240.712   7.5655 12.97052 10.48430 
1 1 1    2   18   43 o  259.644   6.8019 10341.94  539.041 10562.91  592.550  9281.57  1298.04  262.278   7.4020  241.796   17.711 20.48138 19.19594 
1 1 1    2   18   44 o  123.391   4.4144  2329.03  166.255  2684.14  347.275  2223.44  189.367  131.742   8.6851  120.510   5.1483 11.23145 10.09635 
1 1 1    2   18   45 o  105.881   3.1845  1713.17  102.915  1675.37  133.992  1767.54  160.714  104.656   4.1947  107.451   4.9004 -2.795120 6.450485 
1 1 1    2   18   46 o  251.236   4.7098  9663.15  361.159  9642.91  493.720  9686.45  529.688  250.627   6.4541  251.083   6.9117 -0.4565277 9.456594 
1 1 1    2   18   47 o  157.210   3.0937  3777.43  148.450  4425.73  273.886  3507.75  176.648  169.924   5.2808  151.435   3.8218 18.48943 6.518620 
1 1 1    2   18   48 o   99.549   2.6933  1514.28   81.834  1756.49  129.856  1354.72  105.397  107.136   3.9711   94.108   3.6693 13.02870 5.406769 
1 1 1    2   18   49 o   64.441   3.4675  637.044   67.952  774.218  146.184  599.235   76.747   70.579   6.8731   62.433   4.0493 8.145966 7.977234 
1 1 1    2   18   50 o   11.044   4.7218  -1.2090   28.257  -4.0093   40.566   1.4306   39.384   13.037   5.6174   13.282   5.6229 -0.2451773 7.948090 
1 1 1    2   18   51 o  172.458   3.3160  4551.24  174.545  5077.17  296.962  4273.65  215.747  181.755   5.3530  166.973   4.2333 14.78163 6.824634 
1 1 1    2   18   52 o   57.717   6.1262  519.252  106.273  597.539  120.855  252.288  223.175   61.886   6.4951   41.265   14.405 20.62088 15.80193 
1 1 1    2   18   53 o  109.363   21.858  2139.66  704.110  2139.66  704.110   0.0000   0.0000  109.363   21.858  ?   ?  0.000000 21.85802 
1 1 1    2   18   54 o   90.221   4.4658  1250.56  122.978  1250.56  122.978   0.0000   0.0000   90.221   4.4658  ?   ?  0.000000 4.465838 
1 1 1    2   19    1 o  257.220   17.269 10241.33  1347.94 10241.33  1347.94   0.0000   0.0000  257.220   17.269  ?   ?  0.000000 17.26926 
1 1 1    2   19    2 o  172.197   10.063  4555.84  526.590  6293.36  735.492  2728.38  754.286  202.238   11.968  131.535   19.368 70.70303 22.76714 
1 1 1    2   19    3 o  138.640   12.669  2973.44  530.170  2973.44  530.170   0.0000   0.0000  138.640   12.669  ?   ?  0.000000 12.66884 
1 1 1    2   19    4 o  405.581   25.287 25748.93  3114.80 25748.93  3114.80   0.0000   0.0000  405.581   25.287  ?   ?  0.000000 25.28735 
1 1 1    2   19    5 o  252.532   16.990  9874.09  1301.92  9874.09  1301.92   0.0000   0.0000  252.532   16.990  ?   ?  0.000000 16.98965 
1 1 1    2   19    6 o  276.884   12.657 11767.47  1069.62 11491.46  1505.08 12049.12  1520.38  272.194   18.221  278.810   17.962 -6.616821 25.58577 
1 1 1    2   19    7 o  137.415   8.0470  2898.54  336.035  1544.87  448.936  4623.31  506.750   99.046   15.347  173.492   9.6071 -74.44665 18.10572 
1 1 1    2   19    8 o  320.459   20.514 15988.23  1995.93 15988.23  1995.93   0.0000   0.0000  320.459   20.514  ?   ?  0.000000 20.51361 
1 1 1    2   19    9 o  256.061   17.518 10174.59  1360.89   0.0000   0.0000 10174.59  1360.89  ?   ?   256.061   17.518 0.000000 17.51786 
1 1 1    2   19   10 o  278.174   18.394 12025.65  1552.89   0.0000   0.0000 12025.65  1552.89  ?   ?   278.174   18.394 0.000000 18.39351 
1 1 1    2   19   11 o  325.205   20.907 16511.07  2064.25   0.0000   0.0000 16511.07  2064.25  ?   ?   325.205   20.907 0.000000 20.90719 
1 1 1    2   19   12 o  171.913   13.742  4577.37  715.025   0.0000   0.0000  4577.37  715.025  ?   ?   171.913   13.742 0.000000 13.74168 
1 1 1    2   19   13 o  338.514   8.8390 17553.11  913.263 17968.33  2194.71 17466.16  1004.35  338.849   21.329  337.539   9.7486 1.310425 23.45146 
1 1 1    2   19   14 o  118.061   8.3402  2145.06  298.604  2115.94  420.741  2174.60  423.855  116.733   11.978  118.371   11.892 -1.638123 16.87934 
1 1 1    2   19   15 o  304.682   13.730 14305.83  1276.81 13934.21  1805.56 14677.55  1805.81  298.477   19.934  306.562   19.399 -8.085083 27.81501 
1 1 1    2   19   16 o  162.733   5.1060  4047.14  253.612  4157.86  274.872  3413.28  657.663  164.927   5.4604  147.976   14.758 16.95076 15.73572 
1 1 1    2   19   17 o  152.117   5.0068  3536.32  232.462  3550.67  251.349  3451.47  611.241  152.408   5.4032  149.021   13.588 3.387177 14.62270 
1 1 1    2   19   18 o  287.498   7.4243 12654.15  651.493 12927.92  715.579 11327.84  1575.04  290.508   8.0702  268.921   19.318 21.58621 20.93548 
1 1 1    2   19   19 o  184.024   14.003  5257.44  780.638   0.0000   0.0000  5257.44  780.638  ?   ?   184.024   14.003 0.000000 14.00329 
1 1 1    2   19   20 o   31.242   11.450  120.146  142.807   0.0000   0.0000  120.146  142.807  ?   ?    31.242   11.450 0.000000 11.45012 
1 1 1    2   19   21 f  287.786   13.148 12777.53  1154.89   0.0000   0.0000 12777.53  1154.89  ?   ?   287.786   13.148 0.000000 13.14782 
1 1 1    2   19   22 o  202.273   5.2318  6255.13  323.001  6516.61  382.356  5603.54  603.587  206.393   6.0695  190.667   10.411 15.72644 12.05108 
1 1 1    2   19   23 o   45.544   4.9423  320.796   67.601  302.089   74.438  408.818  161.471   44.084   5.6632   50.612   10.783 -6.528866 12.17930 
1 1 1    2   19   24 o   92.503   3.3509  1306.90   94.610  1287.07  103.325  1409.77  235.361   91.792   3.6880   95.549   8.1482 -3.757805 8.943912 
1 1 1    2   19   25 o  120.064   3.3403  2201.70  122.408  2176.73  133.189  2337.48  310.587  119.371   3.6555  123.179   8.3095 -3.807861 9.078031 
1 1 1    2   19   26 o  330.257   6.8551 16703.12  691.010 17568.75  1254.41 16326.01  827.960  337.448   12.179  326.241   8.3148 11.20673 14.74677 
1 1 1    2   19   27 o  166.815   3.6503  4251.04  185.859  4103.98  267.381  4388.54  258.530  163.808   5.3478  169.415   4.9997 -5.607117 7.320924 
1 1 1    2   19   28 o  345.512   5.2253 18257.35  551.050 18284.95  883.701 18239.79  704.877  345.194   8.3874  345.110   6.6917 0.8346558E-01 10.72973 
1 1 1    2   19   29 o  378.710   6.6438 21964.83  767.968 21939.51  1047.12 21994.31  1129.71  377.917   9.0779  378.189   9.7868 -0.2713013 13.34878 
1 1 1    2   19   30 o   77.521   2.8198  917.714   66.720  968.236  108.714  887.187   84.507   79.460   4.5010   76.205   3.6332 3.255264 5.784402 
1 1 1    2   19   31 o  186.655   4.2658  5324.94  243.028  5288.26  264.890  5520.01  610.915  185.984   4.6663  189.018   10.632 -3.034668 11.61120 
1 1 1    2   19   32 o  143.522   3.1551  3146.18  138.212  3175.70  174.037  3095.79  227.425  144.160   3.9553  142.265   5.2375 1.894775 6.563213 
1 1 1    2   19   33 o   48.795   6.1077  370.137   88.971  372.417  103.095  363.483  176.112   48.788   7.1340   47.606   12.096 1.182598 14.04286 
1 1 1    2   19   34 o  204.625   4.8629  6402.81  303.719  6370.54  345.294  6513.13  638.437  204.048   5.5442  205.691   10.169 -1.642914 11.58233 
1 1 1    2   19   35 o  231.266   8.0632  8207.84  569.161  8152.79  819.898  8259.05  790.726  229.486   11.745  231.391   11.196 -1.904755 16.22621 
1 1 1    2   19   36 o   68.759   9.2193  739.611  188.611  815.559  256.494  650.194  278.312   71.682   12.158   63.440   14.666 8.242332 19.05029 
1 1 1    2   19   37 o  242.394   6.1586  8997.73  455.637  9018.43  526.932  8936.40  907.118  242.531   7.1182  239.988   12.426 2.543564 14.32082 
1 1 1    2   19   38 o  203.254   3.0451  6310.29  188.914  6321.54  340.996  6305.31  226.921  203.233   5.4972  203.134   3.6600 0.9867859E-01 6.604085 
1 1 1    2   19   39 o   78.862   3.0865  950.028   74.295  905.913   96.488  1014.27  116.439   76.870   4.1275   81.298   4.7127 -4.427681 6.264664 
1 1 1    2   19   40 o  244.457   4.9429  9143.46  368.808  9776.35  523.037  8517.61  520.122  252.488   6.7869  235.597   7.2330 16.89159 9.918616 
1 1 1    2   19   41 o   62.876   4.2932  607.383   81.900  705.191  228.808  593.010   87.711   66.534   11.694   62.086   4.6626 4.447483 12.58918 
1 1 1    2   19   42 o   37.046   5.7139  215.135   62.531  179.306   82.022  264.861   96.628   33.483   8.1114   40.804   8.0446 -7.321064 11.42406 
1 1 1    2   19   43 o  165.785   3.5285  4201.19  178.544  4208.39  218.614  4186.77  309.410  165.861   4.3183  165.233   6.1351 0.6278839 7.502481 
1 1 1    2   19   44 o   99.600   3.9306  1517.19  119.490  1581.29  170.066  1454.69  167.923  101.429   5.5141   97.250   5.6820 4.179306 7.917696 
1 1 1    2   19   45 o   84.501   4.1142  1092.51  106.113  1098.74  108.787  970.286  481.556   84.737   4.2062   76.036   20.349 8.700607 20.77874 
1 1 1    2   19   46 o  104.047   3.5481  1655.60  112.679  1703.79  127.148  1479.26  243.215  105.524   3.9477   97.565   8.2445 7.958954 9.140903 
1 1 1    2   19   47 o   90.159   3.3268  1243.07   91.549  1444.05  163.073  1150.57  110.627   96.844   5.5399   86.689   4.1810 10.15504 6.940557 
1 1 1    2   19   48 o  156.258   2.7251  3732.00  129.972  4330.81  193.564  3240.33  175.393  168.210   3.7701  145.479   3.9500 22.73117 5.460423 
1 1 1    2   19   49 o   71.476   3.7533  784.374   81.597  1069.59  151.892  668.672   96.742   83.152   6.0256   65.837   4.8484 17.31577 7.733964 
1 1 1    2   19   50 o  148.312   6.8254  3397.95  308.974  3703.89  458.872  3144.20  417.907  153.557   9.8423  141.476   9.7371 12.08078 13.84499 
1 1 1    2   19   51 o   38.429   11.346  238.189  142.260  258.098  195.187  215.630  207.776   40.735   13.483   38.844   13.868 1.891674 19.34249 
1 1 1    2   19   52 o   33.913   5.6043  181.840   55.983  181.840   55.983   0.0000   0.0000   33.913   5.6043  ?   ?  0.000000 5.604277 
1 1 1    2   19   53 o  105.933   6.1038  1740.49  196.518  1714.28  206.222  1999.48  648.263  105.027   6.4644  105.471   20.876 -0.4436493 21.85416 
1 1 1    2   20    1 o  253.722   11.646  9886.75  901.904  8187.84  1268.11 11625.77  1282.99  229.146   18.283  274.068   15.400 -44.92241 23.90470 
1 1 1    2   20    2 o  289.572   13.333 12904.02  1178.45 13901.50  1662.72 11897.21  1670.47  298.923   18.312  275.946   19.968 22.97714 27.09381 
1 1 1    2   20    3 o  241.890   16.545  9086.19  1214.20  9086.19  1214.20   0.0000   0.0000  241.890   16.545  ?   ?  0.000000 16.54515 
1 1 1    2   20    4 f  328.592   21.087 16895.17  2103.74 16895.17  2103.74   0.0000   0.0000  328.592   21.087  ?   ?  0.000000 21.08706 
1 1 1    2   20    5 o  186.962   14.024  5415.10  794.468  5415.10  794.468   0.0000   0.0000  186.962   14.024  ?   ?  0.000000 14.02433 
1 1 1    2   20    6 o  234.987   11.558  8483.04  828.964  8923.09  1157.02  8018.89  1188.28  239.794   15.898  226.916   17.287 12.87836 23.48600 
1 1 1    2   20    7 o   91.155   11.796  1297.88  320.499  1297.88  320.499   0.0000   0.0000   91.155   11.796  ?   ?  0.000000 11.79601 
1 1 1    2   20    8 o  296.462   13.509 13540.05  1222.40 13578.33  1717.51 13500.75  1740.17  294.890   19.186  293.932   19.508 0.9580078 27.36168 
1 1 1    2   20    9 o  183.814   9.6060  5195.61  537.063  4684.12  747.889  5740.22  771.716  173.699   14.232  192.610   13.207 -18.91122 19.41530 
1 1 1    2   20   10 o  434.420   27.378 30077.85  3611.60   0.0000   0.0000 30077.85  3611.60  ?   ?   434.420   27.378 0.000000 27.37789 
1 1 1    2   20   14 o  345.345   9.8209 18305.47  1035.19 18305.47  1035.19   0.0000   0.0000  345.345   9.8209  ?   ?  0.000000 9.820878 
1 1 1    2   20   16 o  355.207   15.703 19552.05  1702.46   0.0000   0.0000 19552.05  1702.46  ?   ?   355.207   15.703 0.000000 15.70285 
1 1 1    2   20   17 o  130.407   8.7984  2619.85  348.156   0.0000   0.0000  2619.85  348.156  ?   ?   130.407   8.7984 0.000000 8.798417 
1 1 1    2   20   18 o  332.372   21.448 17434.19  2164.22   0.0000   0.0000 17434.19  2164.22  ?   ?   332.372   21.448 0.000000 21.44780 
1 1 1    2   20   19 o  157.193   9.0419  3804.11  431.991  4090.94  613.322  3521.71  608.562  162.413   12.467  150.426   13.395 11.98659 18.29902 
1 1 1    2   20   20 o   47.799   3.3562  350.660   48.654  408.117   71.055  299.940   66.759   51.474   4.5702   44.005   5.0627 7.468914 6.820397 
1 1 1    2   20   21 o  353.987   6.6552 19183.57  719.063 19732.58  1069.07 18730.01  971.708  358.364   9.7738  349.296   9.1143 9.068481 13.36406 
1 1 1    2   20   22 o  245.989   6.6849  9264.84  501.909  9350.77  550.914  8845.28  1217.34  247.049   7.3061  237.716   16.888 9.332779 18.40035 
1 1 1    2   20   23 o   68.187   3.1052  710.081   64.626  642.198   95.479  767.478   87.795   64.629   4.8761   70.753   4.0828 -6.124428 6.359682 
1 1 1    2   20   24 o  329.800   6.4005 16651.77  644.287 16117.09  957.818 17093.62  870.716  323.803   9.6914  333.735   8.5479 -9.932220 12.92241 
1 1 1    2   20   25 o   88.784   2.7378  1203.69   74.193  1232.48   98.096  1165.22  113.411   89.821   3.5781   87.317   4.2554 2.503487 5.559780 
1 1 1    2   20   26 o  111.677   3.1719  1904.87  108.120  2010.96  160.658  1817.05  146.175  114.694   4.5893  109.032   4.3924 5.662025 6.352553 
1 1 1    2   20   27 f   90.788   4.3709  1259.86  121.120  1361.89  358.632  1246.73  128.681   92.965   12.994   90.181   4.6912 2.783569 13.81504 
1 1 1    2   20   28 o  311.492   5.9267 14850.66  563.478 13993.65  799.049 15698.42  794.726  301.871   8.6723  319.848   8.1406 -17.97726 11.89446 
1 1 1    2   20   29 o  191.165   3.6660  5583.31  213.901  5390.50  355.293  5692.92  267.890  187.639   6.2036  192.974   4.5482 -5.335068 7.692306 
1 1 1    2   20   30 o  156.425   3.5785  3738.25  170.854  3822.21  237.170  3647.68  246.338  158.096   4.9150  154.424   5.2264 3.672241 7.174385 
1 1 1    2   20   31 o  225.711   4.2735  7786.90  294.409  7728.07  404.828  7852.94  428.930  224.699   5.9027  226.471   6.2052 -1.772903 8.564273 
1 1 1    2   20   32 o  162.047   3.1623  4010.91  156.410  3957.14  197.066  4102.44  257.120  160.915   4.0123  163.770   5.1438 -2.854782 6.523611 
1 1 1    2   20   33 o   59.747   6.1443  552.289  110.450  593.062  123.039  383.069  250.658   61.871   6.6180   49.518   15.161 12.35300 16.54290 
1 1 1    2   20   34 o   26.926   8.2513  111.366   74.222   96.765  120.949  120.186   94.004   28.405   10.516   28.543   9.3528 -0.1387444 14.07322 
1 1 1    2   20   35 o  249.168   4.3544  9491.55  331.163  9054.59  420.192 10207.93  538.024  243.217   5.6603  258.068   6.8305 -14.85101 8.870942 
1 1 1    2   20   36 o   36.158   5.2825  204.258   56.579  198.634   73.684  212.338   88.320   35.371   7.0722   36.474   8.1398 -1.102665 10.78296 
1 1 1    2   20   37 o  273.906   4.3209 11471.27  361.236 12110.13  580.750 11068.10  461.345  281.044   6.7701  268.874   5.6216 12.17020 8.799845 
1 1 1    2   20   38 o  222.227   5.4944  7560.97  372.675  7661.98  754.018  7528.32  428.698  222.609   11.097  221.629   6.3373 0.9797363 12.77947 
1 1 1    2   20   39 o  206.866   4.2359  6544.03  267.457  6933.32  380.073  6162.15  376.437  212.735   5.8534  200.515   6.1507 12.21976 8.490843 
1 1 1    2   20   40 o  157.585   3.2154  3794.54  154.657  4225.55  272.673  3590.12  187.784  166.110   5.3781  153.229   4.0151 12.88083 6.711604 
1 1 1    2   20   41 o  170.843   3.1794  4460.09  165.792  4459.81  287.181  4460.23  203.045  170.615   5.5147  170.790   3.8951 -0.1748505 6.751544 
1 1 1    2   20   42 o  190.716   4.0168  5563.27  233.820  5609.39  252.266  5282.08  622.923  191.472   4.3166  184.147   11.135 7.324387 11.94262 
1 1 1    2   20   43 o   72.714   4.1879  811.703   92.552  827.264   98.135  686.488  278.375   73.388   4.4014   64.857   14.434 8.531174 15.09021 
1 1 1    2   20   44 o  121.882   5.0636  2276.62  188.373  2308.75  221.868  2193.64  356.534  122.644   5.9269  118.537   9.9464 4.107635 11.57838 
1 1 1    2   20   45 o   78.650   4.1744  949.638   99.850  919.536  108.044  1125.81  261.379   77.340   4.5977   84.481   10.353 -7.140953 11.32828 
1 1 1    2   20   46 o  152.927   3.7371  3579.09  174.435  4538.62  880.771  3539.92  177.960  166.602   17.586  152.077   3.8339 14.52583 17.99947 
1 1 1    2   20   47 o  160.175   5.1128  3938.51  249.959  4825.26  925.830  3868.79  259.599  170.930   18.017  158.705   5.3591 12.22444 18.79736 
1 1 1    2   20   48 o  122.095   4.3207  2285.75  161.016  2414.89  376.892  2256.91  178.086  123.842   10.058  121.254   4.8119 2.587616 11.14957 
1 1 1    2   20   49 o   26.719   10.715   58.024  133.070  129.018  186.693 -15.2905  189.721   33.640   12.928   27.824   12.068 5.815947 17.68561 
1 1 1    2   20   50 o   98.774   10.810  1559.12  320.586  1559.12  320.586   0.0000   0.0000   98.774   10.810  ?   ?  0.000000 10.81017 
1 1 1    2   20   51 o   90.382   5.9533  1266.96  163.312  1266.96  163.312   0.0000   0.0000   90.382   5.9533  ?   ?  0.000000 5.953296 
1 1 1    2   21    0 o  457.438   28.448 32943.14  3936.79 32943.14  3936.79 32943.14  3936.79  457.438   28.448  457.438   28.448 0.000000 0.000000 
1 1 1    2   21    1 o  437.806   27.657 30666.93  3676.75 30666.93  3676.75   0.0000   0.0000  437.806   27.657  ?   ?  0.000000 27.65689 
1 1 1    2   21    2 o  319.126   12.962 15695.70  1262.58 11314.68  1771.08 20222.99  1800.40  267.736   21.864  361.203   16.331 -93.46738 27.28925 
1 1 1    2   21    3 o  433.457   27.393 30045.31  3605.44 30045.31  3605.44   0.0000   0.0000  433.457   27.393  ?   ?  0.000000 27.39266 
1 1 1    2   21    4 o  320.713   20.746 16159.71  2019.90 16159.71  2019.90   0.0000   0.0000  320.713   20.746  ?   ?  0.000000 20.74572 
1 1 1    2   21    5 f  128.355   12.161  2558.60  470.734  2558.60  470.734   0.0000   0.0000  128.355   12.161  ?   ?  0.000000 12.16064 
1 1 1    2   21    6 o  109.184   11.600  1854.21  380.642  1854.21  380.642   0.0000   0.0000  109.184   11.600  ?   ?  0.000000 11.59965 
1 1 1    2   21    8 o  222.619   15.548  7711.82  1049.81  7711.82  1049.81   0.0000   0.0000  222.619   15.548  ?   ?  0.000000 15.54773 
1 1 1    2   21    9 o  214.480   15.173  7155.47  986.883  7155.47  986.883   0.0000   0.0000  214.480   15.173  ?   ?  0.000000 15.17311 
1 1 1    2   21   10 o   93.755   11.718  1373.63  327.999  1373.63  327.999   0.0000   0.0000   93.755   11.718  ?   ?  0.000000 11.71795 
1 1 1    2   21   11 o  177.929   13.907  4920.45  749.248   0.0000   0.0000  4920.45  749.248  ?   ?   177.929   13.907 0.000000 13.90680 
1 1 1    2   21   12 f  277.987   18.522 12108.61  1562.55   0.0000   0.0000 12108.61  1562.55  ?   ?   277.987   18.522 0.000000 18.52194 
1 1 1    2   21   13 o  173.371   13.766  4673.32  722.436   0.0000   0.0000  4673.32  722.436  ?   ?   173.371   13.766 0.000000 13.76555 
1 1 1    2   21   14 o  192.025   14.244  5735.17  828.911   0.0000   0.0000  5735.17  828.911  ?   ?   192.025   14.244 0.000000 14.24428 
1 1 1    2   21   15 o  342.618   22.075 18590.68  2296.20   0.0000   0.0000 18590.68  2296.20  ?   ?   342.618   22.075 0.000000 22.07503 
1 1 1    2   21   16 f  272.600   12.597 11468.64  1048.14 10922.71  1481.99 12015.03  1482.59  263.728   18.528  277.021   17.626 -13.29324 25.57303 
1 1 1    2   21   17 o  160.804   9.0883  3982.31  444.237  4346.99  630.112  3621.92  626.397  167.391   12.422  152.452   13.605 14.93896 18.42231 
1 1 1    2   21   18 o  176.162   7.8485  4757.68  422.004  4777.55  721.437  4747.34  520.305  175.229   13.595  175.488   9.7524 -0.2596436 16.73146 
1 1 1    2   21   19 o  172.271   7.7022  4549.54  404.993  4847.32  699.943  4399.67  496.555  176.611   13.078  168.922   9.6710 7.689438 16.26501 
1 1 1    2   21   20 o  177.639   9.5866  4863.92  517.854  4966.21  734.323  4762.72  730.406  178.626   13.570  174.850   13.798 3.776199 19.35306 
1 1 1    2   21   21 o   80.963   8.8626  1018.38  215.434  1004.07  309.748  1031.79  299.833   79.546   13.222   80.802   12.566 -1.255424 18.24044 
1 1 1    2   21   22 o  267.489   10.134 11010.01  827.355 11986.48  1434.73 10523.51  1012.70  276.523   17.083  260.897   12.717 15.62683 21.29651 
1 1 1    2   21   23 o   62.553   8.4387  611.317  157.005  589.744  274.319  621.826  191.466   60.437   14.953   62.750   10.358 -2.312950 18.19000 
1 1 1    2   21   24 o  245.835   11.722  9328.43  879.546  9462.49  1247.18  9195.79  1240.58  245.630   16.735  242.066   16.897 3.564560 23.78160 
1 1 1    2   21   25 o  220.860   6.3146  7469.26  425.679  7440.33  466.800  7612.07  1037.25  220.355   6.9405  220.604   15.503 -0.2482910 16.98581 
1 1 1    2   21   26 o  327.925   7.8071 16496.03  781.418 16626.69  846.950 15748.32  2026.01  329.080   8.4322  314.638   21.221 14.44208 22.83453 
1 1 1    2   21   27 f   82.072   4.3917  1032.59  109.614  1030.48  116.766  1048.22  318.108   81.962   4.6869   81.259   13.285 0.7033997 14.08755 
1 1 1    2   21   28 o  254.117   5.0696  9876.75  393.210  9826.14  432.346 10118.95  945.791  253.405   5.5898  255.889   12.109 -2.484543 13.33739 
1 1 1    2   21   29 o  222.555   6.4424  7586.21  437.627  6812.57  508.595  9792.62  858.912  210.710   7.9080  251.951   11.169 -41.24083 13.68518 
1 1 1    2   21   30 o  167.406   5.4544  4288.09  278.696  4922.43  851.610  4212.00  294.937  176.960   15.938  165.883   5.8252 11.07596 16.96921 
1 1 1    2   21   31 o  232.910   9.8238  8350.66  698.368  7970.69  1266.91  8516.52  837.020  224.339   18.672  234.794   11.680 -10.45448 22.02397 
1 1 1    2   21   32 o  238.422   6.2246  8706.29  452.973  8013.30  1284.57  8804.70  484.067  224.747   18.902  239.710   6.6161 -14.96361 20.02607 
1 1 1    2   21   33 o  147.473   3.0247  3321.93  136.149  3271.12  175.910  3397.84  215.012  146.296   3.9395  149.054   4.7261 -2.758133 6.152672 
1 1 1    2   21   34 o  199.675   3.6506  6092.67  222.488  6172.91  352.513  6039.54  286.836  200.788   5.7520  198.713   4.7292 2.075439 7.446551 
1 1 1    2   21   35 o  159.050   3.6962  3866.09  179.435  4117.21  481.575  3825.61  193.358  163.172   9.7133  158.196   4.0045 4.976364 10.50644 
1 1 1    2   21   36 o   64.679   2.8653  638.994   56.565  617.878  100.042  648.917   68.580   63.322   5.2228   65.073   3.4653 -1.751705 6.267891 
1 1 1    2   21   37 o  196.840   4.0191  5924.07  241.470  5952.66  342.702  5895.88  340.292  197.130   5.6957  196.189   5.6828 0.9408264 8.045797 
1 1 1    2   21   38 o  202.171   7.4279  6279.77  458.354  6482.00  653.672  6084.16  642.883  204.457   10.510  198.017   10.676 6.440811 14.98159 
1 1 1    2   21   39 o  173.444   4.3901  4602.53  232.406  4700.72  276.037  4363.47  430.721  175.201   5.1620  168.322   8.3837 6.878159 9.845431 
1 1 1    2   21   40 o  221.149   4.4801  7484.68  302.403  7693.22  429.878  7280.39  425.482  223.904   6.2902  217.792   6.4006 6.111588 8.974106 
1 1 1    2   21   41 o   40.665   4.7236  256.600   57.537  255.011   87.989  257.787   76.050   40.078   7.4676   40.496   6.3625 -0.4176826 9.810555 
1 1 1    2   21   42 f  148.995   3.5336  3394.85  160.696  3755.47  511.749  3355.41  169.257  155.010   10.885  148.109   3.7441 6.901566 11.51128 
1 1 1    2   21   43 o  210.480   4.0503  6780.95  260.203  7240.97  370.336  6332.43  365.675  217.214   5.5859  203.065   5.8999 14.14925 8.124671 
1 1 1    2   21   44 o  111.052   4.6922  1890.34  159.047  2580.94  393.177  1755.22  173.911  128.372   10.117  106.942   5.3280 21.42958 11.43383 
1 1 1    2   21   45 o   95.855   4.4818  1408.47  131.125  2016.42  755.343  1389.58  133.147  106.778   23.786   95.200   4.5822 11.57758 24.22320 
1 1 1    2   21   46 o   47.067   12.990  363.334  192.714  400.830  694.079  360.202  200.602   59.775   24.294   46.912   13.364 12.86222 27.72706 
1 1 1    2   21   47 o  117.497   10.269  2183.08  364.577  3086.30  780.083  1930.67  412.385  134.309   19.607  109.495   12.567 24.81453 23.28860 
1 1 1    2   21   48 f  147.108   20.948  3786.02  914.014  3786.02  914.014   0.0000   0.0000  147.108   20.948  ?   ?  0.000000 20.94809 
1 1 1    2   21   49 o   84.379   6.1218  1105.70  156.592  1105.70  156.592   0.0000   0.0000   84.379   6.1218  ?   ?  0.000000 6.121837 
1 1 1    2   21   50 o  149.799   6.1736  3471.78  282.271  3423.45  302.649  3794.85  782.495  148.582   6.6735  148.929   17.551 -0.3463440 18.77713 
1 1 1    2   22    0 o  338.976   21.915 17992.54  2245.67 17992.54  2245.67 17992.54  2245.67  338.976   21.915  338.976   21.915 0.000000 0.000000 
1 1 1    2   22    1 o  409.397   26.063 26850.37  3239.79 26850.37  3239.79   0.0000   0.0000  409.397   26.063  ?   ?  0.000000 26.06275 
1 1 1    2   22    2 o  233.037   12.666  8402.16  897.546 13123.01  1258.94  3522.33  1279.96  291.259   14.162  145.267   29.865 145.9911 33.05288 
1 1 1    2   22    3 o  178.250   8.4021  4872.31  457.126  2250.99  611.451  8193.93  688.299  119.068   17.333  230.963   9.7638 -111.8953 19.89424 
1 1 1    2   22    4 o  328.863   21.289 17082.32  2125.41 17082.32  2125.41   0.0000   0.0000  328.863   21.289  ?   ?  0.000000 21.28856 
1 1 1    2   22    5 o  185.673   14.015  5361.58  788.407  5361.58  788.407   0.0000   0.0000  185.673   14.015  ?   ?  0.000000 14.01510 
1 1 1    2   22    6 o  226.919   10.923  7923.62  756.513  7460.18  1052.08  8419.78  1088.59  218.640   15.874  232.480   15.429 -13.84000 22.13645 
1 1 1    2   22    8 o  142.037   13.185  3142.51  565.074   0.0000   0.0000  3142.51  565.074  ?   ?   142.037   13.185 0.000000 13.18469 
1 1 1    2   22    9 o   59.262   16.942  560.493  321.812   0.0000   0.0000  560.493  321.812  ?   ?    59.262   16.942 0.000000 16.94178 
1 1 1    2   22   10 o   85.843   12.247  1158.97  311.798   0.0000   0.0000  1158.97  311.798  ?   ?    85.843   12.247 0.000000 12.24732 
1 1 1    2   22   11 o  179.266   13.741  5000.48  746.112   0.0000   0.0000  5000.48  746.112  ?   ?   179.266   13.741 0.000000 13.74065 
1 1 1    2   22   12 o   27.963   10.947   71.393  135.757  103.379  186.441   35.294  198.066   32.968   12.850   30.792   12.793 2.176313 18.13219 
1 1 1    2   22   13 o  196.136   5.7254  5885.49  342.752  5736.59  838.898  5915.33  375.526  191.851   14.432  196.585   6.2585 -4.734116 15.73045 
1 1 1    2   22   14 o  148.714   12.645  3440.47  568.528   0.0000   0.0000  3440.47  568.528  ?   ?   148.714   12.645 0.000000 12.64515 
1 1 1    2   22   15 o  154.964   12.819  3736.41  600.895   0.0000   0.0000  3736.41  600.895  ?   ?   154.964   12.819 0.000000 12.81937 
1 1 1    2   22   16 o  208.725   15.017  6801.18  950.304   0.0000   0.0000  6801.18  950.304  ?   ?   208.725   15.017 0.000000 15.01703 
1 1 1    2   22   17 o  104.410   11.922  1703.88  373.128   0.0000   0.0000  1703.88  373.128  ?   ?   104.410   11.922 0.000000 11.92224 
1 1 1    2   22   18 o  346.697   9.1266 18469.42  965.775 18262.56  1061.94 19458.92  2322.58  344.487   10.100  349.660   21.872 -5.173615 24.09160 
1 1 1    2   22   19 o  237.901   6.6162  8668.83  480.418  8663.74  527.177  8693.76  1166.81  237.742   7.2650  235.544   16.330 2.197266 17.87358 
1 1 1    2   22   20 o  116.796   4.3693  2085.17  155.759  1958.66  177.904  2500.54  322.364  113.162   5.1507  127.363   8.3385 -14.20131 9.801083 
1 1 1    2   22   21 o   88.856   4.0440  1206.61  109.677  1229.29  123.766  1123.64  236.691   89.556   4.5427   85.002   9.2734 4.554291 10.32626 
1 1 1    2   22   22 o  198.581   5.8236  6035.65  352.977  6046.37  386.601  5981.94  865.345  198.700   6.3745  195.688   14.593 3.012238 15.92449 
1 1 1    2   22   23 o   87.801   4.3257  1178.40  115.924  1182.84  124.228  1148.46  322.497   87.833   4.6504   85.245   12.789 2.588219 13.60865 
1 1 1    2   22   24 o   85.142   9.0298  1126.40  231.080  1218.22  335.561  1043.57  318.685   87.818   12.904   81.051   13.347 6.766609 18.56454 
1 1 1    2   22   25 o  131.617   8.7664  2672.99  350.152   0.0000   0.0000  2672.99  350.152  ?   ?   131.617   8.7664 0.000000 8.766367 
1 1 1    2   22   26 o  165.151   9.4075  4208.21  472.246   0.0000   0.0000  4208.21  472.246  ?   ?   165.151   9.4075 0.000000 9.407454 
1 1 1    2   22   27 o  131.943   3.8237  2660.28  153.987  2649.50  161.426  2769.21  513.183  131.667   4.0168  133.151   12.784 -1.484299 13.40065 
1 1 1    2   22   28 o  100.049   5.1691  1535.41  157.311  1560.66  182.237  1461.58  311.618  100.789   5.9503   96.782   10.729 4.006279 12.26898 
1 1 1    2   22   29 o  123.966   5.4973  2351.87  208.004  2373.02  221.084  2188.80  613.835  124.501   5.8179  116.844   17.772 7.656616 18.70001 
1 1 1    2   22   30 o   71.830   3.7645  790.626   82.245  440.001  580.268  797.814   83.084   60.311   22.884   72.155   3.7858 -11.84332 23.19495 
1 1 1    2   22   31 o  165.129   3.5924  4166.69  181.064  4365.45  434.179  4124.84  199.213  168.322   8.4783  164.275   3.9731 4.047272 9.363041 
1 1 1    2   22   32 o   94.951   2.8420  1377.05   82.364  1430.38  135.326  1345.68  103.805   96.708   4.5846   93.839   3.6243 2.868942 5.844136 
1 1 1    2   22   33 o   63.923   3.4148  626.160   66.386  511.690   97.692  724.369   90.488   57.533   5.6356   68.689   4.3383 -11.15606 7.112015 
1 1 1    2   22   34 o   95.141   4.1709  1384.12  121.118  1419.56  140.848  1283.54  237.287   96.321   4.7909   90.924   8.6547 5.397163 9.892217 
1 1 1    2   22   35 o  180.197   8.0860  4994.04  444.736  5383.73  781.847  4807.63  540.740  185.207   13.933  176.144   10.100 9.063522 17.20855 
1 1 1    2   22   36 o  160.704   3.7503  3948.30  183.954  3829.72  260.788  4065.72  259.518  158.122   5.4035  162.941   5.2182 -4.819397 7.511836 
1 1 1    2   22   37 o  231.815   3.9991  8218.62  282.955  8153.83  352.415  8336.16  474.670  230.760   5.0035  233.022   6.6739 -2.262253 8.341230 
1 1 1    2   22   38 o  184.423   3.4981  5199.69  196.908  5402.70  253.141  4888.67  313.329  187.891   4.4141  178.556   5.7492 9.334747 7.248267 
1 1 1    2   22   39 o  254.503   5.2233  9926.59  405.747 11603.33  1041.13  9626.32  440.582  272.462   12.519  250.511   5.7621 21.95097 13.78174 
1 1 1    2   22   40 o   11.240   5.0582 -18.4736   36.423  -9.9441   73.614 -21.2386   41.913   17.386   7.5290   12.055   5.4253 5.331649 9.280093 
1 1 1    2   22   41 o   90.311   3.8655  1248.11  106.552  1296.64  123.021  1102.39  213.180   92.015   4.3803   84.045   8.4238 7.969986 9.494561 
1 1 1    2   22   42 o   31.771   6.7502  161.266   63.439  292.115  229.544  150.445   66.010   43.796   14.627   30.634   7.1842 13.16238 16.29630 
1 1 1    2   22   43 o   55.068   4.4713  467.882   74.506  525.807  250.380  462.254   78.041   56.346   14.480   54.700   4.7206 1.645939 15.23015 
1 1 1    2   22   44 o   73.624   5.2751  837.119  117.755  1161.98  288.920  772.406  128.951   85.219   11.393   70.572   6.0449 14.64758 12.89722 
1 1 1    2   22   45 o   24.053   9.9018   31.367  117.164   40.435  150.385   17.363  186.890   27.153   11.203   28.836   12.230 -1.682705 16.58560 
1 1 1    2   22   46 o   70.276   25.579  859.739  710.891  859.739  710.891   0.0000   0.0000   70.276   25.579  ?   ?  0.000000 25.57850 
1 1 1    2   22   47 o  172.199   6.6861  4592.23  351.413  4592.23  351.413   0.0000   0.0000  172.199   6.6861  ?   ?  0.000000 6.686085 
1 1 1    2   22   48 o  132.389   4.4249  2693.62  178.801  2607.52  260.753  2770.03  245.649  129.538   6.6171  133.859   6.0124 -4.321503 8.940628 
1 1 1    2   23    0 o  496.010   30.975 39128.48  4647.51 39128.48  4647.51 39128.48  4647.51  496.010   30.975  496.010   30.975 -0.000000 0.000000 
1 1 1    2   23    2 o  121.933   15.014  2341.45  546.972   0.0000   0.0000  2341.45  546.972  ?   ?   121.933   15.014 0.000000 15.01409 
1 1 1    2   23    3 o  200.825   15.587  6306.79  947.966   0.0000   0.0000  6306.79  947.966  ?   ?   200.825   15.587 0.000000 15.58741 
1 1 1    2   23    5 o  297.113   20.023 13953.03  1805.23   0.0000   0.0000 13953.03  1805.23  ?   ?   297.113   20.023 0.000000 20.02319 
1 1 1    2   23    6 o  234.963   16.795  8654.05  1196.53   0.0000   0.0000  8654.05  1196.53  ?   ?   234.963   16.795 0.000000 16.79491 
1 1 1    2   23    7 o   46.475   13.813  339.236  210.287  339.236  210.287   0.0000   0.0000   46.475   13.813  ?   ?  0.000000 13.81259 
1 1 1    2   23    8 f  292.481   13.352 13242.28  1191.99 12982.87  1671.68 13510.59  1700.13  286.862   19.203  292.691   19.136 -5.828766 27.11011 
1 1 1    2   23    9 f  202.538   6.0273  6278.79  372.605  6019.84  406.057  7659.01  937.458  198.247   6.7106  221.873   13.913 -23.62532 15.44719 
1 1 1    2   23   10 o  143.133   4.8248  3132.53  210.784  3139.10  229.210  3096.50  536.578  143.259   5.2420  140.991   12.602 2.268280 13.64842 
1 1 1    2   23   11 o  312.325   8.0744 14967.03  769.728 15132.15  845.929 14172.42  1855.73  313.879   8.8299  298.984   20.458 14.89441 22.28233 
1 1 1    2   23   12 o  239.725   6.5345  8801.54  478.124  8880.89  525.185  8417.33  1155.58  240.719   7.1480  231.708   16.447 9.011444 17.93269 
1 1 1    2   23   13 o  165.727   5.3151  4201.54  268.859  4118.49  293.404  4636.52  671.489  164.039   5.8600  172.651   12.834 -8.611893 14.10874 
1 1 1    2   23   14 o  191.217   5.8284  5596.17  340.170  5453.08  372.224  6321.27  837.909  188.694   6.4629  201.475   13.707 -12.78046 15.15444 
1 1 1    2   23   15 o  135.035   4.8647  2788.42  200.504  2701.28  217.979  3267.46  511.084  132.878   5.3745  145.032   11.644 -12.15324 12.82420 
1 1 1    2   23   17 f  171.218   13.485  4571.37  699.008   0.0000   0.0000  4571.37  699.008  ?   ?   171.218   13.485 0.000000 13.48483 
1 1 1    2   23   18 o  260.469   17.660 10681.19  1395.70   0.0000   0.0000 10681.19  1395.70  ?   ?   260.469   17.660 0.000000 17.66003 
1 1 1    2   23   19 o   35.073   13.704  116.812  212.423   0.0000   0.0000  116.812  212.423  ?   ?    35.073   13.704 0.000000 13.70368 
1 1 1    2   23   20 o  160.113   9.2152  3954.50  448.447  4036.49  635.936  3873.39  632.479  160.918   13.060  157.557   13.276 3.360504 18.62302 
1 1 1    2   23   21 o   68.274   9.9066  732.105  200.413  777.035  288.663  690.294  278.465   69.543   14.082   65.429   14.340 4.113724 20.09831 
1 1 1    2   23   22 o  101.606   9.6429  1602.52  295.467  1733.34  387.246  1420.25  457.093  105.180   12.295   94.043   16.528 11.13676 20.59890 
1 1 1    2   23   23 o  249.439   11.906  9616.91  906.440  9208.17  1277.96 10030.73  1285.88  241.767   17.435  252.674   16.769 -10.90715 24.19032 
1 1 1    2   23   24 o  119.034   4.9882  2167.28  181.231  2167.28  181.231   0.0000   0.0000  119.034   4.9882  ?   ?  0.000000 4.988217 
1 1 1    2   23   25 o  140.828   14.256  3113.48  604.356   0.0000   0.0000  3113.48  604.356  ?   ?   140.828   14.256 0.000000 14.25644 
1 1 1    2   23   26 o  211.578   15.607  7025.12  1000.78   0.0000   0.0000  7025.12  1000.78  ?   ?   211.578   15.607 0.000000 15.60737 
1 1 1    2   23   27 o   23.991   6.8654   90.282   52.819 -80.4962  140.359  118.456   57.009   21.680   9.8269   27.270   6.8565 -5.589409 11.98246 
1 1 1    2   23   28 o  121.152   4.4388  2244.46  164.139  2376.75  482.227  2227.13  174.563  123.094   13.033  120.667   4.7396 2.427437 13.86832 
1 1 1    2   23   29 o  224.217   5.0002  7692.27  342.196  8250.27  502.594  7210.06  467.216  231.901   7.1006  216.795   7.0607 15.10530 10.01366 
1 1 1    2   23   30 o  164.471   3.8354  4134.82  192.539  4246.07  289.893  4047.00  257.550  166.508   5.7041  162.607   5.1892 3.900787 7.711337 
1 1 1    2   23   31 o  144.523   4.6967  3195.55  207.181  3166.86  241.517  3275.45  403.133  143.807   5.5024  145.540   9.1211 -1.733810 10.65227 
1 1 1    2   23   32 o   99.723   7.5753  1536.62  228.850  1381.81  409.744  1606.81  275.893   92.852   14.967  101.741   8.9764 -8.888962 17.45217 
1 1 1    2   23   33 o   19.580   7.0526   49.184   53.845   57.742  124.278   47.206   59.744   26.265   10.414   19.940   7.3890 6.324467 12.76876 
1 1 1    2   23   34 o  147.750   2.7783  3334.92  125.293  3367.08  179.335  3304.26  175.123  148.383   3.9597  146.997   3.9032 1.386398 5.560040 
1 1 1    2   23   35 o  228.175   4.0814  7964.08  284.244  8215.19  353.145  7502.09  478.995  231.611   4.9955  220.938   7.1030 10.67291 8.683779 
1 1 1    2   23   36 o   24.571   6.8698   95.397   53.529   97.653  159.734   95.111   56.814   30.848   11.930   24.625   7.1418 6.222784 13.90451 
1 1 1    2   23   37 o   84.820   6.0229  1109.80  154.912  1215.00  184.228  855.860  286.221   88.633   6.8634   72.793   13.375 15.84017 15.03347 
1 1 1    2   23   38 o  137.197   3.5639  2878.95  149.239  2941.69  169.457  2662.05  315.054  138.645   4.0044  131.134   7.9084 7.510559 8.864450 
1 1 1    2   23   39 o   85.745   3.1773  1124.15   83.154  1115.65  122.008  1131.53  113.632   85.194   4.7103   85.845   4.3510 -0.6508408 6.412364 
1 1 1    2   23   40 o  264.083   6.6644 10740.68  537.181 12785.25  1107.08 10111.06  614.349  284.714   12.740  255.769   7.8696 28.94481 14.97414 
1 1 1    2   23   41 o   96.901   4.7034  1440.21  139.110  1784.99  351.472  1376.17  151.480  106.172   11.006   94.517   5.2718 11.65517 12.20321 
1 1 1    2   23   42 o   60.376   9.5211  581.849  169.643  661.857  272.027  530.931  217.011   63.057   14.444   56.764   12.827 6.292137 19.31779 
1 1 1    2   23   43 o  150.857   10.664  3599.16  487.847  3599.16  487.847   0.0000   0.0000  150.857   10.664  ?   ?  0.000000 10.66372 
1 1 1    2   23   44 o  124.159   10.630  2449.59  398.936  2449.59  398.936   0.0000   0.0000  124.159   10.630  ?   ?  0.000000 10.62956 
1 1 1    2   23   45 o   43.328   12.342  309.316  171.109  309.316  171.109   0.0000   0.0000   43.328   12.342  ?   ?  0.000000 12.34219 
1 1 1    2   23   46 o   90.844   6.9465  1288.42  191.151  1258.09  200.866  1579.40  622.167   89.624   7.4093   92.234   22.337 -2.610489 23.53424 
1 1 1    2   24    1 o  281.477   18.886 12513.04  1613.14 12513.04  1613.14   0.0000   0.0000  281.477   18.886  ?   ?  0.000000 18.88585 
1 1 1    2   24    2 o  316.561   20.833 15925.66  2001.65 15925.66  2001.65   0.0000   0.0000  316.561   20.833  ?   ?  0.000000 20.83270 
1 1 1    2   24    3 o  269.591   18.275 11458.81  1494.91 11458.81  1494.91   0.0000   0.0000  269.591   18.275  ?   ?  0.000000 18.27533 
1 1 1    2   24    4 o  245.382   16.920  9457.67  1259.52  9457.67  1259.52   0.0000   0.0000  245.382   16.920  ?   ?  0.000000 16.92027 
1 1 1    2   24    5 o  285.937   12.310 12641.56  1074.38 10626.71  1492.07 14811.09  1548.29  259.226   18.990  307.479   16.559 -48.25351 25.19548 
1 1 1    2   24    6 o  222.151   9.7408  7593.69  660.480  5429.49  890.457 10240.60  984.766  185.971   15.838  257.287   12.540 -71.31638 20.20157 
1 1 1    2   24    7 o  191.676   14.233  5735.62  826.717  5735.62  826.717   0.0000   0.0000  191.676   14.233  ?   ?  0.000000 14.23260 
1 1 1    2   24    8 o  245.781   11.351  9323.15  851.495  8139.40  1191.01 10560.82  1217.83  227.375   17.291  259.936   15.419 -32.56131 23.16718 
1 1 1    2   24    9 o  426.965   18.739 28681.52  2442.12 29394.82  3452.97 27967.64  3454.38  424.997   26.755  413.788   27.508 11.20853 38.37360 
1 1 1    2   24   10 o  244.237   11.674  9213.18  870.244  9431.04  1229.19  8994.25  1232.24  245.135   16.525  239.178   16.990 5.956802 23.70078 
1 1 1    2   24   11 o  147.701   5.1378  3337.12  231.621  3271.56  252.554  3684.14  581.062  146.207   5.6594  153.827   12.483 -7.619888 13.70642 
1 1 1    2   24   12 o  272.828   12.641 11521.56  1052.62 11077.76  1486.50 11967.90  1490.76  264.818   18.507  275.635   17.815 -10.81720 25.68826 
1 1 1    2   24   13 o  219.558   10.826  7433.91  725.506  7277.39  1024.07  7591.63  1027.98  215.480   15.678  220.209   15.391 -4.729187 21.97026 
1 1 1    2   24   14 o  335.094   14.979 17481.56  1531.99 16517.05  2165.17 18448.54  2167.95  321.276   22.216  340.466   20.964 -19.18924 30.54591 
1 1 1    2   24   15 o  195.152   10.130  5881.11  601.329  6033.47  849.945  5728.42  850.870  196.552   14.265  191.365   14.679 5.187393 20.46865 
1 1 1    2   24   16 o  368.430   16.345 21215.28  1838.04 20960.61  2599.39 21469.95  2599.37  360.878   23.731  365.493   23.424 -4.615204 33.34471 
1 1 1    2   24   17 o  226.292   11.074  7901.88  764.857  7989.67  1081.97  7814.18  1081.37  225.750   15.802  223.179   15.980 2.571381 22.47409 
1 1 1    2   24   18 o  225.747   15.959  7994.83  1092.51   0.0000   0.0000  7994.83  1092.51  ?   ?   225.747   15.959 0.000000 15.95856 
1 1 1    2   24   21 o   59.688   4.8966  548.577   88.422  548.577   88.422   0.0000   0.0000   59.688   4.8966  ?   ?  0.000000 4.896620 
1 1 1    2   24   23 o  252.571   7.0011  9782.44  539.715   0.0000   0.0000  9782.44  539.715  ?   ?   252.571   7.0011 0.000000 7.001053 
1 1 1    2   24   24 o   44.568   5.7791  309.208   76.764   0.0000   0.0000  309.208   76.764  ?   ?    44.568   5.7791 0.000000 5.779087 
1 1 1    2   24   25 o  102.068   7.5088  1607.69  232.281  1671.71  399.541  1575.00  285.484  102.991   13.000  100.702   9.3966 2.288574 16.04008 
1 1 1    2   24   26 o   70.670   10.539  787.520  220.382  797.332  322.411  778.915  301.931   70.077   15.486   69.389   14.712 0.6878204 21.36053 
1 1 1    2   24   27 o  191.395   5.7883  5611.26  338.141  5582.87  369.784  5756.20  835.438  190.838   6.3484  191.515   14.397 -0.6770630 15.73490 
1 1 1    2   24   28 o   28.299   7.6461  127.138   67.607  114.983   71.551  228.366  206.484   27.164   8.0534   40.100   13.864 -12.93580 16.03355 
1 1 1    2   24   29 o  170.670   4.7483  4457.40  247.352  4584.09  284.531  4065.43  500.477  173.012   5.3881  161.899   10.180 11.11203 11.51782 
1 1 1    2   24   30 o  226.980   5.4248  7891.68  375.828  7551.43  827.773  7980.03  421.809  220.000   12.378  228.142   6.0575 -8.142624 13.78045 
1 1 1    2   24   31 o   21.529   6.1315   72.808   42.234   72.985   60.591   72.641   58.901   22.467   7.5150   22.326   7.4076 0.1403332 10.55215 
1 1 1    2   24   32 o  108.383   3.1535  1795.21  104.323  1876.19  137.436  1685.13  160.247  110.750   4.0657  104.897   5.0050 5.852631 6.448315 
1 1 1    2   24   33 o  126.862   3.2160  2459.91  124.529  2531.35  161.604  2355.49  195.386  128.628   4.1162  123.991   5.1628 4.637657 6.602879 
1 1 1    2   24   34 o   65.715   7.4001  672.925  145.845  758.521  177.652  495.976  255.426   69.596   8.5424   55.111   14.850 14.48567 17.13174 
1 1 1    2   24   35 o   38.316   5.5997  229.918   63.555  230.899   68.494  223.843  170.444   38.319   6.0577   38.448   12.594 -0.1295853 13.97479 
1 1 1    2   24   36 o   13.436   5.6222   4.5436   38.647   38.568   59.569 -20.1883   50.787   19.130   7.3145   13.591   6.0549 5.539355 9.495435 
1 1 1    2   24   37 o   98.403   3.0030  1480.41   90.194  1446.25  202.010  1488.91  100.799   96.656   6.8926   98.664   3.3472 -2.008484 7.662373 
1 1 1    2   24   38 o  107.672   8.5690  1808.18  279.281  1961.08  390.692  1648.40  399.379  111.168   11.689  101.268   13.238 9.899887 17.66014 
1 1 1    2   24   39 o  115.930   25.194  2423.89  865.993  2423.89  865.993   0.0000   0.0000  115.930   25.194  ?   ?  0.000000 25.19352 
1 1 1    2   24   40 o   55.053   11.617  495.503  189.070  650.273  284.704  373.393  252.886   62.264   15.130   48.128   15.304 14.13606 21.52010 
1 1 1    2   24   41 o  108.218   8.5310  1835.23  279.500  1994.00  400.709  1684.80  390.052  111.473   11.964  102.007   12.810 9.466797 17.52857 
1 1 1    2   24   42 o  134.149   11.759  2884.46  476.614  2884.46  476.614   0.0000   0.0000  134.149   11.759  ?   ?  0.000000 11.75888 
1 1 1    2   24   43 o   48.353   21.626 -57.2278  654.696 -57.2278  654.696   0.0000   0.0000   48.353   21.626  ?   ?  0.000000 21.62610 
1 1 1    2   24   44 o   77.118   19.220  1065.87  450.793  919.041  703.412  1168.20  587.236   70.399   25.471   78.674   23.002 -8.274132 34.32021 
1 1 1    2   25    0 o  530.250   33.363 45146.53  5350.54 45146.53  5350.54 45146.53  5350.54  530.250   33.363  530.250   33.363 0.000000 0.000000 
1 1 1    2   25    1 o  439.542   18.573 30413.35  2491.75 38701.94  3531.95 22200.24  3515.83  491.289   23.554  363.762   31.991 127.5267 39.72686 
1 1 1    2   25    2 o  346.456   15.681 18729.80  1658.23 19320.68  2344.54 18138.37  2345.64  347.440   22.225  336.045   23.007 11.39520 31.98893 
1 1 1    2   25    3 o  458.266   20.169 33241.48  2821.14 32387.69  3990.32 34094.74  3989.09  442.394   29.724  454.926   28.878 -12.53134 41.44257 
1 1 1    2   25    4 o  398.616   14.053 24687.28  1709.82 29583.62  2962.67 22242.03  2093.68  429.785   22.665  376.083   18.239 53.70190 29.09245 
1 1 1    2   25    5 o  336.537   15.087 17644.52  1549.71 15001.96  2184.41 20322.32  2198.92  305.044   23.646  357.775   20.219 -52.73050 31.11199 
1 1 1    2   25    6 o  129.771   12.213  2627.19  478.044  2627.19  478.044   0.0000   0.0000  129.771   12.213  ?   ?  0.000000 12.21268 
1 1 1    2   25    7 o  476.872   20.065 35985.45  2920.50 32493.33  4116.66 39523.93  4143.89  441.927   30.710  491.243   27.751 -49.31619 41.39112 
1 1 1    2   25    8 o  345.796   14.405 18596.41  1520.35 14594.39  2138.40 22687.31  2162.01  300.949   23.465  379.540   18.663 -78.59055 29.98203 
1 1 1    2   25    9 o  150.713   12.903  3544.06  587.846  3544.06  587.846   0.0000   0.0000  150.713   12.903  ?   ?  0.000000 12.90341 
1 1 1    2   25   10 o  298.911   19.790 14183.08  1795.33 14183.08  1795.33   0.0000   0.0000  298.911   19.790  ?   ?  0.000000 19.79022 
1 1 1    2   25   11 o  422.085   18.531 28054.11  2387.37 27371.74  3374.56 28737.85  3377.95  409.005   27.186  419.823   26.497 -10.81772 37.96329 
1 1 1    2   25   12 o  176.546   9.6654  4811.96  518.852  4605.42  730.999  5021.67  736.569  171.596   14.081  179.386   13.553 -7.789886 19.54365 
1 1 1    2   25   13 o   87.427   8.9063  1187.06  234.345  1215.73  327.148  1156.85  335.850   87.755   12.573   85.394   13.320 2.361549 18.31706 
1 1 1    2   25   14 o  183.239   14.036  5248.18  779.060  5248.18  779.060   0.0000   0.0000  183.239   14.036  ?   ?  0.000000 14.03621 
1 1 1    2   25   15 o   85.161   12.808  1147.83  322.607  1147.83  322.607   0.0000   0.0000   85.161   12.808  ?   ?  0.000000 12.80778 
1 1 1    2   25   16 o  258.590   17.640 10555.33  1384.00 10555.33  1384.00   0.0000   0.0000  258.590   17.640  ?   ?  0.000000 17.64038 
1 1 1    2   25   17 o  135.189   12.609  2855.88  514.295  2855.88  514.295   0.0000   0.0000  135.189   12.609  ?   ?  0.000000 12.60939 
1 1 1    2   25   19 o   89.176   4.6691  1219.61  126.645   0.0000   0.0000  1219.61  126.645  ?   ?    89.176   4.6691 0.000000 4.669146 
1 1 1    2   25   20 o  406.999   11.451 25623.10  1422.46   0.0000   0.0000 25623.10  1422.46  ?   ?   406.999   11.451 0.000000 11.45062 
1 1 1    2   25   21 o  225.323   6.9910  7788.34  480.797   0.0000   0.0000  7788.34  480.797  ?   ?   225.323   6.9910 0.000000 6.990989 
1 1 1    2   25   22 o  307.765   8.9412 14581.23  839.913   0.0000   0.0000 14581.23  839.913  ?   ?   307.765   8.9412 0.000000 8.941236 
1 1 1    2   25   23 o  157.453   9.3587  3833.74  447.738  3868.05  636.746  3800.19  629.708  157.089   13.409  155.704   13.380 1.384293 18.94254 
1 1 1    2   25   24 f  304.503   7.8810 14252.42  732.469 14450.97  804.815 13294.60  1767.68  306.406   8.6056  287.772   20.254 18.63419 22.00658 
1 1 1    2   25   25 o   16.221   6.6663   12.501   52.994   23.854   55.368 -111.4389  182.938   17.441   6.9396   24.488   11.146 -7.046402 13.12938 
1 1 1    2   25   26 o  120.155   4.5298  2208.94  166.128  2113.01  188.552  2541.83  351.236  117.465   5.2590  128.094   9.0417 -10.62938 10.45992 
1 1 1    2   25   27 o   96.296   7.7491  1435.22  225.831  1477.74  390.981  1413.93  276.646   96.348   13.679   95.207   9.6535 1.141174 16.74256 
1 1 1    2   25   28 o   86.487   4.2604  1144.36  112.466  1182.70  325.499  1139.16  119.847   86.215   12.754   86.154   4.5740 0.6133270E-01 13.54970 
1 1 1    2   25   29 o   83.026   3.0942  1053.44   78.412  1043.22  108.874  1064.45  113.025   82.454   4.3414   83.279   4.4628 -0.8248291 6.226078 
1 1 1    2   25   30 o  103.372   3.1469  1633.21   99.288  1682.27  131.453  1568.03  151.500  104.858   4.1073  101.180   4.9057 3.677795 6.398076 
1 1 1    2   25   31 o   86.472   4.0376  1144.11  106.564  1138.01  112.052  1201.88  344.734   86.228   4.2575   86.556   13.488 -0.3274307 14.14434 
1 1 1    2   25   32 o   68.186   5.2339  716.993  108.097  805.171  184.432  670.851  133.415   71.692   8.6001   65.709   6.7480 5.982971 10.93148 
1 1 1    2   25   33 o  160.032   3.6184  3917.76  176.742  4135.15  201.159  3181.80  370.118  164.367   4.0096  143.207   8.5058 21.16068 9.403484 
1 1 1    2   25   34 o  143.785   3.0878  3161.03  135.514  3306.98  183.342  2985.27  201.191  146.964   4.0873  139.556   4.7233 7.407990 6.246201 
1 1 1    2   25   35 o  110.479   11.448  1933.20  380.430  2447.38  933.212  1830.72  416.619  116.203   26.851  106.908   13.038 9.294594 29.84890 
1 1 1    2   25   36 o  118.738   11.323  2233.71  405.383  2299.37  921.198  2217.94  451.445  111.592   27.276  117.737   12.767 -6.144867 30.11591 
1 1 1    2   25   37 o  157.170   10.980  3902.44  523.411  4779.47  1007.44  3578.19  612.575  167.760   20.074  149.119   13.609 18.64128 24.25182 
1 1 1    2   25   38 o   43.954   13.397  312.806  196.008  413.922  330.696  258.045  243.363   51.218   17.555   42.167   15.014 9.050522 23.09945 
1 1 1    2   25   39 o   41.884   13.258  280.674  189.948  502.140  322.405  162.932  235.079   54.771   17.265   37.465   14.478 17.30609 22.53196 
1 1 1    2   25   40 o  141.557   22.526  3609.81  940.642  3609.81  940.642   0.0000   0.0000  141.557   22.526  ?   ?  0.000000 22.52567 
1 1 1    2   25   41 o  115.347   24.784  2524.53  846.565  2524.53  846.565   0.0000   0.0000  115.347   24.784  ?   ?  0.000000 24.78414 
1 1 1    2   25   42 o   49.621   9.3285  399.654  136.097  600.600  703.156  391.833  138.720   62.105   24.724   49.042   9.6109 13.06226 26.52616 
1 1 1    2   26    0 o  239.311   17.469  8978.33  1260.33  8978.33  1260.33  8978.33  1260.33  239.311   17.469  239.311   17.469 -0.000000 0.000000 
1 1 1    2   26    1 o  359.614   16.223 20236.19  1780.62 19163.38  2520.44 21305.18  2515.93  344.123   24.149  364.065   22.756 -19.94174 33.18139 
1 1 1    2   26    2 o  321.507   21.538 16543.05  2101.32 16543.05  2101.32   0.0000   0.0000  321.507   21.538  ?   ?  0.000000 21.53792 
1 1 1    2   26    3 o  377.271   24.809 23091.13  2840.84 23091.13  2840.84   0.0000   0.0000  377.271   24.809  ?   ?  0.000000 24.80878 
1 1 1    2   26    4 o  476.923   16.810 35660.97  2447.03 40398.94  4238.14 33291.59  2997.07  495.256   28.153  456.971   21.488 38.28500 35.41639 
1 1 1    2   26    5 o  306.518   14.300 14622.84  1337.89 14559.14  1884.49 14687.57  1899.73  302.123   20.558  303.408   20.637 -1.285065 29.12904 
1 1 1    2   26    6 o  271.717   18.906 11709.58  1558.15 11709.58  1558.15   0.0000   0.0000  271.717   18.906  ?   ?  0.000000 18.90557 
1 1 1    2   26    7 o  162.005   5.9166  4019.11  292.562  4019.11  292.562   0.0000   0.0000  162.005   5.9166  ?   ?  0.000000 5.916623 
1 1 1    2   26    8 o   85.172   4.5615  1112.51  118.152  1112.51  118.152   0.0000   0.0000   85.172   4.5615  ?   ?  0.000000 4.561481 
1 1 1    2   26    9 o  231.662   16.228  8441.87  1140.24  8441.87  1140.24   0.0000   0.0000  231.662   16.228  ?   ?  0.000000 16.22841 
1 1 1    2   26   10 o  215.426   15.466  7286.30  1010.16  7286.30  1010.16   0.0000   0.0000  215.426   15.466  ?   ?  0.000000 15.46589 
1 1 1    2   26   11 o  192.202   14.437  5786.69  840.760  5786.69  840.760   0.0000   0.0000  192.202   14.437  ?   ?  0.000000 14.43712 
1 1 1    2   26   12 o  160.185   13.214  4011.31  640.280  4011.31  640.280   0.0000   0.0000  160.185   13.214  ?   ?  0.000000 13.21367 
1 1 1    2   26   13 o   96.206   12.494  1458.10  358.207  1458.10  358.207   0.0000   0.0000   96.206   12.494  ?   ?  0.000000 12.49361 
1 1 1    2   26   14 o  315.158   20.873 15911.10  1996.48   0.0000   0.0000 15911.10  1996.48  ?   ?   315.158   20.873 0.000000 20.87305 
1 1 1    2   26   15 o  320.730   21.216 16514.16  2065.16   0.0000   0.0000 16514.16  2065.16  ?   ?   320.730   21.216 0.000000 21.21565 
1 1 1    2   26   16 o  170.097   13.667  4532.38  703.574   0.0000   0.0000  4532.38  703.574  ?   ?   170.097   13.667 0.000000 13.66716 
1 1 1    2   26   17 o   74.375   13.981  889.007  305.720   0.0000   0.0000  889.007  305.720  ?   ?    74.375   13.981 0.000000 13.98057 
1 1 1    2   26   18 o  232.019   6.6526  8256.88  471.124  8108.90  516.442  8990.77  1150.11  229.801   7.3630  238.841   15.867 -9.040283 17.49196 
1 1 1    2   26   19 o  186.014   5.5999  5299.87  317.941  5229.06  789.810  5313.56  347.326  182.421   14.300  186.189   6.1117 -3.768387 15.55092 
1 1 1    2   26   20 o  105.034   4.3535  1687.45  139.569  1431.94  387.442  1725.56  149.614   94.872   13.783  106.198   4.6157 -11.32587 14.53539 
1 1 1    2   26   21 o   25.827   7.2287  105.313   59.234   0.0000   0.0000  105.313   59.234  ?   ?    25.827   7.2287 0.000000 7.228741 
1 1 1    2   26   22 o  128.342   12.678  2588.65  490.149   0.0000   0.0000  2588.65  490.149  ?   ?   128.342   12.678 0.000000 12.67818 
1 1 1    2   26   23 o  261.156   18.013 10900.05  1427.01   0.0000   0.0000 10900.05  1427.01  ?   ?   261.156   18.013 0.000000 18.01253 
1 1 1    2   26   24 o  118.025   12.604  2195.21  447.033   0.0000   0.0000  2195.21  447.033  ?   ?   118.025   12.604 0.000000 12.60431 
1 1 1    2   26   25 o  115.865   8.8818  2083.68  311.711  2035.91  447.327  2128.78  434.600  113.394   13.170  116.201   12.447 -2.807777 18.12127 
1 1 1    2   26   26 o   63.925   10.965  651.809  206.233  676.168  301.312  630.340  282.876   64.174   15.547   62.021   15.087 2.153114 21.66424 
1 1 1    2   26   27 o   69.217   3.3654  732.473   71.100  764.937  102.549  702.421   98.664   70.509   4.7936   67.550   4.8170 2.958748 6.795710 
1 1 1    2   26   28 o   72.347   3.3413  800.275   73.783  828.628  106.301  773.916  102.493   73.394   4.7712   70.920   4.7625 2.473763 6.741328 
1 1 1    2   26   29 o   17.896   6.1035   45.206   39.975   65.438   58.358   27.321   54.868   21.535   7.3744   17.650   6.9442 3.885170 10.12939 
1 1 1    2   26   30 o   48.111   9.7579  372.008  138.389  429.122  166.944  246.550  247.425   51.517   10.954   42.181   15.126 9.336475 18.67598 
1 1 1    2   26   31 o   17.119   6.7745   24.527   52.501   36.501   60.796 -10.5913  104.116   19.072   7.3646   20.773   8.9749 -1.700975 11.60972 
1 1 1    2   26   32 o   88.783   28.719  1441.45  887.675  1441.45  887.675   0.0000   0.0000   88.783   28.719  ?   ?  0.000000 28.71920 
1 1 1    2   26   33 o  136.389   12.062  2955.66  496.968  3475.02  974.746  2773.24  577.690  140.895   23.494  130.836   14.722 10.05878 27.72511 
1 1 1    2   26   34 o   97.997   12.597  1546.18  368.052  1908.71  904.746  1474.29  402.896  100.110   28.333   94.943   14.351 5.167198 31.76035 
1 1 1    2   26   35 o   41.307   15.102  235.718  248.204   33.505  847.979  254.665  259.572   56.430   24.961   42.545   15.461 13.88545 29.36139 
1 1 1    2   26   36 o   96.511   12.140  1503.92  349.688  2042.51  884.704  1404.19  380.687  102.552   27.639   92.433   13.926 10.11884 30.94875 
1 1 1    2   26   37 o   48.227   13.801  387.160  213.434  449.897  815.842  382.551  221.136   61.947   25.869   47.995   14.139 13.95237 29.48047 
1 1 1    2   26   38 o   58.669   19.830  587.649  421.937  714.818  814.544  541.012  493.275   66.787   26.603   57.889   21.271 8.897987 34.06120 
1 1 1    2   26   39 o   65.944   19.567  780.500  422.258  1006.78  804.336  694.411  496.123   72.833   27.087   62.663   21.501 10.16936 34.58320 
1 1 1    2   27    0 o  235.295   17.442  8692.78  1236.83  8692.78  1236.83  8692.78  1236.83  235.295   17.442  235.295   17.442 -0.000000 0.000000 
1 1 1    2   27    1 o  333.762   15.229 17425.41  1551.36 18283.05  2198.00 16574.07  2189.92  337.270   21.463  320.228   22.549 17.04175 31.13117 
1 1 1    2   27    2 o  283.270   13.280 12479.00  1148.21 14014.48  1633.27 10978.56  1614.52  297.342   18.082  261.728   20.371 35.61398 27.23865 
1 1 1    2   27    3 o  215.494   11.703  7212.17  766.888 10027.89  1085.18  4403.02  1083.91  253.260   14.094  164.299   22.181 88.96092 26.28035 
1 1 1    2   27    4 o  162.585   11.088  4106.14  546.955  4907.87  768.237  3282.01  778.895  176.816   14.359  143.054   18.255 33.76164 23.22534 
1 1 1    2   27    5 o  152.177   10.995  3598.66  507.268  2691.65  701.092  4595.17  734.870  129.339   18.268  171.099   14.200 -41.76015 23.13781 
1 1 1    2   27    6 f  180.370   15.702  5134.64  855.792  5134.64  855.792   0.0000   0.0000  180.370   15.702  ?   ?  0.000000 15.70153 
1 1 1    2   27    7 o  313.976   14.338 15387.64  1374.09 16369.70  1953.51 14425.93  1933.16  319.868   20.111  299.373   21.295 20.49472 29.29080 
1 1 1    2   27    8 o  241.049   5.7728  8900.52  424.725  9483.04  466.890  6105.41  1022.72  248.750   6.1494  196.089   17.264 52.66084 18.32644 
1 1 1    2   27    9 o  255.975   6.1329 10042.14  479.160 10630.09  526.794  7225.00  1153.12  263.282   6.5554  213.087   17.895 50.19543 19.05833 
1 1 1    2   27   10 o   51.889   15.815  425.587  273.141   0.0000   0.0000  425.587  273.141  ?   ?    51.889   15.815 0.000000 15.81514 
1 1 1    2   27   11 o  282.299   19.100 12727.21  1636.03   0.0000   0.0000 12727.21  1636.03  ?   ?   282.299   19.100 0.000000 19.09980 
1 1 1    2   27   12 o  164.278   13.581  4234.83  674.854   0.0000   0.0000  4234.83  674.854  ?   ?   164.278   13.581 0.000000 13.58080 
1 1 1    2   27   13 o  131.322   12.790  2707.31  506.169   0.0000   0.0000  2707.31  506.169  ?   ?   131.322   12.790 0.000000 12.79049 
1 1 1    2   27   14 f   43.167   12.454  296.264  173.168  243.234  240.481  353.376  249.564   42.072   14.931   47.786   15.204 -5.713291 21.30925 
1 1 1    2   27   15 o  157.427   9.2305  3835.19  441.587  3879.96  623.460  3790.12  625.543  157.257   13.109  155.344   13.322 1.913269 18.68983 
1 1 1    2   27   16 o   69.669   4.4139  745.556   93.375  745.547   98.673  745.632  288.845   69.642   4.6691   67.787   14.405 1.854874 15.14242 
1 1 1    2   27   17 o  192.735   5.7736  5693.83  339.646  5667.25  371.410  5829.62  839.386  192.199   6.3312  192.348   14.402 -0.1483154 15.73213 
1 1 1    2   27   18 o   83.729   9.2101  1094.72  231.483  1187.31  328.171  1003.03  326.567   86.372   12.839   78.926   14.072 7.446152 19.04894 
1 1 1    2   27   19 f  171.124   5.3643  4486.92  280.185  4534.42  701.002  4477.89  305.662  169.679   13.651  170.886   5.8603 -1.207321 14.85574 
1 1 1    2   27   20 o   73.419   4.5422  828.204  101.286  1070.13  309.264  799.137  107.199   81.872   12.795   72.073   4.9021 9.799011 13.70151 
1 1 1    2   27   21 o   37.974   4.6255  224.009   52.504  216.158   67.695  235.861   83.176   37.035   6.2084   38.531   7.3405 -1.495888 9.613874 
1 1 1    2   27   22 o  211.396   5.9983  6858.03  387.028  6952.03  423.887  6386.97  948.930  212.731   6.5283  200.267   15.648 12.46437 16.95563 
1 1 1    2   27   23 o  112.688   12.530  2009.51  423.666   0.0000   0.0000  2009.51  423.666  ?   ?   112.688   12.530 0.000000 12.52982 
1 1 1    2   27   24 o  119.469   12.508  2258.05  449.344   0.0000   0.0000  2258.05  449.344  ?   ?   119.469   12.508 0.000000 12.50816 
1 1 1    2   27   25 o   54.738   15.041  490.868  259.042   0.0000   0.0000  490.868  259.042  ?   ?    54.738   15.041 0.000000 15.04103 
1 1 1    2   27   26 o   92.400   4.6834  1311.65  131.652   0.0000   0.0000  1311.65  131.652  ?   ?    92.400   4.6834 0.000000 4.683358 
1 1 1    2   27   27 o  182.289   4.3000  5089.81  239.246  5053.54  339.101  5125.76  337.595  181.297   6.1280  182.604   6.0572 -1.306458 8.616375 
1 1 1    2   27   28 o  106.862   13.122  1829.81  419.013  1829.81  419.013   0.0000   0.0000  106.862   13.122  ?   ?  0.000000 13.12234 
1 1 1    2   27   29 o  105.537   13.184  1790.20  415.419  1790.20  415.419   0.0000   0.0000  105.537   13.184  ?   ?  0.000000 13.18394 
1 1 1    2   27   30 o  155.247   12.011  3827.23  564.700  5050.35  1077.55  3364.13  663.041  172.117   20.943  143.739   15.350 28.37776 25.96627 
1 1 1    2   27   31 o   35.773   15.827 -68.0360  341.128   0.0000   0.0000 -68.0360  341.128  ?   ?    35.773   15.827 0.000000 15.82738 
1 1 1    2   27   32 o  144.196   10.566  3288.96  461.782   0.0000   0.0000  3288.96  461.782  ?   ?   144.196   10.566 0.000000 10.56577 
1 1 1    2   27   33 o   87.108   12.994  1239.46  334.917   0.0000   0.0000  1239.46  334.917  ?   ?    87.108   12.994 0.000000 12.99445 
1 1 1    2   27   34 o  157.311   5.5700  3814.91  267.444   0.0000   0.0000  3814.91  267.444  ?   ?   157.311   5.5700 0.000000 5.570036 
1 1 1    2   27   35 o   42.235   8.4805  288.417  105.526  163.852  199.216  337.000  124.414   35.731   13.443   45.543   9.2654 -9.812088 16.32651 
1 1 1    2   27   36 o   35.975   13.151  179.386  188.203  203.128  194.783 -154.3412  730.267   37.460   13.422   48.791   22.231 -11.33132 25.96847 
1 1 1    2   27   37 o  126.072   23.802  3011.80  882.339   0.0000   0.0000  3011.80  882.339  ?   ?   126.072   23.802 0.000000 23.80232 
1 1 1    2   28    0 o  327.676   21.770 16969.95  2155.24 16969.95  2155.24 16969.95  2155.24  327.676   21.770  327.676   21.770 -0.000000 0.000000 
1 1 1    2   28    1 o  284.535   13.536 12642.01  1175.60 14293.91  1667.38 11009.13  1657.75  299.245   18.344  260.697   21.012 38.54834 27.89280 
1 1 1    2   28    2 o  196.262   10.967  5985.75  654.326  8705.48  940.595  3435.38  910.837  235.937   13.113  144.680   21.260 91.25728 24.97892 
1 1 1    2   28    3 o  273.737   13.267 11691.76  1108.43 10929.31  1555.45 12478.43  1579.95  260.616   19.700  279.296   18.641 -18.67990 27.12113 
1 1 1    2   28    5 o  301.672   20.870 14725.02  1909.87   0.0000   0.0000 14725.02  1909.87  ?   ?   301.672   20.870 0.000000 20.87034 
1 1 1    2   28    6 o   63.158   22.066  595.791  523.699   0.0000   0.0000  595.791  523.699  ?   ?    63.158   22.066 0.000000 22.06593 
1 1 1    2   28    8 o   43.845   15.350  272.106  253.473   0.0000   0.0000  272.106  253.473  ?   ?    43.845   15.350 0.000000 15.34952 
1 1 1    2   28    9 o  330.445   7.8099 16801.04  787.698 17536.83  866.392 13293.71  1891.58  337.383   8.4134  285.414   21.880 51.96912 23.44204 
1 1 1    2   28   10 o  224.454   5.4494  7719.67  373.328  8263.09  410.386  5111.81  899.010  232.159   5.7915  178.978   16.648 53.18083 17.62637 
1 1 1    2   28   11 o   85.311   11.088  1147.53  281.894  1469.92  517.241  1011.32  336.213   94.443   18.605   79.126   14.454 15.31689 23.56003 
1 1 1    2   28   12 o  122.670   8.7433  2332.67  325.219  2416.75  455.745  2245.44  464.231  123.981   12.201  119.237   12.965 4.744560 17.80333 
1 1 1    2   28   13 o  267.348   12.603 11158.41  1028.45 11056.82  1453.04 11260.38  1455.86  262.374   18.258  264.890   18.116 -2.515808 25.72023 
1 1 1    2   28   14 o   40.985   12.463  264.003  169.768  406.493  235.277  109.231  245.207   50.247   14.522   36.378   14.561 13.86895 20.56482 
1 1 1    2   28   15 o  162.762   5.3138  4060.22  263.982  3974.62  287.713  4515.84  663.774  160.963   5.8562  169.425   12.934 -8.462006 14.19762 
1 1 1    2   28   16 o   28.534   6.1441  129.761   51.929  143.309   53.491 -91.9968  216.419   30.028   6.0455   27.627   12.390 2.401165 13.78579 
1 1 1    2   28   17 f  195.884   10.253  5970.17  610.908  5876.50  863.409  6064.07  864.500  192.352   14.820  195.530   14.591 -3.178223 20.79738 
1 1 1    2   28   18 o  168.483   9.5126  4410.56  487.186  4432.12  688.418  4388.93  689.554  167.365   13.594  166.502   13.690 0.8634796 19.29249 
1 1 1    2   28   19 o  259.665   12.322 10559.21  976.581 10667.29  1385.77 10452.58  1376.47  256.963   17.778  254.299   17.847 2.663757 25.19057 
1 1 1    2   28   20 o  210.976   4.7098  6819.85  303.288  7062.33  429.110  6577.81  428.719  214.296   6.5605  206.757   6.7935 7.538834 9.444152 
1 1 1    2   28   21 o   20.523   6.3228   64.635   43.516   87.335   54.549   24.904   72.166   23.662   7.0355   19.413   7.8536 4.249199 10.54408 
1 1 1    2   28   22 o  257.535   6.9665 10217.90  547.607 10317.10  601.050  9733.29  1328.43  258.545   7.6165  244.442   17.930 14.10245 19.48083 
1 1 1    2   28   23 o   40.832   12.399  264.773  168.109  209.255  244.273  314.726  231.709   40.282   14.938   45.000   14.681 -4.718243 20.94454 
1 1 1    2   28   24 o  111.822   12.691  1997.21  425.475  1997.21  425.475   0.0000   0.0000  111.822   12.691  ?   ?  0.000000 12.69081 
1 1 1    2   28   30 o   48.351   13.978  388.749  217.950  388.749  217.950   0.0000   0.0000   48.351   13.978  ?   ?  0.000000 13.97812 
1 1 1    2   28   31 o   71.323   9.5318  812.940  202.312  852.878  215.120  507.173  595.219   72.949   9.9186   58.738   22.942 14.21168 24.99425 
1 1 1    2   28   32 o   47.214   12.516  372.112  183.285   0.0000   0.0000  372.112  183.285  ?   ?    47.214   12.516 0.000000 12.51595 
1 1 1    2   28   33 o   88.997   7.6884  1244.58  206.796   0.0000   0.0000  1244.58  206.796  ?   ?    88.997   7.6884 0.000000 7.688430 
1 1 1    2   28   34 o  114.785   24.899  2564.97  847.259   0.0000   0.0000  2564.97  847.259  ?   ?   114.785   24.899 0.000000 24.89938 
1 1 1    2   29    2 o  168.587   16.704  4562.66  848.216   0.0000   0.0000  4562.66  848.216  ?   ?   168.587   16.704 0.000000 16.70400 
1 1 1    2   29    3 o  130.691   11.127  2674.82  439.641  2836.18  632.086  2523.61  611.898  132.906   15.897  125.064   16.427 7.842323 22.85989 
1 1 1    2   29    4 o  178.054   15.869  5063.52  853.398  5063.52  853.398   0.0000   0.0000  178.054   15.869  ?   ?  0.000000 15.86938 
1 1 1    2   29    5 o  116.501   12.106  2140.25  424.179  1978.52  571.114  2339.22  633.483  110.036   17.598  119.712   17.886 -9.675735 25.09145 
1 1 1    2   29    6 o   80.766   19.896  1097.24  487.269  1097.24  487.269   0.0000   0.0000   80.766   19.896  ?   ?  0.000000 19.89631 
1 1 1    2   29    7 o  202.185   16.274  6541.07  995.816  6541.07  995.816   0.0000   0.0000  202.185   16.274  ?   ?  0.000000 16.27450 
1 1 1    2   29    8 o  180.408   15.775  5203.17  859.903  5203.17  859.903   0.0000   0.0000  180.408   15.775  ?   ?  0.000000 15.77480 
1 1 1    2   29    9 o  115.628   9.5419  2084.62  333.748  2901.83  556.675  1626.05  417.005  135.183   13.680  100.754   13.933 34.42924 19.52611 
1 1 1    2   29   10 o  115.303   4.5996  2036.20  161.876  2151.29  177.757  1477.03  391.807  118.487   4.9152   95.973   13.770 22.51392 14.62081 
1 1 1    2   29   11 o  102.873   12.684  1682.57  389.831   0.0000   0.0000  1682.57  389.831  ?   ?   102.873   12.684 0.000000 12.68400 
1 1 1    2   29   12 o   52.188   13.799  444.890  223.165  629.903  452.057  385.271  256.615   62.560   20.510   49.250   15.384 13.30955 25.63882 
1 1 1    2   29   13 o   40.646   13.844  243.716  205.668  655.755  439.038  127.874  232.791   63.342   20.167   36.339   14.302 27.00286 24.72329 
1 1 1    2   29   14 o  152.179   4.9471  3550.32  229.786  3304.68  577.695  3596.49  250.451  144.264   13.268  153.105   5.3594 -8.841370 14.30993 
1 1 1    2   29   15 o  130.041   4.7502  2591.93  188.542  2556.14  204.383  2796.30  488.431  129.087   5.1874  132.981   12.169 -3.894180 13.22807 
1 1 1    2   29   16 o   31.689   6.2756  159.778   58.551  148.822   60.747  303.151  219.755   30.507   6.7067   44.153   14.290 -13.64650 15.78570 
1 1 1    2   29   17 o  166.454   9.4353  4318.67  477.392  4292.74  674.974  4344.62  675.297  164.132   13.596  165.169   13.514 -1.037308 19.16931 
1 1 1    2   29   18 o   66.580   9.7851  704.024  192.917  761.645  273.432  646.911  272.223   68.216   13.610   62.538   14.537 5.677055 19.91368 
1 1 1    2   29   19 o   70.665   9.4450  790.047  198.617  844.648  281.954  736.266  279.830   71.959   13.328   66.832   14.158 5.126213 19.44480 
1 1 1    2   29   20 o   72.956   4.5855  819.435  101.589  819.435  101.589   0.0000   0.0000   72.956   4.5855  ?   ?  0.000000 4.585465 
1 1 1    2   29   21 f  171.377   5.8626  4519.95  306.663  4519.95  306.663   0.0000   0.0000  171.377   5.8626  ?   ?  0.000000 5.862623 
1 1 1    2   29   22 o   63.220   14.453  666.001  272.810  666.001  272.810   0.0000   0.0000   63.220   14.453  ?   ?  0.000000 14.45301 
1 1 1    2   30    0 o  164.999   15.708  4337.60  774.611  4337.60  774.611  4337.60  774.611  164.999   15.708  164.999   15.708 -0.000000 0.000000 
1 1 1    2   30    1 o   93.007   11.561  1373.75  321.113  1323.55  510.104  1406.71  413.275   88.405   19.434   92.920   15.090 -4.514793 24.60442 
1 1 1    2   30    2 o  110.740   12.271  1948.29  407.779   0.0000   0.0000  1948.29  407.779  ?   ?   110.740   12.271 0.000000 12.27060 
1 1 1    2   30    3 o  140.214   10.669  3084.48  453.180  3317.96  648.546  2861.71  633.505  143.598   15.019  132.827   15.945 10.77060 21.90455 
1 1 1    2   30    4 f  122.582   11.588  2373.76  428.427  2326.62  580.422  2430.19  635.029  119.400   16.357  121.449   17.647 -2.049622 24.06179 
1 1 1    2   30    5 o  130.142   8.6612  2634.87  342.076  2784.54  602.149  2563.56  415.663  131.248   15.319  127.702   10.765 3.546127 18.72331 
1 1 1    2   30    6 o  156.278   10.152  3820.53  481.618  4437.86  705.830  3282.69  658.818  166.706   14.001  142.554   15.385 24.15237 20.80268 
1 1 1    2   30    7 o  114.323   8.2057  2032.32  284.426  1824.35  533.226  2115.02  336.257  105.034   17.230  116.258   9.5608 -11.22428 19.70521 
1 1 1    2   30    8 o  502.225   39.875 51410.57  6062.19 51410.57  6062.19   0.0000   0.0000  502.225   39.875  ?   ?  0.000000 39.87514 
1 1 1    2   30    9 o  250.765   18.516 10345.15  1407.20 10345.15  1407.20   0.0000   0.0000  250.765   18.516  ?   ?  0.000000 18.51630 
1 1 1    2   30   10 o  123.857   16.072  2506.94  593.278  2506.94  593.278   0.0000   0.0000  123.857   16.072  ?   ?  0.000000 16.07242 
1 1 1    2   30   11 o   41.352   7.9232  273.197   96.363  286.827  105.953  207.964  231.788   42.284   8.5044   39.640   14.578 2.643826 16.87766 
1 1 1    2   30   12 o   50.541   13.499  420.336  212.170  479.371  428.792  401.197  244.153   56.069   19.933   49.629   14.914 6.440479 24.89478 
1 1 1    2   30   13 o   88.088   10.095  1227.38  266.533  1506.60  478.910  1102.09  320.807   94.911   17.164   82.391   13.203 12.52029 21.65409 
1 1 1    2   30   14 o   95.988   17.852  1553.69  503.784  1553.69  503.784   0.0000   0.0000   95.988   17.852  ?   ?  0.000000 17.85230 
1 1 1    2   30   15 o  107.583   5.3527  1779.21  175.766  1779.21  175.766   0.0000   0.0000  107.583   5.3527  ?   ?  0.000000 5.352712 
1 1 1    2   30   16 o   71.069   4.5267  778.076   97.683  778.076   97.683   0.0000   0.0000   71.069   4.5267  ?   ?  0.000000 4.526738 
1 1 1    2   30   17 o   50.456   14.333  422.118  231.087  422.118  231.087   0.0000   0.0000   50.456   14.333  ?   ?  0.000000 14.33289 
1 1 1    2   30   18 o   87.569   12.490  1243.54  324.380  1243.54  324.380   0.0000   0.0000   87.569   12.490  ?   ?  0.000000 12.49025 
1 1 1    2   31    0 o  168.086   10.742  4410.61  545.952  4410.61  545.952  4410.61  545.952  168.086   10.742  168.086   10.742 0.000000 0.000000 
1 1 1    2   31    1 f  321.579   15.318 16759.49  1503.55   0.0000   0.0000 16759.49  1503.55  ?   ?   321.579   15.318 0.000000 15.31840 
1 1 1    2   31    2 o  139.215   10.803  3065.61  455.458  3350.88  643.840  2779.85  644.389  143.369   14.932  129.443   16.699 13.92665 22.40185 
1 1 1    2   31    3 o  269.259   19.755 12258.85  1612.19   0.0000   0.0000 12258.85  1612.19  ?   ?   269.259   19.755 0.000000 19.75470 
1 1 1    2   31    4 o   97.929   13.539  1559.73  393.851   0.0000   0.0000  1559.73  393.851  ?   ?    97.929   13.539 0.000000 13.53879 
1 1 1    2   31    5 o  215.199   11.431  7336.76  748.112  7149.03  1070.05  7516.25  1046.32  207.880   17.014  213.999   16.138 -6.119278 23.44983 
1 1 1    2   31    6 o  124.211   9.0752  2419.86  341.680  3248.22  546.773  1889.14  437.658  142.260   12.727  107.829   13.600 34.43023 18.62639 
1 1 1    2   31    7 o  137.738   5.0729  2916.19  213.270  2988.79  226.433  2345.65  634.770  139.392   5.3221  117.599   18.278 21.79355 19.03729 
1 1 1    2   31    8 o  114.177   11.493  2082.66  395.086  2504.86  537.364  1585.93  582.877  123.767   14.500   94.858   20.712 28.90890 25.28329 
1 1 1    2   31    9 o  125.174   15.541  2589.28  580.990  2589.28  580.990   0.0000   0.0000  125.174   15.541  ?   ?  0.000000 15.54120 
1 1 1    2   31   10 f  114.308   16.022  2177.42  543.645  2177.42  543.645   0.0000   0.0000  114.308   16.022  ?   ?  0.000000 16.02206 
1 1 1    2   31   11 o  103.529   5.3605  1654.39  168.809  1654.39  168.809   0.0000   0.0000  103.529   5.3605  ?   ?  0.000000 5.360528 
1 1 1    2   31   12 o   34.108   11.093  179.890  132.331  179.890  132.331   0.0000   0.0000   34.108   11.093  ?   ?  0.000000 11.09296 
1 1 1    2   31   13 o   98.404   17.244  1653.04  499.037  1653.04  499.037   0.0000   0.0000   98.404   17.244  ?   ?  0.000000 17.24372 
1 1 1    2   31   14 o  129.132   15.427  2774.89  595.990  2774.89  595.990   0.0000   0.0000  129.132   15.427  ?   ?  0.000000 15.42668 
1 1 1    2   32    0 o   67.709   23.677  956.370  442.953  956.370  442.953  956.370  442.953   67.709   23.677   67.709   23.677 -0.000000 0.000000 
1 1 1    2   32    1 o  104.573   11.465  1765.11  359.936  1584.56  503.825  1953.31  514.392   95.419   17.958  107.332   16.206 -11.91325 24.18990 
1 1 1    2   32    2 o   89.516   12.527  1312.12  332.900  1176.16  464.254  1456.02  477.612   81.281   19.046   91.494   17.743 -10.21284 26.03017 
1 1 1    2   32    3 o  149.428   10.455  3557.40  473.819  3606.24  668.092  3507.97  672.089  147.204   15.083  144.891   15.435 2.313614 21.58065 
1 1 1    2   32    4 o  117.673   10.615  2215.35  377.146  2534.30  537.678  1906.43  529.153  123.548   14.536  105.418   17.026 18.13030 22.38714 
1 1 1    2   32    5 o   73.065   13.644  893.001  293.088  1352.80  424.547  474.335  405.113   88.903   16.244   54.069   19.359 34.83467 25.27109 
1 1 1    2   32    6 o  131.670   10.669  2773.32  425.080  2908.68  583.106  2619.81  620.987  132.234   14.696  123.868   16.863 8.365974 22.36841 
1 1 1    2   32    7 o   62.501   19.296  694.703  405.042  694.703  405.042   0.0000   0.0000   62.501   19.296  ?   ?  0.000000 19.29583 
1 1 1    2   32    8 o   99.265   4.8753  1517.43  147.713  1558.31  154.267  1066.80  512.190  100.565   5.0259   75.874   21.264 24.69135 21.84953 
1 1 1    2   32    9 o   49.789   19.833  317.714  452.712   0.0000   0.0000  317.714  452.712  ?   ?    49.789   19.833 0.000000 19.83270 
1 1 1    3    0    1 f  891.494   23.513 121934.30  6387.85 121934.30  6387.85 121934.30  6387.85  891.494   23.513  891.494   23.513 -0.000000 0.000000 
1 1 1    3    0    2 o   39.940   2.7603  246.933   33.281  246.933   33.281  246.933   33.281   39.940   2.7603   39.940   2.7603 0.000000 0.000000 
1 1 1    3    0    3 o  160.767   12.424  4018.16  601.283  4018.16  601.283  4018.16  601.283  160.767   12.424  160.767   12.424 0.000000 0.000000 
1 1 1    3    0    4 o  312.164   19.902 15087.42  1878.62 15087.42  1878.62 15087.42  1878.62  312.164   19.902  312.164   19.902 -0.000000 0.000000 
1 1 1    3    0    5 o  810.214   15.344 100438.00  3791.36 100438.00  3791.36 100438.00  3791.36  810.214   15.344  810.214   15.344 -0.000000 0.000000 
1 1 1    3    0    6 o  703.824   13.393 75770.79  2874.73 75770.79  2874.73 75770.79  2874.73  703.824   13.393  703.824   13.393 0.000000 0.000000 
1 1 1    3    0    7 o  1383.09   37.104 295346.19 15637.96 295346.19 15637.96 295346.19 15637.96  1383.09   37.104  1383.09   37.104 -0.000000 0.000000 
1 1 1    3    0    8 o  275.040   6.2284 11565.65  522.259 11565.65  522.259 11565.65  522.259  275.040   6.2284  275.040   6.2284 0.000000 0.000000 
1 1 1    3    0    9 o  1127.20   24.714 195149.80  8493.46 195149.80  8493.46 195149.80  8493.46  1127.20   24.714  1127.20   24.714 0.000000 0.000000 
1 1 1    3    0   10 o  736.907   14.563 83130.90  3272.66 83130.90  3272.66 83130.90  3272.66  736.907   14.563  736.907   14.563 -0.000000 0.000000 
1 1 1    3    0   11 o  700.296   42.289 77035.57  8963.57 77035.57  8963.57 77035.57  8963.57  700.296   42.289  700.296   42.289 -0.000000 0.000000 
1 1 1    3    0   12 o  135.322   3.5882  2800.95  147.970  2800.95  147.970  2800.95  147.970  135.322   3.5882  135.322   3.5882 0.000000 0.000000 
1 1 1    3    0   13 o   71.413   12.653  849.116  249.960  849.116  249.960  849.116  249.960   71.413   12.653   71.413   12.653 -0.000000 0.000000 
1 1 1    3    0   14 o  342.075   9.7281 17924.33  1013.84 17924.33  1013.84 17924.33  1013.84  342.075   9.7281  342.075   9.7281 0.000000 0.000000 
1 1 1    3    0   15 o  327.680   9.3758 16446.52  935.988 16446.52  935.988 16446.52  935.988  327.680   9.3758  327.680   9.3758 0.000000 0.000000 
1 1 1    3    0   16 o  303.706   6.1279 14100.49  567.522 14100.49  567.522 14100.49  567.522  303.706   6.1279  303.706   6.1279 -0.000000 0.000000 
1 1 1    3    0   17 o  629.126   15.567 60682.54  2985.17 60682.54  2985.17 60682.54  2985.17  629.126   15.567  629.126   15.567 -0.000000 0.000000 
1 1 1    3    0   18 o   31.027   3.0274  151.080   28.043  151.080   28.043  151.080   28.043   31.027   3.0274   31.027   3.0274 0.000000 0.000000 
1 1 1    3    0   19 o  623.784   11.326 59505.65  2154.85 59505.65  2154.85 59505.65  2154.85  623.784   11.326  623.784   11.326 -0.000000 0.000000 
1 1 1    3    0   20 o  124.299   3.4894  2363.67  132.149  2363.67  132.149  2363.67  132.149  124.299   3.4894  124.299   3.4894 -0.000000 0.000000 
1 1 1    3    0   21 o  402.721   7.8720 24789.92  966.786 24789.92  966.786 24789.92  966.786  402.721   7.8720  402.721   7.8720 0.000000 0.000000 
1 1 1    3    0   22 o  421.088   8.1371 27102.04  1044.95 27102.04  1044.95 27102.04  1044.95  421.088   8.1371  421.088   8.1371 0.000000 0.000000 
1 1 1    3    0   23 f  233.817   4.0854  8351.82  291.359  8351.82  291.359  8351.82  291.359  233.817   4.0854  233.817   4.0854 0.000000 0.000000 
1 1 1    3    0   24 o  658.439   9.9929 66249.51  2007.23 66249.51  2007.23 66249.51  2007.23  658.439   9.9929  658.439   9.9929 0.000000 0.000000 
1 1 1    3    0   25 o  353.875   4.9805 19125.49  537.710 19125.49  537.710 19125.49  537.710  353.875   4.9805  353.875   4.9805 0.000000 0.000000 
1 1 1    3    0   26 o  286.030   5.9508 12504.66  519.014 12504.66  519.014 12504.66  519.014  286.030   5.9508  286.030   5.9508 0.000000 0.000000 
1 1 1    3    0   27 o  466.377   12.209 33295.03  1735.31 33295.03  1735.31 33295.03  1735.31  466.377   12.209  466.377   12.209 0.000000 0.000000 
1 1 1    3    0   28 o  903.429   13.446 124796.50  3705.97 124796.50  3705.97 124796.50  3705.97  903.429   13.446  903.429   13.446 0.000000 0.000000 
1 1 1    3    0   29 o  879.128   13.168 118173.20  3531.68 118173.20  3531.68 118173.20  3531.68  879.128   13.168  879.128   13.168 0.000000 0.000000 
1 1 1    3    0   30 o  118.242   4.7107  2144.18  169.397  2144.18  169.397  2144.18  169.397  118.242   4.7107  118.242   4.7107 0.000000 0.000000 
1 1 1    3    0   31 o  179.470   5.6163  4931.15  306.972  4931.15  306.972  4931.15  306.972  179.470   5.6163  179.470   5.6163 0.000000 0.000000 
1 1 1    3    0   32 o  727.203   11.106 80840.92  2463.82 80840.92  2463.82 80840.92  2463.82  727.203   11.106  727.203   11.106 0.000000 0.000000 
1 1 1    3    0   33 o   76.425   2.8253  895.070   65.701  895.070   65.701  895.070   65.701   76.425   2.8253   76.425   2.8253 -0.000000 0.000000 
1 1 1    3    0   34 o  565.724   8.5914 48910.23  1482.72 48910.23  1482.72 48910.23  1482.72  565.724   8.5914  565.724   8.5914 0.000000 0.000000 
1 1 1    3    0   35 o   61.991   3.7732  593.050   70.788  593.050   70.788  593.050   70.788   61.991   3.7732   61.991   3.7732 0.000000 0.000000 
1 1 1    3    0   36 o   56.137   3.3644  486.161   57.172  486.161   57.172  486.161   57.172   56.137   3.3644   56.137   3.3644 -0.000000 0.000000 
1 1 1    3    0   37 o  357.243   5.6799 19501.05  618.975 19501.05  618.975 19501.05  618.975  357.243   5.6799  357.243   5.6799 -0.000000 0.000000 
1 1 1    3    0   38 o  657.908   10.358 66234.33  2078.90 66234.33  2078.90 66234.33  2078.90  657.908   10.358  657.908   10.358 0.000000 0.000000 
1 1 1    3    0   39 o  555.941   10.807 47337.24  1832.30 47337.24  1832.30 47337.24  1832.30  555.941   10.807  555.941   10.807 -0.000000 0.000000 
1 1 1    3    0   40 o  247.203   5.4141  9345.85  408.063  9345.85  408.063  9345.85  408.063  247.203   5.4141  247.203   5.4141 -0.000000 0.000000 
1 1 1    3    0   41 o  300.214   7.3124 13797.94  669.153 13797.94  669.153 13797.94  669.153  300.214   7.3124  300.214   7.3124 0.000000 0.000000 
1 1 1    3    0   42 f  113.886   12.343  2056.01  416.293  2056.01  416.293  2056.01  416.293  113.886   12.343  113.886   12.343 -0.000000 0.000000 
1 1 1    3    0   43 o  247.613   16.975  9565.33  1269.07  9565.33  1269.07  9565.33  1269.07  247.613   16.975  247.613   16.975 -0.000000 0.000000 
1 1 1    3    0   44 o  182.167   4.1677  5075.03  231.454  5075.03  231.454  5075.03  231.454  182.167   4.1677  182.167   4.1677 0.000000 0.000000 
1 1 1    3    0   45 o  119.092   4.5243  2175.29  163.919  2175.29  163.919  2175.29  163.919  119.092   4.5243  119.092   4.5243 -0.000000 0.000000 
1 1 1    3    0   46 o   39.184   4.0588  241.905   47.351  241.905   47.351  241.905   47.351   39.184   4.0588   39.184   4.0588 0.000000 0.000000 
1 1 1    3    0   47 o  216.658   4.6438  7179.06  306.769  7179.06  306.769  7179.06  306.769  216.658   4.6438  216.658   4.6438 -0.000000 0.000000 
1 1 1    3    0   48 o  211.874   4.6622  6866.20  301.170  6866.20  301.170  6866.20  301.170  211.874   4.6622  211.874   4.6622 0.000000 0.000000 
1 1 1    3    0   49 o  153.187   3.2666  3587.52  152.578  3587.52  152.578  3587.52  152.578  153.187   3.2666  153.187   3.2666 -0.000000 0.000000 
1 1 1    3    0   50 o  316.835   8.3037 15390.83  801.761 15390.83  801.761 15390.83  801.761  316.835   8.3037  316.835   8.3037 0.000000 0.000000 
1 1 1    3    0   51 o  219.659   6.1600  7391.63  412.264  7391.63  412.264  7391.63  412.264  219.659   6.1600  219.659   6.1600 0.000000 0.000000 
1 1 1    3    0   52 o  329.093   8.6733 16612.61  869.841 16612.61  869.841 16612.61  869.841  329.093   8.6733  329.093   8.6733 -0.000000 0.000000 
1 1 1    3    0   53 o  117.653   3.6215  2119.67  129.769  2119.67  129.769  2119.67  129.769  117.653   3.6215  117.653   3.6215 0.000000 0.000000 
1 1 1    3    0   54 o   29.174   6.3101  146.884   49.277  146.884   49.277  146.884   49.277   29.174   6.3101   29.174   6.3101 0.000000 0.000000 
1 1 1    3    0   55 o  139.510   3.7829  2978.92  160.816  2978.92  160.816  2978.92  160.816  139.510   3.7829  139.510   3.7829 0.000000 0.000000 
1 1 1    3    0   56 o   77.970   5.9251  945.468  139.135  945.468  139.135  945.468  139.135   77.970   5.9251   77.970   5.9251 -0.000000 0.000000 
1 1 1    3    0   57 o   77.359   3.8523  920.874   90.445  920.874   90.445  920.874   90.445   77.359   3.8523   77.359   3.8523 -0.000000 0.000000 
1 1 1    3    0   58 o   17.211   9.0290   65.837   62.616   65.837   62.616   65.837   62.616   17.211   9.0290   17.211   9.0290 -0.000000 0.000000 
1 1 1    3    0   59 o  290.650   7.0898 12964.17  628.113 12964.17  628.113 12964.17  628.113  290.650   7.0898  290.650   7.0898 -0.000000 0.000000 
1 1 1    3    0   60 o  103.294   3.3332  1634.95  104.840  1634.95  104.840  1634.95  104.840  103.294   3.3332  103.294   3.3332 0.000000 0.000000 
1 1 1    3    0   62 o   71.323   4.8822  789.306  105.140  789.306  105.140  789.306  105.140   71.323   4.8822   71.323   4.8822 -0.000000 0.000000 
1 1 1    3    0   63 o  121.864   3.1792  2274.06  118.069  2274.06  118.069  2274.06  118.069  121.864   3.1792  121.864   3.1792 0.000000 0.000000 
1 1 1    3    0   64 o  160.378   5.3669  3955.36  262.051  3955.36  262.051  3955.36  262.051  160.378   5.3669  160.378   5.3669 0.000000 0.000000 
1 1 1    3    1    0 o  105.416   10.252  1744.54  322.688  1744.54  322.688  1744.54  322.688  105.416   10.252  105.416   10.252 0.000000 0.000000 
1 1 1    3    1    1 o  257.062   6.2950 10089.39  493.917 11336.93  973.440  9656.85  573.180  272.336   11.711  251.468   7.4678 20.86830 13.88923 
1 1 1    3    1    2 o  1276.58   54.156 257326.00 21101.33 251847.50 29843.37 262803.31 29840.22  1237.31   79.442  1266.11   77.591 -28.80042 111.0473 
1 1 1    3    1    3 o  600.192   11.069 55056.57  2027.70 54190.06  2739.33 56106.80  3015.78  595.074   15.082  605.365   16.322 -10.29083 22.22298 
1 1 1    3    1    4 f  733.409   30.268 83018.47  6775.60 86515.50  9583.07 79522.77  9581.23  743.575   42.400  711.987   44.309 31.58704 61.32729 
1 1 1    3    1    5 o  502.677   12.877 38644.35  1975.73   0.0000   0.0000 38644.35  1975.73  ?   ?   502.677   12.877 0.000000 12.87721 
1 1 1    3    1    6 o  427.645   6.4231 27925.00  838.392 27423.13  1156.89 28480.11  1216.71  423.675   8.9462  431.748   9.2329 -8.072723 12.85620 
1 1 1    3    1    7 o  280.659   5.3439 12025.90  457.777 10741.71  603.563 13765.16  702.410  265.200   7.4564  300.205   7.6658 -35.00500 10.69404 
1 1 1    3    1    8 f  481.438   10.671 35433.18  1568.07 35462.96  2074.02 35393.43  2395.80  481.332   14.117  480.617   16.332 0.7149048 21.58763 
1 1 1    3    1    9 o  712.045   13.397 77605.72  2911.61 75069.29  4961.27 78938.24  3596.00  698.221   23.280  717.597   16.418 -19.37634 28.48703 
1 1 1    3    1   10 o  180.296   3.7001  4962.13  203.616  4992.31  276.759  4926.52  300.634  180.824   5.0145  179.620   5.4836 1.203735 7.430698 
1 1 1    3    1   11 o  322.331   4.4780 15862.63  440.555 16343.22  595.177 15280.17  655.221  327.124   5.9610  316.271   6.7875 10.85294 9.033467 
1 1 1    3    1   12 f  200.658   3.2245  6146.22  197.488  6417.81  279.025  5873.60  279.557  205.020   4.4589  196.131   4.6699 8.889587 6.456763 
1 1 1    3    1   13 o  181.902   2.9546  5050.84  164.042  5115.82  231.927  4985.78  232.055  183.048   4.1511  180.706   4.2073 2.342560 5.910439 
1 1 1    3    1   14 o  344.695   8.4652 18168.19  890.618 17707.34  1061.81 19261.81  1635.70  340.142   10.228  354.156   15.132 -14.01389 18.26406 
1 1 1    3    1   15 o  291.540   4.6701 12979.00  415.567 12992.26  677.017 12970.97  526.403  291.546   7.6081  291.397   5.9186 0.1483154 9.639113 
1 1 1    3    1   16 o  292.727   4.7496 13084.68  424.362 13296.81  691.930 12956.78  537.271  294.953   7.6858  291.241   6.0440 3.712189 9.777623 
1 1 1    3    1   17 o  452.557   10.160 31328.70  1403.39 31585.59  1521.03 29858.01  3639.36  454.321   10.969  437.827   27.371 16.49438 29.48707 
1 1 1    3    1   18 o  470.097   14.035 33855.28  2013.86 34152.70  2848.13 33557.90  2847.92  471.266   19.801  467.113   19.975 4.153198 28.12591 
1 1 1    3    1   19 o  168.708   2.5039  4344.15  128.934  4342.08  252.365  4344.88  149.986  168.643   4.9028  168.719   2.9125 -0.7611084E-01 5.702649 
1 1 1    3    1   20 o  172.565   2.7529  4545.06  144.999  4720.21  262.841  4468.43  173.845  175.838   4.8974  171.100   3.3289 4.737900 5.921633 
1 1 1    3    1   21 o  618.017   8.0361 58339.58  1515.88 57230.82  2143.91 59448.07  2143.65  611.841   11.480  623.601   11.262 -11.76007 16.08217 
1 1 1    3    1   22 o  323.778   4.0989 16002.00  405.074 15734.38  522.915 16403.57  640.540  321.035   5.3366  327.765   6.4027 -6.729858 8.335104 
1 1 1    3    1   23 o  382.665   4.9807 22354.01  581.738 22495.06  698.636 22035.08  1050.53  383.845   5.9632  379.792   9.0624 4.052734 10.84835 
1 1 1    3    1   24 o  603.061   6.5637 55531.05  1208.17 55071.42  1680.08 56023.29  1738.65  600.411   9.1678  605.561   9.4067 -5.150269 13.13522 
1 1 1    3    1   25 o  720.731   8.3593 79342.79  1838.90 79164.22  2750.85 79487.05  2472.56  719.535   12.526  721.136   11.233 -1.601746 16.82498 
1 1 1    3    1   26 o  362.508   5.1062 20061.59  564.981 19682.71  798.789 20440.86  799.218  359.006   7.2897  365.860   7.1570 -6.853302 10.21585 
1 1 1    3    1   27 o  465.526   6.4303 33091.14  913.673 32390.86  1291.92 33791.87  1292.34  460.443   9.1927  470.306   9.0028 -9.863129 12.86685 
1 1 1    3    1   28 o  151.863   2.6424  3519.92  122.481  3418.08  219.307  3566.09  147.655  149.634   4.8018  152.853   3.1649 -3.218872 5.751001 
1 1 1    3    1   29 o  651.406   7.4839 64808.86  1487.98 64849.30  2762.35 64792.34  1766.10  650.979   13.903  651.218   8.8853 -0.2385864 16.49938 
1 1 1    3    1   30 o  754.517   8.9052 86981.96  2050.83 86839.93  2703.22 87174.58  3147.92  753.577   11.753  754.760   13.665 -1.182800 18.02354 
1 1 1    3    1   31 o  683.334   8.2254 71334.45  1715.57 69691.52  2214.94 73798.05  2712.29  675.174   10.748  694.528   12.795 -19.35394 16.70999 
1 1 1    3    1   32 o  395.687   5.2814 23904.68  637.847 23297.66  1125.64 24191.78  774.127  390.440   9.4456  398.015   6.3723 -7.575684 11.39406 
1 1 1    3    1   33 o  205.778   3.1950  6463.42  200.673  6294.88  384.583  6526.47  235.236  203.029   6.2061  206.773   3.7273 -3.744522 7.239331 
1 1 1    3    1   34 o  804.422   9.2799 98914.63  2278.47 101528.10  4447.63 97984.70  2653.05  813.182   17.919  800.392   10.860 12.78967 20.95334 
1 1 1    3    1   35 o  116.010   2.2591  2054.11   79.993  2079.22  123.260  2035.84  105.142  116.708   3.4602  115.488   2.9828 1.219940 4.568385 
1 1 1    3    1   36 o  656.440   7.1409 65847.34  1430.76 64517.29  1782.68 68254.92  2398.45  649.531   8.9920  667.593   11.771 -18.06232 14.81236 
1 1 1    3    1   37 o  607.788   6.5641 56449.41  1217.71 55290.34  1721.89 57609.07  1722.31  601.105   9.3851  613.612   9.1960 -12.50757 13.13951 
1 1 1    3    1   38 o  281.217   3.3755 12073.90  289.735 11969.53  354.735 12283.03  502.165  279.969   4.1512  283.528   5.8027 -3.558685 7.134747 
1 1 1    3    1   39 o  570.045   8.5824 49744.44  1493.26 48704.11  2430.84 50374.95  1892.41  562.566   14.157  573.128   10.818 -10.56213 17.81699 
1 1 1    3    1   40 o  370.015   6.9549 20941.62  785.470 19936.38  2565.06 21045.64  825.107  356.031   23.741  370.892   7.2886 -14.86090 24.83418 
1 1 1    3    1   41 o  398.842   4.8939 24306.07  595.759 24487.00  785.028 24060.36  914.855  400.147   6.4276  396.487   7.5597 3.660004 9.922868 
1 1 1    3    1   42 o  134.954   3.3273  2781.11  137.057  2726.02  192.109  2838.21  195.592  133.570   4.7122  136.292   4.7018 -2.721237 6.656703 
1 1 1    3    1   43 o  211.975   3.2435  6861.50  209.851  6976.81  290.202  6735.12  303.815  213.691   4.4494  209.941   4.7413 3.750122 6.502028 
1 1 1    3    1   44 o  838.606   10.026 107985.80  2566.17 106573.30  3312.92 110104.50  4057.45  831.336   13.056  843.002   15.769 -11.66620 20.47264 
1 1 1    3    1   45 o  333.265   4.1257 16968.54  419.668 17084.38  656.920 16888.66  545.493  334.137   6.4413  332.352   5.3774 1.784576 8.390859 
1 1 1    3    1   46 o  375.332   4.2629 21525.49  488.356 21337.73  690.825 21713.04  690.455  373.457   6.0605  376.736   6.0046 -3.278656 8.531399 
1 1 1    3    1   47 o  188.064   2.8094  5400.58  161.267  5286.48  207.619  5574.14  256.053  186.031   3.6565  190.986   4.3925 -4.954849 5.715226 
1 1 1    3    1   48 o   47.125   3.8741  341.570   55.230  318.628  190.807  343.668   57.700   44.982   13.100   47.255   4.0393 -2.272644 13.70900 
1 1 1    3    1   49 o  181.264   2.6689  5016.88  147.662  4910.96  225.817  5096.00  195.170  179.276   4.1268  182.654   3.5008 -3.377945 5.411696 
1 1 1    3    1   50 o  146.768   3.1483  3289.79  141.036  3332.03  174.181  3209.36  240.333  147.680   3.8642  144.858   5.4357 2.821869 6.669235 
1 1 1    3    1   51 o  544.064   9.8305 45504.68  1632.46 44690.89  1795.67 49380.82  3918.97  538.719   10.921  557.743   23.021 -19.02435 25.47978 
1 1 1    3    1   52 o  206.382   3.1692  6505.44  199.634  5932.39  295.032  6989.39  271.130  196.973   4.9073  213.860   4.1537 -16.88672 6.429221 
1 1 1    3    1   53 o  369.125   4.4640 20828.67  502.944 20610.80  787.163 20978.97  653.799  366.736   7.0323  370.245   5.7855 -3.508698 9.106277 
1 1 1    3    1   54 o  191.232   2.7931  5584.86  163.027  5357.39  251.280  5750.20  214.236  187.200   4.3978  193.996   3.6181 -6.796127 5.694873 
1 1 1    3    1   55 f   31.482   4.0834  154.033   38.313  204.385   61.603  122.271   48.927   36.089   5.7882   27.730   5.9583 8.359320 8.306894 
1 1 1    3    1   56 o  377.550   5.0167 21812.24  578.112 20879.99  693.162 23942.48  1047.81  369.145   6.1521  394.498   8.7021 -25.35272 10.65710 
1 1 1    3    1   57 o  197.165   3.8353  5942.92  230.805  5573.82  540.723  6025.16  255.224  190.141   9.3171  198.490   4.2128 -8.348770 10.22528 
1 1 1    3    1   58 o   66.207   2.7325  669.611   55.218  692.890  129.173  664.406   61.080   66.900   6.4043   65.942   3.0347 0.9581451 7.086911 
1 1 1    3    1   59 o  188.750   3.1730  5445.15  182.801  5159.41  212.385  6261.88  359.065  183.673   3.7885  202.055   5.8222 -18.38234 6.946245 
1 1 1    3    1   60 o  200.456   3.3057  6143.70  202.258  5990.86  230.337  6658.44  422.699  197.886   3.8136  208.096   6.6550 -10.21036 7.670250 
1 1 1    3    1   61 o   54.701   5.0230  462.728   82.927  139.281  496.366  472.016   84.110   48.326   20.179   55.249   5.0433 -6.922878 20.79959 
1 1 1    3    1   62 o  190.587   4.4718  5568.64  260.129  5216.57  386.164  5861.11  351.965  183.893   6.8800  195.197   5.9076 -11.30389 9.068275 
1 1 1    3    1   63 o   39.201   3.5146  237.143   41.605  247.336   53.930  222.159   65.388   39.903   4.5071   37.543   5.9009 2.359562 7.425278 
1 1 1    3    1   64 o   79.963   3.2724  978.868   79.869  955.598  113.561  1001.65  112.353   78.731   4.7479   80.640   4.5837 -1.908279 6.599434 
1 1 1    3    2    0 o  288.961   18.630 12927.62  1627.48 12927.62  1627.48 12927.62  1627.48  288.961   18.630  288.961   18.630 0.000000 0.000000 
1 1 1    3    2    1 o   83.438   3.5963  1062.63   91.589  1197.97  243.030  1040.22   98.879   88.078   9.1748   82.552   3.9243 5.525833 9.978816 
1 1 1    3    2    2 o  293.583   6.2426 13160.06  559.385 12984.81  637.068 13750.06  1168.93  291.599   7.1578  299.862   12.772 -8.262268 14.64074 
1 1 1    3    2    3 o  396.598   6.8618 24018.40  830.620 24514.68  2153.58 23931.67  900.277  400.012   17.639  395.860   7.4511 4.151611 19.14809 
1 1 1    3    2    4 o  630.629   6.5534 60726.18  1261.42   0.0000   0.0000 60726.18  1261.42  ?   ?   630.629   6.5534 0.000000 6.553443 
1 1 1    3    2    5 o  174.583   3.7063  4652.36  197.496  5003.99  478.764  4580.26  216.801  180.986   8.6668  173.222   4.1006 7.764648 9.587898 
1 1 1    3    2    6 o  264.681   4.3716 10694.16  353.168 10600.89  575.321 10750.56  447.381  263.465   7.1543  265.356   5.5237 -1.891541 9.038592 
1 1 1    3    2    7 o  357.210   4.3774 19478.59  477.263 19418.94  675.049 19538.22  674.855  356.612   6.2019  357.706   6.1811 -1.094208 8.756103 
1 1 1    3    2    8 o  204.253   3.4896  6368.07  217.548  6579.31  270.702  5982.84  365.562  207.603   4.2721  197.939   6.0508 9.663391 7.406950 
1 1 1    3    2    9 o  598.232   8.9359 54693.80  1631.65 56417.62  2432.41 53283.61  2200.04  607.091   13.127  590.108   12.215 16.98267 17.93088 
1 1 1    3    2   10 o  171.861   3.5338  4508.73  185.370  4749.10  311.913  4377.47  230.491  176.346   5.7950  169.329   4.4597 7.016998 7.312355 
1 1 1    3    2   11 o  485.685   7.2785 36042.46  1078.97 34710.56  1383.23 38112.28  1724.34  476.425   9.5122  499.014   11.321 -22.58844 14.78694 
1 1 1    3    2   12 o  281.020   5.6707 12061.79  486.393 12152.85  687.595 11970.59  688.134  281.967   7.9895  279.841   8.0565 2.126190 11.34629 
1 1 1    3    2   13 o  129.995   3.8979  2579.99  154.660  2994.96  329.253  2462.50  175.190  139.761   7.7487  126.992   4.5198 12.76955 8.970556 
1 1 1    3    2   14 o  226.587   4.3966  7839.49  304.067  7965.05  448.185  7732.40  413.891  228.325   6.4311  224.981   6.0273 3.343613 8.814069 
1 1 1    3    2   15 o  324.600   4.4474 16088.49  440.629 16561.35  655.381 15698.44  595.239  329.234   6.5219  320.566   6.0835 8.667999 8.918755 
1 1 1    3    2   16 o  160.608   3.5259  3937.78  172.844  3931.48  235.680  3945.12  254.251  160.458   4.8122  160.729   5.1826 -0.2708740 7.072291 
1 1 1    3    2   17 o  303.685   13.502 14129.94  1251.51 14051.18  1770.04 14208.68  1769.76  301.615   19.329  303.328   19.215 -1.713287 27.25447 
1 1 1    3    2   18 o  793.178   14.277 96378.69  3456.48 96343.20  3635.28 96712.96 11158.58  792.871   15.022  778.780   47.166 14.09137 49.50042 
1 1 1    3    2   19 o  228.820   3.4166  7992.00  238.622  7923.26  282.529  8163.05  445.682  227.825   4.0630  231.203   6.3156 -3.378510 7.509627 
1 1 1    3    2   20 o  366.568   4.1181 20511.65  460.753 20428.06  663.019 20589.72  640.757  365.773   5.9388  367.224   5.7167 -1.451233 8.243158 
1 1 1    3    2   21 o  119.939   1.7793  2195.46   65.136  2266.97   99.798  2142.39   85.973  121.873   2.6829  118.478   2.3774 3.394897 3.584669 
1 1 1    3    2   22 o  970.365   12.151 143965.59  3598.91 144975.70  4977.06 142858.50  5210.20  972.954   16.760  965.633   17.678 7.320923 24.35950 
1 1 1    3    2   23 o  307.934   4.6917 14474.97  440.963 15685.73  944.558 14137.55  498.635  320.415   9.6583  304.311   5.3684 16.10388 11.04999 
1 1 1    3    2   24 o  673.445   11.249 69320.27  2312.28 69494.02  3145.78 69116.05  3410.35  673.849   15.295  671.841   16.631 2.008911 22.59473 
1 1 1    3    2   25 o  563.635   6.7166 48509.45  1155.49 49188.83  1318.88 46265.75  2396.80  567.523   7.6138  549.905   14.280 17.61829 16.18293 
1 1 1    3    2   26 o  161.065   2.6971  3959.40  132.590  3889.78  187.218  4029.45  187.806  159.635   3.8424  162.476   3.7871 -2.841064 5.394989 
1 1 1    3    2   27 o  366.048   5.7487 20457.55  642.280 20949.21  1045.71 20159.72  813.890  370.291   9.2524  363.323   7.3393 6.967834 11.80981 
1 1 1    3    2   28 o  924.568   12.666 130744.00  3574.31 131172.50  5875.77 130492.30  4503.37  924.350   20.826  923.076   15.984 1.274414 26.25295 
1 1 1    3    2   29 o  861.414   12.307 113487.20  3235.86 113635.50  4148.50 113256.80  5171.01  861.380   15.779  859.092   19.721 2.288818 25.25621 
1 1 1    3    2   30 o  1005.46   14.184 154739.30  4352.90 156857.70  5415.65 150872.80  7316.42  1011.52   17.541  990.016   24.212 21.50757 29.89875 
1 1 1    3    2   31 f  219.031   3.6248  7322.96  242.328  7287.86  389.143  7345.20  309.707  218.471   5.8358  219.350   4.6259 -0.8790131 7.446839 
1 1 1    3    2   32 o  555.337   6.1667 47094.11  1045.26 46612.13  1478.12 47576.22  1478.32  552.315   8.7681  558.004   8.6799 -5.689514 12.33774 
1 1 1    3    2   33 o  453.276   5.4804 31371.84  758.212 30871.21  1187.66 31716.26  985.080  449.470   8.6571  455.678   7.0827 -6.208374 11.18525 
1 1 1    3    2   34 o  322.799   4.7890 15909.01  471.841 15832.01  621.433 16013.83  725.057  321.964   6.3237  323.764   7.3371 -1.800354 9.686187 
1 1 1    3    2   35 o  589.761   5.9900 53122.94  1078.25 53391.49  1615.93 52907.41  1447.65  590.962   8.9587  588.375   8.0611 2.586426 12.05154 
1 1 1    3    2   36 o  482.127   5.3277 35500.24  784.006 35444.32  1090.28 35560.11  1128.19  481.579   7.4175  482.342   7.6632 -0.7627258 10.66506 
1 1 1    3    2   37 o  496.391   5.9958 37646.29  908.420 38055.93  1157.14 36988.27  1466.56  498.914   7.5987  491.576   9.7745 7.338104 12.38067 
1 1 1    3    2   38 o  254.063   4.2395  9857.30  328.755 10142.69  408.330  9331.42  554.289  257.672   5.1919  247.028   7.3514 10.64336 8.999983 
1 1 1    3    2   39 o  117.164   2.2591  2095.42   80.788  2079.42  104.747  2118.91  126.922  116.707   2.9405  117.801   3.5300 -1.093430 4.594289 
1 1 1    3    2   40 o  279.101   4.6254 11900.15  394.032 11889.19  498.372 11918.43  643.544  278.887   5.8548  279.079   7.5550 -0.1915588 9.558037 
1 1 1    3    2   41 o  144.515   2.6553  3188.38  117.125  3257.25  170.327  3126.60  161.319  146.039   3.8212  143.084   3.6938 2.955338 5.314684 
1 1 1    3    2   42 o  296.113   4.5628 13396.62  412.389 13704.79  714.755 13242.85  504.903  299.168   7.8275  294.322   5.6204 4.846893 9.636351 
1 1 1    3    2   43 o   71.724   2.4483  785.349   53.598  800.186   80.133  773.337   72.100   72.291   3.6434   71.163   3.3194 1.128387 4.928800 
1 1 1    3    2   44 o  535.476   8.0854 43935.48  1321.47 43673.07  2050.57 44121.86  1728.19  532.340   12.620  535.848   10.567 -3.508545 16.45971 
1 1 1    3    2   45 o  230.035   4.6436  8086.92  326.033  7830.58  480.010  8306.46  444.227  226.162   6.9536  233.004   6.2463 -6.841507 9.347178 
1 1 1    3    2   46 o  286.336   4.7104 12531.26  411.673 12386.51  1633.76 12541.08  425.400  280.789   19.178  286.433   4.8658 -5.644806 19.78538 
1 1 1    3    2   47 o  237.441   2.9726  8609.28  215.433  8266.54  310.095  8929.04  299.518  232.582   4.3682  241.745   4.0593 -9.162338 5.963116 
1 1 1    3    2   48 o  107.605   2.4932  1767.87   81.887  1709.49  115.649  1826.57  115.963  105.789   3.5817  109.354   3.4743 -3.565613 4.989898 
1 1 1    3    2   49 o  248.495   4.7301  9439.06  358.762  9421.10  372.155  9675.29  1349.45  248.243   4.9117  248.305   17.926 -0.6236267E-01 18.58678 
1 1 1    3    2   50 o   39.475   3.5755  239.990   42.613  272.678   52.873  179.408   71.981   42.036   4.1762   33.582   7.2360 8.454403 8.354660 
1 1 1    3    2   51 o  267.640   3.4967 10941.92  285.646 10787.86  377.053 11149.43  437.607  265.654   4.6502  270.001   5.3101 -4.347595 7.058398 
1 1 1    3    2   52 o   30.850   3.4916  147.246   32.299  150.514   48.305  144.603   43.437   30.937   5.3067   30.378   4.8477 0.5586586 7.187570 
1 1 1    3    2   53 o   83.764   3.5650  1071.95   91.146  1045.63  116.532  1113.42  146.282   82.569   4.6428   85.113   5.6633 -2.544022 7.323097 
1 1 1    3    2   54 o   95.823   2.0737  1401.83   60.651  1367.86   87.271  1433.56   84.350   94.634   3.0214   96.884   2.8524 -2.250114 4.155124 
1 1 1    3    2   55 o   69.092   2.5499  728.987   53.774  822.466   75.796  634.253   76.302   73.370   3.3846   64.301   3.9063 9.069618 5.168633 
1 1 1    3    2   56 o  117.950   2.5816  2124.70   92.942  2161.51  132.789  2089.34  130.131  118.925   3.6582  116.923   3.6464 2.001862 5.165163 
1 1 1    3    2   57 o  178.195   2.9342  4850.92  159.589  5172.69  232.539  4564.43  219.419  183.917   4.1424  172.764   4.1611 11.15305 5.871486 
1 1 1    3    2   58 o  133.958   2.8715  2741.58  117.406  2517.85  222.736  2827.66  138.158  128.170   5.6936  136.020   3.3278 -7.849030 6.594786 
1 1 1    3    2   59 o  111.308   2.4384  1892.46   82.841  1815.42  103.530  2029.57  138.118  108.988   3.1122  115.187   3.9285 -6.199547 5.011897 
1 1 1    3    2   60 o   59.143   4.2529  538.220   76.260  531.524   85.017  565.787  172.514   58.707   4.7863   59.650   9.8169 -0.9431839 10.92154 
1 1 1    3    2   61 o   34.939   3.9744  189.282   41.629  200.742   55.440  174.467   63.033   35.800   5.2278   33.114   6.4684 2.685974 8.316877 
1 1 1    3    2   62 o  131.621   3.0800  2649.66  123.735  2238.32  235.995  2805.60  145.310  120.362   6.4473  135.394   3.5162 -15.03248 7.343832 
1 1 1    3    2   63 o   70.599   10.955  801.207  228.405  813.386  389.387  794.818  282.018   68.801   18.245   69.370   13.805 -0.5686417 22.87922 
1 1 1    3    2   64 o  143.275   14.027  3340.10  605.550   0.0000   0.0000  3340.10  605.550  ?   ?   143.275   14.027 0.000000 14.02716 
1 1 1    3    3    0 o  528.453   13.766 42758.54  2217.03 42758.54  2217.03 42758.54  2217.03  528.453   13.766  528.453   13.766 -0.000000 0.000000 
1 1 1    3    3    1 o  259.318   4.3453 10265.05  343.932 10496.53  595.821 10149.38  421.188  262.162   7.4461  257.836   5.3520 4.326050 9.169954 
1 1 1    3    3    2 o  362.555   9.4808 20084.29  1049.15   0.0000   0.0000 20084.29  1049.15  ?   ?   362.555   9.4808 0.000000 9.480787 
1 1 1    3    3    3 o  464.556   15.836 33048.01  2245.49 35083.73  3888.44 32029.46  2750.47  476.397   26.851  456.912   19.722 19.48422 33.31597 
1 1 1    3    3    4 o  514.626   7.7226 40451.25  1213.04 41081.04  1804.79 39932.31  1638.27  518.363   11.407  511.135   10.501 7.228210 15.50464 
1 1 1    3    3    5 o  192.332   3.5543  5646.35  208.654  5620.14  255.731  5698.55  360.883  191.876   4.3666  193.184   6.1204 -1.308182 7.518414 
1 1 1    3    3    6 o  405.937   5.6230 25160.20  696.700 25577.91  985.358 24742.62  985.207  409.197   7.8894  402.453   8.0204 6.743439 11.25030 
1 1 1    3    3    7 f  130.747   2.8205  2609.20  112.556  2524.54  146.880  2729.66  175.193  128.602   3.7420  133.719   4.2925 -5.117569 5.694513 
1 1 1    3    3    8 o  244.335   5.7474  9116.27  428.623  8772.59  528.246  9778.62  733.339  239.644   7.2219  252.925   9.4994 -13.28114 11.93294 
1 1 1    3    3    9 o  581.830   8.6367 51741.20  1533.78 53414.60  2450.83 50663.87  1966.47  590.505   13.598  575.445   11.196 15.05939 17.61407 
1 1 1    3    3   10 o  675.301   8.8661 69717.94  1827.46 68313.92  2584.39 71122.02  2584.46  667.854   12.678  681.491   12.425 -13.63641 17.75149 
1 1 1    3    3   11 o  122.073   3.0212  2274.68  112.567  2432.78  164.708  2136.12  154.199  126.229   4.2750  118.283   4.2711 7.946434 6.043031 
1 1 1    3    3   12 o  396.667   6.2796 24037.84  760.280 25561.14  1075.33 22515.27  1075.07  408.853   8.6170  383.670   9.1804 25.18314 12.59098 
1 1 1    3    3   13 o   84.299   2.2576  1084.65   58.087  1192.90  146.953  1064.60   63.237   88.205   5.4856   83.515   2.4808 4.689819 6.020527 
1 1 1    3    3   14 o  105.533   1.9493  1699.84   62.789  1921.56   99.052  1550.90   81.183  112.198   2.8924  100.799   2.6387 11.39861 3.915221 
1 1 1    3    3   15 o  640.695   8.1022 62750.49  1584.43 67116.94  2859.35 60815.69  1903.36  661.473   14.162  630.481   9.8908 30.99200 17.27436 
1 1 1    3    3   16 o  547.407   9.6240 45826.98  1607.98 46894.11  2274.06 44759.91  2274.00  553.187   13.468  540.399   13.787 12.78772 19.27350 
1 1 1    3    3   17 o  213.837   5.6170  6982.70  366.611  7308.59  680.979  6849.69  435.034  218.612   10.206  211.761   6.7307 6.850952 12.22530 
1 1 1    3    3   18 o  403.486   6.3329 24862.37  779.912 24784.10  806.947 25972.17  3038.51  402.841   6.5629  409.746   24.406 -6.906036 25.27327 
1 1 1    3    3   19 o  369.715   5.6938 20870.34  642.515 21287.74  799.282 20107.97  1080.20  373.347   7.0141  362.730   9.7567 10.61688 12.01628 
1 1 1    3    3   20 o  463.951   5.9836 32865.72  847.322 34123.03  1171.93 31488.55  1226.52  472.645   8.1236  453.995   8.8513 18.64993 12.01410 
1 1 1    3    3   21 o  631.724   8.9305 60965.55  1721.95 66564.43  4237.59 59858.21  1884.55  658.560   21.082  625.890   9.8649 32.66998 23.27565 
1 1 1    3    3   22 o  216.678   3.6241  7166.16  239.679  7142.49  383.439  7181.34  307.060  216.292   5.8082  216.896   4.6383 -0.6038818 7.432906 
1 1 1    3    3   23 f  325.598   5.7321 16185.42  569.651 17284.82  1048.74 15725.30  678.465  336.329   10.216  320.907   6.9268 15.42151 12.34298 
1 1 1    3    3   24 o  540.976   7.2512 44691.34  1197.30 44755.88  1651.96 44619.92  1737.79  541.210   10.000  540.351   10.537 0.8590698 14.52684 
1 1 1    3    3   25 f  900.057   10.505 123802.80  2885.79 122940.10  3750.21 125055.10  4518.62  896.479   13.706  903.701   16.382 -7.221497 21.35908 
1 1 1    3    3   26 o  492.812   7.4427 37090.55  1119.51 36402.93  1881.51 37467.41  1392.92  487.892   12.635  495.215   9.2154 -7.322418 15.63841 
1 1 1    3    3   27 o  211.632   3.2772  6836.18  211.688  6926.78  405.778  6802.30  248.129  212.990   6.2419  211.101   3.8510 1.888214 7.334208 
1 1 1    3    3   28 o  395.776   6.2946 23917.98  760.385 24057.66  893.140 23550.07  1449.51  396.889   7.3728  392.428   12.102 4.460846 14.17071 
1 1 1    3    3   29 o  553.289   9.5180 46779.77  1607.37 46170.87  2369.78 47298.60  2187.48  549.244   14.136  556.046   12.889 -6.802124 19.12979 
1 1 1    3    3   30 o  205.716   3.4442  6459.53  216.260  6460.50  268.635  6457.74  364.549  205.722   4.2782  205.654   5.8077 0.6767273E-01 7.213347 
1 1 1    3    3   31 f  741.728   10.254 84098.15  2321.36 85894.84  2924.93 81040.58  3815.64  749.270   12.790  727.045   17.194 22.22443 21.42955 
1 1 1    3    3   32 o  1144.18   14.486 200482.20  5058.96 198281.70  6143.87 205116.00  8915.46  1136.91   17.705  1153.24   25.328 -16.32507 30.90304 
1 1 1    3    3   33 o  535.966   6.3594 43870.79  1040.32 43642.17  1629.42 44028.11  1351.68  534.283   9.9918  536.793   8.2499 -2.509888 12.95753 
1 1 1    3    3   34 o  378.590   4.1562 21881.40  480.267 21770.58  782.759 21948.30  608.202  377.522   6.7931  379.129   5.2559 -1.607758 8.588977 
1 1 1    3    3   35 o  195.201   2.6934  5816.02  160.474  6124.26  246.084  5587.95  211.672  200.287   4.0254  191.323   3.6248 8.963821 5.416924 
1 1 1    3    3   36 o  279.378   3.9420 11916.74  336.147 11949.59  454.507 11877.08  499.429  279.714   5.3236  278.841   5.8681 0.8732910 7.923150 
1 1 1    3    3   37 o  335.491   6.2017 17198.74  635.052 17519.34  828.657 16742.48  988.547  338.460   8.0214  330.699   9.7937 7.760406 12.65938 
1 1 1    3    3   38 o  184.139   2.9961  5176.44  168.390  5294.98  233.572  5048.15  242.986  186.207   4.1097  181.807   4.3788 4.399857 6.005252 
1 1 1    3    3   39 o  467.915   7.1151 33488.08  1016.16 34077.61  1264.52 32413.35  1707.34  471.740   8.7822  459.358   12.177 12.38217 15.01383 
1 1 1    3    3   40 o  647.975   13.036 64606.94  2578.14 64558.52  5386.02 64621.33  2936.39  638.652   27.630  647.251   14.864 -8.599060 31.37456 
1 1 1    3    3   41 o  174.491   3.1937  4649.03  170.090  4753.19  522.992  4636.71  179.868  175.774   9.7870  174.254   3.3819 1.520172 10.35482 
1 1 1    3    3   42 o  285.938   5.5119 12498.66  481.046 12601.46  681.390 12396.52  679.219  286.871   7.7820  284.524   7.8212 2.347198 11.03319 
1 1 1    3    3   43 o  292.322   4.5834 13057.18  408.949 12919.02  500.974 13333.11  707.997  290.678   5.6466  295.039   7.8620 -4.361237 9.679631 
1 1 1    3    3   44 o  229.348   3.7067  8034.38  259.477  8172.67  332.040  7817.46  415.860  231.253   4.7042  226.072   6.0268 5.181686 7.645345 
1 1 1    3    3   45 o  263.242   3.5127 10584.03  282.236 10611.51  447.130 10565.83  363.890  263.422   5.5611  262.944   4.5341 0.4777527 7.175252 
1 1 1    3    3   46 o  104.746   3.0373  1675.49   97.107  1619.86  163.221  1705.97  120.814  102.798   5.2192  105.677   3.7456 -2.879875 6.424119 
1 1 1    3    3   47 o  507.273   6.1813 39377.17  957.060 38835.99  1235.00 40190.77  1514.27  503.305   8.0393  511.478   9.6997 -8.172516 12.59822 
1 1 1    3    3   48 o  182.564   2.9787  5089.72  165.982  4585.47  227.809  5660.30  242.331  173.224   4.3087  192.468   4.1251 -19.24467 5.964999 
1 1 1    3    3   49 o  320.419   6.3098 15713.94  617.095 15713.94  617.095   0.0000   0.0000  320.419   6.3098  ?   ?  0.000000 6.309811 
1 1 1    3    3   50 o  346.901   8.2417 18458.22  872.646 18618.35  945.744 17540.85  2263.69  348.258   8.8972  332.171   22.459 16.08734 24.15748 
1 1 1    3    3   51 o  229.030   2.6805  8009.65  187.379  8106.61  286.219  7936.92  247.885  230.329   4.0713  227.940   3.5630 2.389343 5.410192 
1 1 1    3    3   52 o  114.228   2.1367  1992.03   74.497  1962.70  105.321  2021.40  105.387  113.363   3.0439  115.047   3.0012 -1.683846 4.274629 
1 1 1    3    3   53 o  196.477   4.1061  5899.79  246.238  5653.35  359.163  6118.37  338.244  192.159   6.1237  199.964   5.5419 -7.805130 8.259096 
1 1 1    3    3   54 o   70.822   2.3800  765.862   51.448  777.597   68.855  751.029   77.411   71.348   3.1618   70.014   3.6349 1.333900 4.817627 
1 1 1    3    3   55 o  381.135   5.0775 22226.26  590.672 22396.69  800.646 22022.72  874.964  382.187   6.8635  378.791   7.5679 3.396118 10.21670 
1 1 1    3    3   56 o   68.001   4.3730  710.089   90.283  716.280   94.862  650.573  294.112   68.278   4.5785   63.247   15.383 5.031406 16.05019 
1 1 1    3    3   57 o   35.903   6.3902  203.567   67.461  211.689   77.313  177.650  138.102   36.503   7.1949   34.543   11.337 1.960110 13.42741 
1 1 1    3    3   58 o  179.464   3.9577  4925.68  216.787  5039.37  306.403  4811.73  306.764  181.340   5.5358  177.178   5.6725 4.161407 7.926116 
1 1 1    3    3   59 o  161.253   3.4232  3975.47  168.482  3924.54  199.479  4102.22  314.696  160.156   4.0807  163.452   6.3079 -3.295120 7.512778 
1 1 1    3    3   60 o  185.034   3.4682  5236.17  195.871  5191.14  230.765  5352.21  370.453  184.158   4.1055  186.574   6.5052 -2.416260 7.692405 
1 1 1    3    3   61 o  112.977   2.6117  1950.64   90.061  2005.85  125.631  1892.27  129.174  114.493   3.5950  111.187   3.8063 3.306595 5.235672 
1 1 1    3    3   62 o  173.726   2.8520  4614.82  151.227  4725.28  219.656  4515.28  208.512  175.613   4.0980  171.686   3.9790 3.927246 5.711923 
1 1 1    3    3   63 o  110.650   3.5331  1874.76  119.323  1933.05  173.041  1821.91  164.760  112.161   5.0546  108.903   4.9567 3.257935 7.079420 
1 1 1    3    3   64 o   62.631   3.8583  603.571   73.398  592.187  109.944  612.724   98.584   61.696   5.9108   62.902   5.1809 -1.206406 7.859994 
1 1 1    3    4    0 o  931.106   56.020 136723.91 15788.72 136723.91 15788.72 136723.91 15788.72  931.106   56.020  931.106   56.020 0.000000 0.000000 
1 1 1    3    4    1 o  1003.90   42.318 157850.59 12966.89 168848.50 18337.68 146852.00 18338.23  1024.65   58.882  951.419   63.514 73.22876 86.60914 
1 1 1    3    4    2 o  267.759   11.998 10965.01  980.536   0.0000   0.0000 10965.01  980.536  ?   ?   267.759   11.998 0.000000 11.99784 
1 1 1    3    4    3 f  513.524   14.815 40380.22  2322.07   0.0000   0.0000 40380.22  2322.07  ?   ?   513.524   14.815 0.000000 14.81488 
1 1 1    3    4    4 o  165.006   6.4172  4157.92  323.194  4642.98  562.104  3918.37  395.020  173.941   10.639  159.945   8.1181 13.99580 13.38233 
1 1 1    3    4    5 o  349.574   9.4604 18677.59  1009.40 17934.54  1110.79 22199.74  2418.38  342.482   10.626  379.427   20.964 -36.94519 23.50299 
1 1 1    3    4    6 o  174.248   4.0902  4635.02  217.532  4511.62  294.749  4782.63  322.379  171.890   5.6180  176.971   5.9683 -5.081055 8.196503 
1 1 1    3    4    7 o  245.702   4.2405  9216.35  318.012  9167.95  389.694  9312.83  550.221  245.034   5.2105  246.899   7.3013 -1.864944 8.969858 
1 1 1    3    4    8 o  564.032   9.0566 48635.51  1559.15 48470.21  1975.81 48908.34  2538.34  562.771   11.503  564.802   14.724 -2.030457 18.68466 
1 1 1    3    4    9 o  390.349   8.0831 23289.25  963.054 22922.45  1188.50 23990.60  1643.43  387.101   10.059  395.630   13.610 -8.529266 16.92352 
1 1 1    3    4   10 o  128.780   3.2629  2531.65  128.256  2730.74  188.652  2360.55  174.891  133.730   4.6218  124.336   4.6084 9.394203 6.526808 
1 1 1    3    4   11 o  382.478   6.8967 22354.10  805.126 22822.38  967.679 21300.72  1451.33  386.361   8.2058  372.781   12.755 13.57999 15.16697 
1 1 1    3    4   12 o  121.478   2.8257  2252.56  104.772  2358.31  147.724  2145.54  148.621  124.284   3.8942  118.542   4.1076 5.741821 5.660156 
1 1 1    3    4   13 o  214.969   2.8932  7054.05  189.833  7026.00  297.541  7073.30  246.526  214.505   4.5446  215.245   3.7524 -0.7401581 5.893534 
1 1 1    3    4   14 o  433.254   7.9668 28693.50  1053.53 30354.75  1993.94 28050.12  1240.88  444.747   14.689  428.222   9.4939 16.52536 17.48972 
1 1 1    3    4   15 o  434.940   7.2697 28905.37  965.072 27209.32  3277.68 29066.37  1009.84  418.261   25.800  436.125   7.5862 -17.86472 26.89263 
1 1 1    3    4   16 o  407.414   6.3664 25352.60  791.680 25757.00  1290.13 25108.35  1002.66  410.373   10.300  405.342   8.1043 5.031403 13.10609 
1 1 1    3    4   17 o  414.726   9.1473 26287.75  1157.90 27144.18  2280.24 25990.18  1344.09  420.566   17.764  412.261   10.682 8.304413 20.72779 
1 1 1    3    4   18 o  462.401   6.4812 32651.90  914.727 32241.30  1035.56 34109.80  1951.32  459.440   7.3846  472.094   13.542 -12.65369 15.42463 
1 1 1    3    4   19 o  643.486   8.8628 63261.81  1740.71 69647.80  2782.02 59153.13  2231.50  674.694   13.509  621.980   11.755 52.71417 17.90734 
1 1 1    3    4   20 o  300.117   4.1099 13748.80  376.481 13617.28  532.322 13880.42  532.529  298.645   5.8399  301.517   5.7865 -2.872986 8.221141 
1 1 1    3    4   21 o  154.339   2.9544  3635.69  139.176  3642.08  172.793  3623.89  234.831  154.470   3.6649  154.073   4.9936 0.3973694 6.194159 
1 1 1    3    4   22 o  450.162   5.9886 30939.60  822.834 31577.12  1163.70 30302.17  1163.62  454.680   8.3853  445.399   8.5595 9.281616 11.98239 
1 1 1    3    4   23 f  567.463   7.1742 49173.95  1242.59 50990.80  1757.20 47356.75  1757.38  577.682   9.9659  556.690   10.343 20.99176 14.36283 
1 1 1    3    4   24 f  529.537   7.7673 42825.82  1255.41 42412.04  1872.08 43163.95  1692.32  526.726   11.645  531.463   10.433 -4.736877 15.63440 
1 1 1    3    4   25 o  397.252   6.0474 24094.80  733.252 23571.08  911.942 25052.64  1233.28  392.857   7.6053  404.907   9.9790 -12.04990 12.54678 
1 1 1    3    4   26 o  731.445   10.751 81774.25  2400.26 81674.78  4033.53 81828.79  2986.63  729.974   18.103  731.381   13.379 -1.407471 22.51067 
1 1 1    3    4   27 o  697.950   8.1925 74410.86  1745.25 74115.99  2817.34 74594.48  2223.19  696.047   13.261  698.612   10.426 -2.564697 16.86903 
1 1 1    3    4   28 o  276.892   4.3960 11703.82  371.523 12312.06  1103.42 11626.04  394.561  283.708   12.742  275.966   4.6843 7.742432 13.57611 
1 1 1    3    4   29 o  523.898   5.8671 41908.25  938.183 41035.73  1624.89 42344.58  1149.07  518.144   10.274  526.553   7.1497 -8.408936 12.51722 
1 1 1    3    4   30 o  1093.65   14.031 183082.70  4683.66 184226.00  8254.92 182540.00  5687.79  1093.62   24.730  1091.25   17.077 2.378296 30.05320 
1 1 1    3    4   31 o  839.242   10.881 107691.40  2787.17 107403.90  3846.48 108009.30  4044.27  837.401   15.049  839.607   15.781 -2.206116 21.80671 
1 1 1    3    4   32 o  420.294   4.7720 26968.83  612.163 26661.43  865.784 27276.15  865.675  417.809   6.7891  422.602   6.7113 -4.792999 9.546415 
1 1 1    3    4   33 o  322.692   3.9122 15895.99  385.328 15734.46  510.151 16110.56  587.970  321.013   5.2067  324.802   5.9309 -3.789520 7.892060 
1 1 1    3    4   34 o  660.653   7.0884 66679.65  1429.36 66517.87  2021.57 66841.38  2021.27  659.500   10.043  661.106   10.017 -1.605408 14.18443 
1 1 1    3    4   35 o  184.719   3.4692  5208.81  195.598  5288.54  249.247  5080.99  315.578  186.111   4.3878  182.393   5.6687 3.717453 7.168416 
1 1 1    3    4   36 o  609.785   10.642 56935.95  1980.71 56719.07  2073.16 59206.41  6707.64  608.521   11.162  610.266   36.172 -1.744873 37.85518 
1 1 1    3    4   37 o  323.445   6.0403 15986.09  596.320 15913.63  623.616 16759.84  2037.86  322.691   6.3316  328.397   20.432 -5.706055 21.39075 
1 1 1    3    4   38 o  157.211   3.0728  3773.29  147.447  3740.18  178.297  3844.92  262.252  156.505   3.7325  158.632   5.4164 -2.126541 6.577904 
1 1 1    3    4   39 o  274.056   4.2699 11471.73  357.170 11430.12  456.878 11537.13  572.778  273.485   5.4733  274.656   6.8325 -1.171692 8.754436 
1 1 1    3    4   40 o   69.732   2.1600  742.256   45.972  757.728   72.956  732.067   59.206   70.443   3.3932   69.246   2.8012 1.196709 4.400054 
1 1 1    3    4   41 o  181.512   2.9310  5030.35  162.384  4974.55  239.989  5077.48  220.534  180.453   4.3572  182.326   3.9629 -1.873215 5.889811 
1 1 1    3    4   42 o  208.639   3.1292  6646.92  199.275  6948.75  287.993  6369.67  276.022  213.264   4.4243  204.184   4.4290 9.079849 6.260235 
1 1 1    3    4   43 o   67.927   2.2481  704.376   46.610  720.709   62.826  684.380   69.515   68.702   2.9961   66.855   3.4180 1.846718 4.545264 
1 1 1    3    4   44 o  405.484   5.9847 25149.35  740.682 25005.84  949.799 25372.06  1183.21  404.023   7.7021  406.563   9.5349 -2.539612 12.25713 
1 1 1    3    4   45 o  337.553   3.6512 17404.46  376.183 17321.63  575.181 17466.37  497.285  336.546   5.5994  338.041   4.8197 -1.495148 7.388024 
1 1 1    3    4   46 o  472.607   5.5663 34160.47  802.946 34261.05  1043.27 34014.31  1257.61  472.952   7.2270  470.848   8.7508 2.104187 11.34930 
1 1 1    3    4   47 o  392.047   5.8630 23514.25  701.574 23938.79  1121.14 23241.02  899.442  394.836   9.3031  389.445   7.5668 5.391174 11.99180 
1 1 1    3    4   48 o  155.676   2.8122  3700.65  133.622  3593.06  183.426  3822.31  195.050  153.354   3.9187  158.165   4.0403 -4.811111 5.628568 
1 1 1    3    4   49 o  242.296   6.2921  8985.52  465.332  8985.52  465.332   0.0000   0.0000  242.296   6.2921  ?   ?  0.000000 6.292149 
1 1 1    3    4   50 o   42.083   4.3167  273.490   54.662  341.379  104.664  248.028   64.098   46.597   7.6228   39.910   5.4007 6.687107 9.342076 
1 1 1    3    4   51 o   92.309   3.7189  1301.79  104.780  1169.46  158.407  1404.72  139.711   87.213   5.9871   95.855   4.7753 -8.642494 7.658211 
1 1 1    3    4   52 o  123.438   2.2895  2326.35   86.259  2251.00  136.556  2376.37  111.269  121.381   3.6859  124.742   2.9224 -3.360260 4.703876 
1 1 1    3    4   53 o  295.090   4.7273 13315.13  425.777 13753.36  715.131 13074.48  529.941  299.397   7.8257  292.246   5.9410 7.152039 9.825315 
1 1 1    3    4   54 o  156.893   3.0621  3759.90  146.636  3744.84  154.138  3903.38  475.806  156.570   3.2254  158.904   9.8589 -2.333328 10.37309 
1 1 1    3    4   55 o   80.694   3.7290  995.145   91.844  990.553  142.796  998.385  119.947   80.210   5.8735   80.636   4.8967 -0.4258881 7.646972 
1 1 1    3    4   56 o  196.421   3.6340  5896.71  217.866  6006.34  365.384  5836.24  271.387  197.979   6.0466  195.329   4.5520 2.649963 7.568532 
1 1 1    3    4   57 o  165.357   2.8595  4177.10  144.321  4353.84  259.695  4098.13  173.596  168.637   5.0454  163.747   3.4734 4.890549 6.125360 
1 1 1    3    4   58 o   64.844   3.1574  642.584   62.490  693.253   84.685  582.012   92.592   67.190   4.1497   61.449   4.9796 5.741791 6.482008 
1 1 1    3    4   59 o   42.466   8.6755  288.402  108.648  178.509  174.604  357.839  138.792   35.982   12.727   47.193   9.9489 -11.21091 16.15454 
1 1 1    3    4   60 o   73.363   3.7385  825.598   83.435  845.352   94.709  757.127  176.328   74.188   4.1997   69.482   8.4911 4.706795 9.472962 
1 1 1    3    4   61 o   17.420   6.2168   39.852   41.747 -25.5291   79.582   64.674   49.035   17.268   7.6422   20.821   6.7515 -3.552750 10.19731 
1 1 1    3    4   62 o  126.757   3.3205  2458.68  128.469  2489.60  145.242  2347.55  275.386  127.507   3.7320  123.001   7.3692 4.505974 8.260345 
1 1 1    3    4   63 o  181.238   3.4360  5029.22  190.071  5172.41  347.245  4967.97  227.116  183.126   6.2125  180.000   4.1339 3.125626 7.462208 
1 1 1    3    4   64 o  115.131   3.6324  2031.11  127.646  2094.42  186.107  1974.87  175.406  116.660   5.2267  113.309   5.0718 3.350777 7.282971 
1 1 1    3    5    0 o  512.375   31.116 40845.78  4825.02 40845.78  4825.02 40845.78  4825.02  512.375   31.116  512.375   31.116 0.000000 0.000000 
1 1 1    3    5    1 o  340.486   14.400 17758.36  1496.49 15666.41  2115.31 19854.44  2117.40  318.293   21.907  358.964   19.398 -40.67117 29.26065 
1 1 1    3    5    2 o  465.797   10.459 33178.56  1486.97 34661.35  2921.82 32660.29  1727.39  474.794   20.162  461.972   12.251 12.82227 23.59194 
1 1 1    3    5    3 o  379.093   9.3791 21968.87  1085.24 20578.27  1294.53 25257.16  1990.65  366.739   11.565  405.818   16.071 -39.07877 19.79965 
1 1 1    3    5    4 o  330.639   8.3234 16706.98  839.987 17354.43  2181.45 16594.27  910.168  335.013   21.446  329.480   9.0505 5.532043 23.27781 
1 1 1    3    5    5 o  425.980   8.3252 27733.11  1082.44 27450.30  1530.87 28015.86  1530.72  423.488   11.844  427.841   11.722 -4.353180 16.66345 
1 1 1    3    5    6 o  319.372   8.5013 15591.16  828.706 17239.45  1987.94 15244.48  911.701  334.119   19.579  315.741   9.4603 18.37851 21.74448 
1 1 1    3    5    7 o  390.767   6.2449 23325.28  744.835 23417.21  912.469 23141.69  1289.43  391.447   7.6371  388.862   10.864 2.585449 13.27963 
1 1 1    3    5    8 o  653.576   27.459 66440.02  5477.75   0.0000   0.0000 66440.02  5477.75  ?   ?   653.576   27.459 0.000000 27.45925 
1 1 1    3    5    9 o  127.120   7.7518  2479.24  299.332   0.0000   0.0000  2479.24  299.332  ?   ?   127.120   7.7518 0.000000 7.751809 
1 1 1    3    5   10 o  466.130   10.196 33254.14  1450.61 43300.16  4033.82 31762.01  1554.62  528.116   25.025  455.420   11.184 72.69592 27.41020 
1 1 1    3    5   11 o   67.299   3.6043  693.432   73.767  882.007  172.664  651.327   81.588   75.584   7.5867   65.183   4.1221 10.40099 8.634204 
1 1 1    3    5   12 o  440.812   7.5589 29700.84  1017.02 30646.94  1558.94 28999.83  1341.91  447.333   11.418  435.314   10.100 12.01950 15.24357 
1 1 1    3    5   13 o  198.800   3.9950  6033.82  242.408  5584.57  287.589  7136.25  450.508  191.236   4.9271  216.116   6.8297 -24.88033 8.421403 
1 1 1    3    5   14 o  391.275   16.563 23510.02  1978.02   0.0000   0.0000 23510.02  1978.02  ?   ?   391.275   16.563 0.000000 16.56275 
1 1 1    3    5   15 o  482.987   7.5818 35642.12  1117.70 34832.87  1820.53 36131.68  1415.98  476.996   12.504  486.128   9.5431 -9.131866 15.73001 
1 1 1    3    5   16 o  387.332   8.1469 22922.44  963.149 24613.74  1645.88 22041.63  1187.76  400.965   13.449  379.689   10.249 21.27603 16.90875 
1 1 1    3    5   17 o  377.090   5.7738 21712.09  664.541 21894.63  746.155 21011.91  1461.35  378.647   6.4562  370.574   12.920 8.073059 14.44329 
1 1 1    3    5   18 o  514.874   6.4168 40480.03  1008.41 39872.91  1394.74 41145.00  1459.69  510.859   8.9449  518.926   9.2159 -8.067169 12.84305 
1 1 1    3    5   19 o  616.954   7.5903 58133.14  1429.32 60303.54  1976.88 55755.74  2069.00  628.162   10.311  603.933   11.224 24.22943 15.24119 
1 1 1    3    5   20 o  786.641   11.293 94588.80  2711.40 92408.35  2985.01 104873.70  6482.97  777.370   12.581  825.524   25.729 -48.15350 28.64029 
1 1 1    3    5   21 o  354.337   5.9834 19169.53  647.119 19369.57  705.768 18113.77  1621.38  356.167   6.4922  344.013   15.442 12.15384 16.75086 
1 1 1    3    5   22 o  467.412   6.5476 33359.09  934.118 37114.31  1493.79 30947.69  1197.04  492.850   9.9302  450.110   8.7131 42.74030 13.21085 
1 1 1    3    5   23 o   86.657   2.6311  1146.11   69.592  1083.53   81.727  1311.16  132.725   84.256   3.1780   92.557   4.7137 -8.301590 5.684947 
1 1 1    3    5   24 o  565.511   6.7567 48834.09  1166.26 50132.08  1485.67 46749.83  1882.61  572.881   8.4965  553.034   11.153 19.84680 14.02071 
1 1 1    3    5   25 o  619.606   11.675 58694.50  2207.93 59103.95  2654.86 57776.06  3976.20  621.519   13.995  613.470   21.235 8.049683 25.43215 
1 1 1    3    5   26 o  806.355   8.6460 99330.38  2127.93 99940.63  3061.90 98760.29  2959.42  808.393   12.409  803.651   12.065 4.741943 17.30764 
1 1 1    3    5   27 o  471.414   6.6737 33936.24  960.260 34789.88  1579.65 33435.90  1209.37  477.060   10.849  467.836   8.4693 9.224243 13.76298 
1 1 1    3    5   28 o  797.289   13.359 97262.41  3250.81 95091.57  4794.11 99110.16  4422.97  787.086   19.956  803.972   18.024 -16.88605 26.89063 
1 1 1    3    5   29 o  495.387   7.5982 37484.71  1148.88 36880.62  2060.67 37757.18  1383.92  490.894   13.753  497.089   9.1214 -6.195038 16.50303 
1 1 1    3    5   30 o  628.539   8.3262 60356.24  1597.34 60681.89  2204.96 59996.61  2317.16  629.926   11.468  626.283   12.122 3.642334 16.68706 
1 1 1    3    5   31 o  439.493   6.5767 29498.73  882.227 29595.59  1370.68 29430.22  1152.74  439.992   10.206  438.871   8.6056 1.121552 13.35018 
1 1 1    3    5   32 o  331.117   3.7902 16736.40  383.053 16891.25  532.934 16570.90  550.954  332.606   5.2496  329.430   5.4794 3.176392 7.588313 
1 1 1    3    5   33 o  201.299   3.0312  6185.12  186.238  5876.94  323.444  6337.98  227.788  196.181   5.4016  203.762   3.6626 -7.581604 6.526283 
1 1 1    3    5   34 f   83.640   2.6564  1067.80   67.816  1115.60  115.276  1042.49   83.864   85.364   4.4396   82.640   3.3248 2.724548 5.546597 
1 1 1    3    5   35 o  251.507   4.9170  9659.82  377.460 10184.86  494.434  8926.36  584.391  258.199   6.2739  241.645   7.9234 16.55418 10.10650 
1 1 1    3    5   36 o  533.489   8.0807 43525.98  1315.81 43227.55  1585.82 44185.45  2357.39  531.399   9.7772  536.294   14.402 -4.895203 17.40694 
1 1 1    3    5   37 f  207.178   3.6481  6553.80  230.687  6558.61  237.662  6475.44  959.235  207.251   3.7570  204.495   15.483 2.755569 15.93236 
1 1 1    3    5   38 o  171.151   2.8732  4471.99  150.094  4616.70  180.223  4144.42  271.152  173.886   3.3957  164.689   5.3943 9.196747 6.374071 
1 1 1    3    5   39 o  613.760   7.1263 57629.23  1335.00 59022.46  1794.88 55904.13  1997.25  620.554   9.4763  603.538   10.842 17.01617 14.39964 
1 1 1    3    5   40 o  438.447   7.5504 29423.73  1010.42 30677.78  3566.23 29314.28  1053.60  439.609   26.705  437.572   7.8888 2.037598 27.84550 
1 1 1    3    5   41 o  402.148   6.3013 24734.80  773.456 27460.94  2210.36 24354.42  825.655  420.776   17.211  398.976   6.7801 21.80017 18.49792 
1 1 1    3    5   42 o  450.581   6.7395 31066.05  926.873 32121.29  1560.36 30490.70  1152.17  457.108   11.184  446.048   8.4629 11.06012 14.02490 
1 1 1    3    5   43 o  338.600   4.2660 17516.67  440.884 17994.16  678.607 17167.91  579.958  342.931   6.4833  335.068   5.6708 7.863525 8.613421 
1 1 1    3    5   44 o  522.163   6.9072 41739.90  1100.84 42437.52  1943.53 41410.36  1335.78  524.809   12.133  519.705   8.4209 5.104675 14.76902 
1 1 1    3    5   45 o  196.733   2.8308  5909.91  169.980  6370.31  336.784  5752.54  196.898  204.105   5.4061  194.076   3.3239 10.02838 6.346189 
1 1 1    3    5   46 o  198.602   2.7530  6022.67  166.882  5832.25  255.386  6164.57  220.461  195.363   4.2829  200.891   3.5955 -5.527084 5.591998 
1 1 1    3    5   47 o  269.691   3.9395 11112.39  324.288 10472.02  458.005 11756.17  459.221  261.641   5.7352  277.254   5.4266 -15.61276 7.895581 
1 1 1    3    5   48 o  146.757   3.0974  3289.21  138.742  3267.48  217.177  3304.19  180.341  146.196   4.8670  147.056   4.0179 -0.8594818 6.311158 
1 1 1    3    5   49 o   94.030   3.5089  1350.58  100.707  1436.46  137.438  1251.01  147.989   96.941   4.6450   90.281   5.3952 6.659531 7.119270 
1 1 1    3    5   50 o   66.930   2.8674  684.061   58.577  725.089   75.499  622.015   92.846   68.801   3.6079   63.604   4.8183 5.196213 6.019386 
1 1 1    3    5   51 o  201.427   2.8872  6196.01  177.505  6537.38  283.415  5975.68  227.693  206.805   4.4900  197.767   3.7721 9.037308 5.864173 
1 1 1    3    5   52 o   77.505   2.2662  917.135   53.610  949.906   73.883  880.695   77.909   78.863   3.0694   75.930   3.3617 2.933357 4.552158 
1 1 1    3    5   53 o   60.877   2.9007  566.005   53.898  698.363   87.052  483.727   68.635   67.459   4.2496   56.114   4.0343 11.34459 5.859560 
1 1 1    3    5   54 o  254.877   4.3227  9931.96  336.283 10025.95  426.383  9777.29  546.987  255.942   5.4581  252.496   7.0975 3.445557 8.953510 
1 1 1    3    5   55 o  150.812   2.8772  3474.08  132.439  3360.46  189.377  3582.84  185.284  148.253   4.1851  153.094   3.9652 -4.841202 5.765216 
1 1 1    3    5   56 o   72.492   2.5451  802.595   56.314  850.568   70.337  716.930   93.991   74.614   3.0885   68.309   4.5338 6.304924 5.485848 
1 1 1    3    5   57 o  196.152   2.6395  5877.13  158.029  6101.33  225.179  5659.55  221.832  199.772   3.6930  192.396   3.7776 7.376328 5.282805 
1 1 1    3    5   58 o  117.374   2.4307  2104.29   87.079  2083.44  109.106  2140.88  144.527  116.762   3.0615  118.303   4.0025 -1.541336 5.039152 
1 1 1    3    5   59 o  155.348   2.6462  3687.26  125.473  3727.63  137.606  3488.15  305.608  156.179   2.8867  150.631   6.6471 5.547913 7.246872 
1 1 1    3    5   60 o   64.339   2.8993  632.755   56.936  643.889   76.055  618.557   85.878   64.747   3.8661   63.387   4.4674 1.360054 5.907963 
1 1 1    3    5   61 o  151.280   3.0907  3500.02  142.711  3475.10  235.397  3514.50  179.450  150.461   5.1258  151.500   3.8807 -1.038589 6.429128 
1 1 1    3    5   62 o   76.216   4.1118  892.865   95.299  754.416  258.684  914.606  102.509   67.867   12.961   77.105   4.3737 -9.238602 13.67886 
1 1 1    3    5   63 o  100.795   2.7592  1553.84   84.886  1505.84  285.912  1558.48   88.894   97.577   9.7296  100.935   2.8855 -3.357292 10.14847 
1 1 1    3    6    0 o  504.924   21.382 39319.71  3281.79 39319.71  3281.79 39319.71  3281.79  504.924   21.382  504.924   21.382 0.000000 0.000000 
1 1 1    3    6    1 o  481.581   11.183 35496.43  1643.77 34499.03  1781.58 41205.65  4262.45  474.623   12.298  514.520   27.239 -39.89777 29.88646 
1 1 1    3    6    2 o  122.889   7.5375  2316.45  281.355  2379.01  396.888  2253.24  398.911  124.246   10.566  120.849   10.933 3.396538 15.20443 
1 1 1    3    6    3 o  153.303   4.9798  3588.79  233.011  3484.67  255.495  4103.48  568.057  151.052   5.5416  163.319   11.468 -12.26703 12.73705 
1 1 1    3    6    4 o  672.110   17.117 69440.25  3511.40 78028.49  8394.98 67619.09  3865.82  700.697   39.413  662.649   19.114 38.04846 43.80310 
1 1 1    3    6    5 o  165.878   5.2316  4202.19  264.877  4090.11  290.796  4748.15  641.818  163.638   5.8222  175.649   12.044 -12.01115 13.37770 
1 1 1    3    6    6 o  450.121   11.535 31030.19  1584.79 30582.02  1744.38 33148.83  3792.71  446.677   12.795  460.821   27.084 -14.14429 29.95415 
1 1 1    3    6    7 o  325.180   8.8203 16171.87  875.441 15635.21  963.175 18721.62  2099.44  319.653   9.8721  347.828   19.858 -28.17401 22.17618 
1 1 1    3    6    8 o  124.621   11.467  2398.73  431.265   0.0000   0.0000  2398.73  431.265  ?   ?   124.621   11.467 0.000000 11.46658 
1 1 1    3    6    9 o  228.548   4.9356  7976.94  344.299  7686.02  361.667 10789.63  1124.55  224.331   5.2821  264.815   13.962 -40.48387 14.92799 
1 1 1    3    6   10 o  236.118   9.0742  8527.57  653.968  8986.40  802.945  7623.48  1127.11  242.269   10.859  222.033   16.755 20.23627 19.96581 
1 1 1    3    6   11 o  212.389   3.7493  6886.65  243.051  6432.25  308.214  7633.90  395.246  205.236   4.9202  223.559   5.7924 -18.32329 7.600014 
1 1 1    3    6   12 o  443.988   6.4570 30113.46  875.029 28749.51  1145.04 32028.13  1356.65  433.646   8.6511  457.599   9.7133 -23.95322 13.00724 
1 1 1    3    6   13 o  719.727   13.338 79357.44  2929.97 71808.42  6118.59 81603.56  3337.52  679.598   29.497  729.474   14.990 -49.87616 33.08755 
1 1 1    3    6   14 o  637.998   11.751 62283.95  2288.34 57297.90  4780.19 63766.29  2606.40  608.882   25.721  645.316   13.233 -36.43451 28.92574 
1 1 1    3    6   15 o  374.432   7.4796 21416.26  854.804 20365.13  1790.47 21726.57  972.831  364.501   16.094  377.085   8.4524 -12.58374 18.17817 
1 1 1    3    6   16 o  249.830   3.7999  9527.33  289.755  9838.11  354.640  8903.27  502.539  253.860   4.5770  241.451   6.8190 12.40863 8.212662 
1 1 1    3    6   17 f  704.063   8.3238 75723.38  1788.74 77489.22  2278.50 72886.99  2887.73  712.024   10.484  690.181   13.708 21.84259 17.25779 
1 1 1    3    6   18 o  242.442   3.9197  8972.01  290.057  9598.00  354.808  7710.71  503.638  250.747   4.6360  224.698   7.3435 26.04861 8.684404 
1 1 1    3    6   19 o  795.072   10.501 96606.34  2548.42 107118.10  3908.61 88833.39  3361.07  836.556   15.308  761.941   14.452 74.61456 21.05225 
1 1 1    3    6   20 o  292.137   4.0535 13027.09  361.440 12988.69  433.786 13114.30  653.670  291.693   4.8723  293.046   7.3081 -1.353485 8.783381 
1 1 1    3    6   21 o  534.915   10.356 43724.91  1690.80 45060.45  3045.36 43129.79  2032.91  542.254   18.400  531.099   12.541 11.15448 22.26731 
1 1 1    3    6   22 o  264.418   3.8727 10672.13  312.549 10677.72  431.254 10665.94  453.615  264.465   5.3425  264.314   5.6228 0.1508484 7.756166 
1 1 1    3    6   23 o  372.902   5.8577 21230.86  666.715 21928.65  803.235 19685.24  1195.46  378.947   6.9446  358.878   10.914 20.06943 12.93581 
1 1 1    3    6   24 o  761.664   11.557 88690.80  2686.86 85765.68  3237.22 95167.65  4817.06  748.668   14.167  787.598   20.038 -38.92963 24.54029 
1 1 1    3    6   25 o  280.532   3.4893 12012.26  298.773 11896.18  401.150 12156.87  447.735  279.155   4.7081  282.187   5.1984 -3.032806 7.013495 
1 1 1    3    6   26 o  303.380   3.2947 14048.40  305.081 13940.50  465.848 14129.43  403.695  302.181   5.0508  304.236   4.3474 -2.054871 6.664078 
1 1 1    3    6   27 o  213.227   3.7635  6940.00  244.934  6557.45  452.298  7098.74  291.351  207.211   7.1515  215.643   4.4265 -8.431976 8.410573 
1 1 1    3    6   28 o  1136.76   22.333 198683.59  7748.83 197555.59 10537.15 200012.00 11434.82  1129.88   30.554  1135.58   32.991 -5.703369 44.96629 
1 1 1    3    6   29 o  812.213   11.867 100896.50  2941.82 98358.41  4945.65 102286.20  3659.66  800.265   20.248  817.317   14.670 -17.05151 25.00347 
1 1 1    3    6   30 o  323.528   3.7468 15977.57  369.986 15694.79  461.232 16487.95  619.641  320.631   4.7130  328.590   6.1783 -7.959076 7.770695 
1 1 1    3    6   31 o  241.557   3.4996  8906.76  258.023  9311.14  469.288  8731.55  308.904  246.923   6.2268  239.158   4.2318 7.764938 7.528633 
1 1 1    3    6   32 o  607.891   7.9447 56463.21  1474.09 56138.50  1789.77 57148.00  2599.15  605.964   9.6768  610.798   13.942 -4.834229 16.97093 
1 1 1    3    6   33 o  333.860   6.0149 17023.74  612.925 17133.99  835.349 16895.15  902.108  334.828   8.1739  332.442   8.8905 2.385742 12.07697 
1 1 1    3    6   34 o  501.853   7.7330 38494.43  1184.51 38684.56  1928.96 38379.34  1500.80  502.465   12.578  500.870   9.8170 1.594849 15.95534 
1 1 1    3    6   35 o  424.158   6.5179 27491.50  843.821 27095.88  1017.33 28363.83  1510.65  420.966   7.9176  430.252   11.503 -9.285767 13.96478 
1 1 1    3    6   36 o  188.064   3.4231  5399.83  196.490  5266.87  234.945  5709.24  358.403  185.716   4.1448  193.290   6.0750 -7.574188 7.354207 
1 1 1    3    6   37 o  150.417   2.1986  3453.55  100.940  3389.81  123.033  3584.82  176.545  149.014   2.7051  153.219   3.7751 -4.204453 4.644203 
1 1 1    3    6   38 o  422.090   5.1384 27222.53  661.992 25769.71  1016.22 28293.51  872.520  410.298   8.1147  430.136   6.6459 -19.83789 10.48884 
1 1 1    3    6   39 o  218.418   3.2095  7284.33  213.965  6310.56  408.290  7653.00  251.225  203.127   6.5854  223.859   3.6768 -20.73213 7.542332 
1 1 1    3    6   40 o  483.795   7.4639 35826.61  1102.16 34254.45  1972.30 36540.49  1329.04  471.397   13.708  488.280   8.9177 -16.88339 16.35329 
1 1 1    3    6   41 o  405.368   5.0915 25114.75  629.958 24667.67  996.472 25412.38  813.044  401.284   8.1357  407.568   6.5358 -6.284424 10.43582 
1 1 1    3    6   42 o  226.136   3.1417  7808.80  216.848  7908.29  344.435  7743.47  279.105  227.470   4.9610  225.143   4.0616 2.327682 6.411498 
1 1 1    3    6   43 o  286.381   4.5928 12533.19  401.459 12605.59  677.737 12494.06  498.286  286.852   7.7408  285.829   5.7116 1.023224 9.619880 
1 1 1    3    6   44 o  127.423   1.9689  2478.54   76.575  2398.11  103.436  2576.09  113.908  125.324   2.7041  129.887   2.8732 -4.563179 3.945564 
1 1 1    3    6   45 o  396.321   5.6914 24025.08  688.462 23984.41  752.481 24234.05  1705.69  395.897   6.2272  395.741   14.121 0.1561584 15.43326 
1 1 1    3    6   46 o  114.077   3.3867  1987.65  117.922  2096.67  180.961  1907.19  155.462  117.104   5.0628  111.707   4.5596 5.397522 6.813407 
1 1 1    3    6   47 o  146.847   3.2549  3293.46  145.888  3265.04  178.240  3351.12  253.930  146.183   3.9948  148.013   5.6208 -1.829819 6.895734 
1 1 1    3    6   48 o  111.178   2.3598  1887.13   80.078  1898.16  102.494  1869.85  128.295  111.488   3.0120  110.631   3.7994 0.8564224 4.848466 
1 1 1    3    6   49 o   40.175   4.4926  249.757   54.146  267.720   71.262  225.221   83.283   41.433   5.7935   37.678   7.5055 3.754890 9.481408 
1 1 1    3    6   50 o  280.035   4.1366 11983.64  353.567 12428.49  497.483 11529.60  502.594  285.012   5.7187  274.477   5.9992 10.53519 8.288193 
1 1 1    3    6   51 o   94.522   2.6359  1364.28   76.047  1325.79  103.164  1410.08  112.539   93.156   3.6283   96.065   3.8381 -2.909462 5.281633 
1 1 1    3    6   52 o  147.463   2.1292  3319.90   95.834  3049.18  145.249  3528.59  127.532  141.281   3.3683  152.008   2.7488 -10.72632 4.347548 
1 1 1    3    6   53 o  129.412   2.8768  2557.83  113.634  2483.84  157.875  2637.36  163.687  127.478   4.0575  131.357   4.0826 -3.879410 5.755996 
1 1 1    3    6   54 f  139.132   3.8489  2958.63  163.450  2979.45  170.936  2736.42  558.452  139.612   4.0114  131.887   14.091 7.724533 14.65079 
1 1 1    3    6   55 o   30.520   5.2262  146.573   46.933  130.851   55.246  187.344   88.965   28.652   6.4703   34.233   8.5420 -5.581636 10.71589 
1 1 1    3    6   56 o  141.196   2.2859  3044.46   98.516  3148.39  139.122  2939.93  139.524  143.544   3.1754  138.704   3.2957 4.840118 4.576508 
1 1 1    3    6   57 o  116.165   2.2649  2060.84   80.305  2159.51   98.660  1867.11  138.238  118.896   2.7187  110.483   4.0994 8.412575 4.918923 
1 1 1    3    6   58 o   21.855   5.7709   75.889   39.065   79.424   48.353   69.244   66.289   22.545   6.6030   22.481   7.8508 0.6393242E-01 10.25843 
1 1 1    3    6   59 o  110.700   2.4727  1872.17   83.548  1896.82  102.160  1822.39  145.181  111.397   3.0046  109.095   4.3600 2.302849 5.295054 
1 1 1    3    6   60 o  184.001   3.4179  5179.15  191.952  5055.63  303.012  5261.95  248.077  181.457   5.4710  185.324   4.3857 -3.866318 7.011861 
1 1 1    3    6   61 o  176.654   4.0447  4780.74  218.085  5014.38  307.925  4545.59  308.915  180.607   5.5859  171.888   5.8881 8.718903 8.116197 
1 1 1    3    6   62 o  270.930   3.9413 11248.46  325.920 11717.06  471.563 10819.90  450.968  275.938   5.5990  265.174   5.5718 10.76379 7.898995 
1 1 1    3    6   63 o   93.251   2.2724  1329.11   64.679  1341.97   87.010  1313.24   96.693   93.644   3.0442   92.603   3.4210 1.041336 4.579370 
1 1 1    3    7    0 o  215.446   10.092  7140.04  660.308  7140.04  660.308  7140.04  660.308  215.446   10.092  215.446   10.092 0.000000 0.000000 
1 1 1    3    7    1 o  364.763   11.080 20374.06  1233.55 20334.56  1744.93 20413.53  1744.09  363.787   15.715  364.499   15.677 -0.7116699 22.19728 
1 1 1    3    7    2 o  147.827   8.2347  3351.58  370.076  3464.38  527.184  3242.00  519.631  149.942   11.610  144.992   11.845 4.950684 16.58596 
1 1 1    3    7    3 o  529.849   22.403 43444.00  3623.00 43067.13  5123.56 43820.91  5123.84  522.778   32.268  527.499   31.975 -4.720703 45.42691 
1 1 1    3    7    4 o  248.150   11.467  9432.19  868.509  9096.19  1227.29  9769.26  1229.23  242.635   16.673  251.596   16.091 -8.960648 23.17169 
1 1 1    3    7    5 o  141.127   3.6281  3040.64  156.280  3085.07  220.767  2996.02  221.261  142.128   5.0890  140.060   5.1757 2.067993 7.258552 
1 1 1    3    7    6 o   84.041   3.0893  1078.17   79.245  1429.22  111.492  719.730  112.657   96.754   3.7753   68.430   5.4387 28.32431 6.620592 
1 1 1    3    7    7 f  418.005   11.594 26764.37  1479.16 26764.37  1479.16   0.0000   0.0000  418.005   11.594  ?   ?  0.000000 11.59354 
1 1 1    3    7    8 o  526.866   14.391 42595.53  2314.26 42595.53  2314.26   0.0000   0.0000  526.866   14.391  ?   ?  0.000000 14.39114 
1 1 1    3    7    9 f   80.682   10.313  1012.20  248.147  1012.20  248.147   0.0000   0.0000   80.682   10.313  ?   ?  0.000000 10.31251 
1 1 1    3    7   10 f  236.859   4.8244  8566.48  348.780  8688.29  518.413  8465.75  471.427  238.461   7.1226  235.409   6.5611 3.052795 9.683982 
1 1 1    3    7   11 o  498.930   17.214 38232.87  2621.40 36971.96  4541.52 38862.86  3210.15  486.346   30.753  502.258   20.940 -15.91135 37.20498 
1 1 1    3    7   12 o  375.205   13.280 21558.44  1520.83 19681.91  1863.71 25298.41  2631.09  358.106   17.051  404.798   21.371 -46.69257 27.33952 
1 1 1    3    7   13 o  540.399   17.870 44814.65  2947.54 46266.84  5113.50 44092.04  3607.09  545.285   30.851  535.247   22.079 10.03839 37.93747 
1 1 1    3    7   14 o  197.667   6.2976  5966.56  379.946  6081.43  493.330  5799.10  595.672  199.519   8.1009  194.519   10.067 5.000565 12.92201 
1 1 1    3    7   15 o  451.687   12.017 31200.91  1656.78 31292.69  2140.10 31063.62  2617.37  452.038   15.511  449.984   19.057 2.054260 24.57150 
1 1 1    3    7   16 o  325.925   6.9388 16222.09  690.273 18094.48  1246.04 15393.06  829.123  344.004   11.867  317.433   8.5576 26.57068 14.63091 
1 1 1    3    7   17 o  584.715   14.064 52310.54  2510.00 54262.71  3550.00 50359.08  3549.36  594.816   19.554  572.911   20.298 21.90436 28.18405 
1 1 1    3    7   18 o  415.881   8.2057 26417.57  1041.60 25597.42  1251.72 28264.10  1878.19  409.290   10.020  429.799   14.317 -20.50916 17.47511 
1 1 1    3    7   19 o  449.591   6.5640 30864.03  900.752 30740.07  1381.89 30955.60  1187.75  448.524   10.094  450.169   8.6444 -1.645081 13.28972 
1 1 1    3    7   20 o  172.356   2.6974  4533.99  141.903  4584.05  246.704  4509.23  173.472  173.290   4.6643  171.881   3.3066 1.408508 5.717469 
1 1 1    3    7   21 o   43.793   2.3816  293.574   31.715  276.636   41.086  318.548   49.888   42.453   3.1942   45.540   3.6190 -3.087006 4.827007 
1 1 1    3    7   22 o  494.568   7.2223 37353.52  1090.23 39341.70  1356.29 33722.98  1832.77  507.479   8.7562  469.583   12.787 37.89670 15.49796 
1 1 1    3    7   23 o  233.899   4.1519  8351.12  296.408  8805.09  361.544  7420.45  517.659  240.161   4.9322  220.420   7.6944 19.74150 9.139512 
1 1 1    3    7   24 o  282.943   5.4127 12222.50  467.449 14042.35  1176.78 11881.54  509.359  303.002   12.724  278.957   5.9823 24.04572 14.06038 
1 1 1    3    7   25 o  487.553   7.5489 36306.05  1123.37 36932.07  2012.54 36022.73  1353.92  491.312   13.421  485.556   9.1356 5.755798 16.23480 
1 1 1    3    7   26 o  216.137   3.6948  7130.71  243.747  7274.83  1056.70  7122.61  250.503  217.339   16.043  216.013   3.7994 1.326096 16.48644 
1 1 1    3    7   27 o  181.540   3.3558  5030.42  185.944  4887.86  345.080  5088.75  220.730  178.910   6.3193  182.583   3.9608 -3.672775 7.457965 
1 1 1    3    7   28 o  816.247   10.540 101854.20  2625.81 98564.98  3713.73 105142.50  3713.20  802.219   15.167  828.647   14.681 -26.42786 21.10865 
1 1 1    3    7   29 o  359.634   4.4511 19744.64  488.593 19628.24  635.175 19913.33  764.648  358.532   5.8043  361.084   6.9380 -2.551910 9.045769 
1 1 1    3    7   30 o  276.062   4.2240 11634.18  355.913 10961.54  571.031 12061.49  455.133  267.891   6.9837  281.061   5.3054 -13.17004 8.770361 
1 1 1    3    7   31 o  238.048   4.5728  8651.40  332.246  9325.64  486.448  8061.84  454.873  247.101   6.4498  229.748   6.4867 17.35382 9.147484 
1 1 1    3    7   32 o  119.394   2.8494  2175.84  103.839  2457.13  130.212  1684.49  172.097  126.873   3.3625  104.890   5.3938 21.98282 6.356058 
1 1 1    3    7   33 o  200.066   3.6127  6110.43  220.609  6299.96  393.990  6023.86  266.264  203.077   6.3563  198.628   4.3919 4.448669 7.726058 
1 1 1    3    7   34 o  317.464   6.3141 15398.37  611.823 15400.97  828.969 15395.25  906.749  317.337   8.5585  317.212   9.3653 0.1250610 12.68687 
1 1 1    3    7   35 f  540.486   6.9295 44654.73  1143.16 44819.05  1581.30 44474.85  1654.52  541.077   9.5750  538.908   10.059 2.168823 13.88731 
1 1 1    3    7   36 o   54.005   2.6574  445.222   43.803  472.829   57.393  406.708   67.789   55.545   3.4017   51.420   4.3604 4.125160 5.530307 
1 1 1    3    7   37 o  347.532   7.1381 18474.47  757.167 19686.98  1369.14 17940.26  908.784  357.904   12.533  342.281   8.6988 15.62314 15.25622 
1 1 1    3    7   38 o  189.816   2.9328  5500.92  169.913  5559.38  209.615  5388.90  290.151  190.801   3.5993  187.794   5.0620 3.006851 6.211230 
1 1 1    3    7   39 o  107.906   6.1241  1786.17  200.868  1685.10  475.808  1808.09  221.582  103.315   15.572  108.511   6.7234 -5.195656 16.96169 
1 1 1    3    7   40 o  331.394   5.1936 16785.46  525.325 16438.68  970.996 16928.96  624.633  327.336   9.7187  332.707   6.1510 -5.371063 11.50163 
1 1 1    3    7   41 o  421.930   5.7095 27221.33  735.287 26903.22  1509.11 27320.35  841.992  418.130   11.825  422.571   6.5282 -4.441803 13.50709 
1 1 1    3    7   42 o  209.714   4.1800  6719.19  267.557  7215.76  688.526  6630.87  290.378  216.708   10.409  208.309   4.5671 8.398865 11.36730 
1 1 1    3    7   43 o  294.573   5.0421 13264.90  453.342 13818.49  622.032 12637.72  662.086  300.453   6.7830  287.225   7.5522 13.22769 10.15108 
1 1 1    3    7   44 o  254.727   3.3084  9909.83  257.222  9866.88  333.999  9972.45  403.239  254.108   4.3064  255.391   5.1730 -1.283340 6.730844 
1 1 1    3    7   45 o   20.199   5.2860   64.671   32.967   11.925   41.253  157.886   54.840   14.530   5.9160   31.618   5.8996 -17.08832 8.354881 
1 1 1    3    7   46 o  292.492   4.5780 13076.09  408.704 13448.51  656.703 12840.65  522.149  296.285   7.2618  289.700   5.9051 6.585358 9.359680 
1 1 1    3    7   47 o  280.918   3.5194 12054.30  301.758 11631.23  452.603 12392.85  404.876  275.776   5.3771  284.737   4.6587 -8.961517 7.114481 
1 1 1    3    7   48 o  129.195   2.3363  2548.33   92.127  2488.86  121.346  2629.26  141.550  127.658   3.1143  131.196   3.5348 -3.537804 4.711051 
1 1 1    3    7   49 o  218.408   2.9998  7284.87  199.979  8013.83  256.884  6163.54  318.604  229.035   3.6747  200.758   5.1995 28.27748 6.366948 
1 1 1    3    7   50 o  180.638   3.4924  4984.61  192.552  4991.87  240.968  4971.78  320.264  180.720   4.3685  180.250   5.8213 0.4705963 7.278135 
1 1 1    3    7   51 o   82.565   2.8880  1041.08   72.779  937.115   92.719  1207.95  117.469   78.312   3.8790   88.897   4.3293 -10.58549 5.812892 
1 1 1    3    7   52 o  149.419   3.3037  3410.54  150.666  3455.53  190.813  3336.03  245.537  150.358   4.1578  147.653   5.4483 2.704987 6.853538 
1 1 1    3    7   53 o  194.835   3.6726  5800.81  218.400  6397.58  389.973  5528.11  263.620  204.358   6.2521  190.134   4.5426 14.22408 7.728096 
1 1 1    3    7   54 o  192.306   3.5885  5651.50  210.633  5925.16  346.211  5490.67  265.403  196.696   5.7667  189.469   4.5894 7.227554 7.370005 
1 1 1    3    7   55 o   95.506   2.3613  1392.92   68.834  1383.62   80.292  1418.72  133.707   95.175   2.7640   96.302   4.5488 -1.127251 5.322718 
1 1 1    3    7   56 o   81.320   2.8871  1010.29   71.659  959.862  103.360  1056.96   99.436   79.097   4.2974   83.140   3.9185 -4.042648 5.815696 
1 1 1    3    7   57 o  106.996   3.1518  1749.61  102.930  1760.75  105.776  1550.80  446.709  107.332   3.2288   98.079   15.432 9.253708 15.76621 
1 1 1    3    7   58 o  181.153   2.4852  5013.22  137.412  5115.99  192.683  4906.86  196.020  182.915   3.4513  179.124   3.5853 3.791443 4.976520 
1 1 1    3    7   59 o  248.145   3.1930  9415.17  241.834  9855.55  364.924  9070.32  322.924  253.596   4.7146  243.360   4.3474 10.23647 6.413076 
1 1 1    3    7   60 o  121.297   2.4976  2248.39   92.469  2287.06  147.421  2223.30  118.729  122.211   3.9521  120.563   3.2264 1.647430 5.101894 
1 1 1    3    7   61 o  110.261   3.5059  1861.03  117.988  1779.70  186.695  1915.12  152.246  107.405   5.7155  111.746   4.4637 -4.340691 7.252025 
1 1 1    3    7   62 o  156.127   5.0758  3746.87  241.878  3760.43  251.915  3586.75  865.479  156.364   5.2784  144.367   20.194 11.99702 20.87258 
1 1 1    3    7   63 o   92.200   7.6731  1329.70  213.972  1480.25  393.385  1266.44  254.992   94.799   14.018   89.391   9.4910 5.407669 16.92908 
1 1 1    3    8    0 o  180.390   13.368  5058.98  726.757  5058.98  726.757  5058.98  726.757  180.390   13.368  180.390   13.368 -0.000000 0.000000 
1 1 1    3    8    1 o  136.799   8.1246  2871.12  337.714  2984.22  477.079  2757.53  478.121  139.138   11.332  133.648   11.844 5.490036 16.39172 
1 1 1    3    8    2 f  650.144   16.509 64978.34  3275.99 63656.43  3606.60 71212.95  7832.54  642.939   18.379  668.943   38.524 -26.00366 42.68380 
1 1 1    3    8    3 o  497.359   20.983 38190.06  3185.40 39462.44  4505.77 36918.73  4503.91  501.944   29.540  485.000   30.582 16.94409 42.51899 
1 1 1    3    8    4 o  447.680   12.346 30705.97  1686.98 30705.97  1686.98   0.0000   0.0000  447.680   12.346  ?   ?  0.000000 12.34595 
1 1 1    3    8    5 o  288.742   18.583 12884.96  1629.07 12884.96  1629.07   0.0000   0.0000  288.742   18.583  ?   ?  0.000000 18.58344 
1 1 1    3    8    6 o  401.065   24.768 25000.10  3017.07 25000.10  3017.07   0.0000   0.0000  401.065   24.768  ?   ?  0.000000 24.76761 
1 1 1    3    8    7 o  577.175   35.115 52442.59  6156.70 52442.59  6156.70   0.0000   0.0000  577.175   35.115  ?   ?  0.000000 35.11500 
1 1 1    3    8    8 o  260.358   7.2740 10356.86  578.045 10008.34  635.294 12033.37  1393.35  255.904   8.1336  279.515   16.404 -23.61111 18.30959 
1 1 1    3    8    9 o  229.845   4.9466  8066.17  347.021  7985.40  490.453  8147.15  491.072  228.634   7.0281  230.940   6.9667 -2.306000 9.895944 
1 1 1    3    8   10 o  497.691   30.227 38570.14  4569.96   0.0000   0.0000 38570.14  4569.96  ?   ?   497.691   30.227 0.000000 30.22714 
1 1 1    3    8   11 o  291.022   8.4380 12940.77  749.517   0.0000   0.0000 12940.77  749.517  ?   ?   291.022   8.4380 0.000000 8.437971 
1 1 1    3    8   12 o  240.980   5.2538  8866.14  386.432  8247.52  547.873  9478.58  545.132  232.364   7.7249  249.119   7.1693 -16.75487 10.53916 
1 1 1    3    8   13 o  335.413   5.8631 17177.56  600.234 16812.54  654.966 19091.84  1499.90  331.812   6.4671  353.203   13.913 -21.39136 15.34259 
1 1 1    3    8   14 o  597.911   10.116 54634.97  1846.08 54131.94  2723.16 55062.74  2511.21  594.651   15.004  599.894   13.715 -5.242859 20.32741 
1 1 1    3    8   15 o  932.102   14.824 132974.50  4217.54 131821.00  4786.31 136980.80  8920.33  927.649   16.904  941.456   31.043 -13.80670 35.34723 
1 1 1    3    8   16 o  255.868   3.7430  9993.04  292.315  9745.68  374.975 10376.23  466.710  252.666   4.8623  260.694   5.8654 -8.027817 7.618707 
1 1 1    3    8   17 o  940.755   15.570 135472.80  4470.70 126352.00  6594.18 143231.41  6081.89  906.701   23.828  966.219   20.623 -59.51880 31.51269 
1 1 1    3    8   18 o  890.622   12.160 121274.30  3305.45 117270.10  5434.05 123626.10  4164.52  874.354   20.362  898.756   15.181 -24.40295 25.39837 
1 1 1    3    8   19 o  365.020   5.5376 20341.69  616.956 22433.11  1524.42 19932.02  674.680  382.993   13.041  361.311   6.1179 21.68204 14.40431 
1 1 1    3    8   20 o  659.683   9.8603 66495.87  1985.37 68074.40  2469.91 63613.61  3337.49  667.255   12.128  644.446   16.967 22.80908 20.85595 
1 1 1    3    8   21 o  1256.21   23.013 242498.41  8823.66 248403.70 10052.89 222683.91 18414.57  1270.23   25.929  1188.07   50.781 82.16113 57.01802 
1 1 1    3    8   22 o  386.126   6.5277 22766.43  769.314 23935.50  1046.72 21393.03  1134.52  395.830   8.6638  374.157   9.9344 21.67239 13.18153 
1 1 1    3    8   23 f  247.340   5.3478  9339.99  403.727  9871.45  542.302  8679.21  604.690  254.244   6.9883  238.363   8.3115 15.88058 10.85897 
1 1 1    3    8   24 o  718.820   10.804 78985.95  2370.43 85009.97  4248.10 76262.25  2856.48  744.495   18.695  706.021   13.256 38.47345 22.91716 
1 1 1    3    8   25 o  646.032   9.8196 63783.69  1936.27 61832.22  2533.04 66526.85  3003.21  635.727   13.054  659.166   14.927 -23.43927 19.83009 
1 1 1    3    8   26 o  668.891   10.152 68387.32  2072.56 64944.82  8085.95 68629.39  2144.19  642.808   41.434  670.039   10.484 -27.23083 42.73944 
1 1 1    3    8   27 o  357.368   5.4633 19499.42  595.924 18697.04  741.872 20958.81  1000.52  349.888   6.9468  370.360   8.8509 -20.47174 11.25145 
1 1 1    3    8   28 o  255.726   5.7718  9985.56  450.508  9776.13  513.136 10689.89  941.010  253.007   6.6448  264.369   11.662 -11.36157 13.42206 
1 1 1    3    8   29 o  450.654   6.5636 31016.93  902.817 29772.62  1105.97 33502.17  1563.02  441.428   8.2086  468.048   10.941 -26.61978 13.67791 
1 1 1    3    8   30 o  489.362   7.2106 36582.63  1077.01 37315.66  1671.42 36062.16  1408.37  493.910   11.087  485.693   9.5003 8.216766 14.60073 
1 1 1    3    8   31 o  335.870   4.2958 17222.54  440.383 18548.23  779.067 16600.03  533.859  348.428   7.3256  329.710   5.3049 18.71780 9.044695 
1 1 1    3    8   32 o  334.658   5.8180 17105.86  594.277 16853.87  840.694 17357.53  840.175  332.044   8.2952  336.978   8.1687 -4.933258 11.64204 
1 1 1    3    8   33 o  741.359   21.852 85015.27  4944.60 83719.30  6993.33 86310.78  6992.11  730.522   31.364  742.057   30.871 -11.53491 44.00846 
1 1 1    3    8   34 o  119.277   2.8654  2171.81  104.318  2197.29  128.693  2122.99  178.136  119.967   3.5146  117.897   4.9503 2.069847 6.071079 
1 1 1    3    8   35 o  209.613   3.9385  6709.41  251.977  6651.30  280.403  6953.21  574.347  208.687   4.4022  213.129   8.8291 -4.441330 9.865705 
1 1 1    3    8   36 o  390.980   4.7573 23352.34  567.722 23395.20  748.183 23294.17  871.646  391.195   6.2661  390.227   7.3182 0.9685364 9.634343 
1 1 1    3    8   37 o  135.854   2.9230  2817.80  121.205  2799.73  195.151  2829.15  154.649  135.372   4.7231  136.109   3.7226 -0.7373352 6.013720 
1 1 1    3    8   38 o  289.975   4.0695 12843.46  360.177 13311.25  534.442 12454.21  487.519  295.065   5.9343  285.437   5.5958 9.627869 8.156510 
1 1 1    3    8   39 o  143.638   2.6350  3149.87  115.524  3006.76  226.350  3200.28  134.338  140.255   5.2874  144.774   3.0401 -4.518219 6.099129 
1 1 1    3    8   40 o  288.038   3.4620 12670.42  304.366 12520.52  528.122 12744.97  372.439  286.122   6.0474  288.834   4.2246 -2.711945 7.376871 
1 1 1    3    8   41 o  312.638   4.8847 14938.79  466.121 15067.98  725.131 14847.82  608.493  313.661   7.5742  311.520   6.3996 2.141449 9.915833 
1 1 1    3    8   42 o  302.674   3.7639 13993.96  347.717 13989.74  521.878 13997.33  466.294  302.453   5.6532  302.599   5.0487 -0.1459656 7.579427 
1 1 1    3    8   43 o   83.098   2.7613  1054.39   70.035  1033.89  111.758  1067.64   89.871   82.130   4.4751   83.605   3.5218 -1.475311 5.694691 
1 1 1    3    8   44 o  265.906   3.1995 10798.42  259.674 10902.07  323.122 10609.39  436.344  267.128   3.9631  263.389   5.4277 3.738770 6.720535 
1 1 1    3    8   45 o  175.210   2.8159  4687.66  150.589  4465.49  208.172  4931.55  218.104  170.958   3.9895  179.659   3.9774 -8.700653 5.633435 
1 1 1    3    8   46 o  191.356   2.9809  5591.86  174.101  5590.26  241.599  5593.59  251.110  191.270   4.1384  191.318   4.3002 -0.4734802E-01 5.968093 
1 1 1    3    8   47 o  380.891   6.2448 22205.01  725.993 22463.57  993.234 21908.40  1063.81  382.627   8.5047  377.689   9.2281 4.937744 12.54944 
1 1 1    3    8   48 o  121.944   2.5488  2270.51   94.868  2257.20  136.848  2282.83  131.632  121.553   3.6885  122.247   3.5278 -0.6937408 5.104010 
1 1 1    3    8   49 o  250.902   3.4260  9616.09  262.363  9873.35  413.251  9442.38  339.579  254.070   5.3290  248.544   4.4763 5.524979 6.959556 
1 1 1    3    8   50 o  404.944   5.0057 25077.17  618.697 25042.02  977.306 25100.69  799.248  404.030   7.9250  404.853   6.4680 -0.8232117 10.22938 
1 1 1    3    8   51 o  323.001   5.9961 15972.27  591.138 16763.12  2072.53 15902.24  616.757  324.568   21.034  322.245   6.2706 2.323242 21.94877 
1 1 1    3    8   52 f  141.736   3.9688  3070.40  171.694  3103.93  247.459  3039.27  238.418  142.397   5.6936  140.917   5.5432 1.479843 7.946314 
1 1 1    3    8   53 o  150.447   3.1390  3457.75  144.145  3752.46  246.198  3304.03  177.807  156.595   5.1510  147.022   3.9623 9.573364 6.498666 
1 1 1    3    8   54 o  165.458   3.7230  4184.39  188.018  4660.98  526.729  4114.80  201.277  173.522   9.9874  164.055   4.0196 9.466827 10.76595 
1 1 1    3    8   55 o   72.668   3.0132  806.781   66.833  958.481  132.299  754.804   77.440   78.911   5.5278   70.177   3.6278 8.733566 6.611928 
1 1 1    3    8   56 o   17.244   7.0646   15.318   59.285  -0.2366  104.296   22.743   72.058   21.360   9.1004   19.279   7.8307 2.081402 12.00573 
1 1 1    3    8   57 o  169.890   4.4767  4418.35  232.135  4482.70  259.619  4161.81  518.392  171.061   4.9724  163.456   10.445 7.605453 11.56836 
1 1 1    3    8   58 o  105.560   2.8718  1702.98   92.526  1740.98  161.344  1684.36  112.944  106.578   4.9598  104.942   3.5261 1.635773 6.085508 
1 1 1    3    8   59 o   90.930   4.1548  1266.26  115.312  1239.62  134.894  1338.58  222.228   89.770   4.9422   92.739   7.9270 -2.969841 9.341476 
1 1 1    3    8   60 o   92.362   3.5582  1305.74  100.309  1388.77  649.869  1303.72  101.526   88.185   23.655   92.287   3.6043 -4.101906 23.92818 
1 1 1    3    8   61 o  126.504   4.8876  2457.74  188.721  2888.95  735.489  2427.35  195.258  130.505   19.024  125.686   5.0899 4.818756 19.69287 
1 1 1    3    8   62 o  135.013   3.8074  2793.85  156.898  2897.00  227.615  2700.48  216.571  137.178   5.4362  132.460   5.3567 4.717880 7.631964 
1 1 1    3    9    2 o  266.694   17.445 10970.55  1412.20 10970.55  1412.20   0.0000   0.0000  266.694   17.445  ?   ?  0.000000 17.44475 
1 1 1    3    9    3 o  403.111   24.840 25205.66  3041.39 25205.66  3041.39   0.0000   0.0000  403.111   24.840  ?   ?  0.000000 24.83996 
1 1 1    3    9    4 o  429.211   11.868 28193.57  1554.77 28193.57  1554.77   0.0000   0.0000  429.211   11.868  ?   ?  0.000000 11.86800 
1 1 1    3    9    5 o  300.156   13.428 13797.17  1230.22 13448.85  1741.07 14144.47  1738.51  295.159   19.435  302.819   18.904 -7.660400 27.11227 
1 1 1    3    9    6 f  621.203   25.989 59621.99  4927.66 57845.13  6968.44 61399.18  6969.09  606.658   37.822  625.625   36.656 -18.96680 52.67016 
1 1 1    3    9    7 o  673.466   16.856 69558.97  3464.93 68560.90  3814.47 74268.23  8285.74  668.239   18.702  687.234   39.670 -18.99573 43.85718 
1 1 1    3    9    8 o  610.484   36.839 58338.35  6832.16   0.0000   0.0000 58338.35  6832.16  ?   ?   610.484   36.839 0.000000 36.83885 
1 1 1    3    9    9 o  773.559   20.819 91929.41  4915.48   0.0000   0.0000 91929.41  4915.48  ?   ?   773.559   20.819 0.000000 20.81879 
1 1 1    3    9   10 o  691.717   41.653 75127.61  8753.13   0.0000   0.0000 75127.61  8753.13  ?   ?   691.717   41.653 0.000000 41.65320 
1 1 1    3    9   11 o  172.042   3.7189  4517.94  195.282  4471.79  288.955  4556.74  264.946  171.141   5.5317  172.765   5.0244 -1.624435 7.472895 
1 1 1    3    9   12 o  497.686   20.942 38025.16  3181.20   0.0000   0.0000 38025.16  3181.20  ?   ?   497.686   20.942 0.000000 20.94202 
1 1 1    3    9   13 o  762.577   24.808 89462.96  5774.11 100216.10 10010.60 84101.75  7068.44  800.554   41.107  737.601   31.397 62.95270 51.72597 
1 1 1    3    9   14 o  787.692   15.823 94991.55  3804.31 92347.80  4334.19 103864.10  7940.04  776.238   18.293  819.724   31.735 -43.48590 36.63005 
1 1 1    3    9   15 o  715.429   11.949 78252.36  2609.17 77407.50  2848.43 82657.00  6503.84  711.426   13.118  732.067   29.107 -20.64069 31.92665 
1 1 1    3    9   16 o  242.308   4.4568  8962.51  329.618  8831.82  373.405  9423.76  701.515  240.526   5.0863  248.363   9.2541 -7.837234 10.55974 
1 1 1    3    9   17 o  455.855   7.8125 31737.55  1087.02 30587.08  1538.09 32885.59  1536.46  447.332   11.265  463.862   10.852 -16.52988 15.64196 
1 1 1    3    9   18 o  261.055   5.5380 10404.47  441.270 10087.20  762.314 10564.34  541.150  256.939   9.7204  263.028   6.7406 -6.088684 11.82889 
1 1 1    3    9   19 o  483.025   10.387 35656.39  1531.31 36663.82  2461.61 35020.45  1955.80  489.279   16.483  478.475   13.392 10.80383 21.23789 
1 1 1    3    9   20 o  398.029   9.5168 24207.09  1156.18 26021.29  2125.94 23445.17  1377.73  412.138   16.900  391.604   11.527 20.53342 20.45675 
1 1 1    3    9   21 o  950.945   31.951 139941.59  9273.90 141604.50 16065.42 139110.59 11357.26  941.620   56.154  944.728   39.387 -3.107910 68.58981 
1 1 1    3    9   22 o  623.632   9.3718 59426.85  1783.90 68403.54  7175.99 58835.57  1841.71  662.678   35.609  620.493   9.7245 42.18500 36.91280 
1 1 1    3    9   23 o  270.093   6.4291 11139.69  530.004 11773.06  1603.06 11061.96  561.586  276.366   19.122  269.138   6.8363 7.227386 20.30705 
1 1 1    3    9   24 f  154.627   2.5942  3649.21  122.435  3870.48  239.121  3570.59  142.537  159.225   4.9203  152.949   3.0533 6.275864 5.790640 
1 1 1    3    9   25 o  714.627   18.667 78355.07  4071.71 78223.63  9116.09 78387.83  4550.88  705.005   42.564  714.300   20.874 -9.294922 47.40663 
1 1 1    3    9   26 o  583.974   9.8092 52124.04  1748.41 53882.91  2474.15 50369.51  2471.10  593.320   13.662  573.593   14.115 19.72675 19.64377 
1 1 1    3    9   27 o  357.944   7.0548 19569.39  770.758 17390.12  1044.50 22174.77  1142.06  337.276   10.146  380.879   9.8239 -43.60297 14.12285 
1 1 1    3    9   28 o  408.844   6.2718 25527.29  782.643 26017.96  973.731 24631.77  1315.46  412.680   7.7305  401.339   10.739 11.34119 13.23176 
1 1 1    3    9   29 o  393.915   5.7149 23695.40  687.112 23465.83  855.063 24113.85  1154.43  391.932   7.1478  397.156   9.5233 -5.223785 11.90731 
1 1 1    3    9   30 o  103.654   2.1651  1639.85   68.498  1685.90  109.075  1609.87   88.019  105.092   3.4005  102.699   2.8080 2.393158 4.409988 
1 1 1    3    9   31 o  355.779   5.4140 19331.21  587.915 18914.06  753.420 19980.69  940.106  351.834   7.0159  361.515   8.5199 -9.681305 11.03681 
1 1 1    3    9   32 o  424.078   5.6854 27471.45  735.911 28811.07  1040.52 26130.71  1040.95  434.113   7.8529  413.389   8.2500 20.72388 11.38994 
1 1 1    3    9   33 o   86.755   3.1553  1148.99   83.552  1242.46  118.627  1056.98  117.698   90.201   4.3088   83.061   4.6613 7.140015 6.347733 
1 1 1    3    9   34 o  105.764   2.7785  1707.62   89.693  1710.66  105.300  1699.56  171.206  105.852   3.2592  105.336   5.3426 0.5158615 6.258222 
1 1 1    3    9   35 o  202.488   3.0406  6259.80  187.923  6760.88  227.328  5178.37  333.967  210.421   3.5396  184.062   5.9446 26.35812 6.918556 
1 1 1    3    9   36 o  201.510   3.5159  6200.73  216.247  6282.85  274.393  6066.13  351.303  202.805   4.4328  199.210   5.7777 3.594894 7.282275 
1 1 1    3    9   37 o   60.446   6.3178  564.818  114.838  461.961  368.829  575.860  120.844   55.877   18.536   61.005   6.5949 -5.127857 19.67466 
1 1 1    3    9   38 o  230.021   3.8682  8081.31  271.580  7871.51  501.888  8168.17  322.945  226.780   7.2508  231.216   4.5761 -4.435776 8.574064 
1 1 1    3    9   39 o  107.029   2.3348  1748.75   76.273  1673.67  221.452  1758.86   81.244  104.340   6.9941  107.336   2.4799 -2.994965 7.420709 
1 1 1    3    9   40 o  389.051   5.8133 23147.68  690.317 24150.36  1073.28 22440.22  901.538  396.840   8.8609  382.755   7.7170 14.08478 11.75022 
1 1 1    3    9   41 o  119.022   2.4099  2162.76   87.548  1871.70  123.401  2457.71  124.226  110.697   3.6523  126.860   3.2082 -16.16342 4.861290 
1 1 1    3    9   42 o  111.586   2.5732  1901.09   87.638  1888.55  123.392  1913.85  124.494  111.192   3.6358  111.934   3.6439 -0.7421036 5.147510 
1 1 1    3    9   43 o  274.630   3.2686 11518.94  273.982 12085.57  387.965 10955.20  386.975  281.206   4.5201  267.714   4.7358 13.49237 6.546714 
1 1 1    3    9   44 o  134.130   2.8830  2747.29  118.031  2935.99  155.209  2488.52  181.759  138.634   3.6680  127.595   4.6671 11.03972 5.935987 
1 1 1    3    9   45 f  373.446   4.8527 21320.64  553.134 21549.02  764.441 21069.67  801.364  375.148   6.6761  370.876   7.0792 4.272003 9.730649 
1 1 1    3    9   46 o   24.049   5.0537   91.765   35.917   80.402   52.928  101.464   48.899   22.876   6.9594   25.257   6.3499 -2.381086 9.420997 
1 1 1    3    9   47 o  246.970   2.9318  9314.52  221.005  9558.45  361.641  9169.12  279.209  250.052   4.7384  244.985   3.7340 5.066223 6.032826 
1 1 1    3    9   48 o  201.693   4.1558  6216.69  255.839  6308.15  348.050  6109.19  377.344  203.058   5.6157  199.777   6.1883 3.280701 8.356529 
1 1 1    3    9   49 o  111.452   3.3480  1897.40  113.892  1744.58  155.627  2073.63  167.120  106.819   4.7733  116.461   4.7015 -9.641907 6.699877 
1 1 1    3    9   50 o  320.056   4.6320 15661.93  452.496 15441.11  907.202 15735.07  522.075  316.883   9.3797  320.706   5.3335 -3.823273 10.79001 
1 1 1    3    9   51 o  115.500   2.5103  2037.08   88.495  2093.64  142.424  2001.50  112.943  117.041   3.9868  114.466   3.2327 2.575592 5.132753 
1 1 1    3    9   52 o   77.633   3.6343  920.981   86.115  931.642  135.531  913.763  111.521   77.794   5.7486   77.146   4.7594 0.6478653 7.463130 
1 1 1    3    9   53 o   73.209   3.1738  818.831   70.919  925.227  134.483  777.844   83.469   77.516   5.7246   71.232   3.8535 6.284660 6.900718 
1 1 1    3    9   54 o   93.002   4.7203  1326.86  133.553  1346.53  141.664  1169.72  400.441   93.664   4.9731   84.980   16.026 8.683823 16.78008 
1 1 1    3    9   55 o  137.090   4.5348  2875.89  189.749  2967.50  353.505  2838.81  224.893  138.557   8.3986  136.126   5.4128 2.430862 9.991714 
1 1 1    3    9   56 o  230.567   3.5339  8127.91  248.694  8453.96  345.957  7779.24  357.753  234.960   4.8240  225.327   5.2018 9.633621 7.094357 
1 1 1    3    9   57 o  159.201   2.6765  3872.53  130.056  3934.56  186.618  3813.95  181.347  160.372   3.8125  157.900   3.7628 2.472351 5.356660 
1 1 1    3    9   58 o   28.731   4.0357  128.825   34.414  117.413   45.971  143.373   51.905   27.147   5.7282   30.042   5.8711 -2.895245 8.202552 
1 1 1    3    9   59 o   50.760   4.6577  398.370   71.357  334.160  127.556  427.616   86.087   45.532   9.4863   52.484   5.4536 -6.952385 10.94214 
1 1 1    3    9   60 o  169.142   4.9080  4392.60  253.383  4347.40  283.510  4572.05  564.832  168.134   5.5245  170.221   10.929 -2.087006 12.24619 
1 1 1    3    9   61 o   72.913   6.1791  825.796  136.221  792.173  151.964  963.312  307.325   71.205   7.0864   76.463   13.670 -5.258636 15.39758 
1 1 1    3    9   62 o  111.348   2.7401  1896.60   93.126  1798.79  141.446  1971.43  123.725  108.255   4.2808  113.429   3.5737 -5.174660 5.576426 
1 1 1    3   10    1 o  726.668   43.882 83329.15  9687.22   0.0000   0.0000 83329.15  9687.22  ?   ?   726.668   43.882 0.000000 43.88219 
1 1 1    3   10    2 o  366.013   22.710 20687.10  2524.48   0.0000   0.0000 20687.10  2524.48  ?   ?   366.013   22.710 0.000000 22.70955 
1 1 1    3   10    3 o  166.238   8.9001  4234.63  449.952  4699.81  639.646  3778.98  633.060  174.879   12.057  156.577   13.375 18.30164 18.00723 
1 1 1    3   10    4 o  500.067   21.116 38419.34  3222.94 39392.68  4557.51 37445.64  4558.34  503.864   29.767  490.993   30.568 12.87094 42.66714 
1 1 1    3   10    7 o  457.241   12.571 31977.29  1754.39   0.0000   0.0000 31977.29  1754.39  ?   ?   457.241   12.571 0.000000 12.57080 
1 1 1    3   10    8 o  660.068   39.676 68156.94  7956.27   0.0000   0.0000 68156.94  7956.27  ?   ?   660.068   39.676 0.000000 39.67575 
1 1 1    3   10    9 o  601.207   14.715 55321.28  2700.24 55495.83  2972.30 54496.61  6460.61  601.973   16.177  591.439   35.959 10.53381 39.43061 
1 1 1    3   10   10 o  905.411   37.536 127424.40 10373.26 135310.20 14670.73 119540.10 14669.29  923.859   52.241  865.909   55.801 57.94977 76.43841 
1 1 1    3   10   11 o  638.328   13.825 62336.41  2693.55 64676.16  3213.74 56812.13  4938.13  649.900   16.201  607.372   26.637 42.52887 31.17734 
1 1 1    3   10   12 o  441.880   18.738 29931.33  2527.27 32789.38  3574.60 27074.88  3573.61  460.938   25.507  418.184   28.162 42.75391 37.99598 
1 1 1    3   10   13 o  460.414   11.347 32403.09  1594.60 32640.07  1754.97 31281.36  3818.26  462.019   12.445  449.693   27.957 12.32535 30.60162 
1 1 1    3   10   14 o  234.878   4.7317  8421.58  339.214  8135.61  503.396  8659.43  459.099  230.814   7.1455  238.145   6.3161 -7.331482 9.536800 
1 1 1    3   10   15 o  522.573   10.087 41729.18  1608.91 39746.55  2746.80 42764.67  1985.09  509.329   17.669  528.851   12.298 -19.52145 21.52742 
1 1 1    3   10   16 o  129.389   3.2785  2555.31  129.477  2326.53  184.432  2777.63  181.812  123.451   4.8947  134.893   4.4159 -11.44214 6.592265 
1 1 1    3   10   17 o  844.140   14.262 109037.70  3674.73 109259.00  3847.02 106731.50 12418.35  844.891   14.918  821.654   49.752 23.23676 51.94035 
1 1 1    3   10   18 o  345.657   6.8740 18245.43  725.226 18793.09  1026.31 17699.23  1024.94  350.701   9.5879  340.329   9.8669 10.37177 13.75807 
1 1 1    3   10   19 o  825.896   20.067 104674.50  5058.44 104838.30  5569.33 103902.20 12090.15  826.060   22.089  810.427   49.108 15.63287 53.84748 
1 1 1    3   10   20 o  167.857   3.8200  4300.84  195.711  4267.76  301.989  4324.80  256.980  167.186   5.9180  168.311   5.0023 -1.125534 7.748923 
1 1 1    3   10   21 o  645.953   9.6009 63762.94  1892.91 64750.30  3392.94 63316.75  2280.86  649.994   17.102  643.490   11.613 6.503479 20.67227 
1 1 1    3   10   22 o  1019.23   17.214 159236.20  5355.09 174951.50 13350.44 156222.91  5845.99  1057.32   41.369  1009.06   18.981 48.25641 45.51549 
1 1 1    3   10   23 o  289.751   5.5786 12818.68  493.364 11723.13  729.263 13743.26  669.949  277.001   8.6255  299.967   7.3173 -22.96613 11.31117 
1 1 1    3   10   24 f  182.103   3.8291  5062.02  212.828  4820.53  291.484  5337.77  311.479  177.687   5.3745  186.975   5.4579 -9.288620 7.659941 
1 1 1    3   10   25 o  184.974   5.0307  5223.80  284.024  5107.07  303.280  6056.42  810.005  182.889   5.4330  198.467   13.451 -15.57765 14.50677 
1 1 1    3   10   26 o  421.700   8.1217 27169.74  1045.36 23845.97  1414.11 31174.57  1552.25  394.823   11.735  451.476   11.264 -56.65369 16.26611 
1 1 1    3   10   27 o  165.042   4.1945  4158.28  211.295   0.0000   0.0000  4158.28  211.295  ?   ?   165.042   4.1945 0.000000 4.194481 
1 1 1    3   10   28 o  609.477   9.4026 56789.16  1749.13 62536.80  3030.48 53917.91  2141.91  638.606   15.548  593.568   11.823 45.03815 19.53204 
1 1 1    3   10   29 o  396.294   6.9158 23992.88  836.519 25166.83  1184.05 22823.00  1181.99  405.678   9.5625  386.287   10.025 19.39099 13.85432 
1 1 1    3   10   30 o  156.119   2.7522  3720.33  131.143  3695.34  184.905  3745.62  186.029  155.579   3.8939  156.633   3.8911 -1.054749 5.504836 
1 1 1    3   10   31 o  133.092   2.4230  2703.74   98.427  2796.43  127.908  2569.16  154.122  135.346   3.0962  129.719   3.8926 5.627029 4.973851 
1 1 1    3   10   32 o  492.737   6.7441 37110.69  1014.28 38292.86  1242.19 34745.88  1756.90  500.346   8.1339  475.954   12.094 24.39157 14.57469 
1 1 1    3   10   33 o  320.559   9.1174 15733.79  892.066 15676.83  1147.88 15820.65  1417.50  319.628   11.766  320.640   14.484 -1.011566 18.66084 
1 1 1    3   10   34 o  364.760   6.8340 20347.33  760.850 20458.63  1250.05 20281.83  958.931  365.112   11.217  363.947   8.6324 1.165741 14.15431 
1 1 1    3   10   35 o  295.123   5.5149 13311.89  496.769 12727.41  771.233 13726.34  649.437  288.243   8.7662  299.534   7.1035 -11.29126 11.28297 
1 1 1    3   10   36 o  125.044   3.5075  2387.76  133.869  2750.49  549.555  2364.88  138.027  132.904   13.746  124.440   3.6340 8.463432 14.21835 
1 1 1    3   10   37 f   66.743   3.1637  680.204   64.450  641.573  400.935  681.229   65.299   63.807   19.097   66.793   3.2030 -2.985332 19.36398 
1 1 1    3   10   38 o   32.305   4.0703  161.940   39.242  183.836   55.357  139.822   55.638   34.252   5.4798   29.671   6.3362 4.580799 8.377048 
1 1 1    3   10   39 o  417.079   6.9077 26626.27  879.368 28776.16  1936.67 26067.90  986.978  431.343   14.710  412.508   7.8390 18.83536 16.66844 
1 1 1    3   10   40 o  180.715   3.3659  4987.69  185.659  4899.44  307.388  5038.38  232.949  178.991   5.6265  181.594   4.2028 -2.603119 7.022930 
1 1 1    3   10   41 o   15.002   4.9041   32.984   25.851   42.059   34.635   21.568   38.845   17.074   5.6811   15.126   5.8739 1.947928 8.171738 
1 1 1    3   10   42 o  247.757   3.1827  9374.55  240.680  8705.07  368.436  9872.90  317.879  238.615   5.0588  254.197   4.0971 -15.58176 6.509801 
1 1 1    3   10   43 o  220.485   2.9657  7423.78  199.586  7268.15  306.823  7537.94  262.781  218.062   4.6099  222.123   3.8760 -4.060883 6.022812 
1 1 1    3   10   44 o  399.012   4.9697 24342.10  605.245 23431.51  929.914 25011.36  797.217  390.954   7.7929  404.204   6.4619 -13.24954 10.12350 
1 1 1    3   10   45 o  219.107   3.8235  7334.63  255.702  7425.49  429.895  7284.89  318.087  220.243   6.3950  218.296   4.7740 1.946594 7.980464 
1 1 1    3   10   46 o  187.001   3.1353  5340.76  178.955  5725.84  287.819  5098.07  228.491  193.523   4.8727  182.655   4.0985 10.86829 6.367141 
1 1 1    3   10   47 o  249.491   3.3338  9507.66  253.869  9397.39  397.549  9583.59  329.892  247.880   5.2545  250.411   4.3162 -2.531509 6.799964 
1 1 1    3   10   48 o  393.266   6.1392 23675.12  736.912 25130.71  2918.83 23576.02  761.583  395.755   24.281  392.398   6.3588 3.357483 25.09994 
1 1 1    3   10   49 o  264.140   4.3835 10665.22  353.404 11526.27  631.111 10271.89  426.552  274.153   7.5422  259.113   5.3934 15.03955 9.272171 
1 1 1    3   10   50 o  324.400   6.1485 16115.57  608.786 20072.24  2120.16 15760.03  635.550  355.994   19.588  320.738   6.4921 35.25632 20.63549 
1 1 1    3   10   51 o  322.363   3.8576 15882.25  379.557 16324.54  502.533 15294.86  579.131  326.653   5.0404  316.019   6.0041 10.63425 7.839272 
1 1 1    3   10   52 f  304.624   4.7214 14195.26  438.988 15221.42  688.199 13491.29  570.013  314.960   7.1588  296.703   6.2943 18.25735 9.532407 
1 1 1    3   10   53 o  211.506   3.2597  6835.46  210.434  6893.13  293.098  6774.11  302.314  212.275   4.5237  210.414   4.7072 1.861252 6.528558 
1 1 1    3   10   54 o  286.510   4.4770 12559.63  391.512 12770.93  477.328 12125.24  684.398  288.739   5.4162  280.730   7.9874 8.009186 9.650555 
1 1 1    3   10   55 o  123.774   5.1188  2346.73  193.380  2579.37  652.840  2324.36  202.466  126.291   17.398  123.158   5.3861 3.132324 18.21279 
1 1 1    3   10   56 o  216.026   3.5884  7136.67  236.608  7573.29  381.976  6864.85  301.392  222.201   5.6321  211.722   4.6639 10.47935 7.312509 
1 1 1    3   10   57 o   60.898   3.0344  566.926   56.402  640.936   96.209  528.170   69.621   64.477   4.9260   58.617   3.9138 5.859444 6.291543 
1 1 1    3   10   58 o  178.303   2.9025  4860.43  157.961  5188.38  226.856  4551.78  220.079  184.067   4.0379  172.383   4.1828 11.68326 5.813822 
1 1 1    3   10   59 o  116.869   2.5513  2087.70   91.008  2386.14  139.984  1869.21  119.775  124.838   3.6738  110.503   3.5512 14.33485 5.109561 
1 1 1    3   10   60 o  175.047   4.1723  4698.48  222.920  5572.04  337.845  4024.89  296.667  190.201   5.8195  161.602   6.0146 28.59901 8.369118 
1 1 1    3   10   61 o   55.232   5.0791  473.072   84.664  799.528  627.984  467.029   85.444   67.924   24.125   54.860   5.1635 13.06324 24.67173 
1 1 1    3   11    0 o  500.156   30.378 38823.07  4598.36 38823.07  4598.36 38823.07  4598.36  500.156   30.378  500.156   30.378 0.000000 0.000000 
1 1 1    3   11    1 o  946.484   57.535 143262.91 16542.37   0.0000   0.0000 143262.91 16542.37  ?   ?   946.484   57.535 0.000000 57.53509 
1 1 1    3   11    2 o  1053.65   64.626 179491.59 20683.26   0.0000   0.0000 179491.59 20683.26  ?   ?   1053.65   64.626 0.000000 64.62625 
1 1 1    3   11    5 o  827.005   49.862 108145.40 12527.42   0.0000   0.0000 108145.40 12527.42  ?   ?   827.005   49.862 0.000000 49.86226 
1 1 1    3   11    6 o  1205.78   50.681 229296.00 18652.34 228913.09 26377.95 229679.00 26378.82  1182.12   73.471  1184.24   73.340 -2.122803 103.8109 
1 1 1    3   11    7 o  806.500   48.550 102614.60 11895.39 102614.60 11895.39   0.0000   0.0000  806.500   48.550  ?   ?  0.000000 48.54965 
1 1 1    3   11    8 o  819.683   19.422 103031.00  4859.22 104786.70  5349.75 94752.88 11616.53  826.255   21.213  774.547   49.395 51.70801 53.75719 
1 1 1    3   11    9 o  516.829   12.590 40846.34  1986.05 41242.64  2186.02 38972.69  4753.16  519.226   13.794  501.320   31.218 17.90546 34.12993 
1 1 1    3   11   10 o  774.558   26.149 92349.48  6182.01 89142.51 10706.72 93953.34  7571.68  752.569   46.844  779.651   31.818 -27.08221 56.62806 
1 1 1    3   11   11 o  651.819   15.321 65033.01  3048.03 62484.66  3636.75 71048.92  5587.73  638.462   18.662  679.189   26.954 -40.72754 32.78428 
1 1 1    3   11   12 o  1014.68   22.624 158150.80  7006.56 158599.59  8362.46 157093.59 12835.17  1014.72   27.001  1003.39   41.910 11.33051 49.85446 
1 1 1    3   11   13 f  747.981   44.959 87900.66 10216.53 87900.66 10216.53   0.0000   0.0000  747.981   44.959  ?   ?  0.000000 44.95908 
1 1 1    3   11   14 o  153.733   3.5942  3607.41  168.652  4002.62  250.550  3279.97  228.053  161.922   5.0696  146.577   5.0974 15.34435 7.189183 
1 1 1    3   11   15 o  394.327   10.030 23762.12  1207.16 23701.23  1328.32 24050.95  2893.03  393.765   11.052  394.725   24.129 -0.9603882 26.53941 
1 1 1    3   11   16 o  173.127   9.2891  4592.75  489.066  4472.60  694.676  4710.82  688.652  170.454   13.462  175.013   12.984 -4.558472 18.70337 
1 1 1    3   11   17 o  471.112   11.902 33938.57  1711.37 35604.09  4101.25 33587.42  1883.16  479.566   28.142  468.565   13.167 11.00131 31.07030 
1 1 1    3   11   18 o  410.413   6.3738 25720.57  798.428 26871.36  1430.78 25200.15  962.175  419.241   11.181  406.182   7.7610 13.05856 13.61080 
1 1 1    3   11   19 o  480.956   8.0937 35335.68  1188.15 36133.31  1752.12 34656.62  1616.64  486.092   11.809  476.110   11.125 9.981873 16.22413 
1 1 1    3   11   20 o  852.779   14.687 111342.10  3822.72 105898.20  5638.58 115972.60  5200.27  829.939   22.259  869.239   19.601 -39.29932 29.65889 
1 1 1    3   11   21 o  472.771   12.207 34188.50  1761.43 33139.61  2788.62 34884.80  2272.07  464.618   19.664  477.217   15.599 -12.59872 25.09983 
1 1 1    3   11   22 o  480.680   7.3482 35291.30  1078.09 32533.24  1756.61 36957.95  1365.52  461.146   12.480  491.788   9.0971 -30.64175 15.44383 
1 1 1    3   11   23 o  548.538   11.737 46022.50  1965.12 45448.96  2105.81 49889.84  5468.18  545.010   12.659  566.296   31.764 -21.28528 34.19385 
1 1 1    3   11   24 o  108.657   2.8880  1802.04   95.779  1800.23  116.736  1805.75  167.540  108.599   3.5218  108.753   5.0473 -0.1542435 6.154544 
1 1 1    3   11   25 o  353.674   6.1180 19102.25  660.436 19677.73  1656.65 18993.50  720.136  358.348   15.146  352.643   6.6906 5.704590 16.55824 
1 1 1    3   11   26 o  424.050   8.8328 27483.45  1143.23 25723.82  3178.51 27744.91  1225.23  407.202   25.706  426.018   9.4226 -18.81641 27.37839 
1 1 1    3   11   27 o  695.260   14.579 74100.01  3093.88 74745.84  3955.71 73082.51  4965.19  697.315   18.586  687.980   23.645 9.334656 30.07529 
1 1 1    3   11   28 o  326.947   6.6754 16330.42  666.154   0.0000   0.0000 16330.42  666.154  ?   ?   326.947   6.6754 0.000000 6.675443 
1 1 1    3   11   29 o  532.778   9.0842 43416.09  1477.23 46098.50  2178.52 41132.85  2009.90  548.346   13.016  518.026   12.712 30.31995 18.19382 
1 1 1    3   11   30 o  424.321   13.064 27624.72  1691.99 29111.74  2393.58 26139.54  2392.10  434.540   18.047  411.524   19.044 23.01624 26.23694 
1 1 1    3   11   31 o  462.963   7.5085 32776.68  1061.01 33649.38  1278.10 30842.00  1902.99  468.888   8.9306  447.983   13.917 20.90518 16.53627 
1 1 1    3   11   32 o  173.395   2.9390  4590.02  155.542  4959.00  197.155  3981.78  253.128  180.214   3.5843  161.439   5.1371 18.77481 6.263892 
1 1 1    3   11   33 o  249.019   3.9722  9470.38  301.909  9063.52  386.737 10105.23  483.088  243.548   5.2025  257.099   6.1561 -13.55139 8.060043 
1 1 1    3   11   34 o  425.807   6.6098 27730.85  859.054 26283.96  3367.45 27831.57  888.450  406.668   27.288  426.549   6.8241 -19.88132 28.12818 
1 1 1    3   11   35 o  159.256   3.8263  3873.61  185.988  3703.30  285.937  3998.52  244.868  155.626   6.0197  161.760   4.9596 -6.134277 7.799584 
1 1 1    3   11   36 o  440.954   4.6522 29710.14  626.135 29287.35  956.003 30027.74  828.581  437.441   7.1602  443.107   6.1265 -5.666046 9.423452 
1 1 1    3   11   37 o  224.547   3.0504  7699.13  209.067  7515.73  364.776  7788.85  255.128  221.726   5.3901  225.822   3.7015 -4.095932 6.538628 
1 1 1    3   11   38 o  382.099   4.6074 22310.89  537.339 21861.54  692.660 22989.99  851.533  378.056   6.0027  387.499   7.1997 -9.442719 9.373796 
1 1 1    3   11   39 o  156.920   3.4588  3760.86  165.661  3747.87  178.796  3839.66  440.351  156.638   3.7397  157.918   9.1754 -1.279327 9.908304 
1 1 1    3   11   40 o  126.906   4.0250  2460.57  155.906  2382.54  174.343  2772.05  348.332  124.857   4.5748  134.168   8.5506 -9.310684 9.697527 
1 1 1    3   11   41 o  203.317   3.8753  6315.42  240.488  6153.76  278.535  6788.89  476.668  200.657   4.5479  210.499   7.4190 -9.842026 8.702033 
1 1 1    3   11   42 o  351.673   5.3021 18913.09  569.116 20241.03  875.162 17940.02  749.152  363.353   7.8912  342.213   7.1723 21.14014 10.66359 
1 1 1    3   11   43 o  139.360   3.0487  2965.98  129.680  3142.77  204.902  2847.86  167.494  143.386   4.6819  136.522   4.0196 6.863739 6.170666 
1 1 1    3   11   44 o  200.919   3.3262  6165.88  203.979  6270.24  258.730  5994.48  331.576  202.563   4.1847  197.964   5.4876 4.598846 6.901121 
1 1 1    3   11   45 o   76.188   2.1747  886.179   50.572  876.851   87.163  890.912   62.091   75.759   3.7695   76.385   2.6632 -0.6258926 4.615376 
1 1 1    3   11   46 f  195.254   3.4752  5823.68  207.109  5827.71  530.032  5822.96  224.997  194.807   8.9142  195.225   3.7759 -0.4181671 9.680916 
1 1 1    3   11   47 o   94.927   5.3802  1382.86  155.246  1363.61  170.880  1473.86  371.518   94.201   5.9741   96.802   12.895 -2.600533 14.21159 
1 1 1    3   11   48 o  172.531   4.0652  4549.23  214.074  4809.63  329.038  4358.11  281.894  177.245   6.0821  168.771   5.4723 8.473816 8.181571 
1 1 1    3   11   49 o  245.311   4.6581  9201.89  348.769  9192.97  883.098  9203.54  379.630  243.877   11.864  245.288   5.0707 -1.410950 12.90193 
1 1 1    3   11   50 o  164.675   3.2149  4142.66  161.589  3998.60  198.196  4428.27  279.063  161.741   4.0147  170.103   5.3749 -8.362503 6.708797 
1 1 1    3   11   51 o   80.753   2.7493  995.977   67.765  1016.84   85.091  959.808  112.046   81.577   3.4174   79.077   4.6628 2.499176 5.781085 
1 1 1    3   11   52 o   74.121   2.9648  839.270   67.075  831.727   79.587  857.764  124.614   73.771   3.5346   74.640   5.5088 -0.8684158 6.545284 
1 1 1    3   11   53 o   75.670   3.8743  877.779   89.182  1124.26  142.768  720.063  114.204   85.492   5.5004   68.338   5.5224 17.15417 7.794351 
1 1 1    3   11   54 o   41.810   8.7069  279.432  107.502  273.865  112.189  341.916  375.844   41.330   9.1364   50.642   18.573 -9.312077 20.69865 
1 1 1    3   11   55 o  117.931   2.8788  2125.24  103.623  2235.36  144.335  2008.09  148.860  120.882   3.9119  114.547   4.2577 6.335136 5.781995 
1 1 1    3   11   56 o  173.946   2.7402  4623.75  145.484  4849.14  226.630  4465.76  189.740  177.979   4.1719  170.862   3.6383 7.117340 5.535499 
1 1 1    3   11   57 o  175.155   4.7758  4703.81  255.319  4931.33  484.918  4616.54  300.318  178.319   8.9095  173.357   5.6757 4.961853 10.56378 
1 1 1    3   11   58 o   75.709   2.5534  876.070   59.004  943.193   91.428  828.161   77.242   78.482   3.8168   73.564   3.4401 4.917923 5.138312 
1 1 1    3   11   59 o   55.717   4.2333  478.728   71.453  985.242  751.604  474.108   71.778   74.798   26.412   55.440   4.2748 19.35783 26.75559 
1 1 1    3   11   60 o  159.606   4.8881  3915.20  238.124  5502.45  973.180  3814.11  245.589  180.881   17.860  157.481   5.1093 23.40060 18.57686 
1 1 1    3   12    6 o  486.703   29.506 36683.09  4362.57   0.0000   0.0000 36683.09  4362.57  ?   ?   486.703   29.506 0.000000 29.50645 
1 1 1    3   12    7 o  232.243   11.063  8244.33  784.208  8392.68  1105.58  8094.11  1112.53  233.627   15.594  229.370   15.991 4.257156 22.33584 
1 1 1    3   12    8 o  1269.04   79.534 266641.91 30651.22 266641.91 30651.22   0.0000   0.0000  1269.04   79.534  ?   ?  0.000000 79.53433 
1 1 1    3   12    9 o  367.842   9.0073 20671.35  1011.29 21323.21  1112.09 17556.69  2430.91  373.563   9.7535  337.118   23.777 36.44504 25.69998 
1 1 1    3   12   10 o  896.555   54.274 127846.40 14782.11 127846.40 14782.11   0.0000   0.0000  896.555   54.274  ?   ?  0.000000 54.27419 
1 1 1    3   12   11 o  363.904   7.7575 20226.04  861.640 22409.36  1026.03 15002.39  1587.04  382.999   8.7770  312.512   16.699 70.48718 18.86473 
1 1 1    3   12   12 o  585.078   19.896 52522.46  3553.02 50824.97  6154.33 53371.09  4351.44  571.183   35.476  589.031   24.204 -17.84723 42.94635 
1 1 1    3   12   13 o  663.180   27.587 67825.20  5584.19 62950.24  7896.65 72701.62  7897.83  633.686   41.048  682.410   38.070 -48.72430 55.98435 
1 1 1    3   12   14 o  437.203   8.4717 29200.53  1130.49 30932.32  1599.13 27470.33  1598.39  449.779   11.648  423.812   12.356 25.96707 16.98140 
1 1 1    3   12   15 o  404.390   10.200 24993.89  1258.98 25017.02  1385.32 24884.15  3017.44  404.514   11.220  401.301   24.756 3.212555 27.17977 
1 1 1    3   12   16 o  319.659   11.486 15624.17  1120.70 15235.57  1944.06 15817.58  1371.54  314.365   20.371  321.483   13.978 -7.118439 24.70493 
1 1 1    3   12   17 f  177.140   3.9007  4789.80  210.899  4661.28  303.310  4910.09  293.446  174.725   5.6874  179.332   5.3611 -4.607285 7.815879 
1 1 1    3   12   18 o  838.847   19.189 107988.50  4913.02 116099.50  9006.91 104553.00  5861.88  864.585   34.131  824.307   23.299 40.27765 41.32510 
1 1 1    3   12   19 o  241.513   4.8645  8904.86  358.591  9657.92  535.924  8294.42  482.517  251.469   6.9824  233.047   6.7835 18.42123 9.734932 
1 1 1    3   12   20 o  409.298   7.6059 25589.70  950.181 29709.94  2290.79 24733.53  1044.25  440.205   17.050  402.346   8.5033 37.85913 19.05238 
1 1 1    3   12   21 o  222.935   4.3766  7587.16  297.806  7602.73  326.121  7509.03  730.699  223.157   4.7880  221.607   10.803 1.549332 11.81633 
1 1 1    3   12   22 o  223.428   4.9038  7621.48  334.418  7961.19  409.889  6945.16  578.350  228.333   5.8814  213.185   8.8883 15.14786 10.65798 
1 1 1    3   12   23 o  466.153   5.6411 33181.16  802.616 32742.91  1232.95 33503.44  1057.32  462.881   8.7269  468.316   7.3969 -5.434540 11.43998 
1 1 1    3   12   24 o  214.322   4.0870  7012.30  267.354  7253.56  391.897  6802.27  365.657  217.941   5.8914  211.057   5.6762 6.883484 8.180909 
1 1 1    3   12   25 o  628.152   10.499 60353.49  2012.99 61142.41  5023.44 60202.57  2197.11  628.537   26.185  627.228   11.476 1.308960 28.58960 
1 1 1    3   12   26 o  308.064   5.6473 14493.87  531.007 15863.26  1336.32 14237.10  578.652  321.728   13.608  305.300   6.2097 16.42776 14.95823 
1 1 1    3   12   27 o  264.552   3.7826 10684.90  305.431 11064.41  542.646 10508.91  369.523  269.108   6.6065  262.341   4.6149 6.766968 8.058724 
1 1 1    3   12   28 o  306.619   6.1311 14363.78  573.797 14603.13  812.937 14126.14  810.013  308.996   8.6196  303.899   8.7326 5.097168 12.27016 
1 1 1    3   12   29 o  231.460   4.9094  8182.67  346.831  8121.24  364.342  8775.97  1132.38  230.579   5.1769  238.311   15.655 -7.731384 16.48878 
1 1 1    3   12   30 o  254.576   7.0497  9909.66  547.778  9909.66  547.778   0.0000   0.0000  254.576   7.0497  ?   ?  0.000000 7.049680 
1 1 1    3   12   31 o  152.884   3.6658  3569.17  171.059  3741.61  476.520  3543.66  183.275  155.915   10.067  152.330   3.9419 3.584991 10.81129 
1 1 1    3   12   32 o  520.178   8.2933 41430.81  1316.73 39591.38  1667.76 44475.03  2145.50  507.928   10.758  537.636   13.074 -29.70728 16.93122 
1 1 1    3   12   33 o  621.943   27.030 61259.98  5131.07   0.0000   0.0000 61259.98  5131.07  ?   ?   621.943   27.030 0.000000 27.02963 
1 1 1    3   12   34 o  124.892   2.5318  2381.25   96.511  2013.21  183.788  2521.39  113.405  114.769   5.2466  128.507   2.8913 -13.73797 5.990480 
1 1 1    3   12   35 f  320.023   4.8594 15650.98  474.662 15998.39  1399.17 15605.79  504.586  321.898   14.241  319.532   5.1737 2.366058 15.15150 
1 1 1    3   12   36 o  135.499   2.5287  2803.03  104.581  2844.73  125.441  2707.98  189.384  136.492   3.0110  133.120   4.6611 3.372131 5.549034 
1 1 1    3   12   37 o  287.617   3.6707 12635.44  322.242 13004.86  495.424 12364.55  424.247  291.628   5.5658  284.423   4.8869 7.205536 7.406803 
1 1 1    3   12   38 o   59.142   2.9236  534.114   52.776  520.730   66.370  557.129   87.034   58.265   3.7520   60.186   4.7771 -1.920540 6.074362 
1 1 1    3   12   39 o  432.904   5.6289 28663.73  743.763 28773.56  1052.59 28554.21  1051.09  433.254   7.9597  431.595   7.9790 1.659241 11.27039 
1 1 1    3   12   40 o  131.736   2.4847  2649.67   99.908  2686.05  120.869  2571.21  177.514  132.624   2.9859  129.706   4.4839 2.918823 5.387131 
1 1 1    3   12   41 o   49.192   2.8652  370.776   42.833  419.560   69.544  340.960   54.369   52.210   4.4052   47.087   3.8158 5.122810 5.827999 
1 1 1    3   12   42 o  152.155   2.7337  3535.12  126.958  3561.51  223.730  3522.59  154.187  152.632   4.8025  151.864   3.3264 0.7673645 5.841960 
1 1 1    3   12   43 o  264.509   3.6560 10688.42  295.163 10100.33  425.694 11232.92  409.617  256.972   5.4275  271.048   4.9513 -14.07608 7.346571 
1 1 1    3   12   44 o  153.793   2.4966  3611.35  117.195  3622.67  175.553  3602.24  157.405  153.988   3.7351  153.569   3.3581 0.4189911 5.022772 
1 1 1    3   12   45 o  234.473   4.0330  8401.01  288.628  8690.47  365.059  7918.36  471.390  238.394   5.0171  227.370   6.7925 11.02461 8.444483 
1 1 1    3   12   46 o   76.973   3.4096  905.060   80.105  958.453  530.030  903.812   81.036   76.697   21.679   76.919   3.4516 -0.2218857 21.95198 
1 1 1    3   12   47 o  161.363   3.4722  3977.80  171.013  4411.95  286.777  3738.22  213.036  169.805   5.5332  156.375   4.4634 13.43004 7.109073 
1 1 1    3   12   48 o  238.494   4.7659  8698.47  346.932  8993.33  839.969  8637.83  380.943  241.326   11.404  237.609   5.2527 3.717331 12.55519 
1 1 1    3   12   49 f  104.342   3.3806  1663.38  107.664  1668.09  120.297  1644.43  241.351  104.476   3.7724  103.221   7.7164 1.254608 8.589213 
1 1 1    3   12   50 o  163.648   2.8881  4090.61  144.256  3987.15  172.290  4333.25  263.837  161.532   3.4945  168.272   5.1370 -6.739975 6.212874 
1 1 1    3   12   51 o  200.745   4.3121  6163.08  264.213  6341.67  366.141  5969.04  381.647  203.446   5.8963  197.318   6.3369 6.128174 8.655835 
1 1 1    3   12   52 o  306.591   4.7052 14384.81  440.305 15036.08  710.608 13978.95  560.968  312.807   7.4428  301.954   6.0867 10.85257 9.614725 
1 1 1    3   12   53 o  123.552   3.5751  2333.73  134.818  2334.17  144.329  2330.73  377.634  123.548   3.8274  122.297   10.210 1.250549 10.90386 
1 1 1    3   12   54 o  132.736   2.3704  2691.18   96.036  3001.26  157.422  2507.36  121.203  140.089   3.6817  128.083   3.1003 12.00572 4.813144 
1 1 1    3   12   55 f   87.579   2.2126  1171.53   59.144  1316.77   99.766  1092.83   73.440   92.788   3.5227   84.562   2.8454 8.225525 4.528303 
1 1 1    3   12   56 o  189.795   2.7358  5505.58  158.484  6044.72  249.189  5139.38  205.373  198.684   4.1091  183.264   3.6715 15.41997 5.510451 
1 1 1    3   12   57 o  142.406   3.2670  3102.44  142.003  3410.69  247.348  2950.89  173.432  148.991   5.4391  138.787   4.0941 10.20380 6.807813 
1 1 1    3   12   58 o  164.534   4.3513  4151.77  218.520  4077.67  314.770  4220.70  303.600  162.612   6.3420  165.527   6.0092 -2.914871 8.736761 
1 1 1    3   12   59 o  131.608   4.8405  2661.36  194.442  2698.76  236.186  2582.71  342.529  132.323   5.8479  128.370   8.7951 3.952835 10.56183 
1 1 1    3   12   60 o  132.837   3.9888  2706.75  161.724  2693.85  242.077  2717.14  217.342  132.095   6.0041  132.819   5.3613 -0.7242279 8.049404 
1 1 1    3   13    0 o  1295.82   78.837 268971.69 30916.75 268971.69 30916.75 268971.69 30916.75  1295.82   78.837  1295.82   78.837 0.000000 0.000000 
1 1 1    3   13    1 o  613.580   18.211 57708.68  3410.57 90588.49  4830.76 25031.78  4815.83  768.282   20.600  398.878   40.099 369.4045 45.08154 
1 1 1    3   13    2 o  379.740   23.445 22250.61  2704.10 22250.61  2704.10   0.0000   0.0000  379.740   23.445  ?   ?  0.000000 23.44496 
1 1 1    3   13    3 f  822.654   34.162 104893.30  8577.81 97677.18 12130.60 112110.00 12131.11  785.061   50.899  843.350   47.319 -58.28906 69.49653 
1 1 1    3   13    4 o  620.504   37.289 60059.22  7029.47 60059.22  7029.47   0.0000   0.0000  620.504   37.289  ?   ?  0.000000 37.28906 
1 1 1    3   13    8 o  477.915   11.019 34915.54  1607.39 36947.16  1768.56 25268.29  3853.90  491.563   11.788  402.942   31.589 88.62076 33.71646 
1 1 1    3   13    9 o  1009.20   61.803 164259.09 18945.64 164259.09 18945.64   0.0000   0.0000  1009.20   61.803  ?   ?  0.000000 61.80321 
1 1 1    3   13   10 o  495.296   13.552 37535.82  2048.66 37535.82  2048.66   0.0000   0.0000  495.296   13.552  ?   ?  0.000000 13.55151 
1 1 1    3   13   11 o  145.482   4.9671  3231.19  220.560  3108.89  239.227  3924.37  569.538  142.697   5.4926  159.769   11.762 -17.07198 12.98120 
1 1 1    3   13   12 o  299.134   13.464 13691.94  1229.26 14167.78  1736.70 13214.19  1740.17  303.327   18.852  292.794   19.585 10.53348 27.18384 
1 1 1    3   13   13 o  192.712   5.6696  5670.35  333.486  5692.84  364.540  5554.97  825.717  193.085   6.1856  189.961   14.347 3.124054 15.62376 
1 1 1    3   13   14 o  279.271   7.6208 11912.91  649.596 11732.47  714.113 12778.31  1563.91  277.120   8.4427  288.124   17.872 -11.00400 19.76543 
1 1 1    3   13   15 o  425.571   17.890 27775.16  2323.76 30289.43  3289.84 25271.72  3282.75  442.826   24.435  403.861   26.783 38.96518 36.25455 
1 1 1    3   13   16 o  109.412   11.650  1851.41  383.059   0.0000   0.0000  1851.41  383.059  ?   ?   109.412   11.650 0.000000 11.64970 
1 1 1    3   13   17 o  115.422   11.727  2058.50  407.394   0.0000   0.0000  2058.50  407.394  ?   ?   115.422   11.727 0.000000 11.72685 
1 1 1    3   13   18 o  159.739   9.1686  3912.27  445.152  4976.29  711.131  3226.69  570.824  179.858   13.043  144.620   13.073 35.23798 18.46659 
1 1 1    3   13   19 o  356.623   6.5675 19423.16  714.874 19328.84  786.650 19870.40  1712.99  355.728   7.2451  360.104   15.585 -4.375946 17.18680 
1 1 1    3   13   20 o  684.009   10.936 71550.66  2283.07 71575.08  3367.36 71529.90  3105.95  683.289   16.146  683.304   14.892 -0.1458740E-01 21.96542 
1 1 1    3   13   21 o  613.122   9.1111 57456.43  1705.05 60489.90  2161.26 52456.70  2774.66  628.849   11.260  584.995   15.540 43.85345 19.19039 
1 1 1    3   13   22 o  975.719   20.074 146424.09  5978.39 145759.91  6946.13 148322.20 11741.93  972.149   23.410  971.201   39.611 0.9478760 46.01107 
1 1 1    3   13   23 o  205.646   3.5814  6455.73  224.795  6898.69  377.832  6213.02  279.681  212.538   5.8243  201.727   4.5424 10.81065 7.386189 
1 1 1    3   13   24 o  491.112   6.4177 36843.03  961.998 38905.31  1794.32 36011.12  1139.63  504.126   11.661  485.436   7.6916 18.68948 13.96938 
1 1 1    3   13   25 o  667.042   11.484 68132.70  2338.19 67459.79  3448.02 68705.58  3181.45  662.399   17.054  668.895   15.583 -6.496033 23.10142 
1 1 1    3   13   26 o  347.330   5.6666 18427.93  600.738 18711.32  850.352 18145.57  848.794  349.832   7.9638  344.494   8.0724 5.337982 11.33961 
1 1 1    3   13   27 o  372.516   6.6226 21208.30  752.987 22899.57  1545.57 20681.94  862.235  386.269   13.109  367.772   7.6812 18.49707 15.19395 
1 1 1    3   13   28 o  127.984   3.2907  2500.80  128.546  2640.21  177.594  2347.38  186.302  131.482   4.4253  123.965   4.9238 7.516510 6.620203 
1 1 1    3   13   29 o  172.837   3.2296  4560.92  170.376  4568.28  217.382  4549.20  274.331  172.953   4.1179  172.554   5.2087 0.3985291 6.639897 
1 1 1    3   13   30 o  242.583   4.7798  8990.20  353.904  8640.86  502.960  9332.78  498.067  237.683   6.9329  247.042   6.6054 -9.358673 9.575863 
1 1 1    3   13   31 o  195.288   14.697  5915.79  869.590   0.0000   0.0000  5915.79  869.590  ?   ?   195.288   14.697 0.000000 14.69661 
1 1 1    3   13   32 o  378.698   10.659 22019.61  1232.10   0.0000   0.0000 22019.61  1232.10  ?   ?   378.698   10.659 0.000000 10.65943 
1 1 1    3   13   33 o  234.883   10.995  8477.05  788.276  7503.72  1103.56  9491.06  1126.38  219.442   16.599  247.380   14.988 -27.93758 22.36469 
1 1 1    3   13   34 o  116.274   3.2904  2064.57  116.775  2077.43  125.459  1981.15  319.448  116.630   3.5243  113.267   9.3230 3.362900 9.966870 
1 1 1    3   13   35 o  201.489   3.5743  6200.62  219.819  5974.67  274.747  6602.53  366.427  197.735   4.5523  207.783   5.7778 -10.04800 7.355704 
1 1 1    3   13   36 o  190.341   4.2901  5535.73  249.240  5015.73  343.424  6114.43  362.289  181.061   6.2143  199.933   5.9368 -18.87157 8.594344 
1 1 1    3   13   37 o   88.872   3.2695  1206.25   88.687  1259.16  142.069  1172.46  113.524   90.605   5.1586   87.597   4.2460 3.008018 6.681312 
1 1 1    3   13   38 o  149.297   2.9086  3403.71  132.542  3346.81  216.169  3437.99  167.780  147.968   4.7864  150.021   3.6641 -2.052673 6.027896 
1 1 1    3   13   39 o   74.528   2.7888  848.159   63.439  836.541  112.058  853.638   76.960   73.800   5.0043   74.759   3.3728 -0.9584808 6.034778 
1 1 1    3   13   40 o  173.756   2.8832  4610.40  152.907  4752.49  215.331  4465.89  217.167  176.362   4.0002  170.953   4.1620 5.408936 5.772669 
1 1 1    3   13   41 o  345.747   6.1296 18295.85  646.855 19619.76  1003.26 17353.91  846.239  357.397   9.1970  336.339   8.2433 21.05746 12.35052 
1 1 1    3   13   42 o   70.578   2.4767  760.549   53.354  799.321   78.179  726.750   72.994   72.336   3.5409   68.888   3.4829 3.448738 4.966762 
1 1 1    3   13   43 o  290.562   4.4332 12904.28  393.160 12615.81  479.067 13499.37  688.076  287.182   5.4654  296.745   7.5969 -9.563782 9.358595 
1 1 1    3   13   44 o  174.073   4.1653  4630.77  221.304  4349.19  316.421  4900.40  309.632  168.560   6.1503  178.963   5.6685 -10.40361 8.364056 
1 1 1    3   13   45 o   75.316   2.9548  866.322   67.926  1014.41  139.998  820.726   77.683   81.223   5.6829   73.297   3.4723 7.925774 6.659773 
1 1 1    3   13   46 o  208.181   4.3545  6624.98  276.692  6284.23  919.603  6658.90  290.136  200.393   15.147  208.697   4.5548 -8.303574 15.81677 
1 1 1    3   13   47 o  143.985   7.2450  3187.11  317.382  2935.72  426.597  3498.77  474.984  137.665   10.226  150.314   10.417 -12.64845 14.59731 
1 1 1    3   13   48 o  155.752   3.1412  3705.74  149.329  3631.76  176.237  3894.05  281.179  154.158   3.7455  159.476   5.7766 -5.318253 6.884624 
1 1 1    3   13   49 o  221.632   3.2869  7504.96  222.349  7115.33  305.312  7944.98  324.457  215.680   4.6379  227.905   4.6643 -12.22450 6.577645 
1 1 1    3   13   50 o  307.526   3.8376 14457.13  360.211 14380.46  556.915 14512.28  472.307  306.345   5.9561  307.926   5.0253 -1.580688 7.792851 
1 1 1    3   13   51 o  114.332   3.0400  1997.23  106.086  2089.77  138.230  1864.60  165.476  116.909   3.8738  110.368   4.9122 6.540779 6.255862 
1 1 1    3   13   52 o   66.396   5.8174  681.034  116.704  693.237  122.185  554.095  394.069   66.961   6.0435   59.264   19.131 7.696831 20.06328 
1 1 1    3   13   53 o   39.047   3.7807  235.361   44.494  247.201   60.869  221.777   65.202   39.842   5.1242   37.579   5.8772 2.263523 7.797321 
1 1 1    3   13   54 o  127.703   2.3466  2491.17   91.464  2733.37  150.325  2348.80  115.251  133.673   3.6844  123.960   3.0461 9.713478 4.780586 
1 1 1    3   13   55 f   53.985   3.4542  447.631   56.619  374.826  131.558  464.181   62.725   48.378   9.2465   54.946   3.7628 -6.567463 9.982780 
1 1 1    3   13   56 o  116.980   2.6788  2091.78   95.648  3099.56  845.522  2078.72   96.266  134.624   21.285  116.612   2.7047 18.01189 21.45593 
1 1 1    3   13   57 o   36.377   4.2410  205.596   46.204  218.017  106.579  202.721   51.273   36.691   9.4571   36.031   4.7802 0.6604424 10.59659 
1 1 1    3   13   58 o  144.382   4.8683  3203.14  214.539  3904.11  504.575  3048.44  237.032  157.103   10.584  140.717   5.5188 16.38629 11.93670 
1 1 1    3   13   59 o  235.366   5.0481  8523.03  362.650  8336.01  481.356  8768.53  551.499  232.008   6.7974  237.516   7.6074 -5.507111 10.20184 
1 1 1    3   14    0 o  635.184   38.217 62836.15  7347.81 62836.15  7347.81 62836.15  7347.81  635.184   38.217  635.184   38.217 0.000000 0.000000 
1 1 1    3   14    1 o  415.483   17.797 26464.63  2256.89 26335.22  3193.30 26593.77  3190.14  412.722   25.474  414.783   25.320 -2.060303 35.91648 
1 1 1    3   14    2 f  677.240   40.751 71908.76  8384.44 71908.76  8384.44   0.0000   0.0000  677.240   40.751  ?   ?  0.000000 40.75123 
1 1 1    3   14    3 o  343.245   15.154 18039.91  1587.62 19800.97  2243.78 16274.32  2246.68  358.527   20.591  324.553   22.825 33.97403 30.74008 
1 1 1    3   14    4 o  248.074   16.525  9470.35  1244.09  9470.35  1244.09   0.0000   0.0000  248.074   16.525  ?   ?  0.000000 16.52515 
1 1 1    3   14    5 o  921.929   24.766 130873.90  6968.94 130873.90  6968.94   0.0000   0.0000  921.929   24.766  ?   ?  0.000000 24.76580 
1 1 1    3   14   10 o  331.785   20.916 16977.66  2107.24 16977.66  2107.24   0.0000   0.0000  331.785   20.916  ?   ?  0.000000 20.91554 
1 1 1    3   14   11 f  471.552   11.319 34002.25  1629.13 34720.32  1792.91 30601.70  3901.63  476.418   12.330  444.016   28.948 32.40152 31.46403 
1 1 1    3   14   12 o  530.406   13.114 43050.18  2123.06 43081.23  2336.77 42903.33  5081.60  530.446   14.433  525.128   31.855 5.318054 34.97204 
1 1 1    3   14   13 o  503.098   21.028 38899.35  3228.95 42187.63  4568.52 35617.09  4564.33  521.571   28.809  478.363   31.436 43.20828 42.64035 
1 1 1    3   14   14 o  437.351   12.077 29259.89  1612.21   0.0000   0.0000 29259.89  1612.21  ?   ?   437.351   12.077 0.000000 12.07743 
1 1 1    3   14   15 o  312.315   13.864 14933.08  1321.60   0.0000   0.0000 14933.08  1321.60  ?   ?   312.315   13.864 0.000000 13.86404 
1 1 1    3   14   16 o  224.581   6.3706  7702.50  436.689   0.0000   0.0000  7702.50  436.689  ?   ?   224.581   6.3706 0.000000 6.370625 
1 1 1    3   14   17 o  384.145   9.9596 22559.47  1167.76 22301.44  1284.66 23786.86  2801.80  381.868   11.022  392.227   23.512 -10.35938 25.96731 
1 1 1    3   14   18 f  139.307   3.6671  2962.39  155.925  3225.89  221.910  2705.43  219.138  145.356   5.0018  133.110   5.3938 12.24599 7.355991 
1 1 1    3   14   19 o  370.283   8.3774 20952.45  946.800 22014.66  1879.91 20591.45  1095.94  378.854   16.257  366.990   9.7840 11.86392 18.97437 
1 1 1    3   14   20 o  336.079   7.3298 17256.07  751.881 17031.47  856.654 18009.49  1568.97  333.828   8.4075  342.746   14.998 -8.918488 17.19351 
1 1 1    3   14   21 o  368.930   6.0981 20788.63  686.678 20529.57  1722.59 20837.57  748.740  365.829   15.427  369.337   6.6419 -3.507446 16.79621 
1 1 1    3   14   22 o  142.031   4.5071  3080.07  195.388  3258.15  566.185  3055.99  208.177  145.262   12.904  141.470   4.8212 3.792038 13.77557 
1 1 1    3   14   23 f  169.580   3.6556  4390.26  189.212  4875.59  502.482  4310.07  204.246  178.299   9.2652  168.019   3.9827 10.27980 10.08493 
1 1 1    3   14   24 o  137.529   3.2348  2887.44  135.787  2608.30  194.098  3155.01  190.030  130.687   4.8660  143.743   4.3313 -13.05560 6.514443 
1 1 1    3   14   25 f  346.775   6.4754 18377.64  685.382 18378.16  747.234 18374.89  1720.48  346.734   7.0606  345.459   16.317 1.275116 17.77897 
1 1 1    3   14   26 o  155.742   4.9747  3705.10  236.475  3625.33  255.798  4174.09  620.206  154.042   5.4405  164.441   12.449 -10.39891 13.58609 
1 1 1    3   14   27 o  111.799   3.2026  1908.32  109.284  2058.30  156.371  1765.12  152.792  116.087   4.4132  107.497   4.6568 8.589859 6.415787 
1 1 1    3   14   28 o  172.677   2.9433  4552.29  155.126  4608.81  222.228  4498.59  216.643  173.710   4.1914  171.622   4.1357 2.087921 5.888298 
1 1 1    3   14   29 o  246.502   6.2550  9291.30  470.616  9460.22  1234.10  9262.55  509.086  246.776   16.479  246.078   6.7780 0.6977539 17.81866 
1 1 1    3   14   30 o  283.882   5.8060 12320.81  503.069 15070.76  1642.95 12036.31  528.452  311.302   17.360  280.552   6.1713 30.74933 18.42464 
1 1 1    3   14   31 o  287.881   10.725 12729.20  942.386 13185.25  1629.17 12499.86  1155.28  290.622   18.462  284.789   13.291 5.833588 22.74838 
1 1 1    3   14   32 o  251.722   5.1357  9685.03  394.578  9884.39  585.779  9519.45  533.863  254.070   7.5538  249.393   7.0134 4.676849 10.30761 
1 1 1    3   14   33 o  248.783   4.1891  9455.83  318.099  9590.02  403.642  9235.90  516.747  250.463   5.2800  245.646   6.8921 4.816116 8.682130 
1 1 1    3   14   34 o  315.160   7.3485 15211.13  706.882 15038.21  820.354 15709.74  1393.00  313.165   8.5824  318.737   14.319 -5.572144 16.69374 
1 1 1    3   14   35 o  356.366   4.7783 19411.00  519.741 19072.62  735.510 19748.48  734.540  352.963   6.8272  359.183   6.7001 -6.220154 9.565679 
1 1 1    3   14   36 o  265.946   5.6178 10817.77  456.015 10618.79  546.649 11273.08  826.922  263.353   6.8007  270.833   10.003 -7.480682 12.09614 
1 1 1    3   14   37 o  115.753   3.3304  2046.47  117.666  2045.18  177.401  2047.48  157.228  115.657   5.0254  115.745   4.4505 -0.8789825E-01 6.712776 
1 1 1    3   14   38 f  383.234   7.7184 22514.00  902.833 21329.51  1547.66 23125.00  1111.56  371.260   13.658  387.986   9.3864 -16.72638 16.57232 
1 1 1    3   14   39 o  252.484   4.0889  9741.15  315.107  9865.32  392.343  9515.52  528.889  254.002   5.0607  249.242   6.9523 4.759918 8.599117 
1 1 1    3   14   40 o  244.567   4.7627  9144.21  355.526  9375.54  503.578  8914.33  502.004  247.432   6.6680  241.251   6.8175 6.181610 9.536219 
1 1 1    3   14   41 o  247.485   3.5233  9356.34  266.141  9017.63  505.422  9486.28  313.059  242.640   6.8246  249.153   4.1166 -6.513153 7.970026 
1 1 1    3   14   42 o  483.681   7.2059 35850.16  1063.81 37067.79  1789.09 35184.20  1323.13  490.066   11.961  478.599   9.0576 11.46695 15.00337 
1 1 1    3   14   43 o   31.073   5.6088  152.258   51.238 -38.2159  447.326  154.790   51.577   42.963   18.582   31.339   5.5975 11.62411 19.40706 
1 1 1    3   14   44 o  173.484   3.4636  4597.76  183.404  4626.86  326.413  4584.34  221.711  173.842   6.1517  173.190   4.1942 0.6527252 7.445445 
1 1 1    3   14   45 o  242.311   6.2890  8991.91  465.123  8673.34  528.660 10083.41  978.555  237.838   7.2825  255.266   12.560 -17.42844 14.51817 
1 1 1    3   14   46 o  150.785   5.1576  3478.46  237.370  3379.16  448.896  3517.00  279.669  147.779   10.011  151.548   6.0461 -3.768112 11.69524 
1 1 1    3   14   47 o  229.632   3.8499  8059.27  269.834  7932.95  284.708  9174.37  845.895  227.803   4.0947  243.613   11.376 -15.80977 12.09072 
1 1 1    3   14   48 o   60.635   3.2802  563.377   60.481  593.884  111.583  550.686   71.970   61.979   5.9723   59.889   3.9595 2.090103 7.165619 
1 1 1    3   14   49 o   33.360   4.1723  172.831   41.555  180.361   89.129  170.739   46.972   33.601   8.6417   33.063   4.7945 0.5382080 9.882585 
1 1 1    3   14   50 o  171.714   3.5524  4507.04  186.183  4649.90  258.388  4352.78  268.510  174.292   4.8571  168.593   5.2180 5.699112 7.128727 
1 1 1    3   14   51 f  518.214   6.1807 41202.03  977.602 41123.28  1262.59 41319.90  1544.78  516.790   8.0045  516.886   9.7916 -0.9643555E-01 12.64702 
1 1 1    3   14   52 o  235.021   2.8186  8439.85  202.188  8803.57  286.892  8080.94  284.992  239.893   3.9182  229.816   4.0629 10.07710 5.644379 
1 1 1    3   14   53 o  195.720   3.3316  5857.35  199.027  5967.90  319.957  5787.57  254.190  197.264   5.3141  194.428   4.2833 2.835739 6.825409 
1 1 1    3   14   54 o  110.412   7.2239  1887.52  242.104  2330.66  519.198  1764.40  273.680  120.366   14.419  106.438   8.4950 13.92817 16.73562 
1 1 1    3   14   55 o  110.466   3.8369  1868.53  129.369  1926.18  229.683  1841.74  156.566  111.565   6.7771  109.583   4.6810 1.982689 8.236578 
1 1 1    3   14   56 o  170.504   2.5522  4444.10  132.823  4360.19  177.527  4550.80  200.188  168.770   3.4463  172.362   3.8052 -3.591949 5.133860 
1 1 1    3   14   57 o  255.489   5.4779 10047.91  427.174  9392.27  940.161 10218.48  479.531  242.160   12.765  257.381   6.1041 -15.22073 14.14935 
1 1 1    3   14   58 o   71.526   7.6928  804.087  165.302  901.979  286.084  755.024  202.534   73.924   13.162   68.616   9.9618 5.308426 16.50658 
1 1 1    3   15    0 o  1390.81   85.707 313998.81 36066.60 313998.81 36066.60 313998.81 36066.60  1390.81   85.707  1390.81   85.707 0.000000 0.000000 
1 1 1    3   15    1 o  1251.07   50.902 248506.09 19437.18 297457.91 27490.47 199569.70 27486.17  1350.09   66.712  1083.67   83.750 266.4247 107.0724 
1 1 1    3   15    2 o  571.743   34.510 50987.89  5994.06 50987.89  5994.06   0.0000   0.0000  571.743   34.510  ?   ?  0.000000 34.50988 
1 1 1    3   15    3 o  307.310   11.804 14444.01  1107.20  8584.40  1556.67 20443.42  1575.13  235.290   21.928  365.432   14.122 -130.1423 26.08224 
1 1 1    3   15    4 o  418.817   25.685 27145.01  3267.47 27145.01  3267.47   0.0000   0.0000  418.817   25.685  ?   ?  0.000000 25.68456 
1 1 1    3   15    5 o  418.212   11.590 26748.57  1479.49 26748.57  1479.49   0.0000   0.0000  418.212   11.590  ?   ?  0.000000 11.59038 
1 1 1    3   15    6 o  678.846   40.965 72444.95  8448.06 72444.95  8448.06   0.0000   0.0000  678.846   40.965  ?   ?  0.000000 40.96452 
1 1 1    3   15    7 o  749.060   20.179 86187.70  4613.54 86187.70  4613.54   0.0000   0.0000  749.060   20.179  ?   ?  0.000000 20.17907 
1 1 1    3   15   11 o  815.283   49.591 105958.80 12281.63   0.0000   0.0000 105958.80 12281.63  ?   ?   815.283   49.591 0.000000 49.59056 
1 1 1    3   15   12 o  696.946   29.018 75194.85  6172.87   0.0000   0.0000 75194.85  6172.87  ?   ?   696.946   29.018 0.000000 29.01825 
1 1 1    3   15   13 o  885.436   36.909 122497.00  9974.93   0.0000   0.0000 122497.00  9974.93  ?   ?   885.436   36.909 0.000000 36.90929 
1 1 1    3   15   14 o  443.569   27.237 30537.66  3669.66   0.0000   0.0000 30537.66  3669.66  ?   ?   443.569   27.237 0.000000 27.23660 
1 1 1    3   15   15 o  424.622   18.039 27683.28  2337.89 29675.16  3308.83 25697.52  3303.74  437.766   24.866  406.798   26.757 30.96802 36.52774 
1 1 1    3   15   16 o  239.863   9.3312  8795.25  683.154  7920.29  1186.61  9229.04  835.510  226.505   17.295  245.618   11.145 -19.11353 20.57449 
1 1 1    3   15   17 o  672.468   11.841 69210.89  2430.48 71941.70  3615.18 66958.63  3283.18  684.497   17.304  660.595   16.283 23.90112 23.76063 
1 1 1    3   15   18 o  169.866   4.9751  4405.86  257.945  4618.07  281.613  3300.26  642.800  173.902   5.3056  145.997   14.622 27.90524 15.55440 
1 1 1    3   15   19 o  448.546   10.032 30776.60  1373.51 31543.13  1637.89 28960.29  2521.25  453.890   11.823  433.787   19.042 20.10370 22.41408 
1 1 1    3   15   20 o  346.114   6.3559 18300.94  671.449 19287.86  998.787 17487.12  906.982  355.123   9.2146  338.173   8.7870 16.95035 12.73268 
1 1 1    3   15   21 o  460.113   10.432 32407.89  1465.10 32850.88  1747.19 31358.51  2689.11  462.959   12.365  450.869   19.541 12.08987 23.12410 
1 1 1    3   15   22 o  110.335   4.2180  1858.89  142.048  746.672  454.110  1979.52  149.553   68.919   20.250  113.857   4.3035 -44.93802 20.70198 
1 1 1    3   15   23 o  336.912   5.4213 17340.75  557.495 18569.00  910.412 16603.87  705.169  348.371   8.5621  329.562   7.0103 18.80957 11.06589 
1 1 1    3   15   24 o  428.753   6.0100 28093.98  786.495 28370.71  1113.19 27818.16  1111.36  430.561   8.4706  426.338   8.5405 4.223297 12.02879 
1 1 1    3   15   25 o  462.291   10.617 32773.45  1498.12 32951.67  1623.85 31754.41  3882.93  463.356   11.482  447.529   28.575 15.82697 30.79597 
1 1 1    3   15   26 f  151.919   6.4260  3529.04  297.970  4058.83  450.112  3115.75  397.553  162.512   9.1111  142.308   9.2019 20.20392 12.94945 
1 1 1    3   15   27 o   99.062   5.9602  1505.73  179.376  1508.88  260.316  1502.88  247.519   98.864   8.7159   98.719   8.2914 0.1447754 12.02973 
1 1 1    3   15   28 o  263.359   5.2481 10600.48  421.858 10544.94  1380.88 10606.19  443.039  260.179   17.490  263.410   5.5105 -3.231262 18.33782 
1 1 1    3   15   29 f   68.065   9.2555  723.306  187.296  612.341  268.018  829.216  261.842   61.763   14.471   72.428   12.283 -10.66537 18.98100 
1 1 1    3   15   30 o  147.734   3.0185  3332.59  136.110  3446.58  224.033  3265.90  171.362  150.174   4.8876  146.224   3.8395 3.949890 6.215390 
1 1 1    3   15   31 o  261.853   4.7907 10478.90  382.892 10551.56  417.354 10092.63  962.263  262.726   5.2046  255.969   12.317 6.756912 13.37108 
1 1 1    3   15   32 o  132.810   2.6111  2693.00  105.845  2715.00  179.665  2681.31  130.989  133.296   4.4160  132.505   3.2388 0.7910004 5.476381 
1 1 1    3   15   33 o  262.657   4.8442 10545.05  388.355 10397.39  1003.60 10571.05  421.165  259.620   12.665  262.944   5.2477 -3.323975 13.70918 
1 1 1    3   15   34 o  121.490   3.2283  2254.18  119.713  2301.45  170.973  2208.71  167.674  122.713   4.5648  120.215   4.5697 2.498184 6.459064 
1 1 1    3   15   35 o  350.477   6.3567 18800.92  680.000 19411.26  963.454 18195.08  959.886  355.626   8.8761  344.247   9.1355 11.37885 12.73743 
1 1 1    3   15   36 o  108.735   4.2143  1806.77  139.864  1796.61  338.913  1808.85  153.549  107.566   10.455  108.783   4.6246 -1.216888 11.43201 
1 1 1    3   15   37 o  226.486   3.8463  7837.22  265.890  7837.54  331.462  7836.64  445.311  226.420   4.7963  226.246   6.4486 0.1737061 8.036697 
1 1 1    3   15   38 o  143.863   2.6873  3160.32  118.000  3012.05  139.885  3526.12  219.720  140.429   3.2636  151.871   4.7400 -11.44191 5.754866 
1 1 1    3   15   39 o  145.806   2.5825  3246.14  114.929  3250.48  219.531  3244.50  134.891  145.802   4.9330  145.755   3.0321 0.4727173E-01 5.790369 
1 1 1    3   15   40 o  227.716   3.6085  7921.79  250.804  7494.84  357.074  8337.53  352.354  221.364   5.2849  233.509   4.9438 -12.14557 7.236767 
1 1 1    3   15   41 o   63.513   4.0441  618.933   77.989  765.848  133.850  543.421   95.961   70.450   6.2909   59.364   5.3537 11.08556 8.260628 
1 1 1    3   15   42 o  189.866   3.6402  5507.58  210.958  5519.14  350.145  5501.00  264.316  189.882   6.0415  189.693   4.5652 0.1890411 7.572373 
1 1 1    3   15   43 o  237.917   3.5517  8647.96  257.914  8712.30  305.973  8490.04  479.371  238.749   4.1988  235.411   6.6716 3.338547 7.882889 
1 1 1    3   15   44 o  119.443   4.3858  2181.06  159.891  2214.05  171.583  1963.41  440.694  120.329   4.6718  111.815   13.165 8.513817 13.96937 
1 1 1    3   15   45 o   24.684   10.825 -37.4269  156.309 -70.3898  190.137   31.293  274.533   26.371   11.735   35.496   14.926 -9.125050 18.98671 
1 1 1    3   15   46 o  100.463   8.0905  1560.43  245.981  1548.66  307.327  1581.40  410.326   99.693   10.246   99.932   13.823 -0.2395172 17.20585 
1 1 1    3   15   47 o  101.912   2.2149  1585.89   68.896  1522.65  115.174  1621.12   85.975   99.808   3.7807  103.023   2.7341 -3.215401 4.665755 
1 1 1    3   15   48 o  247.055   3.2258  9326.37  243.248  9406.31  377.230  9269.48  318.251  247.899   4.9856  246.190   4.2353 1.708450 6.541683 
1 1 1    3   15   49 o  185.788   3.5387  5276.28  200.668  5406.69  255.974  5068.35  323.221  187.980   4.4614  181.838   5.8237 6.141632 7.336151 
1 1 1    3   15   50 o  221.530   3.6393  7503.67  246.077  8124.04  393.047  7103.75  315.578  230.210   5.5938  215.396   4.8001 14.81430 7.370979 
1 1 1    3   15   51 o  101.185   2.4944  1564.03   77.038  1629.38  117.627  1514.93  101.945  103.214   3.7338   99.544   3.3553 3.669708 5.019903 
1 1 1    3   15   52 o   39.931   4.7295  247.692   56.523  183.017  181.212  254.662   59.491   36.461   12.959   40.469   4.9174 -4.007717 13.86027 
1 1 1    3   15   53 o  128.350   4.9070  2526.32  192.232  2613.05  245.821  2389.80  308.421  130.349   6.1786  124.038   8.1927 6.311356 10.26135 
1 1 1    3   15   54 o   34.143   11.742  169.306  148.003  219.915  182.817   73.049  252.127   38.424   13.053   35.099   14.495 3.324799 19.50606 
1 1 1    3   15   55 o   67.597   3.0166  698.992   62.239  723.534  243.445  697.275   64.378   66.562   12.440   67.508   3.1244 -0.9462891 12.82655 
1 1 1    3   15   56 o  127.708   4.9866  2507.03  194.374  2772.70  881.616  2493.46  199.278  123.297   24.291  127.336   5.1273 -4.038246 24.82589 
1 1 1    3   15   57 o  169.223   4.8132  4402.83  248.605  4514.14  351.651  4291.60  351.512  170.739   6.7478  166.415   6.9204 4.324020 9.665620 
1 1 1    3   16    0 o  616.077   37.168 59168.24  6930.81 59168.24  6930.81 59168.24  6930.81  616.077   37.168  616.077   37.168 0.000000 0.000000 
1 1 1    3   16    1 o  471.909   20.062 34218.36  2889.74 38018.98  4086.47 30416.84  4086.95  495.323   27.133  441.969   30.483 53.35413 40.80924 
1 1 1    3   16    2 o  446.714   27.302 30950.48  3704.72 30950.48  3704.72   0.0000   0.0000  446.714   27.302  ?   ?  0.000000 27.30222 
1 1 1    3   16    3 o  397.102   24.500 24401.25  2954.96 24401.25  2954.96   0.0000   0.0000  397.102   24.500  ?   ?  0.000000 24.49957 
1 1 1    3   16    4 o  824.250   50.210 108511.20 12571.64 108511.20 12571.64   0.0000   0.0000  824.250   50.210  ?   ?  0.000000 50.21015 
1 1 1    3   16    5 o  873.990   53.478 122721.10 14197.28 122721.10 14197.28   0.0000   0.0000  873.990   53.478  ?   ?  0.000000 53.47807 
1 1 1    3   16    7 o  468.676   28.580 34126.69  4068.89 34126.69  4068.89   0.0000   0.0000  468.676   28.580  ?   ?  0.000000 28.58034 
1 1 1    3   16    8 o  432.158   26.522 28966.13  3481.45   0.0000   0.0000 28966.13  3481.45  ?   ?   432.158   26.522 0.000000 26.52189 
1 1 1    3   16   11 o  203.061   14.987  6353.91  922.298   0.0000   0.0000  6353.91  922.298  ?   ?   203.061   14.987 0.000000 14.98677 
1 1 1    3   16   12 o   63.669   11.013  637.858  206.278   0.0000   0.0000  637.858  206.278  ?   ?    63.669   11.013 0.000000 11.01330 
1 1 1    3   16   13 o   58.714   3.9618  528.669   70.583  590.904   76.031  140.502  189.880   62.084   4.0342   35.125   13.142 26.95863 13.74693 
1 1 1    3   16   14 o  138.529   4.6172  2930.01  195.226  3026.15  212.123  2397.68  499.152  140.779   4.9367  124.397   13.355 16.38211 14.23861 
1 1 1    3   16   15 o  468.355   16.175 33676.06  2312.30 35850.86  4006.50 32589.87  2831.45  479.824   27.471  459.984   20.167 19.84021 34.07898 
1 1 1    3   16   16 o  368.607   15.895 20863.51  1788.34 22803.19  2532.05 18932.84  2526.16  383.754   21.706  349.021   23.856 34.73267 32.25351 
1 1 1    3   16   17 o  300.477   13.560 13845.70  1243.66 13614.74  1761.72 14075.14  1755.89  296.559   19.573  301.638   19.171 -5.079437 27.39793 
1 1 1    3   16   18 f  185.445   9.7759  5277.24  551.380  5388.25  786.745  5170.08  772.974  186.875   13.893  183.024   13.942 3.851395 19.68189 
1 1 1    3   16   19 o  111.839   6.8605  1918.88  233.059  2045.81  419.948  1862.39  280.162  114.880   12.162  110.027   8.4060 4.852180 14.78395 
1 1 1    3   16   20 o  316.085   11.484 15317.19  1107.90 15604.47  1924.21 15174.73  1355.04  316.971   19.992  314.245   14.128 2.726379 24.47960 
1 1 1    3   16   21 o   53.255   10.746  450.283  168.653  448.857  234.881  451.801  242.315   53.117   14.210   53.333   14.503 -0.2165489 20.30399 
1 1 1    3   16   22 o  288.946   7.2180 12769.26  636.576 13650.19  1192.53 12418.22  752.801  298.001   13.111  284.810   8.6598 13.19125 15.71274 
1 1 1    3   16   23 o  313.172   5.7702 14990.34  551.562 15003.87  722.719 14971.47  853.560  313.143   7.5615  312.643   8.9448 0.5003357 11.71261 
1 1 1    3   16   24 o  295.592   9.4368 13392.53  851.401 13555.26  1207.99 13231.91  1200.18  296.740   13.337  293.165   13.413 3.574951 18.91524 
1 1 1    3   16   25 o   69.883   3.9581  748.298   84.080  916.117  224.622  720.953   90.672   76.669   9.8248   68.560   4.3556 8.108551 10.74701 
1 1 1    3   16   26 o  295.233   19.271 13626.33  1726.98   0.0000   0.0000 13626.33  1726.98  ?   ?   295.233   19.271 0.000000 19.27056 
1 1 1    3   16   27 o  157.398   7.5326  3793.10  361.877  3912.84  620.042  3731.24  445.652  158.859   12.899  155.686   9.4228 3.172821 15.97418 
1 1 1    3   16   28 o   88.354   6.7812  1201.59  181.478  1257.25  273.391  1157.75  242.648   89.930   10.137   86.376   9.3532 3.553757 13.79275 
1 1 1    3   16   29 o   28.109   5.1476  124.581   42.537  116.771   53.178  138.454   70.877   27.086   6.5125   29.534   7.7612 -2.447742 10.13160 
1 1 1    3   16   30 o  151.003   2.7248  3481.50  125.586  3520.71  180.023  3444.33  175.283  151.813   3.8851  150.159   3.8245 1.653473 5.451643 
1 1 1    3   16   31 o  117.879   3.8870  2122.79  139.854  2074.42  270.078  2140.51  163.479  116.107   7.6641  118.349   4.5256 -2.241615 8.900566 
1 1 1    3   16   32 o   64.946   2.6324  644.034   52.183  621.809   89.583  655.448   64.199   63.614   4.6459   65.512   3.2106 -1.897415 5.647360 
1 1 1    3   16   33 o  214.744   3.5554  7044.14  233.036  7304.23  376.331  6882.39  296.782  218.519   5.6424  212.199   4.5822 6.320206 7.268658 
1 1 1    3   16   34 o  227.857   3.4528  7930.52  240.131  7695.85  349.369  8140.65  330.602  224.342   5.1022  230.768   4.6937 -6.426804 6.932733 
1 1 1    3   16   35 o   97.138   4.7545  1442.53  140.964  1469.21  148.829  1209.93  439.460   97.897   4.9975   86.614   17.230 11.28302 17.93969 
1 1 1    3   16   36 o  154.988   3.3176  3669.09  156.943  3825.92  192.370  3356.96  271.397  158.236   3.9831  148.104   6.0037 10.13168 7.204831 
1 1 1    3   16   37 o  389.690   7.6014 23281.62  904.132 24059.76  1220.93 22336.76  1345.38  395.453   10.115  380.553   11.583 14.89984 15.37791 
1 1 1    3   16   38 o  191.553   4.2135  5607.66  246.346   0.0000   0.0000  5607.66  246.346  ?   ?   191.553   4.2135 0.000000 4.213465 
1 1 1    3   16   39 o  206.642   3.2334  6522.13  203.939  6253.14  298.039  6758.99  279.664  202.230   4.8285  210.288   4.3572 -8.057495 6.503778 
1 1 1    3   16   40 o  241.812   4.9717  8941.92  366.944  8435.45  523.458  9431.25  514.532  234.586   7.3108  248.121   6.7941 -13.53474 9.980324 
1 1 1    3   16   41 o   50.643   3.3742  393.519   51.857  389.163  115.043  394.630   58.094   49.774   7.8312   50.680   3.7829 -0.9054337 8.696979 
1 1 1    3   16   42 o  109.135   3.5373  1819.69  117.828  1839.07  168.800  1801.27  164.550  109.651   5.0436  108.522   4.9678 1.129181 7.079338 
1 1 1    3   16   43 o  110.049   4.1862  1851.29  140.613  1914.52  151.354  1452.65  380.041  111.902   4.4314   95.893   13.346 16.00851 14.06277 
1 1 1    3   16   44 o  335.228   6.2599 17216.91  640.510 17275.53  673.118 16655.45  2083.16  335.732   6.5687  322.575   21.277 13.15753 22.26836 
1 1 1    3   16   45 o  101.636   2.2792  1577.32   70.703  1639.77  116.567  1540.98   88.930  103.582   3.6870  100.441   2.9008 3.141083 4.691338 
1 1 1    3   16   46 o   87.270   2.6389  1163.21   70.291  1172.44  103.108  1155.20   96.077   87.576   3.8574   86.938   3.6207 0.6374588 5.290454 
1 1 1    3   16   47 o  231.920   3.2074  8218.91  227.042  8378.03  352.103  8105.67  297.044  233.953   4.9309  230.210   4.2275 3.743149 6.494999 
1 1 1    3   16   48 f  248.742   4.6875  9470.27  355.884  9699.89  487.266  9207.73  521.020  251.431   6.3494  244.833   6.9721 6.597137 9.430026 
1 1 1    3   16   49 o   94.365   3.8649  1361.96  111.318  1377.29  152.217  1344.33  163.212   94.658   5.2897   93.454   5.7498 1.204124 7.812874 
1 1 1    3   16   50 o  180.003   3.3061  4953.65  181.639  5007.41  296.540  4921.37  229.793  180.712   5.3762  179.318   4.1985 1.394348 6.821395 
1 1 1    3   16   51 o  223.895   3.4755  7667.23  237.509  8328.19  491.044  7465.38  271.362  232.585   6.9171  220.844   4.0257 11.74031 8.003280 
1 1 1    3   16   52 o  281.198   5.4016 12140.73  463.611 13151.25  699.404 11348.71  619.190  291.686   7.8559  271.120   7.4825 20.56616 10.84908 
1 1 1    3   16   53 o   61.950   4.5205  591.621   84.886  574.193  245.631  593.985   90.460   58.895   13.890   62.033   4.8154 -3.137924 14.70084 
1 1 1    3   16   54 o  146.227   3.6096  3274.52  161.105  3329.46  552.451  3269.42  168.425  144.157   12.685  146.089   3.7772 -1.931396 13.23528 
1 1 1    3   16   55 o   47.651   18.419  289.343  380.592   91.833  651.516  391.657  468.919   51.461   22.342   53.344   20.492 -1.883091 30.31624 
1 1 1    3   16   56 o   46.113   13.692  351.316  206.716  353.242  213.743  323.457  812.870   46.278   13.965   59.448   25.369 -13.16963 28.95851 
1 1 1    3   17    0 o  300.715   19.524 14020.57  1774.65 14020.57  1774.65 14020.57  1774.65  300.715   19.524  300.715   19.524 0.000000 0.000000 
1 1 1    3   17    1 o  382.755   16.607 22479.20  1940.12 23003.45  2744.12 21955.23  2743.37  385.474   23.435  376.425   24.003 9.049255 33.54549 
1 1 1    3   17    2 o  289.079   18.736 12894.48  1644.24 12894.48  1644.24   0.0000   0.0000  289.079   18.736  ?   ?  0.000000 18.73600 
1 1 1    3   17    3 o  364.384   15.638 20361.89  1739.27 18971.83  2454.16 21764.59  2465.28  349.987   23.104  375.294   21.613 -25.30716 31.63722 
1 1 1    3   17    8 o  167.605   5.8125  4290.20  297.348  4290.20  297.348   0.0000   0.0000  167.605   5.8125  ?   ?  0.000000 5.812482 
1 1 1    3   17    9 o  120.839   4.8919  2229.63  180.426  2229.63  180.426   0.0000   0.0000  120.839   4.8919  ?   ?  0.000000 4.891891 
1 1 1    3   17   10 o  403.095   24.954 25247.49  3055.09 25247.49  3055.09   0.0000   0.0000  403.095   24.954  ?   ?  0.000000 24.95406 
1 1 1    3   17   11 o  567.798   34.677 50810.42  5980.97   0.0000   0.0000 50810.42  5980.97  ?   ?   567.798   34.677 0.000000 34.67747 
1 1 1    3   17   12 f  459.101   28.254 32938.30  3939.90   0.0000   0.0000 32938.30  3939.90  ?   ?   459.101   28.254 0.000000 28.25353 
1 1 1    3   17   14 o  197.032   10.041  5957.37  601.870   0.0000   0.0000  5957.37  601.870  ?   ?   197.032   10.041 0.000000 10.04132 
1 1 1    3   17   15 o  161.294   7.3909  3977.10  363.860  3100.81  626.497  4423.13  446.971  141.311   14.742  169.826   8.6517 -28.51503 17.09360 
1 1 1    3   17   16 o  284.879   10.554 12432.03  917.672 13184.11  1591.90 12057.72  1123.05  291.799   17.961  280.270   13.128 11.52942 22.24739 
1 1 1    3   17   17 o  220.647   8.8175  7451.04  593.824  6819.78  1031.05  7764.37  726.397  209.773   16.230  225.098   10.573 -15.32468 19.36954 
1 1 1    3   17   18 o  196.662   10.167  5942.17  608.196  5292.75  862.335  6584.95  857.920  184.734   15.435  206.515   13.688 -21.78029 20.63028 
1 1 1    3   17   19 o  451.882   19.461 31667.54  2684.11 31287.08  3797.69 32047.29  3794.11  444.520   28.136  450.125   27.751 -5.605621 39.51898 
1 1 1    3   17   20 o  326.553   8.5980 16329.30  856.972 17167.20  2068.17 16155.61  941.612  331.595   20.535  324.690   9.5014 6.905579 22.62693 
1 1 1    3   17   21 o  163.066   4.7814  4062.56  237.974  5083.91  652.447  3905.83  255.582  181.515   11.841  159.871   5.2377 21.64386 12.94800 
1 1 1    3   17   22 o  362.117   8.6818 20090.11  959.571 21112.97  2503.21 19913.91  1038.94  366.529   22.484  360.397   9.4448 6.131989 24.38728 
1 1 1    3   17   23 o  145.020   8.8240  3234.94  388.725  3218.63  558.967  3250.22  540.956  144.022   12.851  144.821   12.356 -0.7989044 17.82751 
1 1 1    3   17   24 o  225.710   6.6541  7794.30  458.414   0.0000   0.0000  7794.30  458.414  ?   ?   225.710   6.6541 0.000000 6.654122 
1 1 1    3   17   25 o  294.561   5.9214 13268.88  532.372 14402.59  1744.51 13152.46  559.039  303.460   18.929  293.231   6.2462 10.22821 19.93286 
1 1 1    3   17   26 o  104.808   3.7183  1677.83  118.949  1735.68  132.348  1434.70  271.302  106.591   4.0680   96.254   9.3527 10.33704 10.19906 
1 1 1    3   17   27 o   97.855   2.6591  1461.99   79.421  1491.07  106.097  1424.93  119.781   98.806   3.5181   96.577   4.0635 2.228745 5.374799 
1 1 1    3   17   28 o  410.157   7.3222 25764.95  916.665 25751.90  1000.01 25833.60  2293.47  409.914   7.9927  406.857   18.469 3.057251 20.12392 
1 1 1    3   17   29 o  140.518   4.1970  3017.01  180.005  3245.01  333.685  2923.43  213.778  145.340   7.5480  138.283   5.0650 7.057312 9.089865 
1 1 1    3   17   30 o  209.790   4.8070  6727.81  307.808  7158.79  574.561  6554.32  364.533  215.999   8.7150  206.993   5.7699 9.006516 10.45191 
1 1 1    3   17   31 o  414.892   7.0086 26365.08  887.530 26318.66  1006.39 26527.51  1882.59  414.310   7.9583  413.539   14.915 0.7709351 16.90537 
1 1 1    3   17   32 o  171.448   3.4350  4489.95  179.754  4296.25  224.732  4833.95  299.496  167.661   4.3915  177.769   5.5197 -10.10719 7.053568 
1 1 1    3   17   33 o  156.305   3.3629  3731.74  160.434  3799.91  180.294  3472.45  351.635  157.709   3.7455  150.303   7.6907 7.405823 8.554247 
1 1 1    3   17   34 o  393.741   7.1975 23756.57  864.992 23456.16  1178.09 24107.93  1274.11  390.538   9.8832  395.716   10.549 -5.177582 14.45533 
1 1 1    3   17   35 o   91.022   4.2610  1266.22  118.379  1300.71  134.805  1149.98  247.457   92.110   4.8116   85.968   9.5944 6.141861 10.73334 
1 1 1    3   17   36 o  381.268   8.5508 22315.36  995.066 22903.13  1184.32 20904.32  1834.98  385.823   10.057  366.142   16.420 19.68109 19.25480 
1 1 1    3   17   37 o  200.309   3.5207  6129.52  215.255  6631.81  355.526  5838.84  270.461  208.194   5.5948  195.437   4.5340 12.75775 7.201326 
1 1 1    3   17   38 o   90.421   4.2084  1249.59  116.147  1150.79  289.702  1268.51  126.782   85.655   11.361   90.976   4.5804 -5.321190 12.24997 
1 1 1    3   17   39 o   92.938   8.1314  1335.58  228.342  1479.58  301.952  1143.23  348.977   97.494   10.303   84.788   13.972 12.70652 17.35979 
1 1 1    3   17   40 o   94.927   4.5350  1377.71  131.396  1140.00  600.888  1389.65  134.655   83.170   22.931   95.334   4.6276 -12.16420 23.39287 
1 1 1    3   17   41 o  335.200   8.2045 17254.13  839.408 18431.10  1555.01 16770.13  997.173  344.047   14.808  329.999   9.9001 14.04773 17.81264 
1 1 1    3   17   42 o   95.312   4.5311  1389.17  131.816  1400.56  141.411  1313.71  364.047   95.565   4.8642   91.039   13.511 4.525230 14.36003 
1 1 1    3   17   43 o  155.821   4.6886  3713.85  222.990  3793.86  256.941  3469.68  448.849  157.436   5.3470  149.712   9.8781 7.724518 11.23244 
1 1 1    3   17   44 o  225.285   3.8125  7757.96  262.156  8770.58  819.963  7642.67  276.678  238.060   11.285  223.581   4.0544 14.47893 11.99095 
1 1 1    3   17   45 o  226.095   3.3152  7811.54  228.779  8632.37  415.052  7453.31  274.193  237.370   5.7287  220.777   4.0690 16.59311 7.026738 
1 1 1    3   17   46 o   27.853   6.0671  123.560   50.119  142.430   94.248  116.120   59.181   30.357   9.2972   27.010   7.0891 3.347279 11.69163 
1 1 1    3   17   47 o   50.964   3.7939  399.362   58.592  378.461  105.484  408.688   70.462   49.100   7.2572   51.478   4.5307 -2.377155 8.555396 
1 1 1    3   17   48 o   29.890   6.8926  142.801   61.597  156.162   84.584  127.714   89.879   31.320   8.5901   28.924   9.1158 2.396105 12.52549 
1 1 1    3   17   49 o   48.170   3.2540  356.365   47.562  559.438  147.935  332.954   50.229   59.631   8.3575   46.523   3.5644 13.10883 9.085819 
1 1 1    3   17   50 o  151.479   2.8278  3507.17  130.742  3725.01  282.592  3447.83  147.475  155.705   5.9462  150.158   3.2177 5.546631 6.761024 
1 1 1    3   17   51 o  101.472   2.8795  1574.20   89.182  1796.39  172.605  1493.28  104.163  108.173   5.2278   98.790   3.4545 9.383148 6.266026 
1 1 1    3   17   52 o  123.603   4.2551  2341.94  160.529  2424.64  183.119  2067.43  333.633  125.695   4.7731  114.718   9.6171 10.97607 10.73645 
1 1 1    3   17   53 o  114.195   4.2842  2000.20  149.325  1364.27  351.346  2140.39  164.965   91.693   12.911  118.087   4.5769 -26.39341 13.69872 
1 1 1    3   17   54 o  200.787   6.7944  6239.53  416.393   0.0000   0.0000  6239.53  416.393  ?   ?   200.787   6.7944 0.000000 6.794384 
1 1 1    3   17   55 o   59.604   13.623  596.342  242.429  596.342  242.429   0.0000   0.0000   59.604   13.623  ?   ?  0.000000 13.62302 
1 1 1    3   18    3 o  498.545   30.600 38985.50  4633.86   0.0000   0.0000 38985.50  4633.86  ?   ?   498.545   30.600 0.000000 30.60033 
1 1 1    3   18    4 o  567.691   23.445 49895.13  4062.32 46213.27  5739.71 53590.57  5750.29  540.623   34.971  583.737   32.402 -43.11426 47.67439 
1 1 1    3   18    5 o  370.293   23.151 21307.39  2603.39 21307.39  2603.39   0.0000   0.0000  370.293   23.151  ?   ?  0.000000 23.15056 
1 1 1    3   18    6 f  545.477   33.419 46971.10  5537.23 46971.10  5537.23   0.0000   0.0000  545.477   33.419  ?   ?  0.000000 33.41934 
1 1 1    3   18    7 o  205.747   6.5062  6468.16  408.581  6468.16  408.581   0.0000   0.0000  205.747   6.5062  ?   ?  0.000000 6.506210 
1 1 1    3   18    8 o  420.717   26.060 27656.67  3329.93 27656.67  3329.93   0.0000   0.0000  420.717   26.060  ?   ?  0.000000 26.05976 
1 1 1    3   18    9 o  202.389   14.582  6324.31  894.719  6324.31  894.719   0.0000   0.0000  202.389   14.582  ?   ?  0.000000 14.58154 
1 1 1    3   18   10 o  376.637   23.586 22121.67  2697.73 22121.67  2697.73   0.0000   0.0000  376.637   23.586  ?   ?  0.000000 23.58598 
1 1 1    3   18   11 o  260.497   6.3278 10370.24  503.123 10897.19  595.882  9061.77  938.982  266.972   7.3127  242.676   12.721 24.29602 14.67326 
1 1 1    3   18   12 o  247.402   6.6532  9355.96  502.398  9557.20  550.691  8357.21  1226.82  250.013   7.2165  232.102   17.445 17.91148 18.87880 
1 1 1    3   18   13 f  339.082   21.626 17929.89  2226.56   0.0000   0.0000 17929.89  2226.56  ?   ?   339.082   21.626 0.000000 21.62634 
1 1 1    3   18   14 o  292.414   19.146 13297.58  1699.34   0.0000   0.0000 13297.58  1699.34  ?   ?   292.414   19.146 0.000000 19.14563 
1 1 1    3   18   16 o  126.074   8.4805  2444.58  324.438  2497.40  461.235  2392.86  456.452  126.942   12.049  124.210   12.197 2.732422 17.14470 
1 1 1    3   18   17 o  338.168   14.983 17642.07  1546.44 17821.62  2188.59 17463.05  2185.41  337.387   21.363  333.885   21.560 3.501465 30.35156 
1 1 1    3   18   18 o  327.819   8.6043 16462.45  860.927 17051.37  2075.03 16339.99  946.211  330.064   20.702  326.464   9.4959 3.599548 22.77602 
1 1 1    3   18   19 o   45.652   11.832  332.376  166.223  183.307  242.173  465.168  228.568   39.692   14.843   53.918   13.824 -14.22632 20.28328 
1 1 1    3   18   20 o   62.149   10.022  607.544  183.648  473.325  269.805  723.413  250.684   54.622   15.477   67.481   12.635 -12.85983 19.97976 
1 1 1    3   18   21 o  142.288   12.376  3139.85  532.146   0.0000   0.0000  3139.85  532.146  ?   ?   142.288   12.376 0.000000 12.37635 
1 1 1    3   18   23 o  105.971   4.2514  1715.72  137.511  1658.58  559.607  1719.39  141.861  101.643   18.728  106.081   4.3814 -4.438202 19.23378 
1 1 1    3   18   24 o  173.814   3.3818  4613.98  179.411  4421.69  229.034  4919.35  288.629  170.111   4.4112  179.381   5.2717 -9.270157 6.873764 
1 1 1    3   18   25 o  166.288   3.2276  4222.90  163.815  4192.71  214.926  4264.75  253.055  165.651   4.2509  167.032   4.9636 -1.380951 6.535090 
1 1 1    3   18   26 o  416.229   7.4157 26538.87  942.110 27541.94  1390.06 25686.67  1281.27  423.146   10.763  408.790   10.269 14.35617 14.87577 
1 1 1    3   18   27 o  308.252   5.3741 14530.70  505.627 14986.60  716.385 14078.14  713.752  312.748   7.5047  303.086   7.7155 9.661560 10.76335 
1 1 1    3   18   28 o  229.151   3.8086  8022.16  266.382  8069.55  342.124  7949.19  424.509  229.749   4.8788  227.917   6.1023 1.831528 7.812839 
1 1 1    3   18   29 o   65.229   3.8485  652.312   76.281  623.586  122.394  670.556   97.541   63.506   6.4017   66.048   4.8729 -2.542740 8.045330 
1 1 1    3   18   30 o  296.831   5.2942 13475.56  479.656 13436.42  681.209 13514.05  675.498  296.071   7.5382  296.939   7.4531 -0.8685303 10.60065 
1 1 1    3   18   31 o  232.405   5.0618  8259.55  359.060  8402.47  430.242  7931.57  651.742  234.310   6.0160  227.184   9.3990 7.126221 11.15944 
1 1 1    3   18   32 o  251.959   6.2395  9718.52  479.843 10132.59  967.780  9583.55  552.543  256.103   12.381  250.069   7.2392 6.034592 14.34178 
1 1 1    3   18   33 o  121.377   9.4197  2277.86  346.238   0.0000   0.0000  2277.86  346.238  ?   ?   121.377   9.4197 0.000000 9.419656 
1 1 1    3   18   34 o   23.431   5.8525   87.327   41.732 -27.3733  297.565   89.628   42.149   35.153   15.180   23.733   5.8548 11.41983 16.27003 
1 1 1    3   18   35 o   22.311   7.1869   74.081   55.634   76.237   60.392   61.992  142.997   22.814   7.4975   27.987   11.147 -5.172709 13.43377 
1 1 1    3   18   36 o  179.621   4.6741  4932.81  256.255  4873.06  313.441  5053.23  445.001  178.445   5.7548  181.476   8.0339 -3.030579 9.882373 
1 1 1    3   18   37 o  112.317   3.7332  1927.53  127.981  1737.92  195.547  2069.61  169.270  106.376   6.0477  116.340   4.7669 -9.963318 7.700486 
1 1 1    3   18   38 f  212.801   6.1790  6934.32  401.335  6984.98  442.346  6698.52  954.390  213.502   6.7880  206.863   15.223 6.639053 16.66744 
1 1 1    3   18   39 o  310.751   7.6861 14817.66  729.017 15230.59  801.912 12851.15  1750.00  314.899   8.3433  284.175   20.310 30.72397 21.95675 
1 1 1    3   18   40 o  135.912   3.6716  2822.73  152.310  2841.62  210.619  2802.02  220.519  136.286   5.0633  135.314   5.3393 0.9718170 7.358327 
1 1 1    3   18   41 f  169.222   4.5938  4379.66  237.274  4349.38  495.304  4388.67  270.309  167.736   9.7161  169.342   5.2297 -1.605942 11.03414 
1 1 1    3   18   42 o  101.138   2.9436  1562.51   90.868  1480.90  119.382  1674.92  140.104   98.423   3.9740  104.652   4.3862 -6.229568 5.918691 
1 1 1    3   18   43 f  189.641   3.5243  5496.38  203.995  5307.26  262.800  5783.10  323.577  186.253   4.6228  194.329   5.4554 -8.075775 7.150618 
1 1 1    3   18   44 o  143.437   3.1152  3143.66  136.386  3234.14  237.997  3099.42  166.422  145.313   5.3660  142.380   3.8295 2.933334 6.592358 
1 1 1    3   18   45 o  118.243   2.6897  2135.80   97.071  2120.54  144.169  2148.47  131.290  117.749   4.0114  118.545   3.6285 -0.7963028 5.409043 
1 1 1    3   18   46 o  164.155   3.5317  4119.96  176.950  4605.70  292.681  3840.13  222.148  173.330   5.5323  158.381   4.5954 14.94926 7.191922 
1 1 1    3   18   47 o  201.061   2.7964  6177.23  171.608  7132.08  280.474  5605.89  216.957  215.861   4.2570  191.444   3.7129 24.41730 5.648676 
1 1 1    3   18   48 o  209.757   3.7422  6731.62  239.586  7606.66  449.578  6384.55  283.141  222.375   6.6237  204.156   4.5439 18.21907 8.032464 
1 1 1    3   18   49 o   44.870   5.1763  312.958   69.590  330.471  165.445  309.193   76.705   45.081   11.863   44.494   5.7849 0.5861130 13.19841 
1 1 1    3   18   50 o  189.733   4.1316  5515.37  239.264  5165.23  351.473  5817.77  326.633  183.141   6.2877  194.571   5.5000 -11.43027 8.353724 
1 1 1    3   18   51 o  170.334   9.5435  4545.19  494.168  4827.04  697.999  4261.94  699.723  173.496   13.282  162.371   14.263 11.12444 19.48987 
1 1 1    3   18   52 o  129.554   5.2095  2581.51  205.997  2416.32  457.029  2623.62  230.768  122.610   12.382  130.487   5.7942 -7.876198 13.67061 
1 1 1    3   18   53 o   67.492   7.3448  714.963  148.860   0.0000   0.0000  714.963  148.860  ?   ?    67.492   7.3448 0.000000 7.344764 
1 1 1    3   19    0 o  397.775   24.877 24667.91  2993.24 24667.91  2993.24 24667.91  2993.24  397.775   24.877  397.775   24.877 0.000000 0.000000 
1 1 1    3   19    1 o  385.149   24.136 23206.87  2823.02 23206.87  2823.02   0.0000   0.0000  385.149   24.136  ?   ?  0.000000 24.13610 
1 1 1    3   19    2 o  334.496   14.373 17205.84  1467.42 15003.03  2068.08 19439.45  2082.49  310.042   21.997  353.952   19.350 -43.91031 29.29609 
1 1 1    3   19    3 o  377.707   23.691 22311.00  2717.38 22311.00  2717.38   0.0000   0.0000  377.707   23.691  ?   ?  0.000000 23.69090 
1 1 1    3   19    4 o  266.193   17.612 10987.53  1422.85 10987.53  1422.85   0.0000   0.0000  266.193   17.612  ?   ?  0.000000 17.61194 
1 1 1    3   19    5 o  163.470   5.6162  4083.17  280.220  4083.17  280.220   0.0000   0.0000  163.470   5.6162  ?   ?  0.000000 5.616205 
1 1 1    3   19    6 o  392.357   24.569 24143.65  2927.47 24143.65  2927.47   0.0000   0.0000  392.357   24.569  ?   ?  0.000000 24.56913 
1 1 1    3   19    7 o  297.259   19.276 13744.63  1739.49 13744.63  1739.49   0.0000   0.0000  297.259   19.276  ?   ?  0.000000 19.27604 
1 1 1    3   19    8 o   95.909   9.3022  1422.03  268.885  1426.17  336.255  1414.67  447.790   95.685   11.761   94.488   16.104 1.196716 19.94168 
1 1 1    3   19    9 o  183.751   6.0352  5161.05  338.483  5161.05  338.483   0.0000   0.0000  183.751   6.0352  ?   ?  0.000000 6.035182 
1 1 1    3   19   10 o  388.042   10.875 23103.02  1287.99 23103.02  1287.99   0.0000   0.0000  388.042   10.875  ?   ?  0.000000 10.87466 
1 1 1    3   19   11 o  208.992   10.537  6717.33  669.953  6696.73  937.976  6738.79  957.232  207.879   14.881  208.477   15.147 -0.5980835 21.23396 
1 1 1    3   19   12 f  152.935   8.8651  3595.05  412.041  3153.80  570.693  4075.55  595.527  142.542   13.270  162.396   12.101 -19.85474 17.95913 
1 1 1    3   19   13 o  312.979   14.092 15100.20  1346.15 15367.32  1900.41 14831.20  1907.09  313.568   19.960  307.863   20.411 5.704956 28.54859 
1 1 1    3   19   14 o  248.719   16.821  9623.23  1269.44   0.0000   0.0000  9623.23  1269.44  ?   ?   248.719   16.821 0.000000 16.82075 
1 1 1    3   19   17 o  104.841   11.897  1712.34  373.965   0.0000   0.0000  1712.34  373.965  ?   ?   104.841   11.897 0.000000 11.89712 
1 1 1    3   19   18 o  386.271   16.914 23158.07  1994.08 23022.11  2820.92 23293.87  2819.21  381.020   24.384  383.368   24.218 -2.348236 34.36696 
1 1 1    3   19   19 o  182.513   5.4038  5092.75  301.030   0.0000   0.0000  5092.75  301.030  ?   ?   182.513   5.4038 0.000000 5.403793 
1 1 1    3   19   20 o  158.020   9.0394  3842.74  434.173   0.0000   0.0000  3842.74  434.173  ?   ?   158.020   9.0394 0.000000 9.039411 
1 1 1    3   19   21 o  294.390   13.381 13380.29  1202.32   0.0000   0.0000 13380.29  1202.32  ?   ?   294.390   13.381 0.000000 13.38069 
1 1 1    3   19   22 o  273.350   10.316 11484.63  860.734 11045.11  1494.91 11702.60  1052.75  265.366   18.574  275.470   12.521 -10.10501 22.39993 
1 1 1    3   19   23 o  218.968   8.7415  7355.94  584.231  7845.98  1019.91  7116.61  712.757  224.532   14.968  214.793   10.908 9.739578 18.52073 
1 1 1    3   19   24 o   56.511   4.6906  491.485   80.174  477.731   85.096  600.167  239.211   55.670   5.0634   61.185   13.197 -5.514240 14.13503 
1 1 1    3   19   25 o  189.575   3.9070  5490.82  226.072  5635.95  248.553  4795.67  543.981  192.045   4.2403  176.316   10.151 15.72902 11.00115 
1 1 1    3   19   26 f   39.045   4.6292  236.300   54.094  237.757   58.824  228.314  137.687   39.111   5.0453   38.149   11.134 0.9619827 12.22342 
1 1 1    3   19   27 f   14.612   5.6026   21.729   35.010   63.952   54.420  -8.0844   45.728   21.160   7.1218   13.612   5.9144 7.547471 9.257463 
1 1 1    3   19   28 o  231.732   3.4272  8202.78  242.406  8341.57  432.432  8139.19  292.722  233.452   6.0688  230.781   4.1556 2.671066 7.355245 
1 1 1    3   19   29 o  188.528   3.8791  5430.81  223.214  5631.59  320.975  5242.77  310.624  191.866   5.4810  185.122   5.4974 6.743332 7.762892 
1 1 1    3   19   30 o   83.413   3.0129  1062.62   76.706  839.529  143.385  1152.07   90.790   73.767   6.4327   86.844   3.4252 -13.07634 7.287752 
1 1 1    3   19   31 o  216.531   4.5642  7167.59  301.647  7022.88  446.351  7289.24  409.246  214.107   6.8301  218.209   6.1446 -4.102341 9.187335 
1 1 1    3   19   32 o   97.504   2.7265  1451.79   81.142  1490.99  143.094  1433.20   98.512   98.750   4.7475   96.864   3.3321 1.886711 5.800113 
1 1 1    3   19   33 o  162.681   3.4898  4043.01  173.284  4224.76  248.407  3870.74  241.846  166.216   4.8964  159.094   4.9805 7.121902 6.984223 
1 1 1    3   19   34 o  261.307   4.8177 10441.11  384.248 10543.53  999.671 10423.36  416.223  261.105   12.544  261.040   5.2240 0.6460571E-01 13.58801 
1 1 1    3   19   35 o   91.420   8.1603  1292.89  225.308  1391.41  306.300  1176.73  332.588   94.406   10.826   86.250   13.041 8.156082 16.94871 
1 1 1    3   19   36 o  142.863   3.9070  3119.06  170.366  3158.22  240.131  3079.38  241.746  143.663   5.4763  141.851   5.5836 1.811920 7.820863 
1 1 1    3   19   37 o   84.278   7.9215  1099.76  201.377  1157.29  260.538  1014.40  317.384   86.100   10.106   79.806   13.512 6.293800 16.87323 
1 1 1    3   19   38 o  292.473   7.0631 13117.95  630.517 13268.92  750.122 12754.48  1163.90  293.865   8.3631  286.630   13.304 7.235229 15.71407 
1 1 1    3   19   39 o  104.885   3.5365  1681.03  113.215  1571.56  166.798  1774.55  154.168  101.182   5.4207  107.711   4.6894 -6.529373 7.167561 
1 1 1    3   19   40 f  302.556   5.5047 14016.00  508.344 14154.57  557.879 13338.04  1234.01  303.951   6.0134  292.615   13.817 11.33585 15.06853 
1 1 1    3   19   41 o   44.686   7.5566  315.070   99.391  321.657  112.794  292.189  210.225   44.994   8.5252   43.673   13.960 1.320930 16.35762 
1 1 1    3   19   42 o  238.222   3.7742  8675.90  274.422  9392.50  344.509  7431.84  453.922  247.765   4.5556  220.055   6.7582 27.71027 8.150268 
1 1 1    3   19   43 o  170.395   3.3605  4437.68  174.773  4410.75  219.596  4484.23  288.667  169.802   4.2370  171.068   5.5286 -1.265228 6.965450 
1 1 1    3   19   44 o  135.500   3.0480  2805.75  126.058  2898.28  159.525  2651.92  205.695  137.665   3.7965  131.572   5.1220 6.092941 6.375663 
1 1 1    3   19   45 o  195.007   3.1063  5812.31  184.889  6117.82  273.918  5556.64  250.582  199.901   4.4894  190.536   4.3088 9.364868 6.222589 
1 1 1    3   19   46 o  145.238   3.0677  3224.46  135.991  3974.71  265.139  2956.64  158.415  160.975   5.3963  139.020   3.7334 21.95476 6.561885 
1 1 1    3   19   47 o  134.185   4.5968  2759.15  188.266  3246.81  869.463  2735.16  192.842  138.762   21.202  133.585   4.7296 5.177689 21.72277 
1 1 1    3   19   48 o   38.939   10.077  245.283  120.681  327.958  172.324  165.710  169.060   44.889   12.240   34.860   12.503 10.02877 17.49708 
1 1 1    3   19   49 o  187.509   10.034  5512.82  572.199  5918.45  810.480  5109.71  807.950  191.979   13.926  177.581   15.048 14.39778 20.50312 
1 1 1    3   19   50 o   94.377   4.2982  1366.21  123.814  1571.79  346.945  1336.20  132.542   99.033   11.704   93.294   4.6546 5.738777 12.59576 
1 1 1    3   19   51 o  170.344   5.9165  4475.40  307.616  4571.19  331.735  3887.56  821.771  172.030   6.3179  151.467   18.136 20.56296 19.20485 
1 1 1    3   19   52 o  129.729   12.522  2723.16  489.652  2723.16  489.652   0.0000   0.0000  129.729   12.522  ?   ?  0.000000 12.52169 
1 1 1    3   20    0 o  506.919   31.298 40493.81  4800.24 40493.81  4800.24 40493.81  4800.24  506.919   31.298  506.919   31.298 0.000000 0.000000 
1 1 1    3   20    1 o  345.849   12.952 18408.15  1367.26 28980.30  1942.62  8030.03  1924.71  433.425   14.684  223.113   28.945 210.3128 32.45721 
1 1 1    3   20    2 o  266.323   11.010 10890.72  894.985  5844.43  1251.44 16173.77  1280.46  192.287   21.702  324.176   12.941 -131.8893 25.26783 
1 1 1    3   20    3 o  376.551   16.268 21930.56  1869.68 20931.46  2635.73 22942.51  2652.62  364.402   23.829  382.051   22.853 -17.64896 33.01585 
1 1 1    3   20    4 o  252.404   13.179  9835.40  1011.81 13231.48  1419.50  6327.86  1442.61  292.117   15.981  199.319   24.210 92.79865 29.00887 
1 1 1    3   20    5 o  147.903   12.382  3388.07  553.839  3388.07  553.839   0.0000   0.0000  147.903   12.382  ?   ?  0.000000 12.38239 
1 1 1    3   20    6 o  216.617   6.7415  7178.19  445.721  7178.19  445.721   0.0000   0.0000  216.617   6.7415  ?   ?  0.000000 6.741454 
1 1 1    3   20    7 o  235.740   16.156  8638.56  1155.43  8638.56  1155.43   0.0000   0.0000  235.740   16.156  ?   ?  0.000000 16.15557 
1 1 1    3   20    8 o  383.710   24.284 23277.17  2829.44 23277.17  2829.44   0.0000   0.0000  383.710   24.284  ?   ?  0.000000 24.28431 
1 1 1    3   20    9 f  121.330   11.846  2285.18  433.079  2285.18  433.079   0.0000   0.0000  121.330   11.846  ?   ?  0.000000 11.84562 
1 1 1    3   20   10 f  242.064   16.496  9120.39  1211.53  9120.39  1211.53   0.0000   0.0000  242.064   16.496  ?   ?  0.000000 16.49614 
1 1 1    3   20   11 o  161.604   12.939  4049.10  632.856  4049.10  632.856   0.0000   0.0000  161.604   12.939  ?   ?  0.000000 12.93882 
1 1 1    3   20   12 o  368.086   23.430 21422.92  2618.65 21422.92  2618.65   0.0000   0.0000  368.086   23.430  ?   ?  0.000000 23.43018 
1 1 1    3   20   13 o  224.338   6.9270  7702.76  474.315  7702.76  474.315   0.0000   0.0000  224.338   6.9270  ?   ?  0.000000 6.927011 
1 1 1    3   20   14 o  154.650   4.9891  3655.56  235.500  3738.50  254.785  3169.06  617.058  156.378   5.3380  142.503   14.384 13.87500 15.34224 
1 1 1    3   20   15 o  178.485   5.0680  4869.59  276.093  4838.89  324.785  4949.58  524.242  177.865   5.9826  179.317   9.6134 -1.451660 11.32294 
1 1 1    3   20   16 o  387.346   24.663 23877.71  2900.67   0.0000   0.0000 23877.71  2900.67  ?   ?   387.346   24.663 0.000000 24.66311 
1 1 1    3   20   17 o   88.046   12.139  1216.34  317.534   0.0000   0.0000  1216.34  317.534  ?   ?    88.046   12.139 0.000000 12.13859 
1 1 1    3   20   18 o  182.856   13.832  5197.02  766.290   0.0000   0.0000  5197.02  766.290  ?   ?   182.856   13.832 0.000000 13.83219 
1 1 1    3   20   19 o   56.191   10.262  500.296  169.512   0.0000   0.0000  500.296  169.512  ?   ?    56.191   10.262 0.000000 10.26183 
1 1 1    3   20   20 o   78.854   3.9867  952.435   95.642  966.659  108.350  902.245  203.528   79.404   4.4890   76.163   8.9244 3.241325 9.989792 
1 1 1    3   20   21 o  182.760   4.1180  5103.70  229.710  4849.12  340.893  5315.46  310.894  177.998   6.2746  186.425   5.4638 -8.427185 8.320063 
1 1 1    3   20   22 o  178.966   5.0573  4897.34  276.250  4489.73  743.259  4962.68  297.567  169.600   14.497  180.131   5.4123 -10.53069 15.47471 
1 1 1    3   20   23 o  285.318   7.0920 12471.55  617.610 13860.41  1622.03 12236.05  667.923  297.202   17.965  282.507   7.7461 14.69522 19.56416 
1 1 1    3   20   24 f  405.181   14.346 25459.55  1774.19 26634.37  3077.86 24874.93  2171.21  407.327   24.876  398.773   17.839 8.554047 30.61067 
1 1 1    3   20   25 o  138.290   3.3321  2921.14  140.645  3062.48  147.745  1555.69  459.220  141.592   3.4187   98.837   15.751 42.75571 16.11794 
1 1 1    3   20   26 o  151.130   3.5981  3489.35  165.974  3541.03  182.323  3239.33  401.016  152.230   3.9240  144.922   9.1123 7.307617 9.921233 
1 1 1    3   20   27 o  218.306   4.5397  7285.43  302.488  7488.20  428.475  7083.97  427.093  221.144   6.3479  215.074   6.5060 6.069748 9.089828 
1 1 1    3   20   28 o   79.767   4.3165  975.382  104.702  945.306  114.927  1122.21  253.928   78.480   4.8212   84.827   9.9997 -6.346985 11.10122 
1 1 1    3   20   29 o  298.872   7.2223 13691.66  658.842 14772.97  1321.13 13333.72  760.106  308.592   14.026  294.703   8.4503 13.88861 16.37514 
1 1 1    3   20   30 o  168.568   4.7171  4344.64  242.700  4155.57  290.751  4779.12  440.749  164.782   5.7809  176.464   8.1831 -11.68192 10.01908 
1 1 1    3   20   31 f  264.084   3.4968 10654.25  281.860 10673.99  435.366 10640.01  369.827  264.138   5.4002  263.807   4.5930 0.3302002 7.089231 
1 1 1    3   20   32 o  101.860   3.2765  1584.90  101.867  1583.20  167.306  1585.90  128.413  101.581   5.4157  101.865   4.1302 -0.2839203 6.810900 
1 1 1    3   20   33 o   95.016   3.1096  1378.98   90.183  1288.65  179.660  1409.41  104.272   91.494   6.4752   96.046   3.5569 -4.552177 7.387806 
1 1 1    3   20   34 o  233.705   16.339  8577.30  1158.19   0.0000   0.0000  8577.30  1158.19  ?   ?   233.705   16.339 0.000000 16.33948 
1 1 1    3   20   35 o  118.785   4.4462  2157.37  161.201  2184.68  174.021  1992.20  427.916  119.518   4.7704  112.726   12.656 6.791862 13.52493 
1 1 1    3   20   36 o   67.224   3.4510  692.281   70.570  691.400  105.285  693.000   95.094   67.020   5.1873   67.153   4.6685 -0.1327133 6.978759 
1 1 1    3   20   37 o  230.032   5.4189  8100.03  380.463  7979.70  770.944  8138.77  437.442  227.210   11.117  230.470   6.2185 -3.260483 12.73787 
1 1 1    3   20   38 o  244.712   3.9291  9154.44  293.471  9873.56  473.864  8707.01  373.781  253.836   6.1162  238.514   5.1344 15.32239 7.985591 
1 1 1    3   20   39 o  132.011   4.1205  2664.80  166.026  2753.24  199.583  2466.10  299.156  134.131   4.8750  126.439   7.7897 7.692093 9.189410 
1 1 1    3   20   40 f  232.058   5.5099  8249.23  390.261  8611.38  451.968  7187.94  773.710  236.970   6.2488  214.852   11.844 22.11757 13.39143 
1 1 1    3   20   41 o  132.003   5.1115  2668.45  205.944  2724.73  475.705  2655.47  228.464  131.862   11.949  131.627   5.6866 0.2350769 13.23349 
1 1 1    3   20   42 o  139.874   3.7595  2991.86  160.503  3025.00  210.891  2946.23  247.434  140.545   4.9161  138.604   5.8488 1.941788 7.640484 
1 1 1    3   20   43 f  196.021   3.9187  5878.06  234.458  6336.38  351.874  5512.11  314.426  203.254   5.6719  189.612   5.4329 13.64146 7.854150 
1 1 1    3   20   44 o  132.571   4.3622  2690.91  176.512  3192.64  482.015  2613.21  189.689  142.718   11.154  130.603   4.7585 12.11496 12.12664 
1 1 1    3   20   45 o   86.947   6.3195  1168.43  166.563  1198.59  300.999  1155.12  199.971   86.799   11.656   86.189   7.6820 0.6094971 13.95975 
1 1 1    3   20   46 o  243.759   5.5009  9125.96  409.269  9511.17  905.982  9027.19  458.746  245.888   12.072  242.227   6.2049 3.660263 13.57294 
1 1 1    3   20   47 o   26.272   10.835   36.351  140.588   77.231  211.894   4.2041  187.904   32.913   13.405   28.494   12.179 4.418230 18.11173 
1 1 1    3   20   48 f  332.718   9.1935 17272.55  933.627 20361.57  2252.73 16631.94  1025.88  344.277   21.546  325.561   10.324 18.71597 23.89215 
1 1 1    3   20   49 o  105.675   4.5996  1714.84  148.359  1015.74  328.927  1893.39  166.228   78.241   14.301  110.993   4.9067 -32.75247 15.11900 
1 1 1    3   20   50 o  228.678   7.3602  8120.07  513.729   0.0000   0.0000  8120.07  513.729  ?   ?   228.678   7.3602 0.000000 7.360250 
1 1 1    3   20   51 o   64.212   6.0302  642.650  116.801  445.467  243.812  701.383  133.064   51.360   14.766   66.975   6.5948 -15.61468 16.17156 
1 1 1    3   21    0 o  249.778   17.123  9726.28  1291.31  9726.28  1291.31  9726.28  1291.31  249.778   17.123  249.778   17.123 0.000000 0.000000 
1 1 1    3   21    1 o  232.744   11.132  8328.99  790.770  9876.11  1121.64  6800.06  1115.03  252.352   14.625  208.412   17.696 43.94003 22.95717 
1 1 1    3   21    2 o  122.795   9.6788  2328.37  359.817  3396.93  490.489  1083.26  529.460  148.265   10.915   81.637   21.097 66.62785 23.75319 
1 1 1    3   21    3 o   84.759   10.474  1120.14  265.198  1172.24  342.945  1042.63  418.264   86.170   13.481   80.399   17.538 5.770393 22.12061 
1 1 1    3   21    4 o   52.678   13.249  444.637  212.820  444.637  212.820   0.0000   0.0000   52.678   13.249  ?   ?  0.000000 13.24894 
1 1 1    3   21    5 o  264.490   11.249 10759.44  908.094  8389.39  1265.22 13277.50  1304.14  231.483   18.050  293.042   14.581 -61.55902 23.20335 
1 1 1    3   21    6 o  369.106   23.516 21585.43  2635.48 21585.43  2635.48   0.0000   0.0000  369.106   23.516  ?   ?  0.000000 23.51574 
1 1 1    3   21    7 o  184.287   13.831  5273.77  772.321  5273.77  772.321   0.0000   0.0000  184.287   13.831  ?   ?  0.000000 13.83136 
1 1 1    3   21    8 o  176.471   5.4409  4761.61  293.064  4752.86  317.150  4812.73  766.665  176.280   5.8944  175.858   14.410 0.4221649 15.56873 
1 1 1    3   21    9 o  176.010   5.8792  4738.38  315.841  4738.38  315.841   0.0000   0.0000  176.010   5.8792  ?   ?  0.000000 5.879151 
1 1 1    3   21   10 o  238.009   11.491  8719.90  834.767  8901.21  1171.58  8532.93  1189.70  238.955   16.158  233.743   16.788 5.212387 23.30054 
1 1 1    3   21   11 o  112.460   8.5319  1950.44  290.679  1851.01  390.133  2074.51  435.814  108.987   11.922  115.323   12.586 -6.335930 17.33623 
1 1 1    3   21   12 f  316.756   20.643 15813.79  1984.91   0.0000   0.0000 15813.79  1984.91  ?   ?   316.756   20.643 0.000000 20.64329 
1 1 1    3   21   13 o   64.356   13.845  664.394  263.884   0.0000   0.0000  664.394  263.884  ?   ?    64.356   13.845 0.000000 13.84481 
1 1 1    3   21   14 o  156.190   12.925  3791.38  610.650   0.0000   0.0000  3791.38  610.650  ?   ?   156.190   12.925 0.000000 12.92537 
1 1 1    3   21   15 o  313.084   20.414 15463.58  1940.09   0.0000   0.0000 15463.58  1940.09  ?   ?   313.084   20.414 0.000000 20.41393 
1 1 1    3   21   16 o   77.665   7.6152  933.185  178.197  1070.28  291.910  851.746  224.982   82.490   11.941   73.730   10.277 8.759468 15.75456 
1 1 1    3   21   17 o   95.043   12.190  1415.81  345.466  1415.81  345.466   0.0000   0.0000   95.043   12.190  ?   ?  0.000000 12.18975 
1 1 1    3   21   20 o  266.298   17.903 11142.46  1446.71   0.0000   0.0000 11142.46  1446.71  ?   ?   266.298   17.903 0.000000 17.90313 
1 1 1    3   21   21 o  266.432   6.6358 10871.66  539.632 10909.64  641.381 10779.61  998.438  266.704   7.8790  264.146   12.384 2.558197 14.67794 
1 1 1    3   21   22 o  110.688   4.3786  1872.70  147.930  1748.52  171.096  2240.39  294.416  106.919   5.2429  120.579   8.0458 -13.66055 9.603293 
1 1 1    3   21   23 o   27.507   6.8418  120.489   57.204  114.035   61.763  159.426  151.712   26.850   7.3306   34.031   11.877 -7.181166 13.95736 
1 1 1    3   21   24 o  285.732   7.2460 12514.39  631.934 13363.98  1658.93 12370.19  683.465  291.105   18.771  283.966   7.8856 7.138824 20.35982 
1 1 1    3   21   25 o  197.781   4.4639  5979.85  269.477  6154.81  373.110  5789.05  389.622  200.508   6.0966  194.410   6.5661 6.097870 8.960031 
1 1 1    3   21   26 o   97.014   3.5600  1437.88  105.415  1385.30  161.582  1476.85  139.092   94.984   5.5982   98.283   4.6367 -3.298607 7.269043 
1 1 1    3   21   27 o  218.180   4.6189  7277.95  307.591  7394.33  420.245  7143.65  451.425  219.750   6.2655  215.922   6.8497 3.827682 9.283054 
1 1 1    3   21   28 o  225.372   5.5960  7772.43  384.943  7417.79  1181.28  7814.56  407.169  216.768   18.017  225.947   5.9041 -9.178833 18.96005 
1 1 1    3   21   29 o  136.868   3.3017  2861.55  137.928  3087.62  205.663  2676.76  185.945  142.099   4.7418  132.315   4.6042 9.784378 6.609393 
1 1 1    3   21   30 o  289.713   8.1163 12884.40  717.699 12734.56  791.176 13580.56  1705.35  287.830   9.0058  292.983   19.176 -5.153473 21.18540 
1 1 1    3   21   31 o   84.990   13.070  1144.25  328.187   0.0000   0.0000  1144.25  328.187  ?   ?    84.990   13.070 0.000000 13.07002 
1 1 1    3   21   33 o   62.149   4.9381  594.575   92.901  594.315   97.789  596.981  297.561   62.105   5.2068   60.695   15.879 1.410137 16.71131 
1 1 1    3   21   34 o  195.074   7.2108  5838.17  429.338  6186.88  616.222  5509.21  598.517  200.056   10.125  188.677   10.434 11.37854 14.53854 
1 1 1    3   21   35 o  115.399   4.0098  2035.81  141.234  2074.72  165.517  1931.58  270.857  116.462   4.6563  111.844   7.9869 4.618401 9.245069 
1 1 1    3   21   36 o   41.130   3.9195  260.961   48.611  281.539   83.731  250.499   59.702   42.334   6.7034   40.154   4.9780 2.179680 8.349657 
1 1 1    3   21   37 o  104.899   2.5369  1680.60   81.227  1493.90  160.963  1744.38   94.084   98.625   5.3673  106.859   2.8846 -8.234009 6.093374 
1 1 1    3   21   38 o   65.108   4.5896  651.838   90.623  698.990  340.965  648.254   94.004   65.297   16.957   64.907   4.7786 0.3907013 17.61744 
1 1 1    3   21   39 o  177.607   3.3714  4821.38  182.761  5427.37  292.970  4435.33  233.840  188.252   5.0988  170.246   4.5001 18.00645 6.800641 
1 1 1    3   21   40 o   71.905   3.7740  792.840   82.538  748.888  115.665  838.445  117.818   69.686   5.4822   73.788   5.2659 -4.101341 7.601638 
1 1 1    3   21   41 o   73.958   8.9580  857.105  198.091  1205.98  346.235  687.333  241.527   86.719   13.522   65.270   12.580 21.44865 18.46876 
1 1 1    3   21   42 o  146.615   4.5741  3292.29  204.691  3376.18  233.953  3018.47  422.686  148.398   5.1652  139.103   10.023 9.295273 11.27533 
1 1 1    3   21   43 o   52.817   4.6953  430.839   74.904  632.138  254.192  411.697   78.385   62.118   13.769   51.573   5.0442 10.54522 14.66341 
1 1 1    3   21   44 o   39.831   5.0213  247.192   59.689  365.670  231.625  238.765   61.776   47.690   14.570   39.086   5.3161 8.603390 15.50951 
1 1 1    3   21   45 o  108.457   10.590  1858.13  346.110  2361.93  788.264  1737.80  385.231  115.936   23.087  104.223   12.350 11.71336 26.18289 
1 1 1    3   21   46 o   47.213   15.139  356.951  247.086  356.951  247.086   0.0000   0.0000   47.213   15.139  ?   ?  0.000000 15.13944 
1 1 1    3   21   47 o  118.461   4.4857  2154.03  162.190  2419.17  445.249  2113.46  174.156  122.857   12.028  117.281   4.8651 5.575645 12.97466 
1 1 1    3   21   48 o   85.643   6.0557  1137.80  157.277  1125.48  163.936  1280.20  557.486   85.106   6.3568   84.052   21.610 1.054337 22.52589 
1 1 1    3   21   49 o  135.937   12.965  3005.29  531.399  3005.29  531.399   0.0000   0.0000  135.937   12.965  ?   ?  0.000000 12.96474 
1 1 1    3   22    0 o  508.863   31.664 41130.56  4874.34 41130.56  4874.34 41130.56  4874.34  508.863   31.664  508.863   31.664 0.000000 0.000000 
1 1 1    3   22    1 o  420.732   17.847 27615.39  2291.88 33223.84  3244.51 22029.76  3237.90  457.457   23.314  368.305   29.039 89.15182 37.23982 
1 1 1    3   22    2 o  316.981   13.736 15536.41  1328.94 20915.53  1883.36 10202.22  1875.48  366.587   16.832  252.187   24.682 114.4002 29.87486 
1 1 1    3   22    3 o  208.499   15.191  6775.65  960.114  6775.65  960.114   0.0000   0.0000  208.499   15.191  ?   ?  0.000000 15.19148 
1 1 1    3   22    4 o  183.272   9.1140  5156.08  509.825  2922.96  695.761  7745.43  749.204  135.987   17.144  224.338   10.942 -88.35114 20.33783 
1 1 1    3   22    5 o  337.603   14.903 17668.28  1535.69 16447.03  2164.61 18905.90  2179.06  322.038   22.157  346.172   20.719 -24.13339 30.33453 
1 1 1    3   22    6 o  324.385   21.011 16627.58  2069.15 16627.58  2069.15   0.0000   0.0000  324.385   21.011  ?   ?  0.000000 21.01135 
1 1 1    3   22    7 o  137.624   8.7790  2918.18  366.848  2401.87  477.866  3659.12  572.455  124.086   12.801  153.528   12.320 -29.44169 17.76657 
1 1 1    3   22    8 o  350.343   22.735 19508.22  2417.96   0.0000   0.0000 19508.22  2417.96  ?   ?   350.343   22.735 0.000000 22.73487 
1 1 1    3   22   10 o  230.023   16.631  8281.15  1159.76   0.0000   0.0000  8281.15  1159.76  ?   ?   230.023   16.631 0.000000 16.63091 
1 1 1    3   22   11 o   66.297   16.973  711.147  344.911   0.0000   0.0000  711.147  344.911  ?   ?    66.297   16.973 0.000000 16.97251 
1 1 1    3   22   12 o  145.769   12.630  3306.03  556.391   0.0000   0.0000  3306.03  556.391  ?   ?   145.769   12.630 0.000000 12.63021 
1 1 1    3   22   13 o   52.645   4.2655  426.329   67.951  445.139   71.003  221.491  234.305   53.792   4.3621   40.992   14.717 12.80000 15.35030 
1 1 1    3   22   14 o  353.671   9.2658 19218.39  1000.22 19008.46  1099.75 20223.27  2406.10  351.469   10.252  356.539   22.221 -5.069183 24.47142 
1 1 1    3   22   15 o  309.944   8.3151 14741.80  786.623 14521.13  864.451 15804.37  1896.95  307.424   9.2127  316.353   19.744 -8.929565 21.78782 
1 1 1    3   22   16 f   83.992   4.1190  1078.10  105.596  1107.52  112.747  868.030  301.292   85.012   4.3599   73.681   13.907 11.33042 14.57441 
1 1 1    3   22   17 o   78.431   7.3663  951.179  174.275  861.685  293.762  999.782  216.486   73.461   13.602   80.179   9.0017 -6.717484 16.31122 
1 1 1    3   22   18 o  131.429   7.1995  2655.33  287.710  2825.39  487.698  2564.55  356.319  134.749   11.983  128.871   9.1176 5.877777 15.05729 
1 1 1    3   22   19 o  263.240   12.339 10710.70  991.421  9937.05  1402.92 11482.52  1401.25  250.988   18.442  270.510   17.059 -19.52209 25.12196 
1 1 1    3   22   20 o   29.397   12.528  -0.0001  197.734   0.0000   0.0000  -0.0001  197.734  ?   ?    29.397   12.528 0.000000 12.52767 
1 1 1    3   22   21 o   67.263   13.720  726.175  272.136   0.0000   0.0000  726.175  272.136  ?   ?    67.263   13.720 0.000000 13.72031 
1 1 1    3   22   22 o   77.816   13.070  962.125  299.430   0.0000   0.0000  962.125  299.430  ?   ?    77.816   13.070 0.000000 13.07030 
1 1 1    3   22   23 o   71.224   4.2066  778.066   91.042  819.657   96.758  456.913  268.871   73.097   4.3566   53.584   15.535 19.51248 16.13461 
1 1 1    3   22   24 o  419.081   10.228 27047.16  1308.33 27586.81  1439.47 24483.59  3137.38  422.880   11.152  387.964   26.656 34.91650 28.89534 
1 1 1    3   22   25 o  261.615   6.4448 10483.16  514.623 10662.50  611.249 10046.59  953.711  263.657   7.5956  254.901   12.258 8.756348 14.42075 
1 1 1    3   22   26 o  226.035   6.2525  7824.29  431.369  7900.79  468.593  7399.31  1104.39  227.071   6.7611  216.882   16.815 10.18872 18.12303 
1 1 1    3   22   27 o  144.975   8.0358  3235.98  354.188  3609.88  460.537  2694.61  554.149  152.806   9.9281  130.998   14.080 21.80826 17.22867 
1 1 1    3   22   28 o  229.470   16.214  8268.77  1128.30   0.0000   0.0000  8268.77  1128.30  ?   ?   229.470   16.214 0.000000 16.21394 
1 1 1    3   22   29 o   85.487   13.485  1160.60  340.186   0.0000   0.0000  1160.60  340.186  ?   ?    85.487   13.485 0.000000 13.48467 
1 1 1    3   22   30 o  214.467   6.2628  7046.51  409.965  6986.64  449.212  7344.92  1002.88  213.468   6.8945  216.419   15.281 -2.950836 16.76390 
1 1 1    3   22   31 o  312.938   7.5677 15032.17  722.834 14745.78  1896.89 15080.82  781.823  303.770   20.580  313.292   8.1760 -9.522186 22.14480 
1 1 1    3   22   32 o  157.137   3.3549  3772.77  160.907  3677.35  207.491  3916.73  254.856  155.072   4.3838  159.972   5.2196 -4.899933 6.816262 
1 1 1    3   22   33 o  256.181   4.2002 10035.21  328.422 10120.00  430.271  9916.86  508.348  257.084   5.4834  254.311   6.5491 2.773071 8.541542 
1 1 1    3   22   34 o   97.757   2.8153  1459.75   84.001  1432.23  111.543  1495.81  127.675   96.795   3.7755   98.899   4.2296 -2.104462 5.669525 
1 1 1    3   22   35 o   87.357   2.9886  1165.90   79.688  1344.10  179.208  1121.98   88.967   93.407   6.3230   85.682   3.4019 7.724861 7.180095 
1 1 1    3   22   36 o  186.759   3.7937  5332.92  216.250  5974.18  313.101  4747.99  299.032  197.508   5.1938  176.030   5.5656 21.47766 7.612589 
1 1 1    3   22   37 o  268.637   5.1955 11054.58  426.003 11752.90  607.337 10378.25  597.696  276.518   7.1960  259.753   7.5388 16.76431 10.42188 
1 1 1    3   22   38 o  220.043   5.8049  7426.38  389.870  8591.96  843.518  7109.74  439.648  234.568   11.820  215.124   6.6958 19.44458 13.58447 
1 1 1    3   22   39 o  234.567   4.3971  8423.00  314.808  8307.33  470.530  8516.74  423.575  232.493   6.6307  235.579   5.8908 -3.086105 8.869507 
1 1 1    3   22   40 o   21.098   6.5632   67.983   46.760  125.135   77.227   34.903   58.754   28.256   8.3643   18.734   7.2382 9.521973 11.06137 
1 1 1    3   22   41 o  212.954   4.3550  6945.89  283.068  6816.78  753.038  6967.13  305.471  208.237   11.897  213.217   4.6939 -4.979385 12.78973 
1 1 1    3   22   42 o   88.350   5.4866  1203.33  147.222  1430.44  744.953  1194.10  150.184   89.230   25.856   87.987   5.6216 1.243019 26.45997 
1 1 1    3   22   43 o  135.053   12.612  2909.17  513.868   0.0000   0.0000  2909.17  513.868  ?   ?   135.053   12.612 0.000000 12.61207 
1 1 1    3   22   44 o   93.538   8.8197  1373.52  248.831  1594.66  370.184  1191.25  336.082   99.556   12.455   85.535   13.306 14.02114 18.22547 
1 1 1    3   22   45 o   86.588   22.236  1351.94  590.707   0.0000   0.0000  1351.94  590.707  ?   ?    86.588   22.236 0.000000 22.23551 
1 1 1    3   22   46 o  103.671   4.8811  1652.51  154.451  1789.75  217.645  1513.29  219.217  107.344   6.6759   98.486   7.3454 8.858078 9.925891 
1 1 1    3   22   47 o  110.675   12.666  1992.93  420.173  1992.93  420.173   0.0000   0.0000  110.675   12.666  ?   ?  0.000000 12.66646 
1 1 1    3   23    0 o  255.168   17.635 10178.71  1358.43 10178.71  1358.43 10178.71  1358.43  255.168   17.635  255.168   17.635 0.000000 0.000000 
1 1 1    3   23    1 o  373.456   16.512 21744.70  1882.20 21394.37  2662.12 22094.88  2661.55  365.488   23.997  371.744   23.579 -6.255829 33.64269 
1 1 1    3   23    2 o  288.789   12.798 12893.16  1128.11 18055.54  1599.25  7780.28  1591.56  340.779   15.375  219.632   24.140 121.1473 28.62061 
1 1 1    3   23    4 o  292.761   19.636 13537.70  1744.50   0.0000   0.0000 13537.70  1744.50  ?   ?   292.761   19.636 0.000000 19.63649 
1 1 1    3   23    5 o  336.811   22.040 18054.59  2253.23   0.0000   0.0000 18054.59  2253.23  ?   ?   336.811   22.040 0.000000 22.03957 
1 1 1    3   23    7 o  162.122   15.453  4123.63  755.384   0.0000   0.0000  4123.63  755.384  ?   ?   162.122   15.453 0.000000 15.45251 
1 1 1    3   23    8 o  162.524   9.6648  4075.90  477.269  3900.89  624.622  4321.41  739.830  158.264   13.047  166.186   14.738 -7.922104 19.68347 
1 1 1    3   23    9 o  260.786   12.104 10504.45  963.476  9885.46  1333.59 11180.32  1393.51  250.784   17.533  266.916   17.196 -16.13239 24.55815 
1 1 1    3   23   10 o  336.946   14.849 17643.93  1527.11 16716.01  2144.74 18598.11  2174.89  323.964   21.817  342.354   20.914 -18.39047 30.22207 
1 1 1    3   23   11 o   60.093   10.014  570.306  177.206  770.406  246.464  356.162  254.966   69.672   12.024   48.248   15.369 21.42416 19.51404 
1 1 1    3   23   12 o  227.429   11.053  7975.14  767.280  7887.17  1082.55  8063.95  1087.67  224.421   15.907  226.973   15.799 -2.551392 22.41942 
1 1 1    3   23   13 o  146.595   8.8756  3313.47  395.261  3681.35  556.516  2938.99  561.483  153.937   11.938  137.057   13.602 16.88008 18.09752 
1 1 1    3   23   14 o  227.645   11.089  7992.00  770.524  8188.30  1088.43  7794.79  1090.94  228.732   15.685  222.982   16.138 5.750183 22.50497 
1 1 1    3   23   15 o   97.228   8.4557  1462.35  248.435  1270.26  347.639  1662.85  355.162   89.674   13.087  103.185   11.471 -13.51100 17.40250 
1 1 1    3   23   16 o  319.499   14.408 15859.60  1405.02 15755.61  1986.77 15963.64  1987.22  314.839   20.792  317.004   20.651 -2.164337 29.30480 
1 1 1    3   23   17 o  132.714   8.6555  2716.84  348.695  2743.17  494.860  2690.89  491.415  132.634   12.367  131.345   12.405 1.288574 17.51600 
1 1 1    3   23   18 o  100.548   4.1693  1545.25  127.955  1607.92  137.735  1150.37  345.744  102.558   4.4001   85.083   13.785 17.47545 14.47049 
1 1 1    3   23   19 o  134.417   4.9115  2763.25  201.504  2676.01  218.996  3244.84  514.543  132.247   5.4254  144.474   11.771 -12.22626 12.96102 
1 1 1    3   23   20 f  215.463   6.3096  7109.83  414.947  6992.62  454.855  7691.25  1013.04  213.596   6.9769  221.800   15.053 -8.204041 16.59138 
1 1 1    3   23   21 o  176.748   13.810  4876.37  739.117   0.0000   0.0000  4876.37  739.117  ?   ?   176.748   13.810 0.000000 13.81037 
1 1 1    3   23   24 o  190.310   14.584  5667.04  840.677   0.0000   0.0000  5667.04  840.677  ?   ?   190.310   14.584 0.000000 14.58372 
1 1 1    3   23   25 f  109.945   13.187  1900.41  433.701   0.0000   0.0000  1900.41  433.701  ?   ?   109.945   13.187 0.000000 13.18721 
1 1 1    3   23   26 o  215.947   10.795  7197.14  711.537   0.0000   0.0000  7197.14  711.537  ?   ?   215.947   10.795 0.000000 10.79526 
1 1 1    3   23   27 o  176.198   5.6100  4752.80  301.704   0.0000   0.0000  4752.80  301.704  ?   ?   176.198   5.6100 0.000000 5.610005 
1 1 1    3   23   28 o  296.754   7.3054 13513.34  661.695 14034.27  1740.62 13425.34  715.403  297.046   19.303  295.643   7.9281 1.403412 20.86769 
1 1 1    3   23   29 o   98.156   3.5105  1472.28  105.172  1442.64  171.576  1490.12  133.111   96.877   5.8297   98.711   4.4181 -1.833229 7.314675 
1 1 1    3   23   30 o  123.512   3.6564  2331.58  137.842  2378.83  144.613  1862.16  455.806  124.750   3.7980  108.421   14.108 16.32919 14.61022 
1 1 1    3   23   31 o  226.658   3.9835  7854.70  275.583  7744.70  351.768  8029.49  443.424  224.929   5.1238  228.841   6.3485 -3.911880 8.158207 
1 1 1    3   23   32 o  176.021   3.7595  4736.58  201.983  5699.30  321.840  4111.01  259.436  192.897   5.4663  163.858   5.1873 29.03917 7.535874 
1 1 1    3   23   33 o  123.856   4.8544  2348.21  183.512  2505.64  240.124  2127.14  284.544  127.823   6.1548  117.313   7.9944 10.50998 10.08913 
1 1 1    3   23   34 o   78.685   3.8377  946.769   92.169  973.944  103.239  840.044  204.593   79.675   4.2607   73.179   9.3753 6.495483 10.29808 
1 1 1    3   23   35 o  308.018   5.9989 14554.62  563.981 15761.30  801.878 13373.40  793.371  319.806   8.2149  294.364   8.8303 25.44217 12.06065 
1 1 1    3   23   36 o   85.550   4.3515  1123.08  113.252  961.464  351.920  1141.76  119.615   76.675   15.569   86.237   4.5606 -9.561943 16.22322 
1 1 1    3   23   37 o   76.664   3.1807  898.473   74.426  1000.41  114.831  824.628   97.733   80.683   4.6831   73.260   4.3910 7.422691 6.419701 
1 1 1    3   23   38 o   88.691   2.7474  1202.09   74.373  1255.26  126.128  1173.75   92.085   90.406   4.5859   87.605   3.4438 2.800720 5.734988 
1 1 1    3   23   39 o  134.683   4.5437  2779.58  186.784  3487.74  481.622  2654.21  202.644  149.160   10.649  131.548   5.0470 17.61200 11.78424 
1 1 1    3   23   40 o   73.008   4.3813  819.740   97.181  1176.68  355.679  790.944  101.025   84.966   14.217   71.676   4.6428 13.29067 14.95615 
1 1 1    3   23   41 o   78.844   10.420  988.773  244.617  1072.21  735.411  978.393  259.387   77.799   26.181   78.186   11.188 -0.3869629 28.47106 
1 1 1    3   23   42 o   73.111   5.8168  828.118  128.730   0.0000   0.0000  828.118  128.730  ?   ?    73.111   5.8168 0.000000 5.816787 
1 1 1    3   23   43 o   79.901   3.6219  978.011   88.330  1035.86  720.699  977.129   89.001   75.450   25.912   79.862   3.6512 -4.411659 26.16832 
1 1 1    3   23   44 o  161.244   4.4611  3992.97  219.556  4195.86  321.249  3815.13  300.762  164.746   6.3887  157.130   6.2711 7.615372 8.952210 
1 1 1    3   24    3 o  207.189   15.244  6717.44  957.220  6717.44  957.220   0.0000   0.0000  207.189   15.244  ?   ?  0.000000 15.24367 
1 1 1    3   24    4 o  246.354   17.050  9538.33  1274.17  9538.33  1274.17   0.0000   0.0000  246.354   17.050  ?   ?  0.000000 17.05029 
1 1 1    3   24    5 o  249.178   12.233  9599.59  930.395 10428.16  1303.49  8739.05  1328.41  257.796   16.655  235.069   18.669 22.72635 25.01808 
1 1 1    3   24    6 o  210.166   8.8587  6787.26  568.262  6570.08  960.320  6904.28  704.929  204.799   15.477  211.311   10.967 -6.511917 18.96901 
1 1 1    3   24    7 o  210.973   11.428  6890.05  733.163  7327.22  1023.81  6429.88  1050.40  216.286   15.614  201.977   17.203 14.30864 23.23176 
1 1 1    3   24    8 o  203.296   15.866  6483.64  976.670  6483.64  976.670   0.0000   0.0000  203.296   15.866  ?   ?  0.000000 15.86551 
1 1 1    3   24    9 o  176.467   10.943  4820.60  586.523  5635.25  814.870  3944.84  844.880  189.985   14.154  157.640   17.875 32.34447 22.80059 
1 1 1    3   24   10 o  302.824   13.636 14226.14  1260.35 13440.33  1773.05 15028.75  1791.91  290.973   20.087  308.296   19.137 -17.32327 27.74409 
1 1 1    3   24   11 o  220.464   15.615  7614.01  1043.95  7614.01  1043.95   0.0000   0.0000  220.464   15.615  ?   ?  0.000000 15.61508 
1 1 1    3   24   12 o   74.839   9.2262  873.980  206.289  1081.46  284.834  645.097  299.166   82.915   11.570   63.109   15.616 19.80677 19.43536 
1 1 1    3   24   13 o  163.164   9.2897  4107.23  460.723  4364.85  648.707  3845.03  654.453  167.429   12.791  156.818   13.814 10.61069 18.82643 
1 1 1    3   24   14 o  133.178   4.7555  2712.28  193.307  2691.21  209.423  2833.60  502.504  132.635   5.1731  134.801   12.350 -2.165955 13.39011 
1 1 1    3   24   15 o  440.146   11.210 29899.91  1505.92 29791.48  1656.70 30415.56  3612.88  438.813   12.369  431.177   27.597 7.636200 30.24254 
1 1 1    3   24   16 o  126.456   4.8015  2445.53  185.327  2361.71  200.626  2933.04  483.869  124.243   5.2905  137.315   11.655 -13.07269 12.79958 
1 1 1    3   24   17 o  182.483   5.4277  5095.60  302.313  5177.92  330.434  4672.81  748.873  183.908   5.8866  172.815   14.327 11.09271 15.48886 
1 1 1    3   24   18 o  176.738   13.879  4879.58  742.698  4879.58  742.698   0.0000   0.0000  176.738   13.879  ?   ?  0.000000 13.87947 
1 1 1    3   24   19 o  264.834   17.999 11071.81  1446.26 11071.81  1446.26   0.0000   0.0000  264.834   17.999  ?   ?  0.000000 17.99864 
1 1 1    3   24   20 o  148.612   13.080  3449.97  587.265  3449.97  587.265   0.0000   0.0000  148.612   13.080  ?   ?  0.000000 13.08013 
1 1 1    3   24   21 o  114.118   9.6909  2019.41  334.357  2551.03  446.423  1340.18  504.608  127.971   11.554   90.614   18.858 37.35623 22.11634 
1 1 1    3   24   22 o  151.727   14.303  3613.37  654.548   0.0000   0.0000  3613.37  654.548  ?   ?   151.727   14.303 0.000000 14.30270 
1 1 1    3   24   23 o   80.388   13.547  1030.32  320.584   0.0000   0.0000  1030.32  320.584  ?   ?    80.388   13.547 0.000000 13.54735 
1 1 1    3   24   24 o   54.039   5.0072  450.610   81.649   0.0000   0.0000  450.610   81.649  ?   ?    54.039   5.0072 0.000000 5.007170 
1 1 1    3   24   25 o  100.967   4.7453  1559.49  146.237   0.0000   0.0000  1559.49  146.237  ?   ?   100.967   4.7453 0.000000 4.745289 
1 1 1    3   24   26 o  172.719   5.5012  4567.83  290.014   0.0000   0.0000  4567.83  290.014  ?   ?   172.719   5.5012 0.000000 5.501248 
1 1 1    3   24   27 o  111.229   3.0391  1890.07  103.177  1834.30  136.453  1964.53  157.662  109.529   4.0817  113.324   4.5581 -3.794991 6.118548 
1 1 1    3   24   28 o  140.747   3.0417  3026.51  130.671  3393.66  175.669  2571.74  195.512  148.990   3.8630  129.626   4.9416 19.36407 6.272305 
1 1 1    3   24   29 f  254.306   4.8949  9899.01  379.941 10074.64  419.221  9091.41  898.991  256.477   5.3552  241.547   12.234 14.93042 13.35440 
1 1 1    3   24   30 o  140.231   3.8672  3006.90  165.522  3292.02  269.167  2833.51  209.901  146.526   6.0185  136.034   5.0553 10.49231 7.859949 
1 1 1    3   24   31 f  236.607   4.3715  8565.98  315.699  8830.12  361.875  7724.54  645.870  240.140   4.9372  223.611   9.4631 16.52975 10.67364 
1 1 1    3   24   32 o  197.271   4.1157  5953.60  247.812  6565.32  369.277  5452.42  334.253  206.900   5.8476  188.556   5.8079 18.34354 8.241693 
1 1 1    3   24   33 o  159.010   3.3281  3865.22  161.525  4002.35  269.790  3788.61  201.661  161.571   5.4707  157.346   4.1990 4.224854 6.896428 
1 1 1    3   24   34 f  277.267   7.0147 11827.32  593.645 12273.45  1556.23 11751.35  642.206  275.315   18.629  276.177   7.6185 -0.8613586 20.12663 
1 1 1    3   24   35 f  225.262   3.9574  7765.39  272.095  8454.54  484.697  7448.28  328.790  234.421   6.7742  220.455   4.8863 13.96649 8.352564 
1 1 1    3   24   36 o   70.355   2.9716  756.677   63.813  670.050  108.350  802.681   78.959   65.854   5.4392   72.435   3.5714 -6.580658 6.506865 
1 1 1    3   24   37 o  100.287   9.7507  1579.01  294.695  1767.75  886.259  1555.55  312.476   98.074   28.139   99.324   10.465 -1.250885 30.02210 
1 1 1    3   24   38 o   28.027   11.936   7.9688  179.295 -145.6937  790.697   16.298  184.090   52.818   23.685   28.699   12.153 24.11957 26.62084 
1 1 1    3   24   39 o  131.869   4.7944  2669.14  192.971  2980.47  455.262  2600.95  213.058  137.301   10.955  130.080   5.3662 7.220963 12.19846 
1 1 1    3   24   40 o   65.461   6.2069  666.620  122.534  1177.88  351.710  595.992  130.723   84.613   14.116   61.684   7.0710 22.92915 15.78793 
1 1 1    3   24   41 o  106.868   7.7144  1782.80  249.941  2029.54  403.421  1629.09  318.415  112.385   11.944  101.182   10.461 11.20325 15.87748 
1 1 1    3   24   42 o   76.468   13.066  963.851  294.012  969.866  349.797  949.374  542.680   75.580   15.677   72.224   22.341 3.356125 27.29293 
1 1 1    3   25    0 o  156.690   14.032  3862.59  658.697  3862.59  658.697  3862.59  658.697  156.690   14.032  156.690   14.032 0.000000 0.000000 
1 1 1    3   25    1 o  306.194   14.053 14566.09  1313.40  5090.18  1857.19 24046.79  1857.66  169.841   36.882  392.665   15.500 -222.8237 40.00696 
1 1 1    3   25    2 f  684.410   30.430 77531.05  6356.82 80775.22  8992.96 74291.28  8986.85  669.361   44.267  636.755   46.563 32.60577 64.24725 
1 1 1    3   25    3 o  549.507   20.490 47849.83  3436.60 67928.39  4871.23 27953.98  4849.02  649.489   24.573  398.082   40.471 251.4063 47.34688 
1 1 1    3   25    4 o  506.372   33.360 43240.99  5127.15 43240.99  5127.15   0.0000   0.0000  506.372   33.360  ?   ?  0.000000 33.36018 
1 1 1    3   25    5 o  375.169   24.534 22744.45  2793.89 22744.45  2793.89   0.0000   0.0000  375.169   24.534  ?   ?  0.000000 24.53371 
1 1 1    3   25    6 o  464.117   20.259 34111.02  2869.88 32114.52  4052.53 36119.59  4064.76  439.700   30.383  468.603   28.556 -28.90295 41.69555 
1 1 1    3   25    7 o  489.049   21.391 38035.70  3192.95 42034.95  4517.04 34041.85  4513.99  504.408   29.468  449.275   33.152 55.13336 44.35550 
1 1 1    3   25    8 o  312.587   20.970 15576.05  1989.12 15576.05  1989.12   0.0000   0.0000  312.587   20.970  ?   ?  0.000000 20.96996 
1 1 1    3   25    9 o  100.981   12.252  1599.85  369.889  2027.62  528.100  1187.90  518.242  112.970   15.744   85.001   20.262 27.96931 25.65934 
1 1 1    3   25   10 f  302.532   13.770 14213.48  1271.50 15707.74  1809.35 12755.61  1787.19  315.135   18.898  282.784   20.853 32.35114 28.14246 
1 1 1    3   25   11 o  102.206   8.6562  1616.59  267.499  1713.69  371.529  1512.08  385.457  104.643   11.841   97.898   13.240 6.745659 17.76188 
1 1 1    3   25   12 f  336.875   9.6453 17470.27  991.753 17470.27  991.753   0.0000   0.0000  336.875   9.6453  ?   ?  0.000000 9.645338 
1 1 1    3   25   13 f  182.491   6.0496  5100.00  336.966  5100.00  336.966   0.0000   0.0000  182.491   6.0496  ?   ?  0.000000 6.049606 
1 1 1    3   25   14 o   87.541   4.6118  1175.14  122.791  1175.14  122.791   0.0000   0.0000   87.541   4.6118  ?   ?  0.000000 4.611840 
1 1 1    3   25   15 o   98.246   4.9687  1480.31  148.512  1480.31  148.512   0.0000   0.0000   98.246   4.9687  ?   ?  0.000000 4.968732 
1 1 1    3   25   16 o  317.688   20.947 16124.41  2019.77 16124.41  2019.77   0.0000   0.0000  317.688   20.947  ?   ?  0.000000 20.94727 
1 1 1    3   25   17 o  179.969   14.012  5067.98  763.594  5067.98  763.594   0.0000   0.0000  179.969   14.012  ?   ?  0.000000 14.01153 
1 1 1    3   25   18 o  154.728   9.1828  3697.48  431.730  3790.85  612.029  3604.99  609.099  155.766   12.992  151.794   13.280 3.971954 18.57813 
1 1 1    3   25   19 o  309.172   20.508 15279.63  1924.26   0.0000   0.0000 15279.63  1924.26  ?   ?   309.172   20.508 0.000000 20.50781 
1 1 1    3   25   20 o  321.153   21.240 16552.68  2070.30   0.0000   0.0000 16552.68  2070.30  ?   ?   321.153   21.240 0.000000 21.24045 
1 1 1    3   25   21 o  182.730   14.198  5236.45  785.639   0.0000   0.0000  5236.45  785.639  ?   ?   182.730   14.198 0.000000 14.19771 
1 1 1    3   25   22 o  193.735   10.057  5807.76  592.632  6062.40  849.966  5566.85  826.733  196.606   14.261  188.273   14.498 8.333389 20.33660 
1 1 1    3   25   23 o   95.206   4.3149  1386.27  125.386  1206.62  379.492  1408.29  132.847   86.687   14.879   95.948   4.5363 -9.261467 15.55475 
1 1 1    3   25   24 o  262.567   7.1793 10585.95  575.358 10725.40  1403.16 10557.76  630.830  259.691   17.810  262.051   7.8870 -2.360626 19.47822 
1 1 1    3   25   25 o   82.017   4.6693  1032.67  116.404   0.0000   0.0000  1032.67  116.404  ?   ?    82.017   4.6693 0.000000 4.669258 
1 1 1    3   25   26 o  230.196   16.389  8404.28  1143.96   0.0000   0.0000  8404.28  1143.96  ?   ?   230.196   16.389 0.000000 16.38861 
1 1 1    3   25   27 o   96.808   12.912  1486.17  372.010   0.0000   0.0000  1486.17  372.010  ?   ?    96.808   12.912 0.000000 12.91194 
1 1 1    3   25   28 o  141.262   7.1386  3074.90  306.794  3028.10  498.160  3103.50  389.401  139.014   11.854  141.506   9.0634 -2.491913 14.92185 
1 1 1    3   25   29 o   26.137   7.5370  107.399   63.437  109.289   68.073   94.927  174.901   26.464   7.8573   31.662   12.417 -5.197660 14.69414 
1 1 1    3   25   30 o   61.320   4.8224  579.462   89.529  576.232   96.032  600.918  247.499   61.100   5.1988   60.719   13.682 0.3802643 14.63682 
1 1 1    3   25   31 o   42.028   5.2533  274.963   65.916  229.169  266.453  277.948   68.031   42.218   15.612   42.235   5.4010 -0.1707458E-01 16.52020 
1 1 1    3   25   32 o   34.650   5.3581  188.423   54.837   66.952  272.482  193.551   55.983   36.230   15.024   35.121   5.3949 1.108482 15.96352 
1 1 1    3   25   33 o   65.960   3.3182  667.026   66.590  624.173   99.738  701.492   89.446   63.582   5.1845   67.536   4.3625 -3.954586 6.775721 
1 1 1    3   25   34 o  135.760   4.5014  2824.50  186.525  2901.28  210.205  2540.12  404.522  137.525   5.0077  127.168   10.516 10.35735 11.64772 
1 1 1    3   25   35 o  143.758   5.0807  3172.14  222.930  3911.44  1015.46  3134.70  228.505  150.461   22.828  142.881   5.2397 7.579971 23.42195 
1 1 1    3   25   36 o   42.089   8.4418  284.455  104.674  318.341  846.586  283.929  105.484   61.814   26.114   42.035   8.5134 19.77859 27.46627 
1 1 1    3   25   37 o  164.697   8.8692  4237.89  444.206  5895.50  1048.34  3875.15  490.406  187.451   18.567  156.835   10.302 30.61603 21.23375 
1 1 1    3   25   38 o   31.361   12.778   71.526  192.641   61.499  798.749   72.145  198.501   55.279   24.350   31.748   12.958 23.53115 27.58307 
1 1 1    3   25   39 o  150.116   5.2547  3469.05  240.762  3481.00  955.211  3468.24  248.795  138.513   23.429  150.054   5.4322 -11.54091 24.05087 
1 1 1    3   26    0 o  194.984   15.972  5973.75  935.876  5973.75  935.876  5973.75  935.876  194.984   15.972  194.984   15.972 0.000000 0.000000 
1 1 1    3   26    1 o  277.515   13.168 11952.02  1115.37 13775.03  1580.04 10141.27  1574.71  295.531   17.596  251.850   20.667 43.68088 27.14349 
1 1 1    3   26    2 o  145.031   10.763  3263.53  473.055  3500.14  669.051  3026.99  668.950  149.142   14.897  138.217   16.162 10.92493 21.97997 
1 1 1    3   26    3 o  208.587   11.178  6739.57  709.062  3649.87  999.872  9865.29  1005.68  149.534   22.613  251.810   13.130 -102.2760 26.14907 
1 1 1    3   26    4 o  310.769   14.277 15033.30  1354.21 13696.93  1907.48 16391.35  1922.90  292.330   21.530  321.132   19.713 -28.80136 29.19149 
1 1 1    3   26    5 o  377.805   16.940 22398.49  1953.43 22972.93  2760.31 21822.17  2764.83  376.695   24.135  366.464   24.866 10.23160 34.65219 
1 1 1    3   26    6 o  225.200   11.864  7868.15  812.638  7910.92  1139.87  7823.94  1158.85  223.999   16.794  222.589   17.190 1.410294 24.03253 
1 1 1    3   26    7 o  452.555   19.961 32493.97  2757.17 31202.91  3896.79 33788.28  3901.68  432.863   29.674  452.044   28.423 -19.18118 41.09002 
1 1 1    3   26    8 o  504.515   33.599 43356.63  5144.31 43356.63  5144.31   0.0000   0.0000  504.515   33.599  ?   ?  0.000000 33.59902 
1 1 1    3   26    9 o  328.882   22.019 17379.51  2197.51 17379.51  2197.51   0.0000   0.0000  328.882   22.019  ?   ?  0.000000 22.01862 
1 1 1    3   26   10 o  378.931   25.002 23389.13  2875.43 23389.13  2875.43   0.0000   0.0000  378.931   25.002  ?   ?  0.000000 25.00190 
1 1 1    3   26   11 o  183.439   4.2837  5145.04  239.844  5781.05  263.641  2091.30  577.688  194.433   4.4425  114.214   17.097 80.21862 17.66482 
1 1 1    3   26   12 o  175.213   5.1096  4697.85  273.254  4910.27  299.738  3652.64  664.880  179.093   5.4834  152.413   14.466 26.67999 15.47006 
1 1 1    3   26   13 o   36.970   5.4804  213.764   59.969  221.658   61.825   88.193  246.596   37.650   5.5461   35.809   14.507 1.841274 15.53079 
1 1 1    3   26   14 o  286.560   13.185 12766.04  1153.24 11975.64  1628.27 13561.64  1633.61  273.914   19.605  292.314   18.404 -18.39951 26.88991 
1 1 1    3   26   15 o  185.366   14.332  5391.25  804.562   0.0000   0.0000  5391.25  804.562  ?   ?   185.366   14.332 0.000000 14.33174 
1 1 1    3   26   16 o  198.557   14.844  6196.19  893.097   0.0000   0.0000  6196.19  893.097  ?   ?   198.557   14.844 0.000000 14.84391 
1 1 1    3   26   17 f  170.848   13.720  4577.40  709.425   0.0000   0.0000  4577.40  709.425  ?   ?   170.848   13.720 0.000000 13.72014 
1 1 1    3   26   18 o  118.599   12.517  2208.66  446.243   0.0000   0.0000  2208.66  446.243  ?   ?   118.599   12.517 0.000000 12.51656 
1 1 1    3   26   19 o  178.754   5.4105  4893.54  295.197  4952.73  322.421  4586.80  734.006  179.776   5.8759  170.761   14.212 9.014755 15.37884 
1 1 1    3   26   20 o  165.472   9.4951  4238.57  477.548  4175.71  677.869  4300.50  672.869  162.981   13.755  165.524   13.434 -2.542755 19.22728 
1 1 1    3   26   21 o  159.921   9.3937  3960.02  456.508  3762.88  647.583  4154.76  643.634  154.564   13.875  162.747   13.067 -8.183075 19.05939 
1 1 1    3   26   22 o  216.534   6.2353  7192.20  412.101  7324.54  1015.77  7166.12  450.874  215.154   15.573  216.030   6.8379 -0.8754272 17.00812 
1 1 1    3   26   23 o  153.027   3.8942  3581.17  181.886  3648.39  257.995  3514.75  256.462  154.300   5.4781  151.440   5.5484 2.860214 7.797037 
1 1 1    3   26   24 o  133.294   3.6591  2716.64  148.867  2796.28  211.631  2638.64  209.446  135.109   5.1319  131.236   5.2288 3.873123 7.326449 
1 1 1    3   26   25 o  173.528   7.9257  4638.40  419.782  4350.33  716.889  4788.71  517.848  165.771   14.309  175.658   9.6962 -9.887115 17.28459 
1 1 1    3   26   26 o  218.714   11.073  7457.73  736.759  7401.27  1048.11  7512.89  1035.87  215.409   16.057  217.222   15.730 -1.813187 22.47794 
1 1 1    3   26   27 o   98.896   12.742  1555.32  375.661   0.0000   0.0000  1555.32  375.661  ?   ?    98.896   12.742 0.000000 12.74159 
1 1 1    3   26   28 f   96.402   12.724  1480.83  365.250   0.0000   0.0000  1480.83  365.250  ?   ?    96.402   12.724 0.000000 12.72428 
1 1 1    3   26   29 o   31.732   12.081  113.308  162.082   82.933  934.833  114.249  164.574   61.393   26.708   31.926   12.169 29.46638 29.34976 
1 1 1    3   26   30 o   41.496   4.9416  267.732   61.357  573.206  167.516  220.400   65.940   60.075   9.4478   37.416   5.9749 22.65826 11.17857 
1 1 1    3   26   31 o  112.795   3.2005  1945.83  110.186  2009.91  140.064  1841.77  178.479  114.568   4.0054  109.528   5.3388 5.039940 6.674273 
1 1 1    3   26   32 f   65.445   5.2150  661.771  103.307  836.444  211.351  606.938  118.416   72.640   9.7813   62.475   6.2957 10.16437 11.63225 
1 1 1    3   26   33 o  133.706   5.3380  2747.37  217.844  3054.44  270.656  2182.51  367.086  140.788   6.2985  117.639   10.328 23.14900 12.09706 
1 1 1    3   26   34 f  110.488   5.5605  1883.02  186.920  2285.75  241.562  1282.03  295.090  121.522   6.5366   89.609   11.021 31.91322 12.81407 
1 1 1    3   26   35 o   74.744   4.7395  861.498  107.566  1234.39  218.574  742.325  123.565   88.732   8.1620   69.150   5.9113 19.58236 10.07773 
1 1 1    3   26   36 o  108.994   5.5528  1835.05  184.115   0.0000   0.0000  1835.05  184.115  ?   ?   108.994   5.5528 0.000000 5.552764 
1 1 1    3   27    0 f   71.774   28.007  1101.37  585.879  1101.37  585.879  1101.37  585.879   71.774   28.007   71.774   28.007 0.000000 0.000000 
1 1 1    3   27    1 o   48.006   17.178  314.724  318.947  195.932  449.337  435.355  452.801   48.848   19.655   56.434   20.433 -7.586128 28.35171 
1 1 1    3   27    2 o   97.104   12.699  1488.01  367.368  1506.98  519.133  1468.97  519.942   96.147   18.360   94.817   18.631 1.330002 26.15668 
1 1 1    3   27    3 o  119.675   11.236  2234.89  405.603  2444.52  572.852  2024.15  574.370  124.050   15.466  112.136   17.341 11.91405 23.23569 
1 1 1    3   27    4 o   48.831   16.806  345.728  303.240  336.383  438.064  354.325  420.186   52.697   19.910   52.722   19.584 -0.2489090E-01 27.92733 
1 1 1    3   27    5 o  119.195   11.994  2224.15  430.436  2331.73  571.973  2083.66  653.622  120.971   15.874  112.997   19.666 7.973969 25.27309 
1 1 1    3   27    6 o  215.009   11.524  7180.14  753.519  7734.14  1066.41  6627.73  1064.87  221.474   15.881  204.352   17.233 17.12192 23.43494 
1 1 1    3   27    7 o  131.205   9.1723  2664.82  365.011  2931.35  626.580  2527.91  449.080  135.987   15.366  127.206   11.698 8.781532 19.31142 
1 1 1    3   27    8 o  255.029   10.260 10045.69  798.655 10028.41  1379.52 10054.40  979.498  251.077   18.123  254.363   12.616 -3.286407 22.08209 
1 1 1    3   27    9 o  337.907   15.132 17888.46  1560.66 19894.58  2217.38 15919.09  2196.98  351.858   20.739  312.665   23.187 39.19327 31.10796 
1 1 1    3   27   10 o  288.335   13.094 12943.37  1152.32 14658.38  1638.46 11264.84  1620.94  303.886   17.742  264.742   20.213 39.14392 26.89470 
1 1 1    3   27   11 o   90.679   13.570  1308.64  364.048   0.0000   0.0000  1308.64  364.048  ?   ?    90.679   13.570 0.000000 13.57047 
1 1 1    3   27   12 o  136.120   12.943  2909.38  531.270   0.0000   0.0000  2909.38  531.270  ?   ?   136.120   12.943 0.000000 12.94304 
1 1 1    3   27   13 o  174.881   13.610  4800.77  720.769   0.0000   0.0000  4800.77  720.769  ?   ?   174.881   13.610 0.000000 13.61041 
1 1 1    3   27   14 o  153.808   13.282  3715.96  617.399   0.0000   0.0000  3715.96  617.399  ?   ?   153.808   13.282 0.000000 13.28163 
1 1 1    3   27   15 o   93.098   8.9461  1348.26  251.079  1489.04  350.694  1200.20  359.635   97.164   12.086   86.550   14.099 10.61343 18.57054 
1 1 1    3   27   16 o   35.274   12.363  172.593  164.468  114.999  229.306  233.611  236.024   35.797   14.160   41.404   14.781 -5.607277 20.46957 
1 1 1    3   27   17 o  161.795   5.1834  4009.57  255.977  4015.45  278.979  3978.25  643.765  161.859   5.6470  159.012   13.389 2.846481 14.53087 
1 1 1    3   27   18 o  116.468   4.4570  2075.89  158.441  2118.05  170.969  1819.40  421.677  117.622   4.7622  107.153   13.170 10.46859 14.00488 
1 1 1    3   27   19 o  205.817   10.578  6585.27  662.241  6692.47  938.257  6478.84  934.852  205.585   15.057  202.161   15.263 3.423843 21.44015 
1 1 1    3   27   20 o  111.576   8.7379  1932.83  295.196  2060.09  421.674  1810.52  413.390  114.296   12.280  106.877   12.936 7.418404 17.83616 
1 1 1    3   27   21 f   49.928   5.0722  385.840   76.223  380.238   79.928  442.095  253.289   49.518   5.3747   52.275   15.056 -2.757572 15.98670 
1 1 1    3   27   22 o   82.563   3.2803  1042.09   82.663  1112.95  117.789  973.327  116.037   85.135   4.5494   79.570   4.8003 5.564857 6.613585 
1 1 1    3   27   23 o  103.361   3.3741  1633.55  106.447  1675.32  151.684  1593.03  149.419  104.576   4.7522  101.971   4.8008 2.604538 6.755021 
1 1 1    3   27   24 o   24.819   7.0677   97.165   56.119  203.541  244.542   91.251   57.658   40.168   14.936   24.212   7.2411 15.95610 16.59900 
1 1 1    3   27   25 o   32.322   12.166  123.342  163.202  117.368  244.910  128.114  218.883   36.535   14.577   35.599   13.910 0.9361115 20.14861 
1 1 1    3   27   26 o   87.603   4.2889  1175.40  114.679  1206.80  122.924  964.617  318.488   88.629   4.5595   76.944   14.080 11.68460 14.79995 
1 1 1    3   27   27 o   21.115   7.4031   60.899   58.971   60.827   60.200   62.617  293.366   21.202   7.4762   37.090   15.502 -15.88747 17.21094 
1 1 1    3   27   29 o   66.013   12.078  707.421  234.387  707.421  234.387   0.0000   0.0000   66.013   12.078  ?   ?  0.000000 12.07792 
1 1 1    3   27   30 o  103.936   8.0559  1685.46  253.565  1685.46  253.565   0.0000   0.0000  103.936   8.0559  ?   ?  0.000000 8.055895 
1 1 1    3   27   31 o   93.256   7.0610  1352.77  199.493  1390.27  234.550  1254.70  379.322   94.231   8.2379   87.088   14.800 7.142242 16.93804 
1 1 1    3   27   32 o   89.764   7.0218  1254.88  190.852  1451.35  220.598  670.175  380.557   96.427   7.5557   62.371   18.592 34.05595 20.06826 
1 1 1    3   27   33 o   57.412   16.526  562.252  305.233   0.0000   0.0000  562.252  305.233  ?   ?    57.412   16.526 0.000000 16.52581 
1 1 1    3   27   34 o   37.751   15.723   91.435  300.269   0.0000   0.0000   91.435  300.269  ?   ?    37.751   15.723 0.000000 15.72306 
1 1 1    3   28    0 o  193.799   16.119  5921.95  938.317  5921.95  938.317  5921.95  938.317  193.799   16.119  193.799   16.119 0.000000 0.000000 
1 1 1    3   28    1 o  168.265   10.852  4404.52  554.350  3024.60  778.331  5825.15  789.732  136.393   19.230  192.651   13.516 -56.25832 23.50478 
1 1 1    3   28    2 o  159.361   10.756  3951.30  520.100  1536.58  725.683  6501.70  745.793   94.864   24.788  204.152   12.022 -109.2875 27.54963 
1 1 1    3   28    3 o  319.839   15.025 16073.87  1466.81 14796.29  2082.78 17331.04  2066.07  300.538   22.877  327.294   20.790 -26.75623 30.91240 
1 1 1    3   28    4 o  289.451   11.110 12994.16  981.495 13807.47  1699.94 12587.46  1202.10  293.290   19.094  283.611   13.887 9.679321 23.60966 
1 1 1    3   28    5 o  256.064   10.142 10143.24  792.701 10005.46  1353.76 10215.13  977.880  250.263   17.839  256.072   12.511 -5.808777 21.78943 
1 1 1    3   28    6 o  168.403   15.981  4511.54  811.577   0.0000   0.0000  4511.54  811.577  ?   ?   168.403   15.981 0.000000 15.98071 
1 1 1    3   28    7 o   85.587   15.662  1187.65  394.071   0.0000   0.0000  1187.65  394.071  ?   ?    85.587   15.662 0.000000 15.66233 
1 1 1    3   28    8 o   49.443   17.514  345.659  330.753   0.0000   0.0000  345.659  330.753  ?   ?    49.443   17.514 0.000000 17.51426 
1 1 1    3   28    9 o   79.267   17.810  1037.39  420.401   0.0000   0.0000  1037.39  420.401  ?   ?    79.267   17.810 0.000000 17.81049 
1 1 1    3   28   10 o   94.933   13.149  1433.46  370.763   0.0000   0.0000  1433.46  370.763  ?   ?    94.933   13.149 0.000000 13.14862 
1 1 1    3   28   11 o  156.521   13.434  3861.40  635.581   0.0000   0.0000  3861.40  635.581  ?   ?   156.521   13.434 0.000000 13.43419 
1 1 1    3   28   12 o  184.227   14.392  5365.76  802.827   0.0000   0.0000  5365.76  802.827  ?   ?   184.227   14.392 0.000000 14.39175 
1 1 1    3   28   13 o  146.287   13.111  3374.36  579.216   0.0000   0.0000  3374.36  579.216  ?   ?   146.287   13.111 0.000000 13.11145 
1 1 1    3   28   14 o  204.972   10.589  6538.33  660.226  7423.66  977.296  5795.05  895.463  216.451   14.883  190.821   15.509 25.63069 21.49496 
1 1 1    3   28   15 o   74.980   11.976  897.562  264.859   0.0000   0.0000  897.562  264.859  ?   ?    74.980   11.976 0.000000 11.97612 
1 1 1    3   28   16 f  160.600   5.7329  3957.13  281.017   0.0000   0.0000  3957.13  281.017  ?   ?   160.600   5.7329 0.000000 5.732851 
1 1 1    3   28   17 o  217.962   6.2967  7298.23  418.900  7243.47  458.976  7571.35  1025.03  216.993   6.9299  217.916   15.512 -0.9237061 16.98984 
1 1 1    3   28   18 o  116.493   8.6717  2109.05  306.124  2095.19  433.331  2122.85  432.520  114.991   12.550  115.795   12.432 -0.8038635 17.66549 
1 1 1    3   28   19 o   69.362   9.8436  760.984  202.551  802.002  289.972  721.901  283.055   70.122   14.038   66.366   14.388 3.756287 20.10198 
1 1 1    3   28   20 o  229.259   11.280  8211.74  789.341  8304.34  1112.83  8117.97  1119.79  227.316   16.144  224.522   16.455 2.793961 23.05209 
1 1 1    3   28   21 o  167.910   5.2553  4325.87  269.336  4361.27  293.979  4140.88  672.029  168.513   5.7156  161.237   13.788 7.276245 14.92580 
1 1 1    3   28   22 o  142.879   4.9143  3130.85  214.312  3198.96  552.776  3118.80  232.497  141.859   12.908  142.540   5.3440 -0.6802673 13.97027 
1 1 1    3   28   23 o  104.451   12.738  1745.55  397.700  1745.55  397.700   0.0000   0.0000  104.451   12.738  ?   ?  0.000000 12.73848 
1 1 1    3   28   24 o   83.167   4.7013  1064.20  118.851  1064.20  118.851   0.0000   0.0000   83.167   4.7013  ?   ?  0.000000 4.701326 
1 1 1    3   28   25 o  115.770   4.9429  2057.46  174.661  2057.46  174.661   0.0000   0.0000  115.770   4.9429  ?   ?  0.000000 4.942919 
1 1 1    3   28   26 o  120.402   12.873  2329.05  465.758  2329.05  465.758   0.0000   0.0000  120.402   12.873  ?   ?  0.000000 12.87333 
1 1 1    3   28   33 o  218.124   22.370  8734.47  1468.23  8734.47  1468.23   0.0000   0.0000  218.124   22.370  ?   ?  0.000000 22.36990 
1 1 1    3   29    2 o  240.825   18.380  9375.48  1340.82   0.0000   0.0000  9375.48  1340.82  ?   ?   240.825   18.380 0.000000 18.37996 
1 1 1    3   29    3 f   50.463   20.989  153.523  534.015   0.0000   0.0000  153.523  534.015  ?   ?    50.463   20.989 0.000000 20.98866 
1 1 1    3   29    4 o  143.643   11.070  3229.30  481.593   0.0000   0.0000  3229.30  481.593  ?   ?   143.643   11.070 0.000000 11.06975 
1 1 1    3   29    5 o   85.756   5.8656  1133.81  152.608  1026.85  160.301  2168.76  498.621   81.493   6.4987  116.486   14.326 -34.99346 15.73129 
1 1 1    3   29    6 o  272.459   13.197 11655.13  1097.49 11996.12  1551.42 11313.55  1552.76  271.994   18.803  263.582   19.438 8.411652 27.04406 
1 1 1    3   29    7 o  211.631   9.3560  6935.27  604.348  8006.05  1043.60  6394.99  741.299  224.205   15.342  201.916   12.084 22.28911 19.52951 
1 1 1    3   29    8 o  231.509   11.917  8397.04  839.223  8137.76  1198.89  8646.16  1175.15  224.481   17.640  232.074   16.702 -7.593079 24.29222 
1 1 1    3   29    9 o   88.241   9.2954  1218.72  246.590  1832.85  496.467  1017.59  284.113  106.330   15.776   79.845   12.032 26.48549 19.84027 
1 1 1    3   29   10 o  145.366   9.5123  3289.46  419.723  3987.90  655.406  2803.88  546.486  158.534   13.679  132.745   13.684 25.78877 19.34843 
1 1 1    3   29   11 o  308.148   7.6333 14642.75  717.942 15105.22  789.457 12431.47  1726.26  312.695   8.2716  274.388   20.766 38.30673 22.35268 
1 1 1    3   29   12 o   44.118   14.207  302.309  217.424  848.279  445.840  131.947  249.046   70.904   19.827   37.335   14.761 33.56834 24.71856 
1 1 1    3   29   13 o  228.341   11.369  8150.91  792.357  8683.78  1151.51  7671.70  1091.98  232.275   16.347  218.138   16.524 14.13698 23.24297 
1 1 1    3   29   14 o   45.323   14.052  326.016  214.556  373.012  445.678  311.838  244.789   53.257   20.092   45.215   15.105 8.042171 25.13643 
1 1 1    3   29   15 o  229.450   6.0651  8093.73  424.763  8365.87  466.988  6789.77  1022.22  233.130   6.5628  204.877   16.486 28.25352 17.74469 
1 1 1    3   29   16 f   91.719   4.8808  1293.77  136.145  1344.81  150.130  1057.46  323.030   93.456   5.2848   80.732   13.592 12.72326 14.58337 
1 1 1    3   29   17 o   52.067   4.8100  419.267   75.576  493.374  452.687  417.142   76.652   57.213   20.466   51.921   4.8946 5.291363 21.04305 
1 1 1    3   29   18 o   52.062   20.002  344.057  446.804  344.057  446.804   0.0000   0.0000   52.062   20.002  ?   ?  0.000000 20.00227 
1 1 1    3   29   19 o  156.972   13.379  3942.02  634.892  3942.02  634.892   0.0000   0.0000  156.972   13.379  ?   ?  0.000000 13.37907 
1 1 1    3   29   20 o   75.889   4.6321  886.779  106.781  886.779  106.781   0.0000   0.0000   75.889   4.6321  ?   ?  0.000000 4.632142 
1 1 1    3   29   21 o  122.562   5.0020  2307.25  187.120  2307.25  187.120   0.0000   0.0000  122.562   5.0020  ?   ?  0.000000 5.002028 
1 1 1    3   29   22 o  109.958   12.586  1946.07  414.814  1946.07  414.814   0.0000   0.0000  109.958   12.586  ?   ?  0.000000 12.58644 
1 1 1    3   29   30 o  137.994   7.5027  2981.94  314.816  2981.94  314.816   0.0000   0.0000  137.994   7.5027  ?   ?  0.000000 7.502664 
1 1 1    3   30    0 o  243.520   18.202  9421.80  1335.56  9421.80  1335.56  9421.80  1335.56  243.520   18.202  243.520   18.202 0.000000 0.000000 
1 1 1    3   30    1 o  210.155   11.464  6940.68  732.582  6886.48  1034.19  6995.27  1037.88  206.136   16.577  207.824   16.497 -1.687927 23.38754 
1 1 1    3   30    2 o  261.345   12.881 10779.79  1027.49 11585.05  1452.14  9972.41  1454.05  266.320   17.969  245.534   19.565 20.78647 26.56451 
1 1 1    3   30    3 o  182.822   15.669  5392.85  865.901  5392.85  865.901   0.0000   0.0000  182.822   15.669  ?   ?  0.000000 15.66892 
1 1 1    3   30    4 o  214.684   16.697  7479.35  1085.51  7479.35  1085.51   0.0000   0.0000  214.684   16.697  ?   ?  0.000000 16.69737 
1 1 1    3   30    7 o  103.158   17.991  1777.23  545.856   0.0000   0.0000  1777.23  545.856  ?   ?   103.158   17.991 0.000000 17.99061 
1 1 1    3   30    8 o  150.980   10.040  3570.54  460.008  4475.39  673.961  2781.34  629.420  167.554   13.287  130.489   16.148 37.06532 20.91215 
1 1 1    3   30    9 o  115.510   9.3211  2088.58  325.830  2924.97  534.176  1593.02  411.180  135.300   13.099   99.178   13.970 36.12249 19.15083 
1 1 1    3   30   10 o   53.363   13.451  469.609  219.017  782.678  423.698  355.453  255.851   67.723   19.464   47.448   15.424 20.27569 24.83417 
1 1 1    3   30   11 o   82.444   5.6199  1049.75  140.574  1049.75  140.574   0.0000   0.0000   82.444   5.6199  ?   ?  0.000000 5.619859 
1 1 1    3   30   12 o  102.303   17.093  1745.64  514.891  1745.64  514.891   0.0000   0.0000  102.303   17.093  ?   ?  0.000000 17.09263 
1 1 1    3   30   13 o  137.093   15.430  3069.15  634.434  3069.15  634.434   0.0000   0.0000  137.093   15.430  ?   ?  0.000000 15.43013 
1 1 1    3   30   14 o   48.277   19.048  265.422  413.941  265.422  413.941   0.0000   0.0000   48.277   19.048  ?   ?  0.000000 19.04822 
1 1 1    3   30   15 o   49.508   7.4927  387.796  109.681  387.796  109.681   0.0000   0.0000   49.508   7.4927  ?   ?  0.000000 7.492730 
1 1 1    3   30   16 o   60.958   6.4563  579.832  118.296  579.832  118.296   0.0000   0.0000   60.958   6.4563  ?   ?  0.000000 6.456344 
1 1 1    3   30   17 o   62.753   20.231  674.479  440.791  674.479  440.791   0.0000   0.0000   62.753   20.231  ?   ?  0.000000 20.23133 
1 1 1    3   30   19 o  212.221   6.8837  6975.73  445.888  6975.73  445.888   0.0000   0.0000  212.221   6.8837  ?   ?  0.000000 6.883673 
1 1 1    3   31    0 o  135.167   15.298  2954.86  610.281  2954.86  610.281  2954.86  610.281  135.167   15.298  135.167   15.298 0.000000 0.000000 
1 1 1    3   31    1 o   92.551   12.175  1381.06  335.579  1216.93  470.222  1551.43  479.064   83.870   18.830   95.949   16.979 -12.07905 25.35490 
1 1 1    3   31    2 o   87.845   5.2235  1190.72  139.424  1173.88  145.906  1367.68  473.020   87.166   5.5126   89.469   17.946 -2.303375 18.77360 
1 1 1    3   31    3 o  194.966   11.252  6024.62  666.765  5998.31  918.444  6053.93  969.523  191.082   15.892  191.201   16.783 -0.1188507 23.11306 
1 1 1    3   31    4 o  136.258   10.467  2936.66  431.993  3041.82  604.393  2826.82  617.685  136.397   14.753  130.823   15.788 5.573273 21.60818 
1 1 1    3   31    5 o  139.451   15.252  3194.47  638.604   0.0000   0.0000  3194.47  638.604  ?   ?   139.451   15.252 0.000000 15.25221 
1 1 1    3   31    6 f  168.831   15.191  4670.28  774.419   0.0000   0.0000  4670.28  774.419  ?   ?   168.831   15.191 0.000000 15.19079 
1 1 1    3   31    7 o  157.347   5.1040  3807.38  245.123  3952.02  264.789  2940.73  648.153  160.232   5.4142  132.947   16.315 27.28506 17.19014 
1 1 1    3   31    8 f   73.625   14.871  908.360  322.677  1170.93  438.684  598.827  476.300   82.389   17.952   60.188   21.043 22.20146 27.66007 
1 1 1    3   31    9 o   71.359   15.214  858.644  321.243  1166.82  433.443  483.057  478.506   82.255   17.783   56.310   20.902 25.94497 27.44324 
1 1 1    3   31   10 o  144.892   10.703  3334.56  469.983  3118.98  646.796  3575.70  684.083  137.059   15.747  147.036   15.475 -9.976807 22.07837 
1 1 1    3   31   11 o  260.576   19.815 11705.04  1564.18   0.0000   0.0000 11705.04  1564.18  ?   ?   260.576   19.815 0.000000 19.81535 
1 1 1    3   31   12 o  169.970   6.0294  4461.60  312.800  4461.60  312.800   0.0000   0.0000  169.970   6.0294  ?   ?  0.000000 6.029437 
1 1 1    3   31   13 o  184.839   16.052  5698.47  896.644  5698.47  896.644   0.0000   0.0000  184.839   16.052  ?   ?  0.000000 16.05250 
1 1 1    3   31   14 o  130.129   15.630  2832.30  608.377  2832.30  608.377   0.0000   0.0000  130.129   15.630  ?   ?  0.000000 15.63001 
1 1 1    3   31   15 o  193.710   6.4924  5812.96  383.859  5812.96  383.859   0.0000   0.0000  193.710   6.4924  ?   ?  0.000000 6.492350 
1 1 1    3   32    0 o  233.378   17.354  8770.67  1220.46  8770.67  1220.46  8770.67  1220.46  233.378   17.354  233.378   17.354 0.000000 0.000000 
1 1 1    3   32    1 o  101.634   11.977  1679.61  364.406  1338.66  479.697  2144.85  560.349   86.930   18.639  111.851   16.944 -24.92043 25.18942 
1 1 1    3   32    2 o  266.588   13.320 11567.34  1083.82 12349.87  1530.63 10780.44  1534.89  266.716   18.925  246.444   20.594 20.27182 27.96897 
1 1 1    3   32    3 o  118.672   10.625  2255.97  380.790  2630.96  535.075  1871.18  542.029  126.021   14.156  103.771   17.751 22.24943 22.70440 
1 1 1    3   32    4 o  185.502   10.766  5498.11  606.919  7469.39  860.869  3550.07  855.779  213.893   13.252  140.936   20.495 72.95769 24.40553 
1 1 1    3   32    5 o   45.294   15.829  321.808  269.490  537.766  376.897   95.901  385.480   56.021   18.743   41.396   17.562 14.62477 25.68489 
1 1 1    3   32    6 o   58.781   16.269  600.645  301.793  816.128  396.698  304.583  464.991   67.509   18.639   49.763   20.004 17.74660 27.34198 
1 1 1    3   32    7 o   34.988   14.463   87.810  251.335  120.428  360.731   57.038  350.379   41.012   17.170   38.803   16.610 2.209602 23.88918 
1 1 1    3   32    8 o   71.825   5.6187  801.834  122.195  801.834  122.195   0.0000   0.0000   71.825   5.6187  ?   ?  0.000000 5.618680 
1 1 1    3   32    9 o   60.675   19.345  656.532  403.860  656.532  403.860   0.0000   0.0000   60.675   19.345  ?   ?  0.000000 19.34472 
1 1 1    3   32   10 o   67.751   15.113  790.690  304.573  808.899  411.462  768.621  452.988   66.766   19.178   64.833   20.468 1.932739 28.04905 
1 1 1    4    0    0 o  584.898   35.114 53002.67  6216.96 53002.67  6216.96 53002.67  6216.96  584.898   35.114  584.898   35.114 0.000000 0.000000 
1 1 1    4    0    1 o  246.512   11.487  9343.06  860.018  9343.06  860.018  9343.06  860.018  246.512   11.487  246.512   11.487 0.000000 0.000000 
1 1 1    4    0    2 f   85.119   4.0650  1113.39  105.061  1113.39  105.061  1113.39  105.061   85.119   4.0650   85.119   4.0650 0.000000 0.000000 
1 1 1    4    0    3 o  428.815   8.3765 28109.73  1095.41 28109.73  1095.41 28109.73  1095.41  428.815   8.3765  428.815   8.3765 0.000000 0.000000 
1 1 1    4    0    4 o  404.526   10.780 25049.82  1328.87 25049.82  1328.87 25049.82  1328.87  404.526   10.780  404.526   10.780 0.000000 0.000000 
1 1 1    4    0    5 o  240.953   6.8832  8885.57  505.289  8885.57  505.289  8885.57  505.289  240.953   6.8832  240.953   6.8832 0.000000 0.000000 
1 1 1    4    0    6 o  1275.51   34.277 251420.30 13322.58 251420.30 13322.58 251420.30 13322.58  1275.51   34.277  1275.51   34.277 0.000000 0.000000 
1 1 1    4    0    7 o  609.889   11.588 56902.14  2155.44 56902.14  2155.44 56902.14  2155.44  609.889   11.588  609.889   11.588 0.000000 0.000000 
1 1 1    4    0    8 o  263.798   5.5231 10637.56  444.263 10637.56  444.263 10637.56  444.263  263.798   5.5231  263.798   5.5231 0.000000 0.000000 
1 1 1    4    0    9 o  286.953   7.7625 12602.66  678.748 12602.66  678.748 12602.66  678.748  286.953   7.7625  286.953   7.7625 0.000000 0.000000 
1 1 1    4    0   10 o  394.142   17.086 23928.55  2046.71 23928.55  2046.71 23928.55  2046.71  394.142   17.086  394.142   17.086 0.000000 0.000000 
1 1 1    4    0   11 o  407.812   18.233 25645.39  2259.18 25645.39  2259.18 25645.39  2259.18  407.812   18.233  407.812   18.233 0.000000 0.000000 
1 1 1    4    0   12 o  513.566   12.914 40420.37  2021.35 40420.37  2021.35 40420.37  2021.35  513.566   12.914  513.566   12.914 0.000000 0.000000 
1 1 1    4    0   13 o  124.254   3.8077  2363.29  144.102  2363.29  144.102  2363.29  144.102  124.254   3.8077  124.254   3.8077 0.000000 0.000000 
1 1 1    4    0   14 o   80.679   4.1306  1001.36  101.108  1001.36  101.108  1001.36  101.108   80.679   4.1306   80.679   4.1306 0.000000 0.000000 
1 1 1    4    0   15 o  326.690   11.909 16379.38  1183.87 16379.38  1183.87 16379.38  1183.87  326.690   11.909  326.690   11.909 0.000000 0.000000 
1 1 1    4    0   16 f  320.755   7.8954 15739.96  771.914 15739.96  771.914 15739.96  771.914  320.755   7.8954  320.755   7.8954 0.000000 0.000000 
1 1 1    4    0   17 o  463.983   11.613 32955.36  1642.31 32955.36  1642.31 32955.36  1642.31  463.983   11.613  463.983   11.613 0.000000 0.000000 
1 1 1    4    0   18 o  525.843   9.3826 42268.05  1504.82 42268.05  1504.82 42268.05  1504.82  525.843   9.3826  525.843   9.3826 0.000000 0.000000 
1 1 1    4    0   19 o  596.421   10.537 54379.79  1916.74 54379.79  1916.74 54379.79  1916.74  596.421   10.537  596.421   10.537 0.000000 0.000000 
1 1 1    4    0   20 o  149.649   3.5045  3423.62  159.875  3423.62  159.875  3423.62  159.875  149.649   3.5045  149.649   3.5045 0.000000 0.000000 
1 1 1    4    0   21 o  1336.49   30.344 274591.81 12363.90 274591.81 12363.90 274591.81 12363.90  1336.49   30.344  1336.49   30.344 0.000000 0.000000 
1 1 1    4    0   22 o  629.880   11.641 60660.74  2236.37 60660.74  2236.37 60660.74  2236.37  629.880   11.641  629.880   11.641 0.000000 0.000000 
1 1 1    4    0   23 f  848.907   19.039 110388.30  4927.49 110388.30  4927.49 110388.30  4927.49  848.907   19.039  848.907   19.039 0.000000 0.000000 
1 1 1    4    0   24 o  842.791   35.131 109792.10  9001.32 109792.10  9001.32 109792.10  9001.32  842.791   35.131  842.791   35.131 0.000000 0.000000 
1 1 1    4    0   25 o  893.723   16.408 122231.50  4472.58 122231.50  4472.58 122231.50  4472.58  893.723   16.408  893.723   16.408 0.000000 0.000000 
1 1 1    4    0   26 f  371.368   16.222 21204.10  1830.81 21204.10  1830.81 21204.10  1830.81  371.368   16.222  371.368   16.222 0.000000 0.000000 
1 1 1    4    0   27 o  580.601   9.2509 51514.40  1638.43 51514.40  1638.43 51514.40  1638.43  580.601   9.2509  580.601   9.2509 0.000000 0.000000 
1 1 1    4    0   28 o  471.296   11.924 33997.32  1712.82 33997.32  1712.82 33997.32  1712.82  471.296   11.924  471.296   11.924 0.000000 0.000000 
1 1 1    4    0   29 o  988.025   18.654 149520.20  5621.07 149520.20  5621.07 149520.20  5621.07  988.025   18.654  988.025   18.654 0.000000 0.000000 
1 1 1    4    0   30 o  863.993   15.491 114240.70  4082.08 114240.70  4082.08 114240.70  4082.08  863.993   15.491  863.993   15.491 0.000000 0.000000 
1 1 1    4    0   31 o  394.155   6.3645 23735.63  765.232 23735.63  765.232 23735.63  765.232  394.155   6.3645  394.155   6.3645 0.000000 0.000000 
1 1 1    4    0   32 o  642.040   11.934 63050.73  2336.78 63050.73  2336.78 63050.73  2336.78  642.040   11.934  642.040   11.934 0.000000 0.000000 
1 1 1    4    0   33 o  486.661   7.5921 36190.27  1127.11 36190.27  1127.11 36190.27  1127.11  486.661   7.5921  486.661   7.5921 0.000000 0.000000 
1 1 1    4    0   34 o  567.974   7.7443 49290.25  1341.97 49290.25  1341.97 49290.25  1341.97  567.974   7.7443  567.974   7.7443 0.000000 0.000000 
1 1 1    4    0   35 o  475.499   6.5363 34543.08  948.233 34543.08  948.233 34543.08  948.233  475.499   6.5363  475.499   6.5363 0.000000 0.000000 
1 1 1    4    0   36 o  317.816   11.722 15508.87  1133.59 15508.87  1133.59 15508.87  1133.59  317.816   11.722  317.816   11.722 0.000000 0.000000 
1 1 1    4    0   37 o  455.843   11.488 31845.40  1596.14 31845.40  1596.14 31845.40  1596.14  455.843   11.488  455.843   11.488 0.000000 0.000000 
1 1 1    4    0   38 o   17.664   11.376  -0.1289  141.387  -0.1289  141.387  -0.1289  141.387   17.664   11.376   17.664   11.376 0.000000 0.000000 
1 1 1    4    0   39 o  375.687   6.0374 21574.50  691.889 21574.50  691.889 21574.50  691.889  375.687   6.0374  375.687   6.0374 0.000000 0.000000 
1 1 1    4    0   40 o  112.002   3.5726  1920.86  121.849  1920.86  121.849  1920.86  121.849  112.002   3.5726  112.002   3.5726 0.000000 0.000000 
1 1 1    4    0   41 o   83.296   4.7455  1069.76  119.753  1069.76  119.753  1069.76  119.753   83.296   4.7455   83.296   4.7455 0.000000 0.000000 
1 1 1    4    0   42 o  612.701   15.586 57800.67  2910.47 57800.67  2910.47 57800.67  2910.47  612.701   15.586  612.701   15.586 0.000000 0.000000 
1 1 1    4    0   43 o  296.087   5.5534 13405.72  501.479 13405.72  501.479 13405.72  501.479  296.087   5.5534  296.087   5.5534 0.000000 0.000000 
1 1 1    4    0   44 o  475.525   8.8684 34632.52  1286.16 34632.52  1286.16 34632.52  1286.16  475.525   8.8684  475.525   8.8684 0.000000 0.000000 
1 1 1    4    0   45 o  290.373   4.7469 12887.78  420.454 12887.78  420.454 12887.78  420.454  290.373   4.7469  290.373   4.7469 0.000000 0.000000 
1 1 1    4    0   46 o   61.322   21.365  757.644  361.483  757.644  361.483  757.644  361.483   61.322   21.365   61.322   21.365 0.000000 0.000000 
1 1 1    4    0   47 o  204.467   4.6512  6395.08  289.931  6395.08  289.931  6395.08  289.931  204.467   4.6512  204.467   4.6512 0.000000 0.000000 
1 1 1    4    0   48 f  105.370   15.744  1817.66  473.036  1817.66  473.036  1817.66  473.036  105.370   15.744  105.370   15.744 0.000000 0.000000 
1 1 1    4    0   49 o  117.230   3.8832  2105.40  138.599  2105.40  138.599  2105.40  138.599  117.230   3.8832  117.230   3.8832 0.000000 0.000000 
1 1 1    4    0   50 o  114.479   3.0080  2004.85  104.938  2004.85  104.938  2004.85  104.938  114.479   3.0080  114.479   3.0080 0.000000 0.000000 
1 1 1    4    0   51 o  381.697   13.606 22481.06  1580.57 22481.06  1580.57 22481.06  1580.57  381.697   13.606  381.697   13.606 0.000000 0.000000 
1 1 1    4    0   52 o  533.823   33.712 46032.56  5442.58 46032.56  5442.58 46032.56  5442.58  533.823   33.712  533.823   33.712 0.000000 0.000000 
1 1 1    4    0   53 o  294.390   8.1537 13295.56  731.376 13295.56  731.376 13295.56  731.376  294.390   8.1537  294.390   8.1537 0.000000 0.000000 
1 1 1    4    0   54 o   12.393   7.2997   26.599   47.033   26.599   47.033   26.599   47.033   12.393   7.2997   12.393   7.2997 0.000000 0.000000 
1 1 1    4    0   55 o   45.005   4.4266  318.291   59.456  318.291   59.456  318.291   59.456   45.005   4.4266   45.005   4.4266 0.000000 0.000000 
1 1 1    4    0   56 o  165.798   5.7883  4218.44  292.108  4218.44  292.108  4218.44  292.108  165.798   5.7883  165.798   5.7883 0.000000 0.000000 
1 1 1    4    0   57 o  105.890   13.074  1805.05  405.241  1805.05  405.241  1805.05  405.241  105.890   13.074  105.890   13.074 0.000000 0.000000 
1 1 1    4    0   58 o  105.519   5.3237  1715.56  170.465  1715.56  170.465  1715.56  170.465  105.519   5.3237  105.519   5.3237 0.000000 0.000000 
1 1 1    4    0   59 o   39.087   8.8083  266.807   91.688  266.807   91.688  266.807   91.688   39.087   8.8083   39.087   8.8083 0.000000 0.000000 
1 1 1    4    0   60 o   29.757   11.147  183.363   94.482  183.363   94.482  183.363   94.482   29.757   11.147   29.757   11.147 -0.000000 0.000000 
1 1 1    4    0   61 o   76.061   3.4601  889.508   79.950  889.508   79.950  889.508   79.950   76.061   3.4601   76.061   3.4601 0.000000 0.000000 
1 1 1    4    0   62 o   60.768   3.8108  571.173   70.044  571.173   70.044  571.173   70.044   60.768   3.8108   60.768   3.8108 0.000000 0.000000 
1 1 1    4    0   63 o  138.946   5.3060  2970.82  224.279  2970.82  224.279  2970.82  224.279  138.946   5.3060  138.946   5.3060 0.000000 0.000000 
1 1 1    4    0   64 o   88.850   4.8192  1219.71  129.813  1219.71  129.813  1219.71  129.813   88.850   4.8192   88.850   4.8192 0.000000 0.000000 
1 1 1    4    1    0 o  602.537   25.218 55956.67  4619.37 55956.67  4619.37 55956.67  4619.37  602.537   25.218  602.537   25.218 0.000000 0.000000 
1 1 1    4    1    1 o  515.725   17.733 40779.58  2791.43 39086.43  3418.81 44165.73  4834.82  504.241   22.214  533.659   29.801 -29.41867 37.16951 
1 1 1    4    1    2 o  212.778   4.4453  6911.47  288.701  6712.43  449.069  7051.69  376.914  209.646   7.0180  214.904   5.7462 -5.258804 9.070303 
1 1 1    4    1    3 o  695.149   13.067 73942.35  2772.60 87472.20  8954.86 72507.80  2915.88  747.157   39.407  688.256   13.880 58.90094 41.77971 
1 1 1    4    1    4 o  146.292   3.4124  3266.73  152.368  3218.95  166.998  3504.14  372.251  145.216   3.7677  151.234   8.0937 -6.018082 8.927705 
1 1 1    4    1    5 o  341.582   5.4493 17815.36  568.137 17913.70  925.304 17755.86  719.793  342.381   8.8544  340.958   6.9166 1.423309 11.23559 
1 1 1    4    1    6 o  700.828   12.886 75183.63  2756.51 75152.65  4099.81 75209.20  3723.84  699.395   19.205  700.071   17.427 -0.6763306 25.93383 
1 1 1    4    1    7 o  500.101   6.8140 38203.61  1040.10 39864.63  1471.03 36543.06  1470.82  510.641   9.4382  488.866   9.8572 21.77545 13.64713 
1 1 1    4    1    8 o  237.429   4.0519  8606.12  293.637  8582.45  371.906  8645.28  478.475  237.077   5.1396  237.899   6.5895 -0.8227081 8.356805 
1 1 1    4    1    9 o  431.535   5.9328 28443.23  781.433 27944.71  1105.07 28941.81  1105.15  427.554   8.4681  435.127   8.3213 -7.573517 11.87229 
1 1 1    4    1   10 o  406.856   7.5624 25298.97  939.108 24126.02  1327.68 26473.42  1328.52  396.995   10.957  415.915   10.465 -18.92084 15.15174 
1 1 1    4    1   11 o  237.100   4.9485  8584.91  358.117  8643.40  483.651  8513.92  532.821  237.843   6.6623  236.022   7.3962 1.820709 9.954432 
1 1 1    4    1   12 o  440.445   7.0079 29645.23  942.094 29365.12  1193.64 30108.00  1534.22  438.176   8.9250  443.388   11.337 -5.211639 14.42829 
1 1 1    4    1   13 o  352.328   5.0182 18957.37  539.651 19148.08  746.379 18748.46  781.172  353.988   6.9080  350.248   7.3073 3.740265 10.05569 
1 1 1    4    1   14 o  450.737   7.4930 31049.05  1030.86 31394.93  1458.04 30703.34  1457.66  452.926   10.547  447.895   10.663 5.030304 14.99762 
1 1 1    4    1   15 o  171.431   3.7873  4486.50  198.168  4762.35  680.362  4460.93  207.150  175.870   12.761  170.939   3.9703 4.930283 13.36479 
1 1 1    4    1   16 o  341.792   6.4097 17843.05  668.675 17175.41  945.703 18510.54  945.595  335.188   9.2438  347.993   8.9026 -12.80569 12.83370 
1 1 1    4    1   17 o  230.126   4.2312  8084.48  297.196  7934.76  771.668  8110.56  322.038  227.779   11.099  230.491   4.5776 -2.711823 12.00629 
1 1 1    4    1   18 o  490.429   7.0170 36733.66  1050.37 36261.82  1384.96 37372.52  1611.56  487.131   9.3148  494.433   10.679 -7.301971 14.17046 
1 1 1    4    1   19 o  851.185   8.8158 110687.90  2290.35 113551.10  3728.58 108952.90  2902.50  861.393   14.182  844.202   11.264 17.19086 18.11089 
1 1 1    4    1   20 o  351.973   4.5067 18911.25  484.159 19039.89  684.681 18782.59  684.728  353.123   6.3525  350.727   6.3963 2.395355 9.014851 
1 1 1    4    1   21 o  532.453   14.107 43372.75  2292.65 43477.82  2961.38 43215.55  3622.09  532.662   18.215  530.503   22.369 2.159241 28.84736 
1 1 1    4    1   22 o  447.835   5.7953 30619.60  792.154 29932.37  1430.08 30923.80  951.459  442.571   10.587  450.015   6.9270 -7.443756 12.65152 
1 1 1    4    1   23 o  577.525   8.0792 50941.40  1424.15 50414.96  1825.58 51759.85  2276.28  574.383   10.413  581.797   12.818 -7.414368 16.51507 
1 1 1    4    1   24 o  1011.06   19.606 156745.20  6050.33 155498.09  6892.82 160931.70 12629.16  1006.29   22.442  1016.56   40.703 -10.27045 46.47946 
1 1 1    4    1   25 o  603.697   10.381 55695.61  1912.74 59185.90  3895.81 54587.04  2195.58  621.084   20.551  597.518   12.039 23.56635 23.81744 
1 1 1    4    1   26 o  440.522   6.9714 29634.64  937.362 29304.15  1187.15 30181.84  1527.56  437.971   8.8806  444.341   11.263 -6.370209 14.34316 
1 1 1    4    1   27 o  317.054   4.2156 15344.70  407.953 15235.62  564.165 15464.24  590.607  315.890   5.8513  318.245   6.0802 -2.355255 8.438433 
1 1 1    4    1   28 o  506.556   6.6482 39184.29  1027.90 40591.12  3327.18 39035.85  1080.76  514.104   21.204  505.578   7.0037 8.525970 22.33024 
1 1 1    4    1   29 o  289.041   4.2315 12753.22  373.315 12595.46  749.046 12805.35  430.605  287.132   8.5469  289.619   4.8712 -2.486603 9.837592 
1 1 1    4    1   30 o  669.847   8.6126 68552.63  1760.87 69383.79  3104.11 68158.26  2138.20  673.113   15.109  667.736   10.491 5.376770 18.39413 
1 1 1    4    1   31 f  488.199   7.2651 36403.57  1082.57 36370.42  1387.74 36455.12  1730.27  487.845   9.3199  488.228   11.611 -0.3826294 14.88884 
1 1 1    4    1   32 o  372.617   5.6024 21200.34  637.167 21384.54  816.077 20912.73  1019.76  374.170   7.1457  369.923   9.0317 4.246185 11.51662 
1 1 1    4    1   33 o  538.615   6.4188 44307.42  1055.23 44956.02  1371.19 43365.38  1652.51  542.405   8.2824  532.551   10.166 9.853882 13.11312 
1 1 1    4    1   34 o  347.398   4.1830 18424.77  443.540 18605.47  677.123 18288.97  587.005  349.014   6.3563  346.067   5.5573 2.946747 8.443152 
1 1 1    4    1   35 o  113.349   2.1953  1960.97   75.950  1968.48  120.266  1955.98   97.954  113.555   3.4699  113.200   2.8350 0.3555603 4.480816 
1 1 1    4    1   36 o  107.246   2.6925  1755.66   88.136  1852.66  149.610  1704.10  109.072  110.148   4.4501  105.653   3.3823 4.495232 5.589562 
1 1 1    4    1   37 o  550.501   6.7143 46321.73  1128.17 47127.99  1456.29 45111.59  1784.12  554.992   8.5969  542.592   10.773 12.40015 13.78272 
1 1 1    4    1   38 o  186.111   3.3357  5288.42  189.488  5193.56  234.798  5465.60  320.884  184.411   4.1715  189.127   5.5588 -4.716309 6.949898 
1 1 1    4    1   39 o  474.838   6.9162 34484.68  1002.37 34332.45  1102.76 35208.48  2404.55  473.677   7.6275  477.359   16.503 -3.681946 18.18073 
1 1 1    4    1   40 o  396.509   5.2341 24026.04  633.446 23481.08  760.579 25259.85  1144.43  391.859   6.3591  405.981   9.2356 -14.12103 11.21317 
1 1 1    4    1   41 o  273.435   3.9490 11419.64  329.579 11546.89  616.164 11368.65  390.070  274.674   7.3496  272.777   4.6851 1.896973 8.715839 
1 1 1    4    1   42 o  189.703   3.9540  5496.92  228.945  5872.05  591.775  5430.89  248.279  195.360   9.9574  188.544   4.3143 6.815536 10.85189 
1 1 1    4    1   43 o  413.273   4.5605 26097.67  575.269 25899.10  937.378 26217.64  728.613  411.268   7.4675  414.068   5.7651 -2.799835 9.433955 
1 1 1    4    1   44 o   57.695   2.6705  508.229   47.027  476.160   72.711  531.291   61.659   55.658   4.3138   58.880   3.4460 -3.221825 5.521189 
1 1 1    4    1   45 o  178.079   3.2971  4843.12  179.212  4756.43  224.375  4995.87  297.840  176.440   4.1664  180.755   5.3985 -4.315735 6.819300 
1 1 1    4    1   46 o  308.611   5.7063 14567.52  537.505 14540.14  794.563 14590.62  729.848  307.908   8.4545  308.563   7.7495 -0.6552124 11.46880 
1 1 1    4    1   47 o  234.986   4.8404  8440.97  347.172  7699.66  493.849  9165.28  488.150  224.204   7.2166  244.694   6.5360 -20.49025 9.736489 
1 1 1    4    1   48 o  282.046   5.2354 12164.16  450.701 12159.39  662.096 12168.28  615.255  281.667   7.7014  281.853   7.1518 -0.1854248 10.50996 
1 1 1    4    1   49 o  255.378   5.2521  9972.96  409.387  9277.40  604.374 10562.69  556.506  245.979   8.0499  262.623   6.9426 -16.64445 10.63014 
1 1 1    4    1   50 o  335.911   6.0103 17266.35  616.222 17059.15  905.312 17445.23  841.158  333.358   8.8976  337.263   8.1713 -3.905701 12.08043 
1 1 1    4    1   51 o  179.646   4.4058  4932.57  241.581  4835.07  451.754  4971.62  285.894  177.518   8.3376  180.303   5.1950 -2.784637 9.823629 
1 1 1    4    1   52 o  310.154   4.3606 14703.34  412.804 15098.93  570.850 14269.71  597.658  314.089   5.9546  305.272   6.4143 8.816986 8.752162 
1 1 1    4    1   53 o   89.057   2.9171  1211.29   79.294  1267.70  133.843  1180.79   98.427   90.920   4.8404   87.910   3.6682 3.010162 6.073379 
1 1 1    4    1   54 o  159.056   2.8584  3863.86  138.769  3869.18  164.856  3850.92  257.051  159.141   3.3940  158.641   5.3087 0.4996948 6.300869 
1 1 1    4    1   55 o  105.216   2.2545  1690.34   72.403  1636.05   86.546  1816.94  132.161  103.500   2.7396  109.026   3.9715 -5.526047 4.824778 
1 1 1    4    1   56 o  146.449   3.8323  3278.47  171.301  3359.52  824.732  3274.81  175.120  144.322   19.199  146.361   3.9200 -2.039246 19.59493 
1 1 1    4    1   57 o   65.405   4.2715  657.100   84.805  673.265  117.635  639.608  122.370   66.018   5.9001   64.275   6.3193 1.743538 8.645505 
1 1 1    4    1   58 o  219.448   3.3859  7361.12  226.792  7395.32  269.892  7278.94  418.348  219.886   4.0214  217.795   6.2932 2.091019 7.468342 
1 1 1    4    1   59 o   57.628   4.6041  511.740   80.308  496.192   95.732  548.672  147.545   56.606   5.6150   59.056   8.4242 -2.450562 10.12398 
1 1 1    4    1   60 o   59.004   4.6443  536.666   82.965  545.811  146.069  532.310  100.803   58.865   8.3652   58.613   5.7070 0.2522774 10.12650 
1 1 1    4    1   61 o  111.621   2.6644  1904.29   90.775  1907.54  121.036  1900.12  137.236  111.652   3.5517  111.391   4.0365 0.2604370 5.376553 
1 1 1    4    1   62 o  113.618   2.8196  1973.87   97.782  2006.58  170.180  1957.75  119.472  114.337   4.8765  113.098   3.4609 1.238632 5.979819 
1 1 1    4    1   63 o  186.795   10.424  5499.00  591.961   0.0000   0.0000  5499.00  591.961  ?   ?   186.795   10.424 0.000000 10.42431 
1 1 1    4    1   64 o   78.633   9.6294  983.384  226.281  996.824  402.915  977.192  273.484   75.938   17.709   77.571   11.933 -1.633286 21.35440 
1 1 1    4    2    0 o  310.961   19.827 14981.68  1864.30 14981.68  1864.30 14981.68  1864.30  310.961   19.827  310.961   19.827 0.000000 0.000000 
1 1 1    4    2    1 o  168.096   3.9531  4313.33  202.821   0.0000   0.0000  4313.33  202.821  ?   ?   168.096   3.9531 0.000000 3.953091 
1 1 1    4    2    2 o  435.448   10.698 28990.85  1421.91 31325.46  3691.17 28584.03  1540.83  449.633   27.021  432.305   11.677 17.32797 29.43675 
1 1 1    4    2    3 o  205.615   3.6132  6453.46  226.760  6461.10  406.815  6450.02  273.125  205.688   6.4799  205.551   4.3534 0.1371765 7.806499 
1 1 1    4    2    4 o  264.938   4.0267 10715.10  325.622 11030.26  520.627 10512.60  417.318  268.750   6.3469  262.398   5.2106 6.352448 8.211802 
1 1 1    4    2    5 o  208.718   3.6644  6649.90  233.445  6571.53  380.306  6697.28  295.712  207.442   6.0065  209.445   4.6257 -2.003540 7.581250 
1 1 1    4    2    6 o  641.230   9.8310 62869.89  1924.11 63250.42  2438.27 62241.78  3132.58  642.801   12.428  636.996   16.112 5.804993 20.34798 
1 1 1    4    2    7 o  612.064   9.3176 57276.31  1740.68 54738.79  2205.81 61464.78  2833.95  597.980   12.086  633.195   14.663 -35.21527 19.00204 
1 1 1    4    2    8 o  226.063   4.5712  7802.88  315.410  7604.15  346.499  8763.61  761.858  223.153   5.0872  239.336   10.429 -16.18289 11.60374 
1 1 1    4    2    9 o  695.048   11.062 73948.02  2346.78 73187.90  3461.03 74594.91  3192.85  690.214   16.429  697.200   15.004 -6.986084 22.24908 
1 1 1    4    2   10 f  692.863   11.555 73520.02  2443.61 69483.07  8255.88 73907.65  2558.24  659.042   41.250  694.578   12.067 -35.53571 42.97900 
1 1 1    4    2   11 o  486.538   11.603 36258.77  1723.07 35166.47  1867.06 42531.84  4474.35  478.968   12.771  521.568   28.211 -42.59998 30.96726 
1 1 1    4    2   12 o  186.463   3.9556  5308.33  225.123  5188.62  293.746  5478.73  350.453  184.319   5.2214  189.377   6.0630 -5.058075 8.001386 
1 1 1    4    2   13 o  161.064   2.6445  3959.71  130.007  4038.09  183.702  3881.05  184.013  162.636   3.7007  159.441   3.7812 3.194977 5.290812 
1 1 1    4    2   14 o  165.232   3.6716  4167.89  185.168  4193.97  271.960  4145.36  252.822  165.717   5.3768  164.761   5.0274 0.9558105 7.361001 
1 1 1    4    2   15 o  390.964   13.506 23419.52  1611.66 26489.72  2792.70 21886.46  1973.43  413.841   22.190  377.498   17.127 36.34317 28.03120 
1 1 1    4    2   16 o  637.209   14.501 62216.18  2820.28 61323.73  7309.58 62372.28  3056.99  623.948   38.571  637.786   15.704 -13.83789 41.64534 
1 1 1    4    2   17 o  215.847   2.7329  7111.07  180.051  7067.35  254.565  7154.83  254.695  215.169   3.8762  216.497   3.8544 -1.327911 5.466313 
1 1 1    4    2   18 o  387.076   5.0920 22874.10  601.594 23265.82  870.777 22516.39  832.105  390.299   7.3096  383.970   7.1001 6.329102 10.19026 
1 1 1    4    2   19 o  278.418   3.5116 11831.91  298.411 11769.91  446.659 11881.89  401.049  277.659   5.2704  278.987   4.7097 -1.328217 7.068184 
1 1 1    4    2   20 o  572.058   7.4759 49977.63  1305.34 50576.68  2301.89 49693.68  1584.79  575.052   13.115  570.333   9.1039 4.719482 15.96486 
1 1 1    4    2   21 o  411.282   4.9454 25822.40  620.808 26167.54  834.613 25394.95  928.835  413.972   6.6054  407.785   7.4626 6.187225 9.966004 
1 1 1    4    2   22 o  612.357   7.1726 57261.86  1340.60 57495.27  1742.10 56922.93  2099.26  613.473   9.3038  610.263   11.270 3.209900 14.61431 
1 1 1    4    2   23 o  199.187   2.7016  6055.47  164.247  6252.48  307.402  5976.75  194.309  202.380   4.9765  197.885   3.2171 4.495255 5.925794 
1 1 1    4    2   24 o  106.257   3.1235  1723.28  101.303  1691.97  104.403  2227.11  418.810  105.287   3.2488  120.150   11.563 -14.86340 12.01075 
1 1 1    4    2   25 o  223.608   3.9132  7632.18  267.075  7354.09  321.312  8253.73  480.373  219.486   4.7963  232.490   6.7695 -13.00374 8.296418 
1 1 1    4    2   26 o  418.259   5.6966 26709.47  727.244 26733.98  1003.21 26682.32  1055.76  418.370   7.8562  417.947   8.2761 0.4231262 11.41115 
1 1 1    4    2   27 o   82.374   2.4742  1035.62   62.208  1037.21   67.789  1027.13  156.554   82.436   2.6942   81.772   6.3216 0.6640778 6.871776 
1 1 1    4    2   28 f  479.669   10.763 35170.98  1575.77 34355.74  1830.37 37505.16  3097.17  473.928   12.653  494.260   20.530 -20.33185 24.11631 
1 1 1    4    2   29 o  433.737   7.8469 28736.50  1038.82 28657.18  1143.16 29112.50  2488.93  433.096   8.6478  435.643   18.718 -2.546600 20.61930 
1 1 1    4    2   30 o  328.007   6.1732 16428.80  618.028 16128.10  875.827 16727.04  872.233  324.893   8.8320  330.879   8.6367 -5.986237 12.35301 
1 1 1    4    2   31 o  278.300   3.9685 11822.86  337.094 11782.89  408.385 11908.32  597.154  277.812   4.8162  279.229   7.0066 -1.416779 8.502234 
1 1 1    4    2   32 o  127.859   2.7544  2495.23  107.491  2391.46  134.758  2676.73  178.226  125.168   3.5273  132.415   4.4098 -7.247055 5.646973 
1 1 1    4    2   33 o  429.271   4.9941 28135.55  654.349 28108.38  776.204 28202.28  1216.50  429.022   5.9276  429.531   9.2790 -0.5086060 11.01075 
1 1 1    4    2   34 o  503.395   7.0274 38713.88  1079.75 38578.12  1423.89 38897.58  1656.31  502.313   9.2872  504.228   10.762 -1.915314 14.21534 
1 1 1    4    2   35 o  517.037   6.7983 40845.11  1072.85 43692.85  3480.96 40546.21  1127.75  531.977   21.438  515.108   7.1729 16.86926 22.60637 
1 1 1    4    2   36 o  802.975   8.7569 98627.55  2146.21 100295.60  2628.55 95291.36  3717.34  809.290   10.641  787.347   15.469 21.94366 18.77534 
1 1 1    4    2   37 o  268.918   3.5882 11041.44  294.523 11187.33  379.907 10821.69  466.272  270.648   4.5989  266.133   5.7402 4.515625 7.355224 
1 1 1    4    2   38 o   20.349   7.0550   56.676   53.485   72.812   69.577   33.367   83.623   23.119   8.0449   21.284   8.5089 1.834745 11.70986 
1 1 1    4    2   39 o  474.801   6.1311 34464.04  888.521 34331.54  1228.86 34609.21  1286.22  473.507   8.5028  475.349   8.8651 -1.841888 12.28361 
1 1 1    4    2   40 o  353.740   4.0377 19112.14  435.945 19503.40  626.961 18745.91  606.582  357.192   5.7507  350.194   5.6750 6.997589 8.079353 
1 1 1    4    2   41 o  154.795   3.0996  3658.70  146.449  3333.10  190.400  4130.37  229.166  147.715   4.2231  164.421   4.5664 -16.70680 6.219828 
1 1 1    4    2   42 o  144.012   2.4509  3166.15  107.733  3274.31  139.764  3007.79  169.110  146.435   3.1270  140.326   3.9484 6.109558 5.036649 
1 1 1    4    2   43 o  306.214   3.6084 14321.21  337.252 14103.79  476.975 14538.58  476.919  303.758   5.1446  308.412   5.0664 -4.654083 7.220447 
1 1 1    4    2   44 o  296.519   4.5867 13436.17  415.117 13555.02  531.869 13250.93  664.004  297.702   5.8534  294.153   7.3957 3.549500 9.431786 
1 1 1    4    2   45 o  249.570   4.1588  9516.45  316.794  9831.56  531.888  9343.20  394.375  253.415   6.8766  247.205   5.2268 6.209335 8.637508 
1 1 1    4    2   46 o  163.400   3.1033  4077.37  154.772  4111.14  198.648  4025.21  246.899  164.040   3.9675  162.266   4.9851 1.774658 6.371219 
1 1 1    4    2   47 f   64.220   2.6801  629.719   52.533  744.069  126.696  605.978   57.730   69.475   6.0347   62.993   3.0025 6.481739 6.740349 
1 1 1    4    2   48 o  534.901   7.7244 43853.07  1261.12 45227.69  2017.51 42971.52  1615.67  541.484   12.207  528.727   10.012 12.75690 15.78751 
1 1 1    4    2   49 o  200.428   4.2402  6138.68  259.393  6203.45  363.790  6071.69  369.962  201.358   5.9192  199.194   6.0851 2.164246 8.489123 
1 1 1    4    2   50 o  292.334   5.8765 13075.67  524.345 13151.92  706.876 12982.38  781.851  292.879   7.9075  290.823   8.8080 2.056641 11.83678 
1 1 1    4    2   51 o  146.814   3.5243  3292.63  157.926  3485.27  363.357  3247.76  175.355  150.546   7.9357  145.793   3.9406 4.753067 8.860215 
1 1 1    4    2   52 o  258.009   3.3761 10168.62  265.866 10069.60  408.841 10241.18  349.970  256.582   5.2205  258.840   4.4298 -2.257721 6.846626 
1 1 1    4    2   53 o  124.660   2.5522  2372.96   97.107  2328.98  139.032  2414.84  135.689  123.461   3.6895  125.723   3.5360 -2.261398 5.110377 
1 1 1    4    2   54 o  209.250   3.0168  6687.92  192.676  6546.57  252.427  6885.22  298.235  206.960   3.9961  212.193   4.6048 -5.233139 6.096949 
1 1 1    4    2   55 o   47.019   4.0875  340.511   58.077  378.775   85.655  307.950   79.014   49.400   5.7907   44.445   5.9761 4.955013 8.321404 
1 1 1    4    2   56 o  113.957   2.8337  1983.65   98.563  1921.74  156.531  2024.32  126.872  112.083   4.5755  115.087   3.6118 -3.003578 5.829291 
1 1 1    4    2   57 o   58.830   2.3720  528.548   42.591  530.702   55.382  525.430   66.632   58.854   3.0939   58.505   3.7512 0.3484306 4.862462 
1 1 1    4    2   58 o  113.681   3.2618  1975.22  113.178  1828.77  204.970  2039.46  135.748  109.001   6.1864  115.481   3.8513 -6.479836 7.287219 
1 1 1    4    2   59 o  127.871   3.4653  2500.17  135.246  2408.94  162.302  2707.46  244.649  125.457   4.2385  132.807   6.0354 -7.350601 7.374992 
1 1 1    4    2   60 o  104.366   4.0884  1667.42  130.236  1448.87  168.410  1992.59  205.419   96.978   5.7148  113.743   5.9376 -16.76498 8.240971 
1 1 1    4    2   61 f  142.712   3.0449  3114.36  132.633  2986.55  209.975  3199.21  171.085  139.528   4.9305  144.553   3.8776 -5.025314 6.272600 
1 1 1    4    2   62 o   41.760   4.4943  270.502   56.382  254.249   92.424  280.135   71.156   39.842   7.8793   42.313   5.6508 -2.470432 9.696177 
1 1 1    4    2   63 o  132.229   3.3941  2676.84  136.985  2779.31  199.748  2585.86  188.218  134.510   4.8653  129.764   4.7522 4.746216 6.801054 
1 1 1    4    3    0 o  555.778   14.215 47316.42  2407.74 47316.42  2407.74 47316.42  2407.74  555.778   14.215  555.778   14.215 0.000000 0.000000 
1 1 1    4    3    1 o  273.948   5.4827 11459.21  458.436 11451.79  681.486 11465.34  619.578  273.772   8.1555  273.961   7.4095 -0.1899109 11.01878 
1 1 1    4    3    2 o  265.612   11.903 10794.40  965.000   0.0000   0.0000 10794.40  965.000  ?   ?   265.612   11.903 0.000000 11.90317 
1 1 1    4    3    3 o  272.940   10.227 11391.33  851.962 11215.77  1044.33 11740.63  1473.11  270.689   12.640  276.016   17.577 -5.327087 21.65019 
1 1 1    4    3    4 f  310.721   7.7798 14751.86  737.831 16699.75  1357.38 13934.96  879.036  330.208   13.468  301.905   9.5394 28.30258 16.50401 
1 1 1    4    3    5 o  623.015   14.815 59505.08  2817.22 58402.20  3053.74 65808.80  7300.73  616.937   16.217  646.513   37.154 -29.57556 40.53875 
1 1 1    4    3    6 o  672.278   10.300 69134.32  2113.58 70670.16  3440.84 68203.66  2678.47  678.445   16.616  667.250   13.152 11.19470 21.19118 
1 1 1    4    3    7 f  369.742   5.8353 20880.06  658.537 20794.63  834.429 21021.15  1072.31  368.895   7.4109  370.747   9.4760 -1.852570 12.02979 
1 1 1    4    3    8 o  161.583   3.8455  3986.04  189.656  3618.80  280.556  4295.09  257.370  153.920   5.9718  167.708   5.0279 -13.78851 7.806561 
1 1 1    4    3    9 o  142.307   5.8606  3093.40  254.557   0.0000   0.0000  3093.40  254.557  ?   ?   142.307   5.8606 0.000000 5.860586 
1 1 1    4    3   10 o  161.113   4.4327  3963.51  217.979  4468.36  601.791  3887.27  233.859  170.404   11.640  159.548   4.8023 10.85617 12.59172 
1 1 1    4    3   11 o  242.540   5.9675  8986.22  441.765  8786.68  511.983  9567.70  873.990  239.788   6.9954  249.936   11.457 -10.14790 13.42357 
1 1 1    4    3   12 o  442.658   6.5739 29938.52  888.196 29719.74  1104.99 30337.93  1493.04  440.894   8.2112  445.137   10.989 -4.242310 13.71801 
1 1 1    4    3   13 o  497.264   9.2719 37817.51  1407.25 35897.57  1989.68 39739.26  1990.62  483.902   13.471  509.247   12.807 -25.34564 18.58739 
1 1 1    4    3   14 o  299.062   13.048 13701.68  1191.06 14229.48  1691.35 13182.45  1677.57  303.661   18.335  292.129   18.916 11.53140 26.34322 
1 1 1    4    3   15 o  142.912   4.3688  3118.09  190.564  3102.58  206.310  3208.28  497.343  142.551   4.7417  144.358   11.380 -1.807312 12.32815 
1 1 1    4    3   16 o  642.544   12.592 63182.24  2469.52 62185.56  7287.26 63311.55  2624.83  629.331   38.117  643.088   13.373 -13.75671 40.39486 
1 1 1    4    3   17 o  410.301   6.3565 25707.76  796.042 25488.85  1426.91 25806.68  959.176  408.264   11.451  411.033   7.6455 -2.768250 13.76863 
1 1 1    4    3   18 o  593.074   9.4023 53745.26  1702.01 52883.93  2494.94 54495.03  2327.75  587.873   13.905  596.885   12.777 -9.012512 18.88361 
1 1 1    4    3   19 o  116.976   2.6366  2088.42   94.136  2114.63  168.990  2076.63  113.351  117.696   4.7042  116.643   3.1838 1.053009 5.680326 
1 1 1    4    3   20 o  197.290   3.3346  5940.97  200.801  6066.25  322.137  5861.36  256.795  199.338   5.2946  195.955   4.2935 3.383560 6.816679 
1 1 1    4    3   21 o  548.242   6.0091 45890.41  1005.54 46959.21  1398.61 44746.83  1446.71  554.481   8.2641  541.234   8.7575 13.24683 12.04109 
1 1 1    4    3   22 o  527.320   8.3319 42471.81  1341.02 43522.15  1834.67 41266.91  1965.03  533.615   11.264  519.522   12.392 14.09320 16.74678 
1 1 1    4    3   23 o  391.078   5.8224 23350.34  694.992 23774.67  851.160 22501.54  1203.84  394.576   7.0675  383.735   10.278 10.84109 12.47364 
1 1 1    4    3   24 o  257.215   5.8070 10101.02  455.900 10186.61  517.802  9805.90  961.537  258.287   6.5682  253.236   12.440 5.050858 14.06755 
1 1 1    4    3   25 o  409.325   7.2845 25587.22  910.091 25789.49  1238.00 25349.37  1342.46  410.820   9.8730  407.249   10.800 3.571411 14.63277 
1 1 1    4    3   26 o  1054.97   16.898 170503.70  5441.31 174140.41  7178.81 165593.20  8341.82  1064.71   22.090  1036.82   26.360 27.89221 34.39205 
1 1 1    4    3   27 o  668.295   7.2203 68208.61  1472.79 68301.14  2468.50 68157.47  1835.22  668.310   12.101  667.911   9.0023 0.3996582 15.08269 
1 1 1    4    3   28 o   93.198   2.8902  1325.72   82.216  1318.83  114.470  1333.07  118.161   92.950   4.0348   93.450   4.1427 -0.4999313 5.782856 
1 1 1    4    3   29 o  262.716   8.6432 10544.92  693.071 11001.68  1403.26 10397.56  797.074  267.349   17.289  260.824   10.012 6.525055 19.97905 
1 1 1    4    3   30 o  419.739   7.5237 26910.75  963.890 27979.63  3265.16 26808.71  1008.85  425.357   25.263  418.924   7.8900 6.432495 26.46653 
1 1 1    4    3   31 o  184.045   2.4951  5169.86  140.162  5275.85  235.239  5111.52  174.524  185.905   4.1457  182.998   3.1246 2.906891 5.191343 
1 1 1    4    3   32 o  311.627   5.4650 14828.13  519.811 15330.87  1110.54 14687.09  588.228  316.579   11.493  310.117   6.2145 6.461700 13.06556 
1 1 1    4    3   33 o  337.283   4.6156 17368.28  475.164 17562.28  706.271 17207.85  642.249  339.077   6.8243  335.662   6.2688 3.415009 9.266521 
1 1 1    4    3   34 o  435.845   5.7075 29011.46  759.275 28838.06  1129.11 29154.60  1025.85  434.346   8.5169  436.788   7.6948 -2.442657 11.47817 
1 1 1    4    3   35 o  414.313   5.0870 26214.57  643.289 26437.73  1257.49 26135.47  748.667  415.673   9.9115  413.636   5.9300 2.036865 11.54996 
1 1 1    4    3   36 o  120.485   2.1623  2215.74   79.519  2169.75   91.117  2362.68  162.871  119.225   2.5039  124.389   4.2899 -5.163994 4.967146 
1 1 1    4    3   37 o  638.151   13.126 62548.00  2556.63 64943.96  4360.28 61292.69  3156.10  646.488   22.097  630.588   16.398 15.89966 27.51683 
1 1 1    4    3   38 o  150.701   3.5359  3467.78  162.640  3472.24  220.341  3462.44  241.070  150.764   4.7883  150.536   5.2467 0.2277832 7.103188 
1 1 1    4    3   39 o  648.065   7.6192 64271.95  1507.11 64944.50  1986.53 63359.89  2313.35  650.800   10.001  642.216   11.802 8.584717 15.46910 
1 1 1    4    3   40 o  285.438   3.7103 12442.75  323.252 12888.28  522.229 12166.02  411.576  290.348   5.8928  282.181   4.7786 8.167267 7.586896 
1 1 1    4    3   41 o  391.633   7.2734 23474.38  869.430 23151.64  1229.60 23797.07  1229.52  388.355   10.373  393.763   10.230 -5.407593 14.56924 
1 1 1    4    3   42 o  200.752   3.2265  6154.17  197.702  6496.44  371.410  6018.84  233.536  206.114   5.9038  198.507   3.8544 7.606369 7.050619 
1 1 1    4    3   43 o  379.585   8.8428 22094.37  1024.51 21192.56  2659.97 22251.45  1110.15  365.563   23.972  380.780   9.5519 -15.21738 25.80519 
1 1 1    4    3   44 o  182.795   2.8869  5102.11  161.070  5229.48  195.046  4829.01  285.608  185.041   3.4534  177.724   5.2651 7.316818 6.296634 
1 1 1    4    3   45 o  257.258   3.1086 10106.68  244.093 10242.82  409.630 10031.72  303.951  258.834   5.1851  256.255   3.8861 2.579224 6.479703 
1 1 1    4    3   46 o  197.443   2.6277  5952.21  158.354  6157.96  276.182  5851.45  193.280  200.732   4.5078  195.740   3.2351 4.992157 5.548518 
1 1 1    4    3   47 o  282.201   4.2510 12169.31  366.154 12026.99  605.157 12251.51  459.888  280.226   7.0753  283.049   5.3232 -2.822601 8.854134 
1 1 1    4    3   48 o   94.844   2.6352  1373.48   76.285  1240.27   92.733  1652.33  134.167   90.113   3.3715  103.986   4.2272 -13.87298 5.407101 
1 1 1    4    3   49 f  116.914   2.2984  2086.83   82.016  2130.80  107.419  2025.36  127.001  118.123   2.9794  115.146   3.6136 2.977226 4.683482 
1 1 1    4    3   50 o   46.692   3.8834  335.388   54.842  324.451   59.816  393.060  137.356   45.874   4.3231   49.783   9.3837 -3.909771 10.33167 
1 1 1    4    3   51 o   26.965   6.3211  115.798   51.120  102.752   55.345  191.587  133.397   25.489   6.9311   35.433   11.096 -9.943544 13.08270 
1 1 1    4    3   52 o  215.257   4.1759  7081.60  274.365  7068.93  297.195  7154.68  713.809  215.037   4.5281  215.191   10.903 -0.1544495 11.80621 
1 1 1    4    3   53 o  248.930   3.3933  9466.43  257.822  9478.59  333.171  9448.28  407.058  249.004   4.3837  248.500   5.3668 0.5042725 6.929583 
1 1 1    4    3   54 o  223.137   3.1690  7605.87  215.831  7563.05  282.836  7665.57  333.954  222.430   4.1661  223.862   4.8875 -1.432297 6.422151 
1 1 1    4    3   55 o  304.485   5.5535 14194.51  516.123 14229.92  831.821 14172.35  658.128  304.080   8.9624  303.938   7.0943 0.1417542 11.43038 
1 1 1    4    3   56 o  349.946   4.5484 18733.73  485.826 18652.12  687.027 18815.35  687.094  348.763   6.4540  350.293   6.4264 -1.529816 9.107817 
1 1 1    4    3   57 o  135.002   2.2407  2783.23   92.330  2900.20  138.148  2688.79  124.123  137.759   3.2856  132.655   3.0656 5.104126 4.493619 
1 1 1    4    3   58 o  204.139   3.7104  6372.37  231.185  6583.09  301.279  6070.63  360.532  207.354   4.7603  198.940   5.9375 8.414108 7.610173 
1 1 1    4    3   59 o   72.868   4.2776  815.545   94.720  1075.56  445.401  803.228   96.938   80.236   18.557   72.299   4.4140 7.937561 19.07454 
1 1 1    4    3   60 o  182.029   3.6908  5069.79  205.061  4892.01  345.639  5166.35  254.735  178.359   6.3491  183.632   4.5449 -5.273346 7.808146 
1 1 1    4    3   61 o   82.048   4.0118  1030.99  100.467  1089.88  171.727  1000.35  123.880   83.822   6.7700   80.579   5.0626 3.242531 8.453556 
1 1 1    4    3   62 o  176.102   3.3603  4746.19  180.616  4776.71  221.196  4685.13  312.872  176.544   4.1049  174.458   5.8757 2.085815 7.167577 
1 1 1    4    3   63 o  106.181   2.7575  1724.31   89.367  1596.04  327.155  1734.65   92.901  100.073   10.886  106.491   2.8582 -6.417824 11.25532 
1 1 1    4    4    0 f  475.843   29.054 35242.54  4183.70 35242.54  4183.70 35242.54  4183.70  475.843   29.054  475.843   29.054 0.000000 0.000000 
1 1 1    4    4    1 o  114.549   4.2007  2003.22  146.868  1990.71  161.046  2065.05  357.973  114.186   4.6208  115.747   10.238 -1.561256 11.23270 
1 1 1    4    4    2 o  506.291   13.840 39278.98  2138.66   0.0000   0.0000 39278.98  2138.66  ?   ?   506.291   13.840 0.000000 13.83963 
1 1 1    4    4    3 o  286.078   8.1882 12508.23  714.975 11778.94  786.609 15974.09  1714.81  277.555   9.2852  321.979   17.515 -44.42404 19.82390 
1 1 1    4    4    4 o  207.676   4.5959  6585.18  291.321  6353.80  412.082  6816.35  411.899  203.942   6.6200  211.242   6.3884 -7.300186 9.199821 
1 1 1    4    4    5 o  389.491   5.9719 23171.35  709.948 23294.36  899.923 22968.63  1155.28  390.424   7.5518  387.507   9.7677 2.916626 12.34658 
1 1 1    4    4    6 o  376.804   5.8690 21686.62  674.994 21933.45  855.636 21279.88  1098.36  378.846   7.3996  372.981   9.6481 5.865356 12.15893 
1 1 1    4    4    7 o  626.704   15.743 60328.19  3011.32 64021.40  7200.87 59545.42  3315.12  635.250   37.302  622.165   17.457 13.08521 41.18496 
1 1 1    4    4    8 o  419.529   6.6939 26892.86  857.157 25034.37  1484.14 27823.04  1049.97  404.229   12.029  426.607   8.0637 -22.37735 14.48174 
1 1 1    4    4    9 o  232.802   4.4945  8275.64  319.360  7979.48  517.048  8458.31  406.081  228.489   7.4139  235.319   5.6538 -6.830139 9.323709 
1 1 1    4    4   10 o  329.324   5.0185 16562.79  504.449 16526.13  659.761 16614.38  782.682  328.878   6.5726  329.677   7.7782 -0.7987976 10.18329 
1 1 1    4    4   11 o  637.879   9.3308 62240.45  1816.66 59293.36  2301.91 67107.07  2958.05  622.097   12.123  661.222   14.657 -39.12512 19.02083 
1 1 1    4    4   12 o  220.460   4.5289  7421.08  304.746  8874.16  762.369  7144.74  332.464  240.819   10.372  216.303   5.0358 24.51552 11.52975 
1 1 1    4    4   13 o  441.245   7.3067 29748.90  984.052 30399.37  1451.28 29195.33  1338.83  445.739   10.667  436.886   10.040 8.852448 14.64909 
1 1 1    4    4   14 o  288.326   7.0094 12699.58  616.850 13747.86  1600.83 12516.79  668.471  298.680   17.638  286.216   7.6520 12.46481 19.22642 
1 1 1    4    4   15 o  100.166   7.1473  1540.36  217.081   0.0000   0.0000  1540.36  217.081  ?   ?   100.166   7.1473 0.000000 7.147346 
1 1 1    4    4   16 o  511.319   8.4062 39944.41  1311.92 40153.64  1934.74 39766.32  1784.96  512.323   12.373  509.933   11.468 2.390228 16.87018 
1 1 1    4    4   17 o  217.125   3.2469  7195.71  215.175  7394.95  312.325  7015.69  296.870  220.093   4.6493  214.377   4.5370 5.716522 6.496168 
1 1 1    4    4   18 o  654.412   10.366 65450.50  2070.55 65457.16  2831.76 65442.86  3035.22  654.037   14.185  653.834   15.209 0.2024536 20.79760 
1 1 1    4    4   19 o  172.983   4.1422  4567.59  218.701  4709.58  397.795  4506.08  261.820  175.609   7.4216  171.805   4.9929 3.803009 8.944752 
1 1 1    4    4   20 o  218.753   3.2556  7303.83  217.374  7326.38  406.626  7294.81  257.211  219.055   6.0817  218.612   3.8548 0.4426117 7.200450 
1 1 1    4    4   21 o  594.844   7.8285 54039.97  1421.35 54479.32  1961.61 53554.33  2062.36  597.060   10.764  591.917   11.415 5.142090 15.68993 
1 1 1    4    4   22 o  226.158   4.0278  7807.23  278.030  7821.37  380.427  7791.03  407.338  226.343   5.5066  225.897   5.9078 0.4457397 8.076227 
1 1 1    4    4   23 o  442.412   6.5985 29886.67  891.028 29732.07  1108.13 30169.46  1498.73  441.200   8.2289  444.282   11.052 -3.082550 13.77913 
1 1 1    4    4   24 o  329.247   3.8585 16546.85  387.756 16320.51  548.253 16773.39  548.487  326.956   5.4938  331.463   5.4214 -4.507050 7.718425 
1 1 1    4    4   25 o  350.079   4.7930 18709.05  512.144 17906.95  706.199 19598.91  743.827  342.441   6.7565  358.252   6.8025 -15.81140 9.587720 
1 1 1    4    4   26 o  310.184   4.2494 14687.00  402.312 14954.22  556.440 14394.30  582.355  312.959   5.8252  307.034   6.2142 5.924744 8.517603 
1 1 1    4    4   27 o  868.585   11.966 115370.10  3172.22 116644.80  4183.66 113645.90  4865.56  872.731   15.706  860.853   18.518 11.87769 24.28117 
1 1 1    4    4   28 o  393.909   6.0742 23692.62  730.302 22751.67  1229.27 24205.87  907.889  385.803   10.439  398.097   7.4718 -12.29361 12.83757 
1 1 1    4    4   29 o  930.357   13.686 132470.50  3886.29 131644.30  6532.48 132923.09  4834.98  925.018   23.137  931.226   17.011 -6.207825 28.71749 
1 1 1    4    4   30 o  368.237   6.5903 20708.13  740.715 22179.32  1856.12 20429.46  807.828  380.453   15.984  365.725   7.2368 14.72864 17.54597 
1 1 1    4    4   31 o  243.160   4.1905  9026.10  311.009  9097.06  393.834  8908.52  506.943  244.092   5.2862  241.510   6.8771 2.582245 8.674010 
1 1 1    4    4   32 o  157.566   2.7541  3789.41  132.454  3997.05  192.885  3604.12  182.206  161.814   3.9054  153.654   3.8851 8.159042 5.508734 
1 1 1    4    4   33 o  459.546   6.8682 32260.31  963.363 33871.36  1668.48 31454.62  1179.91  470.455   11.619  453.652   8.5214 16.80243 14.40923 
1 1 1    4    4   34 o  126.450   2.4618  2440.54   95.014  2692.57  137.126  2207.80  131.775  132.810   3.3828  120.259   3.5900 12.55054 4.932683 
1 1 1    4    4   35 o  243.789   3.1962  9072.81  237.827  9205.11  276.334  8694.87  467.060  245.548   3.6871  238.552   6.4146 6.996323 7.398787 
1 1 1    4    4   36 o  286.803   5.1189 12564.37  448.103 13189.34  569.237 11546.06  726.614  293.779   6.3483  274.708   8.6659 19.07169 10.74240 
1 1 1    4    4   37 o  562.832   7.4908 48451.20  1286.84 49565.52  1775.81 47218.99  1867.39  568.724   10.230  554.915   11.025 13.80969 15.04034 
1 1 1    4    4   38 o  370.600   4.2916 20977.64  485.448 21465.85  686.196 20488.50  686.858  374.741   5.9993  366.096   6.1469 8.645081 8.589280 
1 1 1    4    4   39 f  329.772   4.6360 16613.88  466.634 17338.40  871.375 16322.56  552.539  336.470   8.4848  326.794   5.5395 9.676025 10.13301 
1 1 1    4    4   40 o  172.168   2.8569  4525.60  150.129  4667.91  307.963  4481.24  171.944  174.739   5.7742  171.310   3.2884 3.428757 6.644934 
1 1 1    4    4   41 f  166.066   3.0822  4210.96  156.229  4356.62  203.852  4003.64  243.203  168.885   3.9546  161.861   4.9228 7.024857 6.314502 
1 1 1    4    4   42 o  114.875   2.7930  2014.84   97.930  2324.62  170.794  1863.10  119.531  123.344   4.5367  110.450   3.5457 12.89460 5.757875 
1 1 1    4    4   43 o  461.618   5.6761 32585.70  799.741 33666.98  1264.89 31865.58  1032.25  468.543   8.8448  456.166   7.4139 12.37717 11.54103 
1 1 1    4    4   44 o  228.272   3.4014  7958.37  236.991  8107.30  429.130  7893.02  284.274  230.204   6.1075  227.294   4.0976 2.909439 7.354695 
1 1 1    4    4   45 o  262.451   3.7928 10522.32  303.830  9921.29  581.908 10747.58  356.245  254.481   7.4917  265.200   4.4011 -10.71860 8.688804 
1 1 1    4    4   46 o  161.999   2.7733  4007.26  137.128  4086.52  198.875  3935.42  189.334  163.546   3.9840  160.499   3.8649 3.046799 5.550675 
1 1 1    4    4   47 o   43.121   2.7937  285.113   36.572  248.804   43.313  375.288   68.258   40.201   3.5670   49.340   4.5849 -9.139526 5.809042 
1 1 1    4    4   48 o  221.833   3.0450  7515.06  206.174  7571.43  235.502  7330.09  426.611  222.641   3.4655  218.836   6.3870 3.805740 7.266623 
1 1 1    4    4   49 o  154.619   3.0566  3650.99  144.249  3569.11  179.928  3798.29  241.331  152.844   3.8569  157.615   5.0165 -4.770874 6.327753 
1 1 1    4    4   50 o  112.048   2.3858  1916.83   81.594  1873.88  103.426  1987.62  132.781  110.770   3.0591  114.060   3.8141 -3.289696 4.889284 
1 1 1    4    4   51 o  309.332   5.8960 14643.42  556.671 15199.13  782.387 14073.68  792.207  314.751   8.1440  302.787   8.5720 11.96347 11.82390 
1 1 1    4    4   52 o  140.404   3.1260  3010.96  133.964  3082.76  163.127  2862.23  234.776  142.042   3.7626  136.766   5.6242 5.276001 6.766743 
1 1 1    4    4   53 o  154.563   3.8371  3650.74  181.019  3570.30  243.092  3750.84  271.209  152.765   5.2135  156.544   5.6761 -3.779037 7.707082 
1 1 1    4    4   54 o   24.010   4.5050   91.032   31.802   74.313   46.023  106.310   43.996   21.864   6.4530   25.848   5.7273 -3.984192 8.627995 
1 1 1    4    4   55 o  169.546   3.7323  4393.50  193.146  4469.01  286.516  4330.60  261.494  170.848   5.4944  168.219   5.0929 2.628220 7.491784 
1 1 1    4    4   56 o   85.359   2.9634  1113.09   77.207  1249.30  159.587  1071.47   88.219   90.110   5.8337   83.732   3.4519 6.377686 6.778468 
1 1 1    4    4   57 o   93.725   2.5881  1341.78   74.037  1428.97  162.457  1318.93   83.176   96.412   5.5440   92.912   2.9330 3.500221 6.272027 
1 1 1    4    4   58 o  295.651   4.6020 13381.73  415.279 13273.13  506.847 13603.53  724.354  294.216   5.6441  297.154   7.9864 -2.937592 9.779512 
1 1 1    4    4   59 o   58.391   2.9037  521.078   51.750  516.445   64.891  529.174   85.774   57.989   3.6853   58.571   4.8414 -0.5813751 6.084472 
1 1 1    4    4   60 o   94.225   3.1643  1357.61   91.004  1416.79  128.515  1298.08  128.886   96.170   4.3782   92.036   4.5880 4.134117 6.341822 
1 1 1    4    4   61 o   57.208   5.3143  506.913   91.734  430.456  568.320  508.958   92.953   57.778   22.459   57.314   5.3763 0.4640503 23.09363 
1 1 1    4    4   62 o   53.612   5.3357  446.143   86.152  453.534  100.715  425.985  166.327   53.895   6.2378   51.121   10.987 2.773899 12.63413 
1 1 1    4    4   63 o   60.008   3.2794  552.893   59.838  572.079   70.860  505.206  111.716   60.978   3.8267   56.819   6.5625 4.158810 7.596705 
1 1 1    4    5    0 o  593.939   36.031 55286.32  6476.79 55286.32  6476.79 55286.32  6476.79  593.939   36.031  593.939   36.031 0.000000 0.000000 
1 1 1    4    5    1 o  276.686   5.7027 11692.68  481.595 11961.06  681.162 11424.43  680.996  279.734   7.9779  273.377   8.1614 6.357178 11.41294 
1 1 1    4    5    2 o  271.573   5.6292 11264.49  466.609 11137.98  659.923 11390.97  659.848  269.933   8.0098  272.986   7.9193 -3.053436 11.26374 
1 1 1    4    5    3 o  774.489   32.455 94034.85  7672.04 98293.79 10850.49 89776.84 10849.31  780.578   45.742  743.832   48.044 36.74652 66.33663 
1 1 1    4    5    4 o  310.529   7.8549 14740.03  744.490 14047.54  887.834 16380.42  1366.46  303.026   9.5992  326.812   13.699 -23.78561 16.72727 
1 1 1    4    5    5 o  120.416   4.4110  2214.02  162.119  2451.73  430.065  2174.65  175.032  126.031   11.300  119.335   4.8054 6.696663 12.27927 
1 1 1    4    5    6 o  357.293   8.9526 19524.81  976.319 18790.62  1164.58 21261.14  1790.94  350.327   10.891  371.985   15.774 -21.65881 19.16860 
1 1 1    4    5    7 o  657.727   12.559 66308.23  2521.33 65454.50  3565.74 67161.91  3565.66  652.015   17.917  660.539   17.686 -8.523926 25.17578 
1 1 1    4    5    8 o  266.087   5.2962 10813.56  430.135 10748.85  581.888 10891.52  638.676  265.203   7.1886  266.921   7.8394 -1.718292 10.63632 
1 1 1    4    5    9 o  173.396   4.0277  4590.48  213.163  4590.48  213.163   0.0000   0.0000  173.396   4.0277  ?   ?  0.000000 4.027682 
1 1 1    4    5   10 f  485.841   8.5460 36090.46  1267.28 36406.26  1792.26 35774.69  1792.16  487.510   12.045  483.247   12.150 4.263031 17.10877 
1 1 1    4    5   11 o  208.713   5.4801  6652.72  349.103  7670.14  917.468  6480.48  377.500  223.291   13.526  205.979   6.0045 17.31265 14.79849 
1 1 1    4    5   12 o  261.003   4.8610 10401.69  387.245 11290.97  602.960  9777.39  505.209  271.845   7.2669  252.997   6.5424 18.84843 9.778115 
1 1 1    4    5   13 o  377.678   12.857 21839.34  1482.07   0.0000   0.0000 21839.34  1482.07  ?   ?   377.678   12.857 0.000000 12.85671 
1 1 1    4    5   14 o  231.014   4.5031  8147.35  317.520   0.0000   0.0000  8147.35  317.520  ?   ?   231.014   4.5031 0.000000 4.503143 
1 1 1    4    5   15 o  584.753   8.9076 52248.24  1589.83 47568.54  2849.36 54363.70  1915.76  557.074   16.758  596.327   10.525 -39.25293 19.78915 
1 1 1    4    5   16 o  348.989   5.9423 18596.42  632.974 19168.69  933.577 18109.52  861.127  354.219   8.6350  344.312   8.1940 9.906952 11.90400 
1 1 1    4    5   17 o  568.718   11.982 49455.65  2079.86 55604.45  5783.12 48542.20  2229.00  598.774   31.757  563.349   12.963 35.42505 34.30080 
1 1 1    4    5   18 o  569.946   7.1353 49606.42  1241.26 56588.29  2188.21 46294.02  1507.21  608.394   11.784  550.485   8.9704 57.90839 14.80973 
1 1 1    4    5   19 o  626.196   12.827 59964.19  2451.62 65359.31  4178.78 57132.56  3027.38  652.649   20.977  610.858   16.237 41.79120 26.52729 
1 1 1    4    5   20 o  237.266   4.0160  8592.94  290.835  8724.29  368.020  8374.46  474.632  239.059   5.0437  234.190   6.6401 4.868454 8.338428 
1 1 1    4    5   21 o  807.573   12.531 99720.20  3088.76 104228.10  5867.08 97991.73  3632.98  823.680   23.337  800.230   14.874 23.44965 27.67414 
1 1 1    4    5   22 o  359.447   5.1094 19724.14  560.555 20194.10  706.469 18925.39  921.025  363.671   6.3645  351.990   8.5728 11.68149 10.67711 
1 1 1    4    5   23 o  252.784   4.0788  9753.94  314.703  9513.65  503.570  9907.93  403.120  249.608   6.6097  254.755   5.1843 -5.147278 8.400364 
1 1 1    4    5   24 o  255.558   3.6312  9968.78  283.239 10080.70  343.159  9729.57  501.692  256.978   4.3750  252.424   6.5116 4.554031 7.844875 
1 1 1    4    5   25 o  368.491   4.4239 20727.99  497.565 20216.11  646.488 21471.81  779.303  363.877   5.8209  374.976   6.8090 -11.09885 8.957994 
1 1 1    4    5   26 o  673.383   7.9832 69263.01  1640.79 70155.54  2518.62 68604.91  2162.70  677.305   12.183  669.950   10.576 7.354919 16.13351 
1 1 1    4    5   27 o  251.673   3.3067  9667.87  254.012  9710.18  391.311  9637.05  333.930  252.196   5.0835  251.257   4.3543 0.9388733 6.693461 
1 1 1    4    5   28 o  541.598   7.1478 44799.63  1181.60 46347.50  1715.14 43401.36  1630.15  550.656   10.205  532.881   10.023 17.77417 14.30349 
1 1 1    4    5   29 o  437.211   7.6658 29198.92  1022.97 27640.51  3462.63 29347.95  1070.77  422.350   27.002  438.307   8.0039 -15.95694 28.16323 
1 1 1    4    5   30 o   94.489   2.4099  1362.67   69.501  1468.16  145.571  1331.52   79.099   98.064   4.8635   93.401   2.7746 4.662308 5.599291 
1 1 1    4    5   31 o  427.633   5.3201 27922.06  694.391 27454.94  1099.37 28232.11  895.670  423.875   8.4975  429.930   6.8255 -6.055389 10.89929 
1 1 1    4    5   32 o  415.438   5.9799 26357.53  758.256 26695.13  1195.65 26130.40  980.691  417.877   9.3743  413.545   7.7695 4.332153 12.17548 
1 1 1    4    5   33 o  243.220   3.1955  9029.92  237.219  9021.42  362.437  9036.29  313.760  243.068   4.8853  243.285   4.2254 -0.2166290 6.459069 
1 1 1    4    5   34 o  364.068   4.7893 20240.17  532.191 20405.46  736.365 20059.43  770.026  365.452   6.6015  362.317   6.9631 3.135223 9.595025 
1 1 1    4    5   35 f  323.564   7.0455 16002.16  695.805 15879.92  790.256 16423.80  1467.69  322.250   8.0345  326.950   14.707 -4.699951 16.75887 
1 1 1    4    5   36 o  652.491   11.987 65315.97  2387.18 67533.55  3114.21 62156.40  3717.25  662.345   15.404  633.912   19.212 28.43292 24.62525 
1 1 1    4    5   37 o  411.654   6.0883 25901.82  764.973 26067.52  1007.70 25676.47  1175.18  412.735   7.9992  409.417   9.4042 3.317902 12.34604 
1 1 1    4    5   38 o  111.945   2.7695  1913.16   94.628  1989.96  117.584  1772.01  159.416  114.160   3.3746  107.696   4.8497 6.463699 5.908249 
1 1 1    4    5   39 o  273.230   4.6368 11405.59  386.693 12441.11  670.750 10890.09  473.256  285.091   7.7083  266.902   5.8093 18.18945 9.652289 
1 1 1    4    5   40 o  199.889   3.2183  6101.06  196.350  6841.97  394.483  5857.06  226.385  211.524   6.1101  195.829   3.7875 15.69463 7.188812 
1 1 1    4    5   41 o  292.715   4.1987 13089.26  375.122 13425.43  544.849 12786.30  517.232  296.292   6.0248  289.169   5.8603 7.122437 8.404782 
1 1 1    4    5   42 o   71.594   2.4327  782.526   53.160  785.356  107.866  781.619   61.095   71.511   4.9729   71.549   2.7976 -0.3795624E-01 5.705787 
1 1 1    4    5   43 o  173.206   2.8807  4580.85  152.294  4656.08  295.318  4553.60  177.752  174.497   5.5448  172.673   3.3727 1.823990 6.489940 
1 1 1    4    5   44 o  105.409   2.4786  1696.36   79.746  1810.89  115.707  1592.74  110.060  108.887   3.4815  102.117   3.5311 6.770248 4.958803 
1 1 1    4    5   45 o  221.704   2.8152  7505.42  190.500  7306.10  273.788  7692.48  265.231  218.673   4.1021  224.395   3.8725 -5.721924 5.641228 
1 1 1    4    5   46 o  343.313   4.4435 18012.74  465.625 19339.17  803.933 17343.18  571.180  355.283   7.4136  336.738   5.5573 18.54480 9.265256 
1 1 1    4    5   47 o  258.144   3.6241 10179.46  285.546 10375.08  334.600  9655.15  547.794  260.569   4.2071  251.062   7.1486 9.507126 8.294691 
1 1 1    4    5   48 o   97.531   2.9710  1452.64   88.444  1461.88   90.965  1292.82  378.238   97.840   3.0461   90.335   14.185 7.504578 14.50879 
1 1 1    4    5   49 o  325.748   5.0959 16225.39  506.664 16347.01  788.536 16139.88  661.221  326.520   7.9122  324.664   6.6726 1.856384 10.35017 
1 1 1    4    5   50 f   78.288   4.1156  939.182   97.998  937.328  106.408  949.545  251.508   78.182   4.4778   77.787   10.892 0.3945770 11.77632 
1 1 1    4    5   51 o   63.783   3.4873  623.334   67.633  599.366   90.910  653.042  101.213   62.426   4.8082   65.144   5.1319 -2.718094 7.032452 
1 1 1    4    5   52 o  289.401   4.2288 12801.54  373.538 12767.39  431.702 12903.28  745.125  288.938   4.8951  289.882   8.4215 -0.9432678 9.740859 
1 1 1    4    5   53 o  249.693   8.4596  9578.48  644.721 10115.57  921.751  9064.04  902.112  255.793   11.806  241.713   12.268 14.08020 17.02602 
1 1 1    4    5   54 o  160.873   3.7022  3955.10  181.785  4272.24  260.205  3652.74  254.070  167.094   5.1020  154.482   5.3884 12.61261 7.420566 
1 1 1    4    5   55 o  167.598   3.2924  4291.86  168.420  4899.67  846.049  4266.78  171.859  176.064   15.916  167.102   3.3696 8.961838 16.26856 
1 1 1    4    5   56 o  198.121   5.4746  6012.32  331.056  5870.77  408.875  6281.76  564.098  195.572   6.8496  201.848   9.1561 -6.275864 11.43469 
1 1 1    4    5   57 o   42.217   3.9131  274.896   49.849  249.333   85.900  287.877   61.211   39.649   7.3693   43.110   4.7297 -3.460186 8.756540 
1 1 1    4    5   58 o  129.304   3.1909  2555.61  125.934  2660.10  149.370  2298.76  234.187  131.884   3.7107  122.195   6.3005 9.688713 7.311969 
1 1 1    4    5   59 o  158.258   2.8622  3827.84  138.258  4017.11  253.216  3747.45  165.028  161.864   5.1254  156.536   3.4540 5.328278 6.180593 
1 1 1    4    5   60 o   82.095   2.9449  1030.38   73.791  1026.04  144.542  1031.91   85.817   81.502   5.8493   82.130   3.4234 -0.6278915 6.777442 
1 1 1    4    5   61 o   33.939   6.6414  183.616   66.334  215.004  122.241  170.516   78.973   36.595   10.435   32.544   8.0056 4.050720 13.15183 
1 1 1    4    5   62 o  170.719   3.6336  4463.60  189.335  4621.37  327.859  4384.66  231.915  173.124   6.2046  169.044   4.4948 4.080505 7.661604 
1 1 1    4    5   63 o   84.475   2.9702  1091.92   76.582  1230.49  161.112  1051.48   87.045   89.128   5.9567   82.858   3.4418 6.269836 6.879525 
1 1 1    4    6    2 o  358.413   9.2012 19650.46  1006.57 19920.22  2411.28 19593.53  1107.70  358.198   22.164  357.803   10.143 0.3944092 24.37454 
1 1 1    4    6    3 f  213.582   8.3637  6975.22  545.232  6974.09  667.734  6977.48  944.469  213.461   10.249  212.697   14.637 0.7639313 17.86861 
1 1 1    4    6    4 o   59.603   3.7952  544.575   68.683  657.221  179.914  525.357   74.312   64.882   9.3553   58.508   4.1889 6.373993 10.25029 
1 1 1    4    6    5 o  710.899   13.444 77510.74  2917.12 75838.25  4338.94 78890.27  3940.64  700.974   20.280  715.779   18.037 -14.80469 27.14064 
1 1 1    4    6    6 o  259.947   9.7833 10339.36  776.220 10230.63  1346.74 10393.45  949.867  257.303   17.248  260.458   11.948 -3.154785 20.98236 
1 1 1    4    6    7 f  165.481   3.9523  4180.86  199.625  4210.92  282.534  4150.89  282.092  166.041   5.5749  164.852   5.6063 1.188416 7.906357 
1 1 1    4    6    8 o  343.554   9.7242 18055.72  1019.68 18055.72  1019.68   0.0000   0.0000  343.554   9.7242  ?   ?  0.000000 9.724169 
1 1 1    4    6    9 o   77.820   10.479  943.257  242.585  943.257  242.585   0.0000   0.0000   77.820   10.479  ?   ?  0.000000 10.47942 
1 1 1    4    6   10 o  295.342   7.4039 13327.94  667.429 15047.29  1737.73 13030.41  722.874  312.325   18.309  291.991   8.1110 20.33334 20.02506 
1 1 1    4    6   11 f  674.292   15.724 69735.81  3236.16 89427.51  8390.22 66294.30  3507.57  755.414   36.389  657.054   17.490 98.35962 40.37407 
1 1 1    4    6   12 o  358.783   12.549 19701.90  1374.26   0.0000   0.0000 19701.90  1374.26  ?   ?   358.783   12.549 0.000000 12.54928 
1 1 1    4    6   13 f  296.951   4.6662 13462.06  422.925 13347.84  783.131 13509.09  502.503  295.557   8.6811  297.447   5.5349 -1.889801 10.29549 
1 1 1    4    6   14 o  529.194   8.4180 42783.50  1359.69 42491.63  2084.64 42999.59  1793.75  527.005   12.960  530.323   11.082 -3.319031 17.05171 
1 1 1    4    6   15 o  491.478   6.6104 36885.84  991.625 37408.55  1402.45 36363.25  1402.29  494.801   9.2862  487.830   9.4178 6.970398 13.22612 
1 1 1    4    6   16 o  314.950   4.9970 15143.05  480.359 13626.05  859.755 15831.53  579.194  298.631   9.4324  322.009   5.8930 -23.37769 11.12197 
1 1 1    4    6   17 o  1018.16   25.765 159545.09  8006.99 157721.20 12659.27 160761.30 10337.47  1005.75   41.238  1019.20   33.231 -13.44800 52.96098 
1 1 1    4    6   18 o  177.821   3.6078  4826.40  195.816  4876.55  287.238  4782.85  267.649  178.726   5.2655  177.004   4.9541 1.721924 7.229674 
1 1 1    4    6   19 o  282.351   4.4503 12169.42  383.528 11925.86  501.256 12513.35  595.660  279.486   5.8760  286.266   6.8173 -6.780273 9.000162 
1 1 1    4    6   20 o  976.781   17.088 146128.59  5094.49 156176.50  9628.34 142221.91  6003.75  1005.56   31.371  962.898   20.428 42.65912 37.43581 
1 1 1    4    6   21 o  681.247   9.3117 70903.45  1936.20 71308.20  2439.65 70214.67  3182.52  682.975   11.703  677.295   15.395 5.679565 19.33821 
1 1 1    4    6   22 o  647.018   11.477 63996.26  2266.55 65720.74  2725.53 60129.87  4081.09  655.451   13.624  625.865   21.364 29.58533 25.33802 
1 1 1    4    6   23 o  743.464   10.355 84474.10  2349.80 86318.64  3012.64 81608.73  3754.85  751.213   13.139  729.894   16.854 21.31921 21.37080 
1 1 1    4    6   24 o  274.855   3.4234 11530.93  287.198 11792.01  438.910 11335.45  379.792  277.921   5.1741  272.499   4.5663 5.422333 6.900920 
1 1 1    4    6   25 o  759.792   10.041 88225.05  2328.60 89129.70  2933.76 86684.73  3828.18  763.368   12.591  752.195   16.674 11.17340 20.89432 
1 1 1    4    6   26 o  421.272   6.1578 27098.93  791.781 26124.78  1266.03 27724.71  1014.71  413.443   10.033  426.038   7.8033 -12.59460 12.70998 
1 1 1    4    6   27 f  414.052   6.1071 26178.12  771.804 26201.94  1234.85 26162.85  988.719  414.060   9.7709  413.857   7.8272 0.2031250 12.51940 
1 1 1    4    6   28 o  249.654   3.9974  9514.15  304.603  9591.32  391.159  9395.26  485.521  250.644   5.1130  248.040   6.4131 2.603760 8.201886 
1 1 1    4    6   29 o  221.111   4.0034  7463.10  270.182   0.0000   0.0000  7463.10  270.182  ?   ?   221.111   4.0034 0.000000 4.003415 
1 1 1    4    6   30 o  770.109   9.7514 90658.83  2292.12 94131.05  3409.62 87795.80  3096.10  783.983   14.249  757.296   13.395 26.68622 19.55631 
1 1 1    4    6   31 o  578.518   7.2279 51127.36  1276.27 52754.73  1805.24 49501.11  1804.61  587.378   10.069  568.941   10.392 18.43707 14.47012 
1 1 1    4    6   32 o  361.108   4.3739 19908.56  482.089 19800.70  638.444 20051.64  735.329  360.073   5.8092  362.307   6.6495 -2.234039 8.829629 
1 1 1    4    6   33 o  324.295   4.1034 16056.47  406.167 15824.27  608.549 16243.00  545.433  321.856   6.1947  326.120   5.4796 -4.264404 8.270400 
1 1 1    4    6   34 o  260.486   3.7096 10359.33  294.933 10677.45  345.386  9502.76  566.744  264.438   4.2792  249.332   7.4472 15.10603 8.589086 
1 1 1    4    6   35 o   80.019   3.0594  977.489   74.721  971.828  106.586  982.959  104.780   79.651   4.4013   80.114   4.3007 -0.4629364 6.153632 
1 1 1    4    6   36 o  257.575   3.6774 10130.48  289.106 10451.93  511.177  9979.29  350.559  261.486   6.4048  255.612   4.4933 5.873932 7.823757 
1 1 1    4    6   37 o  479.952   5.8469 35208.94  856.522 34671.48  1314.96 35605.02  1128.84  475.761   9.0554  482.376   7.6671 -6.614899 11.86525 
1 1 1    4    6   38 o  137.081   3.4846  2869.46  145.796  2728.29  197.248  3039.47  216.462  133.629   4.8361  141.038   5.0284 -7.408401 6.976563 
1 1 1    4    6   39 o  148.656   3.5683  3374.75  161.906  3403.57  413.525  3369.53  175.952  148.734   9.1535  148.532   3.8811 0.2020416 9.942357 
1 1 1    4    6   40 o  305.259   4.2709 14235.32  397.925 14013.96  467.113 14820.95  759.782  302.815   5.0539  311.077   8.0021 -8.262268 9.464450 
1 1 1    4    6   41 o  407.164   5.3849 25343.80  669.217 25320.54  785.529 25405.36  1277.97  406.844   6.3258  406.732   10.294 0.1124878 12.08259 
1 1 1    4    6   42 f  180.457   2.9447  4972.43  162.192  4959.12  241.575  4983.35  218.853  180.155   4.3933  180.615   3.9699 -0.4594421 5.921254 
1 1 1    4    6   43 o  327.555   5.6590 16408.61  565.775 17302.57  1492.38 16258.56  611.417  334.365   14.623  325.992   6.1449 8.372437 15.86176 
1 1 1    4    6   44 o  349.373   4.2238 18650.81  450.416 18571.05  596.254 18756.83  687.392  348.462   5.6061  350.081   6.4331 -1.619049 8.533026 
1 1 1    4    6   45 o  139.210   2.3357  2958.67   99.245  3062.25  152.181  2882.02  130.914  141.591   3.5213  137.374   3.1222 4.216888 4.706173 
1 1 1    4    6   46 f  407.251   7.0487 25402.14  876.175 25572.43  1792.95 25348.72  1004.26  406.288   14.458  406.592   8.0922 -0.3037415 16.56882 
1 1 1    4    6   47 o  127.871   2.9125  2496.92  113.674  2415.50  135.557  2689.83  208.653  125.751   3.5318  132.632   5.1542 -6.880470 6.248132 
1 1 1    4    6   48 o  176.560   2.7050  4760.02  145.771  4579.26  307.871  4812.26  165.498  173.004   5.8303  177.513   3.0545 -4.508865 6.582032 
1 1 1    4    6   49 o   82.942   2.9992  1050.59   75.927  1049.81  137.897  1050.93   90.956   82.663   5.4968   82.943   3.5928 -0.2798309 6.566785 
1 1 1    4    6   50 o  124.077   3.7271  2352.07  141.149  2306.86  204.937  2392.87  194.687  122.801   5.4677  125.088   5.0992 -2.287430 7.476463 
1 1 1    4    6   51 o   47.013   5.1596  342.109   72.821  348.152  211.530  341.296   77.562   46.988   13.825   46.909   5.5231 0.7889557E-01 14.88714 
1 1 1    4    6   52 o  210.156   3.3213  6746.83  213.040  6865.64  297.708  6622.12  304.993  211.902   4.6030  208.092   4.8019 3.809372 6.651775 
1 1 1    4    6   53 o  121.623   2.9512  2259.36  109.554  2343.57  139.247  2122.55  177.484  123.840   3.6839  117.794   4.9365 6.045578 6.159547 
1 1 1    4    6   54 o  103.943   4.2800  1652.03  135.788  1787.18  188.323  1505.69  195.971  107.877   5.7401   98.894   6.5291 8.983467 8.693594 
1 1 1    4    6   55 o   84.995   3.2575  1103.85   84.507   0.0000   0.0000  1103.85   84.507  ?   ?    84.995   3.2575 0.000000 3.257458 
1 1 1    4    6   56 o  154.432   2.5259  3642.63  119.060  4004.59  187.677  3398.85  154.020  161.839   3.7994  149.126   3.3838 12.71321 5.087762 
1 1 1    4    6   57 o   37.231   4.1001  214.613   45.820  223.375   80.016  210.338   55.892   37.491   7.2547   36.704   5.1292 0.7869987 8.884789 
1 1 1    4    6   58 o  145.669   2.5286  3241.73  112.425  3271.30  173.942  3220.52  147.335  146.227   3.8973  145.137   3.3259 1.090424 5.123525 
1 1 1    4    6   59 o   83.365   2.8579  1062.25   72.719  1024.48  107.981  1093.60   98.370   81.673   4.3473   84.536   3.8125 -2.863258 5.782214 
1 1 1    4    6   60 o   86.074   2.8949  1132.73   76.053  1030.51  273.951  1141.26   79.165   80.282   11.509   86.392   3.0022 -6.110046 11.89426 
1 1 1    4    6   61 o  151.343   2.7559  3502.14  127.303  3512.22  231.692  3497.79  152.363  151.230   5.0194  151.187   3.3018 0.4333496E-01 6.008030 
1 1 1    4    6   62 o   32.331   8.0910  168.716   79.651  383.587  596.496  164.816   80.371   56.489   22.675   31.962   8.1986 24.52735 24.11169 
1 1 1    4    7    1 o  362.033   15.714 20133.47  1736.44 20563.40  2455.77 19703.59  2455.62  364.049   22.207  356.197   22.705 7.851898 31.75971 
1 1 1    4    7    2 o  563.509   23.665 49174.31  4070.35 46072.70  5756.06 52276.53  5756.63  539.728   35.132  576.290   32.863 -36.56183 48.10698 
1 1 1    4    7    3 o  197.480   9.6611  5965.93  582.324   0.0000   0.0000  5965.93  582.324  ?   ?   197.480   9.6611 0.000000 9.661071 
1 1 1    4    7    4 o  184.513   5.5807  5199.75  314.292  5061.51  345.021  5873.71  761.834  182.027   6.2100  195.360   12.848 -13.33322 14.27011 
1 1 1    4    7    5 o  533.628   10.277 43570.02  1673.95 42833.54  2367.39 44306.40  2367.25  528.390   14.679  537.445   14.431 -9.055054 20.58457 
1 1 1    4    7    6 o  567.795   34.570 50750.89  5962.61 50750.89  5962.61   0.0000   0.0000  567.795   34.570  ?   ?  0.000000 34.57012 
1 1 1    4    7    7 f   90.875   4.3298  1260.82  120.096  1260.82  120.096   0.0000   0.0000   90.875   4.3298  ?   ?  0.000000 4.329816 
1 1 1    4    7    8 o  119.398   11.004  2199.59  396.495  2199.59  396.495   0.0000   0.0000  119.398   11.004  ?   ?  0.000000 11.00367 
1 1 1    4    7    9 f  349.490   9.3709 18672.55  999.618 18122.10  1099.83 21286.88  2396.89  344.227   10.468  371.247   21.241 -27.02032 23.68030 
1 1 1    4    7   10 o  339.123   8.1522 17571.83  843.818 17404.44  1005.74 17969.82  1550.77  337.416   9.7657  342.471   14.836 -5.055023 17.76132 
1 1 1    4    7   11 o  434.213   26.532 29211.79  3499.41   0.0000   0.0000 29211.79  3499.41  ?   ?   434.213   26.532 0.000000 26.53160 
1 1 1    4    7   12 o  153.235   8.9557  3600.04  417.043  3445.99  612.369  3733.30  569.534  149.449   13.573  155.769   12.073 -6.320374 18.16541 
1 1 1    4    7   13 o  360.171   7.7198 19813.97  848.657 19865.60  985.862 19666.25  1667.64  360.587   8.9575  358.388   15.245 2.199524 17.68198 
1 1 1    4    7   14 o  220.186   5.5839  7402.00  375.268  7513.13  446.425  7134.35  692.830  221.814   6.5939  216.053   10.506 5.761520 12.40411 
1 1 1    4    7   15 f  296.232   6.6252 13399.81  599.028 12465.60  1674.98 13536.82  641.452  284.456   19.408  297.732   7.0587 -13.27563 20.65169 
1 1 1    4    7   16 o  396.180   5.2420 23961.97  633.883 25552.28  1211.61 23362.63  743.798  408.944   9.7069  391.166   6.2298 17.77795 11.53407 
1 1 1    4    7   17 o  1309.71   20.432 263129.00  8167.78 244783.70 12522.10 276713.81 10775.62  1258.26   32.605  1340.83   26.330 -82.57019 41.90916 
1 1 1    4    7   18 o  268.914   4.3261 11038.58  355.077 10653.03  463.800 11584.56  551.928  264.153   5.7525  275.443   6.5650 -11.29016 8.728729 
1 1 1    4    7   19 o  268.715   4.4890 11022.48  368.176 10330.17  619.924 11399.74  457.625  260.074   7.8095  273.258   5.4868 -13.18451 9.544311 
1 1 1    4    7   20 o  389.771   6.0742 23195.71  722.625 25690.46  1176.77 21685.49  915.586  410.062   9.4021  376.806   7.9609 33.25696 12.31975 
1 1 1    4    7   21 o  1121.54   18.102 192777.70  6196.54 202527.30  8430.05 181318.41  9139.34  1147.68   24.065  1084.65   27.606 63.03271 36.62302 
1 1 1    4    7   22 o  410.233   7.1295 25700.57  892.698 28497.90  1893.15 24900.74  1012.31  431.534   14.373  403.754   8.2144 27.77960 16.55491 
1 1 1    4    7   23 o  442.151   6.3048 29851.48  850.857 30369.54  1203.50 29333.78  1203.09  445.854   8.8438  438.177   8.9956 7.677094 12.61479 
1 1 1    4    7   24 o  798.266   10.625 97403.71  2588.73 99292.46  3970.49 96007.14  3414.19  805.127   16.157  792.039   14.123 13.08795 21.45942 
1 1 1    4    7   25 o  267.311   3.4394 10906.76  280.617 10719.60  497.315 10994.19  339.898  264.957   6.1495  268.370   4.1495 -3.412323 7.418530 
1 1 1    4    7   26 o  920.524   17.106 129886.20  4806.27 128526.60  7149.86 131007.00  6491.87  913.202   25.652  922.843   23.048 -9.640747 34.48467 
1 1 1    4    7   27 o  450.266   9.2474 30981.48  1270.88 32683.37  2662.74 30479.43  1446.23  461.497   18.904  446.509   10.612 14.98743 21.67844 
1 1 1    4    7   28 o  155.313   3.1695  3681.93  150.252  4511.67  641.926  3633.84  154.545  171.285   12.362  154.295   3.2816 16.98969 12.78985 
1 1 1    4    7   29 o  412.865   5.2130 26026.06  656.916 26143.83  950.707 25918.45  908.752  413.693   7.5292  411.922   7.2279 1.771240 10.43707 
1 1 1    4    7   30 f  437.321   6.7922 29212.27  906.626 28515.96  1328.57 29819.13  1240.30  431.853   10.079  441.681   9.2003 -9.827850 13.64691 
1 1 1    4    7   31 o  449.236   5.2969 30816.96  726.288 31530.06  1086.63 30241.15  976.434  454.245   7.8375  444.909   7.1904 9.336212 10.63618 
1 1 1    4    7   32 f  242.327   3.1235  8963.82  231.023  9252.27  300.106  8544.25  361.947  246.177   3.9940  236.544   5.0132 9.632767 6.409711 
1 1 1    4    7   33 o  692.396   8.9195 73328.84  1885.00 75069.79  2546.79 71219.71  2803.19  699.949   11.921  681.383   13.479 18.56561 17.99391 
1 1 1    4    7   34 o  116.994   2.7409  2089.40   97.874  2074.49  120.915  2117.73  166.678  116.568   3.3985  117.757   4.6374 -1.189041 5.749368 
1 1 1    4    7   35 o  293.724   8.5469 13203.69  766.245 13761.71  1203.80 12823.61  993.498  299.285   13.178  289.166   11.256 10.11929 17.33118 
1 1 1    4    7   36 o  523.723   7.4927 41962.53  1197.73 42445.74  1578.79 41307.35  1838.37  526.263   9.8289  518.724   11.611 7.538879 15.21277 
1 1 1    4    7   37 o  224.365   5.3306  7692.98  365.049  8228.69  773.826  7539.63  414.012  231.535   10.950  222.070   6.1081 9.464600 12.53831 
1 1 1    4    7   38 o  250.518   5.0278  9590.33  384.448  9626.19  403.477  9236.91  1266.77  250.970   5.2672  243.598   17.147 7.372070 17.93767 
1 1 1    4    7   39 o  194.611   4.2544  5785.67  252.708  5988.92  283.121  4989.17  560.468  197.979   4.6853  180.003   10.244 17.97537 11.26424 
1 1 1    4    7   40 o  319.574   4.8504 15607.25  473.112 15691.18  580.191 15440.68  817.343  320.323   5.9342  317.424   8.4362 2.899231 10.31430 
1 1 1    4    7   41 o   48.215   2.9172  356.254   42.728  352.161   67.461  358.996   55.216   47.776   4.6865   48.333   3.7727 -0.5570030 6.016378 
1 1 1    4    7   42 o   99.859   2.7418  1522.57   83.569  1502.21  157.155  1530.60   98.678   98.989   5.2199  100.113   3.2293 -1.123978 6.138067 
1 1 1    4    7   43 o  354.201   4.0772 19168.03  440.787 18960.81  739.794 19282.08  548.846  351.913   6.8874  355.145   5.0632 -3.231323 8.548285 
1 1 1    4    7   44 f  214.701   2.5215  7038.00  165.237  6915.67  248.445  7135.03  221.270  212.765   3.8257  216.139   3.3541 -3.373840 5.087824 
1 1 1    4    7   45 o  257.746   4.7649 10155.02  374.853 10115.09  510.014 10201.92  552.813  257.058   6.5003  258.094   7.0175 -1.036133 9.565536 
1 1 1    4    7   46 f  290.608   4.5871 12908.40  406.878 12821.37  506.133 13067.39  684.092  289.502   5.7279  291.988   7.6760 -2.485657 9.577534 
1 1 1    4    7   47 o  248.926   3.3069  9464.09  251.250  9495.58  327.715  9419.18  391.330  249.270   4.3073  248.190   5.1659 1.079361 6.726012 
1 1 1    4    7   48 o   33.982   3.7768  178.596   38.511  181.914   51.275  174.303   58.330   34.122   5.0781   33.249   5.9669 0.8721581 7.835190 
1 1 1    4    7   49 o  280.531   5.6051 12039.70  479.936 11806.22  709.744 12236.41  651.459  277.378   8.3833  282.531   7.5545 -5.153412 11.28491 
1 1 1    4    7   50 o  227.712   3.8114  7922.76  264.902  8794.82  443.773  7440.01  330.181  239.698   6.0657  220.579   4.9042 19.11894 7.800252 
1 1 1    4    7   51 o  329.784   4.5444 16627.59  457.431 16798.16  537.268 16178.13  872.110  331.363   5.3121  324.494   8.8054 6.868225 10.28364 
1 1 1    4    7   52 o  156.350   3.0108  3733.81  143.680  3833.66  178.890  3552.31  241.180  158.393   3.7003  152.376   5.1857 6.016907 6.370525 
1 1 1    4    7   53 o   65.293   3.2502  651.308   64.773  740.373  139.059  626.630   73.198   69.180   6.6682   63.922   3.7684 5.258499 7.659401 
1 1 1    4    7   54 o  113.746   2.4082  1975.77   83.606  1889.90  186.389  1997.40   93.545  111.097   5.4967  114.358   2.6800 -3.261070 6.115211 
1 1 1    4    7   55 o  141.078   2.4500  3039.65  105.497  3158.81  164.439  2956.29  137.532  143.747   3.7479  139.092   3.2395 4.654297 4.953944 
1 1 1    4    7   56 o  291.575   4.0072 13002.61  356.618 12837.48  503.251 13169.17  505.425  289.397   5.6974  293.122   5.6493 -3.725555 8.023336 
1 1 1    4    7   57 o   82.548   2.5287  1040.94   63.711  1006.71   80.409  1098.68  104.431   81.154   3.2462   84.743   4.0375 -3.588936 5.180654 
1 1 1    4    7   58 o   12.944   5.1813   12.253   31.051   9.0963   36.818   20.027   57.782   13.559   5.5626   17.403   7.0320 -3.843813 8.966183 
1 1 1    4    7   59 f   61.427   3.2787  578.720   61.250  581.362  158.377  578.255   66.418   60.646   8.8141   61.374   3.5608 -0.7285080 9.506187 
1 1 1    4    7   60 o  181.523   2.5048  5035.96  138.781  5142.62  242.237  4983.85  169.324  183.171   4.3328  180.515   3.0732 2.655273 5.312014 
1 1 1    4    7   61 o  136.118   2.7622  2833.29  114.759  3012.60  175.376  2699.02  151.760  140.191   4.0986  132.742   3.7457 7.448532 5.552345 
1 1 1    4    7   62 o  143.979   2.4869  3169.37  109.289  3273.62  144.245  3028.88  167.456  146.236   3.2317  140.564   3.9031 5.671387 5.067330 
1 1 1    4    8    0 o  877.737   36.474 119849.50  9733.17 119849.50  9733.17 119849.50  9733.17  877.737   36.474  877.737   36.474 0.000000 0.000000 
1 1 1    4    8    1 o  198.684   5.3796  6028.17  326.235  5918.17  353.024  6671.54  853.756  196.851   5.8756  208.240   13.505 -11.38860 14.72799 
1 1 1    4    8    2 o  401.458   17.162 24751.74  2102.97 22487.71  2973.76 27016.67  2974.35  380.326   25.769  417.659   23.427 -37.33310 34.82617 
1 1 1    4    8    3 o  139.519   11.508  2999.05  485.683   0.0000   0.0000  2999.05  485.683  ?   ?   139.519   11.508 0.000000 11.50784 
1 1 1    4    8    4 o  177.061   12.952  4826.04  695.091   0.0000   0.0000  4826.04  695.091  ?   ?   177.061   12.952 0.000000 12.95165 
1 1 1    4    8    5 o  460.114   28.046 32920.68  3919.97   0.0000   0.0000 32920.68  3919.97  ?   ?   460.114   28.046 0.000000 28.04648 
1 1 1    4    8    6 o  644.164   17.426 63683.07  3426.14 63683.07  3426.14   0.0000   0.0000  644.164   17.426  ?   ?  0.000000 17.42573 
1 1 1    4    8    7 o  216.735   6.3551  7173.86  420.409  6919.94  461.913  8399.36  1014.78  212.846   7.1101  233.751   14.292 -20.90511 15.96292 
1 1 1    4    8    8 o  434.949   11.276 28931.77  1496.90 32559.92  3585.43 28165.88  1647.34  458.704   25.713  429.043   12.580 29.66092 28.62483 
1 1 1    4    8    9 o  366.125   22.713 20697.88  2525.70   0.0000   0.0000 20697.88  2525.70  ?   ?   366.125   22.713 0.000000 22.71347 
1 1 1    4    8   10 o  288.857   8.3859 12746.79  739.348   0.0000   0.0000 12746.79  739.348  ?   ?   288.857   8.3859 0.000000 8.385881 
1 1 1    4    8   11 o  147.872   4.8922  3338.15  220.804  3557.00  586.162  3301.97  238.362  151.963   12.756  147.064   5.3102 4.898697 13.81674 
1 1 1    4    8   12 o  663.501   14.253 67368.54  2886.42 69557.59  5673.36 66604.02  3352.78  671.660   27.674  659.396   16.659 12.26385 32.30124 
1 1 1    4    8   13 o  393.920   16.256 23762.51  1954.54 29191.73  2766.82 18354.24  2761.47  436.135   20.785  344.241   26.485 91.89432 33.66718 
1 1 1    4    8   14 o  649.149   14.849 64489.15  2942.11   0.0000   0.0000 64489.15  2942.11  ?   ?   649.149   14.849 0.000000 14.84904 
1 1 1    4    8   15 o  262.197   5.2041 10495.15  416.477 10298.44  458.172 11430.76  999.221  259.718   5.7798  273.437   11.973 -13.71884 13.29467 
1 1 1    4    8   16 o  520.419   8.8807 41372.84  1410.65 39972.63  1600.56 46245.29  2985.71  511.454   10.253  549.406   17.805 -37.95160 20.54593 
1 1 1    4    8   17 o  261.007   7.4698 10403.75  595.081 11232.26  949.714  9868.21  763.562  271.073   11.479  254.135   9.8438 16.93735 15.12148 
1 1 1    4    8   18 o  720.508   8.5225 79297.80  1874.22 82553.02  3382.67 77855.81  2251.39  734.434   15.090  713.774   10.334 20.65967 18.28942 
1 1 1    4    8   19 o  615.656   10.464 57926.20  1966.37 67924.19  3061.11 50902.27  2565.74  666.172   15.055  576.743   14.575 89.42902 20.95431 
1 1 1    4    8   20 o  789.016   13.761 95245.20  3314.07 108567.90  4928.76 84251.35  4477.31  841.403   19.192  741.097   19.794 100.3062 27.57018 
1 1 1    4    8   21 o  889.277   15.719 121091.20  4266.55 135271.70  6345.54 109391.00  5763.93  938.362   22.155  843.778   22.381 94.58386 31.49222 
1 1 1    4    8   22 f  376.633   5.4207 21657.13  623.149 21336.95  996.947 21862.44  798.317  373.716   8.7400  378.365   6.9127 -4.649261 11.14332 
1 1 1    4    8   23 o  414.386   6.1577 26219.99  778.824 26549.46  997.934 25706.66  1245.65  416.911   7.8423  410.130   9.9508 6.780701 12.66961 
1 1 1    4    8   24 o  574.255   8.8404 50384.48  1549.50 46717.69  2524.85 52599.90  1962.54  552.371   14.976  586.563   10.962 -34.19232 18.55899 
1 1 1    4    8   25 o  622.886   11.418 59328.31  2170.77 52177.64  3230.11 65217.77  2931.44  583.266   18.144  652.645   14.716 -69.37891 23.36154 
1 1 1    4    8   26 o  347.216   4.7025 18404.99  498.363 18959.22  931.406 18182.67  589.911  352.259   8.6628  345.087   5.6007 7.171570 10.31564 
1 1 1    4    8   27 o  338.813   5.8058 17528.61  600.396 18216.54  718.125 15931.06  1094.34  345.362   6.8125  322.768   11.108 22.59393 13.03089 
1 1 1    4    8   28 o  440.363   6.3196 29615.01  849.413 27396.13  2427.65 29924.55  906.726  422.389   18.830  442.639   6.7113 -20.24985 19.99054 
1 1 1    4    8   29 o  270.480   5.7574 11171.97  475.316 10253.24  1007.71 11434.85  539.047  258.804   12.757  273.622   6.4544 -14.81824 14.29689 
1 1 1    4    8   30 o  139.919   2.4036  2988.06  102.650  3169.86  161.490  2864.81  132.969  144.100   3.6717  136.996   3.1800 7.104294 4.857301 
1 1 1    4    8   31 o  278.292   3.6308 11822.92  308.408 11684.64  400.029 12025.55  484.248  276.629   4.7378  280.603   5.6540 -3.974579 7.376636 
1 1 1    4    8   32 o  483.255   6.6025 35683.65  973.878 35959.31  1226.83 35213.98  1601.36  484.948   8.2884  479.554   10.940 5.393677 13.72556 
1 1 1    4    8   33 o  180.016   2.9419  4946.90  161.641  5212.83  222.846  4651.63  234.815  184.770   3.9514  174.530   4.4080 10.23988 5.919798 
1 1 1    4    8   34 o  282.620   4.8275 12200.46  416.426 12801.28  588.311 11597.16  589.522  289.379   6.6607  275.408   7.0130 13.97113 9.672029 
1 1 1    4    8   35 o  221.039   3.6643  7460.66  247.214  7822.94  397.596  7232.34  315.648  226.246   5.7576  217.587   4.7528 8.658279 7.465906 
1 1 1    4    8   36 o  193.852   4.0159  5739.37  237.616  6242.13  609.452  5649.24  258.036  201.771   9.8961  192.310   4.3960 9.461487 10.82856 
1 1 1    4    8   37 o  104.220   3.0282  1658.41   96.329  1493.78  268.116  1682.81  103.221   98.320   9.0355  104.981   3.2214 -6.661026 9.592598 
1 1 1    4    8   38 o  492.664   7.1328 37144.22  1072.57 37890.12  1664.34 36614.42  1402.68  496.646   10.979  488.639   9.4049 8.007324 14.45681 
1 1 1    4    8   39 o  387.657   5.3530 22972.15  633.377 23052.94  875.433 22883.40  917.506  388.048   7.3913  386.553   7.7765 1.494568 10.72869 
1 1 1    4    8   40 o  381.860   5.2250 22290.46  608.992 22564.65  841.936 21989.59  881.944  383.917   7.1850  378.918   7.6257 4.998871 10.47735 
1 1 1    4    8   41 o  605.247   6.6938 56066.34  1236.58 56678.26  2142.48 55760.67  1514.27  606.812   11.568  603.153   8.2254 3.658569 14.19395 
1 1 1    4    8   42 o  660.159   8.3704 66823.94  1686.60 68277.67  3044.48 66180.23  2025.88  663.840   15.026  656.262   10.114 7.577881 18.11244 
1 1 1    4    8   43 o  335.592   4.4301 17211.12  453.779 17174.18  821.868 17227.31  544.258  334.704   8.0450  335.649   5.3125 -0.9453430 9.640775 
1 1 1    4    8   44 o  230.848   3.5016  8140.00  246.725  8128.06  291.931  8169.82  461.573  230.638   4.1470  231.017   6.5461 -0.3786926 7.749088 
1 1 1    4    8   45 o  110.162   2.9845  1853.25  100.352  1827.73  121.749  1907.32  177.230  109.383   3.6467  111.683   5.1991 -2.300049 6.350532 
1 1 1    4    8   46 o  257.467   3.9767 10128.34  312.508 10908.20  495.717  9613.99  402.583  266.987   6.0831  250.735   5.2605 16.25192 8.042197 
1 1 1    4    8   47 o   76.879   2.6614  902.479   62.449  841.585   94.943  948.915   82.909   74.091   4.2158   78.818   3.4463 -4.727242 5.445201 
1 1 1    4    8   48 o   98.585   2.7894  1484.14   83.935  1432.58  138.579  1514.01  105.485   96.805   4.6901   99.556   3.4714 -2.751289 5.835052 
1 1 1    4    8   49 o  139.083   3.0980  2954.43  131.513  3597.41  525.461  2911.46  135.836  152.325   11.384  138.064   3.2234 14.26151 11.83175 
1 1 1    4    8   50 o  150.661   3.4083  3467.54  156.732  3506.85  171.287  3265.31  388.535  151.499   3.7042  145.535   8.7879 5.964157 9.536726 
1 1 1    4    8   51 o  192.914   3.1188  5684.58  183.643  5771.60  216.822  5463.71  345.432  194.353   3.6551  188.904   5.9911 5.448715 7.018017 
1 1 1    4    8   52 o  243.598   5.0290  9078.47  373.915  9051.58  391.199  9362.79  1271.97  243.208   5.2699  243.617   17.217 -0.4089508 18.00554 
1 1 1    4    8   53 o  169.870   2.9722  4407.88  154.102  4478.63  184.285  4243.38  281.005  171.195   3.5268  166.477   5.5302 4.717743 6.559089 
1 1 1    4    8   54 o  256.969   3.1516 10089.12  247.189 10311.05  349.241  9866.33  349.915  259.637   4.4070  253.962   4.5142 5.675079 6.308676 
1 1 1    4    8   55 o  208.939   3.2189  6671.24  205.277  6963.37  288.943  6373.53  291.689  213.336   4.4374  204.071   4.6830 9.264801 6.451433 
1 1 1    4    8   56 o   54.878   3.0506  461.649   50.897  482.436   60.261  409.920   95.065   56.063   3.5398   51.319   6.1944 4.743889 7.134484 
1 1 1    4    8   57 o  136.926   4.6360  2871.38  193.752  2893.51  347.919  2861.42  233.271  136.662   8.3814  136.579   5.5957 0.8262634E-01 10.07769 
1 1 1    4    8   58 o  239.173   3.4829  8749.91  254.258  9570.14  456.378  8380.74  306.177  249.576   5.9911  233.936   4.2880 15.63988 7.367518 
1 1 1    4    8   59 o  178.544   3.8558  4880.63  210.126  5027.74  564.814  4857.00  226.374  179.146   10.374  178.063   4.1652 1.082809 11.17890 
1 1 1    4    8   60 o  191.019   3.5247  5585.69  205.503  5991.50  630.851  5537.52  217.359  195.157   10.631  190.156   3.7450 5.001221 11.27116 
1 1 1    4    8   61 o   48.972   4.3347  370.760   64.123  509.482  112.658  304.280   77.989   57.069   6.5887   44.047   5.9534 13.02160 8.879989 
1 1 1    4    8   62 o   71.310   5.5218  787.934  119.248  787.934  119.248   0.0000   0.0000   71.310   5.5218  ?   ?  0.000000 5.521843 
1 1 1    4    9    0 o  116.042   7.6914  2082.97  269.674  2082.97  269.674  2082.97  269.674  116.042   7.6914  116.042   7.6914 0.000000 0.000000 
1 1 1    4    9    1 o  313.734   9.7278 15044.82  931.522 15682.10  1318.07 14408.90  1316.67  320.080   13.492  306.772   14.062 13.30786 19.48747 
1 1 1    4    9    2 o  855.914   20.847 112590.40  5446.25 112661.00  5996.48 112257.80 13015.35  855.543   22.963  838.712   51.086 16.83087 56.00974 
1 1 1    4    9    3 o  402.258   24.691 25025.65  3016.89   0.0000   0.0000 25025.65  3016.89  ?   ?   402.258   24.691 0.000000 24.69125 
1 1 1    4    9    4 o  369.675   22.874 21103.57  2568.25   0.0000   0.0000 21103.57  2568.25  ?   ?   369.675   22.874 0.000000 22.87388 
1 1 1    4    9    5 o  472.621   28.673 34631.36  4116.72   0.0000   0.0000 34631.36  4116.72  ?   ?   472.621   28.673 0.000000 28.67340 
1 1 1    4    9    6 o  695.168   28.892 74655.91  6130.42   0.0000   0.0000 74655.91  6130.42  ?   ?   695.168   28.892 0.000000 28.89239 
1 1 1    4    9    7 o  482.304   12.594 35580.26  1854.00 41332.62  4437.98 34364.11  2040.59  516.745   28.245  473.853   14.109 42.89148 31.57271 
1 1 1    4    9    8 o  890.455   53.979 126288.00 14601.47   0.0000   0.0000 126288.00 14601.47  ?   ?   890.455   53.979 0.000000 53.97882 
1 1 1    4    9    9 o  483.688   29.305 36246.36  4305.94   0.0000   0.0000 36246.36  4305.94  ?   ?   483.688   29.305 0.000000 29.30481 
1 1 1    4    9   10 o  792.971   16.946 96324.46  4101.60 98884.48  4895.06 90291.34  7514.63  802.853   19.976  763.992   32.226 38.86072 37.91472 
1 1 1    4    9   11 f  434.586   7.5946 28844.33  1007.39 30568.96  1498.28 27421.40  1360.93  447.209   10.977  423.586   10.526 23.62250 15.20813 
1 1 1    4    9   12 o  339.382   6.5079 17587.17  674.129 17421.74  1002.39 17723.77  910.889  337.670   9.7259  340.623   8.7614 -2.952698 13.09026 
1 1 1    4    9   13 o  878.512   18.209 118269.70  4882.55 131718.80  9593.16 113567.80  5672.18  922.381   34.075  860.151   21.605 62.23071 40.34702 
1 1 1    4    9   14 o  192.890   5.4661  5680.23  321.814  6890.68  610.413  5214.28  378.722  212.373   9.4169  184.792   6.7146 27.58105 11.56564 
1 1 1    4    9   15 o  337.671   7.6337 17413.68  786.766 18796.65  1555.40 16938.16  912.052  350.489   14.539  332.983   8.9739 17.50665 17.08589 
1 1 1    4    9   16 o  296.474   5.5961 13419.36  506.391 12761.45  748.459 13974.75  687.684  289.041   8.4838  302.501   7.4481 -13.45993 11.28935 
1 1 1    4    9   17 o  1037.93   20.816 165328.00  6594.40 163107.80 13763.76 165989.50  7512.82  1021.06   44.164  1039.16   23.687 -18.10034 50.11517 
1 1 1    4    9   18 o  541.463   11.895 44826.48  1965.77 47879.33  3866.81 43762.53  2282.76  558.226   22.695  534.808   13.984 23.41766 26.65741 
1 1 1    4    9   19 o  563.387   18.716 48668.88  3218.38 55767.47  5579.28 45128.90  3939.97  599.974   30.568  541.719   23.829 58.25543 38.75857 
1 1 1    4    9   20 o  523.416   9.4104 41861.33  1503.39 47257.93  2236.71 37414.09  2030.46  555.804   13.185  494.516   13.452 61.28775 18.83617 
1 1 1    4    9   21 o  130.946   2.6747  2617.08  106.901  2738.09  150.618  2494.24  151.751  133.933   3.6844  127.829   3.8894 6.104492 5.357476 
1 1 1    4    9   22 o  186.804   4.4893  5327.05  255.966  5174.94  378.628  5455.08  347.369  184.084   6.7388  189.013   6.0212 -4.929550 9.036901 
1 1 1    4    9   23 o  480.604   11.901 35325.14  1745.71 32772.08  4203.02 35857.39  1919.07  459.336   30.146  484.114   12.988 -24.77789 32.82471 
1 1 1    4    9   24 o  569.290   10.075 49537.39  1750.59 48599.56  2477.14 50473.06  2474.28  563.416   14.405  574.209   14.118 -10.79321 20.16938 
1 1 1    4    9   25 o  462.477   7.4135 32669.81  1046.48 35170.41  1480.78 30174.87  1479.10  479.669   10.114  444.240   10.908 35.42865 14.87587 
1 1 1    4    9   26 o  457.850   6.8153 32016.28  952.417 33165.58  1600.81 31386.54  1184.96  465.683   11.262  453.223   8.5659 12.45996 14.14983 
1 1 1    4    9   27 o  341.828   6.2456 17844.48  651.632 17272.71  886.380 18516.94  961.261  336.201   8.6378  348.077   9.0479 -11.87607 12.50907 
1 1 1    4    9   28 o  332.662   5.5341 16898.58  561.908 15216.86  945.563 17816.68  698.651  315.475   9.8199  341.532   6.7021 -26.05688 11.88903 
1 1 1    4    9   29 o  577.822   7.6638 51017.39  1351.63 48708.71  1961.18 53106.09  1865.40  564.171   11.389  589.225   10.372 -25.05475 15.40440 
1 1 1    4    9   30 o  358.307   6.1276 19610.81  670.136 19778.68  981.461 19464.20  917.227  359.652   8.9407  356.821   8.4219 2.831635 12.28271 
1 1 1    4    9   31 o  368.221   4.3691 20703.27  491.035 21851.70  637.825 19032.21  769.388  378.234   5.5249  352.888   7.1432 25.34637 9.030466 
1 1 1    4    9   32 o  410.230   5.2727 25706.39  660.208 26120.63  792.818 24769.35  1192.42  413.442   6.2826  402.241   9.7124 11.20078 11.56730 
1 1 1    4    9   33 o  347.471   4.3512 18439.02  461.474 19119.31  607.452 17510.59  709.644  353.737   5.6262  338.428   6.8700 15.30902 8.879813 
1 1 1    4    9   34 o  116.978   2.4101  2088.83   86.050  2081.90  158.723  2091.72  102.405  116.748   4.4542  117.053   2.8663 -0.3045807 5.296780 
1 1 1    4    9   35 o   45.612   2.8698  318.881   39.748  207.601  150.217  327.259   41.218   37.116   11.794   46.205   2.9379 -9.088318 12.15459 
1 1 1    4    9   36 o  281.359   4.3978 12093.18  377.673 11902.41  606.742 12213.86  482.557  278.906   7.1274  282.673   5.5930 -3.766754 9.059862 
1 1 1    4    9   37 o   77.216   2.6623  910.279   62.747  944.880   89.506  876.842   87.988   78.656   3.7282   75.673   3.8219 2.982658 5.339140 
1 1 1    4    9   38 o  462.230   6.8636 32695.02  968.339 33282.93  1205.47 31625.56  1625.85  466.036   8.4746  453.424   11.748 12.61270 14.48555 
1 1 1    4    9   39 o  363.715   5.0462 20220.04  560.203 20176.74  774.671 20267.49  811.075  363.067   6.9906  363.833   7.3037 -0.7662048 10.10999 
1 1 1    4    9   40 o  280.622   4.0254 12030.43  344.784 12073.18  467.694 11979.54  510.280  280.998   5.4531  279.853   5.9739 1.145081 8.088503 
1 1 1    4    9   41 o  234.001   3.0638  8361.77  218.822  8420.90  333.989  8317.30  289.647  234.730   4.6617  233.322   4.0672 1.407761 6.186584 
1 1 1    4    9   42 o  259.062   4.6734 10257.89  369.531 10607.33  522.732  9908.81  522.461  263.249   6.5057  254.408   6.7283 8.841553 9.359195 
1 1 1    4    9   43 o  199.913   4.3195  6107.32  263.569  6005.34  368.823  6213.76  376.790  198.104   6.0997  201.510   6.1261 -3.406036 8.644957 
1 1 1    4    9   44 o  206.703   2.7447  6524.13  173.165  6470.03  245.316  6577.86  244.470  205.786   3.9056  207.497   3.8601 -1.710556 5.491299 
1 1 1    4    9   45 o  273.485   5.8897 11443.89  491.639 11280.66  547.948 12117.85  1113.44  271.436   6.6138  280.024   13.027 -8.587311 14.61002 
1 1 1    4    9   46 o  364.690   6.2955 20357.70  700.763 20813.07  956.018 19828.93  1030.19  368.295   8.5046  359.268   9.3947 9.026886 12.67234 
1 1 1    4    9   47 o  191.331   3.5464  5592.12  207.106  4998.53  355.158  5897.97  254.939  180.690   6.4398  196.452   4.2517 -15.76126 7.716702 
1 1 1    4    9   48 o  119.048   2.9198  2164.35  106.094  1853.58  386.466  2189.68  110.333  108.984   11.807  119.740   3.0189 -10.75532 12.18659 
1 1 1    4    9   49 o  160.136   2.7844  3916.04  136.093  3910.24  237.471  3918.87  166.071  159.910   4.8654  160.168   3.3970 -0.2580414 5.933961 
1 1 1    4    9   50 o   78.879   2.8752  950.246   69.223  1066.05   93.158  807.465  103.439   83.529   3.6540   72.516   4.6987 11.01254 5.952229 
1 1 1    4    9   51 o  241.597   3.2481  8916.80  239.521  9550.22  312.268  8011.50  373.316  249.956   4.0931  228.806   5.3455 21.14986 6.732591 
1 1 1    4    9   52 o  220.622   3.3316  7436.76  224.345  7656.90  273.413  6983.11  392.491  223.806   4.0025  213.508   6.0228 10.29817 7.231467 
1 1 1    4    9   53 o  243.372   2.9359  9048.02  218.084  8854.42  271.568  9399.64  365.973  240.686   3.6967  247.849   4.8378 -7.162994 6.088469 
1 1 1    4    9   54 f  130.676   3.2586  2609.48  129.971  2761.67  209.531  2514.30  165.703  134.303   5.1115  128.212   4.2343 6.090469 6.637504 
1 1 1    4    9   55 o  171.934   5.1399  4527.92  269.730  4556.50  289.495  4339.74  742.732  172.430   5.5006  165.509   14.861 6.920853 15.84630 
1 1 1    4    9   56 o  137.056   2.6891  2869.95  112.493  3197.88  203.487  2725.61  134.998  144.516   4.6132  133.526   3.3124 10.98975 5.679250 
1 1 1    4    9   57 o   71.698   3.6785  788.468   80.229  869.721   96.136  602.040  145.620   75.256   4.2021   61.987   7.8743 13.26940 8.925386 
1 1 1    4    9   58 o   27.763   7.7145  122.581   67.719  135.902  220.989  121.200   71.141   35.978   13.999   27.693   7.9802 8.284836 16.11421 
1 1 1    4    9   59 o   87.344   2.9661  1166.69   79.074  1060.15  114.608  1263.48  109.239   83.023   4.5399   90.823   3.9406 -7.799973 6.011589 
1 1 1    4    9   60 o  102.842   2.8600  1617.63   89.775  1591.79  136.467  1637.34  119.201  101.867   4.3891  103.383   3.7776 -1.516068 5.790863 
1 1 1    4    9   61 o   84.824   3.1470  1101.31   81.477  1091.81   90.778  1140.67  184.790   84.426   3.5228   85.522   7.1446 -1.095268 7.965926 
1 1 1    4   10    0 o  191.925   14.029  5718.32  811.704  5718.32  811.704  5718.32  811.704  191.925   14.029  191.925   14.029 0.000000 0.000000 
1 1 1    4   10    1 o  405.712   10.524 25158.37  1303.20 24663.08  1434.11 27505.60  3122.02  401.627   11.699  422.141   24.334 -20.51395 26.99975 
1 1 1    4   10    2 o  1012.82   41.393 160213.91 12796.08 174642.80 18098.05 145790.20 18094.74  1045.50   56.928  950.441   62.728 95.06158 84.70891 
1 1 1    4   10    3 o  422.404   14.662 27309.26  1890.38 27799.33  3275.65 27064.54  2314.74  424.200   25.417  420.192   18.048 4.008087 31.17276 
1 1 1    4   10    4 o  1303.08   31.469 262576.59 12516.04 263738.81 13781.32 257105.30 29902.54  1304.16   34.621  1244.89   79.108 59.27429 86.35236 
1 1 1    4   10    6 o  702.765   42.186 77386.92  9007.00   0.0000   0.0000 77386.92  9007.00  ?   ?   702.765   42.186 0.000000 42.18596 
1 1 1    4   10    8 o  329.995   9.3869 16637.59  945.468   0.0000   0.0000 16637.59  945.468  ?   ?   329.995   9.3869 0.000000 9.386897 
1 1 1    4   10    9 o  1004.29   41.684 157304.20 12777.50 167689.20 18070.78 146920.59 18069.46  1025.24   57.985  956.304   62.245 68.93616 85.06904 
1 1 1    4   10   10 o  819.296   15.512 102748.70  3878.94 103098.10  5485.73 102399.30  5485.58  819.459   21.933  816.660   22.007 2.798645 31.07016 
1 1 1    4   10   11 o  409.298   10.295 25600.08  1286.12 25652.90  1414.94 25349.00  3085.01  409.664   11.316  405.211   25.067 4.452942 27.50253 
1 1 1    4   10   12 o  627.016   21.221 60338.09  4061.32 57354.97  7034.47 61829.62  4974.07  606.382   38.203  633.887   25.709 -27.50415 46.04770 
1 1 1    4   10   13 o  428.798   14.907 28139.13  1951.07 25657.20  3379.51 29379.93  2389.51  407.213   27.349  437.881   17.879 -30.66833 32.67447 
1 1 1    4   10   14 o  338.612   8.1244 17512.95  839.675 17372.69  1000.49 17847.10  1544.30  337.192   9.7212  341.492   14.816 -4.299957 17.72058 
1 1 1    4   10   15 o  171.259   9.4507  4494.87  492.096   0.0000   0.0000  4494.87  492.096  ?   ?   171.259   9.4507 0.000000 9.450714 
1 1 1    4   10   16 o  217.299   4.5378  7208.14  300.968  8530.12  427.014  5903.13  424.264  236.365   5.9189  196.609   7.0700 39.75586 9.220515 
1 1 1    4   10   17 o  522.440   12.039 41736.48  1919.79 41566.72  2290.23 42137.64  3520.69  521.155   14.398  523.735   22.024 -2.579956 26.31270 
1 1 1    4   10   18 o  473.906   10.924 34331.53  1580.15 34187.29  1884.59 34672.97  2899.53  472.741   13.061  475.332   19.985 -2.591125 23.87481 
1 1 1    4   10   19 o  406.534   7.4545 25242.08  924.977 25596.50  1309.45 24889.10  1306.78  409.220   10.484  403.518   10.610 5.702026 14.91592 
1 1 1    4   10   20 o  335.856   5.5867 17222.33  572.701 16707.74  726.234 18068.65  931.345  330.751   7.1938  343.890   8.8731 -13.13916 11.42288 
1 1 1    4   10   21 o  536.041   9.9803 43916.75  1632.89 38970.84  2429.75 47990.29  2205.08  504.392   15.783  560.071   12.899 -55.67880 20.38330 
1 1 1    4   10   22 f  645.480   17.369 63879.21  3421.92 61181.40  3767.15 76607.61  8182.64  631.314   19.550  699.613   38.467 -68.29895 43.15007 
1 1 1    4   10   23 o  791.882   14.472 96015.54  3497.81 85540.38  5203.37 104651.40  4724.52  745.603   22.864  825.806   18.744 -80.20343 29.56553 
1 1 1    4   10   24 o  443.807   8.2181 30092.33  1113.22 34212.95  1655.84 26693.73  1503.79  472.971   11.470  417.750   11.794 55.22028 16.45165 
1 1 1    4   10   25 o  784.405   11.048 94097.98  2645.02 91893.54  3290.67 98122.30  4446.11  774.685   13.917  799.561   18.218 -24.87567 22.92580 
1 1 1    4   10   26 o  330.552   7.2493 16691.19  731.395 16572.62  830.196 17102.30  1545.85  329.328   8.2591  334.053   15.161 -4.724457 17.26491 
1 1 1    4   10   27 o  483.316   5.9855 35674.67  882.975 37552.50  1278.60 33962.70  1220.83  495.697   8.4509  471.406   8.4848 24.29059 11.97538 
1 1 1    4   10   28 o  268.204   3.3936 10980.67  277.810 12697.30  547.294 10384.82  322.440  288.320   6.2191  260.811   4.0505 27.50891 7.421833 
1 1 1    4   10   29 o   41.604   8.7639  274.679  107.775  306.130  168.954  253.100  139.946   44.045   12.165   40.065   11.074 3.980568 16.45120 
1 1 1    4   10   30 o  274.298   4.4111 11488.95  369.306 11539.76  472.194 11408.92  592.651  274.854   5.6286  273.216   7.1068 1.638275 9.065773 
1 1 1    4   10   31 o  452.317   5.8415 31259.30  806.456 33513.47  1422.33 30191.27  979.039  467.822   9.9610  444.386   7.2181 23.43576 12.30134 
1 1 1    4   10   32 o  484.541   10.646 35989.11  1574.42 38729.93  3103.43 35039.24  1826.98  499.734   20.346  477.698   12.530 22.03638 23.89526 
1 1 1    4   10   33 o  414.438   7.1674 26271.66  906.652 26442.29  1337.85 26126.74  1232.96  415.234   10.556  412.891   9.7836 2.342926 14.39257 
1 1 1    4   10   34 o   36.674   4.1419  208.049   45.551  132.977  162.599  214.443   47.451   33.136   12.207   37.227   4.2524 -4.091236 12.92616 
1 1 1    4   10   35 o  161.839   2.8090  3998.83  138.757  3809.31  198.632  4179.47  193.918  157.921   4.1209  165.425   3.8406 -7.504379 5.633131 
1 1 1    4   10   36 o   91.842   2.6594  1287.76   74.549  1279.05  101.046  1298.17  110.434   91.516   3.6175   92.191   3.9246 -0.6754684 5.337483 
1 1 1    4   10   37 o  217.121   4.3265  7202.12  286.716  6642.71  394.035  7831.58  417.978  208.399   6.1947  226.293   6.0515 -17.89328 8.660007 
1 1 1    4   10   38 o  128.930   2.8045  2538.05  110.364  2708.21  133.917  2177.82  194.847  133.169   3.2947  119.354   5.3486 13.81483 6.281898 
1 1 1    4   10   39 o  238.970   3.7972  8723.23  276.962  8653.11  294.224  9268.68  820.641  237.993   4.0504  245.497   10.952 -7.504456 11.67691 
1 1 1    4   10   40 o   56.862   3.8685  496.227   66.741  492.824   71.866  517.563  179.956   56.639   4.1868   57.103   10.719 -0.4645882 11.50727 
1 1 1    4   10   41 o  432.672   6.9566 28666.70  918.697 28299.26  1040.31 29968.37  1958.03  429.672   7.9325  439.865   14.584 -10.19336 16.60195 
1 1 1    4   10   42 o  113.167   3.4499  1956.14  119.164  1929.68  155.486  1993.79  185.507  112.364   4.5336  114.183   5.3228 -1.819298 6.991871 
1 1 1    4   10   43 o  150.950   2.6106  3479.14  120.281  3455.53  144.435  3532.54  217.262  150.420   3.1459  152.019   4.6824 -1.599380 5.641077 
1 1 1    4   10   44 o  183.382   3.2884  5136.31  184.059  5163.23  225.601  5082.72  318.305  183.825   4.0209  182.273   5.7214 1.551529 6.992979 
1 1 1    4   10   45 o   94.248   2.5474  1356.25   73.281  1318.64  109.514  1386.74   98.610   92.902   3.8621   95.283   3.3907 -2.381241 5.139365 
1 1 1    4   10   46 o  223.079   3.5160  7601.86  239.399  7740.86  470.400  7553.27  278.109  224.810   6.8554  222.327   4.0983 2.482635 7.987056 
1 1 1    4   10   47 o  201.867   3.9959  6226.88  246.207  6203.10  660.979  6230.71  265.298  200.385   10.847  201.908   4.3049 -1.523788 11.67042 
1 1 1    4   10   48 o  274.824   3.7565 11540.09  315.106 11795.38  455.845 11306.47  436.066  277.675   5.3785  271.874   5.2549 5.800720 7.519501 
1 1 1    4   10   49 f  169.446   2.7220  4384.64  140.778  4479.42  218.055  4316.90  184.344  171.191   4.1732  168.091   3.5931 3.100571 5.506865 
1 1 1    4   10   50 o  107.756   2.9837  1773.50   98.133  1897.19  177.690  1719.22  117.713  111.352   5.2281  106.072   3.6358 5.280327 6.368093 
1 1 1    4   10   51 o   34.943   4.0908  189.201   42.804  190.493   50.622  185.959   80.175   34.952   4.8780   34.125   7.8596 0.8274536 9.250345 
1 1 1    4   10   52 o   92.312   2.7109  1301.54   76.383  1321.21   96.214  1268.02  125.616   92.985   3.3900   91.049   4.5201 1.936241 5.650126 
1 1 1    4   10   53 o  133.420   2.9233  2719.45  119.046  2987.63  198.115  2567.90  148.931  139.733   4.6452  129.605   3.7649 10.12862 5.979277 
1 1 1    4   10   54 o   72.614   4.7164  810.488  103.967  804.876  109.548  861.389  329.915   72.330   4.9927   72.701   15.349 -0.3703842 16.14108 
1 1 1    4   10   55 o  109.444   2.8571  1830.22   95.440  1966.22  124.571  1636.93  148.509  113.396   3.5992  103.394   4.7059 10.00193 5.924451 
1 1 1    4   10   56 o  135.441   2.4527  2802.43  101.394  2934.15  157.411  2709.03  132.555  138.494   3.7238  133.112   3.2626 5.382202 4.950876 
1 1 1    4   10   57 o   39.870   4.0779  245.908   48.927  258.231   66.007  230.882   72.891   40.659   5.4565   38.222   6.4795 2.436764 8.470944 
1 1 1    4   10   58 o   14.164   6.2196 -13.2723   51.749   56.670  134.051 -25.5206   56.097   26.807   10.753   14.081   6.3116 12.72671 12.46871 
1 1 1    4   10   59 f   98.239   3.4330  1477.29  102.936  1862.75  205.014  1347.36  119.027  109.782   6.1430   93.753   4.1595 16.02934 7.418739 
1 1 1    4   10   60 f  109.262   2.5052  1825.21   83.546  2159.40  138.980  1636.11  104.545  118.701   3.8360  103.378   3.3133 15.32332 5.068803 
1 1 1    4   11    0 o  314.579   20.125 15324.14  1914.17 15324.14  1914.17 15324.14  1914.17  314.579   20.125  314.579   20.125 0.000000 0.000000 
1 1 1    4   11    1 o  646.584   21.863 64190.72  4314.64 60791.59  7471.41 65891.49  5284.97  623.823   39.443  654.173   26.469 -30.34967 47.50061 
1 1 1    4   11    2 o  1655.05   39.124 426167.19 19763.71 404631.00 23591.30 476859.31 36194.11  1604.82   48.163  1716.36   69.089 -111.5465 84.21986 
1 1 1    4   11    3 o  538.902   20.373 44553.79  3351.06   0.0000   0.0000 44553.79  3351.06  ?   ?   538.902   20.373 0.000000 20.37305 
1 1 1    4   11    4 o  896.386   36.524 124692.30  9992.86   0.0000   0.0000 124692.30  9992.86  ?   ?   896.386   36.524 0.000000 36.52393 
1 1 1    4   11    5 o  1111.10   68.268 200085.80 23039.77   0.0000   0.0000 200085.80 23039.77  ?   ?   1111.10   68.268 0.000000 68.26772 
1 1 1    4   11    9 o  635.387   17.169 61842.44  3329.72   0.0000   0.0000 61842.44  3329.72  ?   ?   635.387   17.169 0.000000 17.16929 
1 1 1    4   11   10 o  945.912   22.156 137407.41  6396.85 140438.30  7042.85 123122.50 15289.87  955.728   24.143  878.258   57.353 77.46960 62.22746 
1 1 1    4   11   11 o  253.458   16.861  9883.07  1296.91  9883.07  1296.91   0.0000   0.0000  253.458   16.861  ?   ?  0.000000 16.86052 
1 1 1    4   11   12 o  952.632   22.689 139434.80  6597.19 140948.59  7263.63 132302.70 15766.67  957.142   24.863  910.237   57.038 46.90546 62.22193 
1 1 1    4   11   13 o  660.083   14.878 66691.34  2997.46 66494.85  3576.31 67155.29  5495.34  658.693   17.788  660.078   27.276 -1.384949 32.56398 
1 1 1    4   11   14 o   71.003   4.3481  772.473   93.778  621.463  106.056  1313.75  200.790   63.561   5.5216   92.472   7.1701 -28.91087 9.049771 
1 1 1    4   11   15 o  474.881   20.162 34609.76  2922.42 33005.90  4133.71 36212.40  4132.13  461.366   29.509  483.684   28.111 -22.31778 40.75550 
1 1 1    4   11   16 o  509.868   13.047 39769.32  2030.45 37819.06  2200.85 50920.37  5262.62  497.068   14.506  573.184   30.187 -76.11517 33.49194 
1 1 1    4   11   17 o   91.394   3.2924  1274.95   91.842  1298.51  138.260  1256.35  122.867   92.094   4.9367   90.719   4.4373 1.374542 6.637805 
1 1 1    4   11   18 o  393.509   8.7512 23658.54  1051.09 23804.15  2080.17 23608.62  1218.03  394.073   17.294  393.017   10.154 1.055420 20.05480 
1 1 1    4   11   19 o  379.837   8.9846 22045.02  1041.63 21114.30  1210.02 24708.30  2046.88  371.640   10.667  401.528   16.702 -29.88797 19.81759 
1 1 1    4   11   20 f  637.404   12.826 62161.18  2495.21 58351.63  5216.29 63291.51  2841.38  614.689   27.803  642.950   14.479 -28.26105 31.34702 
1 1 1    4   11   21 o  238.002   4.5776  8647.51  332.533  8206.08  472.478  9080.79  468.099  231.804   6.6780  243.855   6.2891 -12.05122 9.173210 
1 1 1    4   11   22 o  307.021   6.0454 14394.03  566.511 15091.11  800.998 13696.35  801.337  314.282   8.3502  299.389   8.7692 14.89291 12.10887 
1 1 1    4   11   23 o  620.694   11.819 58935.62  2239.20 60637.64  3167.22 57234.71  3166.18  628.882   16.500  610.898   16.980 17.98450 23.67693 
1 1 1    4   11   24 o  291.473   5.8873 12973.43  523.761 12876.26  550.255 13910.19  1708.49  290.369   6.2087  300.384   18.728 -10.01495 19.73018 
1 1 1    4   11   25 o  429.819   7.6994 28226.62  1010.09 28775.93  2435.46 28112.50  1110.06  432.806   18.436  428.897   8.4796 3.908295 20.29282 
1 1 1    4   11   26 o  325.306   6.2713 16163.46  622.686 16023.14  848.933 16326.87  916.123  323.773   8.5904  326.791   9.1847 -3.017731 12.57596 
1 1 1    4   11   27 o  124.854   2.4217  2379.34   92.287  2395.63  146.419  2368.60  118.872  125.268   3.8295  124.567   3.1265 0.7016678 4.943679 
1 1 1    4   11   28 o  451.857   5.7621 31187.53  794.690 33130.29  1150.34 29413.88  1099.13  465.513   8.0961  438.616   8.2101 26.89706 11.53051 
1 1 1    4   11   29 o  609.702   14.177 57089.43  2638.35 58227.78  3731.30 55951.22  3731.08  613.880   19.914  601.608   20.319 12.27222 28.45056 
1 1 1    4   11   30 o   96.821   2.6778  1430.99   79.134  1520.31  100.432  1284.75  128.516   99.790   3.2974   91.601   4.6114 8.188675 5.668983 
1 1 1    4   11   31 o  171.766   3.1671  4504.40  166.041  5176.66  280.875  4143.27  205.864  184.081   4.9990  164.714   4.0948 19.36769 6.462034 
1 1 1    4   11   32 o  392.337   7.7682 23555.84  930.247 22859.98  1949.31 23761.05  1058.56  384.621   16.605  393.888   8.8049 -9.267853 18.79475 
1 1 1    4   11   33 o  203.186   4.3143  6306.29  267.560   0.0000   0.0000  6306.29  267.560  ?   ?   203.186   4.3143 0.000000 4.314300 
1 1 1    4   11   34 o  177.798   3.2243  4827.03  174.977  4789.62  230.320  4878.08  269.089  177.072   4.2615  178.670   4.9343 -1.598572 6.519818 
1 1 1    4   11   35 o   76.955   2.8775  904.188   67.589  899.872   91.363  909.406  100.452   76.656   3.9180   77.035   4.2892 -0.3797226 5.809293 
1 1 1    4   11   36 o  244.535   3.8777  9133.84  289.419  9369.42  355.916  8673.99  497.259  247.617   4.7092  238.078   6.8430 9.538925 8.306838 
1 1 1    4   11   37 o  356.551   4.6747 19427.51  508.741 19433.76  689.068 19420.03  754.284  356.407   6.3343  356.193   6.9380 0.2139893 9.394612 
1 1 1    4   11   38 o  137.941   3.0776  2905.63  129.575  2871.66  157.854  2975.79  226.872  137.111   3.7720  139.511   5.3279 -2.399811 6.527948 
1 1 1    4   11   39 f   30.226   5.1294  143.555   45.631  133.650   78.978  148.518   55.907   29.207   8.4060   30.607   6.1970 -1.400764 10.44333 
1 1 1    4   11   40 o  269.383   4.1881 11088.31  344.352 10526.97  431.923 12067.47  570.454  262.369   5.3936  280.760   6.6569 -18.39117 8.567636 
1 1 1    4   11   41 o  136.043   3.4724  2826.97  144.186  2712.61  202.883  2943.68  204.951  133.201   4.9903  138.766   4.8390 -5.564789 6.951129 
1 1 1    4   11   42 o  152.107   5.6909  3539.40  264.210  3485.13  366.049  3598.42  381.744  150.551   7.9946  152.955   8.2069 -2.403915 11.45720 
1 1 1    4   11   43 o  275.152   4.0611 11568.38  341.062 11764.93  402.188 11065.12  643.551  277.417   4.7498  268.645   7.8485 8.771301 9.173875 
1 1 1    4   11   44 o  235.126   3.8585  8446.54  276.905  8688.29  444.653  8293.40  353.906  238.263   6.1143  232.897   4.9786 5.366318 7.884871 
1 1 1    4   11   45 o  217.913   4.6874  7259.23  311.767  6593.40  426.148  8025.98  457.309  207.492   6.7289  228.947   6.5442 -21.45590 9.386399 
1 1 1    4   11   46 o  238.155   4.0820  8667.33  296.722  8511.95  495.874  8754.00  370.342  235.720   6.8922  239.256   5.0713 -3.536102 8.556922 
1 1 1    4   11   47 o  223.390   3.3282  7622.82  226.927  7127.92  402.171  7853.99  274.862  215.780   6.1064  226.707   3.9722 -10.92729 7.284663 
1 1 1    4   11   48 o  326.182   4.4919 16266.03  447.206 15200.06  859.336 16661.95  523.711  314.481   8.9527  330.028   5.1990 -15.54688 10.35278 
1 1 1    4   11   49 o  203.078   2.8688  6298.71  177.822  6414.68  240.550  6158.97  264.044  204.876   3.8468  200.715   4.3100 4.160675 5.777025 
1 1 1    4   11   50 f  125.915   2.6085  2421.24  100.249  2656.85  146.621  2214.41  137.377  131.855   3.6432  120.373   3.7391 11.48271 5.220526 
1 1 1    4   11   51 o  361.210   5.4553 19976.73  601.441 20711.81  903.733 19392.33  805.800  367.086   8.0660  355.392   7.4285 11.69351 10.96551 
1 1 1    4   11   52 o  329.384   4.0723 16590.45  409.409 16848.57  614.454 16384.36  549.037  331.534   6.0722  327.064   5.4999 4.469421 8.192667 
1 1 1    4   11   53 o  157.954   2.5921  3810.98  124.967  3815.90  142.133  3794.24  262.310  158.036   2.9466  157.366   5.4612 0.6693420 6.205406 
1 1 1    4   11   54 o   17.919   6.2153   44.190   41.513   81.665   70.344   24.164   51.422   23.899   8.0968   16.977   6.7088 6.922871 10.51503 
1 1 1    4   11   55 o   61.451   2.7318  577.006   51.237  732.198  101.248  523.581   59.405   68.964   4.8407   58.423   3.3453 10.54040 5.884155 
1 1 1    4   11   56 o   98.387   2.7263  1479.37   81.872  1731.70  166.310  1398.66   94.059  106.257   5.1279   95.639   3.2222 10.61830 6.056251 
1 1 1    4   11   57 o   97.948   3.4091  1467.86  101.917  1803.25  214.240  1369.75  115.868  108.007   6.5295   94.572   4.0141 13.43439 7.664637 
1 1 1    4   11   58 o   22.959   6.2974   83.786   45.456  164.809  142.206   74.565   47.973   33.584   11.512   21.906   6.6171 11.67798 13.27786 
1 1 1    4   11   59 o   82.812   2.9236  1049.08   73.897  1329.75  199.290  1004.34   79.570   92.429   7.1190   81.006   3.2182 11.42277 7.812597 
1 1 1    4   11   60 o  103.033   5.9963  1643.56  187.758  1896.89  486.621  1599.26  203.518  106.789   15.373  101.475   6.6069 5.313240 16.73229 
1 1 1    4   12    2 o  449.958   19.972 31056.64  2742.97   0.0000   0.0000 31056.64  2742.97  ?   ?   449.958   19.972 0.000000 19.97250 
1 1 1    4   12    3 o  575.119   15.954 50643.77  2800.55 45394.42  3082.81 75435.64  6699.59  544.183   18.560  698.629   31.418 -154.4467 36.49114 
1 1 1    4   12    4 o  876.025   19.759 117709.00  5283.25 117024.10  6305.53 119322.70  9678.78  872.517   23.677  876.844   36.164 -4.326965 43.22584 
1 1 1    4   12    5 o  492.062   20.825 37159.61  3127.69 38679.65  4422.44 35638.50  4424.00  499.869   29.112  479.442   30.389 20.42694 42.08310 
1 1 1    4   12    6 o  904.586   37.655 127199.50 10396.49 126440.90 14702.44 127958.20 14703.28  891.709   54.278  897.286   53.937 -5.576904 76.51980 
1 1 1    4   12   11 o  226.611   15.865  7902.43  1090.43   0.0000   0.0000  7902.43  1090.43  ?   ?   226.611   15.865 0.000000 15.86528 
1 1 1    4   12   12 o  114.624   4.1613  2005.60  145.587  2110.89  404.155  1989.91  156.064  116.942   11.471  114.173   4.4784 2.769234 12.31389 
1 1 1    4   12   13 o  218.557   6.1033  7293.72  407.143  7379.23  446.314  6869.75  993.836  219.824   6.6519  211.239   15.523 8.584946 16.88826 
1 1 1    4   12   14 o  553.184   13.915 46832.39  2349.53 46282.41  2586.02 49433.46  5623.88  549.751   15.412  563.828   32.821 -14.07727 36.25951 
1 1 1    4   12   15 o  763.481   18.644 89415.08  4344.61 89426.80  4783.02 89359.79 10387.96  763.115   20.535  752.552   45.438 10.56274 49.86272 
1 1 1    4   12   16 o  860.830   14.859 113465.90  3904.13 112758.80  4298.59 116796.70  9329.78  857.830   16.418  866.739   35.267 -8.908386 38.90095 
1 1 1    4   12   17 o  128.762   3.0470  2530.63  119.749  2400.11  153.834  2731.34  190.766  125.391   4.0195  133.758   4.6726 -8.367004 6.163566 
1 1 1    4   12   18 o  808.268   19.923 100322.00  4915.16 110496.80 11768.01 98171.88  5409.61  835.797   46.311  798.968   22.183 36.82935 51.34985 
1 1 1    4   12   19 o  334.040   21.247 17220.04  2155.05   0.0000   0.0000 17220.04  2155.05  ?   ?   334.040   21.247 0.000000 21.24731 
1 1 1    4   12   20 o  294.810   7.8659 13277.45  707.790   0.0000   0.0000 13277.45  707.790  ?   ?   294.810   7.8659 0.000000 7.865859 
1 1 1    4   12   21 o  498.072   12.713 37964.79  1932.66 37964.79  1932.66   0.0000   0.0000  498.072   12.713  ?   ?  0.000000 12.71293 
1 1 1    4   12   22 o  584.245   7.5775 52146.97  1351.25 52549.73  1911.80 51744.93  1910.11  586.195   10.685  581.680   10.759 4.514404 15.16317 
1 1 1    4   12   23 o  666.494   12.619 68001.17  2567.17 67666.45  3087.66 68750.64  4620.27  664.386   15.226  667.875   22.665 -3.488953 27.30458 
1 1 1    4   12   24 o  301.099   4.2839 13841.17  393.703 13441.99  572.180 14200.08  542.561  296.658   6.3192  304.928   5.8295 -8.269623 8.597396 
1 1 1    4   12   25 o  341.881   10.641 17884.42  1110.41 17935.04  1577.02 17834.64  1563.77  341.910   15.112  340.962   15.026 0.9482422 21.31071 
1 1 1    4   12   26 o  455.803   9.5469 31781.57  1328.18 30906.07  2624.02 32083.14  1540.03  447.863   19.196  457.779   11.022 -9.916168 22.13503 
1 1 1    4   12   27 o   46.941   4.2402  339.193   60.095  351.895   62.803  201.339  206.898   47.808   4.3515   39.022   13.849 8.786060 14.51658 
1 1 1    4   12   28 o  612.336   8.8745 57376.44  1658.64 57197.49  2063.98 57702.71  2786.91  610.925   11.069  612.579   14.905 -1.654419 18.56581 
1 1 1    4   12   29 o  152.182   3.6763  3536.25  170.764  3803.44  241.223  3267.84  241.771  157.792   5.0086  146.248   5.4162 11.54347 7.377109 
1 1 1    4   12   30 o  632.193   13.205 61455.88  2548.11 69876.65  5323.77 58953.55  2902.12  666.829   26.157  618.362   15.376 48.46625 30.34177 
1 1 1    4   12   31 o  390.307   6.7943 23299.91  809.409 24004.30  1259.88 22804.85  1056.21  395.573   10.435  385.823   8.9690 9.749207 13.75974 
1 1 1    4   12   32 o  351.477   6.9187 18899.29  742.235   0.0000   0.0000 18899.29  742.235  ?   ?   351.477   6.9187 0.000000 6.918741 
1 1 1    4   12   33 o  335.243   6.3395 17189.03  648.685 15010.61  1053.58 18518.96  823.218  312.592   11.043  347.784   7.7551 -35.19205 13.49382 
1 1 1    4   12   34 o   59.702   1.9560  544.075   35.642  452.335   54.927  610.799   46.844   54.323   3.3288   63.253   2.4263 -8.930016 4.119223 
1 1 1    4   12   35 f   99.929   2.3995  1524.47   73.185  1475.35  107.024  1567.61  100.302   98.285   3.5676  101.318   3.2434 -3.033134 4.821581 
1 1 1    4   12   36 o  187.263   4.3267  5358.02  247.303  5253.81  258.350  6498.88  854.828  185.421   4.5649  204.695   13.762 -19.27405 14.49949 
1 1 1    4   12   37 o   85.464   3.4903  1115.59   91.047  1107.72   94.263  1224.99  351.539   85.160   3.6265   88.084   13.506 -2.924179 13.98486 
1 1 1    4   12   38 f  302.057   5.2998 13951.02  488.609 12873.94  690.991 15028.13  691.003  289.834   7.8110  313.240   7.2275 -23.40601 10.64181 
1 1 1    4   12   39 o  215.612   2.8701  7098.89  188.881  7145.38  289.390  7064.39  249.305  216.232   4.3848  215.040   3.7983 1.192123 5.801170 
1 1 1    4   12   40 o  268.892   4.0926 11047.86  335.886 11083.05  428.950 10992.07  540.036  269.216   5.2202  267.948   6.6032 1.268127 8.417429 
1 1 1    4   12   41 o  224.555   3.9777  7704.56  272.629  7521.64  337.736  8046.69  461.892  221.798   4.9889  229.248   6.6011 -7.450317 8.274277 
1 1 1    4   12   42 o  187.446   3.4656  5367.07  198.280  5573.27  332.634  5253.42  246.949  190.864   5.7099  185.402   4.3639 5.462509 7.186535 
1 1 1    4   12   43 o  127.533   4.1753  2485.49  162.527  2551.55  316.468  2461.82  189.415  128.729   8.0957  126.893   4.8906 1.836311 9.458228 
1 1 1    4   12   44 o  382.749   5.1587 22403.54  602.660 20967.42  1127.02 22978.63  713.192  369.222   10.001  387.483   6.0303 -18.26016 11.67804 
1 1 1    4   12   45 o  192.220   2.9913  5642.86  175.501  5172.90  598.188  5687.12  183.579  182.947   10.760  192.967   3.1169 -10.01939 11.20231 
1 1 1    4   12   46 o  407.076   5.8651 25362.65  728.732 26691.95  1263.95 24700.75  891.895  416.481   9.9430  401.415   7.2795 15.06534 12.32294 
1 1 1    4   12   47 o  391.357   5.0689 23427.43  605.489 22708.85  876.532 24083.27  837.390  384.797   7.4631  396.407   6.9210 -11.61032 10.17832 
1 1 1    4   12   48 o  320.273   3.8715 15676.32  378.455 15481.23  577.174 15823.46  501.252  317.968   5.9471  321.604   5.1064 -3.636353 7.838607 
1 1 1    4   12   49 o  135.249   2.8380  2793.90  117.157  3022.68  173.461  2602.00  158.870  140.618   4.0415  130.469   3.9895 10.14897 5.678859 
1 1 1    4   12   50 o  445.269   6.2745 30388.18  852.750 30726.02  1015.76 29581.60  1569.49  447.347   7.4393  436.959   11.768 10.38797 13.92219 
1 1 1    4   12   51 o  209.393   2.6701  6696.99  170.648  6609.48  237.702  6790.06  245.133  207.934   3.7453  210.749   3.8108 -2.815277 5.343213 
1 1 1    4   12   52 o  108.316   2.5004  1791.96   82.663  1838.43  102.166  1703.89  140.664  109.689   3.0516  105.532   4.3670 4.157608 5.327551 
1 1 1    4   12   53 o  160.111   3.5224  3919.40  172.141  4043.72  211.403  3674.77  296.551  162.563   4.2606  154.730   6.2793 7.833221 7.588284 
1 1 1    4   12   54 o   99.536   2.6022  1513.66   79.058  1572.02  124.732  1474.48  102.211  101.357   4.0319   98.200   3.4101 3.157555 5.280601 
1 1 1    4   12   55 o  205.283   3.3520  6444.76  210.029  6735.41  356.253  6289.92  260.023  209.475   5.5720  202.681   4.2032 6.793961 6.979541 
1 1 1    4   12   56 o  127.733   2.3708  2492.97   92.429  2608.69  153.452  2427.08  115.790  130.535   3.8515  125.987   3.0111 4.547958 4.888839 
1 1 1    4   12   57 o   52.114   3.0005  416.758   47.525  528.204   78.447  352.136   59.735   58.527   4.4241   47.758   4.1388 10.76838 6.058254 
1 1 1    4   12   58 o  148.108   3.2554  3357.43  147.165  4015.14  893.328  3339.08  149.204  153.533   19.503  147.695   3.3098 5.837372 19.78198 
1 1 1    4   12   59 o   33.094   7.5766  176.686   74.882  249.461  426.023  174.366   76.066   47.777   19.168   32.861   7.7158 14.91587 20.66274 
1 1 1    4   13    0 o  260.221   17.254 10489.54  1356.59 10489.54  1356.59 10489.54  1356.59  260.221   17.254  260.221   17.254 0.000000 0.000000 
1 1 1    4   13    1 o  493.830   20.822 37439.34  3138.46 36679.91  4438.08 38199.03  4438.81  486.344   30.045  496.509   29.421 -10.16574 42.05112 
1 1 1    4   13    2 o  414.976   25.415 26611.45  3203.61 26611.45  3203.61   0.0000   0.0000  414.976   25.415  ?   ?  0.000000 25.41538 
1 1 1    4   13    3 o  401.213   17.070 24665.26  2090.42 23835.19  2951.37 25500.90  2961.25  392.778   24.745  406.468   23.975 -13.69034 34.45447 
1 1 1    4   13    4 o  237.232   10.860  8602.95  786.362  7791.74  1097.83  9457.71  1126.91  224.982   16.093  248.111   14.951 -23.12888 21.96632 
1 1 1    4   13    5 o  465.410   11.456 33117.29  1627.35 33460.82  1790.76 31488.45  3899.36  467.732   12.544  450.816   28.485 16.91620 31.12455 
1 1 1    4   13    6 o  177.010   9.6127  4802.02  517.401  5412.89  724.841  4167.42  738.789  187.687   12.728  164.325   14.892 23.36237 19.59000 
1 1 1    4   13    7 o  404.414   10.045 24995.50  1239.96 25297.78  1364.15 23558.46  2974.34  406.795   10.987  390.370   25.096 16.42538 27.39567 
1 1 1    4   13    8 o  646.539   26.993 64460.14  5326.81 66255.96  7533.35 62664.41  7533.15  651.120   38.072  632.721   39.200 18.39868 54.64565 
1 1 1    4   13    9 f  134.898   5.0898  2778.17  209.568  2778.17  209.568   0.0000   0.0000  134.898   5.0898  ?   ?  0.000000 5.089826 
1 1 1    4   13   11 o  641.639   38.655 64440.58  7535.04   0.0000   0.0000 64440.58  7535.04  ?   ?   641.639   38.655 0.000000 38.65538 
1 1 1    4   13   13 o  198.396   6.3531  6010.68  384.714  6010.68  384.714   0.0000   0.0000  198.396   6.3531  ?   ?  0.000000 6.353110 
1 1 1    4   13   14 o  765.233   17.447 89789.44  4075.13 92430.46  4486.58 77339.18  9741.33  776.079   18.941  699.159   45.903 76.91998 49.65742 
1 1 1    4   13   15 o  201.418   5.8922  6194.73  362.234  6175.62  397.297  6288.89  881.881  201.096   6.4728  202.162   14.386 -1.066254 15.77503 
1 1 1    4   13   16 o  588.513   35.535 54115.63  6353.07   0.0000   0.0000 54115.63  6353.07  ?   ?   588.513   35.535 0.000000 35.53469 
1 1 1    4   13   17 o  428.738   26.283 28474.99  3422.77   0.0000   0.0000 28474.99  3422.77  ?   ?   428.738   26.283 0.000000 26.28273 
1 1 1    4   13   18 o  117.725   4.3248  2115.75  155.400  2212.87  595.410  2108.65  160.980  118.963   16.870  117.526   4.4877 1.436874 17.45714 
1 1 1    4   13   19 o  654.951   11.860 65627.63  2370.89 66212.55  3354.77 65043.99  3351.13  657.054   16.728  651.205   16.860 5.849365 23.75046 
1 1 1    4   13   20 f  231.240   3.7674  8162.60  265.900  9552.24  803.744  7991.82  281.766  249.925   10.536  228.804   4.0347 21.12126 11.28244 
1 1 1    4   13   21 f  767.070   12.554 90076.49  2939.13 90475.55  3374.56 88822.55  5981.89  768.393   14.389  757.896   25.859 10.49622 29.59251 
1 1 1    4   13   22 o   88.554   2.3804  1196.89   64.340  1079.77  123.429  1240.59   75.394   83.954   4.8373   90.154   2.7399 -6.200050 5.559331 
1 1 1    4   13   23 o  367.438   6.2226 20622.81  697.867 20250.03  988.099 20993.84  985.771  363.930   8.8954  370.567   8.7155 -6.637177 12.45345 
1 1 1    4   13   24 o  461.932   7.6987 32614.99  1085.45 32233.39  1231.04 33948.16  2300.97  459.115   8.7848  470.065   16.037 -10.95004 18.28585 
1 1 1    4   13   25 o  426.760   6.3846 27827.72  831.637 27817.06  1400.13 27833.53  1033.75  426.205   10.763  426.664   7.9380 -0.4588013 13.37364 
1 1 1    4   13   26 o  312.079   7.5761 14891.97  721.650 14823.57  1344.11 14919.67  855.391  310.617   14.177  312.249   8.9753 -1.631958 16.77952 
1 1 1    4   13   27 o   36.084   6.5854  205.262   69.857  175.645  277.273  207.269   72.185   41.124   15.767   36.237   6.7755 4.886314 17.16134 
1 1 1    4   13   28 o  132.284   3.6664  2672.07  148.035  2864.09  209.581  2480.89  209.128  136.921   5.0149  127.422   5.3771 9.498718 7.352753 
1 1 1    4   13   29 o  181.443   3.3906  5026.89  187.773  5069.69  336.150  5007.48  226.385  182.107   6.0477  181.070   4.0962 1.037262 7.304345 
1 1 1    4   13   30 o   36.363   5.4889  206.623   59.024  326.772  277.440  200.928   60.406   47.606   16.080   35.812   5.7187 11.79360 17.06678 
1 1 1    4   13   31 o   74.720   7.8348  864.114  176.023  851.037  510.371  865.880  187.529   73.104   21.464   74.724   8.3658 -1.619614 23.03684 
1 1 1    4   13   32 o  431.644   6.5461 28502.29  862.427 27541.95  1452.38 29025.33  1071.86  423.323   11.241  435.316   8.0671 -11.99310 13.83581 
1 1 1    4   13   33 o  248.778   4.7474  9457.71  360.480  9357.86  392.973  9987.72  905.361  247.428   5.2035  254.808   11.641 -7.380112 12.75110 
1 1 1    4   13   34 o   51.916   6.8606  419.652  106.049  419.098  113.471  423.481  298.133   51.801   7.3860   52.567   16.606 -0.7660637 18.17457 
1 1 1    4   13   35 o   70.145   3.0662  751.364   65.646  758.955   86.226  740.896  101.249   70.368   4.0314   69.459   4.8053 0.9091415 6.272420 
1 1 1    4   13   36 o   22.188   5.3890   78.304   36.134   27.859   64.695  101.175   43.562   18.871   7.5035   25.218   5.7827 -6.347446 9.473241 
1 1 1    4   13   37 f   87.795   2.2205  1176.73   59.502  1169.43   81.371  1185.12   87.233   87.509   3.0465   88.090   3.2444 -0.5810318 4.450551 
1 1 1    4   13   38 o  170.872   2.5474  4457.94  132.859  4403.67  209.887  4494.22  171.619  169.767   4.0505  171.539   3.2778 -1.772049 5.210662 
1 1 1    4   13   39 o  130.317   2.8635  2593.32  113.899  2619.08  145.417  2552.43  183.206  130.938   3.6386  129.221   4.6450 1.716827 5.900469 
1 1 1    4   13   40 o   94.211   2.7029  1355.30   77.723  1378.93  107.521  1329.43  112.481   95.006   3.7079   93.279   3.9508 1.727516 5.418188 
1 1 1    4   13   41 o  299.449   4.2035 13703.17  384.192 13765.01  465.409 13570.88  680.696  300.030   5.0822  297.561   7.4948 2.468872 9.055438 
1 1 1    4   13   42 o   99.811   3.3088  1521.65  100.801  1526.75  105.512  1468.32  341.130   99.974   3.4578   96.879   11.779 3.095406 12.27587 
1 1 1    4   13   43 o  250.542   5.3458  9601.22  408.800  8524.42  579.361 10668.93  576.908  235.737   8.0520  263.869   7.1631 -28.13116 10.77706 
1 1 1    4   13   44 o  192.190   4.7758  5647.50  280.152  5507.67  920.528  5661.77  294.104  187.299   16.264  192.415   5.0078 -5.115311 17.01712 
1 1 1    4   13   45 o  298.498   3.8215 13614.82  348.175 13807.60  561.529 13494.41  443.782  300.311   6.1261  297.057   4.8945 3.253845 7.841278 
1 1 1    4   13   46 o   64.708   2.4703  639.349   48.789  623.264   73.353  652.110   65.336   63.753   3.7867   65.254   3.2910 -1.500736 5.016947 
1 1 1    4   13   47 o   26.076   4.4549  106.882   34.183  137.509   60.274   92.359   41.504   29.367   6.8500   24.082   5.7296 5.284822 8.930305 
1 1 1    4   13   48 o   64.939   3.8486  646.810   75.943  614.652  139.272  660.417   90.596   62.861   7.4006   65.556   4.5560 -2.695736 8.690603 
1 1 1    4   13   49 o   63.314   3.2165  614.052   61.954  614.457   81.549  613.499   95.276   63.248   4.2490   63.122   4.9859 0.1264420 6.550761 
1 1 1    4   13   50 o  107.348   3.5612  1761.30  116.682  1752.23  117.673  2292.34  900.551  107.069   3.6008  115.914   26.084 -8.845177 26.33157 
1 1 1    4   13   51 o  272.171   3.6047 11324.36  299.456 11653.70  416.224 10970.97  431.161  275.892   4.9428  267.628   5.2783 8.263885 7.231257 
1 1 1    4   13   52 o  201.084   3.0945  6179.45  189.924  6144.23  225.003  6266.74  354.211  200.452   3.6776  202.154   5.7407 -1.702026 6.817596 
1 1 1    4   13   53 o  178.667   2.9909  4878.80  163.102  4856.32  234.229  4899.96  227.250  178.115   4.3085  178.932   4.1610 -0.8167725 5.989743 
1 1 1    4   13   54 o  122.371   2.9916  2289.09  111.739  2236.23  174.161  2326.08  145.673  120.800   4.7235  123.286   3.8712 -2.486488 6.107224 
1 1 1    4   13   55 o   94.341   2.6182  1360.24   75.392  1471.94  125.388  1297.00   94.352   98.026   4.1908   92.078   3.3572 5.948097 5.369688 
1 1 1    4   13   56 o   38.606   5.1071  232.804   58.702   87.037  710.854  233.805   58.903   53.971   23.384   38.689   5.1134 15.28137 23.93651 
1 1 1    4   13   57 o  154.383   4.8986  3661.17  230.827  4559.45  925.914  3601.64  238.353  164.354   18.796  153.081   5.1013 11.27292 19.47553 
1 1 1    4   13   58 o   62.927   3.1265  606.101   60.051  677.518  123.501  583.988   68.721   65.964   6.2071   61.626   3.6702 4.337910 7.210953 
1 1 1    4   14    0 o  943.228   56.741 140262.80 16200.02 140262.80 16200.02 140262.80 16200.02  943.228   56.741  943.228   56.741 0.000000 0.000000 
1 1 1    4   14    1 o  1062.98   44.291 177469.09 14370.08 189343.30 20323.28 165597.00 20321.46  1082.11   61.789  1007.35   66.467 74.75250 90.75072 
1 1 1    4   14    2 o  447.654   19.057 30747.82  2603.85 29353.55  3682.67 32141.69  3682.14  435.196   27.871  455.779   26.584 -20.58279 38.51596 
1 1 1    4   14    3 o  704.690   28.380 76696.80  6104.25 61651.82  8630.82 91755.02  8634.62  624.461   45.598  767.645   36.852 -143.1842 58.62806 
1 1 1    4   14    4 o  674.525   16.263 69711.14  3348.20 64635.07  3994.62 81699.91  6139.01  648.813   20.172  727.515   27.646 -78.70239 34.22304 
1 1 1    4   14    5 o  477.054   19.957 34940.07  2905.84 33609.67  4101.87 36280.38  4117.12  465.471   29.016  483.943   27.992 -18.47153 40.31761 
1 1 1    4   14    6 o  933.096   23.326 133972.00  6643.24 132051.41  7314.30 143021.41 15877.00  925.503   25.893  944.987   55.287 -19.48315 61.04980 
1 1 1    4   14    7 o  573.484   34.608 51286.56  6029.39 51286.56  6029.39   0.0000   0.0000  573.484   34.608  ?   ?  0.000000 34.60780 
1 1 1    4   14    8 o  546.525   14.874 45739.25  2481.18 45739.25  2481.18   0.0000   0.0000  546.525   14.874  ?   ?  0.000000 14.87412 
1 1 1    4   14    9 o  314.159   19.945 15215.47  1902.57 15215.47  1902.57   0.0000   0.0000  314.159   19.945  ?   ?  0.000000 19.94491 
1 1 1    4   14   10 o  485.161   29.483 36542.78  4345.18 36542.78  4345.18   0.0000   0.0000  485.161   29.483  ?   ?  0.000000 29.48272 
1 1 1    4   14   13 o   86.340   15.216  1175.52  386.327   0.0000   0.0000  1175.52  386.327  ?   ?    86.340   15.216 0.000000 15.21567 
1 1 1    4   14   14 o  345.360   14.998 18271.47  1580.97   0.0000   0.0000 18271.47  1580.97  ?   ?   345.360   14.998 0.000000 14.99799 
1 1 1    4   14   15 o  111.853   13.325  1942.13  445.953   0.0000   0.0000  1942.13  445.953  ?   ?   111.853   13.325 0.000000 13.32464 
1 1 1    4   14   16 o  444.489   11.562 30223.62  1568.56   0.0000   0.0000 30223.62  1568.56  ?   ?   444.489   11.562 0.000000 11.56171 
1 1 1    4   14   17 o  554.644   23.152 47417.33  3919.38 49956.23  5545.72 44883.71  5539.96  565.810   32.246  535.534   34.070 30.27704 46.90972 
1 1 1    4   14   18 o  464.573   10.468 33008.69  1484.35 33589.78  1609.36 29698.32  3841.24  468.566   11.253  436.637   28.987 31.92947 31.09496 
1 1 1    4   14   19 f  379.445   11.714 22035.54  1356.63 22043.29  1927.97 22027.94  1909.29  378.959   16.668  378.847   16.512 0.1116028 23.46202 
1 1 1    4   14   20 o  268.878   6.4392 11043.35  528.452 10946.89  614.339 11317.80  1036.26  267.656   7.5199  271.850   12.489 -4.194122 14.57806 
1 1 1    4   14   21 o  521.312   8.9540 41556.11  1424.73 42709.29  2103.25 40578.27  1936.76  527.914   13.053  514.691   12.329 13.22345 17.95481 
1 1 1    4   14   22 o  117.429   3.9507  2105.35  141.602  2126.49  366.948  2101.66  153.490  117.420   10.344  117.322   4.2863 0.9789276E-01 11.19729 
1 1 1    4   14   23 o  346.793   7.3531 18384.18  778.321 18439.14  960.789 18279.25  1327.48  347.163   9.0673  345.253   12.597 1.909943 15.52116 
1 1 1    4   14   24 o  397.779   7.2072 24190.42  875.041 23849.21  954.584 25985.69  2189.58  394.891   7.9199  410.501   17.476 -15.60965 19.18644 
1 1 1    4   14   25 o  239.690   4.6271  8774.92  338.514  8707.87  463.121  8851.84  496.035  238.686   6.3570  240.627   6.7538 -1.941254 9.274991 
1 1 1    4   14   26 o  422.720   7.8531 27341.85  1013.24 28723.26  1506.51 26200.81  1369.19  432.641   11.408  413.315   10.853 19.32574 15.74639 
1 1 1    4   14   27 o   80.897   3.3291  999.246   82.201  1051.36  117.007  948.459  115.506   82.829   4.6470   78.644   4.8354 4.185600 6.706387 
1 1 1    4   14   28 o  409.059   7.7272 25612.70  964.774 26439.98  3135.80 25526.21  1013.96  409.057   25.239  408.302   8.1362 0.7552490 26.51813 
1 1 1    4   14   29 f  397.349   17.383 24481.43  2108.25   0.0000   0.0000 24481.43  2108.25  ?   ?   397.349   17.383 0.000000 17.38328 
1 1 1    4   14   30 o  173.705   4.8974  4610.95  259.653  5108.22  547.092  4466.37  294.994  182.196   9.8748  170.922   5.6546 11.27422 11.37919 
1 1 1    4   14   31 o  168.895   3.0471  4355.68  157.082  4410.28  197.043  4260.49  260.191  169.925   3.7992  166.957   5.1059 2.967331 6.364240 
1 1 1    4   14   32 o  200.985   4.2859  6171.68  262.919  6005.37  347.418  6394.60  402.220  198.170   5.7438  204.438   6.4459 -6.267776 8.633718 
1 1 1    4   14   33 o  100.933   3.3925  1555.87  104.512  1555.87  104.512   0.0000   0.0000  100.933   3.3925  ?   ?  0.000000 3.392474 
1 1 1    4   14   34 o  168.717   3.8289  4348.41  197.173  4302.83  205.780  4859.33  688.960  167.822   4.0173  177.018   12.839 -9.195908 13.45259 
1 1 1    4   14   35 o  326.548   5.6700 16310.04  565.127 15041.26  802.330 17559.27  796.128  313.173   8.3937  338.503   7.7055 -25.32993 11.39425 
1 1 1    4   14   36 o   92.805   2.4157  1314.97   68.427  1346.57  104.480  1291.24   90.549   93.889   3.6459   91.949   3.2264 1.939774 4.868492 
1 1 1    4   14   37 o  200.577   3.7880  6146.27  231.905  6143.05  262.184  6157.83  497.102  200.494   4.2844  200.381   8.1278 0.1136627 9.187863 
1 1 1    4   14   38 o   18.154   7.9870 -24.1377   85.696 -27.3614   99.191 -14.6494  170.173   19.551   8.5974   26.741   11.514 -7.190304 14.36947 
1 1 1    4   14   39 o  196.790   4.1203  5917.80  247.487  5946.69  258.960  5613.25  840.763  197.258   4.3011  189.689   14.635 7.569397 15.25371 
1 1 1    4   14   40 o  106.800   3.4650  1742.34  112.951  1711.65  171.925  1765.65  149.821  105.652   5.3488  107.475   4.5672 -1.822571 7.033447 
1 1 1    4   14   41 o  178.881   3.7696  4888.79  205.817  4800.01  231.684  5221.10  448.246  177.221   4.2832  184.505   7.9596 -7.284256 9.038841 
1 1 1    4   14   42 o  102.301   4.5063  1599.76  140.708  1655.92  173.476  1491.74  240.570  103.896   5.4899   98.282   8.0915 5.614624 9.778107 
1 1 1    4   14   43 o  183.752   3.5062  5158.15  196.643   0.0000   0.0000  5158.15  196.643  ?   ?   183.752   3.5062 0.000000 3.506154 
1 1 1    4   14   44 o  187.835   2.8896  5388.35  165.664  5492.51  368.169  5361.90  185.505  189.377   6.3694  187.356   3.2439 2.021332 7.147931 
1 1 1    4   14   45 o  238.790   2.9341  8708.90  213.852  8727.35  306.936  8691.49  298.121  238.944   4.2086  238.462   4.0960 0.4813385 5.872728 
1 1 1    4   14   46 o  129.303   2.3948  2552.98   94.515  2645.93  188.942  2521.95  109.153  131.531   4.7063  128.502   2.7830 3.028671 5.467601 
1 1 1    4   14   47 o  243.115   3.8041  9033.71  282.282  9874.19  446.677  8474.85  364.235  253.926   5.7633  235.338   5.0708 18.58812 7.676455 
1 1 1    4   14   48 o  206.518   3.8917  6519.91  245.308  6519.91  245.308   0.0000   0.0000  206.518   3.8917  ?   ?  0.000000 3.891671 
1 1 1    4   14   49 f  126.242   2.5071  2434.05   96.605  2609.02  123.310  2155.99  155.446  130.675   3.0916  118.725   4.2896 11.94978 5.287638 
1 1 1    4   14   50 o  273.684   3.7287 11452.31  311.478 12591.91  533.052 10861.46  383.823  286.533   6.0950  266.381   4.7207 20.15201 7.709404 
1 1 1    4   14   51 o   92.672   3.0857  1312.50   87.282  1467.63  119.853  1137.33  127.358   97.949   4.0090   86.041   4.8696 11.90807 6.307515 
1 1 1    4   14   52 o  127.854   4.0003  2501.28  156.107  2401.11  184.142  2757.20  294.322  125.193   4.8190  133.643   7.2424 -8.449982 8.699164 
1 1 1    4   14   53 o  108.666   3.1019  1805.33  102.881  2078.32  189.562  1691.35  122.491  116.388   5.3361  105.131   3.8173 11.25718 6.560926 
1 1 1    4   14   54 o   43.041   3.1956  284.883   41.681  350.737  100.377  271.162   45.818   47.157   7.2022   41.940   3.6146 5.217758 8.058330 
1 1 1    4   14   55 o   66.260   3.6927  674.321   74.386  692.720  710.463  674.117   74.797   67.190   25.363   66.248   3.7140 0.9416351 25.63312 
1 1 1    4   14   56 o   90.259   3.3836  1247.17   93.215  1367.97  740.014  1245.22   93.964   85.646   26.016   90.186   3.4135 -4.540070 26.23851 
1 1 1    4   14   57 o  131.474   3.1091  2645.71  124.767  2697.07  205.304  2615.64  157.107  132.421   5.0795  130.609   3.9410 1.812088 6.429059 
1 1 1    4   15    0 o  181.508   13.661  5119.60  746.984  5119.60  746.984  5119.60  746.984  181.508   13.661  181.508   13.661 0.000000 0.000000 
1 1 1    4   15    1 o  425.310   16.456 27725.93  2136.26 17677.84  3017.27 37825.62  3025.01  336.724   29.661  496.263   19.971 -159.5381 35.75737 
1 1 1    4   15    2 o  565.689   22.921 49249.57  3957.64 42410.85  5593.29 56106.21  5600.62  520.803   35.397  601.064   30.630 -80.26025 46.80910 
1 1 1    4   15    3 o  439.354   18.706 29625.33  2508.51 29147.37  3546.24 30104.01  3548.91  433.687   26.923  440.877   26.496 -7.190399 37.77423 
1 1 1    4   15    4 o  279.552   7.8390 11938.41  668.869 11038.15  734.372 16320.27  1620.17  268.765   8.9521  326.317   16.267 -57.55228 18.56751 
1 1 1    4   15    5 o  498.143   14.627 38002.16  2223.99 15244.23  3133.48 61103.79  3157.05  311.525   33.480  631.382   16.382 -319.8571 37.27314 
1 1 1    4   15    6 o  770.206   30.375 91903.16  7140.72 68388.20 10095.81 115443.20 10101.20  653.877   50.989  859.342   38.511 -205.4646 63.89823 
1 1 1    4   15    7 o  706.874   42.739 78820.14  9177.78 78820.14  9177.78   0.0000   0.0000  706.874   42.739  ?   ?  0.000000 42.73913 
1 1 1    4   15    8 o  198.799   14.414  6083.81  868.661  6083.81  868.661   0.0000   0.0000  198.799   14.414  ?   ?  0.000000 14.41383 
1 1 1    4   15    9 o  489.551   11.742 36660.47  1754.58 37411.77  1931.01 33103.56  4201.60  494.434   12.796  461.298   30.004 33.13593 32.61883 
1 1 1    4   15   10 o  296.911   7.9923 13468.49  724.297 13250.17  796.000 14519.17  1746.22  294.458   8.8567  306.955   18.728 -12.49680 20.71657 
1 1 1    4   15   11 o  155.461   9.4733  3707.86  447.369   0.0000   0.0000  3707.86  447.369  ?   ?   155.461   9.4733 0.000000 9.473342 
1 1 1    4   15   12 o  376.311   23.557 21911.07  2692.08   0.0000   0.0000 21911.07  2692.08  ?   ?   376.311   23.557 0.000000 23.55684 
1 1 1    4   15   13 o   33.225   14.717 -102.9577  295.797   0.0000   0.0000 -102.9577  295.797  ?   ?    33.225   14.717 0.000000 14.71730 
1 1 1    4   15   14 o  859.972   52.891 119355.90 13815.74   0.0000   0.0000 119355.90 13815.74  ?   ?   859.972   52.891 0.000000 52.89122 
1 1 1    4   15   15 o  475.574   29.110 35232.35  4205.21   0.0000   0.0000 35232.35  4205.21  ?   ?   475.574   29.110 0.000000 29.11045 
1 1 1    4   15   16 o  211.685   10.429  6854.49  673.862   0.0000   0.0000  6854.49  673.862  ?   ?   211.685   10.429 0.000000 10.42949 
1 1 1    4   15   17 o  285.064   6.8448 12414.67  595.552 12636.64  708.588 11880.61  1099.11  287.542   8.0738  278.485   12.931 9.056519 15.24436 
1 1 1    4   15   18 o  315.679   7.3692 15228.48  710.039 15634.06  845.528 14258.29  1307.72  319.774   8.6630  304.924   14.051 14.84976 16.50682 
1 1 1    4   15   19 o  468.841   7.1173 33591.43  1018.49 35195.65  1291.70 30954.88  1655.95  479.732   8.8216  449.494   12.070 30.23715 14.95006 
1 1 1    4   15   20 o  297.781   4.9113 13542.27  446.387 13809.56  566.791 13105.68  724.387  300.643   6.1767  292.762   8.1066 7.881378 10.19158 
1 1 1    4   15   21 o  302.532   5.3706 13981.06  495.922 15364.68  704.446 12621.58  698.273  317.023   7.2801  287.285   7.9634 29.73874 10.78960 
1 1 1    4   15   22 o  361.311   6.7536 19955.78  744.785 19740.58  819.264 20980.55  1787.78  359.292   7.4707  369.096   15.869 -9.804382 17.53980 
1 1 1    4   15   23 o  353.608   5.7613 19107.57  621.810 19706.84  788.356 18120.97  1011.53  358.977   7.1951  343.948   9.6354 15.02838 12.02540 
1 1 1    4   15   24 o  474.103   9.1464 34428.96  1323.55 35768.20  1872.76 33092.52  1870.81  482.414   12.719  463.890   13.213 18.52390 18.33978 
1 1 1    4   15   25 o  241.612   5.7588  8922.95  424.683  8388.01  1202.34  8999.21  453.943  232.234   17.082  242.617   6.1300 -10.38274 18.14877 
1 1 1    4   15   26 o  138.636   4.1350  2935.72  174.973  3238.02  395.344  2862.08  195.125  145.091   8.9713  136.870   4.6708 8.221481 10.11433 
1 1 1    4   15   27 f  297.343   11.061 13581.32  1003.88   0.0000   0.0000 13581.32  1003.88  ?   ?   297.343   11.061 0.000000 11.06126 
1 1 1    4   15   28 o  188.197   4.1184  5410.33  236.569  6523.64  909.655  5329.57  244.999  205.022   14.633  186.779   4.2975 18.24303 15.25062 
1 1 1    4   15   29 o  123.597   5.3258  2335.21  200.914  2229.36  221.559  2825.07  476.647  120.736   6.0122  135.025   11.681 -14.28864 13.13711 
1 1 1    4   15   30 o  116.557   3.5304  2074.88  125.596  1862.42  179.552  2278.43  175.748  110.374   5.3298  122.104   4.7157 -11.72937 7.116451 
1 1 1    4   15   31 o  242.039   4.6900  8953.04  346.476  8955.52  362.423  8926.64  1181.04  242.057   4.9055  239.308   16.266 2.748947 16.98940 
1 1 1    4   15   32 o   86.909   2.7083  1153.27   71.843  1173.12   93.301  1124.36  112.601   87.640   3.4879   85.672   4.3200 1.967697 5.552325 
1 1 1    4   15   33 o   66.524   2.7022  675.724   54.867  623.549   91.004  705.520   68.772   63.698   4.7143   67.967   3.3151 -4.268871 5.763190 
1 1 1    4   15   34 o  273.716   8.0986 11487.76  676.592 11669.91  1085.24 11371.94  865.358  274.876   12.935  271.912   10.427 2.963776 16.61435 
1 1 1    4   15   35 o  256.599   4.1566 10061.35  325.548  9996.85  524.146 10101.86  415.382  255.511   6.7209  257.013   5.2951 -1.501633 8.556192 
1 1 1    4   15   36 o  229.613   5.0064  8061.31  350.861  8178.23  399.021  7662.75  736.698  231.211   5.6542  223.087   10.819 8.123962 12.20762 
1 1 1    4   15   37 o  226.233   9.5050  7865.43  656.331  7993.32  826.612  7647.27  1079.64  227.302   11.957  221.091   16.110 6.210785 20.06205 
1 1 1    4   15   38 o  217.733   5.4571  7251.81  362.665  7329.89  389.087  6734.74  1001.24  218.867   5.8244  207.446   15.935 11.42046 16.96585 
1 1 1    4   15   39 o  237.909   4.3432  8650.78  315.385  8304.16  433.121  9042.01  460.148  232.927   6.0922  243.042   6.2030 -10.11504 8.694328 
1 1 1    4   15   40 o  150.780   4.8471  3476.10  223.073  2925.96  737.498  3531.50  234.036  135.539   18.294  151.965   5.0457 -16.42603 18.97753 
1 1 1    4   15   41 o   37.321   7.4238  221.013   81.590   0.0000   0.0000  221.013   81.590  ?   ?    37.321   7.4238 0.000000 7.423798 
1 1 1    4   15   42 o  311.944   6.1205 14897.79  582.748   0.0000   0.0000 14897.79  582.748  ?   ?   311.944   6.1205 0.000000 6.120511 
1 1 1    4   15   43 o  154.740   3.0016  3657.11  141.767  3842.92  245.501  3564.15  173.645  158.504   5.0745  152.727   3.7250 5.776520 6.294977 
1 1 1    4   15   44 o  297.226   4.5746 13508.67  415.007 13147.78  516.989 14162.61  695.933  293.057   5.7798  303.831   7.5044 -10.77402 9.472201 
1 1 1    4   15   45 f   96.656   2.8213  1426.88   83.233  1523.18  107.270  1281.19  131.941   99.842   3.5200   91.400   4.7459 8.442444 5.908800 
1 1 1    4   15   46 o  234.270   4.5028  8393.81  321.972  8389.18  350.086  8419.17  820.025  234.159   4.8983  233.229   11.519 0.9293976 12.51752 
1 1 1    4   15   47 o  224.417   5.0127  7708.22  343.357  7789.90  391.691  7437.17  713.522  225.509   5.6907  219.324   10.659 6.184616 12.08268 
1 1 1    4   15   48 o  138.605   3.1961  2935.64  135.214  3101.47  169.413  2644.63  224.425  142.422   3.8972  131.383   5.5965 11.03925 6.819727 
1 1 1    4   15   49 o   63.185   4.4611  613.959   85.482  719.094  216.906  594.628   93.009   67.272   10.940   62.122   4.9463 5.150597 12.00592 
1 1 1    4   15   50 o   51.549   4.1213  409.151   64.301  479.613   98.629  357.063   84.800   55.606   5.9014   47.884   5.9289 7.721874 8.365343 
1 1 1    4   15   51 o   90.503   2.6468  1251.48   73.115  1375.04  113.925  1164.96   95.340   94.797   3.9374   87.275   3.5790 7.521812 5.320954 
1 1 1    4   15   52 o   21.464   7.1752   66.885   55.235  102.371  121.699   57.678   61.988   28.653   10.560   21.059   7.5690 7.594524 12.99217 
1 1 1    4   15   53 o  118.244   2.8169  2137.43  101.663  2423.24  234.181  2071.06  112.851  125.501   6.1135  116.366   3.1773 9.135231 6.889833 
1 1 1    4   15   54 o   80.396   2.7909  988.307   68.486   0.0000   0.0000  988.307   68.486  ?   ?    80.396   2.7909 0.000000 2.790923 
1 1 1    4   15   55 o   69.548   3.0110  740.024   63.916  874.599  262.846  731.566   65.894   73.361   12.165   69.143   3.1223 4.217735 12.55921 
1 1 1    4   15   56 o   22.266   8.2017   61.821   73.404  -3.9124  112.746  110.183   96.708   21.851   9.3895   27.620   9.4917 -5.768625 13.35121 
1 1 1    4   16    0 o  391.054   24.414 23722.41  2888.00 23722.41  2888.00 23722.41  2888.00  391.054   24.414  391.054   24.414 0.000000 0.000000 
1 1 1    4   16    1 o  521.998   19.053 41853.22  3035.68 26427.37  4286.96 57367.73  4299.26  410.428   34.542  610.219   23.083 -199.7910 41.54515 
1 1 1    4   16    2 o  627.236   26.243 60781.35  5024.07 59827.27  7103.93 61736.06  7106.30  617.161   37.896  627.243   37.286 -10.08197 53.16348 
1 1 1    4   16    3 f  369.742   16.483 20965.45  1860.15 24112.31  2626.92 17800.64  2634.40  395.204   21.863  338.583   25.683 56.62091 33.72820 
1 1 1    4   16    4 f  207.819   6.4143  6596.00  406.864  5125.39  444.407 14213.38  1011.43  183.156   7.9495  304.853   10.870 -121.6967 13.46668 
1 1 1    4   16    5 o  414.413   16.042 26332.82  2029.18 19189.71  2860.78 33565.61  2878.68  351.295   26.885  467.238   20.185 -115.9435 33.61904 
1 1 1    4   16    6 f  455.321   17.662 31822.19  2454.63 23169.38  3464.31 40545.95  3478.48  385.416   29.677  513.098   22.211 -127.6823 37.06851 
1 1 1    4   16    7 f  413.947   11.490 26215.47  1451.77 26215.47  1451.77   0.0000   0.0000  413.947   11.490  ?   ?  0.000000 11.49040 
1 1 1    4   16    8 o  266.086   17.741 10918.08  1432.58   0.0000   0.0000 10918.08  1432.58  ?   ?   266.086   17.741 0.000000 17.74094 
1 1 1    4   16    9 o  208.265   14.880  6681.81  939.660   0.0000   0.0000  6681.81  939.660  ?   ?   208.265   14.880 0.000000 14.88011 
1 1 1    4   16   10 o  336.501   21.241 17506.15  2170.46   0.0000   0.0000 17506.15  2170.46  ?   ?   336.501   21.241 0.000000 21.24139 
1 1 1    4   16   11 o  334.258   21.137 17277.64  2145.35   0.0000   0.0000 17277.64  2145.35  ?   ?   334.258   21.137 0.000000 21.13697 
1 1 1    4   16   12 o  404.959   17.460 25194.06  2158.11 24417.88  3052.44 25969.82  3051.62  396.443   25.359  409.119   24.551 -12.67542 35.29656 
1 1 1    4   16   13 o  149.232   7.3771  3402.91  336.018  4140.14  574.981  3020.55  414.087  164.053   11.557  140.197   9.7373 23.85603 15.11206 
1 1 1    4   16   14 o  228.865   11.120  8017.72  776.799  7987.65  1094.23  8048.27  1102.94  227.541   15.855  228.396   15.921 -0.8556366 22.46882 
1 1 1    4   16   15 o  437.920   27.036 29931.21  3596.07   0.0000   0.0000 29931.21  3596.07  ?   ?   437.920   27.036 0.000000 27.03620 
1 1 1    4   16   16 o  574.526   35.261 52314.70  6153.48   0.0000   0.0000 52314.70  6153.48  ?   ?   574.526   35.261 0.000000 35.26135 
1 1 1    4   16   17 o  168.935   13.356  4406.05  683.077   0.0000   0.0000  4406.05  683.077  ?   ?   168.935   13.356 0.000000 13.35637 
1 1 1    4   16   18 o  110.014   3.2344  1847.72  108.607  1963.30  161.879  1753.10  146.463  113.381   4.6777  107.143   4.4786 6.237938 6.476045 
1 1 1    4   16   19 o  205.403   5.3097  6445.37  332.887  6658.95  394.683  5918.98  619.620  208.740   6.1948  196.282   10.379 12.45837 12.08754 
1 1 1    4   16   20 o  611.831   15.890 57700.34  2967.35 56120.65  3266.35 65163.00  7099.44  602.654   17.757  635.745   36.743 -33.09027 40.80935 
1 1 1    4   16   21 o  337.014   14.779 17496.36  1520.19 18826.22  2154.10 16176.89  2145.66  347.562   20.395  321.541   21.995 26.02130 29.99557 
1 1 1    4   16   22 o  690.893   29.514 75795.20  6223.80 78076.74  8804.35 73516.33  8799.22  686.406   42.229  664.223   43.645 22.18243 60.73057 
1 1 1    4   16   23 o  202.331   4.1938  6253.05  258.993  6442.96  907.402  6236.21  270.234  203.869   14.681  202.050   4.3819 1.818573 15.32077 
1 1 1    4   16   24 o   59.839   3.3273  548.463   60.531  633.472   88.544  473.879   82.938   64.232   4.5458   55.468   4.9509 8.763824 6.721234 
1 1 1    4   16   25 o  463.127   8.9948 32878.66  1271.47   0.0000   0.0000 32878.66  1271.47  ?   ?   463.127   8.9948 0.000000 8.994776 
1 1 1    4   16   26 o  230.888   11.019  8192.19  776.541  9119.03  1153.02  7422.83  1050.51  242.260   15.677  218.421   15.866 23.83888 22.30491 
1 1 1    4   16   27 o  307.434   8.3951 14484.94  787.760 14242.69  854.166 15863.73  2037.77  304.727   9.1836  317.549   21.145 -12.82236 23.05359 
1 1 1    4   16   28 o   85.781   3.4814  1123.81   91.150  914.450  139.968  1277.99  120.110   77.090   5.9957   91.458   4.3027 -14.36717 7.379857 
1 1 1    4   16   29 o  367.275   6.6494 20644.83  745.398 19591.74  1057.45 21684.89  1050.89  357.210   9.6988  375.931   9.1586 -18.72107 13.33968 
1 1 1    4   16   30 o   63.283   3.3333  613.326   64.157  632.353   95.686  597.786   86.475   64.130   4.9261   62.375   4.5740 1.754387 6.722208 
1 1 1    4   16   31 o   25.932   5.8519  106.971   45.218  108.017   65.654  106.027   62.369   26.320   7.6901   26.017   7.4648 0.3031445 10.71731 
1 1 1    4   16   32 o  236.150   8.1044  8551.19  584.151  8989.96  842.329  8144.65  810.803  241.569   11.424  229.613   11.607 11.95609 16.28586 
1 1 1    4   16   33 o   52.668   3.1939  425.202   51.100  391.621   73.221  457.087   71.348   50.384   4.8202   54.519   4.3231 -4.135025 6.474782 
1 1 1    4   16   34 o  479.380   7.1739 35208.96  1049.67 34546.32  1373.51 36139.37  1627.54  474.151   9.4907  484.388   11.008 -10.23709 14.53464 
1 1 1    4   16   35 o   37.054   8.6236  219.177   95.702  249.062  109.557  122.929  196.611   39.483   9.2526   34.478   13.263 5.004883 16.17181 
1 1 1    4   16   36 o  102.018   4.8836  1591.31  152.068  1602.78  165.877  1530.87  380.680  102.228   5.3347   98.696   12.950 3.532227 14.00533 
1 1 1    4   16   37 o  305.616   5.5878 14289.43  521.233 14356.30  545.532 13588.52  1766.14  306.296   5.8353  293.236   19.850 13.06018 20.68970 
1 1 1    4   16   38 o   63.947   4.3644  627.914   84.675  632.543   90.622  596.080  237.657   64.156   4.6597   60.933   13.163 3.222622 13.96353 
1 1 1    4   16   39 o  104.751   3.0050  1675.80   96.076  1390.71  193.011  1769.70  110.775   95.053   6.6955  107.635   3.3719 -12.58192 7.496587 
1 1 1    4   16   40 o  154.272   4.9101  3639.51  231.205   0.0000   0.0000  3639.51  231.205  ?   ?   154.272   4.9101 0.000000 4.910136 
1 1 1    4   16   41 o  244.044   4.7865  9107.38  356.534  9508.11  556.308  8828.05  464.461  249.021   7.3192  240.091   6.3381 8.930099 9.682028 
1 1 1    4   16   42 o   42.339   3.2494  275.439   41.670  244.533   80.776  286.646   48.642   39.362   6.9789   43.151   3.7299 -3.788780 7.913079 
1 1 1    4   16   43 o  166.713   2.9102  4245.05  148.087  4141.32  208.845  4349.94  210.013  164.593   4.1571  168.693   4.0788 -4.100067 5.823950 
1 1 1    4   16   44 o  176.002   3.3540  4732.90  180.178  4881.37  299.413  4648.61  225.597  178.567   5.4935  174.367   4.2389 4.199661 6.938812 
1 1 1    4   16   45 f  227.160   4.4770  7892.46  310.411  7968.89  338.096  7482.28  783.234  228.213   4.8538  219.459   11.735 8.753754 12.69956 
1 1 1    4   16   46 f  170.342   4.5409  4439.09  236.092  4503.62  268.168  4216.73  497.816  171.518   5.1225  164.969   9.9330 6.549377 11.17607 
1 1 1    4   16   47 o  138.688   3.8134  2940.92  161.423  3151.06  228.052  2729.90  228.521  143.441   5.2089  133.474   5.6093 9.966812 7.654865 
1 1 1    4   16   48 o  143.513   3.1367  3147.55  137.397  3125.30  172.901  3185.68  226.332  142.945   3.9629  144.210   5.1420 -1.264816 6.491891 
1 1 1    4   16   49 o   72.653   2.8262  806.560   62.673  761.365   99.120  836.664   80.896   70.362   4.6414   73.968   3.5831 -3.606392 5.863605 
1 1 1    4   16   50 o  129.828   2.9464  2576.23  116.756  2950.03  215.906  2421.74  138.802  138.719   5.0993  125.827   3.6141 12.89173 6.250182 
1 1 1    4   16   51 o   87.045   3.7278  1159.48   99.040  1298.56  185.329  1103.89  117.175   91.606   6.6742   84.756   4.5460 6.849815 8.075370 
1 1 1    4   16   52 o   39.882   6.3330  250.796   74.514 -27.0683  630.143  254.736   75.040   49.445   21.708   40.203   6.3242 9.242252 22.61049 
1 1 1    4   16   53 o  190.402   4.1756  5556.97  242.667   0.0000   0.0000  5556.97  242.667  ?   ?   190.402   4.1756 0.000000 4.175635 
1 1 1    4   16   54 o  167.475   3.3347  4293.90  170.461  3960.81  634.170  4319.84  176.974  156.697   13.388  167.962   3.4521 -11.26503 13.82594 
1 1 1    4   16   55 o  134.898   4.1936  2792.39  172.668  2655.13  264.125  2894.83  228.180  130.843   6.6354  137.091   5.4532 -6.248383 8.588686 
1 1 1    4   17    0 o  289.076   18.981 12961.45  1658.16 12961.45  1658.16 12961.45  1658.16  289.076   18.981  289.076   18.981 0.000000 0.000000 
1 1 1    4   17    1 o  449.056   17.267 30971.73  2366.61 19620.42  3340.16 42415.08  3353.67  353.562   31.274  524.719   20.940 -171.1566 37.63729 
1 1 1    4   17    2 o  520.178   21.672 41714.34  3440.84 48112.01  4867.81 35325.71  4864.36  555.806   28.793  474.162   33.833 81.64368 44.42645 
1 1 1    4   17    3 o  290.802   12.865 12952.39  1141.87 11841.58  1604.74 14091.63  1625.15  276.809   19.111  302.330   17.688 -25.52142 26.04034 
1 1 1    4   17    4 o  412.148   15.700 26065.03  1975.01 16666.63  2786.27 35556.00  2799.96  326.443   28.242  480.750   19.082 -154.3065 34.08410 
1 1 1    4   17    6 o  362.500   22.806 20370.52  2510.47   0.0000   0.0000 20370.52  2510.47  ?   ?   362.500   22.806 0.000000 22.80608 
1 1 1    4   17    8 o  279.824   18.428 12099.58  1565.11   0.0000   0.0000 12099.58  1565.11  ?   ?   279.824   18.428 0.000000 18.42815 
1 1 1    4   17    9 o  460.782   28.300 33175.47  3960.85 33175.47  3960.85   0.0000   0.0000  460.782   28.300  ?   ?  0.000000 28.29978 
1 1 1    4   17   10 o  253.812   6.3146  9841.72  489.190 10028.72  578.206  9370.73  917.623  256.161   7.3952  247.310   12.156 8.851517 14.22913 
1 1 1    4   17   11 o  427.286   9.8855 27939.07  1289.24 27927.09  1535.77 27967.67  2372.55  426.949   11.785  426.108   18.242 0.8407593 21.71793 
1 1 1    4   17   12 o  417.440   18.002 26848.34  2293.74 27972.54  3243.34 25723.47  3244.32  423.457   25.208  405.609   26.349 17.84842 36.46490 
1 1 1    4   17   13 o  197.616   10.018  5993.88  602.272  7045.65  854.875  4957.39  848.642  213.885   13.159  178.867   15.703 35.01749 20.48790 
1 1 1    4   17   14 o  407.272   14.333 25489.17  1781.75 25123.13  3085.82 25672.24  2182.29  400.659   25.364  408.037   17.522 -7.378174 30.82843 
1 1 1    4   17   15 o  381.659   13.492 22376.37  1571.64 23310.16  2723.15 21909.98  1924.51  386.424   23.196  376.999   16.725 9.424652 28.59642 
1 1 1    4   17   16 o   61.503   16.242  604.023  309.412   0.0000   0.0000  604.023  309.412  ?   ?    61.503   16.242 0.000000 16.24183 
1 1 1    4   17   17 o  594.870   37.197 57287.07  6719.93   0.0000   0.0000 57287.07  6719.93  ?   ?   594.870   37.197 0.000000 37.19735 
1 1 1    4   17   18 o  286.994   18.799 12819.37  1637.66   0.0000   0.0000 12819.37  1637.66  ?   ?   286.994   18.799 0.000000 18.79922 
1 1 1    4   17   19 o  322.080   20.696 16214.81  2023.78   0.0000   0.0000 16214.81  2023.78  ?   ?   322.080   20.696 0.000000 20.69602 
1 1 1    4   17   20 o  147.614   8.8684  3350.44  397.716  3456.77  570.140  3249.66  555.074  149.385   12.622  144.798   12.687 4.587021 17.89688 
1 1 1    4   17   21 o  200.803   5.4530  6163.26  334.212  6747.62  892.669  6068.00  360.427  208.719   14.095  199.217   5.9275 9.501892 15.29062 
1 1 1    4   17   22 o  312.750   6.3911 14960.85  610.089 14309.72  863.333 15610.37  862.261  305.493   9.2589  319.138   8.8520 -13.64600 12.80961 
1 1 1    4   17   23 o  221.135   15.484  7600.38  1038.53   0.0000   0.0000  7600.38  1038.53  ?   ?   221.135   15.484 0.000000 15.48435 
1 1 1    4   17   24 o  337.652   9.2349 17487.04  951.745 17191.54  1048.06 18876.76  2272.86  334.589   10.263  346.318   21.610 -11.72888 23.92305 
1 1 1    4   17   25 o  226.945   5.0038  7872.24  346.607  7863.30  497.187  7880.69  483.455  226.631   7.1876  226.902   6.9807 -0.2708435 10.01958 
1 1 1    4   17   26 o   84.191   2.7287  1082.25   70.118  1141.99   93.695  1006.19  105.714   86.470   3.5501   81.038   4.2892 5.432030 5.567801 
1 1 1    4   17   27 o   81.753   3.7167  1020.91   92.742  897.290  281.583  1035.95   98.222   75.276   12.708   82.349   3.9078 -7.073082 13.29538 
1 1 1    4   17   28 o  391.255   6.3850 23427.23  762.495 23836.18  1080.06 23020.89  1076.61  394.118   8.9785  387.288   9.1077 6.829773 12.78919 
1 1 1    4   17   29 o  149.278   3.5567  3403.85  162.053  3414.75  175.745  3341.99  418.779  149.505   3.8513  147.231   9.3677 2.274750 10.12851 
1 1 1    4   17   30 o  135.508   2.8745  2804.04  118.891  2902.39  156.516  2669.88  182.804  137.836   3.7203  132.167   4.5315 5.668732 5.863053 
1 1 1    4   17   31 o  168.220   4.0117  4323.85  205.979  3727.55  293.791  4900.32  288.867  156.061   6.1678  179.003   5.2871 -22.94200 8.123737 
1 1 1    4   17   32 o  268.480   5.1735 11023.19  423.946 11027.29  465.871 11003.43  1022.56  268.472   5.6852  266.896   12.552 1.576385 13.77994 
1 1 1    4   17   33 o  216.399   4.6398  7158.67  306.455  7545.79  417.833  6707.98  450.832  222.029   6.1656  209.244   7.0590 12.78548 9.372542 
1 1 1    4   17   34 o  261.835   6.3581 10496.40  508.128 10496.40  508.128   0.0000   0.0000  261.835   6.3581  ?   ?  0.000000 6.358102 
1 1 1    4   17   35 o  207.959   5.3373  6615.11  338.781  6858.52  719.606  6545.80  383.998  210.637   11.233  206.796   6.0837 3.840851 12.77506 
1 1 1    4   17   36 o   62.863   4.5809  607.301   87.290  631.342   97.882  513.902  192.928   64.055   5.0474   56.722   11.536 7.333397 12.59233 
1 1 1    4   17   37 o   55.803   5.2491  480.501   88.355  262.024  485.934  487.971   89.853   52.410   20.651   56.234   5.2974 -3.823322 21.31987 
1 1 1    4   17   38 f  163.655   4.7612  4095.23  237.826  4789.44  679.401  3998.28  253.890  175.503   12.771  161.681   5.1448 13.82220 13.76805 
1 1 1    4   17   39 o   56.907   3.5821  496.733   61.901  297.163  270.037  507.802   63.594   45.794   15.854   57.536   3.6401 -11.74149 16.26623 
1 1 1    4   17   40 o  101.077   3.5520  1560.97  109.585  1876.25  158.850  1274.67  151.372  110.768   4.6985   91.105   5.4689 19.66339 7.210030 
1 1 1    4   17   41 f   31.485   11.348  128.502  139.438  136.576  198.095  120.573  196.308   35.157   13.363   34.299   13.237 0.8580132 18.80919 
1 1 1    4   17   42 o  108.908   3.4637  1812.30  115.137  1855.01  167.542  1774.08  158.490  110.112   4.9851  107.692   4.8217 2.419907 6.935435 
1 1 1    4   17   43 o  128.960   2.5444  2539.80  100.150  2609.72  194.275  2514.50  116.877  130.601   4.8736  128.299   2.9846 2.302292 5.714911 
1 1 1    4   17   44 o   69.904   3.6614  748.944   77.849  836.999  122.421  689.160  100.871   73.728   5.4792   66.921   4.9740 6.807510 7.400160 
1 1 1    4   17   45 o   77.070   4.2095  911.176   98.647  938.160  103.113  619.778  338.844   78.194   4.3374   61.680   17.298 16.51409 17.83379 
1 1 1    4   17   46 o  288.406   5.4723 12745.36  481.716 12788.02  503.991 12294.55  1638.46  288.835   5.7168  276.189   19.563 12.64642 20.38103 
1 1 1    4   17   47 o   92.696   2.6923  1312.74   76.172  1603.98  128.048  1153.23   94.763  102.392   4.0972   86.847   3.5749 15.54536 5.437571 
1 1 1    4   17   48 o  161.255   3.1621  3974.88  155.637  5013.62  289.701  3553.45  184.527  180.844   5.2484  152.396   3.9671 28.44862 6.579011 
1 1 1    4   17   49 o  147.558   3.7969  3331.61  171.007  3682.39  280.689  3124.55  215.649  154.837   5.9393  142.768   4.9488 12.06946 7.730797 
1 1 1    4   17   50 o  113.145   4.4847  1961.80  154.878  2073.95  720.604  1956.37  158.585  109.553   22.308  112.976   4.5989 -3.423630 22.77757 
1 1 1    4   17   51 o   47.234   14.192  361.688  221.117  548.410  618.416  334.317  236.769   61.990   23.599   45.996   14.827 15.99367 27.87087 
1 1 1    4   17   52 o   52.816   4.8129  431.774   76.735  263.446  221.168  454.810   81.817   41.829   14.355   54.187   5.0033 -12.35825 15.20216 
1 1 1    4   17   53 o  140.188   5.1553  3022.48  220.588   0.0000   0.0000  3022.48  220.588  ?   ?   140.188   5.1553 0.000000 5.155305 
1 1 1    4   17   54 o   55.220   9.1579  489.485  148.942  510.516  157.570  313.065  456.375   56.319   9.5048   50.418   19.966 5.901115 22.11337 
1 1 1    4   18    1 o  385.193   24.059 23114.19  2814.43   0.0000   0.0000 23114.19  2814.43  ?   ?   385.193   24.059 0.000000 24.05886 
1 1 1    4   18    2 o  505.646   31.081 40274.01  4773.60   0.0000   0.0000 40274.01  4773.60  ?   ?   505.646   31.081 0.000000 31.08075 
1 1 1    4   18    3 o  387.703   24.245 23429.67  2854.61   0.0000   0.0000 23429.67  2854.61  ?   ?   387.703   24.245 0.000000 24.24475 
1 1 1    4   18    4 o  384.763   24.052 23077.21  2810.47   0.0000   0.0000 23077.21  2810.47  ?   ?   384.763   24.052 0.000000 24.05214 
1 1 1    4   18    5 o  322.310   8.7800 15892.07  863.740 12825.85  947.631 30946.05  2099.73  289.381   10.729  448.661   15.333 -159.2807 18.71388 
1 1 1    4   18    6 f  461.340   19.687 32885.33  2772.19 32441.68  3916.53 33330.77  3924.41  454.403   28.381  460.767   28.038 -6.363678 39.89478 
1 1 1    4   18    7 o  262.769   17.436 10689.17  1390.46 10689.17  1390.46   0.0000   0.0000  262.769   17.436  ?   ?  0.000000 17.43574 
1 1 1    4   18    8 o  271.030   17.864 11381.08  1469.51 11381.08  1469.51   0.0000   0.0000  271.030   17.864  ?   ?  0.000000 17.86410 
1 1 1    4   18    9 o   97.895   4.2891  1463.50  128.156  1485.60  135.615  1279.00  391.842   98.628   4.5050   90.047   14.769 8.581169 15.44092 
1 1 1    4   18   10 o  309.366   8.9138 14649.54  841.689 14649.54  841.689   0.0000   0.0000  309.366   8.9138  ?   ?  0.000000 8.913796 
1 1 1    4   18   11 o   57.990   11.233  533.212  191.637  473.923  243.859  628.953  309.885   54.537   14.427   62.699   16.107 -8.162128 21.62360 
1 1 1    4   18   12 o  246.685   11.724  9339.64  882.768  9574.39  1243.60  9101.20  1253.30  248.556   16.486  242.176   17.065 6.379822 23.72721 
1 1 1    4   18   13 o  374.957   13.326 21621.71  1525.11 22074.44  2640.51 21395.08  1868.25  375.305   23.164  372.243   16.443 3.062378 28.40697 
1 1 1    4   18   14 o  260.493   9.9360 10402.48  789.998 10550.14  1366.47 10328.35  968.201  260.606   17.277  259.263   12.235 1.342438 21.17057 
1 1 1    4   18   15 o  243.762   11.677  9127.50  868.815 10403.57  1227.01  7844.42  1230.38  259.137   15.586  224.260   18.130 34.87695 23.90846 
1 1 1    4   18   16 o  318.249   14.171 15612.97  1376.56 14374.25  1944.01 16858.72  1949.52  302.819   21.166  328.686   19.520 -25.86710 28.79296 
1 1 1    4   18   17 o   33.898   13.842   64.675  226.648   0.0000   0.0000   64.675  226.648  ?   ?    33.898   13.842 0.000000 13.84170 
1 1 1    4   18   21 o  216.333   15.255  7276.35  1000.85   0.0000   0.0000  7276.35  1000.85  ?   ?   216.333   15.255 0.000000 15.25537 
1 1 1    4   18   22 o  373.097   10.518 21389.58  1197.75   0.0000   0.0000 21389.58  1197.75  ?   ?   373.097   10.518 0.000000 10.51787 
1 1 1    4   18   23 o  133.702   3.5933  2730.38  146.641  2711.69  230.470  2743.10  190.080  133.161   5.6705  133.976   4.6483 -0.8143463 7.332174 
1 1 1    4   18   24 o  201.117   4.1420  6179.88  254.262  6417.92  363.757  5952.46  355.546  204.841   5.8180  197.266   5.9051 7.574585 8.289730 
1 1 1    4   18   25 o  208.165   3.7368  6619.38  237.426  6677.51  301.792  6524.98  384.615  209.017   4.7305  206.511   6.1019 2.505997 7.720829 
1 1 1    4   18   26 o  243.084   4.8298  9032.67  358.344  8789.51  532.110  9234.47  484.745  239.539   7.2779  245.624   6.4658 -6.085083 9.735269 
1 1 1    4   18   27 o   97.347   3.2321  1447.33   96.035  1372.70  153.582  1495.24  123.062   94.592   5.3413   98.923   4.0758 -4.331184 6.718724 
1 1 1    4   18   28 o  154.391   4.3637  3642.96  205.633  3563.25  251.150  3805.06  358.167  152.636   5.3909  157.574   7.4470 -4.938278 9.193477 
1 1 1    4   18   29 o  445.899   9.0612 30535.12  1233.22 31473.60  1431.95 27840.48  2426.43  452.258   10.373  421.374   18.866 30.88351 21.52995 
1 1 1    4   18   30 o  202.616   4.2676  6274.16  263.919  6263.87  361.781  6285.86  385.856  202.322   5.8585  202.640   6.2385 -0.3183289 8.558097 
1 1 1    4   18   31 o  267.287   6.1081 10935.39  498.313 10832.32  566.914 11285.60  1045.04  265.904   6.9852  270.213   12.671 -4.309540 14.46876 
1 1 1    4   18   32 f  201.935   4.6237  6233.92  284.983  6177.07  299.368  6783.11  930.511  200.993   4.8799  208.517   14.715 -7.524551 15.50299 
1 1 1    4   18   33 o  130.962   3.9090  2620.69  156.251  2620.69  156.251   0.0000   0.0000  130.962   3.9090  ?   ?  0.000000 3.908959 
1 1 1    4   18   34 o  187.723   5.4719  5391.19  313.523  5424.56  340.850  5207.76  799.138  188.262   5.9318  182.628   14.454 5.633835 15.62418 
1 1 1    4   18   35 f  295.459   4.3224 13343.10  389.797 13633.01  553.234 13057.29  549.299  298.426   6.0737  292.044   6.1623 6.382324 8.652408 
1 1 1    4   18   36 o  358.507   13.000 19896.73  1422.48 20899.78  2459.11 19392.32  1743.83  361.832   22.376  352.551   16.206 9.280640 27.62839 
1 1 1    4   18   37 o  330.033   7.8804 16713.29  793.821   0.0000   0.0000 16713.29  793.821  ?   ?   330.033   7.8804 0.000000 7.880400 
1 1 1    4   18   38 o   23.395   6.3731   86.534   46.743   42.825   80.424  108.831   57.442   21.588   8.4327   26.202   7.0346 -4.613958 10.98162 
1 1 1    4   18   39 f   31.714   5.7251  158.691   53.380  166.727   66.361  143.959   89.848   32.367   6.9266   30.398   9.0274 1.968699 11.37852 
1 1 1    4   18   40 o   76.788   3.0659  900.706   71.856  938.270   90.779  837.682  117.585   78.353   3.7959   73.800   5.2544 4.552910 6.482079 
1 1 1    4   18   41 o   58.099   2.8817  515.588   51.101  523.693   88.494  511.533   62.590   58.287   5.0233   57.746   3.5686 0.5405502 6.161876 
1 1 1    4   18   42 o   55.541   3.8308  473.788   64.543  420.231  101.897  509.674   83.409   51.940   6.5748   57.517   4.7949 -5.576824 8.137454 
1 1 1    4   18   43 o  231.144   4.6646  8175.26  329.087  8015.34  480.728  8316.29  451.449  228.515   6.8924  232.867   6.3516 -4.351410 9.372704 
1 1 1    4   18   44 o  192.001   3.7309  5636.25  218.645  5788.20  273.744  5368.49  363.380  194.479   4.6116  187.059   6.3645 7.419449 7.859652 
1 1 1    4   18   45 o  255.942   4.0670 10020.67  317.714 10390.89  397.810  9368.60  527.955  260.470   5.0038  246.902   7.0057 13.56705 8.609221 
1 1 1    4   18   46 o  216.575   3.8080  7174.48  251.724  7527.03  316.735  6570.00  414.739  221.704   4.6806  206.788   6.5710 14.91656 8.067637 
1 1 1    4   18   47 o  310.535   6.3923 14820.92  605.874 15175.44  747.550 14142.22  1034.33  313.685   7.8078  301.126   11.254 12.55872 13.69692 
1 1 1    4   18   48 o  270.276   6.1119 11228.74  504.198 11555.27  1569.31 11191.16  532.427  264.987   19.541  269.707   6.4677 -4.720917 20.58337 
1 1 1    4   18   49 o   76.910   4.5305  909.879  105.883  1154.16  730.856  904.642  107.012   80.729   26.053   76.680   4.5935 4.049095 26.45533 
1 1 1    4   18   50 o  100.064   2.4816  1530.38   75.792  1708.55  175.393  1489.46   84.044  105.282   5.4770   98.698   2.7899 6.583954 6.146649 
1 1 1    4   18   51 o   41.993   4.4542  273.571   56.218  409.060  220.326  264.135   58.143   49.705   13.952   41.214   4.7064 8.490253 14.72437 
1 1 1    4   18   52 o   82.691   6.3430  1062.24  158.870   0.0000   0.0000  1062.24  158.870  ?   ?    82.691   6.3430 0.000000 6.342957 
1 1 1    4   18   53 o   90.260   5.8403  1262.49  160.033  1265.97  166.759  1221.91  569.237   90.327   6.0841   81.469   22.260 8.857140 23.07610 
1 1 1    4   19    0 o  470.998   29.108 34766.82  4147.86 34766.82  4147.86 34766.82  4147.86  470.998   29.108  470.998   29.108 0.000000 0.000000 
1 1 1    4   19    1 o  362.427   22.920 20562.15  2522.33 20562.15  2522.33   0.0000   0.0000  362.427   22.920  ?   ?  0.000000 22.91962 
1 1 1    4   19    2 o  246.904   16.798  9455.70  1258.40  9455.70  1258.40   0.0000   0.0000  246.904   16.798  ?   ?  0.000000 16.79816 
1 1 1    4   19    3 o  323.437   9.2657 16023.10  914.712 16023.10  914.712   0.0000   0.0000  323.437   9.2657  ?   ?  0.000000 9.265687 
1 1 1    4   19    4 o  316.569   20.470 15631.85  1967.31 15631.85  1967.31   0.0000   0.0000  316.569   20.470  ?   ?  0.000000 20.47010 
1 1 1    4   19    5 o  235.751   16.459  8623.15  1176.90  8623.15  1176.90   0.0000   0.0000  235.751   16.459  ?   ?  0.000000 16.45895 
1 1 1    4   19    6 o  163.362   12.932  4128.37  639.547  4128.37  639.547   0.0000   0.0000  163.362   12.932  ?   ?  0.000000 12.93208 
1 1 1    4   19    7 o  179.676   5.9453  4934.85  326.050  4934.85  326.050   0.0000   0.0000  179.676   5.9453  ?   ?  0.000000 5.945336 
1 1 1    4   19    8 o  439.147   12.180 29637.50  1632.59 29637.50  1632.59   0.0000   0.0000  439.147   12.180  ?   ?  0.000000 12.18010 
1 1 1    4   19    9 o  280.176   18.426 12226.89  1566.90 12226.89  1566.90   0.0000   0.0000  280.176   18.426  ?   ?  0.000000 18.42568 
1 1 1    4   19   10 o   91.510   9.2868  1296.54  255.795  1171.60  314.537  1540.54  439.570   86.454   12.264   98.826   15.048 -12.37244 19.41208 
1 1 1    4   19   11 o   86.848   8.9490  1167.96  233.824  1213.98  307.467  1104.84  360.087   88.119   11.723   83.435   14.676 4.684769 18.78276 
1 1 1    4   19   12 o  254.210   17.118 10058.48  1320.50 10058.48  1320.50   0.0000   0.0000  254.210   17.118  ?   ?  0.000000 17.11846 
1 1 1    4   19   13 o  295.330   19.299 13635.43  1730.10 13635.43  1730.10   0.0000   0.0000  295.330   19.299  ?   ?  0.000000 19.29929 
1 1 1    4   19   14 o  307.516   19.983 14812.24  1865.41 14812.24  1865.41   0.0000   0.0000  307.516   19.983  ?   ?  0.000000 19.98256 
1 1 1    4   19   15 o  150.789   12.733  3526.48  580.557  3526.48  580.557   0.0000   0.0000  150.789   12.733  ?   ?  0.000000 12.73320 
1 1 1    4   19   16 o  315.249   14.169 15346.14  1363.36 15003.93  1929.07 15687.64  1927.09  309.093   20.565  316.297   20.065 -7.203217 28.73202 
1 1 1    4   19   17 o  127.968   8.3111  2520.03  322.865  3615.60  464.048  1492.08  449.501  153.140   9.9825   96.973   15.725 56.16743 18.62619 
1 1 1    4   19   18 o  318.899   14.293 15717.04  1391.21   0.0000   0.0000 15717.04  1391.21  ?   ?   318.899   14.293 0.000000 14.29294 
1 1 1    4   19   19 o  209.650   6.6044  6726.43  422.613   0.0000   0.0000  6726.43  422.613  ?   ?   209.650   6.6044 0.000000 6.604366 
1 1 1    4   19   20 o  301.665   19.719 14298.20  1805.61   0.0000   0.0000 14298.20  1805.61  ?   ?   301.665   19.719 0.000000 19.71877 
1 1 1    4   19   21 o   32.954   13.050   91.150  194.939   0.0000   0.0000   91.150  194.939  ?   ?    32.954   13.050 0.000000 13.04969 
1 1 1    4   19   22 o  235.122   16.252  8630.14  1159.13   0.0000   0.0000  8630.14  1159.13  ?   ?   235.122   16.252 0.000000 16.25154 
1 1 1    4   19   23 o  249.384   5.0569  9508.61  384.918  9394.94  423.582 10047.35  922.179  247.837   5.5996  255.309   11.834 -7.472137 13.09191 
1 1 1    4   19   24 o  109.780   4.0364  1841.41  135.248  1833.31  155.803  1866.19  272.432  109.516   4.6610  110.013   8.1717 -0.4969711 9.407510 
1 1 1    4   19   25 o  240.712   5.8695  8865.65  431.235  8798.96  501.024  9056.27  847.054  239.692   6.8484  242.404   11.449 -2.712402 13.34059 
1 1 1    4   19   26 o  157.061   3.6386  3768.52  174.432  3811.72  264.325  3735.20  232.162  157.856   5.4860  156.302   4.8664 1.553925 7.333385 
1 1 1    4   19   27 o  130.622   2.8952  2605.60  115.429  2583.16  153.187  2635.07  175.575  130.025   3.8599  131.303   4.3810 -1.277695 5.838832 
1 1 1    4   19   28 o  140.962   2.4225  3033.84  104.229  3170.97  170.159  2951.49  131.862  144.059   3.8699  139.014   3.1077 5.045425 4.963257 
1 1 1    4   19   29 o   97.117   3.2475  1440.62   96.264  1497.62  142.539  1392.82  130.529   98.973   4.7185   95.455   4.4801 3.517349 6.506579 
1 1 1    4   19   30 o  109.803   4.2122  1842.69  141.169  1982.40  361.603  1817.57  153.337  112.968   10.612  109.037   4.6074 3.930977 11.56867 
1 1 1    4   19   31 o  197.947   5.5401  5994.95  334.722  5901.00  668.790  6026.34  386.629  195.304   11.267  198.383   6.3852 -3.079361 12.95056 
1 1 1    4   19   32 o  176.317   3.2624  4748.53  175.567  5472.34  296.263  4356.76  217.962  189.155   5.1315  168.836   4.2296 20.31883 6.649932 
1 1 1    4   19   33 o  171.896   3.3510  4513.67  175.817  4432.23  225.814  4639.03  280.172  170.283   4.3447  174.145   5.2711 -3.862015 6.830859 
1 1 1    4   19   34 o   90.280   9.7783  1268.43  265.139   0.0000   0.0000  1268.43  265.139  ?   ?    90.280   9.7783 0.000000 9.778291 
1 1 1    4   19   35 o   69.505   18.359  786.401  395.290   0.0000   0.0000  786.401  395.290  ?   ?    69.505   18.359 0.000000 18.35934 
1 1 1    4   19   36 o   79.645   4.9146  973.884  118.886  988.672  124.287  814.742  407.734   80.231   5.1019   70.672   18.636 9.558830 19.32153 
1 1 1    4   19   37 o  242.662   4.0870  9000.92  302.711  9229.54  476.684  8846.42  391.866  245.444   6.3630  240.434   5.3398 5.010071 8.306696 
1 1 1    4   19   38 o  280.003   4.3276 11987.58  369.854 11941.15  474.786 12059.24  589.845  279.287   5.5697  280.432   6.8912 -1.145172 8.860567 
1 1 1    4   19   39 o  164.197   3.0637  4118.63  153.543  4221.28  199.895  3970.92  239.796  166.176   3.9411  161.102   4.8767 5.074005 6.270090 
1 1 1    4   19   40 o  118.671   3.4832  2152.15  126.167  2479.27  200.696  1938.41  162.233  127.266   5.1667  112.559   4.7221 14.70677 6.999502 
1 1 1    4   19   41 o  317.900   5.3891 15477.12  522.908 15715.67  571.047 14238.50  1301.22  320.242   5.8422  301.831   14.124 18.41107 15.28491 
1 1 1    4   19   42 o  186.638   3.6059  5325.03  205.418  5461.38  252.404  5057.56  353.509  188.938   4.3768  181.565   6.3790 7.372437 7.736149 
1 1 1    4   19   43 o   70.332   4.1124  759.266   87.896  691.620  154.459  791.662  106.890   66.602   7.7426   71.736   4.9114 -5.133568 9.168931 
1 1 1    4   19   44 o   54.224   2.8357  450.496   46.769  574.257   93.639  409.360   53.986   61.014   5.0742   51.630   3.4455 9.383690 6.133455 
1 1 1    4   19   45 o  115.442   3.3430  2037.65  117.793  2336.32  185.197  1834.73  152.649  123.479   4.9139  109.454   4.5692 14.02491 6.709988 
1 1 1    4   19   46 o  122.622   7.3570  2325.86  274.078  2252.88  851.510  2334.29  289.483  113.155   25.291  122.751   7.7665 -9.596016 26.45633 
1 1 1    4   19   47 o   45.172   11.894  332.065  166.250  477.607  749.852  324.541  170.493   63.536   25.452   44.693   12.170 18.84313 28.21159 
1 1 1    4   19   48 o   70.021   3.5277  752.307   75.152  834.322  157.842  728.265   85.461   73.164   7.1600   68.825   4.0865 4.338600 8.244060 
1 1 1    4   19   49 o   63.943   5.8500  634.686  112.909  368.471  248.798  703.733  126.708   47.818   15.177   67.284   6.2409 -19.46660 16.40993 
1 1 1    4   19   50 o   78.165   5.6532  945.844  133.962  960.347  298.197  942.177  149.945   76.459   13.258   77.865   6.3648 -1.405731 14.70697 
1 1 1    4   19   51 o   46.704   9.3134  353.357  128.108   0.0000   0.0000  353.357  128.108  ?   ?    46.704   9.3134 0.000000 9.313436 
1 1 1    4   19   52 o  102.320   4.9293  1611.27  153.945  1384.73  309.195  1685.93  177.511   92.692   11.153  104.394   5.5913 -11.70198 12.47572 
1 1 1    4   20    0 o  272.209   18.181 11546.33  1495.07 11546.33  1495.07 11546.33  1495.07  272.209   18.181  272.209   18.181 0.000000 0.000000 
1 1 1    4   20    1 o  276.147   12.697 11739.61  1070.20 13012.90  1514.17 10468.61  1512.81  289.195   17.232  258.629   19.303 30.56558 25.87592 
1 1 1    4   20    2 o  180.562   9.6516  5014.86  529.987  6668.20  751.703  3380.62  747.347  207.898   11.896  146.750   17.000 61.14886 20.74852 
1 1 1    4   20    3 o  213.776   10.796  7036.49  702.127  7259.43  987.515  6808.56  998.492  216.257   15.055  209.233   15.751 7.024033 21.78818 
1 1 1    4   20    4 f  144.645   9.0115  3219.52  395.870  4710.72  565.390  1785.43  554.459  174.826   10.646  105.874   17.789 68.95192 20.73112 
1 1 1    4   20    5 o  169.024   5.8150  4368.20  299.995  4368.20  299.995   0.0000   0.0000  169.024   5.8150  ?   ?  0.000000 5.814987 
1 1 1    4   20    6 o  213.925   10.870  7048.31  707.400  6559.98  994.643  7548.14  1006.29  205.257   16.003  220.501   15.042 -15.24464 21.96228 
1 1 1    4   20    7 o  228.274   11.309  8010.44  787.975  8017.51  1109.02  8003.23  1119.79  226.987   16.112  226.735   16.289 0.2515106 22.91164 
1 1 1    4   20    8 o  278.975   18.401 12158.73  1558.06 12158.73  1558.06   0.0000   0.0000  278.975   18.401  ?   ?  0.000000 18.40118 
1 1 1    4   20    9 f  515.490   32.648 43221.65  5110.24 43221.65  5110.24   0.0000   0.0000  515.490   32.648  ?   ?  0.000000 32.64775 
1 1 1    4   20   10 o  219.933   15.456  7521.96  1030.98  7521.96  1030.98   0.0000   0.0000  219.933   15.456  ?   ?  0.000000 15.45640 
1 1 1    4   20   11 o   87.419   11.909  1197.38  309.496  1197.38  309.496   0.0000   0.0000   87.419   11.909  ?   ?  0.000000 11.90923 
1 1 1    4   20   12 o  177.499   5.2601  4816.38  284.974  5070.40  309.831  3421.20  726.125  182.101   5.5744  147.647   16.389 34.45346 17.31129 
1 1 1    4   20   13 f  192.240   5.7372  5651.62  336.634  5608.55  367.159  5878.78  843.264  191.467   6.2826  194.517   14.304 -3.049545 15.62261 
1 1 1    4   20   14 o  224.724   6.2536  7726.36  428.943  7827.50  469.754  7218.96  1052.14  226.138   6.8058  215.128   16.141 11.01080 17.51741 
1 1 1    4   20   15 o  291.177   7.2403 12983.43  643.472 12746.76  764.742 13557.28  1190.79  288.293   8.6909  296.375   13.164 -8.081848 15.77380 
1 1 1    4   20   16 o  173.803   9.5545  4651.96  504.906   0.0000   0.0000  4651.96  504.906  ?   ?   173.803   9.5545 0.000000 9.554463 
1 1 1    4   20   17 o  281.874   12.916 12263.99  1111.23   0.0000   0.0000 12263.99  1111.23  ?   ?   281.874   12.916 0.000000 12.91610 
1 1 1    4   20   18 o  252.700   11.892  9842.00  917.197   0.0000   0.0000  9842.00  917.197  ?   ?   252.700   11.892 0.000000 11.89160 
1 1 1    4   20   19 o   71.927   9.3672  807.642  200.765  873.055  292.729  749.547  275.870   74.051   13.447   68.448   13.683 5.602463 19.18434 
1 1 1    4   20   20 o  284.130   12.964 12472.61  1124.26 13224.68  1594.28 11728.69  1585.62  290.382   18.077  272.948   19.154 17.43408 26.33771 
1 1 1    4   20   21 o  208.726   6.5897  6670.53  419.816   0.0000   0.0000  6670.53  419.816  ?   ?   208.726   6.5897 0.000000 6.589686 
1 1 1    4   20   22 o  191.311   14.255  5702.75  826.397   0.0000   0.0000  5702.75  826.397  ?   ?   191.311   14.255 0.000000 14.25479 
1 1 1    4   20   23 o  255.773   17.357 10263.64  1346.98   0.0000   0.0000 10263.64  1346.98  ?   ?   255.773   17.357 0.000000 17.35670 
1 1 1    4   20   24 o   86.714   7.9762  1162.97  208.739  882.912  566.250  1207.02  224.553   74.284   22.795   88.286   8.4359 -14.00196 24.30607 
1 1 1    4   20   25 o  147.665   4.1972  3332.44  189.170  3508.47  219.402  2822.47  373.441  151.485   4.7452  135.241   9.0998 16.24397 10.26270 
1 1 1    4   20   26 o  196.287   5.4559  5894.30  326.873  6102.70  877.731  5860.75  352.207  197.721   14.648  195.688   5.8968 2.033905 15.79078 
1 1 1    4   20   27 o   21.686   8.2581   49.956   75.739  106.271  248.032   44.165   79.538   36.669   14.656   21.607   8.4011 15.06200 16.89319 
1 1 1    4   20   28 o  389.729   7.1560 23279.12  851.240 23318.12  936.283 23093.21  2044.16  389.882   7.8679  384.151   17.434 5.730377 19.12710 
1 1 1    4   20   29 o  217.545   4.5786  7235.19  304.019  7311.75  319.680  6510.75  983.377  218.675   4.7896  203.803   15.935 14.87204 16.63963 
1 1 1    4   20   30 o   79.549   7.4824  978.784  179.540  751.382  312.122  1091.24  219.488   68.182   15.366   83.849   8.7030 -15.66678 17.65955 
1 1 1    4   20   31 o  178.980   7.8737  4914.88  430.133  5371.94  770.116  4707.64  518.554  185.643   13.688  174.651   9.7668 10.99260 16.81505 
1 1 1    4   20   32 o  340.559   9.3528 17836.59  972.187   0.0000   0.0000 17836.59  972.187  ?   ?   340.559   9.3528 0.000000 9.352767 
1 1 1    4   20   33 o  153.153   9.6793  3624.10  450.138   0.0000   0.0000  3624.10  450.138  ?   ?   153.153   9.6793 0.000000 9.679284 
1 1 1    4   20   34 o  209.101   4.5650  6685.76  291.348  6558.98  994.048  6697.68  304.731  204.258   16.074  209.269   4.7708 -5.010468 16.76744 
1 1 1    4   20   35 o  121.581   4.8852  2261.19  181.286  2213.24  191.414  2678.67  564.805  120.266   5.2145  130.414   14.431 -10.14835 15.34423 
1 1 1    4   20   36 o  131.208   2.9536  2629.63  118.286  3005.32  202.493  2435.03  145.736  140.169   4.7330  126.223   3.7828 13.94588 6.058959 
1 1 1    4   20   37 o  266.857   6.2270 10913.39  507.196 11180.35  591.381 10170.82  986.301  269.916   7.1783  255.962   12.625 13.95345 14.52267 
1 1 1    4   20   38 o  129.847   3.0048  2575.72  119.089  2741.45  159.134  2364.77  179.541  133.912   3.8934  124.321   4.7315 9.590897 6.127436 
1 1 1    4   20   39 o  112.632   3.1322  1938.35  107.678  1955.37  139.202  1912.98  169.907  113.082   4.0331  111.791   4.9795 1.290413 6.407901 
1 1 1    4   20   40 o  231.739   5.9155  8233.01  418.416  8233.01  418.416   0.0000   0.0000  231.739   5.9155  ?   ?  0.000000 5.915515 
1 1 1    4   20   41 o  267.181   6.1218 10951.48  499.234 11126.40  567.206 10350.05  1051.75  269.115   6.9054  256.855   13.462 12.25946 15.13002 
1 1 1    4   20   42 o   85.150   3.6708  1108.77   95.404  1203.41  125.350  978.464  147.085   88.533   4.6551   79.618   6.0990 8.915421 7.672518 
1 1 1    4   20   43 o  140.544   4.4814  3024.53  192.241  4198.98  513.046  2832.70  207.347  164.133   10.293  135.960   4.9966 28.17337 11.44176 
1 1 1    4   20   44 o  164.189   4.6027  4130.02  230.660  5155.84  971.688  4068.76  237.447  177.774   18.163  162.943   4.7743 14.83101 18.77988 
1 1 1    4   20   45 o   97.622   4.1116  1459.38  122.510  1721.63  788.784  1452.89  124.015   97.916   25.968   97.400   4.1716 0.5162277 26.30122 
1 1 1    4   20   46 o  187.762   3.2732  5393.32  187.582  5717.77  617.020  5360.28  196.901  190.854   10.634  187.161   3.4468 3.693130 11.17895 
1 1 1    4   20   47 o  200.425   3.4791  6149.25  212.831  5994.86  361.692  6231.02  263.227  197.296   6.0062  201.595   4.2779 -4.299347 7.373987 
1 1 1    4   20   48 o  144.458   4.9533  3206.73  218.400  2661.24  515.937  3325.81  241.064  128.273   13.375  147.027   5.3718 -18.75386 14.41295 
1 1 1    4   20   49 o  116.705   4.7609  2093.20  169.588  1627.40  393.871  2199.20  187.897   99.859   13.250  119.553   5.1492 -19.69415 14.21515 
1 1 1    4   20   50 o   72.052   4.5092  800.783   98.667  819.799  148.118  785.614  132.292   72.430   6.7789   71.036   6.1626 1.393265 9.161344 
1 1 1    4   21    0 o  103.729   13.075  1725.86  396.094  1725.86  396.094  1725.86  396.094  103.729   13.075  103.729   13.075 0.000000 0.000000 
1 1 1    4   21    1 o  125.861   8.7260  2440.66  333.145  2102.41  468.282  2787.28  474.045  115.953   13.483  134.067   11.702 -18.11417 17.85308 
1 1 1    4   21    2 o  165.121   9.3690  4197.33  470.240  4367.28  664.384  4026.74  665.658  167.766   13.078  160.923   13.682 6.842850 18.92722 
1 1 1    4   21    3 o  170.301   9.4836  4465.06  490.999  3820.77  693.308  5113.35  695.453  156.496   14.686  181.702   12.618 -25.20563 19.36249 
1 1 1    4   21    4 o  262.300   12.398 10603.25  992.567 11721.88  1401.38  9477.19  1406.03  274.180   16.827  245.731   18.891 28.44936 25.29868 
1 1 1    4   21    5 o  179.875   14.280  5032.77  777.528  5032.77  777.528   0.0000   0.0000  179.875   14.280  ?   ?  0.000000 14.27954 
1 1 1    4   21    6 o  177.515   14.190  4901.74  762.386  4901.74  762.386   0.0000   0.0000  177.515   14.190  ?   ?  0.000000 14.18954 
1 1 1    4   21    7 o   73.553   5.0810  830.965  113.371  830.965  113.371   0.0000   0.0000   73.553   5.0810  ?   ?  0.000000 5.081046 
1 1 1    4   21    8 o  493.743   13.649 37663.94  2056.88 37663.94  2056.88   0.0000   0.0000  493.743   13.649  ?   ?  0.000000 13.64872 
1 1 1    4   21    9 o  114.779   4.5093  2013.29  157.974  2079.19  166.347  1407.70  504.295  116.637   4.6726   93.463   18.333 23.17346 18.91885 
1 1 1    4   21   10 o  188.555   5.6839  5437.74  327.117  5398.31  354.028  5667.96  855.373  187.833   6.1752  190.749   14.808 -2.916046 16.04389 
1 1 1    4   21   11 o  258.085   17.306 10418.92  1355.39 10418.92  1355.39   0.0000   0.0000  258.085   17.306  ?   ?  0.000000 17.30635 
1 1 1    4   21   12 o  188.670   9.8141  5483.62  563.208  5128.07  763.296  5908.55  834.443  181.577   13.878  194.916   14.122 -13.33905 19.79931 
1 1 1    4   21   13 o  211.410   15.142  6966.00  970.588   0.0000   0.0000  6966.00  970.588  ?   ?   211.410   15.142 0.000000 15.14182 
1 1 1    4   21   14 o  333.354   21.590 17597.73  2184.90   0.0000   0.0000 17597.73  2184.90  ?   ?   333.354   21.590 0.000000 21.58977 
1 1 1    4   21   15 o  352.924   15.666 19353.47  1687.52   0.0000   0.0000 19353.47  1687.52  ?   ?   352.924   15.666 0.000000 15.66575 
1 1 1    4   21   16 o  205.979   5.5410  6489.85  348.358  6503.94  411.033  6453.92  656.331  206.109   6.5337  204.524   10.550 1.585602 12.40919 
1 1 1    4   21   17 o  168.151   4.9573  4323.17  254.423  4260.38  299.159  4487.31  483.659  166.861   5.8739  170.657   9.3206 -3.795349 11.01712 
1 1 1    4   21   18 o  163.083   4.8568  4066.32  241.756  4029.61  284.353  4162.06  459.209  162.285   5.7407  164.350   9.1911 -2.064072 10.83660 
1 1 1    4   21   19 o  257.796   6.7416 10178.99  530.460  9808.12  630.453 11077.98  981.567  252.842   8.1693  267.894   12.004 -15.05141 14.52043 
1 1 1    4   21   20 o  161.219   9.2174  4006.60  451.686  4288.01  644.091  3734.29  633.600  166.052   12.807  154.716   13.554 11.33546 18.64756 
1 1 1    4   21   21 o  172.452   9.3482  4584.19  490.217  5527.39  701.332  3683.13  685.482  188.777   12.238  153.299   14.836 35.47717 19.23172 
1 1 1    4   21   22 o  129.360   4.3226  2557.75  170.670  2465.11  485.905  2570.78  182.284  125.609   12.855  129.676   4.6055 -4.066803 13.65523 
1 1 1    4   21   23 o  144.880   5.3123  3210.91  234.914   0.0000   0.0000  3210.91  234.914  ?   ?   144.880   5.3123 0.000000 5.312312 
1 1 1    4   21   24 o  170.821   5.8099  4465.87  302.918   0.0000   0.0000  4465.87  302.918  ?   ?   170.821   5.8099 0.000000 5.809859 
1 1 1    4   21   25 o  132.862   4.9124  2699.46  199.211  2719.97  712.621  2697.73  207.483  130.472   18.406  132.808   5.1185 -2.335556 19.10443 
1 1 1    4   21   26 o  184.688   4.4377  5214.29  250.161  5214.29  365.659  5214.29  342.989  184.512   6.4928  184.552   6.0890 -0.3990173E-01 8.901275 
1 1 1    4   21   27 o  186.938   4.1658  5341.06  237.693  4942.73  345.070  5700.71  327.884  179.660   6.2927  193.016   5.5656 -13.35568 8.400823 
1 1 1    4   21   28 f  255.331   5.0577  9971.53  394.164 10411.30  586.565  9609.44  532.249  260.575   7.3751  250.403   6.9640 10.17166 10.14340 
1 1 1    4   21   29 o  236.617   5.0416  8563.62  364.111  9197.27  516.665  7938.41  513.213  244.973   6.9099  227.522   7.3902 17.45076 10.11743 
1 1 1    4   21   30 o   88.139   12.708  1226.51  332.001   0.0000   0.0000  1226.51  332.001  ?   ?    88.139   12.708 0.000000 12.70840 
1 1 1    4   21   31 o  233.433   5.0464  8335.80  359.553   0.0000   0.0000  8335.80  359.553  ?   ?   233.433   5.0464 0.000000 5.046419 
1 1 1    4   21   32 o  182.185   4.9988  5077.64  277.969  5168.89  319.210  4791.34  565.401  183.749   5.6916  175.929   10.579 7.819809 12.01249 
1 1 1    4   21   33 o  133.888   2.6502  2737.66  108.304  2906.47  211.716  2677.83  126.044  137.827   5.0327  132.399   3.1190 5.428024 5.920850 
1 1 1    4   21   34 o   60.550   4.7043  564.188   86.259  656.196  344.190  558.022   89.103   63.526   17.289   60.195   4.8920 3.330524 17.96777 
1 1 1    4   21   35 f  143.413   4.6719  3146.41  204.503  3279.12  528.557  3123.05  221.775  144.943   12.057  142.848   5.0865 2.095596 13.08593 
1 1 1    4   21   36 o  185.552   5.3101  5271.67  300.737  5361.23  327.544  4790.76  759.013  187.070   5.7365  174.530   14.376 12.53973 15.47841 
1 1 1    4   21   37 o   77.860   5.3178  932.686  125.620  932.686  125.620   0.0000   0.0000   77.860   5.3178  ?   ?  0.000000 5.317791 
1 1 1    4   21   38 o  128.768   12.108  2600.91  470.288  2600.91  470.288   0.0000   0.0000  128.768   12.108  ?   ?  0.000000 12.10786 
1 1 1    4   21   39 o  124.865   4.5369  2386.37  172.909  2407.94  182.200  2190.85  548.485  125.410   4.7599  116.825   15.786 8.584671 16.48822 
1 1 1    4   21   40 o  182.454   3.5205  5090.01  196.053  5011.97  326.227  5134.14  245.291  180.738   5.9136  183.147   4.3880 -2.409012 7.363771 
1 1 1    4   21   41 o  127.951   2.5434  2501.17   99.331  2609.41  195.203  2463.35  115.386  130.500   4.9007  126.955   2.9778 3.545311 5.734454 
1 1 1    4   21   42 o  120.828   3.1689  2232.10  116.867  2426.65  177.529  2083.32  155.252  125.854   4.6215  116.636   4.3610 9.217827 6.354310 
1 1 1    4   21   43 o  162.751   6.3263  4074.95  314.259  4513.35  537.551  3847.32  387.347  169.826   10.421  157.544   8.0825 12.28107 13.18791 
1 1 1    4   21   44 o   99.884   5.0323  1535.03  152.925  2086.25  363.967  1416.86  168.522  115.072   10.478   95.824   5.7891 19.24869 11.97047 
1 1 1    4   21   45 o  103.099   3.0800  1626.03   96.922  1739.30  190.547  1586.49  112.572  106.134   5.9054  101.792   3.6233 4.342224 6.928352 
1 1 1    4   21   46 o   75.743   5.2175  886.232  119.885  1185.01  319.542  837.286  129.332   85.455   12.632   73.504   5.8122 11.95171 13.90469 
1 1 1    4   21   47 o   75.756   21.852  1035.93  533.198   0.0000   0.0000  1035.93  533.198  ?   ?    75.756   21.852 0.000000 21.85240 
1 1 1    4   21   48 o  127.149   17.634  2756.37  665.944   0.0000   0.0000  2756.37  665.944  ?   ?   127.149   17.634 0.000000 17.63445 
1 1 1    4   22    0 o   84.320   14.796  1186.29  345.739  1186.29  345.739  1186.29  345.739   84.320   14.796   84.320   14.796 0.000000 0.000000 
1 1 1    4   22    1 o  128.379   9.2762  2543.80  361.033  678.998  516.031  4331.81  505.295   66.696   21.916  167.593   9.9222 -100.8978 24.05748 
1 1 1    4   22    2 o  272.057   12.575 11425.13  1044.20 10362.42  1475.08 12492.58  1478.37  256.604   18.968  282.594   17.222 -25.99063 25.61995 
1 1 1    4   22    3 o  274.305   12.469 11612.88  1043.94 14277.37  1479.36  8970.00  1473.35  302.630   16.073  238.035   20.478 64.59500 26.03302 
1 1 1    4   22    4 o  219.988   10.654  7446.87  715.388  8894.05  1018.20  6036.00  1005.35  239.309   14.001  196.138   16.960 43.17168 21.99253 
1 1 1    4   22    5 o  252.211   12.107  9812.28  931.997 10698.01  1315.73  8920.29  1320.37  261.646   16.561  238.201   18.301 23.44487 24.68147 
1 1 1    4   22    6 o  188.509   10.439  5483.19  598.278  6489.15  839.874  4446.88  852.451  204.393   13.539  168.159   16.835 36.23387 21.60375 
1 1 1    4   22    7 o  228.534   16.276  8166.48  1127.88  8166.48  1127.88   0.0000   0.0000  228.534   16.276  ?   ?  0.000000 16.27584 
1 1 1    4   22    8 o  364.802   16.171 20709.72  1800.56 20150.11  2544.59 21270.91  2548.17  355.305   23.598  365.514   22.957 -10.20883 32.92271 
1 1 1    4   22    9 o  276.848   19.077 12072.74  1602.17   0.0000   0.0000 12072.74  1602.17  ?   ?   276.848   19.077 0.000000 19.07687 
1 1 1    4   22   10 o   58.541   20.711  478.255  462.388   0.0000   0.0000  478.255  462.388  ?   ?    58.541   20.711 0.000000 20.71132 
1 1 1    4   22   12 o   93.562   14.444  1387.96  399.201   0.0000   0.0000  1387.96  399.201  ?   ?    93.562   14.444 0.000000 14.44407 
1 1 1    4   22   13 o  270.110   12.542 11274.26  1034.02 11445.76  1461.64 11102.45  1463.01  269.907   17.843  265.681   18.150 4.226105 25.45177 
1 1 1    4   22   14 o  122.456   8.4813  2312.60  315.047  2396.26  443.339  2227.25  447.783  124.058   11.853  119.435   12.467 4.622917 17.20210 
1 1 1    4   22   15 o  210.808   8.6787  6823.85  558.419  7060.60  960.101  6702.82  686.476  212.682   14.884  208.301   10.835 4.381348 18.40980 
1 1 1    4   22   16 o  268.562   10.163 11101.17  833.047 10403.43  1437.44 11454.02  1022.21  256.893   18.455  272.261   12.301 -15.36771 22.17913 
1 1 1    4   22   17 o   52.733   11.210  444.821  174.864  333.037  248.316  554.786  246.286   46.922   15.191   58.666   13.957 -11.74360 20.62909 
1 1 1    4   22   18 o  283.742   6.7668 12334.14  586.037 12801.95  696.089 11195.51  1085.99  288.873   7.8948  268.872   13.233 20.00021 15.40919 
1 1 1    4   22   19 o  265.451   6.7070 10794.76  543.414 10707.60  645.421 11006.98  1007.16  264.164   8.0048  266.832   12.366 -2.667572 14.73110 
1 1 1    4   22   20 o  186.682   5.6622  5333.10  322.627  4797.42  380.987  6691.00  606.581  176.924   7.0551  208.579   9.5280 -31.65506 11.85569 
1 1 1    4   22   21 o   93.123   4.2215  1325.45  119.988  1282.22  137.211  1465.93  247.360   91.433   4.9349   97.357   8.4067 -5.923653 9.748121 
1 1 1    4   22   22 o  236.016   11.324  8595.06  815.755  9253.53  1159.99  7950.80  1147.41  243.189   15.712  224.932   16.835 18.25665 23.02765 
1 1 1    4   22   23 o  388.319   17.118 23598.19  2028.91 24040.29  2873.28 23158.52  2865.36  386.301   24.496  378.776   24.924 7.524323 34.94601 
1 1 1    4   22   24 f  147.834   9.0891  3371.81  408.133  3752.62  588.371  3018.64  566.617  155.265   12.522  138.905   13.537 16.35980 18.44010 
1 1 1    4   22   28 o  207.967   15.183  6777.81  957.089   0.0000   0.0000  6777.81  957.089  ?   ?   207.967   15.183 0.000000 15.18278 
1 1 1    4   22   29 o  111.890   4.6052  1914.56  157.274  2080.97  203.933  1670.32  247.057  116.586   5.7309  104.017   7.8394 12.56904 9.710781 
1 1 1    4   22   30 o  138.800   4.4014  2945.87  186.463  2964.25  215.888  2891.90  369.968  139.187   5.0818  136.826   8.9074 2.360443 10.25504 
1 1 1    4   22   31 o   86.760   3.9913  1150.68  105.694  1254.65  120.193  796.080  221.981   90.581   4.3474   71.065   10.555 19.51614 11.41490 
1 1 1    4   22   32 o  197.236   7.6001  5974.58  457.533  6662.09  716.638  5501.52  594.455  207.168   11.377  188.480   10.373 18.68842 15.39603 
1 1 1    4   22   33 o   68.248   4.7110  716.015   97.534  713.339  110.461  725.482  207.772   68.046   5.3619   67.779   10.373 0.2677231 11.67717 
1 1 1    4   22   34 o  208.025   5.3758  6627.31  341.332  6693.94  399.096  6445.83  658.695  208.938   6.2581  203.858   10.623 5.079697 12.32927 
1 1 1    4   22   35 o  103.216   4.1567  1629.47  130.952  1872.59  408.384  1601.60  138.252  109.014   12.499  102.315   4.4271 6.699249 13.26025 
1 1 1    4   22   36 o  122.355   2.9121  2287.37  108.755  2483.59  191.517  2193.99  132.125  127.358   4.9268  119.794   3.6135 7.563850 6.109889 
1 1 1    4   22   37 o  192.473   4.2154  5668.33  247.644  5818.21  357.550  5530.15  343.326  194.740   6.0154  189.873   5.9242 4.867020 8.442795 
1 1 1    4   22   38 o  139.888   9.2077  3038.72  390.943  3419.50  503.339  2459.74  620.669  147.826   11.240  123.213   16.953 24.61272 20.34048 
1 1 1    4   22   39 o   58.185   4.2202  520.938   74.439  516.278   97.570  527.427  115.145   57.741   5.6069   58.208   6.5976 -0.4665833 8.658247 
1 1 1    4   22   40 o  134.637   3.4587  2772.57  142.134  3293.31  201.266  2254.47  200.752  146.625   4.4972  121.212   5.4262 25.41362 7.047626 
1 1 1    4   22   41 o   41.297   10.926  276.085  139.847  267.873  276.132  278.917  162.185   44.047   15.955   41.663   12.062 2.383854 20.00156 
1 1 1    4   22   42 o  197.866   3.9611  5996.10  239.222  7093.58  1075.03  5938.92  245.374  208.289   17.059  196.899   4.0829 11.39009 17.54109 
1 1 1    4   22   43 o   85.230   3.4931  1111.99   90.870  1356.27  328.360  1091.73   94.563   91.942   11.986   84.437   3.6692 7.504784 12.53507 
1 1 1    4   22   44 o   84.427   8.7732  1122.12  222.775  1338.94  405.692  1028.51  266.560   89.753   15.361   80.014   11.223 9.738914 19.02476 
1 1 1    4   22   45 o  164.016   10.995  4273.23  547.231  4729.48  732.370  3696.49  823.408  170.399   14.211  147.156   18.759 23.24373 23.53423 
1 1 1    4   22   46 o  113.530   10.624  2056.22  363.870  2006.51  450.271  2149.80  617.747  110.637   13.622  111.280   18.861 -0.6431961 23.26581 
1 1 1    4   22   47 o   61.668   5.8473  592.555  108.745  488.714  179.184  653.102  136.824   54.492   11.149   64.478   7.0683 -9.986053 13.20081 
1 1 1    4   23    0 o  281.606   18.770 12406.05  1596.88 12406.05  1596.88 12406.05  1596.88  281.606   18.770  281.606   18.770 0.000000 0.000000 
1 1 1    4   23    1 o  408.830   17.979 26178.52  2243.45 25644.30  3174.49 26711.54  3170.95  398.176   26.268  406.928   25.662 -8.752014 36.72242 
1 1 1    4   23    2 o  330.533   14.274 16949.88  1440.03 22100.83  2040.32 11837.24  2032.72  375.735   17.791  270.797   24.871 104.9384 30.57938 
1 1 1    4   23    3 o  224.949   10.847  7796.65  744.761 10026.75  1056.95  5597.47  1049.59  254.036   13.682  188.066   18.526 65.96999 23.03019 
1 1 1    4   23    4 o  211.289   10.459  6874.12  674.529  8152.67  960.495  5629.96  947.493  228.951   13.809  189.278   16.567 39.67236 21.56796 
1 1 1    4   23    5 o  172.002   13.868  4614.56  721.865   0.0000   0.0000  4614.56  721.865  ?   ?   172.002   13.868 0.000000 13.86794 
1 1 1    4   23    7 o  177.005   14.660  4898.18  784.887   0.0000   0.0000  4898.18  784.887  ?   ?   177.005   14.660 0.000000 14.65994 
1 1 1    4   23    8 o   85.006   16.842  1166.10  421.528   0.0000   0.0000  1166.10  421.528  ?   ?    85.006   16.842 0.000000 16.84194 
1 1 1    4   23    9 o   73.356   13.863  860.782  299.013  815.332  377.851  936.933  489.096   70.814   17.566   75.751   20.607 -4.937325 27.07801 
1 1 1    4   23   10 o   44.668   17.522  190.524  348.377  190.524  348.377   0.0000   0.0000   44.668   17.522  ?   ?  0.000000 17.52217 
1 1 1    4   23   11 o  125.715   10.754  2452.85  408.658  2806.31  545.686  2001.47  616.661  133.915   13.536  111.467   18.794 22.44823 23.16105 
1 1 1    4   23   12 o  424.343   18.412 28277.00  2384.67 30556.45  3378.85 26014.77  3366.06  434.841   25.570  399.108   27.806 35.73306 37.77570 
1 1 1    4   23   13 o  265.966   12.339 10936.74  1001.65 10664.03  1411.06 11213.73  1422.09  260.229   17.874  267.029   17.546 -6.799591 25.04657 
1 1 1    4   23   14 o  264.334   6.9285 10707.62  558.993 10972.52  613.573  9414.22  1355.78  267.486   7.5153  244.221   18.322 23.26462 19.80308 
1 1 1    4   23   15 o  268.380   7.0558 11039.90  577.981 11255.66  634.551  9989.11  1400.36  270.883   7.6748  251.565   18.365 19.31833 19.90393 
1 1 1    4   23   16 o  196.096   5.6860  5885.08  340.323  5970.01  372.394  5454.72  838.257  197.456   6.1790  186.717   14.831 10.73915 16.06660 
1 1 1    4   23   17 o  202.932   5.7674  6303.08  357.228  5862.47  420.640  7442.98  676.579  195.571   7.0468  219.864   10.082 -24.29349 12.30054 
1 1 1    4   23   18 f  202.025   8.4974  6268.23  523.976  6241.24  900.245  6282.06  644.368  199.777   14.870  201.647   10.506 -1.869843 18.20707 
1 1 1    4   23   19 o  195.745   10.205  5916.86  607.567  5839.88  862.177  5992.80  856.310  193.245   14.728  195.868   14.425 -2.622818 20.61565 
1 1 1    4   23   20 o  187.989   10.025  5456.54  573.120  5175.50  814.308  5732.39  806.771  181.824   14.802  191.696   13.883 -9.872345 20.29318 
1 1 1    4   23   21 o   41.405   5.9157  267.724   72.636  267.724   72.636   0.0000   0.0000   41.405   5.9157  ?   ?  0.000000 5.915723 
1 1 1    4   23   22 o  121.741   4.9536  2266.90  184.067  2135.51  198.829  3054.46  486.789  118.129   5.5145  140.183   11.478 -22.05404 12.73363 
1 1 1    4   23   23 o  211.888   6.0671  6875.08  392.377  6915.63  429.983  6673.22  959.386  212.441   6.6312  206.339   15.343 6.102798 16.71479 
1 1 1    4   23   24 o  289.349   13.248 12989.23  1170.04 13888.73  1660.38 12101.97  1649.05  296.425   18.443  275.952   19.708 20.47305 26.99191 
1 1 1    4   23   25 o   93.340   9.0169  1352.24  253.689   0.0000   0.0000  1352.24  253.689  ?   ?    93.340   9.0169 0.000000 9.016916 
1 1 1    4   23   26 o  281.023   8.5210 12139.58  730.890 12139.58  730.890   0.0000   0.0000  281.023   8.5210  ?   ?  0.000000 8.521049 
1 1 1    4   23   27 f  124.660   6.2232  2381.05  236.786  2381.05  236.786   0.0000   0.0000  124.660   6.2232  ?   ?  0.000000 6.223181 
1 1 1    4   23   28 o  185.199   11.505  5327.79  647.121  5937.63  1179.65  5065.28  773.971  192.081   20.435  179.728   14.225 12.35278 24.89858 
1 1 1    4   23   29 o   67.368   14.127  733.198  281.205  1061.10  923.639  699.699  295.220   82.850   29.276   65.632   15.057 17.21786 32.92146 
1 1 1    4   23   30 o   17.027   7.0331   12.139   59.372   16.904   63.799 -18.6549  162.198   17.925   7.3343   25.867   11.189 -7.941975 13.37823 
1 1 1    4   23   31 o  182.214   4.8040  5081.20  267.180  5155.50  328.864  4936.96  458.240  183.415   5.8744  179.098   8.3827 4.316208 10.23614 
1 1 1    4   23   32 o  120.706   3.5201  2227.05  129.689  2097.73  450.422  2238.74  135.424  115.314   13.026  121.014   3.6664 -5.700279 13.53190 
1 1 1    4   23   33 o   60.350   4.3671  560.149   79.898  556.206  315.769  560.418   82.586   58.521   16.798   60.348   4.5163 -1.826740 17.39457 
1 1 1    4   23   34 o   56.918   3.1700  496.647   54.852  582.465   95.295  454.126   67.078   61.452   5.1274   54.334   4.0745 7.118477 6.549177 
1 1 1    4   23   35 o   93.801   3.3878  1345.12   96.992  1324.68  143.480  1362.31  131.621   92.846   5.0823   94.330   4.5715 -1.484039 6.835793 
1 1 1    4   23   36 o   97.073   8.1467  1463.62  239.145  1605.83  390.358  1378.18  302.573  100.419   13.044   93.556   10.794 6.863106 16.93099 
1 1 1    4   23   37 o   78.464   3.6217  941.743   86.735  915.242  118.543  972.277  127.243   77.102   5.0654   79.450   5.2772 -2.347359 7.314869 
1 1 1    4   23   38 o   87.494   4.1004  1172.07  109.502  1245.23  128.333  976.175  209.985   90.019   4.6870   78.907   8.8726 11.11147 10.03450 
1 1 1    4   23   39 o  164.807   8.7325  4223.04  437.704  5109.40  994.784  4010.24  487.422  175.731   18.840  160.120   10.024 15.61159 21.34102 
1 1 1    4   23   40 o   86.907   5.1705  1163.83  136.534  1346.17  780.812  1158.08  138.670   85.891   26.836   86.676   5.2666 -0.7850266 27.34810 
1 1 1    4   23   41 o  125.968   4.3378  2433.35  166.781  2387.27  430.206  2441.50  180.931  122.460   11.650  126.126   4.6999 -3.666626 12.56244 
1 1 1    4   23   42 o   69.624   9.7797  773.243  202.096  1008.02  389.314  686.638  236.450   76.885   17.038   64.713   12.423 12.17232 21.08578 
1 1 1    4   23   43 o  248.033   12.819  9887.04  967.142  9804.71  1335.30  9977.89  1402.68  240.832   18.302  241.851   19.158 -1.018890 26.49578 
1 1 1    4   23   44 o   43.485   9.4737  308.077  122.184   0.0000   0.0000  308.077  122.184  ?   ?    43.485   9.4737 0.000000 9.473737 
1 1 1    4   23   45 o   23.768   9.2042   59.173   95.174   1.8017  171.460   84.721  114.419   26.948   11.579   26.821   10.165 0.1268005 15.40830 
1 1 1    4   24    2 o  282.348   19.056 12605.31  1632.59   0.0000   0.0000 12605.31  1632.59  ?   ?   282.348   19.056 0.000000 19.05561 
1 1 1    4   24    3 o  245.977   17.052  9511.35  1272.36   0.0000   0.0000  9511.35  1272.36  ?   ?   245.977   17.052 0.000000 17.05244 
1 1 1    4   24    4 o  381.128   24.672 23436.23  2854.65   0.0000   0.0000 23436.23  2854.65  ?   ?   381.128   24.672 0.000000 24.67177 
1 1 1    4   24    5 o  314.606   13.481 15346.96  1294.47 20551.57  1838.05 10225.32  1823.34  362.588   16.608  251.551   24.041 111.0371 29.21969 
1 1 1    4   24    6 o  229.934   16.472  8300.90  1148.37  8300.90  1148.37   0.0000   0.0000  229.934   16.472  ?   ?  0.000000 16.47212 
1 1 1    4   24    7 o  126.909   9.9788  2494.49  383.417  2214.50  523.005  2819.82  563.752  118.456   14.788  134.087   13.980 -15.63094 20.35005 
1 1 1    4   24    8 o  290.624   13.551 13100.03  1202.00 13294.39  1703.16 12907.16  1696.63  289.780   19.368  285.390   19.596 4.390106 27.55217 
1 1 1    4   24    9 o  260.982   7.1184 10441.44  567.034 10512.40  620.314 10080.80  1398.46  261.756   7.7642  252.695   18.254 9.060928 19.83704 
1 1 1    4   24   10 o  231.012   7.1896  8181.88  506.941  8181.88  506.941   0.0000   0.0000  231.012   7.1896  ?   ?  0.000000 7.189603 
1 1 1    4   24   11 o  116.984   5.4194  2094.01  193.508  1970.23  205.839  3035.19  567.602  113.286   5.9741  139.270   13.523 -25.98449 14.78394 
1 1 1    4   24   12 o  250.062   6.3507  9577.36  484.713 10081.41  531.048  7061.15  1186.50  256.493   6.7833  211.119   18.603 45.37434 19.80124 
1 1 1    4   24   13 o  149.504   5.7491  3421.19  262.342  3421.19  262.342   0.0000   0.0000  149.504   5.7491  ?   ?  0.000000 5.749084 
1 1 1    4   24   14 f  380.272   24.909 23383.69  2875.20 23383.69  2875.20   0.0000   0.0000  380.272   24.909  ?   ?  0.000000 24.90936 
1 1 1    4   24   15 o  349.537   22.769 19590.76  2415.84 19590.76  2415.84   0.0000   0.0000  349.537   22.769  ?   ?  0.000000 22.76857 
1 1 1    4   24   16 o  183.811   14.161  5279.95  788.355  5279.95  788.355   0.0000   0.0000  183.811   14.161  ?   ?  0.000000 14.16091 
1 1 1    4   24   17 f  281.439   18.880 12535.14  1612.43 12535.14  1612.43   0.0000   0.0000  281.439   18.880  ?   ?  0.000000 18.88003 
1 1 1    4   24   18 o  262.726   7.8506 10594.64  629.542 10594.64  629.542   0.0000   0.0000  262.726   7.8506  ?   ?  0.000000 7.850643 
1 1 1    4   24   19 o  155.003   5.1712  3675.92  244.654  3647.31  263.332  3856.41  661.403  154.366   5.5890  156.937   13.953 -2.571213 15.03107 
1 1 1    4   24   20 o  115.087   4.6737  2025.60  164.175  2013.37  174.111  2123.68  493.042  114.723   4.9723  116.023   14.220 -1.299622 15.06464 
1 1 1    4   24   21 o  136.901   8.9325  2894.66  371.199  3067.21  532.863  2731.98  517.389  140.139   12.592  132.096   13.001 8.043182 18.09933 
1 1 1    4   24   22 o  177.669   10.047  4881.44  542.598   0.0000   0.0000  4881.44  542.598  ?   ?   177.669   10.047 0.000000 10.04690 
1 1 1    4   24   23 o  164.716   13.520  4245.47  673.712   0.0000   0.0000  4245.47  673.712  ?   ?   164.716   13.520 0.000000 13.51974 
1 1 1    4   24   24 o  115.239   8.9039  2055.68  310.751   0.0000   0.0000  2055.68  310.751  ?   ?   115.239   8.9039 0.000000 8.903885 
1 1 1    4   24   25 o   27.322   7.4003  118.389   63.239  125.622   67.771   69.669  175.885   28.150   7.6761   30.637   12.307 -2.486853 14.50504 
1 1 1    4   24   26 o  111.743   9.0789  1935.82  306.972  2118.46  447.354  1773.29  422.002  116.063   12.843  105.939   13.347 10.12412 18.52299 
1 1 1    4   24   27 o  165.569   7.1735  4209.14  362.514  4809.38  585.236  3835.44  461.772  175.947   10.952  157.374   9.6601 18.57245 14.60354 
1 1 1    4   24   28 o   40.115   14.699  206.048  235.337  281.546  938.832  200.986  243.098   66.277   27.720   40.218   14.905 26.05949 31.47260 
1 1 1    4   24   29 o   95.442   4.6686  1394.11  136.001  1673.42  961.829  1388.41  137.382   98.100   29.628   95.244   4.7258 2.856377 30.00279 
1 1 1    4   24   30 o  189.971   4.3974  5522.14  254.976  7009.08  1235.82  5456.03  260.582  208.092   19.691  188.816   4.5216 19.27545 20.20389 
1 1 1    4   24   31 o  247.866   6.0093  9424.86  454.627 11911.13  1568.62  9196.86  475.015  271.808   19.028  244.774   6.3581 27.03421 20.06184 
1 1 1    4   24   32 o  276.197   4.0138 11670.58  338.370 12512.57  484.654 10869.86  472.629  285.665   5.5585  266.194   5.8171 19.47076 8.045817 
1 1 1    4   24   33 o  106.037   3.8243  1720.02  123.774  1749.91  134.212  1550.01  320.131  106.934   4.1120   99.308   10.732 7.626022 11.49293 
1 1 1    4   24   34 o   40.704   10.858  267.031  137.392  254.643  175.429  286.683  220.958   40.443   12.734   43.405   14.345 -2.962093 19.18147 
1 1 1    4   24   35 o  150.304   3.0988  3453.94  142.161  3585.51  186.158  3269.85  220.193  153.050   3.9850  146.041   4.9398 7.008850 6.346828 
1 1 1    4   24   36 o   71.732   3.1033  786.792   67.943  847.511   99.070  732.872   93.358   74.247   4.3912   69.016   4.4556 5.230423 6.255798 
1 1 1    4   24   37 o   52.868   9.4737  447.494  147.258  529.370  200.866  352.358  216.522   57.005   11.928   46.704   14.047 10.30127 18.42762 
1 1 1    4   24   38 o   42.677   8.6908  292.927  109.359  387.278  808.154  291.167  110.374   62.219   25.844   42.527   8.7936 19.69160 27.29922 
1 1 1    4   24   39 o  100.445   10.208  1597.49  308.608   0.0000   0.0000  1597.49  308.608  ?   ?   100.445   10.208 0.000000 10.20801 
1 1 1    4   24   40 o   64.412   4.5729  640.199   89.320   0.0000   0.0000  640.199   89.320  ?   ?    64.412   4.5729 0.000000 4.572938 
1 1 1    4   24   41 o  133.967   4.8762  2759.69  199.389   0.0000   0.0000  2759.69  199.389  ?   ?   133.967   4.8762 0.000000 4.876244 
1 1 1    4   24   42 o  188.592   6.5536  5508.16  377.242   0.0000   0.0000  5508.16  377.242  ?   ?   188.592   6.5536 0.000000 6.553597 
1 1 1    4   24   43 o   95.804   16.390  1569.67  462.038  1799.71  764.575  1437.34  579.902   95.701   25.652   88.163   21.697 7.538055 33.59787 
1 1 1    4   25    0 o  541.843   34.011 47233.45  5574.05 47233.45  5574.05 47233.45  5574.05  541.843   34.011  541.843   34.011 0.000000 0.000000 
1 1 1    4   25    1 o  367.529   15.951 21095.06  1789.41 26156.91  2533.76 16058.37  2527.46  405.780   20.524  313.411   26.675 92.36908 33.65719 
1 1 1    4   25    2 o  321.077   21.131 16437.99  2059.30 16437.99  2059.30   0.0000   0.0000  321.077   21.131  ?   ?  0.000000 21.13140 
1 1 1    4   25    3 o  312.325   20.864 15541.41  1977.49 15541.41  1977.49   0.0000   0.0000  312.325   20.864  ?   ?  0.000000 20.86392 
1 1 1    4   25    4 o  304.595   20.465 14761.88  1891.56 14761.88  1891.56   0.0000   0.0000  304.595   20.465  ?   ?  0.000000 20.46485 
1 1 1    4   25    5 o  195.616   15.744  6008.78  932.089  6008.78  932.089   0.0000   0.0000  195.616   15.744  ?   ?  0.000000 15.74447 
1 1 1    4   25    6 o  270.057   18.378 11524.38  1505.86 11524.38  1505.86   0.0000   0.0000  270.057   18.378  ?   ?  0.000000 18.37819 
1 1 1    4   25    7 o  406.387   11.434 25508.82  1418.25 25508.82  1418.25   0.0000   0.0000  406.387   11.434  ?   ?  0.000000 11.43395 
1 1 1    4   25    8 o  291.398   8.5776 13047.32  762.901 13047.32  762.901   0.0000   0.0000  291.398   8.5776  ?   ?  0.000000 8.577588 
1 1 1    4   25    9 o  330.885   9.5339 16850.41  962.865 16850.41  962.865   0.0000   0.0000  330.885   9.5339  ?   ?  0.000000 9.533922 
1 1 1    4   25   10 o  138.868   15.850  3048.35  659.789  3048.35  659.789   0.0000   0.0000  138.868   15.850  ?   ?  0.000000 15.85023 
1 1 1    4   25   11 o  618.725   42.830 68714.07  8038.64 68714.07  8038.64   0.0000   0.0000  618.725   42.830  ?   ?  0.000000 42.82995 
1 1 1    4   25   12 o  308.285   20.933 15171.20  1958.01 15171.20  1958.01   0.0000   0.0000  308.285   20.933  ?   ?  0.000000 20.93278 
1 1 1    4   25   13 o  134.730   16.197  2877.58  652.729  2877.58  652.729   0.0000   0.0000  134.730   16.197  ?   ?  0.000000 16.19730 
1 1 1    4   25   14 o  426.234   27.989 29940.92  3621.06 29940.92  3621.06   0.0000   0.0000  426.234   27.989  ?   ?  0.000000 27.98916 
1 1 1    4   25   15 o  321.479   14.112 16082.97  1384.70 17956.73  1979.05 14285.92  1938.12  336.344   19.360  298.599   21.408 37.74545 28.86301 
1 1 1    4   25   16 o   87.595   4.6921  1176.91  124.993  1285.22  136.204  599.006  314.611   91.529   4.8932   60.812   16.521 30.71657 17.23008 
1 1 1    4   25   17 o  177.003   5.5170  4796.22  298.058  4750.35  325.248  5036.69  744.659  176.099   6.0512  179.460   13.698 -3.361237 14.97527 
1 1 1    4   25   18 o  160.656   9.2667  3987.13  452.473  4877.92  644.274  3120.16  635.601  177.070   11.992  140.592   15.045 36.47815 19.23956 
1 1 1    4   25   19 o  386.569   25.323 24448.67  2971.30   0.0000   0.0000 24448.67  2971.30  ?   ?   386.569   25.323 0.000000 25.32262 
1 1 1    4   25   20 o  211.230   15.416  7020.42  987.062   0.0000   0.0000  7020.42  987.062  ?   ?   211.230   15.416 0.000000 15.41636 
1 1 1    4   25   21 o  174.712   10.069  4726.63  534.674   0.0000   0.0000  4726.63  534.674  ?   ?   174.712   10.069 0.000000 10.06912 
1 1 1    4   25   22 o  106.831   4.5547  1745.93  148.516  1603.04  167.789  2262.94  319.163  102.175   5.3994  120.935   8.7048 -18.75968 10.24338 
1 1 1    4   25   23 o  141.029   12.897  3120.01  548.997   0.0000   0.0000  3120.01  548.997  ?   ?   141.029   12.897 0.000000 12.89668 
1 1 1    4   25   24 o  291.549   13.476 13265.15  1199.16 13622.22  1701.24 12912.54  1690.55  291.592   19.223  283.563   19.654 8.028625 27.49158 
1 1 1    4   25   25 o  175.324   5.0103  4706.28  268.114  4806.93  313.218  4430.34  518.617  177.092   5.7947  168.981   10.102 8.111282 11.64556 
1 1 1    4   25   26 o   64.970   4.4963  649.013   88.615  678.493   96.934  499.030  218.641   66.401   4.8156   55.463   13.121 10.93763 13.97646 
1 1 1    4   25   27 o  154.221   3.2311  3635.06  152.091  3931.43  203.314  3258.49  229.180  160.307   4.1553  145.849   5.1482 14.45833 6.615919 
1 1 1    4   25   28 o   52.663   4.3550  427.326   69.375  744.881  182.050  373.376   75.037   68.917   8.8598   49.110   5.0794 19.80746 10.21254 
1 1 1    4   25   29 o   58.464   3.2520  524.101   57.801  577.296   83.982  476.224   79.674   61.240   4.5250   55.563   4.7434 5.677307 6.555580 
1 1 1    4   25   30 o  162.428   4.1333  4037.74  204.917  4502.64  343.671  3781.27  255.256  171.154   6.5787  157.039   5.3254 14.11555 8.463959 
1 1 1    4   25   31 f  171.962   5.5295  4537.20  290.226  4818.31  355.421  3974.69  502.775  177.011   6.5785  159.554   10.381 17.45744 12.28951 
1 1 1    4   25   32 o   21.314   8.5419   34.201   84.503  119.157  211.297   18.027   92.197   34.785   13.646   21.078   8.7400 13.70759 16.20492 
1 1 1    4   25   33 o  203.644   5.2380  6364.27  325.576  7011.57  430.325  5497.71  497.900  213.400   6.6067  188.369   8.6600 25.03102 10.89238 
1 1 1    4   25   34 o   47.688   5.1977  353.190   74.429  346.855   78.460  410.141  235.250   47.195   5.5529   50.087   14.535 -2.891800 15.55912 
1 1 1    4   25   35 o  203.612   4.3848  6356.16  272.505  6458.15  421.381  6282.84  357.267  204.598   6.7477  202.089   5.7921 2.508453 8.892672 
1 1 1    4   25   36 o   50.401   5.0272  394.040   76.305   0.0000   0.0000  394.040   76.305  ?   ?    50.401   5.0272 0.000000 5.027197 
1 1 1    4   25   37 o  170.797   10.659  4611.99  552.914   0.0000   0.0000  4611.99  552.914  ?   ?   170.797   10.659 0.000000 10.65945 
1 1 1    4   25   38 o   89.668   5.6303  1243.81  153.312   0.0000   0.0000  1243.81  153.312  ?   ?    89.668   5.6303 0.000000 5.630286 
1 1 1    4   25   39 o  111.540   20.174  2196.72  661.537   0.0000   0.0000  2196.72  661.537  ?   ?   111.540   20.174 0.000000 20.17418 
1 1 1    4   25   40 o   52.724   11.455  459.623  179.072  452.485  190.096  515.869  533.599   52.116   12.171   57.626   21.925 -5.510136 25.07698 
1 1 1    4   26    0 o  375.321   24.132 22252.11  2738.27 22252.11  2738.27 22252.11  2738.27  375.321   24.132  375.321   24.132 0.000000 0.000000 
1 1 1    4   26    1 o  223.945   11.639  7776.86  792.844  9327.22  1121.57  6228.27  1120.93  244.017   15.133  197.776   18.795 46.24136 24.13023 
1 1 1    4   26    2 f  277.557   13.186 11960.64  1117.10 11725.22  1577.75 12197.31  1581.91  271.662   19.151  277.295   18.802 -5.632843 26.83742 
1 1 1    4   26    3 o  261.756   12.645 10623.36  1010.26 12544.12  1430.33  8711.23  1427.11  282.354   16.671  233.424   20.231 48.92987 26.21445 
1 1 1    4   26    4 o  211.421   11.339  6928.49  729.058  5810.91  1028.37  8057.77  1033.74  191.366   17.811  226.767   15.020 -35.40115 23.29883 
1 1 1    4   26    5 o  216.663   11.700  7282.92  770.846  5486.77  1107.77  8969.12  1073.33  185.009   19.932  239.390   14.762 -54.38126 24.80298 
1 1 1    4   26    6 o  413.307   10.077 26337.51  1271.18 26953.07  1398.24 23404.91  3051.92  417.717   10.967  377.529   26.657 40.18784 28.82443 
1 1 1    4   26    7 o  209.329   6.7764  6718.51  432.960  6718.51  432.960   0.0000   0.0000  209.329   6.7764  ?   ?  0.000000 6.776444 
1 1 1    4   26    8 o  127.742   5.0599  2496.84  197.284  2409.24  220.622  2846.45  440.732  125.432   5.7627  135.357   10.757 -9.925385 12.20293 
1 1 1    4   26    9 o  258.557   12.645 10371.45  997.944  9180.93  1409.37 11568.52  1413.25  239.939   19.411  270.712   17.193 -30.77287 25.93030 
1 1 1    4   26   10 o  447.378   15.836 31347.16  2162.40 33953.23  3743.84 30042.52  2648.93  453.852   27.151  434.702   19.965 19.14963 33.70103 
1 1 1    4   26   11 o  238.989   11.536  8839.47  841.458 11452.16  1210.44  6396.09  1170.56  270.475   14.718  199.934   19.427 70.54153 24.37262 
1 1 1    4   26   12 o  106.961   10.153  1780.63  327.494  2213.42  560.160  1555.88  403.671  117.840   15.987   99.093   13.714 18.74635 21.06312 
1 1 1    4   26   13 o  295.610   13.336 13595.01  1203.30 14910.13  1725.51 12350.01  1678.89  306.375   18.539  277.890   19.926 28.48486 27.21707 
1 1 1    4   26   14 o  122.361   4.6273  2290.36  172.818  2442.39  189.722  1549.46  418.831  126.337   4.9201   98.690   14.323 27.64673 15.14408 
1 1 1    4   26   15 o  216.902   5.7049  7206.33  377.686  7532.51  415.140  5639.36  909.897  221.693   6.1351  188.921   15.928 32.77190 17.06882 
1 1 1    4   26   16 f  187.445   6.1809  5385.81  353.624   0.0000   0.0000  5385.81  353.624  ?   ?   187.445   6.1809 0.000000 6.180889 
1 1 1    4   26   17 o   60.652   15.362  598.948  284.700   0.0000   0.0000  598.948  284.700  ?   ?    60.652   15.362 0.000000 15.36207 
1 1 1    4   26   18 o   98.856   12.800  1544.71  377.154   0.0000   0.0000  1544.71  377.154  ?   ?    98.856   12.800 0.000000 12.80027 
1 1 1    4   26   19 o  156.764   5.1108  3762.67  244.541  3771.89  266.355  3713.23  616.984  156.909   5.5616  153.766   13.276 3.142853 14.39410 
1 1 1    4   26   20 o  117.088   4.7140  2098.22  168.467  2049.62  182.071  2387.50  444.190  115.691   5.1561  123.404   11.942 -7.712875 13.00785 
1 1 1    4   26   21 o   67.555   5.1978  703.068  106.353  702.280  114.539  707.995  286.460   67.464   5.6134   65.952   14.615 1.512466 15.65574 
1 1 1    4   26   22 o  110.599   8.8570  1898.64  296.481  1953.73  427.862  1847.77  411.208  111.200   12.842  108.147   12.699 3.052513 18.06081 
1 1 1    4   26   23 o   93.818   7.8602  1364.42  223.007  1152.00  373.458  1482.13  278.015   84.368   15.055   97.483   9.4630 -13.11504 17.78189 
1 1 1    4   26   24 o   91.415   4.4056  1279.04  122.925  1233.56  137.313  1462.57  275.852   89.595   5.0418   96.808   9.4565 -7.212944 10.71657 
1 1 1    4   26   25 o  106.884   4.3072  1748.55  140.517  1746.66  158.796  1755.34  301.668  106.784   4.8721  106.114   9.4117 0.6696167 10.59803 
1 1 1    4   26   26 o   91.258   4.2933  1274.81  119.585  1315.01  379.770  1270.39  125.994   90.344   14.244   91.084   4.5320 -0.7396011 14.94765 
1 1 1    4   26   27 o  121.040   3.4788  2240.56  128.521  2609.41  184.304  1891.44  179.310  130.519   4.6264  111.058   5.2898 19.46045 7.027474 
1 1 1    4   26   28 o   62.289   3.4385  595.209   65.120  582.987   95.058  606.016   89.392   61.450   5.1146   62.714   4.7043 -1.264145 6.949067 
1 1 1    4   26   29 o  184.834   8.8638  5293.92  500.058  5528.06  658.759  4975.55  768.156  187.556   11.564  176.510   14.383 11.04660 18.45532 
1 1 1    4   26   30 o   64.916   11.128  676.862  212.561  661.358  292.867  694.121  308.994   63.094   15.354   64.550   15.809 -1.456821 22.03755 
1 1 1    4   26   31 o  100.270   4.3736  1540.97  133.854  1536.66  148.036  1560.33  313.385  100.080   4.8462   99.381   10.490 0.6999054 11.55527 
1 1 1    4   26   32 o   92.731   29.575  1636.84  943.926  1636.84  943.926   0.0000   0.0000   92.731   29.575  ?   ?  0.000000 29.57542 
1 1 1    4   26   35 o  158.681   4.9935  3872.18  241.848   0.0000   0.0000  3872.18  241.848  ?   ?   158.681   4.9935 0.000000 4.993459 
1 1 1    4   26   36 o   34.387   13.454  127.761  204.958   0.0000   0.0000  127.761  204.958  ?   ?    34.387   13.454 0.000000 13.45374 
1 1 1    4   26   37 f  121.201   6.8607  2286.08  252.759  2293.93  268.135  2223.46  757.300  121.263   7.2782  109.215   23.421 12.04832 24.52549 
1 1 1    4   26   38 o  172.809   7.0427  4642.85  371.467  4642.85  371.467   0.0000   0.0000  172.809   7.0427  ?   ?  0.000000 7.042669 
1 1 1    4   27    0 o  688.527   44.567 79566.41  9275.91 79566.41  9275.91 79566.41  9275.91  688.527   44.567  688.527   44.567 0.000000 0.000000 
1 1 1    4   27    1 o  341.559   14.386 18224.28  1499.77 28969.43  2129.74  7653.68  2112.36  429.270   16.255  208.654   34.365 220.6161 38.01551 
1 1 1    4   27    2 o  390.863   17.485 24129.61  2085.94 26616.77  2950.69 21644.91  2949.23  403.918   24.043  361.157   26.949 42.76108 36.11467 
1 1 1    4   27    3 o  365.796   16.471 21055.60  1839.02 19773.13  2598.61 22342.34  2602.94  347.340   24.672  370.848   23.111 -23.50708 33.80559 
1 1 1    4   27    4 o  439.848   19.554 30825.60  2625.21 32946.47  3713.20 28706.09  3712.01  445.061   27.469  412.528   29.679 32.53354 40.43987 
1 1 1    4   27    5 o  308.493   14.744 14889.66  1388.32 18214.65  1955.41 11509.88  1971.45  337.984   19.033  264.524   24.704 73.45999 31.18503 
1 1 1    4   27    6 o  320.055   8.4383 15762.78  824.323 15820.22  902.887 15475.16  2020.44  320.377   9.2333  309.551   21.518 10.82608 23.41541 
1 1 1    4   27    7 o  292.099   6.9560 13095.30  620.164 13738.41  730.378 11433.61  1174.04  298.910   8.0055  270.133   14.290 28.77737 16.37972 
1 1 1    4   27    8 o  196.574   9.1540  5955.97  549.232  6008.11  933.770  5928.39  679.133  194.943   15.830  195.258   11.445 -0.3144989 19.53425 
1 1 1    4   27    9 o  116.136   11.789  2113.17  412.098  1620.15  575.960  2630.30  589.879   99.185   19.720  128.646   15.324 -29.46099 24.97393 
1 1 1    4   27   10 o  255.329   10.266 10077.27  800.046 10707.80  1385.37  9761.77  979.977  259.492   17.595  250.078   12.883 9.413971 21.80732 
1 1 1    4   27   11 o   67.788   15.614  749.911  316.407  976.372  494.443  592.862  411.754   76.650   20.664   61.220   19.534 15.43008 28.43579 
1 1 1    4   27   12 o  178.393   14.175  5008.64  765.436   0.0000   0.0000  5008.64  765.436  ?   ?   178.393   14.175 0.000000 14.17453 
1 1 1    4   27   13 f   59.061   15.716  568.517  288.276   0.0000   0.0000  568.517  288.276  ?   ?    59.061   15.716 0.000000 15.71575 
1 1 1    4   27   14 o   66.797   15.145  727.841  301.651   0.0000   0.0000  727.841  301.651  ?   ?    66.797   15.145 0.000000 15.14469 
1 1 1    4   27   15 o   93.302   13.254  1384.85  366.827   0.0000   0.0000  1384.85  366.827  ?   ?    93.302   13.254 0.000000 13.25372 
1 1 1    4   27   16 o   28.797   12.765 -69.9456  222.932   0.0000   0.0000 -69.9456  222.932  ?   ?    28.797   12.765 0.000000 12.76514 
1 1 1    4   27   17 o   52.156   15.427  436.721  262.781   0.0000   0.0000  436.721  262.781  ?   ?    52.156   15.427 0.000000 15.42678 
1 1 1    4   27   18 o  172.945   3.9684  4575.12  209.481  5462.32  303.369  3766.57  289.611  188.806   5.2643  156.681   6.0559 32.12494 8.024139 
1 1 1    4   27   19 o   94.020   5.0160  1357.99  143.423   0.0000   0.0000  1357.99  143.423  ?   ?    94.020   5.0160 0.000000 5.015961 
1 1 1    4   27   20 o  124.332   12.552  2439.91  469.808   0.0000   0.0000  2439.91  469.808  ?   ?   124.332   12.552 0.000000 12.55177 
1 1 1    4   27   21 f   72.489   9.8950  828.981  213.212  840.900  309.460  818.209  294.176   71.790   14.620   70.934   14.084 0.8560333 20.30017 
1 1 1    4   27   22 f   35.031   6.2562  194.116   64.438  195.353   67.178  179.872  227.958   35.102   6.5099   38.403   14.393 -3.301727 15.79687 
1 1 1    4   27   23 o  141.714   4.8964  3077.93  211.790  3084.51  230.487  3042.21  536.815  141.810   5.3250  138.636   12.832 3.174530 13.89279 
1 1 1    4   27   24 o   25.087   10.918 -23.1698  156.335 -42.2714  239.576  -9.0035  206.317   30.664   13.426   29.448   12.678 1.216017 18.46594 
1 1 1    4   27   25 o  146.820   9.0831  3355.29  405.039  3740.54  583.509  2997.05  562.681  153.728   12.545  137.049   13.632 16.67908 18.52638 
1 1 1    4   27   26 o   49.180   5.4789  375.946   80.846  375.946   80.846   0.0000   0.0000   49.180   5.4789  ?   ?  0.000000 5.478897 
1 1 1    4   27   27 o  105.437   4.8768  1705.54  156.944  1705.54  156.944   0.0000   0.0000  105.437   4.8768  ?   ?  0.000000 4.876793 
1 1 1    4   27   28 o   45.783   15.801  315.957  268.145  315.957  268.145   0.0000   0.0000   45.783   15.801  ?   ?  0.000000 15.80103 
1 1 1    4   27   29 o   77.559   4.7963  926.873  112.985  926.873  112.985   0.0000   0.0000   77.559   4.7963  ?   ?  0.000000 4.796338 
1 1 1    4   27   30 o  132.164   14.259  2840.56  566.088   0.0000   0.0000  2840.56  566.088  ?   ?   132.164   14.259 0.000000 14.25898 
1 1 1    4   27   31 o   77.683   7.1557  942.349  167.759   0.0000   0.0000  942.349  167.759  ?   ?    77.683   7.1557 0.000000 7.155667 
1 1 1    4   27   32 o   50.837   14.969  431.937  247.912   0.0000   0.0000  431.937  247.912  ?   ?    50.837   14.969 0.000000 14.96909 
1 1 1    4   27   33 o   44.506   19.232   60.374  478.282   53.733  862.442   63.324  574.762   55.998   24.949   47.979   20.906 8.019600 32.55065 
1 1 1    4   27   34 o   85.940   6.7283  1152.08  175.081  1575.33  925.861  1136.39  178.298   87.025   29.375   85.300   6.9076 1.725098 30.17642 
1 1 1    4   27   35 f   74.526   28.684  1077.73  919.926  1077.73  919.926   0.0000   0.0000   74.526   28.684  ?   ?  0.000000 28.68414 
1 1 1    4   28    0 o  390.683   25.217 24345.29  2978.30 24345.29  2978.30 24345.29  2978.30  390.683   25.217  390.683   25.217 0.000000 0.000000 
1 1 1    4   28    1 f  271.238   12.817 11478.60  1061.07  8026.97  1494.12 14990.65  1507.14  220.977   22.465  307.652   16.106 -86.67564 27.64187 
1 1 1    4   28    2 o  501.208   22.419 40965.70  3429.59 39554.09  4844.18 42384.33  4856.18  472.949   33.780  492.075   32.516 -19.12567 46.88688 
1 1 1    4   28    3 o  238.290   11.887  8833.29  864.576 13604.40  1227.34  4133.68  1218.11  294.838   13.638  155.631   26.599 139.2068 29.89133 
1 1 1    4   28    4 o  334.802   15.364 17662.82  1570.02 19474.10  2221.58 15855.58  2219.11  346.210   21.125  309.925   23.637 36.28421 31.70109 
1 1 1    4   28    5 o  296.015   20.452 14203.16  1836.52 14203.16  1836.52   0.0000   0.0000  296.015   20.452  ?   ?  0.000000 20.45201 
1 1 1    4   28    6 o  319.551   8.7312 15749.93  851.587 15052.70  931.534 19296.85  2101.04  311.977   9.7827  345.555   20.006 -33.57806 22.26983 
1 1 1    4   28    7 o  165.432   10.466  4257.46  525.753   0.0000   0.0000  4257.46  525.753  ?   ?   165.432   10.466 0.000000 10.46623 
1 1 1    4   28    9 o  224.486   12.078  7875.00  824.488   0.0000   0.0000  7875.00  824.488  ?   ?   224.486   12.078 0.000000 12.07750 
1 1 1    4   28   10 o  159.585   14.628  4039.56  704.588   0.0000   0.0000  4039.56  704.588  ?   ?   159.585   14.628 0.000000 14.62807 
1 1 1    4   28   11 o   79.540   11.504  1003.75  271.168   0.0000   0.0000  1003.75  271.168  ?   ?    79.540   11.504 0.000000 11.50370 
1 1 1    4   28   12 o   96.795   4.7087  1434.73  139.114  1526.85  152.047  961.286  344.697   99.833   4.9898   76.771   15.248 23.06222 16.04361 
1 1 1    4   28   13 o   88.273   4.9948  1197.59  134.021  1247.41  146.542  942.860  331.370   90.049   5.3559   76.110   14.797 13.93860 15.73678 
1 1 1    4   28   14 o  113.779   9.8700  2020.96  339.367  2356.52  568.488  1835.17  423.009  120.969   15.772  107.432   13.177 13.53741 20.55175 
1 1 1    4   28   15 o  131.048   9.5984  2674.42  381.251  3284.26  619.956  2303.52  483.481  143.634   14.333  120.410   13.382 23.22388 19.60841 
1 1 1    4   28   16 o   70.335   12.103  794.060  250.462  755.765  469.175  809.323  296.198   67.521   20.754   70.439   14.266 -2.917839 25.18454 
1 1 1    4   28   17 o  100.882   4.9338  1559.83  151.920  1558.03  166.198  1569.02  374.640  100.634   5.4309   99.274   12.652 1.359726 13.76798 
1 1 1    4   28   18 o  259.574   6.8347 10370.57  541.496 10581.45  595.352  9360.68  1302.87  261.993   7.4450  240.177   17.901 21.81570 19.38764 
1 1 1    4   28   19 o   80.120   4.6037  986.811  112.108  1685.52  478.958  946.312  115.311  101.613   15.970   78.423   4.8410 23.19031 16.68732 
1 1 1    4   28   20 o  162.381   5.3224  4046.60  263.792  4530.59  744.905  3977.20  282.071  168.198   14.656  160.909   5.7433 7.288986 15.74149 
1 1 1    4   28   21 o   97.481   4.7184  1456.91  140.390  1523.19  154.406  1140.76  337.223   99.507   5.1010   83.901   13.637 15.60605 14.55954 
1 1 1    4   28   22 o   42.477   8.6886  289.722  108.848  289.722  108.848   0.0000   0.0000   42.477   8.6886  ?   ?  0.000000 8.688553 
1 1 1    4   28   23 o   75.011   14.286  924.900  315.133  924.900  315.133   0.0000   0.0000   75.011   14.286  ?   ?  0.000000 14.28596 
1 1 1    4   28   24 o   63.219   12.934  655.615  241.154  655.615  241.154   0.0000   0.0000   63.219   12.934  ?   ?  0.000000 12.93356 
1 1 1    4   28   25 o   53.785   5.1224  448.421   83.075  448.421   83.075   0.0000   0.0000   53.785   5.1224  ?   ?  0.000000 5.122396 
1 1 1    4   28   26 o  158.045   13.798  4037.26  658.932  4037.26  658.932   0.0000   0.0000  158.045   13.798  ?   ?  0.000000 13.79810 
1 1 1    4   28   27 o   45.247   17.626  246.567  350.603   0.0000   0.0000  246.567  350.603  ?   ?    45.247   17.626 0.000000 17.62564 
1 1 1    4   28   28 o   67.193   18.260  786.920  384.257   0.0000   0.0000  786.920  384.257  ?   ?    67.193   18.260 0.000000 18.25956 
1 1 1    4   28   29 o   39.415   15.339  181.439  265.343 -194.8885  948.114  213.420  276.388   54.845   25.119   41.123   15.748 13.72274 29.64724 
1 1 1    4   28   30 o  131.032   6.0335  2653.76  241.302  2868.08  275.978  1958.02  497.233  136.037   6.6466  107.967   15.536 28.06952 16.89817 
1 1 1    4   28   31 o   89.327   7.2292  1248.98  195.412  1302.91  232.969  1120.99  358.908   90.820   8.5032   81.362   15.005 9.458496 17.24725 
1 1 1    4   28   32 o   38.148   13.724  211.663  203.837  211.663  203.837   0.0000   0.0000   38.148   13.724  ?   ?  0.000000 13.72403 
1 1 1    4   29    0 o   60.279   26.949  830.026  527.442  830.026  527.442  830.026  527.442   60.279   26.949   60.279   26.949 0.000000 0.000000 
1 1 1    4   29    1 o  212.562   16.538  7250.23  1064.52   0.0000   0.0000  7250.23  1064.52  ?   ?   212.562   16.538 0.000000 16.53805 
1 1 1    4   29    2 o  178.068   15.615  5071.81  840.091   0.0000   0.0000  5071.81  840.091  ?   ?   178.068   15.615 0.000000 15.61461 
1 1 1    4   29    3 o  268.979   19.154 11776.90  1562.26   0.0000   0.0000 11776.90  1562.26  ?   ?   268.979   19.154 0.000000 19.15429 
1 1 1    4   29    4 o  192.805   15.893  5952.70  926.923   0.0000   0.0000  5952.70  926.923  ?   ?   192.805   15.893 0.000000 15.89260 
1 1 1    4   29    5 o  128.515   10.782  2588.00  419.008   0.0000   0.0000  2588.00  419.008  ?   ?   128.515   10.782 0.000000 10.78157 
1 1 1    4   29    6 o  118.019   11.798  2197.17  419.304   0.0000   0.0000  2197.17  419.304  ?   ?   118.019   11.798 0.000000 11.79829 
1 1 1    4   29    7 o   80.728   5.2396  1003.54  128.405  1033.40  136.533  774.959  377.809   81.889   5.4944   68.115   17.928 13.77374 18.75102 
1 1 1    4   29    8 o   46.006   16.904  282.694  311.527  413.359  423.635  128.834  459.702   54.169   19.741   46.807   19.471 7.361759 27.72800 
1 1 1    4   29    9 o   66.885   15.862  740.751  318.922  579.790  447.464  906.939  454.671   60.574   20.422   73.228   19.847 -12.65364 28.47684 
1 1 1    4   29   10 o   74.404   13.663  898.871  298.839  1240.92  459.592  648.324  393.345   86.192   18.048   62.623   18.955 23.56934 26.17305 
1 1 1    4   29   11 o  115.983   8.1954  2089.10  288.255  2268.58  548.766  2020.70  338.754  118.355   15.569  113.618   9.8663 4.737305 18.43168 
1 1 1    4   29   12 o  262.789   6.4103 10623.46  514.164 10957.00  608.576  9791.62  961.087  266.500   7.4817  249.133   12.681 17.36664 14.72354 
1 1 1    4   29   13 o   43.864   14.199  299.140  216.947  685.239  445.808  179.333  248.335   64.292   20.306   39.177   14.945 25.11524 25.21311 
1 1 1    4   29   14 o  215.096   10.481  7220.75  688.131  8382.43  1018.32  6244.48  933.528  228.945   14.649  196.829   15.669 32.11559 21.45021 
1 1 1    4   29   15 o   95.332   10.224  1432.87  292.842  1823.34  518.425  1249.90  354.882  105.157   16.711   87.850   13.680 17.30711 21.59668 
1 1 1    4   29   16 o   84.279   5.7699  1096.95  147.531  1096.95  147.531   0.0000   0.0000   84.279   5.7699  ?   ?  0.000000 5.769892 
1 1 1    4   29   17 o  115.108   5.3365  2035.28  187.491  2035.28  187.491   0.0000   0.0000  115.108   5.3365  ?   ?  0.000000 5.336523 
1 1 1    4   29   18 o   42.383   17.795   91.363  389.201   91.363  389.201   0.0000   0.0000   42.383   17.795  ?   ?  0.000000 17.79453 
1 1 1    4   29   19 o   43.188   17.941  122.553  389.500  122.553  389.500   0.0000   0.0000   43.188   17.941  ?   ?  0.000000 17.94079 
1 1 1    4   29   20 o   99.254   5.3690  1519.15  162.046  1519.15  162.046   0.0000   0.0000   99.254   5.3690  ?   ?  0.000000 5.368997 
1 1 1    4   29   23 o   92.181   5.5092  1313.39  154.297  1313.39  154.297   0.0000   0.0000   92.181   5.5092  ?   ?  0.000000 5.509241 
1 1 1    4   30    1 o   87.648   17.790  1290.88  459.652  1290.88  459.652   0.0000   0.0000   87.648   17.790  ?   ?  0.000000 17.78974 
1 1 1    4   30    2 f  157.391   5.7793  3808.19  277.634  3808.19  277.634   0.0000   0.0000  157.391   5.7793  ?   ?  0.000000 5.779325 
1 1 1    4   30    3 o   75.059   19.173  963.082  440.832  963.082  440.832   0.0000   0.0000   75.059   19.173  ?   ?  0.000000 19.17301 
1 1 1    4   30    4 o   56.788   19.652  503.950  414.925  503.950  414.925   0.0000   0.0000   56.788   19.652  ?   ?  0.000000 19.65232 
1 1 1    4   30    5 o  160.476   11.027  4054.89  536.838  4313.63  726.621  3743.91  796.602  163.628   14.706  150.627   17.662 13.00102 22.98304 
1 1 1    4   30    6 o  179.367   10.798  5056.91  588.424  5055.86  826.930  5057.98  837.485  176.683   15.490  176.581   15.703 0.1021576 22.05737 
1 1 1    4   30    7 o   87.956   5.4371  1193.15  145.250  1157.50  152.070  1564.07  490.510   86.566   5.7889   96.791   17.235 -10.22568 18.18125 
1 1 1    4   30    8 o  142.801   10.355  3205.94  448.253  3286.79  642.904  3129.45  625.313  142.361   15.023  138.899   14.987 3.461411 21.22011 
1 1 1    4   30    9 f  157.922   15.222  4048.00  724.658  4048.00  724.658   0.0000   0.0000  157.922   15.222  ?   ?  0.000000 15.22244 
1 1 1    4   30   10 o   72.896   14.930  882.351  321.011  1083.38  444.552  663.317  464.032   79.506   18.643   63.040   20.786 16.46655 27.92118 
1 1 1    4   30   11 o  151.313   13.840  3688.58  632.093  3688.58  632.093   0.0000   0.0000  151.313   13.840  ?   ?  0.000000 13.83962 
1 1 1    4   30   13 o  128.482   15.632  2714.80  600.378  2714.80  600.378   0.0000   0.0000  128.482   15.632  ?   ?  0.000000 15.63183 
1 1 1    4   30   14 o   81.155   19.298  1146.51  471.037  1146.51  471.037   0.0000   0.0000   81.155   19.298  ?   ?  0.000000 19.29829 
1 1 1    4   30   15 f  127.018   13.705  2619.44  522.910  2619.44  522.910   0.0000   0.0000  127.018   13.705  ?   ?  0.000000 13.70508 
1 1 1    4   30   16 o  134.785   5.5678  2798.08  229.057  2798.08  229.057   0.0000   0.0000  134.785   5.5678  ?   ?  0.000000 5.567816 
1 1 1    4   30   17 o  128.641   15.602  2745.00  600.065  2745.00  600.065   0.0000   0.0000  128.641   15.602  ?   ?  0.000000 15.60198 
1 1 1    4   30   18 o   44.194   17.909  192.190  375.973  192.190  375.973   0.0000   0.0000   44.194   17.909  ?   ?  0.000000 17.90945 
1 1 1    4   30   19 o   40.889   8.1633  269.567   98.312  269.567   98.312   0.0000   0.0000   40.889   8.1633  ?   ?  0.000000 8.163341 
1 1 1    4   31    0 o   35.294   20.534  250.677  364.494  250.677  364.494  250.677  364.494   35.294   20.534   35.294   20.534 0.000000 0.000000 
1 1 1    4   31    1 o   44.509   15.607  298.763  262.081  103.290  362.504  512.821  379.347   41.174   17.223   55.848   18.803 -14.67391 25.49884 
1 1 1    4   31    2 o  119.731   10.879  2281.45  393.233  1937.84  524.210  2723.62  594.660  107.461   16.510  128.350   15.493 -20.88834 22.64111 
1 1 1    4   31    3 o  173.475   5.5429  4634.99  293.487  4663.86  317.547  4465.84  768.624  173.883   5.9832  164.676   15.473 9.206497 16.58999 
1 1 1    4   31    4 o  152.131   10.302  3660.45  475.535  4090.48  673.052  3231.81  671.965  158.533   14.055  139.463   16.081 19.06963 21.35729 
1 1 1    4   31    5 o   56.776   15.796  546.432  283.732  826.683  401.240  266.132  401.275   68.794   18.644   47.480   18.748 21.31400 26.43997 
1 1 1    4   31    6 o  108.162   11.043  1869.67  359.442  1851.31  501.898  1889.00  515.010  105.043   16.173  105.963   16.458 -0.9201431 23.07434 
1 1 1    4   31    7 o  202.227   11.311  6509.90  695.356  6012.27  964.084  7049.46  1003.89  189.667   16.828  206.230   16.075 -16.56282 23.27250 
1 1 1    4   31    8 o  270.958   7.5047 11406.38  620.658 11356.10  679.845 11658.00  1520.88  269.859   8.2538  260.908   19.234 8.951294 20.92988 
1 1 1    4   31    9 o   79.975   18.820  1124.70  451.733  1124.70  451.733   0.0000   0.0000   79.975   18.820  ?   ?  0.000000 18.81952 
1 1 1    4   31   10 o  172.523   15.507  4935.60  807.831  4935.60  807.831   0.0000   0.0000  172.523   15.507  ?   ?  0.000000 15.50669 
1 1 1    4   31   11 o   50.924   16.719  428.108  300.334  428.108  300.334   0.0000   0.0000   50.924   16.719  ?   ?  0.000000 16.71894 
1 1 1    4   31   12 o  122.527   5.3757  2314.27  201.042  2314.27  201.042   0.0000   0.0000  122.527   5.3757  ?   ?  0.000000 5.375721 
1 1 1    4   31   13 o  148.238   15.290  3662.16  681.883  3662.16  681.883   0.0000   0.0000  148.238   15.290  ?   ?  0.000000 15.29023 
1 1 1    4   31   14 o  120.893   15.832  2464.62  570.157  2464.62  570.157   0.0000   0.0000  120.893   15.832  ?   ?  0.000000 15.83217 
1 1 1    4   31   15 o   93.611   5.4071  1356.47  153.833  1356.47  153.833   0.0000   0.0000   93.611   5.4071  ?   ?  0.000000 5.407060 
1 1 1    4   32    0 o   40.272   21.588  382.855  364.381  382.855  364.381  382.855  364.381   40.272   21.588   40.272   21.588 0.000000 0.000000 
1 1 1    4   32    1 o  105.829   10.614  1800.29  338.228  1800.21  476.105  1800.38  480.579  102.930   15.647  102.822   15.820 0.1076126 22.25125 
1 1 1    4   32    2 o  110.338   10.478  1953.47  348.653  2006.33  492.184  1900.22  493.961  109.033   15.203  105.681   15.799 3.351547 21.92557 
1 1 1    4   32    3 o  125.752   10.200  2527.27  388.138  2797.72  549.347  2257.67  548.474  129.794   14.093  115.127   16.045 14.66741 21.35530 
1 1 1    4   32    4 o   96.627   4.8674  1441.93  143.092  1465.39  150.883  1232.31  451.114   97.357   5.0953   83.239   18.258 14.11762 18.95574 
1 1 1    4   32    5 o   45.632   16.276  323.680  286.127  480.886  370.809   92.328  449.835   53.521   18.575   43.642   18.754 9.878353 26.39603 
1 1 1    4   32    6 o   70.638   13.908  843.990  289.183  883.107  404.798  803.219  413.266   69.992   18.622   66.548   19.251 3.444206 26.78396 
1 1 1    4   32    7 o  111.444   15.551  2110.83  514.567  2110.83  514.567   0.0000   0.0000  111.444   15.551  ?   ?  0.000000 15.55127 
1 1 1    4   32    8 o   69.008   5.7080  741.432  119.146  741.432  119.146   0.0000   0.0000   69.008   5.7080  ?   ?  0.000000 5.707985 
1 1 1    4   32    9 o   49.778   18.557  382.490  377.941  382.490  377.941   0.0000   0.0000   49.778   18.557  ?   ?  0.000000 18.55692 
1 1 1    4   32   10 o  111.398   10.987  2008.04  368.718  2058.21  506.987  1951.70  537.217  109.816   15.561  105.668   17.252 4.148643 23.23322 
1 1 1    4   32   11 o   68.569   19.148  861.641  416.099  861.641  416.099   0.0000   0.0000   68.569   19.148  ?   ?  0.000000 19.14751 
1 1 1    5    0    1 o  171.731   3.9075  4508.51  204.578  4508.51  204.578  4508.51  204.578  171.731   3.9075  171.731   3.9075 0.000000 0.000000 
1 1 1    5    0    2 o  483.188   8.9806 35700.90  1323.43 35700.90  1323.43 35700.90  1323.43  483.188   8.9806  483.188   8.9806 0.000000 0.000000 
1 1 1    5    0    3 o  157.616   3.8532  3798.75  185.117  3798.75  185.117  3798.75  185.117  157.616   3.8532  157.616   3.8532 0.000000 0.000000 
1 1 1    5    0    4 o  176.144   9.2277  4778.82  493.000  4778.82  493.000  4778.82  493.000  176.144   9.2277  176.144   9.2277 0.000000 0.000000 
1 1 1    5    0    5 o   83.903   3.9277  1081.60  100.084  1081.60  100.084  1081.60  100.084   83.903   3.9277   83.903   3.9277 0.000000 0.000000 
1 1 1    5    0    6 o   86.688   3.0677  1151.29   80.939  1151.29   80.939  1151.29   80.939   86.688   3.0677   86.688   3.0677 0.000000 0.000000 
1 1 1    5    0    7 o  279.529   7.5082 11959.42  639.540 11959.42  639.540 11959.42  639.540  279.529   7.5082  279.529   7.5082 0.000000 0.000000 
1 1 1    5    0    8 o  263.957   5.5141 10651.29  443.808 10651.29  443.808 10651.29  443.808  263.957   5.5141  263.957   5.5141 0.000000 0.000000 
1 1 1    5    0    9 o  324.046   9.2820 16083.57  916.345 16083.57  916.345 16083.57  916.345  324.046   9.2820  324.046   9.2820 0.000000 0.000000 
1 1 1    5    0   10 o  456.582   13.185 31969.06  1833.96 31969.06  1833.96 31969.06  1833.96  456.582   13.185  456.582   13.185 0.000000 0.000000 
1 1 1    5    0   11 o  224.982   4.8994  7738.06  336.081  7738.06  336.081  7738.06  336.081  224.982   4.8994  224.982   4.8994 0.000000 0.000000 
1 1 1    5    0   12 o  323.991   6.5483 16047.42  646.960 16047.42  646.960 16047.42  646.960  323.991   6.5483  323.991   6.5483 0.000000 0.000000 
1 1 1    5    0   13 o  261.966   7.7950 10507.77  622.023 10507.77  622.023 10507.77  622.023  261.966   7.7950  261.966   7.7950 0.000000 0.000000 
1 1 1    5    0   14 o  527.642   13.797 42651.97  2218.62 42651.97  2218.62 42651.97  2218.62  527.642   13.797  527.642   13.797 0.000000 0.000000 
1 1 1    5    0   15 o  133.279   3.7424  2717.61  151.969  2717.61  151.969  2717.61  151.969  133.279   3.7424  133.279   3.7424 0.000000 0.000000 
1 1 1    5    0   16 f  472.369   8.6760 34106.22  1249.93 34106.22  1249.93 34106.22  1249.93  472.369   8.6760  472.369   8.6760 0.000000 0.000000 
1 1 1    5    0   17 o   49.437   4.8917  383.879   72.153  383.879   72.153  383.879   72.153   49.437   4.8917   49.437   4.8917 0.000000 0.000000 
1 1 1    5    0   18 o  229.102   5.1328  8023.69  358.516  8023.69  358.516  8023.69  358.516  229.102   5.1328  229.102   5.1328 0.000000 0.000000 
1 1 1    5    0   19 o  120.382   4.5363  2221.30  166.140  2221.30  166.140  2221.30  166.140  120.382   4.5363  120.382   4.5363 0.000000 0.000000 
1 1 1    5    0   20 o  463.696   16.267 32987.56  2295.81 32987.56  2295.81 32987.56  2295.81  463.696   16.267  463.696   16.267 0.000000 0.000000 
1 1 1    5    0   21 o  467.356   7.5118 33370.91  1070.92 33370.91  1070.92 33370.91  1070.92  467.356   7.5118  467.356   7.5118 0.000000 0.000000 
1 1 1    5    0   22 o  611.261   9.0728 57088.46  1691.87 57088.46  1691.87 57088.46  1691.87  611.261   9.0728  611.261   9.0728 0.000000 0.000000 
1 1 1    5    0   23 o  287.174   7.4656 12615.69  653.373 12615.69  653.373 12615.69  653.373  287.174   7.4656  287.174   7.4656 0.000000 0.000000 
1 1 1    5    0   24 o  249.856   6.6280  9550.04  504.656  9550.04  504.656  9550.04  504.656  249.856   6.6280  249.856   6.6280 0.000000 0.000000 
1 1 1    5    0   25 o  511.973   9.5052 40067.74  1484.18 40067.74  1484.18 40067.74  1484.18  511.973   9.5052  511.973   9.5052 0.000000 0.000000 
1 1 1    5    0   26 o  776.918   14.160 92337.56  3355.21 92337.56  3355.21 92337.56  3355.21  776.918   14.160  776.918   14.160 0.000000 0.000000 
1 1 1    5    0   27 o  337.458   6.9028 17406.84  710.320 17406.84  710.320 17406.84  710.320  337.458   6.9028  337.458   6.9028 0.000000 0.000000 
1 1 1    5    0   28 f  202.424   5.4729  6268.41  337.581  6268.41  337.581  6268.41  337.581  202.424   5.4729  202.424   5.4729 0.000000 0.000000 
1 1 1    5    0   29 o  854.269   16.345 111724.80  4258.37 111724.80  4258.37 111724.80  4258.37  854.269   16.345  854.269   16.345 0.000000 0.000000 
1 1 1    5    0   30 o  124.016   3.0516  2351.58  115.350  2351.58  115.350  2351.58  115.350  124.016   3.0516  124.016   3.0516 0.000000 0.000000 
1 1 1    5    0   31 o  207.383   3.7144  6570.58  234.943  6570.58  234.943  6570.58  234.943  207.383   3.7144  207.383   3.7144 0.000000 0.000000 
1 1 1    5    0   32 f   95.593   3.3835  1399.95   98.441  1399.95   98.441  1399.95   98.441   95.593   3.3835   95.593   3.3835 0.000000 0.000000 
1 1 1    5    0   33 o  422.281   7.9092 27260.91  1018.61 27260.91  1018.61 27260.91  1018.61  422.281   7.9092  422.281   7.9092 0.000000 0.000000 
1 1 1    5    0   34 o  276.390   5.9796 11679.85  503.910 11679.85  503.910 11679.85  503.910  276.390   5.9796  276.390   5.9796 0.000000 0.000000 
1 1 1    5    0   35 o  516.736   13.063 40932.59  2057.28 40932.59  2057.28 40932.59  2057.28  516.736   13.063  516.736   13.063 0.000000 0.000000 
1 1 1    5    0   36 o   51.575   6.6590  426.106  100.015  426.106  100.015  426.106  100.015   51.575   6.6590   51.575   6.6590 0.000000 0.000000 
1 1 1    5    0   37 o  140.855   3.8313  3035.46  164.439  3035.46  164.439  3035.46  164.439  140.855   3.8313  140.855   3.8313 0.000000 0.000000 
1 1 1    5    0   38 o  185.831   3.5532  5277.47  201.372  5277.47  201.372  5277.47  201.372  185.831   3.5532  185.831   3.5532 0.000000 0.000000 
1 1 1    5    0   39 f   77.845   7.9320  954.695  183.982  954.695  183.982  954.695  183.982   77.845   7.9320   77.845   7.9320 0.000000 0.000000 
1 1 1    5    0   40 o  136.012   3.5374  2829.86  146.628  2829.86  146.628  2829.86  146.628  136.012   3.5374  136.012   3.5374 0.000000 0.000000 
1 1 1    5    0   41 o  119.324   4.3627  2182.80  158.410  2182.80  158.410  2182.80  158.410  119.324   4.3627  119.324   4.3627 0.000000 0.000000 
1 1 1    5    0   42 o  463.209   11.793 32946.23  1664.89 32946.23  1664.89 32946.23  1664.89  463.209   11.793  463.209   11.793 0.000000 0.000000 
1 1 1    5    0   43 o  352.945   6.8099 19060.26  732.987 19060.26  732.987 19060.26  732.987  352.945   6.8099  352.945   6.8099 0.000000 0.000000 
1 1 1    5    0   44 o   55.119   3.1571  468.352   52.715  468.352   52.715  468.352   52.715   55.119   3.1571   55.119   3.1571 0.000000 0.000000 
1 1 1    5    0   45 o   52.478   2.7364  423.803   43.557  423.803   43.557  423.803   43.557   52.478   2.7364   52.478   2.7364 0.000000 0.000000 
1 1 1    5    0   46 o  437.979   6.8073 29344.90  909.515 29344.90  909.515 29344.90  909.515  437.979   6.8073  437.979   6.8073 0.000000 0.000000 
1 1 1    5    0   47 o   72.985   2.9132  817.054   64.662  817.054   64.662  817.054   64.662   72.985   2.9132   72.985   2.9132 0.000000 0.000000 
1 1 1    5    0   48 o  475.953   7.5003 34669.27  1088.97 34669.27  1088.97 34669.27  1088.97  475.953   7.5003  475.953   7.5003 0.000000 0.000000 
1 1 1    5    0   49 o  221.967   4.8322  7536.43  327.029  7536.43  327.029  7536.43  327.029  221.967   4.8322  221.967   4.8322 0.000000 0.000000 
1 1 1    5    0   50 o   58.590   6.1176  541.558  106.672  541.558  106.672  541.558  106.672   58.590   6.1176   58.590   6.1176 0.000000 0.000000 
1 1 1    5    0   51 o  191.559   5.7883  5623.05  337.733  5623.05  337.733  5623.05  337.733  191.559   5.7883  191.559   5.7883 0.000000 0.000000 
1 1 1    5    0   52 o  185.335   6.3105  5269.38  356.038  5269.38  356.038  5269.38  356.038  185.335   6.3105  185.335   6.3105 0.000000 0.000000 
1 1 1    5    0   53 o  253.730   7.7526  9880.09  599.128  9880.09  599.128  9880.09  599.128  253.730   7.7526  253.730   7.7526 0.000000 0.000000 
1 1 1    5    0   54 o  203.151   6.3306  6329.45  391.675  6329.45  391.675  6329.45  391.675  203.151   6.3306  203.151   6.3306 0.000000 0.000000 
1 1 1    5    0   55 o  202.820   5.8042  6304.96  358.646  6304.96  358.646  6304.96  358.646  202.820   5.8042  202.820   5.8042 0.000000 0.000000 
1 1 1    5    0   56 o   9.8320   6.1759   7.2051   38.716   7.2051   38.716   7.2051   38.716   9.8320   6.1759   9.8320   6.1759 0.000000 0.000000 
1 1 1    5    0   57 o   35.551   6.2128  210.097   61.253  210.097   61.253  210.097   61.253   35.551   6.2128   35.551   6.2128 0.000000 0.000000 
1 1 1    5    0   58 o  112.332   3.0343  1931.31  103.863  1931.31  103.863  1931.31  103.863  112.332   3.0343  112.332   3.0343 -0.000000 0.000000 
1 1 1    5    0   59 o  111.611   2.6972  1905.65   91.764  1905.65   91.764  1905.65   91.764  111.611   2.6972  111.611   2.6972 -0.000000 0.000000 
1 1 1    5    0   60 o  313.289   7.6760 15096.56  733.008 15096.56  733.008 15096.56  733.008  313.289   7.6760  313.289   7.6760 0.000000 0.000000 
1 1 1    5    0   61 o  109.063   3.8744  1825.35  128.603  1825.35  128.603  1825.35  128.603  109.063   3.8744  109.063   3.8744 -0.000000 0.000000 
1 1 1    5    0   62 o   39.263   22.667  332.252  438.833  332.252  438.833  332.252  438.833   39.263   22.667   39.263   22.667 0.000000 0.000000 
1 1 1    5    0   63 o   19.419   10.302   84.369   82.209   84.369   82.209   84.369   82.209   19.419   10.302   19.419   10.302 -0.000000 0.000000 
1 1 1    5    1    0 o  280.840   5.8369 12057.06  499.849 12057.06  499.849 12057.06  499.849  280.840   5.8369  280.840   5.8369 -0.000000 0.000000 
1 1 1    5    1    1 o  509.071   7.8107 39605.59  1213.62 41246.34  2039.82 38706.55  1509.94  518.879   12.880  503.052   9.8340 15.82742 16.20483 
1 1 1    5    1    2 o  559.555   16.551 48090.98  2826.73 50472.10  3997.99 45710.78  3997.22  571.563   22.917  543.587   24.092 27.97595 33.25082 
1 1 1    5    1    3 o  102.395   2.4883  1600.34   77.767  1435.14  127.023  1699.38   98.354   96.952   4.2925  105.512   3.0540 -8.560303 5.268069 
1 1 1    5    1    4 f  597.893   10.656 54708.20  1944.60 55664.74  2750.07 53751.63  2750.10  602.278   14.960  591.779   15.225 10.49847 21.34516 
1 1 1    5    1    5 o  545.944   8.4189 45569.05  1402.88 47905.58  2284.01 44153.57  1777.73  558.993   13.387  537.077   10.845 21.91516 17.22816 
1 1 1    5    1    6 o  484.846   14.467 36072.77  2140.94 36525.17  3027.98 35620.51  3027.51  486.564   20.389  480.435   20.646 6.129303 29.01660 
1 1 1    5    1    7 o  266.456   6.8730 10848.96  558.969 10674.17  605.375 11859.69  1455.73  264.268   7.5052  277.128   17.296 -12.86023 18.85459 
1 1 1    5    1    8 o  410.613   7.8321 25773.69  981.587 24735.18  1459.37 26631.68  1326.48  401.817   11.899  417.124   10.419 -15.30664 15.81592 
1 1 1    5    1    9 o  462.150   9.2400 32670.49  1303.39 32658.18  1760.53 32685.44  1938.90  461.622   12.495  461.608   13.761 0.1431274E-01 18.58777 
1 1 1    5    1   10 o  675.103   14.572 69945.44  3002.69 70353.13  5500.99 69772.41  3583.65  672.610   26.795  673.457   17.434 -0.8469849 31.96782 
1 1 1    5    1   11 o  538.303   11.383 44364.22  1870.18 44213.14  2004.12 45382.52  5202.98  537.254   12.222  537.730   31.843 -0.4762573 34.10754 
1 1 1    5    1   12 o  386.019   5.6387 22757.19  664.360 23201.70  851.613 22066.05  1061.91  389.684   7.1600  379.886   9.1583 9.797699 11.62498 
1 1 1    5    1   13 o  392.584   8.8142 23558.88  1056.16 23476.25  2932.66 23571.20  1132.13  388.957   24.832  392.639   9.4468 -3.682129 26.56841 
1 1 1    5    1   14 o  449.123   9.0753 30830.34  1244.06 29639.46  1496.13 33498.77  2239.56  440.194   11.135  467.449   15.697 -27.25473 19.24543 
1 1 1    5    1   15 f  193.551   3.2014  5718.06  189.129  5910.88  328.172  5622.17  231.427  196.756   5.4646  191.912   3.9509 4.843201 6.743233 
1 1 1    5    1   16 o  545.310   8.2216 45425.49  1368.41 43935.25  2370.22 46170.55  1675.93  535.739   14.495  549.636   9.9899 -13.89703 17.60408 
1 1 1    5    1   17 o  338.347   4.4253 17475.36  457.002 16853.73  661.359 18043.42  632.222  332.223   6.5221  343.763   6.0255 -11.54013 8.879469 
1 1 1    5    1   18 o  100.618   2.6242  1545.18   80.592  1451.29  114.431  1637.58  113.523   97.509   3.8449  103.579   3.5908 -6.070374 5.260927 
1 1 1    5    1   19 o  323.393   5.7671 15967.13  569.257 15444.53  804.749 16490.52  805.352  317.988   8.2915  328.588   8.0300 -10.60010 11.54255 
1 1 1    5    1   20 o  805.771   15.395 99367.92  3786.28 102439.20  7904.39 98453.38  4313.32  814.356   31.801  801.700   17.627 12.65631 36.35936 
1 1 1    5    1   21 o  759.629   11.635 88205.55  2697.59 86561.52  3172.75 92494.65  5124.64  752.266   13.818  776.334   21.627 -24.06750 25.66454 
1 1 1    5    1   22 o  761.564   9.8359 88615.84  2286.32 86735.00  4368.50 89325.38  2683.14  752.227   19.027  764.442   11.500 -12.21503 22.23196 
1 1 1    5    1   23 o  563.158   7.4627 48434.00  1282.76 47347.73  2392.52 48872.24  1519.65  556.310   14.090  565.623   8.8023 -9.312805 16.61382 
1 1 1    5    1   24 o  333.978   5.1783 17028.40  527.869 16116.17  888.806 17525.51  656.119  324.797   8.9656  338.789   6.3451 -13.99164 10.98369 
1 1 1    5    1   25 o  330.675   4.1810 16691.36  421.982 16639.83  631.682 16732.89  567.077  330.116   6.2692  331.056   5.6121 -0.9390564 8.414198 
1 1 1    5    1   26 o  488.799   6.4889 36483.77  968.097 36056.01  1338.80 36952.58  1401.55  485.794   9.0292  491.777   9.3373 -5.983704 12.98888 
1 1 1    5    1   27 o  296.897   5.4784 13458.10  496.453 13115.96  675.260 13860.59  732.397  293.043   7.5496  301.233   7.9658 -8.189850 10.97496 
1 1 1    5    1   28 o  410.657   7.1836 25755.73  900.403 25662.34  1273.46 25849.10  1273.26  409.755   10.182  411.246   10.144 -1.490723 14.37271 
1 1 1    5    1   29 o  295.086   4.3533 13292.62  392.088 12952.92  555.301 13630.35  553.695  291.247   6.2467  298.771   6.0718 -7.523834 8.711344 
1 1 1    5    1   30 o  438.032   5.3996 29295.50  721.916 30018.59  951.422 28314.24  1108.33  443.333   7.0311  430.489   8.4351 12.84409 10.98128 
1 1 1    5    1   31 o  369.991   5.1902 20901.13  586.130 21239.86  829.197 20562.87  828.628  372.893   7.2855  366.897   7.3994 5.996094 10.38410 
1 1 1    5    1   32 o  954.545   15.768 139705.41  4594.12 142506.00 11454.96 139168.50  5015.13  952.472   39.403  952.271   17.255 0.2011719 43.01492 
1 1 1    5    1   33 f  237.133   2.9828  8583.29  215.887  8527.69  305.630  8638.67  304.991  236.341   4.2368  237.874   4.2007 -1.533630 5.966290 
1 1 1    5    1   34 o  246.386   3.2909  9266.96  247.485  9655.72  515.942  9150.77  282.052  251.393   6.7240  244.826   3.7745 6.566696 7.710989 
1 1 1    5    1   35 o  510.139   7.9653 39790.91  1240.24 43886.73  4840.15 39503.09  1283.08  528.370   30.137  508.253   8.2710 20.11697 31.25181 
1 1 1    5    1   36 o  308.483   5.1180 14536.07  481.890 14731.58  610.112 14211.82  785.714  310.467   6.4384  304.782   8.4461 5.685608 10.62027 
1 1 1    5    1   37 o  276.590   4.4467 11684.43  375.397 12249.24  1123.85 11613.50  398.272  282.337   13.041  275.734   4.7323 6.602875 13.87343 
1 1 1    5    1   38 f   87.235   2.0916  1161.59   55.690  1147.58   82.372  1173.38   75.582   86.697   3.1129   87.669   2.8246 -0.9723663 4.203346 
1 1 1    5    1   39 o  389.556   5.9180 23199.40  703.658 23911.49  1092.78 22695.03  919.696  395.033   9.0632  385.051   7.8255 9.981964 11.97414 
1 1 1    5    1   40 o   74.007   3.9940  838.992   89.886  816.591   98.914  945.171  215.348   72.975   4.4623   77.987   9.2258 -5.012009 10.24829 
1 1 1    5    1   41 o  289.159   3.7066 12770.07  327.134 12876.88  424.996 12614.76  512.457  290.290   4.7966  287.231   5.8453 3.059204 7.561445 
1 1 1    5    1   42 o  242.796   3.5009  9002.93  259.439  8523.01  494.376  9185.33  304.779  235.992   6.8634  245.211   4.0722 -9.219116 7.980574 
1 1 1    5    1   43 o   95.231   2.7878  1384.69   81.033  1378.76  101.682  1395.03  134.144   95.013   3.5063   95.545   4.5999 -0.5324020 5.783825 
1 1 1    5    1   44 o  244.819   2.9615  9152.23  221.299  9172.56  312.601  9131.80  313.330  245.020   4.1799  244.474   4.1991 0.5462646 5.924865 
1 1 1    5    1   45 f  370.165   4.7995 20944.11  542.259 21078.10  766.687 20809.98  767.054  371.059   6.7695  368.683   6.8164 2.375488 9.606762 
1 1 1    5    1   46 o  282.691   4.3341 12211.94  373.959 12197.68  470.632 12236.36  615.929  282.417   5.4598  282.655   7.1393 -0.2377930 8.987706 
1 1 1    5    1   47 o   98.104   2.6196  1469.51   78.441  1566.68  111.179  1373.20  110.686  101.273   3.5968   94.808   3.8250 6.465012 5.250434 
1 1 1    5    1   48 o  118.949   3.2358  2160.91  117.480  2181.38  175.778  2144.37  157.934  119.456   4.8210  118.456   4.3682 0.9999313 6.505637 
1 1 1    5    1   49 o  254.412   3.7778  9888.21  293.353  9865.42  427.746  9908.44  403.081  253.968   5.5181  254.554   5.1880 -0.5862579 7.573925 
1 1 1    5    1   50 o  430.164   8.0976 28380.41  1063.18 27169.46  1579.16 29384.36  1437.87  419.514   12.333  436.868   10.783 -17.35410 16.38225 
1 1 1    5    1   51 o  430.617   9.8636 28519.10  1296.42 27729.28  2384.07 28850.71  1544.78  420.500   18.575  432.433   11.704 -11.93378 21.95506 
1 1 1    5    1   52 o   46.927   6.6402  343.951   92.453  343.951   92.453   0.0000   0.0000   46.927   6.6402  ?   ?  0.000000 6.640207 
1 1 1    5    1   53 o  169.223   4.3552  4377.78  224.948  4371.50  309.889  4384.78  327.054  168.969   6.0087  169.195   6.3331 -0.2256470 8.729965 
1 1 1    5    1   54 o  142.726   3.7951  3113.24  165.328  3269.73  638.955  3102.01  171.157  144.135   14.731  142.461   3.9362 1.674042 15.24776 
1 1 1    5    1   55 o   94.275   3.1311  1357.80   90.098  1386.54  153.460  1342.68  111.299   95.026   5.3123   93.721   3.8908 1.304398 6.584701 
1 1 1    5    1   56 o  245.930   4.4122  9251.63  331.197  9661.17  454.656  8788.60  483.434  251.080   5.9327  239.351   6.6174 11.72870 8.887449 
1 1 1    5    1   57 o  106.330   2.1234  1726.47   68.914  1700.38   86.195  1772.70  114.734  105.505   2.6767  107.689   3.4906 -2.184486 4.398739 
1 1 1    5    1   58 o  166.019   2.3973  4209.96  121.479  4095.92  171.747  4324.13  171.847  163.680   3.4378  168.186   3.3476 -4.505600 4.798402 
1 1 1    5    1   59 o  224.026   3.1020  7671.92  212.112  7636.00  451.539  7682.10  240.272  222.842   6.6387  224.122   3.5124 -1.280533 7.510577 
1 1 1    5    1   60 o  118.981   2.6349  2163.43   95.687  1957.07  137.240  2358.65  133.482  113.064   3.9768  124.165   3.5221 -11.10139 5.312308 
1 1 1    5    1   61 o   99.910   4.5953  1530.77  140.132  1515.26  153.536  1608.15  342.931   99.221   5.0869  100.587   11.369 -1.366325 12.45552 
1 1 1    5    1   62 o  185.524   3.4897  5269.44  197.610  5149.52  323.701  5340.69  249.496  182.891   5.7987  186.604   4.3805 -3.712524 7.267355 
1 1 1    5    1   63 o  149.344   3.1802  3413.81  144.965  3534.66  180.307  3192.89  243.787  151.853   3.8902  143.999   5.5467 7.854477 6.774933 
1 1 1    5    2    1 o  571.373   11.036 49970.37  1924.67 48471.19  2722.26 51468.73  2721.52  561.850   15.874  579.067   15.398 -17.21661 22.11538 
1 1 1    5    2    2 o  304.792   6.1080 14190.41  568.222 14328.84  768.286 14023.25  844.250  306.161   8.2216  302.819   9.1342 3.341522 12.28936 
1 1 1    5    2    3 o  230.910   3.5136  8139.72  247.633  8154.63  359.365  8126.23  341.713  231.082   5.0951  230.686   4.8531 0.3957977 7.036553 
1 1 1    5    2    4 f  372.517   8.0831 21213.41  919.050 20538.11  1134.33 22503.71  1567.98  366.362   10.144  383.114   13.409 -16.75162 16.81376 
1 1 1    5    2    5 o  397.498   8.8156 24162.77  1069.56 25365.59  2104.62 23743.97  1241.87  406.148   16.977  393.888   10.330 12.25970 19.87303 
1 1 1    5    2    6 o  602.506   10.255 55556.65  1885.84 54785.52  2460.54 56654.57  2935.97  597.695   13.488  607.245   15.841 -9.549500 20.80476 
1 1 1    5    2    7 o  524.948   11.599 42209.36  1858.54 41306.29  2014.18 47384.39  4821.64  519.112   12.712  550.329   28.805 -31.21716 31.48536 
1 1 1    5    2    8 o  210.426   3.8164  6760.16  245.118  6824.21  424.282  6728.07  300.304  211.338   6.5775  209.904   4.6873 1.433228 8.076763 
1 1 1    5    2    9 o  199.227   7.8028  6067.33  474.478  5779.33  577.195  6667.53  833.255  194.107   9.7737  208.122   13.185 -14.01442 16.41279 
1 1 1    5    2   10 o  564.887   8.9545 48798.13  1543.91 48340.14  1860.35 49811.52  2767.30  561.960   10.846  569.460   15.921 -7.499390 19.26453 
1 1 1    5    2   11 o  183.933   4.0902  5165.10  229.624  5081.12  299.570  5284.73  357.541  182.404   5.3808  185.999   6.2979 -3.594940 8.283514 
1 1 1    5    2   12 o  132.682   3.2790  2687.27  132.791  2705.09  187.335  2669.27  188.259  133.106   4.6111  132.221   4.6649 0.8847961 6.559216 
1 1 1    5    2   13 f  696.538   23.427 74837.38  4980.63 73459.25  8622.33 75527.49  6101.54  681.162   41.673  697.908   28.643 -16.74652 50.56731 
1 1 1    5    2   14 f  482.098   9.4427 35524.88  1389.47 36618.21  2501.86 35037.25  1670.84  488.643   16.775  478.604   11.438 10.03894 20.30303 
1 1 1    5    2   15 o  754.285   11.699 87012.75  2693.30 82492.82  6975.17 87804.72  2919.74  729.661   31.320  757.577   12.627 -27.91620 33.76924 
1 1 1    5    2   16 o  243.460   3.8167  9047.60  283.618  9100.92  466.836  9016.41  357.068  244.134   6.2650  243.025   4.8137 1.108414 7.900758 
1 1 1    5    2   17 o  564.126   7.8108 48606.18  1344.90 50531.72  2211.23 47475.67  1694.31  574.818   12.603  557.386   9.9591 17.43250 16.06327 
1 1 1    5    2   18 o  200.086   3.1230  6110.44  190.724  6154.90  276.280  6069.95  263.615  200.799   4.5079  199.410   4.3312 1.388504 6.251392 
1 1 1    5    2   19 o  420.371   6.8669 26983.83  881.072 26915.10  989.674 27246.41  1934.54  419.804   7.7238  421.952   15.021 -2.148407 16.89038 
1 1 1    5    2   20 f  530.000   7.1063 42894.48  1149.57 41086.14  2143.69 43624.44  1361.97  518.294   13.551  534.429   8.3495 -16.13495 15.91670 
1 1 1    5    2   21 o  619.885   7.9659 58686.94  1507.18 56980.21  1873.59 61816.66  2537.14  610.667   10.052  635.789   13.074 -25.12152 16.49175 
1 1 1    5    2   22 o  630.607   8.4373 60741.26  1623.97 58724.34  2356.58 62565.27  2241.05  619.730   12.458  639.768   11.477 -20.03809 16.93884 
1 1 1    5    2   23 o  218.229   3.6161  7269.17  240.864  7090.61  386.035  7382.99  308.220  215.503   5.8689  219.920   4.5918 -4.416748 7.451718 
1 1 1    5    2   24 o  462.464   7.1008 32660.94  1002.31 32595.08  1284.63 32763.42  1602.44  461.900   9.1120  462.954   11.340 -1.054077 14.54759 
1 1 1    5    2   25 o  342.446   4.6777 17901.89  488.925 17756.98  675.957 18060.89  708.049  341.011   6.4943  343.909   6.7453 -2.898193 9.363526 
1 1 1    5    2   26 o  1087.52   14.166 180994.30  4702.19 185293.80  5571.57 170350.70  8766.16  1099.79   16.598  1051.10   27.324 48.69226 31.97041 
1 1 1    5    2   27 o   31.974   4.1973  158.748   39.972  148.518   47.737  182.749   73.121   30.757   5.2749   33.944   7.2763 -3.187366 8.987177 
1 1 1    5    2   28 o  664.815   8.6340 67525.45  1751.97 67333.87  2127.37 67929.27  3088.49  663.696   10.502  666.031   15.193 -2.335327 18.46894 
1 1 1    5    2   29 o  630.141   9.0875 60675.52  1747.83 62780.87  5118.09 60397.57  1859.62  638.012   26.282  628.642   9.6918 9.370361 28.01226 
1 1 1    5    2   30 o  698.321   9.1592 74522.70  1952.22 75026.57  3730.51 74332.67  2290.95  699.424   17.475  697.250   10.765 2.174622 20.52435 
1 1 1    5    2   31 o  219.891   2.8160  7380.10  188.999  7373.45  328.886  7383.38  230.941  219.761   4.9032  219.932   3.4403 -0.1713257 5.989712 
1 1 1    5    2   32 o   77.110   2.2021  907.501   51.828  933.465   79.422  888.245   68.398   78.200   3.3275   76.285   2.9376 1.915848 4.438638 
1 1 1    5    2   33 o  742.555   7.9163 84263.70  1794.18 83927.70  2537.37 84599.70  2537.34  740.559   11.226  743.526   11.181 -2.966980 15.84357 
1 1 1    5    2   34 o  105.736   2.2292  1706.42   71.942  1639.07  111.534  1754.40   94.146  103.618   3.5266  107.207   2.8771 -3.589333 4.551345 
1 1 1    5    2   35 o  256.528   4.3248 10048.62  338.622  9591.78  604.586 10257.43  408.751  250.461   7.9086  259.148   5.1677 -8.686859 9.447268 
1 1 1    5    2   36 o  165.202   3.3217  4166.70  167.492  4058.69  275.266  4230.20  211.059  162.990   5.5332  166.438   4.1547 -3.448044 6.919347 
1 1 1    5    2   37 o  284.039   3.6738 12319.31  318.501 12294.63  419.137 12353.04  489.969  283.696   4.8404  284.320   5.6460 -0.6233215 7.436918 
1 1 1    5    2   38 o  381.162   4.9795 22197.44  579.308 22030.88  711.200 22525.83  998.645  379.616   6.1380  383.547   8.5305 -3.930634 10.50929 
1 1 1    5    2   39 o  150.652   6.6408  3471.30  305.361  3513.40  349.389  3335.13  628.374  151.514   7.5551  146.422   14.241 5.092697 16.12052 
1 1 1    5    2   40 o  221.150   3.5704  7468.87  241.002  7772.98  277.973  6548.28  483.633  225.586   4.0371  206.821   7.6613 18.76529 8.659944 
1 1 1    5    2   41 o  160.601   2.9725  3938.23  145.711  3973.80  242.801  3918.21  182.160  161.254   4.9331  160.170   3.7261 1.084671 6.182191 
1 1 1    5    2   42 o  345.980   6.6484 18316.20  702.078 17971.66  884.244 18903.90  1154.85  342.431   8.4602  350.733   10.788 -8.301910 13.70956 
1 1 1    5    2   43 o  220.779   3.5817  7444.79  241.361  8036.14  400.493  7107.52  302.458  229.235   5.7240  215.663   4.5948 13.57191 7.340050 
1 1 1    5    2   44 o  239.345   3.1847  8748.40  232.657  9324.75  359.909  8334.67  304.936  247.000   4.7740  233.554   4.2776 13.44614 6.410051 
1 1 1    5    2   45 o  424.968   6.0988 27631.78  791.081 27437.38  997.001 27962.18  1299.79  423.146   7.7195  426.590   9.9827 -3.443298 12.61920 
1 1 1    5    2   46 o  178.605   2.6482  4870.67  144.363  4778.64  187.618  5004.23  226.024  176.878   3.4752  180.975   4.0918 -4.097168 5.368460 
1 1 1    5    2   47 o  401.676   5.3919 24674.13  661.054 24367.51  935.059 24980.51  934.685  398.746   7.6829  403.751   7.5846 -5.005981 10.79600 
1 1 1    5    2   48 o   69.376   5.7427  741.290  120.509  763.614  141.868  683.438  228.380   70.307   6.6917   65.610   11.840 4.697037 13.60012 
1 1 1    5    2   49 o  217.570   3.3624  7230.16  223.291  7446.84  326.671  7040.14  305.912  220.707   4.8493  214.609   4.6702 6.097931 6.732460 
1 1 1    5    2   50 o  361.883   5.6429 20034.65  623.287 20480.94  775.075 19217.82  1048.58  365.663   6.9446  353.585   9.7161 12.07755 11.94276 
1 1 1    5    2   51 o  207.876   3.6939  6601.95  234.371  6730.00  382.085  6524.70  296.758  209.697   5.9697  206.585   4.7064 3.111374 7.601765 
1 1 1    5    2   52 o  315.199   6.1533 15211.18  591.981 15121.70  618.896 16173.41  2029.48  314.220   6.4531  318.983   20.962 -4.763519 21.93239 
1 1 1    5    2   53 o   94.519   2.6930  1364.32   77.691  1372.03  110.450  1356.77  109.303   94.754   3.8190   94.226   3.8005 0.5276260 5.387846 
1 1 1    5    2   54 o  300.388   4.2901 13795.89  393.337 13203.00  785.052 13994.61  454.500  293.008   8.7781  302.456   4.9233 -9.448303 10.06451 
1 1 1    5    2   55 o  167.702   3.9658  4299.38  202.992  4131.58  291.768  4456.81  282.601  164.234   5.8205  170.617   5.4267 -6.382797 7.957814 
1 1 1    5    2   56 o   97.254   3.5780  1445.69  106.211  1347.81  160.708  1521.59  141.524   93.628   5.6501   99.722   4.6497 -6.093903 7.317318 
1 1 1    5    2   57 o  117.809   2.9532  2120.56  106.189  2211.27  134.994  1973.34  171.983  120.263   3.6776  113.524   4.9634 6.739037 6.177413 
1 1 1    5    2   58 o   74.374   2.7778  845.164   63.057  889.679  100.204  815.978   81.137   76.121   4.3307   73.048   3.6391 3.073441 5.656716 
1 1 1    5    2   59 o  125.335   2.6304  2400.25  100.628  2467.68  202.202  2378.06  116.015  126.858   5.2222  124.728   3.0474 2.129478 6.046317 
1 1 1    5    2   60 o  153.731   2.7898  3612.40  130.904  3529.60  251.677  3643.11  153.268  151.625   5.4382  154.339   3.2535 -2.714676 6.337175 
1 1 1    5    2   61 o  101.959   2.7231  1589.25   84.745  1629.72  106.996  1521.13  138.818  103.200   3.3968   99.595   4.5666 3.605339 5.691413 
1 1 1    5    2   62 f  179.305   2.9288  4917.64  160.289  4873.66  188.938  5030.56  302.772  178.421   3.4694  180.840   5.4853 -2.419998 6.490441 
1 1 1    5    2   63 o  217.980   4.7104  7298.79  313.396  7462.01  426.289  7106.82  462.317  219.819   6.3536  214.223   7.0706 5.595764 9.505904 
1 1 1    5    3    2 o  120.008   3.6228  2198.68  132.702  2239.10  154.086  2082.60  261.101  121.100   4.1687  116.501   7.3809 4.598640 8.476808 
1 1 1    5    3    3 o  434.670   7.9430 28882.43  1053.80 28409.16  1160.05 31116.87  2520.61  431.010   8.8180  449.535   18.371 -18.52585 20.37738 
1 1 1    5    3    4 o  667.109   13.681 68259.45  2785.63 69164.27  3236.97 65676.47  5469.11  670.953   15.806  649.392   27.593 21.56116 31.79921 
1 1 1    5    3    5 o  477.631   9.3931 34899.00  1369.37 34518.02  1559.95 36178.63  2858.94  474.839   10.763  484.434   19.335 -9.595673 22.12935 
1 1 1    5    3    6 o  392.034   6.8583 23485.13  820.652 25919.86  1713.79 22760.74  934.796  411.072   13.659  385.857   7.9373 25.21567 15.79783 
1 1 1    5    3    7 o  249.077   5.1171  9474.64  389.024  9277.95  577.497  9638.04  526.376  246.368   7.6798  251.144   6.8668 -4.775772 10.30205 
1 1 1    5    3    8 o  434.281   8.1511 28833.93  1080.44 27541.27  1605.98 29902.76  1460.33  423.936   12.411  441.956   10.826 -18.01932 16.46938 
1 1 1    5    3    9 o  633.708   11.738 61503.56  2270.30 62447.56  3066.77 60358.93  3376.98  637.651   15.757  626.388   17.663 11.26324 23.67019 
1 1 1    5    3   10 o  762.847   13.946 89226.15  3247.21 87972.38  4386.38 90746.42  4830.12  755.958   19.010  767.197   20.627 -11.23969 28.05113 
1 1 1    5    3   11 o  631.498   11.887 61050.55  2291.18 62115.85  3407.91 60171.86  3095.07  635.810   17.561  626.099   16.196 9.710449 23.88922 
1 1 1    5    3   12 o  406.908   7.3288 25296.14  910.221 25708.88  1287.20 24883.33  1287.30  409.998   10.286  403.347   10.456 6.650970 14.66759 
1 1 1    5    3   13 o  266.480   7.4285 10848.11  604.205   0.0000   0.0000 10848.11  604.205  ?   ?   266.480   7.4285 0.000000 7.428516 
1 1 1    5    3   14 o  194.863   4.9782  5797.22  296.088  5764.35  816.167  5802.20  317.733  193.551   13.908  194.941   5.3400 -1.390076 14.89816 
1 1 1    5    3   15 o  286.189   4.6724 12503.51  408.139 12497.95  479.230 12518.21  778.739  286.108   5.4878  286.238   8.9135 -0.1293640 10.46737 
1 1 1    5    3   16 o  508.960   8.1906 39568.50  1272.38 40525.63  1799.53 38611.60  1799.31  514.854   11.451  502.527   11.731 12.32751 16.39348 
1 1 1    5    3   17 o  464.041   6.7168 32881.60  951.343 32731.02  1254.66 33085.28  1459.19  462.877   8.8806  465.295   10.275 -2.418121 13.58063 
1 1 1    5    3   18 o  192.837   3.0407  5675.70  178.973  5505.96  265.808  5816.47  242.066  189.918   4.5855  195.205   4.0628 -5.287186 6.126412 
1 1 1    5    3   19 o  848.915   10.855 110137.30  2812.57 108283.40  5373.37 110836.90  3300.88  840.109   20.955  851.383   12.702 -11.27362 24.50463 
1 1 1    5    3   20 o  523.053   7.5380 41780.68  1203.42 41266.57  1587.01 42476.26  1845.98  519.690   10.005  527.152   11.473 -7.462341 15.22261 
1 1 1    5    3   21 o  620.998   8.5331 58904.96  1617.39 59407.96  2133.30 58224.96  2480.40  623.444   11.211  617.027   13.170 6.417297 17.29574 
1 1 1    5    3   22 o  807.145   16.196 99748.13  3990.08 102429.10  8328.67 98949.50  4545.69  813.581   33.540  803.503   18.535 10.07867 38.32042 
1 1 1    5    3   23 f  590.409   17.429 53404.87  3140.84 53273.11  4440.88 53536.74  4442.75  588.528   24.722  589.991   24.671 -1.463806 34.92630 
1 1 1    5    3   24 o  173.660   2.9163  4602.93  154.576  4580.19  218.924  4625.54  218.285  173.220   4.1407  174.076   4.1083 -0.8557892 5.833021 
1 1 1    5    3   25 o  669.237   8.6149 68420.47  1759.74 68100.56  2433.87 68770.89  2547.31  667.359   11.949  670.581   12.446 -3.221252 17.25288 
1 1 1    5    3   26 o  460.102   8.2723 32338.00  1161.71 32813.76  1643.53 31862.95  1642.30  463.258   11.624  456.484   11.787 6.773285 16.55425 
1 1 1    5    3   27 o  513.768   10.008 40341.58  1569.44   0.0000   0.0000 40341.58  1569.44  ?   ?   513.768   10.008 0.000000 10.00833 
1 1 1    5    3   28 o  355.501   7.3122 19302.70  793.430 18947.05  1359.85 19486.26  976.966  351.930   12.660  357.116   8.9630 -5.186127 15.51128 
1 1 1    5    3   29 o  160.606   2.9672  3937.04  145.456  3759.23  247.716  4030.61  179.697  156.915   5.1722  162.498   3.6231 -5.582535 6.314888 
1 1 1    5    3   30 o  306.100   4.0422 14303.16  377.660 14419.07  580.070 14217.89  497.558  307.282   6.1848  305.155   5.3420 2.126556 8.172453 
1 1 1    5    3   31 o  400.159   4.8275 24447.55  589.616 24208.35  792.429 24744.21  882.513  398.128   6.5211  402.478   7.1839 -4.349365 9.702245 
1 1 1    5    3   32 o  148.611   2.9630  3371.05  134.400  3512.96  222.133  3289.10  168.803  151.685   4.7979  146.786   3.7677 4.899536 6.100460 
1 1 1    5    3   33 o   40.344   4.9071  252.211   59.182  222.205   84.441  281.179   82.969   37.453   7.6453   42.397   6.6287 -4.943333 10.11881 
1 1 1    5    3   34 o  372.877   5.5069 21236.16  626.746 21865.66  1031.51 20867.75  789.113  378.109   8.9379  369.535   6.9963 8.574066 11.35052 
1 1 1    5    3   35 o  558.623   11.657 47831.85  1987.61 49352.46  2540.10 45430.34  3192.15  566.711   14.685  542.376   19.283 24.33459 24.23771 
1 1 1    5    3   36 f  170.891   2.7667  4458.11  144.311  4543.54  174.235  4271.46  257.538  172.510   3.3091  167.220   5.0459 5.290268 6.034138 
1 1 1    5    3   37 f  163.969   2.8608  4104.51  143.175  4227.29  184.918  3920.74  226.233  166.385   3.6412  160.211   4.6265 6.174362 5.887496 
1 1 1    5    3   38 o  178.417   3.3519  4860.61  182.534  5734.70  558.598  4756.12  193.136  193.439   9.4610  176.482   3.5855 16.95689 10.11763 
1 1 1    5    3   39 o  185.627   3.5690  5262.00  202.212  5262.00  202.212   0.0000   0.0000  185.627   3.5690  ?   ?  0.000000 3.569008 
1 1 1    5    3   40 o   91.900   2.5690  1289.35   72.059  1218.37  115.838  1334.16   92.034   89.307   4.2496   93.473   3.2258 -4.166649 5.335272 
1 1 1    5    3   41 o  135.008   2.3560  2782.55   97.083  2757.24  128.181  2816.60  148.681  134.376   3.1253  135.803   3.5870 -1.426651 4.757490 
1 1 1    5    3   42 o   95.870   2.6315  1403.25   77.003  1326.51   95.046  1549.83  131.361   93.200   3.3412  100.718   4.2731 -7.518356 5.424271 
1 1 1    5    3   43 o  155.931   2.1738  3711.77  103.457  3894.65  158.548  3576.16  136.529  159.696   3.2527  153.037   2.9229 6.658966 4.373051 
1 1 1    5    3   44 o  414.246   6.3254 26258.23  799.767 25992.91  995.760 26740.47  1342.46  411.836   7.9216  417.043   10.546 -5.207275 13.19010 
1 1 1    5    3   45 o   83.024   1.9834  1052.23   50.260  1014.66   80.523  1076.20   64.330   81.510   3.2366   83.957   2.5104 -2.447746 4.096059 
1 1 1    5    3   46 o  292.588   5.3922 13091.68  481.547 12660.68  680.618 13523.67  681.403  287.416   7.7585  297.089   7.5145 -9.673218 10.80100 
1 1 1    5    3   47 o  465.792   10.229 33359.88  1454.19 34211.48  2876.70 33067.57  1685.38  466.678   20.196  463.127   11.923 3.550995 23.45262 
1 1 1    5    3   48 o  252.753   3.7217  9759.28  287.116 10026.84  418.902  9522.22  394.302  256.056   5.3599  249.548   5.1768 6.508957 7.451701 
1 1 1    5    3   49 o  134.146   3.0215  2748.11  123.715  2845.74  154.136  2571.34  207.411  136.484   3.7000  129.671   5.2405 6.813278 6.415040 
1 1 1    5    3   50 o  543.588   6.6697 45250.02  1106.60 46282.73  1748.73 44560.29  1429.14  548.390   10.448  538.785   8.6904 9.605591 13.58953 
1 1 1    5    3   51 o  190.295   5.6148  5540.59  326.119  6240.64  624.107  5277.65  382.493  201.115   10.201  185.618   6.7513 15.49635 12.23233 
1 1 1    5    3   52 o   32.776   6.2687  169.987   60.426  171.639   61.333  115.366  352.716   32.929   6.3323   42.407   17.286 -9.477409 18.40948 
1 1 1    5    3   53 o  122.062   2.0427  2274.67   76.102  2352.00  117.153  2218.22  100.097  124.088   3.0932  120.520   2.7211 3.568436 4.119741 
1 1 1    5    3   54 o  111.503   3.1042  1899.25  105.645  1769.22  182.119  1965.19  129.697  107.358   5.5770  113.396   3.7473 -6.038803 6.719024 
1 1 1    5    3   55 o  102.268   3.0993  1597.82   96.742  1875.21  155.945  1424.28  123.344  110.718   4.6146   96.512   4.1872 14.20586 6.231157 
1 1 1    5    3   56 f  191.650   5.5549  5626.65  324.939  5619.04  375.690  5649.24  647.386  191.397   6.4310  190.626   11.176 0.7712250 12.89380 
1 1 1    5    3   57 o  163.290   3.8767  4077.57  193.213  4162.79  275.396  3994.97  271.143  164.818   5.4744  161.458   5.5020 3.359802 7.761527 
1 1 1    5    3   58 o  155.132   4.0369  3682.08  191.147  3548.68  285.482  3790.48  257.347  152.040   6.1518  157.246   5.3619 -5.205566 8.160583 
1 1 1    5    3   59 o  109.812   2.9307  1843.14   98.229  2230.46  195.837  1712.94  113.545  120.588   5.3208  105.827   3.5152 14.76080 6.377124 
1 1 1    5    3   60 o   18.330   6.4885   44.900   45.387   83.158  104.259   35.955   50.415   26.230   9.7529   17.915   6.7577 8.314796 11.86530 
1 1 1    5    3   61 o  138.032   2.5810  2912.31  108.741  2853.49  201.072  2936.63  129.276  136.361   4.8311  138.563   3.0567 -2.202393 5.716908 
1 1 1    5    3   62 o   56.501   5.2299  494.871   89.169  631.492  197.799  460.024   99.895   62.557   10.746   54.293   6.1358 8.263996 12.37475 
1 1 1    5    3   63 o  196.076   5.7882  5926.24  346.403  6118.59  380.703  5000.77  835.073  199.062   6.2658  173.979   15.902 25.08347 17.09153 
1 1 1    5    4    1 o  117.698   4.6547  2115.36  167.217  2115.36  167.217   0.0000   0.0000  117.698   4.6547  ?   ?  0.000000 4.654726 
1 1 1    5    4    2 o  642.335   26.995 64222.56  5292.51 63093.09  7484.38 65352.25  7485.11  628.832   39.189  640.535   38.464 -11.70337 54.91171 
1 1 1    5    4    3 f  696.581   29.382 75802.84  6247.06 76634.12  8834.32 74971.44  8835.03  690.956   42.090  682.995   42.593 7.961365 59.88149 
1 1 1    5    4    4 o  278.185   6.7803 11825.02  575.706 12033.41  1497.90 11788.90  623.605  279.066   17.677  277.729   7.3565 1.336365 19.14665 
1 1 1    5    4    5 o   84.025   2.9803  1077.73   76.433  1048.52  108.376  1106.64  107.813   82.756   4.3055   85.135   4.1490 -2.379211 5.979254 
1 1 1    5    4    6 o  205.833   6.0101  6472.01  377.582  6368.85  414.882  6969.57  911.162  204.163   6.6578  212.670   14.117 -8.507050 15.60834 
1 1 1    5    4    7 o   70.559   1.4852  759.820   31.985  887.893   42.615  594.601   48.403   76.272   1.8306   62.414   2.5408 13.85842 3.131545 
1 1 1    5    4    8 o  320.293   8.2243 15682.31  804.010 17752.56  1479.45 14814.62  957.793  340.208   14.247  311.174   10.084 29.03384 17.45526 
1 1 1    5    4    9 o  606.240   14.454 56363.37  2674.52 61497.33  4903.00 54188.63  3191.09  630.015   25.497  593.729   17.609 36.28613 30.98692 
1 1 1    5    4   10 o  202.247   6.3988  6247.92  395.002  6247.92  395.002   0.0000   0.0000  202.247   6.3988  ?   ?  0.000000 6.398829 
1 1 1    5    4   11 f  276.374   5.7240 11664.47  482.852 11574.60  683.004 11754.28  682.707  275.216   8.1308  277.347   8.0648 -2.130890 11.45209 
1 1 1    5    4   12 o  494.884   9.4808 37436.76  1432.07 36294.84  2130.17 38378.48  1934.46  486.771   14.337  500.753   12.657 -13.98184 19.12472 
1 1 1    5    4   13 o  267.005   6.4092 10887.21  522.323 11218.67  1445.16 10837.41  560.193  269.881   17.641  266.380   6.8900 3.500671 18.93871 
1 1 1    5    4   14 o  533.217   10.849 43465.50  1765.65 46405.02  3687.88 42591.32  2011.13  549.483   21.989  527.680   12.487 21.80286 25.28710 
1 1 1    5    4   15 o  293.305   4.6494 13132.71  416.227 12668.88  533.000 13857.65  666.347  288.049   6.0624  301.227   7.2475 -13.17865 9.448757 
1 1 1    5    4   16 o  356.170   5.7647 19368.23  626.692 18521.54  918.311 20106.28  857.376  348.203   8.6405  362.829   7.7420 -14.62573 11.60159 
1 1 1    5    4   17 o  521.125   7.9564 41477.78  1265.53 40337.59  1855.11 42470.29  1730.81  513.665   11.832  527.149   10.757 -13.48450 15.99134 
1 1 1    5    4   18 o  415.702   6.8416 26387.61  868.073 26362.04  1330.10 26406.58  1145.71  415.341   10.492  415.764   9.0284 -0.4230957 13.84187 
1 1 1    5    4   19 o  124.852   2.2436  2379.05   85.496  2476.04  123.686  2290.29  118.313  127.368   3.1816  122.497   3.1644 4.870590 4.487308 
1 1 1    5    4   20 o  658.605   9.1149 66263.43  1832.29 68153.16  2886.66 64988.33  2371.20  667.455   14.170  652.005   11.915 15.44983 18.51346 
1 1 1    5    4   21 o  559.293   10.989 47809.25  1875.88 51135.38  3376.49 46324.25  2256.10  577.546   19.154  550.336   13.431 27.21002 23.39394 
1 1 1    5    4   22 o  298.282   4.9727 13582.46  452.729 14115.86  737.600 13260.05  573.458  304.009   7.9491  294.691   6.3756 9.317596 10.18999 
1 1 1    5    4   23 o  476.750   7.4377 34712.23  1082.29 35912.63  1762.44 33985.50  1371.31  484.649   11.914  471.624   9.5263 13.02524 15.25456 
1 1 1    5    4   24 o  521.445   6.0645 41516.32  965.210 41592.99  1278.56 41414.72  1471.77  521.829   8.0274  520.635   9.2617 1.194275 12.25633 
1 1 1    5    4   25 o  188.447   2.7539  5420.17  158.402  5582.16  276.136  5340.72  193.384  191.223   4.7311  187.056   3.3871 4.166870 5.818619 
1 1 1    5    4   26 o  725.461   9.1463 80414.69  2025.24 80589.54  2864.37 80239.91  2863.88  725.816   12.930  724.236   12.956 1.579651 18.30362 
1 1 1    5    4   27 o  420.602   12.906 27064.43  1656.90 27090.64  2345.86 27038.34  2340.56  420.286   18.287  419.883   18.263 0.4032593 25.84477 
1 1 1    5    4   28 o  454.346   7.9784 31534.28  1106.43 29981.62  1630.74 32858.69  1506.12  442.742   12.068  463.613   10.644 -20.87088 16.09068 
1 1 1    5    4   29 o  360.258   4.7411 19813.96  521.331 19462.48  1689.22 19850.96  548.086  356.423   15.528  360.587   4.9799 -4.164795 16.30663 
1 1 1    5    4   30 o  538.454   6.4673 44278.82  1062.89 45161.27  1353.75 42860.48  1716.26  543.677   8.1579  529.437   10.621 14.24054 13.39219 
1 1 1    5    4   31 o  152.683   2.6016  3558.14  121.240  3691.11  176.087  3438.29  167.179  155.499   3.7101  150.080   3.6496 5.419281 5.204222 
1 1 1    5    4   32 o   24.686   4.1874   95.630   30.424  117.112   85.240   92.494   32.569   27.965   8.8843   24.215   4.5741 3.749226 9.992628 
1 1 1    5    4   33 o  443.429   5.2826 30028.48  714.972 30857.38  1120.02 29458.39  928.850  449.293   8.1673  439.091   6.9306 10.20233 10.71160 
1 1 1    5    4   34 o  312.282   4.0267 14889.69  383.807 14965.27  505.688 14786.98  589.464  313.020   5.2929  311.102   6.2078 1.917725 8.157906 
1 1 1    5    4   35 o  242.942   4.6437  9013.88  344.337  9453.92  505.665  8633.39  470.199  248.704   6.6614  237.676   6.4816 11.02823 9.294323 
1 1 1    5    4   36 o   64.081   2.4531  626.823   47.979  741.557   86.501  575.839   57.663   69.564   4.0920   61.337   3.0899 8.226624 5.127612 
1 1 1    5    4   37 o  389.778   4.4567 23206.35  530.213 23644.70  737.518 22737.45  762.788  393.285   6.1440  385.629   6.4806 7.655579 8.930102 
1 1 1    5    4   38 o  154.062   2.6591  3623.48  125.038  3575.43  146.384  3753.13  240.466  153.027   3.1341  156.724   5.0269 -3.697784 5.923863 
1 1 1    5    4   39 o  181.122   3.7209  5010.08  205.703  5210.43  280.979  4778.67  301.969  184.656   4.9853  176.810   5.5955 7.845917 7.494201 
1 1 1    5    4   40 o  207.175   2.9012  6553.34  183.457  6817.95  234.068  6131.89  295.399  211.288   3.6295  200.320   4.8314 10.96857 6.042801 
1 1 1    5    4   41 o  272.523   4.3010 11346.54  357.757 11445.36  438.037 11148.56  620.004  273.635   5.2447  269.834   7.5280 3.801300 9.174876 
1 1 1    5    4   42 o  103.037   2.8963  1621.05   91.087  1450.72  227.652  1653.51   99.389   97.012   7.7531  104.059   3.1293 -7.047165 8.360778 
1 1 1    5    4   43 o  256.578   3.8839 10056.66  304.162  9635.58  392.704 10688.02  480.862  251.058   5.1248  264.334   5.9601 -13.27614 7.860369 
1 1 1    5    4   44 o  193.404   2.7891  5711.46  164.643  5810.63  265.296  5649.34  209.969  194.996   4.4575  192.317   3.5770 2.679321 5.715246 
1 1 1    5    4   45 f  240.527   4.1950  8839.95  307.975  9154.02  555.948  8700.89  369.922  244.439   7.4515  238.559   5.0804 5.879471 9.018641 
1 1 1    5    4   46 o  331.819   5.3289 16837.20  539.709 17107.95  684.643 16392.77  877.175  334.279   6.7102  326.842   8.7929 7.436951 11.06084 
1 1 1    5    4   47 o  279.546   5.3715 11950.80  458.315 11698.47  651.849 12197.48  644.524  276.271   7.7303  282.140   7.4844 -5.868683 10.75980 
1 1 1    5    4   48 o   49.435   3.1925  374.792   47.914  333.583   61.868  436.548   75.737   46.512   4.4107   53.233   4.7099 -6.721458 6.452717 
1 1 1    5    4   49 o  447.444   6.8723 30662.36  938.555 29821.95  1528.21 31171.33  1189.27  439.913   11.381  450.677   8.6457 -10.76401 14.29283 
1 1 1    5    4   50 o   73.716   2.5733  829.726   57.899  756.082  100.343  866.483   70.890   70.168   4.7126   75.322   3.0835 -5.154411 5.631736 
1 1 1    5    4   51 o  111.013   2.5589  1881.80   86.706  1817.41  124.813  1941.85  120.541  109.063   3.7494  112.744   3.5029 -3.680634 5.131099 
1 1 1    5    4   52 f  311.988   4.2642 14878.67  406.064 14791.40  476.665 15109.54  775.333  310.975   5.0219  313.742   8.0965 -2.766815 9.527509 
1 1 1    5    4   53 o  185.675   3.4004  5267.13  192.706  5188.56  310.452  5316.38  245.789  184.118   5.5243  186.478   4.3184 -2.359772 7.011885 
1 1 1    5    4   54 o   47.782   3.3282  350.526   48.236  255.081  343.514  352.446   48.719   46.615   17.626   47.912   3.3526 -1.296940 17.94224 
1 1 1    5    4   55 o   24.350   6.0274   94.455   44.556   89.560  133.574   95.068   47.263   28.769   10.964   24.445   6.2961 4.323906 12.64333 
1 1 1    5    4   56 o  154.563   4.2973  3654.38  202.730  3767.43  237.680  3352.54  388.385  156.874   4.9639  147.265   8.6790 9.609161 9.998269 
1 1 1    5    4   57 o  121.275   4.7841  2251.85  177.089  2249.61  191.945  2264.68  459.068  121.180   5.1896  119.813   12.749 1.366959 13.76488 
1 1 1    5    4   58 o  221.183   4.5715  7491.26  308.620  8105.52  1121.37  7440.92  321.017  225.078   16.437  220.405   4.7719 4.672791 17.11529 
1 1 1    5    4   59 o  166.290   3.1645  4227.94  160.615  4594.83  270.431  4028.00  199.639  173.095   5.1186  162.216   4.0321 10.87857 6.516018 
1 1 1    5    4   60 o  126.915   3.6799  2465.32  142.547  2477.86  144.851  2080.47  802.453  127.232   3.7300  108.051   24.850 19.18132 25.12852 
1 1 1    5    4   61 o  179.760   3.0598  4942.81  167.880  5106.71  242.914  4792.95  232.280  182.501   4.3609  176.816   4.3040 5.684769 6.127120 
1 1 1    5    4   62 o  172.722   3.3010  4566.56  174.026  4626.04  212.592  4445.75  302.981  173.719   4.0094  169.877   5.8434 3.841217 7.086639 
1 1 1    5    5    0 o  192.902   6.1839  5699.28  363.250  5699.28  363.250  5699.28  363.250  192.902   6.1839  192.902   6.1839 0.000000 0.000000 
1 1 1    5    5    1 o  447.592   15.578 30775.10  2128.17 30388.87  2606.46 31547.59  3686.13  444.015   19.233  449.484   26.993 -5.469452 33.14407 
1 1 1    5    5    2 f  336.464   21.126 17550.68  2158.60 17550.68  2158.60   0.0000   0.0000  336.464   21.126  ?   ?  0.000000 21.12647 
1 1 1    5    5    3 o  486.064   13.102 36220.26  1943.73 44714.21  4648.58 34420.56  2139.76  534.797   28.582  473.536   14.805 61.26016 32.18845 
1 1 1    5    5    4 o  396.578   17.009 24182.86  2058.80 25900.85  2911.67 22465.05  2911.51  408.404   23.456  379.728   25.265 28.67612 34.47475 
1 1 1    5    5    5 o  250.514   6.4333  9587.48  491.909   0.0000   0.0000  9587.48  491.909  ?   ?   250.514   6.4333 0.000000 6.433337 
1 1 1    5    5    6 o  617.711   11.110 58406.70  2094.64 56499.09  2962.77 60313.00  2961.76  606.562   16.003  626.825   15.481 -20.26331 22.26543 
1 1 1    5    5    7 o  282.741   4.5854 12206.12  395.715 11955.54  501.803 12618.23  643.520  279.780   5.8762  287.365   7.3369 -7.585083 9.399997 
1 1 1    5    5    8 o  367.275   10.901 20639.42  1222.04 19704.80  1345.41 25046.00  2921.37  358.737   12.287  401.918   23.922 -43.18048 26.89334 
1 1 1    5    5    9 o  570.276   15.504 49877.10  2698.59 49877.10  2698.59   0.0000   0.0000  570.276   15.504  ?   ?  0.000000 15.50366 
1 1 1    5    5   10 o   91.319   3.0169  1272.87   84.090  1251.75  125.192  1290.23  113.506   90.434   4.5500   91.934   4.0451 -1.499405 6.088162 
1 1 1    5    5   11 o  336.422   6.4389 17284.83  661.169 16515.57  983.451 17919.29  893.130  328.698   9.8026  342.449   8.5448 -13.75131 13.00399 
1 1 1    5    5   12 o  612.270   25.943 57814.48  4848.18   0.0000   0.0000 57814.48  4848.18  ?   ?   612.270   25.943 0.000000 25.94287 
1 1 1    5    5   13 o  291.419   4.9194 12965.09  437.570 11521.54  757.546 13687.86  536.035  274.603   9.0383  299.410   5.8656 -24.80664 10.77475 
1 1 1    5    5   14 o  225.006   3.7807  7727.84  259.648  7729.38  436.539  7727.00  322.992  224.988   6.3569  224.981   4.7036 0.6774902E-02 7.907849 
1 1 1    5    5   15 o  151.381   3.9353  3497.99  181.831  3296.57  243.129  3753.63  273.909  146.945   5.4208  156.798   5.7233 -9.852615 7.883021 
1 1 1    5    5   16 o  624.404   10.970 59590.32  2090.77 69772.26  7368.30 58698.73  2180.39  669.731   36.180  619.666   11.528 50.06470 37.97187 
1 1 1    5    5   17 o   27.700   4.4494  120.087   36.346  199.748  149.347  115.072   37.472   36.657   11.772   27.065   4.7070 9.591993 12.67799 
1 1 1    5    5   18 o  245.599   3.5375  9206.76  265.180  9237.32  374.982  9176.19  375.061  245.988   4.9944  245.173   5.0120 0.8154602 7.075590 
1 1 1    5    5   19 o  323.435   5.0241 15969.66  495.980 16320.21  793.581 15744.96  635.357  326.891   7.9537  321.119   6.4824 5.771393 10.26076 
1 1 1    5    5   20 o  809.835   13.104 100299.40  3238.93 103182.20  6851.52 99469.82  3675.56  818.472   27.426  806.223   14.937 12.24817 31.22980 
1 1 1    5    5   21 o  168.556   4.4628  4336.96  229.600  4318.03  262.632  4398.33  472.894  168.181   5.1163  169.428   9.1788 -1.246323 10.50840 
1 1 1    5    5   22 o  488.008   10.879 36400.69  1620.50 36081.80  1737.06 38540.43  4499.55  485.806   11.715  498.823   29.687 -13.01724 31.91525 
1 1 1    5    5   23 o  305.332   4.1882 14230.92  390.315 14460.28  539.729 13979.46  565.124  307.750   5.7459  302.582   6.1190 5.168701 8.393948 
1 1 1    5    5   24 o  255.910   3.2359  9995.95  252.757 10532.02  472.111  9780.56  299.257  262.638   5.8894  253.130   3.8733 9.508545 7.048919 
1 1 1    5    5   25 o  592.546   9.6931 53655.21  1753.08 56473.65  3713.83 52847.14  1988.58  606.582   20.059  587.947   11.081 18.63501 22.91657 
1 1 1    5    5   26 o   53.016   2.5909  428.988   41.926  347.735   50.902  600.383   73.929   47.599   3.5288   62.594   3.8888 -14.99529 5.251207 
1 1 1    5    5   27 o  331.679   5.4447 16796.51  551.205 16164.40  857.136 17242.26  719.775  325.268   8.6336  336.002   7.0184 -10.73383 11.12641 
1 1 1    5    5   28 o  355.378   5.4993 19283.04  596.511 19599.09  1001.27 19109.15  742.696  358.127   9.1601  353.724   6.8791 4.402557 11.45550 
1 1 1    5    5   29 o  194.472   2.4809  5772.28  147.262  5507.20  208.247  6037.42  208.271  189.944   3.5920  198.879   3.4310 -8.935425 4.967335 
1 1 1    5    5   30 o  170.712   3.3096  4448.37  172.445  4908.95  291.074  4199.28  214.054  179.304   5.3186  165.853   4.2285 13.45062 6.794664 
1 1 1    5    5   31 o  262.704   4.2165 10535.97  338.092 10338.37  589.343 10632.90  412.769  260.131   7.4226  263.887   5.1247 -3.755707 9.019907 
1 1 1    5    5   32 o  727.889   8.8110 81000.52  1957.53 79252.77  3160.67 82088.12  2493.28  718.928   14.404  732.368   11.154 -13.44019 18.21753 
1 1 1    5    5   33 f  200.614   2.4680  6143.00  151.120  6127.67  227.073  6155.20  202.468  200.343   3.7134  200.800   3.3035 -0.4572601 4.970182 
1 1 1    5    5   34 o  190.702   3.7525  5552.54  218.419  5935.18  478.292  5451.71  245.515  197.010   7.9540  188.951   4.2571 8.059174 9.021620 
1 1 1    5    5   35 o   33.318   4.7346  172.950   46.794  180.828   48.379   58.595  184.315   34.076   4.7833   30.892   12.532 3.184002 13.41407 
1 1 1    5    5   36 o  230.252   3.1696  8094.29  222.751  8672.55  341.947  7668.03  293.589  238.274   4.7018  224.068   4.2928 14.20657 6.366738 
1 1 1    5    5   37 o  382.887   5.2573 22402.13  614.399 23519.62  868.506 21282.67  869.276  392.091   7.2572  372.930   7.6368 19.16089 10.53511 
1 1 1    5    5   38 o  436.282   7.2448 29125.17  964.737 31783.19  2513.54 28665.95  1044.76  452.599   18.195  432.719   7.9103 19.88000 19.84021 
1 1 1    5    5   39 f  402.190   6.2168 24737.09  763.154 26017.93  1185.54 23830.81  997.243  411.918   9.4295  394.438   8.2833 17.47961 12.55109 
1 1 1    5    5   40 o  337.217   5.3788 17382.85  553.622 17127.47  658.488 17998.62  1022.52  334.611   6.4475  342.490   9.7816 -7.878662 11.71535 
1 1 1    5    5   41 o  206.054   3.1819  6483.59  200.120  6877.50  276.364  6049.36  290.166  212.170   4.2676  198.959   4.7782 13.21120 6.406522 
1 1 1    5    5   42 o  230.367   5.4015  8113.94  379.800  7963.83  431.441  8630.82  800.576  228.160   6.1953  236.892   11.072 -8.732101 12.68764 
1 1 1    5    5   43 o  265.499   3.5305 10766.45  286.099 10894.74  560.226 10721.18  332.762  266.767   6.8804  264.901   4.1156 1.866180 8.017367 
1 1 1    5    5   44 o  225.761   3.9303  7786.60  270.827  7760.90  1117.51  7788.21  279.148  222.832   16.549  225.777   4.0508 -2.945099 17.03746 
1 1 1    5    5   45 o   90.317   4.6045  1249.99  126.512  1239.82  145.616  1281.28  255.497   89.886   5.3314   90.877   9.3443 -0.9908447 10.75829 
1 1 1    5    5   46 o   57.544   3.5007  507.664   61.194  486.493   77.706  542.227   99.289   56.233   4.5668   59.283   5.5519 -3.049377 7.188837 
1 1 1    5    5   47 o  185.555   4.7147  5263.00  267.020  5080.08  571.433  5314.10  302.021  181.452   10.361  186.413   5.3082 -4.960693 11.64136 
1 1 1    5    5   48 o  407.989   7.3908 25505.88  920.359 25494.20  1010.14 25562.96  2233.12  407.726   8.1170  404.394   18.092 3.332428 19.82955 
1 1 1    5    5   49 o  180.823   3.3216  4994.16  183.322  4670.08  306.384  5174.89  228.798  174.711   5.7455  184.027   4.0734 -9.315933 7.042967 
1 1 1    5    5   50 o   88.390   2.2541  1192.80   60.811  1156.29   80.655  1240.90   92.572   87.012   3.0369   90.132   3.3650 -3.119568 4.532803 
1 1 1    5    5   51 o  103.388   2.4600  1632.12   77.630  1715.09  113.967  1560.30  106.032  105.955   3.5240  101.063   3.4374 4.891747 4.922850 
1 1 1    5    5   52 o  161.092   3.6411  3965.14  179.031  3962.51  192.773  3981.65  482.813  161.023   3.9223  160.510   9.9034 0.5122528 10.65186 
1 1 1    5    5   53 o   89.981   4.1061  1237.68  112.770  1163.07  243.696  1258.01  127.209   86.429   9.3889   90.580   4.6165 -4.151070 10.46248 
1 1 1    5    5   54 o  291.088   5.3655 12971.09  476.710 13630.23  703.830 12412.43  647.968  297.896   7.7408  284.340   7.4662 13.55573 10.75473 
1 1 1    5    5   55 o   93.053   2.5183  1322.44   71.525  1448.90  109.934  1229.61   94.186   97.358   3.6995   89.699   3.4402 7.659721 5.051854 
1 1 1    5    5   56 o   32.212   4.6507  162.062   44.400  134.099   82.574  173.436   52.661   29.277   8.6442   33.230   5.3757 -3.952576 10.17942 
1 1 1    5    5   57 o  222.521   4.5929  7580.23  311.941  8058.92  468.748  7199.72  417.918  229.036   6.7053  216.562   6.3225 12.47385 9.216050 
1 1 1    5    5   58 f  152.652   3.9091  3565.40  182.136  3978.30  281.220  3267.06  239.047  161.012   5.7223  145.960   5.3658 15.05263 7.844524 
1 1 1    5    5   59 f  130.561   3.5419  2607.82  141.147  3033.09  657.084  2587.25  144.521  136.796   16.042  130.036   3.6412 6.760162 16.44988 
1 1 1    5    5   60 o  246.451   4.0746  9303.91  306.500  9359.39  379.133  9199.25  520.727  246.945   5.0301  244.183   6.9868 2.761841 8.609117 
1 1 1    5    5   61 o   63.899   3.2470  626.407   63.119  654.731   86.480  594.117   92.336   65.196   4.3712   62.011   4.9188 3.184685 6.580439 
1 1 1    5    5   62 o   44.820   3.2070  309.035   43.582  292.387   49.139  370.416   94.352   43.526   3.7350   48.551   6.5329 -5.025257 7.525179 
1 1 1    5    6    0 o  225.885   10.763  7850.50  738.199  7850.50  738.199  7850.50  738.199  225.885   10.763  225.885   10.763 -0.000000 0.000000 
1 1 1    5    6    1 o  188.566   4.9547  5429.58  285.168  5339.86  330.653  5690.05  563.394  186.981   5.7937  192.881   9.5699 -5.900314 11.18701 
1 1 1    5    6    2 o  209.096   5.6676  6677.37  361.713  7184.12  666.581  6465.88  430.628  216.707   10.078  205.721   6.8581 10.98586 12.18993 
1 1 1    5    6    3 o  207.077   6.4151  6550.31  405.462  6550.31  405.462   0.0000   0.0000  207.077   6.4151  ?   ?  0.000000 6.415082 
1 1 1    5    6    4 o  123.358   10.732  2345.85  400.064  2345.85  400.064   0.0000   0.0000  123.358   10.732  ?   ?  0.000000 10.73230 
1 1 1    5    6    5 o  428.011   26.224 28475.15  3409.30   0.0000   0.0000 28475.15  3409.30  ?   ?   428.011   26.224 0.000000 26.22362 
1 1 1    5    6    6 f  216.565   14.767  7223.17  970.279   0.0000   0.0000  7223.17  970.279  ?   ?   216.565   14.767 0.000000 14.76689 
1 1 1    5    6    7 o  138.466   4.7822  2927.32  202.112  2882.14  222.319  3142.51  485.191  137.387   5.3017  142.885   11.215 -5.498520 12.40530 
1 1 1    5    6    8 o  322.468   6.8045 15882.95  669.730 15601.88  704.377 18530.97  2162.04  319.585   7.2211  346.521   20.533 -26.93640 21.76595 
1 1 1    5    6    9 f  396.059   8.8200 23970.70  1066.22 26212.32  2772.19 23581.54  1155.07  412.145   22.118  392.780   9.6348 19.36505 24.12539 
1 1 1    5    6   10 o  209.371   4.6414  6692.19  296.606  6289.08  419.613  7094.74  419.316  202.928   6.7747  215.544   6.3737 -12.61543 9.301613 
1 1 1    5    6   11 o  562.243   19.030 48499.10  3265.69 47861.33  5663.72 48816.73  3997.03  554.472   33.625  563.351   23.246 -8.878296 40.87782 
1 1 1    5    6   12 o  374.126   7.3718 21377.30  841.796 21715.96  1191.83 21040.16  1189.13  376.939   10.359  371.020   10.501 5.919128 14.75046 
1 1 1    5    6   13 o  572.358   7.3829 50030.90  1289.76 51745.22  1871.91 48481.49  1779.59  581.862   10.540  563.228   10.352 18.63397 14.77351 
1 1 1    5    6   14 o  509.831   9.0954 39710.04  1415.36 40612.03  2001.62 38808.04  2001.61  515.328   12.726  503.728   13.019 11.59970 18.20520 
1 1 1    5    6   15 o  806.132   26.272 100028.20  6464.22 111956.60 11197.95 94066.52  7916.46  845.528   43.538  779.737   33.263 65.79187 54.79073 
1 1 1    5    6   16 o  405.668   6.4165 25127.38  794.485 25320.29  1006.44 24808.40  1294.20  407.161   8.0985  402.914   10.524 4.247955 13.27916 
1 1 1    5    6   17 o  238.681   5.8281  8697.64  424.580  9442.13  844.188  8445.55  491.230  248.551   11.128  235.178   6.8434 13.37283 13.06362 
1 1 1    5    6   18 o  258.431   3.4263 10193.90  270.265 10302.92  428.134 10121.67  348.473  259.782   5.3995  257.502   4.4338 2.280212 6.986617 
1 1 1    5    6   19 o   92.919   2.8243  1317.78   80.099  1461.69  197.367  1289.40   87.641   97.613   6.6643   91.912   3.1241 5.700203 7.360219 
1 1 1    5    6   20 o  706.495   11.322 76298.16  2441.47 81558.87  3600.23 71819.04  3322.03  729.829   16.162  684.903   15.891 44.92578 22.66578 
1 1 1    5    6   21 o  484.798   11.180 35926.75  1654.39 38799.72  3038.75 34716.45  1972.32  502.934   19.796  476.379   13.565 26.55515 23.99716 
1 1 1    5    6   22 o  165.035   3.0540  4157.15  153.837  4337.02  190.636  3821.32  260.478  168.563   3.7053  158.208   5.3942 10.35495 6.544207 
1 1 1    5    6   23 o  387.483   5.8839 22924.53  695.884 23038.47  984.642 22810.83  983.616  388.353   8.3068  386.428   8.3395 1.924805 11.77076 
1 1 1    5    6   24 o  1321.64   25.655 269070.09 10349.28 291950.09 18619.28 258840.91 12449.63  1363.84   44.728  1293.21   31.541 70.62891 54.73049 
1 1 1    5    6   25 o  491.667   7.7595 36924.26  1164.44 36293.92  2471.22 37104.16  1320.20  486.681   16.636  492.802   8.7771 -6.121582 18.80942 
1 1 1    5    6   26 o  603.047   11.592 55612.26  2133.74 56905.64  3843.37 55036.00  2565.42  608.674   20.688  599.634   14.017 9.039551 24.98905 
1 1 1    5    6   27 o  395.398   5.9353 23872.42  716.301 23716.22  1203.30 23958.16  891.457  393.902   10.008  396.048   7.3745 -2.146088 12.43196 
1 1 1    5    6   28 o  376.733   5.6985 21671.51  655.256 22724.93  1578.74 21452.27  720.221  385.310   13.424  374.801   6.2958 10.50943 14.82707 
1 1 1    5    6   29 o  382.918   6.4712 22393.49  756.328 24037.89  1974.92 22110.87  818.748  395.936   16.342  380.467   7.0504 15.46878 17.79807 
1 1 1    5    6   30 o  153.173   3.1564  3581.27  147.566  3716.56  247.166  3506.33  183.947  156.014   5.1905  151.554   3.9766 4.460266 6.538680 
1 1 1    5    6   31 o  543.676   7.0990 45159.40  1178.03 46074.86  3815.07 45062.92  1238.56  546.329   22.879  543.062   7.4722 3.266235 24.06802 
1 1 1    5    6   32 f  424.531   5.2357 27523.99  678.422 27309.77  894.064 27814.76  1041.62  422.765   6.9287  426.568   8.0002 -3.803558 10.58352 
1 1 1    5    6   33 o  258.189   4.0775 10178.43  321.332 10618.24  482.209  9827.13  430.961  263.632   5.9927  253.640   5.5668 9.992172 8.179312 
1 1 1    5    6   34 o  622.276   10.729 59334.59  2037.76 58945.35  2772.90 59791.64  3004.69  619.146   14.673  623.203   15.796 -4.056702 21.55974 
1 1 1    5    6   35 o  428.427   5.8349 28050.27  763.008 28049.56  1078.57 28050.97  1079.54  428.127   8.2539  428.137   8.2611 -0.9765625E-02 11.67789 
1 1 1    5    6   36 o  259.841   3.0947 10308.37  245.440 10075.42  400.965 10447.95  310.383  256.792   5.1157  261.561   3.8878 -4.769623 6.425426 
1 1 1    5    6   37 o  319.505   4.7195 15596.19  460.247 15486.59  756.846 15660.50  579.765  318.080   7.7957  320.061   5.9347 -1.981537 9.797648 
1 1 1    5    6   38 o  271.340   4.3721 11247.31  362.092 10933.14  612.368 11416.21  448.994  267.263   7.5068  273.299   5.3825 -6.036011 9.237093 
1 1 1    5    6   39 o  413.855   5.5379 26183.25  699.535 25348.09  849.505 27942.46  1232.94  407.020   6.8381  426.835   9.4638 -19.81552 11.67572 
1 1 1    5    6   40 o  359.518   4.8062 19752.33  527.398 20042.14  712.654 19401.45  784.171  361.949   6.4508  356.007   7.2166 5.941650 9.679508 
1 1 1    5    6   41 o  463.604   6.0491 32875.16  855.970 33150.50  1156.52 32541.63  1272.88  465.113   8.1466  460.600   9.0541 4.513367 12.17967 
1 1 1    5    6   42 o  187.745   3.2943  5383.11  188.779  5474.37  305.888  5326.96  239.919  189.224   5.2963  186.722   4.2097 2.502136 6.765497 
1 1 1    5    6   43 o  316.967   5.7893 15367.58  560.091 15504.71  827.415 15251.61  760.933  317.955   8.5259  315.459   7.9029 2.496368 11.62527 
1 1 1    5    6   44 o  285.155   5.6115 12436.83  488.405   0.0000   0.0000 12436.83  488.405  ?   ?   285.155   5.6115 0.000000 5.611539 
1 1 1    5    6   45 o  204.763   3.2838  6403.65  205.234  6389.89  237.219  6444.60  409.253  204.516   3.8002  205.182   6.5348 -0.6660156 7.559466 
1 1 1    5    6   46 o  293.116   4.9043 13134.87  438.768 12984.05  713.053 13226.78  556.625  291.003   8.0280  293.986   6.2032 -2.983582 10.14539 
1 1 1    5    6   47 o  142.589   4.6922  3107.86  204.212  3056.56  400.763  3125.86  237.335  140.760   9.3818  142.962   5.4391 -2.201385 10.84444 
1 1 1    5    6   48 o  177.854   3.0772  4830.83  167.043  5315.70  324.554  4656.10  194.830  186.404   5.7045  174.582   3.6563 11.82225 6.775638 
1 1 1    5    6   49 o  409.664   6.0744 25685.97  759.530 26692.21  1214.05 25038.85  973.594  416.729   9.5448  404.069   7.8941 12.66000 12.38628 
1 1 1    5    6   50 o  242.178   3.8166  8961.48  282.113 10497.97  440.629  7894.09  367.256  261.948   5.5111  227.172   5.2966 34.77596 7.643716 
1 1 1    5    6   51 o  244.979   3.2453  9167.38  242.660  9642.70  367.594  8800.27  323.052  251.112   4.7961  239.930   4.4113 11.18248 6.516296 
1 1 1    5    6   52 o  111.071   2.9917  1884.31  101.424  1846.82  130.089  1942.41  161.961  109.929   3.8772  112.700   4.7084 -2.770973 6.099280 
1 1 1    5    6   53 o  164.301   3.6740  4125.41  184.245  4202.41  246.355  4027.67  277.549  165.741   4.8698  162.195   5.6064 3.546295 7.426133 
1 1 1    5    6   54 o  213.118   3.2657  6939.75  212.428  6932.56  300.941  6946.88  299.899  212.879   4.6316  213.101   4.6108 -0.2220154 6.535361 
1 1 1    5    6   55 o   66.519   4.4571  679.957   89.969  673.103   98.082  716.326  225.926   66.135   4.8937   67.077   11.446 -0.9424744 12.44807 
1 1 1    5    6   56 o  176.640   4.0587  4772.57  218.824  5358.86  641.849  4695.46  232.769  185.404   11.397  175.178   4.3534 10.22614 12.20054 
1 1 1    5    6   57 o   53.172   2.7626  433.154   44.680  450.116   60.571  412.908   66.175   54.126   3.6884   51.773   4.2246 2.353634 5.608108 
1 1 1    5    6   58 o   71.973   3.3860  792.159   74.383  689.825  104.590  896.891  105.808   66.876   5.1639   76.385   4.5591 -9.508652 6.888494 
1 1 1    5    6   59 o  240.610   4.1685  8866.84  306.130  9047.66  387.986  8568.61  498.287  242.801   5.2354  235.789   6.9237 7.011536 8.680274 
1 1 1    5    6   60 o  122.963   5.1024  2321.69  191.499  2257.84  215.264  2563.92  419.276  121.149   5.8215  127.416   10.885 -6.267731 12.34432 
1 1 1    5    6   61 o  139.079   4.6799  2969.26  198.661  3050.98  424.514  2946.34  224.796  139.188   10.060  138.424   5.3206 0.7642517 11.38057 
1 1 1    5    6   62 o   82.579   4.3066  1049.25  108.172  939.044  226.680  1081.74  123.092   76.750   9.9078   83.763   4.8351 -7.013435 11.02466 
1 1 1    5    7    0 o  416.422   17.859 26691.65  2260.35 26691.65  2260.35 26691.65  2260.35  416.422   17.859  416.422   17.859 0.000000 0.000000 
1 1 1    5    7    1 o  327.431   7.5083 16379.68  750.379 17581.50  1477.15 15961.68  871.154  338.743   14.287  323.158   8.8321 15.58505 16.79639 
1 1 1    5    7    2 o  808.178   17.535 100272.10  4325.38 97480.52  5025.95 108244.20  8493.39  795.925   20.688  833.234   33.396 -37.30859 39.28511 
1 1 1    5    7    3 o  498.752   14.821 38119.93  2256.22 39215.89  3191.10 37024.42  3190.45  504.880   20.708  490.454   21.313 14.42627 29.71602 
1 1 1    5    7    4 o   62.581   3.5890  599.796   68.269  584.552   72.906  708.303  194.513   61.759   3.8875   67.375   9.7416 -5.615768 10.48864 
1 1 1    5    7    8 o  556.421   22.721 47616.70  3858.71   0.0000   0.0000 47616.70  3858.71  ?   ?   556.421   22.721 0.000000 22.72067 
1 1 1    5    7    9 o  334.019   6.5560 17037.19  668.381 16919.88  702.775 18148.45  2162.99  332.855   6.9174  343.165   20.748 -10.31009 21.87095 
1 1 1    5    7   10 o   36.616   3.9424  207.034   43.367  137.057   70.166  250.287   55.164   29.424   7.7172   40.232   4.5736 -10.80765 8.970694 
1 1 1    5    7   11 o  504.671   13.038 38957.29  2008.36 38360.61  2211.02 41771.83  4802.02  500.660   14.469  519.114   30.440 -18.45413 33.70390 
1 1 1    5    7   12 o  256.359   6.6006 10035.26  516.472  9959.75  559.680 10468.44  1340.51  255.379   7.1802  260.881   16.926 -5.502045 18.38620 
1 1 1    5    7   13 o  147.527   3.7161  3322.05  167.330  2718.73  248.817  3820.21  226.093  133.440   6.1091  158.194   4.6825 -24.75366 7.697204 
1 1 1    5    7   14 o  743.169   14.036 84492.50  3183.74 85472.47  4735.65 83684.27  4300.69  746.385   20.787  738.847   19.071 7.538086 28.21003 
1 1 1    5    7   15 o  882.594   14.465 119183.90  3896.71 119958.60  5747.69 118524.80  5300.94  884.144   21.299  879.183   19.754 4.961182 29.04924 
1 1 1    5    7   16 o  254.610   4.1540  9895.31  322.815 11837.19  543.585  8837.35  401.229  278.434   6.3963  240.596   5.4637 37.83815 8.412169 
1 1 1    5    7   17 o  348.588   4.6631 18549.36  496.143 18018.36  737.835 18987.63  670.319  343.504   7.0374  352.645   6.2277 -9.141418 9.397272 
1 1 1    5    7   18 o  356.184   6.8496 19372.76  744.662 20473.98  1648.18 19090.30  834.715  365.774   14.763  353.549   7.7352 12.22537 16.66671 
1 1 1    5    7   19 o  352.446   7.0210 18969.17  755.285 20341.80  962.990 16775.16  1217.48  364.915   8.6459  331.234   12.042 33.68167 14.82467 
1 1 1    5    7   20 o  834.074   18.127 106629.80  4614.85 107106.00  5002.63 103910.40 11954.47  835.626   19.614  811.324   48.497 24.30182 52.31297 
1 1 1    5    7   21 o  508.800   8.2834 39544.48  1286.39 39348.80  1458.97 40227.91  2726.55  507.471   9.4193  512.361   17.435 -4.890594 19.81667 
1 1 1    5    7   22 o  356.628   5.0235 19416.47  546.817 18955.59  707.515 20100.15  861.719  352.326   6.5792  362.763   7.7826 -10.43729 10.19094 
1 1 1    5    7   23 o  206.147   3.6867  6486.75  231.970  6361.49  322.098  6621.72  334.356  204.128   5.1697  208.260   5.2600 -4.131821 7.375219 
1 1 1    5    7   24 o  625.029   12.083 59747.63  2305.09 60259.99  4153.25 59519.54  2771.06  626.202   21.730  623.532   14.560 2.670471 26.15697 
1 1 1    5    7   25 o  757.215   14.085 87767.08  3255.43 89930.35  5862.01 86802.40  3914.56  763.989   25.139  752.518   17.043 11.47028 30.37139 
1 1 1    5    7   26 o  402.011   7.2405 24684.24  888.429 24680.43  976.419 24702.58  2141.52  401.945   7.9589  401.362   17.481 0.5824890 19.20760 
1 1 1    5    7   27 o  479.093   7.2960 35059.79  1066.89 38067.94  3041.03 34637.57  1139.31  497.796   20.015  476.167   7.8391 21.62860 21.49521 
1 1 1    5    7   28 o  872.917   12.170 116592.20  3242.45 119035.70  4157.31 112797.30  5180.85  881.312   15.455  856.748   19.812 24.56366 25.12713 
1 1 1    5    7   29 o  485.854   5.9077 36048.84  876.076 35762.98  1336.18 36264.38  1160.28  483.705   9.0504  487.183   7.8028 -3.477600 11.94963 
1 1 1    5    7   30 o  613.875   7.3704 57577.79  1380.99 57334.57  2696.17 57664.30  1607.92  611.562   14.444  614.209   8.5769 -2.646667 16.79864 
1 1 1    5    7   31 o  280.325   3.5894 11996.36  307.112 11699.86  395.800 12444.96  486.845  276.808   4.6847  285.453   5.5878 -8.645172 7.291742 
1 1 1    5    7   32 o  223.339   4.3297  7616.44  295.145  7367.30  395.489  7929.62  443.406  219.604   5.9003  227.811   6.3769 -8.207291 8.687842 
1 1 1    5    7   33 o  142.202   3.0605  3087.02  132.837  3173.74  205.809  3025.10  173.912  144.155   4.6775  140.752   4.0482 3.403091 6.186026 
1 1 1    5    7   34 f  449.411   6.4077 30872.64  878.950 30439.38  1444.68 31127.26  1107.51  445.621   10.622  451.052   8.0446 -5.430725 13.32417 
1 1 1    5    7   35 o  121.186   2.4850  2241.87   91.916  2318.33  167.885  2209.14  109.842  123.198   4.4647  120.291   2.9917 2.906975 5.374362 
1 1 1    5    7   36 o  351.143   4.6268 18836.70  495.884 18865.92  718.009 18810.05  685.679  351.217   6.6979  350.728   6.4052 0.4880676 9.267595 
1 1 1    5    7   37 o  213.390   3.6550  6954.02  238.055  6867.23  415.949  6996.29  290.299  211.902   6.4311  214.003   4.4444 -2.101028 7.817419 
1 1 1    5    7   38 o   74.885   2.5180  856.098   57.554  818.073   71.039  928.730   98.181   73.195   3.1798   77.863   4.1462 -4.668076 5.225100 
1 1 1    5    7   39 o  176.135   2.6170  4736.44  140.689  5018.68  183.979  4338.96  218.331  181.285   3.3250  168.528   4.2445 12.75696 5.391765 
1 1 1    5    7   40 o  281.035   4.9812 12071.66  427.280 12284.19  604.602 11859.61  603.929  283.290   6.9923  278.337   7.1088 4.952637 9.971351 
1 1 1    5    7   41 o  331.800   6.1274 16841.83  620.545 17521.84  879.906 16168.95  875.279  338.051   8.5278  324.683   8.8322 13.36786 12.27727 
1 1 1    5    7   42 o  161.721   2.7786  3993.44  137.156  4179.46  202.359  3835.38  186.540  165.398   4.0084  158.450   3.8571 6.948242 5.562807 
1 1 1    5    7   43 o  219.165   3.8386  7338.00  256.777  7250.10  438.507  7383.87  316.767  217.630   6.6015  219.792   4.7218 -2.161331 8.116348 
1 1 1    5    7   44 o  337.985   5.1632 17466.63  532.639 17346.03  661.986 17688.05  896.989  336.637   6.4427  339.536   8.6554 -2.898315 10.78999 
1 1 1    5    7   45 o  282.637   4.5042 12209.15  388.562 12274.21  482.801 12089.53  654.659  283.277   5.5839  280.861   7.6367 2.415680 9.460415 
1 1 1    5    7   46 o  266.093   6.8122 10842.55  553.274 10820.26  652.143 10899.78  1045.17  265.642   8.0432  265.633   12.891 0.8880615E-02 15.19443 
1 1 1    5    7   47 o  165.681   3.3534  4192.75  169.583  3998.24  218.084  4490.26  269.710  161.742   4.4176  171.361   5.1567 -9.618057 6.790153 
1 1 1    5    7   48 o  313.598   3.6277 15023.64  347.237 15070.69  499.115 14979.51  483.395  313.920   5.2091  312.987   5.0601 0.9326172 7.262200 
1 1 1    5    7   49 o  112.966   2.9198  1948.86  100.674  1896.28  162.915  1981.35  128.049  111.367   4.7928  113.880   3.6839 -2.513680 6.045008 
1 1 1    5    7   50 o  250.225   3.3012  9564.28  252.126  9760.92  323.176  9258.47  403.019  252.712   4.1898  246.004   5.3674 6.708191 6.809101 
1 1 1    5    7   51 o  186.163   2.9457  5293.19  167.376  5252.14  235.999  5334.74  237.418  185.366   4.1712  186.818   4.1637 -1.452316 5.893667 
1 1 1    5    7   52 o  104.565   3.2280  1670.35  103.023  1553.00  136.862  1823.80  156.498  100.779   4.4493  109.200   4.6954 -8.421303 6.468626 
1 1 1    5    7   53 f  268.513   3.7888 11020.13  310.513 11333.47  372.223 10303.05  563.090  272.221   4.4799  259.127   7.1195 13.09360 8.411662 
1 1 1    5    7   54 o   74.340   3.6672  844.740   83.210  807.005  132.609  869.247  106.868   72.311   6.0643   75.230   4.6773 -2.918655 7.658507 
1 1 1    5    7   55 o  170.780   4.3775  4462.17  228.179  4721.48  270.258  3818.45  425.814  175.601   5.0424  157.122   8.9158 18.47902 10.24287 
1 1 1    5    7   56 o  104.323   3.5220  1663.94  112.147  1631.44  162.558  1693.44  154.919  103.062   5.1842  105.161   4.8265 -2.098389 7.083138 
1 1 1    5    7   57 o   66.516   3.7607  678.942   76.037  750.326  116.650  626.203  100.265   69.726   5.5264   63.704   5.2020 6.022221 7.589581 
1 1 1    5    7   58 o  142.888   3.0813  3121.51  134.384  3601.29  243.250  2910.75  161.221  153.221   5.2014  137.912   3.8300 15.30882 6.459366 
1 1 1    5    7   59 f  206.633   4.3191  6542.79  272.404  7230.15  396.127  5926.13  375.199  216.808   5.9861  196.212   6.2650 20.59612 8.665040 
1 1 1    5    7   60 o  209.201   4.3346  6710.51  276.775  6861.84  301.146  5887.46  702.311  211.468   4.6657  192.632   12.005 18.83611 12.87941 
1 1 1    5    7   61 o   30.265   6.6959  146.990   60.216 -25.8685  155.506  177.481   65.311   24.773   10.832   33.323   6.6544 -8.549330 12.71297 
1 1 1    5    8    0 o  1033.08   26.027 164039.20  8195.15 164039.20  8195.15 164039.20  8195.15  1033.08   26.027  1033.08   26.027 0.000000 0.000000 
1 1 1    5    8    1 o  374.167   8.4840 21389.60  968.909 20925.92  1125.13 22720.23  1906.00  370.011   9.9626  385.060   16.217 -15.04901 19.03292 
1 1 1    5    8    2 o  480.752   10.343 35329.61  1517.70 34859.08  1762.98 36676.49  2982.76  477.397   12.099  488.741   19.995 -11.34378 23.37069 
1 1 1    5    8    3 o  132.941   6.4237  2698.83  260.655  2248.39  449.421  2927.15  319.966  120.610   12.384  138.224   7.6135 -17.61388 14.53719 
1 1 1    5    8    4 o  531.609   13.656 43247.38  2215.85 42517.82  2439.43 46689.08  5298.40  526.938   15.167  548.175   31.804 -21.23682 35.23540 
1 1 1    5    8    5 o  386.810   16.725 22926.39  1974.60 22425.51  2794.39 23425.93  2790.63  380.983   24.156  389.530   23.583 -8.547516 33.75857 
1 1 1    5    8    6 o  260.969   7.2113 10401.19  574.406 10269.44  631.974 11027.12  1377.49  259.290   7.9854  267.735   16.944 -8.445282 18.73126 
1 1 1    5    8   10 o  202.675   4.5861  6270.56  283.701  6188.20  404.385  6350.39  398.115  201.311   6.5813  203.935   6.3959 -2.624237 9.177162 
1 1 1    5    8   11 o  628.890   11.819 60463.95  2268.61 60760.38  3065.79 60105.20  3372.73  629.977   15.944  626.348   17.642 3.629150 23.77933 
1 1 1    5    8   12 f  623.476   14.334 59474.31  2727.66 75951.76  7075.27 56597.81  2956.18  700.733   33.081  608.030   15.929 92.70288 36.71593 
1 1 1    5    8   13 o  583.832   16.757 52198.32  2986.00 55301.68  4226.67 49106.18  4219.02  600.013   23.079  565.180   24.457 34.83374 33.62749 
1 1 1    5    8   14 o  460.245   9.3127 32361.44  1308.22 32338.76  1615.43 32404.65  2229.92  459.955   11.507  460.085   15.879 -0.1305237 19.61026 
1 1 1    5    8   15 o  286.856   4.8697 12561.53  426.368 12210.75  540.872 13137.31  692.951  282.795   6.2662  293.291   7.7408 -10.49573 9.959199 
1 1 1    5    8   16 o  646.659   12.111 63934.78  2390.47 65221.84  3555.79 62873.38  3229.06  652.432   17.856  640.763   16.511 11.66840 24.31941 
1 1 1    5    8   17 o  772.729   18.419 91522.78  4344.25 86742.48  5184.65 102788.50  7959.23  751.454   22.605  815.352   31.982 -63.89838 39.16424 
1 1 1    5    8   18 o  279.727   5.6667 11946.47  483.816 12737.19  685.554 11161.88  682.893  288.782   7.7777  270.321   8.2767 18.46136 11.35767 
1 1 1    5    8   19 o  127.732   3.3462  2490.31  130.458  2490.31  130.458   0.0000   0.0000  127.732   3.3462  ?   ?  0.000000 3.346200 
1 1 1    5    8   20 o  524.598   7.7142 42033.63  1235.19 42813.71  1974.76 41532.29  1583.11  529.116   12.228  521.318   9.9493 7.797058 15.76408 
1 1 1    5    8   21 o  312.838   4.3274 14939.71  413.208 14681.95  598.469 15174.53  571.213  310.081   6.3234  315.251   5.9364 -5.169312 8.673307 
1 1 1    5    8   22 o  284.827   4.3073 12384.13  374.462 12780.36  481.194 11775.76  596.253  289.324   5.4490  277.680   7.0351 11.64380 8.898545 
1 1 1    5    8   23 o  303.199   7.0164 14039.79  649.324 14602.09  1873.97 13963.07  692.205  307.759   20.059  302.353   7.5007 5.406128 21.41578 
1 1 1    5    8   24 o  228.956   4.1924  8002.21  292.976  6026.40  533.554  8855.11  350.552  198.599   8.8021  240.839   4.7688 -42.24031 10.01087 
1 1 1    5    8   25 o  333.776   4.9175 17008.45  500.978 16662.09  674.813 17433.74  747.770  330.306   6.6934  337.847   7.2515 -7.540985 9.868489 
1 1 1    5    8   26 o  230.693   3.9764  8124.00  279.991  8105.86  469.043  8134.04  348.992  230.380   6.6704  230.818   4.9537 -0.4386292 8.308617 
1 1 1    5    8   27 o  188.453   3.0841  5420.82  177.398  5797.14  245.785  5011.60  256.304  194.871   4.1323  181.180   4.6348 13.69060 6.209416 
1 1 1    5    8   28 o  155.586   2.5622  3694.72  121.676  3952.74  174.814  3452.26  169.463  160.917   3.5592  150.384   3.6920 10.53337 5.128242 
1 1 1    5    8   29 o  643.529   8.2465 63293.77  1619.78 64162.43  2240.08 62341.86  2344.95  647.507   11.334  638.141   12.039 9.365784 16.53523 
1 1 1    5    8   30 o  391.379   5.9133 23396.90  706.395 25808.28  1701.89 22895.01  776.436  410.292   13.590  387.119   6.5712 23.17349 15.09535 
1 1 1    5    8   31 o  412.753   8.6308 26055.60  1087.32 26223.41  1162.66 24885.10  3070.62  414.019   9.2005  399.368   25.321 14.65118 26.94117 
1 1 1    5    8   32 o  197.264   4.1096  5941.99  247.437  6325.60  632.679  5872.72  268.851  202.976   10.245  196.100   4.4918 6.875153 11.18676 
1 1 1    5    8   33 o  275.880   5.8397 11630.62  491.736 11582.75  555.907 11802.79  1054.28  275.261   6.6167  277.266   12.458 -2.005096 14.10598 
1 1 1    5    8   34 o  228.671   3.7716  7985.10  263.239  7987.03  334.743  7981.98  426.141  228.655   4.7964  228.512   6.1098 0.1436462 7.767559 
1 1 1    5    8   35 o  578.910   7.3426 51277.88  1297.41 52782.50  2342.06 50611.74  1558.37  585.697   13.101  574.795   8.8826 10.90204 15.82847 
1 1 1    5    8   36 o  380.991   5.0766 22181.39  590.342 23328.43  854.599 21134.49  816.445  390.461   7.1708  371.644   7.1975 18.81750 10.15995 
1 1 1    5    8   37 o  195.938   3.0568  5861.95  182.811  5946.00  249.365  5764.30  268.796  197.295   4.1410  194.239   4.5339 3.055862 6.140317 
1 1 1    5    8   38 o  222.772   3.0241  7577.67  205.626  7404.51  310.115  7713.53  274.695  220.135   4.6155  224.715   4.0050 -4.580460 6.110858 
1 1 1    5    8   39 o  125.465   3.0782  2403.69  117.880  1944.97  169.534  2833.05  164.018  112.809   4.9238  136.185   3.9459 -23.37580 6.309797 
1 1 1    5    8   40 o  306.796   7.4678 14415.48  699.296 14355.83  1834.42 14425.63  756.414  302.261   19.997  306.811   8.0774 -4.550354 21.56650 
1 1 1    5    8   41 o  214.969   5.4622  7066.48  358.390  7701.00  741.418  6873.00  409.398  223.756   10.856  211.933   6.3289 11.82304 12.56617 
1 1 1    5    8   42 o  223.622   3.2394  7637.19  221.107  7852.26  314.417  7426.77  310.995  226.669   4.5446  220.437   4.6222 6.232162 6.482173 
1 1 1    5    8   43 o  146.438   2.9035  3274.58  129.773  3198.92  206.424  3324.02  166.874  144.667   4.6749  147.512   3.7063 -2.844421 5.965898 
1 1 1    5    8   44 o  230.569   3.6360  8120.95  255.884  8216.39  294.248  7824.86  518.276  231.886   4.1574  225.972   7.5143 5.913834 8.587725 
1 1 1    5    8   45 o  176.117   3.3347  4737.45  179.256  4706.71  227.767  4787.48  290.559  175.500   4.2520  176.929   5.3804 -1.428955 6.857772 
1 1 1    5    8   46 o   93.607   2.7518  1337.97   78.621  1489.22  144.520  1274.39   93.699   98.699   4.7973   91.343   3.3608 7.356422 5.857402 
1 1 1    5    8   47 o  160.598   3.6382  3940.11  178.339  3975.93  711.292  3937.70  184.224  159.434   14.785  160.544   3.7595 -1.110168 15.25547 
1 1 1    5    8   48 o  319.122   5.4958 15579.14  535.313 16180.57  820.414 15133.25  706.407  324.730   8.2774  314.222   7.3655 10.50766 11.07997 
1 1 1    5    8   49 f   54.190   2.8243  449.677   46.552  517.769  112.566  435.629   51.130   57.785   6.4948   53.312   3.1562 4.472942 7.221085 
1 1 1    5    8   50 o  126.596   2.8344  2447.59  109.520  2473.25  184.591  2433.65  136.054  127.175   4.7554  126.210   3.5318 0.9651413 5.923520 
1 1 1    5    8   51 o  217.542   2.7506  7227.52  182.634  7385.56  256.222  7064.29  260.395  219.834   3.8186  214.988   3.9683 4.846420 5.507169 
1 1 1    5    8   52 o  206.523   2.9827  6515.17  188.015  6987.72  243.151  5812.50  296.503  213.827   3.7256  194.908   4.9841 18.91881 6.222614 
1 1 1    5    8   53 o  145.376   2.3473  3227.33  104.154  3413.60  149.496  3051.63  145.191  149.468   3.2769  141.317   3.3661 8.151276 4.697749 
1 1 1    5    8   54 o   60.299   3.7315  557.966   68.339  534.696   94.285  583.722   99.192   58.852   5.3060   61.507   5.3365 -2.655819 7.525396 
1 1 1    5    8   55 o  305.015   4.1430 14231.92  385.706 14599.10  546.670 13867.95  544.278  308.571   5.8043  300.715   5.9299 7.856812 8.297849 
1 1 1    5    8   56 o  124.044   3.0081  2351.53  113.890  2403.69  147.324  2274.07  179.544  125.355   3.8505  121.848   4.8277 3.507385 6.175141 
1 1 1    5    8   57 o  104.389   2.8213  1665.39   89.891  1933.80  157.353  1535.36  109.521  112.356   4.5884  100.188   3.5815 12.16817 5.820704 
1 1 1    5    8   58 o   30.750   5.5431  149.601   50.110  176.938   72.092  124.046   69.702   33.232   7.3065   27.948   7.8483 5.284452 10.72285 
1 1 1    5    8   59 o  156.476   2.7320  3743.25  130.479  3932.49  191.545  3579.42  178.224  160.234   3.9165  152.885   3.8193 7.348892 5.470479 
1 1 1    5    8   60 o   66.583   5.0055  684.870  100.981  818.987  582.918  680.721  102.531   68.913   23.308   66.365   5.1008 2.548477 23.85972 
1 1 1    5    8   61 o  112.163   3.1886  1925.73  109.162  1941.90  142.813  1903.00  169.301  112.514   4.1586  111.257   4.9856 1.256943 6.492279 
1 1 1    5    9    0 o  137.414   8.1494  2913.25  339.048  2913.25  339.048  2913.25  339.048  137.414   8.1494  137.414   8.1494 -0.000000 0.000000 
1 1 1    5    9    1 o  567.513   16.717 49336.64  2895.72 48499.83  4095.32 50173.31  4095.00  561.583   23.892  571.263   23.486 -9.680054 33.50240 
1 1 1    5    9    2 o  215.776   6.1020  7109.00  401.872  7238.79  971.190  7082.19  441.438  216.977   14.752  215.357   6.7157 1.619705 16.20905 
1 1 1    5    9    3 o  117.817   7.6234  2128.86  272.673  1852.67  385.080  2406.60  386.157  109.460   11.708  125.075   10.204 -15.61534 15.53031 
1 1 1    5    9    4 o   19.995   5.0936   63.388   31.173   62.478   32.294   75.832  119.371   19.877   5.2463   27.103   10.356 -7.226547 11.60940 
1 1 1    5    9    5 o  372.317   8.9001 21176.71  1011.41 21807.60  2626.85 21066.91  1095.90  376.037   22.997  371.316   9.6696 4.721191 24.94766 
1 1 1    5    9    6 o  203.830   4.5091  6342.16  280.527  5623.09  416.594  6938.73  379.452  191.890   7.1128  213.182   5.8316 -21.29242 9.197839 
1 1 1    5    9    7 o  850.011   34.673 111949.40  8995.72   0.0000   0.0000 111949.40  8995.72  ?   ?   850.011   34.673 0.000000 34.67326 
1 1 1    5    9    8 o  306.556   19.410 14466.76  1806.81   0.0000   0.0000 14466.76  1806.81  ?   ?   306.556   19.410 0.000000 19.41034 
1 1 1    5    9   11 o  137.193   11.846  2898.76  491.162   0.0000   0.0000  2898.76  491.162  ?   ?   137.193   11.846 0.000000 11.84557 
1 1 1    5    9   12 o  179.652   3.9554  4926.44  216.891  4873.67  237.708  5188.76  529.981  178.683   4.3586  184.045   9.4665 -5.362274 10.42173 
1 1 1    5    9   13 o  106.916   2.9753  1744.70   97.094  1841.19  105.465  1208.20  248.684  109.832   3.1460   88.435   9.3551 21.39680 9.869959 
1 1 1    5    9   14 o  370.324   9.2477 20951.83  1045.28 21184.08  1150.08 19848.93  2506.23  372.331   10.120  358.714   23.012 13.61661 25.13883 
1 1 1    5    9   15 o  254.918   6.4741  9922.59  503.734 10312.29  553.499  8043.14  1215.54  259.865   6.9784  228.450   17.567 31.41505 18.90247 
1 1 1    5    9   16 f  511.503   9.8052 39979.28  1530.82 41488.45  2165.40 38471.50  2164.41  520.761   13.623  501.422   14.142 19.33917 19.63663 
1 1 1    5    9   17 o  445.071   27.170 30641.55  3673.27 30641.55  3673.27   0.0000   0.0000  445.071   27.170  ?   ?  0.000000 27.17011 
1 1 1    5    9   18 o  219.796   6.3093  7376.76  423.274  7275.68  458.867  7953.52  1096.11  218.274   6.8876  227.344   15.896 -9.070251 17.32432 
1 1 1    5    9   19 o  449.034   9.0037 30806.49  1234.01 31947.21  1433.98 27550.71  2422.59  457.193   10.276  423.839   18.727 33.35413 21.36092 
1 1 1    5    9   20 o  605.225   8.6184 55961.12  1592.06 53965.16  2083.58 58761.41  2467.95  594.086   11.491  619.753   13.047 -25.66766 17.38535 
1 1 1    5    9   21 o  353.053   6.2292 19033.45  671.262 20073.80  992.885 18157.60  911.007  362.462   8.9747  344.742   8.6578 17.71957 12.47009 
1 1 1    5    9   22 o  439.130   7.5070 29454.02  1006.18 27645.88  3441.76 29622.99  1052.14  422.491   26.829  440.371   7.8278 -17.88028 27.94761 
1 1 1    5    9   23 o  111.049   4.1003  1882.46  138.978  1974.64  186.180  1766.47  208.857  113.724   5.3637  107.362   6.4027 6.362343 8.352459 
1 1 1    5    9   24 o  861.946   15.932 113850.50  4191.39 116361.50  9238.16 113199.60  4703.34  864.629   35.006  859.006   17.939 5.622742 39.33443 
1 1 1    5    9   25 o  406.395   6.6195 25223.77  821.085 25618.20  1209.54 24886.66  1118.21  409.386   9.6799  403.537   9.0787 5.848480 13.27112 
1 1 1    5    9   26 o  499.530   8.1205 38127.15  1238.11 40284.41  1751.01 35970.20  1750.89  513.190   11.179  484.866   11.831 28.32425 16.27686 
1 1 1    5    9   27 o  609.962   7.9703 56851.50  1483.86 53212.28  2617.14 58575.65  1801.39  589.249   14.552  618.974   9.5350 -29.72510 17.39725 
1 1 1    5    9   28 o  663.441   8.0304 67268.79  1626.13 67202.80  2249.26 67341.04  2353.69  662.681   11.120  663.278   11.626 -0.5966797 16.08817 
1 1 1    5    9   29 o  642.588   9.0473 63147.18  1774.46 59955.62  2721.76 65506.58  2340.18  625.176   14.264  654.022   11.723 -28.84607 18.46295 
1 1 1    5    9   30 o  297.275   3.7696 13492.28  342.031 13989.14  525.837 13127.90  450.309  302.618   5.6930  293.185   5.0321 9.432648 7.598173 
1 1 1    5    9   31 o  134.660   2.9421  2768.16  120.924  3060.36  179.576  2525.73  163.568  141.568   4.1559  128.609   4.1669 12.95882 5.885087 
1 1 1    5    9   32 o  655.333   10.479 65821.95  2096.08 70392.09  2963.66 61247.81  2964.96  676.437   14.354  630.591   15.405 45.84589 21.05595 
1 1 1    5    9   33 o  359.076   4.6753 19695.95  512.400 21079.18  926.231 19085.93  615.096  371.106   8.1772  353.390   5.7026 17.71616 9.969256 
1 1 1    5    9   34 o  308.352   3.9868 14521.50  375.226 14313.67  734.752 14594.83  436.426  305.799   7.8720  309.089   4.6261 -3.289185 9.130681 
1 1 1    5    9   35 o  122.618   2.4974  2295.26   93.466  2353.65  175.569  2272.17  110.412  124.119   4.6344  121.991   2.9653 2.127556 5.501893 
1 1 1    5    9   36 f  241.442   3.5598  8902.48  262.338  8626.81  466.855  9029.69  317.144  237.488   6.4405  243.124   4.2738 -5.635239 7.729544 
1 1 1    5    9   37 o  283.702   4.0515 12294.80  350.827 12494.58  485.884 12077.20  507.082  285.878   5.5685  281.031   5.9116 4.847229 8.121272 
1 1 1    5    9   38 o  255.023   4.1210  9935.52  320.772 10686.31  543.066  9533.22  397.530  264.256   6.7330  249.729   5.2154 14.52710 8.516665 
1 1 1    5    9   39 o  253.946   9.8461  9902.42  763.171 10087.61  1333.40  9812.20  930.686  254.136   17.293  252.395   12.081 1.740677 21.09491 
1 1 1    5    9   40 o  168.459   4.7871  4337.51  246.143  4304.91  282.472  4440.36  501.727  167.783   5.5158  169.767   9.7232 -1.983963 11.17875 
1 1 1    5    9   41 o  173.556   3.6785  4601.21  194.861  4742.02  270.255  4448.75  281.223  176.120   5.0275  170.563   5.4019 5.556091 7.379440 
1 1 1    5    9   42 o   87.902   2.9842  1179.93   80.066  1178.99  132.031  1180.48  100.693   87.678   4.9539   87.906   3.7529 -0.2276840 6.214935 
1 1 1    5    9   43 o  369.728   11.146 21050.88  1257.78 21067.03  1446.06 21000.68  2549.20  369.332   12.828  363.299   23.109 6.033447 26.43083 
1 1 1    5    9   44 f  289.576   4.7335 12818.31  418.376 12826.79  521.853 12803.05  699.964  289.539   5.9051  288.972   7.9360 0.5670471 9.891928 
1 1 1    5    9   45 o  201.705   3.6799  6215.24  226.551  6168.17  375.755  6242.12  283.970  200.760   6.1321  202.083   4.6039 -1.323135 7.668041 
1 1 1    5    9   46 o  178.235   3.9725  4853.95  216.109  4923.43  552.086  4841.38  234.850  178.628   10.168  177.984   4.3231 0.6441498 11.04892 
1 1 1    5    9   47 o  196.163   3.0187  5876.69  180.737  6021.87  518.375  5856.60  192.837  198.068   8.5746  195.817   3.2264 2.250824 9.161521 
1 1 1    5    9   48 o  154.565   2.9543  3648.58  139.376  3657.32  176.008  3633.89  228.231  154.717   3.7272  154.159   4.8505 0.5577850 6.117120 
1 1 1    5    9   49 o   75.452   3.4308  869.715   79.010  932.815  128.288  831.154  100.287   77.893   5.4300   73.597   4.4859 4.295563 7.043252 
1 1 1    5    9   50 o  274.429   3.8095 11509.04  319.093 11705.69  544.787 11406.35  393.693  276.412   6.4573  273.102   4.7230 3.309235 8.000230 
1 1 1    5    9   51 o  232.242   3.4998  8241.55  248.089  8541.50  352.926  7948.56  348.810  236.291   4.8935  227.928   5.0139 8.362778 7.006091 
1 1 1    5    9   52 o  206.716   2.9476  6527.56  185.978  6982.02  290.939  6213.56  241.840  213.659   4.4613  201.608   3.9301 12.05127 5.945509 
1 1 1    5    9   53 o  157.173   3.7254  3776.34  178.717  3718.55  234.470  3856.47  276.086  155.868   4.9285  158.654   5.7014 -2.785599 7.536271 
1 1 1    5    9   54 o   65.569   2.9606  656.895   59.250  688.483   79.053  616.404   89.502   66.987   3.8831   63.291   4.6660 3.696445 6.070445 
1 1 1    5    9   55 f  136.407   2.6455  2842.59  110.145  3027.40  159.630  2674.64  152.175  140.699   3.7171  132.244   3.7701 8.454895 5.294369 
1 1 1    5    9   56 o  126.599   3.4185  2450.82  132.095  2449.10  144.325  2459.73  327.887  126.530   3.7371  125.887   8.5847 0.6431580 9.362828 
1 1 1    5    9   57 o   71.763   3.5629  787.876   78.041   0.0000   0.0000  787.876   78.041  ?   ?    71.763   3.5629 0.000000 3.562935 
1 1 1    5    9   58 o  181.297   4.9152  5043.29  271.989  5822.42  620.317  4857.85  302.631  192.648   10.590  177.795   5.5767 14.85277 11.96877 
1 1 1    5    9   59 o   87.931   2.4999  1181.85   67.092  1177.90  146.964  1182.89   75.409   87.341   5.5415   87.951   2.8091 -0.6101608 6.212849 
1 1 1    5    9   60 o  193.353   5.0070  5746.26  295.494  6037.98  343.770  4920.87  578.241  197.996   5.6885  176.360   10.794 21.63524 12.20127 
1 1 1    5   10    1 o  1012.83   61.676 164552.00 18975.54 164552.00 18975.54   0.0000   0.0000  1012.83   61.676  ?   ?  0.000000 61.67588 
1 1 1    5   10    2 o  153.511   12.209  3625.80  567.306  3625.80  567.306   0.0000   0.0000  153.511   12.209  ?   ?  0.000000 12.20853 
1 1 1    5   10    3 o  250.641   6.4067  9592.14  490.120  9412.15  583.568 10023.05  902.964  248.250   7.7017  256.061   11.553 -7.811020 13.88512 
1 1 1    5   10    4 o  770.776   25.987 91429.44  6113.58 96652.48 10590.46 88818.97  7487.07  785.070   44.378  757.950   32.363 27.11957 54.92571 
1 1 1    5   10    5 o  1087.82   26.109 182124.00  8668.90   0.0000   0.0000 182124.00  8668.90  ?   ?   1087.82   26.109 0.000000 26.10906 
1 1 1    5   10    6 o  306.970   19.448 14505.40  1812.77   0.0000   0.0000 14505.40  1812.77  ?   ?   306.970   19.448 0.000000 19.44822 
1 1 1    5   10    7 o  427.843   26.127 28274.79  3395.48   0.0000   0.0000 28274.79  3395.48  ?   ?   427.843   26.127 0.000000 26.12681 
1 1 1    5   10    8 o  775.351   19.572 92183.50  4631.79 102518.70 11073.61 89991.91  5099.29  808.279   45.065  765.637   21.821 42.64221 50.07021 
1 1 1    5   10    9 o  927.153   24.874 132202.50  7039.03 132202.50  7039.03   0.0000   0.0000  927.153   24.874  ?   ?  0.000000 24.87393 
1 1 1    5   10   12 o  826.648   49.824 107990.90 12512.49   0.0000   0.0000 107990.90 12512.49  ?   ?   826.648   49.824 0.000000 49.82418 
1 1 1    5   10   13 o  367.837   8.7279 20669.72  979.898   0.0000   0.0000 20669.72  979.898  ?   ?   367.837   8.7279 0.000000 8.727861 
1 1 1    5   10   14 f  359.408   6.9980 19726.44  767.678 20380.67  1141.64 19186.44  1037.19  365.183   10.242  354.353   9.5897 10.82999 14.03095 
1 1 1    5   10   15 o  776.810   14.196 92344.45  3365.76 89775.66  3705.66 104451.50  8044.90  765.669   15.856  821.546   32.083 -55.87665 35.78732 
1 1 1    5   10   16 o  610.707   14.297 57080.47  2664.96 56343.58  2888.69 61292.46  6906.26  606.588   15.602  627.037   36.240 -20.44971 39.45592 
1 1 1    5   10   17 o  438.690   8.1278 29397.53  1088.29 29408.97  1144.43 29289.42  3517.99  438.754   8.5458  435.111   26.618 3.643005 27.95594 
1 1 1    5   10   18 o  407.253   7.4138 25331.60  921.553 25600.36  1304.66 25063.98  1301.89  409.247   10.445  404.932   10.534 4.315460 14.83398 
1 1 1    5   10   19 o  679.807   15.108 70766.77  3134.77 69585.22  3642.52 74140.86  6155.39  673.682   17.715  692.655   29.115 -18.97327 34.08091 
1 1 1    5   10   20 o  108.304   4.4830  1790.65  148.194  2108.15  549.576  1765.76  153.894  116.241   15.907  107.547   4.6882 8.694107 16.58382 
1 1 1    5   10   21 o  353.559   6.7945 19090.78  733.224 17526.27  1143.58 20182.91  955.464  338.561   11.067  363.452   8.6129 -24.89120 14.02321 
1 1 1    5   10   22 o  281.481   5.2082 12096.92  447.463 11517.63  662.588 12582.63  606.714  274.581   7.9060  287.028   6.9254 -12.44775 10.51025 
1 1 1    5   10   23 o  586.180   13.350 52595.45  2388.49 56348.43  4384.11 51011.32  2848.32  604.781   23.750  576.882   16.177 27.89954 28.73582 
1 1 1    5   10   24 o  298.801   5.2278 13632.07  476.783 14719.83  646.081 12331.31  706.511  310.441   6.8185  284.089   8.1479 26.35123 10.62455 
1 1 1    5   10   25 o  495.278   7.0012 37470.55  1058.38 36062.76  1316.40 40044.07  1779.86  485.747   8.8790  511.609   11.398 -25.86261 14.44823 
1 1 1    5   10   26 o  227.540   3.7493  7903.66  260.388  7942.62  419.435  7879.23  332.142  228.047   6.0259  227.167   4.7903 0.8802795 7.697963 
1 1 1    5   10   27 o  359.265   4.4572 19706.90  488.756 21011.61  957.685 19247.40  568.344  370.744   8.4631  355.021   5.2449 15.72379 9.956604 
1 1 1    5   10   28 o  180.183   3.1123  4955.93  171.165  4877.15  286.329  4999.73  213.516  178.702   5.2495  180.964   3.8656 -2.262314 6.519240 
1 1 1    5   10   29 o  298.377   4.9540 13597.12  451.173 14607.47  639.330 12594.78  636.786  309.163   6.7752  287.044   7.2682 22.11856 9.936295 
1 1 1    5   10   30 o   83.344   3.1613  1060.44   80.418  971.362  130.901  1114.45  101.919   79.555   5.4232   85.432   3.9086 -5.876785 6.684907 
1 1 1    5   10   31 o  474.530   9.5882 34491.45  1388.73 36722.04  2902.84 33829.41  1581.44  486.825   19.536  469.674   11.032 17.15021 22.43544 
1 1 1    5   10   32 f  282.886   3.9058 12220.96  337.239 12745.10  609.178 11989.34  404.953  288.678   6.9137  280.147   4.7359 8.531006 8.380245 
1 1 1    5   10   33 o  377.421   5.5807 21771.97  642.878 21526.32  1057.69 21915.89  809.591  374.790   9.2459  378.501   7.0078 -3.710510 11.60157 
1 1 1    5   10   34 o  515.245   7.4273 40630.86  1168.05 41067.52  1921.43 40374.91  1471.07  516.762   12.182  513.182   9.3917 3.580627 15.38197 
1 1 1    5   10   35 f  110.734   2.8066  1872.14   94.859  2082.48  172.718  1781.29  113.511  116.739   4.8473  108.002   3.4434 8.737236 5.945903 
1 1 1    5   10   36 o  116.368   3.1815  2067.79  113.001  2158.05  172.513  1999.95  149.551  118.837   4.7561  114.416   4.2824 4.421448 6.399963 
1 1 1    5   10   37 o  500.630   8.2436 38407.42  1259.65 40010.67  1859.08 37046.64  1712.74  509.816   11.947  490.747   11.434 19.06943 16.53732 
1 1 1    5   10   38 f  247.635   4.6486  9371.58  351.358  9357.56  520.518  9383.32  476.222  247.245   6.8975  247.647   6.3003 -0.4022675 9.341763 
1 1 1    5   10   39 o  422.484   6.1632 27309.36  794.759 28017.34  973.994 25898.75  1374.82  427.672   7.4615  410.297   10.978 17.37482 13.27384 
1 1 1    5   10   40 o   83.167   2.8476  1056.17   72.284  880.929  116.675  1165.32   92.085   75.739   5.0765   87.347   3.4540 -11.60853 6.140093 
1 1 1    5   10   41 o  188.844   4.6293  5450.83  266.833  5758.45  370.331  5118.70  384.804  193.977   6.2549  182.829   6.8957 11.14748 9.309912 
1 1 1    5   10   42 o  231.754   5.0148  8211.88  354.730  8144.46  369.079  9028.69  1284.69  230.782   5.2396  239.896   17.669 -9.114594 18.42999 
1 1 1    5   10   43 o   39.456   3.3140  239.456   39.540  270.222   47.432  169.372   71.588   41.890   3.7493   32.606   7.3669 9.284195 8.266139 
1 1 1    5   10   44 o  246.979   4.0703  9320.65  306.832  9938.82  519.519  8989.51  380.232  254.770   6.6809  242.463   5.1379 12.30731 8.428094 
1 1 1    5   10   45 o  111.308   2.8082  1891.90   95.404  1864.32  392.395  1893.64   98.355  109.302   11.957  111.357   2.8938 -2.054741 12.30215 
1 1 1    5   10   46 o  171.156   3.1654  4474.19  165.365  4300.88  504.797  4495.03  175.023  166.933   9.9526  171.546   3.3427 -4.612991 10.49892 
1 1 1    5   10   47 o  244.338   3.4344  9119.91  256.127  9306.77  465.339  9038.70  306.778  246.560   6.1834  243.195   4.1329 3.365265 7.437453 
1 1 1    5   10   48 o   88.326   2.5369  1191.26   68.392  1270.46  141.365  1167.06   78.146   90.994   5.1106   87.416   2.9289 3.578354 5.890364 
1 1 1    5   10   49 o  182.852   2.3934  5105.27  133.577  4949.10  189.621  5259.11  188.199  179.982   3.4518  185.541   3.3232 -5.558823 4.791499 
1 1 1    5   10   50 o  154.705   3.2971  3656.51  155.688  3674.56  201.152  3629.53  245.873  155.031   4.2510  154.007   5.2306 1.024307 6.740214 
1 1 1    5   10   51 o  165.813   2.6467  4199.07  133.948  4339.84  280.205  4157.37  152.502  168.363   5.4527  164.968   3.0287 3.394348 6.237406 
1 1 1    5   10   52 o   30.573   6.8246  149.067   62.071  146.759  111.233  150.111   74.801   31.325   10.169   30.678   7.9305 0.6475582 12.89612 
1 1 1    5   10   53 o   94.232   2.5739  1356.32   74.031  1392.40   94.392  1298.67  119.331   95.453   3.2399   92.140   4.2432 3.313904 5.338634 
1 1 1    5   10   54 o  331.969   4.4112 16865.83  446.963 18704.04  760.715 15896.66  552.363  348.794   7.1456  322.007   5.6201 26.78717 9.090888 
1 1 1    5   10   55 o  216.057   2.9230  7133.95  192.756  7759.24  253.368  6274.80  296.996  225.234   3.6855  202.388   4.8078 22.84541 6.057922 
1 1 1    5   10   56 o  229.784   4.7135  8091.50  330.581  9921.60  1176.99  7934.76  344.446  248.970   15.567  227.497   4.9605 21.47311 16.33787 
1 1 1    5   10   57 o   91.245   2.8781  1272.84   80.154  1628.31  387.869  1256.98   81.922  100.776   12.906   90.670   2.9602 10.10585 13.24160 
1 1 1    5   10   58 o   86.793   2.8223  1151.86   74.765  1310.46   98.975  941.113  114.096   92.526   3.5047   78.162   4.8058 14.36389 5.947952 
1 1 1    5   10   59 o   18.576   6.0212   51.512   39.004 -45.1025   64.581  106.989   48.938   14.292   6.5495   25.829   6.2706 -11.53614 9.067352 
1 1 1    5   10   60 o  139.233   4.7904  2979.27  203.578  2997.40  218.440  2859.51  561.510  139.585   5.1271  132.295   14.124 7.290253 15.02599 
1 1 1    5   11    0 o  980.034   58.834 151230.70 17453.74 151230.70 17453.74 151230.70 17453.74  980.034   58.834  980.034   58.834 0.000000 0.000000 
1 1 1    5   11    1 o  900.857   30.410 125295.70  8361.55 123870.70 14482.04 126008.30 10240.97  883.375   53.970  900.821   37.247 -17.44562 65.57522 
1 1 1    5   11    2 o  689.690   23.304 73090.99  4905.76 70856.63  8496.07 74208.55  6008.64  672.886   41.571  693.804   28.374 -20.91730 50.33140 
1 1 1    5   11    3 f  745.863   30.956 85929.03  7047.23   0.0000   0.0000 85929.03  7047.23  ?   ?   745.863   30.956 0.000000 30.95581 
1 1 1    5   11    4 o  797.650   33.262 98461.86  8098.11   0.0000   0.0000 98461.86  8098.11  ?   ?   797.650   33.262 0.000000 33.26244 
1 1 1    5   11    5 o  588.168   24.226 53189.62  4349.17   0.0000   0.0000 53189.62  4349.17  ?   ?   588.168   24.226 0.000000 24.22636 
1 1 1    5   11    6 o  293.608   7.2345 13164.81  648.329 12846.83  772.086 13925.16  1193.90  289.996   8.7228  301.744   12.963 -11.74774 15.62475 
1 1 1    5   11    7 o  1086.30   36.383 183174.70 12063.24 199695.09 20896.48 174917.30 14773.56  1115.37   61.620  1056.33   45.821 59.03845 76.78965 
1 1 1    5   11    8 o  292.102   18.915 13136.25  1677.38   0.0000   0.0000 13136.25  1677.38  ?   ?   292.102   18.915 0.000000 18.91547 
1 1 1    5   11    9 f  265.109   7.3814 10733.67  597.284 10259.94  655.781 13039.29  1446.73  259.168   8.2901  291.336   16.335 -32.16772 18.31868 
1 1 1    5   11   10 o  421.493   8.2437 27137.10  1060.54 26840.28  1499.80 27433.94  1499.87  418.987   11.728  423.604   11.601 -4.616669 16.49582 
1 1 1    5   11   11 o  195.387   6.2669  5829.19  373.737  5829.19  373.737   0.0000   0.0000  195.387   6.2669  ?   ?  0.000000 6.266913 
1 1 1    5   11   12 o  248.775   16.822  9524.63  1269.83   0.0000   0.0000  9524.63  1269.83  ?   ?   248.775   16.822 0.000000 16.82210 
1 1 1    5   11   14 o  474.551   10.748 34424.38  1556.84 35521.68  1714.18 29256.88  3719.92  481.986   11.652  434.509   28.202 47.47653 30.51388 
1 1 1    5   11   15 o  856.574   20.622 112663.50  5391.65 109472.00  5844.74 130887.00 13966.37  843.810   22.694  908.164   50.586 -64.35400 55.44308 
1 1 1    5   11   16 o  762.107   26.105 89529.66  6072.32 88359.64  7439.24 91865.55 10511.38  755.125   32.277  763.144   45.330 -8.018860 55.64757 
1 1 1    5   11   17 o  593.872   8.8883 53887.58  1611.12 54944.63  2042.36 52146.08  2621.48  599.463   11.162  583.593   14.717 15.86932 18.47123 
1 1 1    5   11   18 o  430.221   8.8430 28280.81  1161.21 27953.38  1433.50 28905.72  1980.37  427.584   10.984  434.465   14.934 -6.881500 18.53831 
1 1 1    5   11   19 o  858.033   20.958 113131.50  5488.83 107072.30  6551.35 127400.70 10053.69  833.282   25.759  904.294   36.425 -71.01257 44.61253 
1 1 1    5   11   20 o  501.295   9.4454 38406.03  1445.20 40811.52  2046.69 36013.96  2040.98  516.424   12.985  485.038   13.786 31.38644 18.93833 
1 1 1    5   11   21 o  726.105   19.245 80962.21  4265.15 76949.67  4695.30 99900.59 10200.58  707.277   21.750  796.274   42.120 -88.99664 47.40448 
1 1 1    5   11   22 o  324.260   8.3888 16066.22  830.249 15635.03  2007.05 16155.24  911.933  318.204   20.779  325.117   9.1898 -6.913239 22.72052 
1 1 1    5   11   23 o  435.282   7.7901 28948.34  1034.98 28772.77  1083.19 30789.88  3508.05  433.935   8.1783  445.644   25.902 -11.70932 27.16273 
1 1 1    5   11   24 o  622.349   9.7395 59222.80  1850.07 59422.52  2617.51 59023.42  2615.27  622.800   13.770  620.700   13.804 2.101013 19.49781 
1 1 1    5   11   25 o  353.599   5.5413 19094.43  598.054 18585.46  959.286 19418.02  764.899  348.658   9.0143  356.508   7.0294 -7.850250 11.43108 
1 1 1    5   11   26 o  481.344   6.6402 35398.02  975.565 35514.04  1251.22 35218.13  1557.99  481.961   8.5056  479.704   10.641 2.257813 13.62251 
1 1 1    5   11   27 o  273.323   4.5215 11407.57  377.207 10680.70  484.401 12527.37  601.236  264.413   6.0021  286.314   6.8800 -21.90097 9.130148 
1 1 1    5   11   28 o  142.047   3.2393  3080.35  140.444  3110.46  327.621  3073.57  155.451  142.430   7.5633  141.885   3.5896 0.5454559 8.371886 
1 1 1    5   11   29 o  753.479   14.295 87302.87  3287.57 88602.66  4058.22 84821.30  5607.41  757.614   17.550  737.023   24.927 20.59113 30.48495 
1 1 1    5   11   30 o  498.276   7.0523 37969.39  1072.56 41505.77  1984.97 36511.13  1274.66  519.802   12.511  488.375   8.5511 31.42706 15.15430 
1 1 1    5   11   31 o  218.470   4.2582  7290.13  283.945  7923.45  747.152  7183.22  306.977  227.248   10.772  216.845   4.6381 10.40268 11.72798 
1 1 1    5   11   32 o  236.390   3.6234  8533.58  261.437  7393.71  505.233  8950.40  305.521  219.798   7.5310  242.071   4.1351 -22.27309 8.591537 
1 1 1    5   11   33 o  165.607   3.3859  4188.00  171.148  3976.23  299.713  4290.47  208.483  161.256   6.0894  167.598   4.0755 -6.341522 7.327367 
1 1 1    5   11   34 o   27.154   4.4150  115.557   35.335  108.011   62.801  119.052   42.743   26.248   7.4773   27.446   5.2941 -1.197784 9.161738 
1 1 1    5   11   35 o  169.238   3.6368  4374.39  187.859  4657.16  292.919  4176.82  244.843  174.535   5.4986  165.322   4.8522 9.213196 7.333359 
1 1 1    5   11   36 o  206.215   4.1394  6496.62  260.542  6811.42  386.329  6234.00  352.864  211.030   5.9979  201.907   5.7258 9.122940 8.292149 
1 1 1    5   11   37 o  274.692   4.2636 11528.99  357.469 12451.15  574.247 10945.56  456.759  285.234   6.5960  267.538   5.5935 17.69519 8.648383 
1 1 1    5   11   38 o  194.109   3.9018  5756.05  231.169  6042.17  448.151  5652.33  269.839  198.610   7.3928  192.313   4.5970 6.296432 8.705497 
1 1 1    5   11   39 o  223.151   3.8727  7607.52  263.773  7732.36  427.872  7530.99  335.003  224.786   6.2363  221.952   4.9451 2.833984 7.958968 
1 1 1    5   11   40 o  176.881   5.2359  4784.22  282.675  4759.30  296.539  5032.16  935.400  176.401   5.5076  178.864   17.352 -2.463089 18.20529 
1 1 1    5   11   41 o  209.277   3.2718  6689.17  208.992  6404.77  301.770  6951.31  289.718  204.684   4.8303  213.266   4.4508 -8.581970 6.568202 
1 1 1    5   11   42 o  100.765   2.7592  1550.44   84.861  1516.76  107.328  1606.61  138.608   99.646   3.5289  102.528   4.4292 -2.881653 5.663108 
1 1 1    5   11   43 f   94.896   2.6885  1375.05   77.871  1399.54  138.310  1363.69   94.224   95.682   4.7359   94.491   3.2670 1.191643 5.753478 
1 1 1    5   11   44 o  200.579   4.2882  6148.55  262.532  5768.47  861.885  6187.43  275.630  192.265   14.801  201.199   4.4883 -8.933487 15.46628 
1 1 1    5   11   45 o  183.769   3.4069  5158.58  191.095  5407.05  586.432  5129.06  202.128  187.167   10.305  183.232   3.6142 3.934692 10.92043 
1 1 1    5   11   46 o  112.786   3.1599  1942.92  108.781  1888.20  289.308  1951.93  117.395  110.561   8.6419  113.040   3.4025 -2.478981 9.287625 
1 1 1    5   11   47 o  225.409   3.4591  7762.14  237.986  8137.32  308.472  7210.45  374.059  230.720   4.3804  217.063   5.6460 13.65672 7.145955 
1 1 1    5   11   48 o  142.142   2.8292  3085.71  122.744  3044.60  151.999  3162.77  208.105  141.163   3.5278  143.810   4.7411 -2.646637 5.909573 
1 1 1    5   11   49 o  269.042   4.2807 11066.69  351.520 11443.32  573.758 10840.37  444.767  273.190   6.8809  266.123   5.4756 7.066223 8.793723 
1 1 1    5   11   50 o  126.167   2.7258  2431.23  104.967  2440.73  154.428  2423.07  143.109  126.355   4.0042  125.912   3.7238 0.4432297 5.468088 
1 1 1    5   11   51 o   99.179   2.3614  1502.14   71.482  1535.72   98.627  1464.97  103.750  100.253   3.2231   97.907   3.4718 2.345947 4.737306 
1 1 1    5   11   52 o  229.193   4.6756  8039.07  327.080  8134.24  422.888  7897.38  516.008  230.334   6.0152  226.674   7.4583 3.659851 9.581663 
1 1 1    5   11   53 o  266.715   4.2649 10884.40  347.196 11292.04  523.899 10565.16  463.626  271.242   6.3281  262.489   5.7868 8.753296 8.575091 
1 1 1    5   11   54 o   33.060   3.8203  169.408   37.840  184.098   77.411  164.796   43.375   33.911   7.6598   32.504   4.4921 1.407368 8.879851 
1 1 1    5   11   55 o  125.767   2.4298  2416.51   93.274  2609.41  149.142  2292.60  119.536  130.595   3.7416  122.452   3.1983 8.142326 4.922256 
1 1 1    5   11   56 o   40.179   3.2664  248.546   39.711  129.789   58.843  347.874   53.814   28.461   6.8553   47.529   3.7398 -19.06802 7.809034 
1 1 1    5   11   57 o   40.765   3.4557  256.133   42.592  255.375  119.909  256.243   45.563   39.681   9.9255   40.743   3.7043 -1.062401 10.59426 
1 1 1    5   11   58 o   76.239   3.4324  889.836   79.870  940.026  273.103  885.142   83.522   76.154   12.158   76.025   3.5993 0.1289749 12.67986 
1 1 1    5   11   59 o   66.012   4.7995  673.049   96.040  772.774  264.738  657.935  103.061   68.409   13.157   65.190   5.2235 3.219269 14.15570 
1 1 1    5   12    0 o  888.697   53.321 124014.80 14344.01 124014.80 14344.01 124014.80 14344.01  888.697   53.321  888.697   53.321 0.000000 0.000000 
1 1 1    5   12    1 f  532.563   21.470 43551.67  3489.90   0.0000   0.0000 43551.67  3489.90  ?   ?   532.563   21.470 0.000000 21.46965 
1 1 1    5   12    2 o  1189.71   50.187 223319.09 18224.46   0.0000   0.0000 223319.09 18224.46  ?   ?   1189.71   50.187 0.000000 50.18738 
1 1 1    5   12    3 o  738.604   16.806 83572.05  3788.77 83059.96  4521.48 84779.27  6942.33  735.731   20.135  740.642   30.710 -4.910950 36.72207 
1 1 1    5   12    4 o  149.736   6.9911  3423.96  319.516  4061.57  555.050  3107.96  390.752  162.611   11.252  142.342   9.0409 20.26967 14.43444 
1 1 1    5   12    5 o  425.325   10.259 27647.22  1331.75 26702.60  1588.21 29884.45  2444.17  417.854   12.453  441.528   18.137 -23.67368 22.00019 
1 1 1    5   12    6 o  271.656   9.9334 11277.47  823.631 12732.39  1429.97 10555.19  1007.54  287.857   16.343  262.706   12.565 25.15067 20.61503 
1 1 1    5   12    7 o  132.705   4.2498  2688.25  172.138  2682.35  202.047  2703.89  328.762  132.553   4.9940  132.796   8.1505 -0.2435150 9.558782 
1 1 1    5   12    8 o  107.874   3.3564  1776.17  110.512  1852.78  153.996  1694.83  158.683  110.168   4.5797  105.365   4.9342 4.802834 6.732029 
1 1 1    5   12    9 o  216.446   10.498  7160.77  693.530  6802.41  973.370  7530.27  988.402  210.229   15.274  221.310   14.716 -11.08115 21.20983 
1 1 1    5   12   10 o  409.349   10.245 25610.96  1280.04 25776.66  1408.08 24822.12  3072.24  410.609   11.235  400.704   25.249 9.905029 27.63575 
1 1 1    5   12   11 o  201.566   4.5095  6202.22  277.433  6342.93  392.896  6062.29  391.807  203.810   6.3159  199.248   6.4426 4.561966 9.022044 
1 1 1    5   12   12 o  775.820   18.643 92324.84  4414.68 93167.39  4860.15 88350.47 10555.67  778.952   20.442  747.804   46.477 31.14868 50.77362 
1 1 1    5   12   14 o  1092.06   67.813 195257.59 22491.79   0.0000   0.0000 195257.59 22491.79  ?   ?   1092.06   67.813 0.000000 67.81320 
1 1 1    5   12   15 o  365.976   9.2418 20467.47  1032.35 20619.37  1135.97 19746.95  2474.10  367.283   10.133  357.577   22.788 9.705994 24.93909 
1 1 1    5   12   16 o  773.684   18.970 91867.18  4479.59 94836.33 10728.26 91240.20  4929.93  774.560   45.580  770.561   20.961 3.999756 50.16888 
1 1 1    5   12   17 o  672.537   12.946 69212.66  2657.41 67237.52  3759.98 71183.95  3756.32  661.926   18.611  681.183   18.067 -19.25696 25.93768 
1 1 1    5   12   18 o  332.898   21.110 17103.70  2133.81   0.0000   0.0000 17103.70  2133.81  ?   ?   332.898   21.110 0.000000 21.10965 
1 1 1    5   12   19 o  374.841   9.8859 21478.70  1131.05 21229.06  1244.83 22660.05  2707.97  372.586   10.946  382.873   23.283 -10.28671 25.72778 
1 1 1    5   12   20 o  573.520   10.957 50305.66  1918.06 51949.39  2713.06 48663.18  2712.04  582.226   15.267  563.432   15.770 18.79456 21.94944 
1 1 1    5   12   21 o  966.404   28.601 144741.50  8436.31 137589.00 11933.97 151886.41 11927.53  934.107   41.857  982.992   39.754 -48.88452 57.72724 
1 1 1    5   12   22 o  163.510   2.8532  4080.83  142.395  4423.52  203.869  3754.40  198.975  170.225   3.9238  156.820   4.1570 13.40497 5.716399 
1 1 1    5   12   23 o  245.853   3.9916  9227.66  299.530  9737.21  392.596  8517.94  463.338  252.522   5.0937  236.143   6.4284 16.37892 8.201843 
1 1 1    5   12   24 o  265.325   5.6212 10751.78  455.223 10650.65  547.431 10978.46  819.583  264.027   6.7930  267.880   10.024 -3.853455 12.10882 
1 1 1    5   12   25 o  534.567   9.0664 43710.13  1479.29 46420.68  2183.78 41411.63  2010.96  550.230   13.003  519.757   12.676 30.47327 18.15943 
1 1 1    5   12   26 o  271.216   3.5284 11230.19  292.082 11840.47  464.637 10831.46  375.567  278.410   5.4678  266.320   4.6203 12.09076 7.158462 
1 1 1    5   12   27 o  710.472   12.541 77467.69  2719.60 85891.17  4045.72 70523.35  3673.37  746.002   17.768  675.962   17.804 70.03998 25.15345 
1 1 1    5   12   28 o  167.027   3.8645  4260.10  197.012  4593.75  279.622  3931.20  277.622  173.399   5.2833  160.394   5.6709 13.00505 7.750638 
1 1 1    5   12   29 o   97.885   2.4698  1462.65   73.790  1805.23  128.507  1294.13   90.130  108.725   3.8724   92.065   3.2074 16.65913 5.028246 
1 1 1    5   12   30 o  206.980   3.9955  6543.02  252.418  7463.83  360.758  5659.85  353.305  220.997   5.3482  192.411   6.0160 28.58664 8.049562 
1 1 1    5   12   31 o  334.929   7.1303 17164.46  728.919 16372.09  2096.84 17273.37  777.403  323.088   21.384  335.932   7.5819 -12.84439 22.68837 
1 1 1    5   12   32 o  135.585   3.0181  2806.90  124.900  2437.52  239.716  2944.54  146.332  126.248   6.2209  138.859   3.4526 -12.61140 7.114815 
1 1 1    5   12   33 f  156.958   3.1502  3761.83  150.919  4302.36  272.897  3523.68  181.139  167.767   5.3293  151.885   3.9073 15.88219 6.608263 
1 1 1    5   12   34 o  156.104   3.2753  3721.32  156.056  3219.56  415.835  3803.57  168.361  144.551   9.4775  157.813   3.4953 -13.26192 10.10148 
1 1 1    5   12   35 o  191.659   3.5023  5610.25  204.882  6126.07  336.142  5305.35  258.435  200.163   5.5020  186.329   4.5441 13.83369 7.135930 
1 1 1    5   12   36 o   98.804   2.7332  1490.55   82.426  1448.91  147.952  1509.29   99.256   97.229   5.0024   99.412   3.2711 -2.182915 5.977018 
1 1 1    5   12   37 o   18.429   6.8367   39.833   51.176   45.236   57.637   19.705  111.243   19.588   7.2577   23.139   9.5980 -3.551029 12.03314 
1 1 1    5   12   38 o  170.930   3.8246  4463.49  199.533  4864.88  274.863  4016.30  290.121  178.381   5.0484  162.027   5.8664 16.35374 7.739568 
1 1 1    5   12   39 o  249.016   5.7298  9486.01  435.497  9880.05  499.995  8247.44  886.452  254.054   6.4480  230.793   12.632 23.26135 14.18236 
1 1 1    5   12   40 o  225.891   3.7307  7795.32  257.224  8448.84  411.821  7377.28  329.375  235.002   5.7414  219.667   4.9126 15.33543 7.556284 
1 1 1    5   12   41 o  249.542   3.5543  9512.32  270.719  9028.57  376.486 10030.25  389.558  242.993   5.0762  256.127   4.9831 -13.13420 7.113301 
1 1 1    5   12   42 o  173.932   4.5966  4624.28  244.024  4136.72  685.521  4695.03  261.128  162.873   13.924  175.239   4.8821 -12.36665 14.75463 
1 1 1    5   12   43 o  190.496   3.9396  5544.72  229.061  4728.73  786.069  5620.44  239.453  173.917   14.954  191.783   4.0907 -17.86601 15.50303 
1 1 1    5   12   44 o   93.729   3.2769  1341.85   93.745  1435.08  342.730  1334.31   97.461   95.701   11.997   93.462   3.4165 2.239487 12.47389 
1 1 1    5   12   45 o  517.034   7.3052 40978.03  1152.83 42989.15  2845.31 40583.04  1260.97  523.886   17.794  514.299   8.0329 9.587402 19.52324 
1 1 1    5   12   46 o  299.311   4.1059 13692.24  375.101 14409.51  682.497 13381.81  448.993  306.565   7.2939  295.797   4.9731 10.76718 8.827985 
1 1 1    5   12   47 o  212.083   3.2660  6871.17  211.417  7027.06  305.045  6727.07  293.279  214.365   4.6622  209.747   4.5811 4.618362 6.536247 
1 1 1    5   12   48 o  224.048   3.3187  7669.12  226.946  8196.61  328.054  7184.96  314.289  231.504   4.6427  216.736   4.7510 14.76761 6.642753 
1 1 1    5   12   49 f  366.133   4.3471 20499.57  485.802 20683.58  643.027 20254.88  741.505  367.498   5.7327  363.440   6.6844 4.058044 8.805971 
1 1 1    5   12   50 o   77.785   4.2218  928.018   99.857  919.303  130.796  940.197  154.612   77.274   5.5831   78.024   6.5530 -0.7501297 8.608886 
1 1 1    5   12   51 o  164.589   3.8516  4142.03  193.489  4148.89  197.060  3957.94  1020.97  164.720   3.9195  154.961   22.222 9.758682 22.56514 
1 1 1    5   12   52 o   56.147   5.3635  487.411   90.798  497.575   95.234  385.879  300.998   56.706   5.5744   50.359   16.747 6.347427 17.65065 
1 1 1    5   12   53 o  129.342   2.4538  2555.51   96.872  2550.48  124.451  2563.25  154.312  129.174   3.1565  129.443   3.9058 -0.2687988 5.021787 
1 1 1    5   12   54 o  218.890   4.9258  7343.79  329.095  8071.15  651.904  7095.03  381.239  228.190   9.3599  214.969   5.8104 13.22121 11.01670 
1 1 1    5   12   55 o   62.159   4.3854  594.878   82.668  773.783  252.264  573.354   87.500   69.167   12.405   60.972   4.7389 8.194805 13.27931 
1 1 1    5   12   56 o  153.645   3.5371  3613.19  165.877  3377.64  575.010  3634.57  173.242  145.367   13.100  154.080   3.6838 -8.713379 13.60849 
1 1 1    5   12   57 o  110.015   4.3585  1856.36  146.355  2186.53  506.333  1826.26  152.880  115.701   14.667  109.090   4.5915 6.611191 15.36900 
1 1 1    5   12   58 o   67.102   15.931  764.754  321.408  1075.79  714.603  685.877  359.861   76.530   25.807   63.127   17.870 13.40362 31.39030 
1 1 1    5   13    0 o  264.065   17.609 10805.30  1404.76 10805.30  1404.76 10805.30  1404.76  264.065   17.609  264.065   17.609 -0.000000 0.000000 
1 1 1    5   13    1 o  370.477   16.354 21027.10  1849.28 22496.13  2610.98 19548.34  2619.60  381.898   22.499  355.586   24.282 26.31195 33.10284 
1 1 1    5   13    2 o  446.063   18.298 30512.15  2491.18 27028.90  3518.11 34015.09  3528.04  417.638   27.757  469.411   24.711 -51.77289 37.16308 
1 1 1    5   13    3 o  689.960   16.572 72938.61  3489.86 73786.39  3841.89 68938.07  8345.68  693.685   18.145  662.708   41.468 30.97760 45.26423 
1 1 1    5   13    4 o  781.080   32.521 94537.23  7753.04 92930.35 10963.94 96144.41 10964.98  766.787   47.074  780.447   46.237 -13.66034 65.98328 
1 1 1    5   13    5 f  493.353   12.540 37230.48  1888.28 36581.59  2078.04 40304.46  4522.95  488.904   13.926  509.939   29.181 -21.03571 32.33306 
1 1 1    5   13    6 o  729.031   30.436 82216.02  6772.43 79796.02  9578.19 84635.49  9577.12  711.634   44.317  733.657   42.956 -22.02283 61.71876 
1 1 1    5   13    7 o  617.487   14.051 58359.50  2648.16 58207.12  3159.76 58719.13  4854.23  616.294   16.798  617.262   25.765 -0.9678345 30.75724 
1 1 1    5   13    8 o  227.659   6.1742  7914.16  429.026  8039.94  471.439  7307.97  1034.98  229.449   6.7317  217.872   15.668 11.57683 17.05320 
1 1 1    5   13    9 o   39.585   14.052  206.063  213.019  206.063  213.019   0.0000   0.0000   39.585   14.052  ?   ?  0.000000 14.05200 
1 1 1    5   13   10 o  710.408   42.862 79444.55  9250.29 79444.55  9250.29   0.0000   0.0000  710.408   42.862  ?   ?  0.000000 42.86167 
1 1 1    5   13   11 o  550.451   14.978 46401.27  2516.50 46401.27  2516.50   0.0000   0.0000  550.451   14.978  ?   ?  0.000000 14.97824 
1 1 1    5   13   12 o  491.566   13.463 36981.45  2019.89 36981.45  2019.89   0.0000   0.0000  491.566   13.463  ?   ?  0.000000 13.46262 
1 1 1    5   13   13 o   52.552   4.9423  425.364   78.343  398.754   83.127  636.815  234.326   50.814   5.4445   63.414   12.551 -12.60023 13.68082 
1 1 1    5   13   14 o  842.291   22.661 109172.90  5825.86 109172.90  5825.86   0.0000   0.0000  842.291   22.661  ?   ?  0.000000 22.66110 
1 1 1    5   13   17 o  802.879   19.703 99054.00  4828.32 98920.81  5316.26 99681.27 11537.25  801.747   21.725  790.875   48.022 10.87225 52.70720 
1 1 1    5   13   18 o  452.582   10.646 31325.39  1470.66 35441.39  3853.81 30623.82  1591.06  478.082   26.514  447.392   11.651 30.68997 28.96119 
1 1 1    5   13   19 o  140.225   3.0993  3001.37  132.648  2701.06  170.555  3461.12  211.029  133.014   4.2010  150.565   4.5920 -17.55106 6.223690 
1 1 1    5   13   20 o  170.373   4.8009  4431.98  249.656  4384.50  288.738  4572.63  496.944  169.443   5.5829  172.677   9.4649 -3.233246 10.98876 
1 1 1    5   13   21 o  156.386   4.7329  3734.26  225.913  4581.11  501.710  3518.89  253.015  172.815   9.5486  151.796   5.4609 21.01892 10.99992 
1 1 1    5   13   22 o  129.973   4.6035  2579.46  182.624  2648.74  209.560  2360.74  372.351  131.697   5.2133  123.825   9.9358 7.872993 11.22043 
1 1 1    5   13   23 o  606.264   11.051 56285.62  2044.93 54157.23  2764.02 58859.39  3039.49  593.773   15.251  618.786   16.093 -25.01270 22.17186 
1 1 1    5   13   24 o  182.242   5.1110  5072.73  284.296  4859.20  327.133  5731.67  574.668  178.337   6.0099  193.259   9.7740 -14.92273 11.47389 
1 1 1    5   13   25 o  137.335   4.1563  2880.16  174.223  2862.85  198.568  2938.04  363.147  136.909   4.7518  138.299   8.6464 -1.389816 9.866068 
1 1 1    5   13   26 o  248.609   5.9201  9445.45  449.227  9712.13  899.684  9356.88  518.487  251.586   11.716  247.381   6.8668 4.204514 13.58021 
1 1 1    5   13   27 o  256.743   5.9306 10075.17  464.747 10198.34  538.679  9716.55  919.155  258.242   6.8342  251.537   11.972 6.705109 13.78539 
1 1 1    5   13   28 f  430.212   9.2475 28360.99  1214.30 28592.96  1551.17 27993.82  1951.51  431.423   11.780  426.007   15.009 5.416290 19.07931 
1 1 1    5   13   29 o  202.387   4.0385  6256.25  249.470  6321.05  671.766  6245.89  268.684  202.616   10.903  202.206   4.3534 0.4098053 11.73960 
1 1 1    5   13   30 o  351.024   7.9300 18867.94  849.620 19601.24  2414.00 18764.26  907.697  352.951   22.526  349.971   8.4975 2.979736 24.07520 
1 1 1    5   13   31 o   71.666   3.6497  786.443   79.571  804.988  143.952  778.284   95.484   72.240   6.6016   71.237   4.4132 1.002487 7.940893 
1 1 1    5   13   32 o  244.159   5.4320  9113.58  404.808  9404.76  859.862  9030.67  458.836  247.298   11.392  242.983   6.1868 4.315033 12.96336 
1 1 1    5   13   33 o  101.353   3.0062  1568.55   92.997  1556.58  137.412  1578.67  126.322  100.931   4.4605  101.655   4.0713 -0.7240982 6.039146 
1 1 1    5   13   34 o   50.244   3.7251  387.723   56.720  482.677   89.153  323.156   73.517   55.940   5.2841   45.660   5.3783 10.28056 7.539730 
1 1 1    5   13   35 o  298.028   4.6409 13574.81  422.156 12531.45  526.447 15454.34  706.581  286.203   6.0265  317.653   7.2877 -31.45004 9.456695 
1 1 1    5   13   36 o  291.903   4.8939 13025.52  436.023 12081.85  707.418 13603.64  553.704  280.695   8.2570  298.174   6.0840 -17.47876 10.25640 
1 1 1    5   13   37 o  130.801   3.1909  2612.93  127.392  2520.92  346.447  2627.31  136.989  127.848   8.9344  131.153   3.4221 -3.305038 9.567342 
1 1 1    5   13   38 o  170.885   2.8536  4459.19  148.840  4564.49  205.455  4342.88  215.919  172.846   3.8944  168.582   4.1963 4.263535 5.724940 
1 1 1    5   13   39 o  168.999   2.8462  4361.34  146.812  4603.24  209.492  4127.88  205.803  173.573   3.9543  164.359   4.1024 9.213745 5.697915 
1 1 1    5   13   40 o  284.804   3.7776 12392.30  328.386 12157.31  522.346 12545.88  422.270  281.848   6.0719  286.465   4.8295 -4.616302 7.758363 
1 1 1    5   13   41 o  125.164   2.6429  2392.11  100.968  2663.16  174.996  2256.85  123.619  132.005   4.3433  121.555   3.3319 10.45002 5.474144 
1 1 1    5   13   42 o  315.609   5.6494 15239.52  544.212 13524.71  1848.28 15402.30  569.457  292.077   20.870  317.257   5.8807 -25.17990 21.68272 
1 1 1    5   13   43 o  233.241   4.5844  8316.37  326.364  7171.21  1093.58  8428.34  341.947  213.693   16.904  234.789   4.7716 -21.09549 17.56500 
1 1 1    5   13   44 o  150.405   3.7120  3456.32  170.405   0.0000   0.0000  3456.32  170.405  ?   ?   150.405   3.7120 0.000000 3.711966 
1 1 1    5   13   45 o  170.536   3.2163  4442.40  167.411  4782.42  225.043  4021.06  250.509  176.887   4.1682  162.138   5.0620 14.74950 6.557286 
1 1 1    5   13   46 o  126.433   4.5571  2444.28  175.860  2395.86  218.101  2534.28  297.323  125.104   5.7118  128.291   7.6274 -3.186745 9.528976 
1 1 1    5   13   47 o  181.508   3.3219  5033.38  184.037  5073.70  200.923  4823.32  458.622  182.215   3.6127  177.139   8.4825 5.076111 9.219772 
1 1 1    5   13   48 o  188.040   4.3894  5407.48  251.924  5245.64  303.439  5766.49  451.946  185.109   5.3706  193.773   7.6414 -8.663834 9.339992 
1 1 1    5   13   49 o  146.387   2.8372  3273.42  126.766  3330.86  148.393  3118.33  243.849  147.641   3.2930  142.682   5.5993 4.959488 6.495844 
1 1 1    5   13   50 o  267.324   4.1811 10930.47  341.154 10908.88  513.718 10947.50  456.299  266.679   6.3113  267.296   5.5929 -0.6177979 8.432885 
1 1 1    5   13   51 o   30.897   3.7407  148.102   34.557  195.321   48.685  100.149   49.061   35.426   4.6118   25.068   6.3923 10.35850 7.882300 
1 1 1    5   13   52 o  244.870   3.7321  9170.92  278.940  9634.26  352.814  8398.45  455.552  250.835   4.6083  233.836   6.3828 16.99870 7.872498 
1 1 1    5   13   53 o  217.107   3.5082  7209.22  232.472  7634.19  390.263  6975.49  289.424  223.007   5.7335  213.418   4.4431 9.589401 7.253582 
1 1 1    5   13   54 o   83.628   3.6613  1070.23   93.457  945.549  270.340  1087.16   99.597   76.786   11.921   84.274   3.8720 -7.487617 12.53447 
1 1 1    5   13   55 o  129.760   2.7206  2574.04  107.750   0.0000   0.0000  2574.04  107.750  ?   ?   129.760   2.7206 0.000000 2.720560 
1 1 1    5   13   56 o  153.936   3.1239  3625.59  146.775  3827.42  257.940  3528.95  178.490  157.773   5.3563  151.770   3.8531 6.003250 6.598235 
1 1 1    5   13   57 o  173.714   14.118  4899.16  742.098  5375.71  1014.27  4350.15  1088.65  177.878   18.974  155.682   23.655 22.19516 30.32444 
1 1 1    5   13   58 o   81.489   4.0192  1018.69   99.966  1284.58  191.579  919.203  117.185   90.786   6.9669   77.141   5.0040 13.64486 8.577761 
1 1 1    5   14    0 o  642.805   38.711 64426.97  7531.92 64426.97  7531.92 64426.97  7531.92  642.805   38.711  642.805   38.711 0.000000 0.000000 
1 1 1    5   14    1 o  772.325   30.931 92379.98  7291.43 67546.49 10309.84 117230.80 10313.45  649.748   52.433  866.299   39.005 -216.5512 65.34981 
1 1 1    5   14    2 o  884.212   36.970 121848.20  9977.45 120380.60 14111.19 123315.40 14109.31  867.610   53.549  878.671   52.855 -11.06110 75.24063 
1 1 1    5   14    3 o  468.111   19.834 33646.26  2833.84 32396.49  4007.39 34896.34  4007.91  456.904   28.884  474.556   27.792 -17.65149 40.08326 
1 1 1    5   14    4 o  475.563   11.473 34585.59  1665.36 32952.29  1985.59 38460.14  3058.20  463.962   14.021  500.444   20.021 -36.48129 24.44286 
1 1 1    5   14    5 o  448.151   19.031 30824.85  2603.17 30094.84  3679.75 31556.20  3683.12  440.633   27.498  451.401   26.854 -10.76782 38.43490 
1 1 1    5   14    6 o  353.606   15.456 19154.21  1668.20 19240.58  2356.87 19067.50  2361.51  353.057   21.980  351.432   22.129 1.625183 31.18990 
1 1 1    5   14    7 o  357.455   9.6200 19528.59  1049.58 18837.09  1154.53 22821.78  2519.51  351.004   10.776  384.695   21.544 -33.69147 24.08916 
1 1 1    5   14    8 o   98.485   11.943  1505.28  351.654  1505.28  351.654   0.0000   0.0000   98.485   11.943  ?   ?  0.000000 11.94269 
1 1 1    5   14    9 o  506.086   30.709 39825.28  4721.17 39825.28  4721.17   0.0000   0.0000  506.086   30.709  ?   ?  0.000000 30.70910 
1 1 1    5   14   10 o  479.116   13.147 35132.13  1922.52 35132.13  1922.52   0.0000   0.0000  479.116   13.147  ?   ?  0.000000 13.14657 
1 1 1    5   14   11 o  1143.66   27.470 202138.70  9589.15 203605.20 10558.27 195232.09 22912.68  1146.32   30.176  1086.22   69.474 60.10767 75.74484 
1 1 1    5   14   12 o  474.802   10.755 34472.45  1558.64 36030.39  1715.34 27095.09  3732.72  485.336   11.580  417.259   29.499 68.07629 31.69051 
1 1 1    5   14   13 o  513.010   31.140 40992.57  4852.88   0.0000   0.0000 40992.57  4852.88  ?   ?   513.010   31.140 0.000000 31.13980 
1 1 1    5   14   14 o  882.288   54.177 125532.70 14519.03   0.0000   0.0000 125532.70 14519.03  ?   ?   882.288   54.177 0.000000 54.17716 
1 1 1    5   14   15 o  338.908   14.653 17600.01  1515.77   0.0000   0.0000 17600.01  1515.77  ?   ?   338.908   14.653 0.000000 14.65326 
1 1 1    5   14   16 o  469.293   11.923 33705.23  1707.83 33320.30  1879.10 35532.84  4094.46  466.458   13.198  477.985   28.190 -11.52667 31.12655 
1 1 1    5   14   17 o  355.050   22.327 19513.32  2407.26   0.0000   0.0000 19513.32  2407.26  ?   ?   355.050   22.327 0.000000 22.32725 
1 1 1    5   14   18 o  436.768   8.9106 29164.86  1187.89 26098.13  1682.76 32210.98  1677.10  412.710   13.359  458.682   11.979 -45.97195 17.94311 
1 1 1    5   14   19 o  325.193   14.507 16221.16  1439.93 16498.18  2066.90 15959.92  2007.15  326.434   20.854  321.100   20.588 5.333252 29.30427 
1 1 1    5   14   20 o  362.826   6.4564 20112.62  715.000 21060.64  1014.06 19175.36  1008.29  371.088   8.9530  354.057   9.3303 17.03125 12.93100 
1 1 1    5   14   21 o  248.810   5.1306  9454.99  389.630  9173.71  428.650 10792.38  934.678  245.057   5.7308  265.406   11.538 -20.34834 12.88294 
1 1 1    5   14   22 o  211.695   5.0857  6845.09  328.609  8285.51  730.114  6479.17  367.987  232.601   10.284  205.931   5.8546 26.67001 11.83370 
1 1 1    5   14   23 o  297.781   11.075 13593.29  1006.58 13126.57  1744.24 13826.33  1232.52  290.562   19.785  300.003   13.460 -9.441040 23.92982 
1 1 1    5   14   24 o  159.472   5.3602  3885.64  260.907  3771.65  282.090  4560.31  686.257  157.097   5.8830  171.765   13.191 -14.66772 14.44307 
1 1 1    5   14   25 o  231.980   6.5507  8228.39  463.824  8194.10  507.217  8403.46  1146.10  231.452   7.1798  232.756   16.234 -1.303848 17.75108 
1 1 1    5   14   26 o  135.673   2.8811  2810.26  119.310  3096.75  213.868  2680.82  143.758  142.366   4.9218  132.498   3.5547 9.868530 6.071252 
1 1 1    5   14   27 o  170.828   4.6208  4458.39  240.930  4367.02  542.329  4480.86  268.925  168.349   10.609  171.235   5.1454 -2.886551 11.79067 
1 1 1    5   14   28 o  123.229   3.2332  2318.76  121.607  2475.50  570.018  2311.28  124.473  125.713   15.162  123.028   3.3148 2.684967 15.51973 
1 1 1    5   14   29 o  144.686   3.0110  3196.43  132.972  3710.48  253.145  3000.54  156.266  155.803   5.3232  140.166   3.6526 15.63664 6.455895 
1 1 1    5   14   30 o  333.182   5.2961 16969.38  538.590 16941.76  2116.42 16971.30  556.925  328.225   21.240  333.182   5.4764 -4.956512 21.93427 
1 1 1    5   14   31 o  235.715   4.4777  8489.77  322.149  8582.48  474.873  8410.73  438.476  236.830   6.5694  234.489   6.1264 2.341187 8.982735 
1 1 1    5   14   32 o  198.289   4.9368  6009.85  298.788  6136.32  343.735  5618.87  604.356  200.318   5.6219  190.939   10.409 9.379044 11.83050 
1 1 1    5   14   33 o  138.197   3.4031  2916.88  143.545  2682.28  203.349  3149.89  202.659  132.462   5.0296  143.563   4.6249 -11.10150 6.832787 
1 1 1    5   14   34 o  207.735   3.9822  6593.04  252.491  6567.37  263.909  6870.62  867.770  207.319   4.1706  210.410   13.585 -3.091202 14.21039 
1 1 1    5   14   35 o  261.583   5.9747 10469.37  477.022 10522.10  552.649 10315.29  944.711  262.127   6.9075  258.653   11.966 3.474304 13.81698 
1 1 1    5   14   36 o  166.288   3.3763  4223.53  171.364  3990.81  279.161  4364.24  217.075  161.518   5.6626  168.996   4.2084 -7.477448 7.055174 
1 1 1    5   14   37 o  159.630   4.0009  3893.52  194.934  3752.25  274.960  4036.28  276.401  156.607   5.7523  162.438   5.5749 -5.831436 8.010513 
1 1 1    5   14   38 o  315.885   5.9200 15268.99  570.779 14647.26  811.511 15877.69  802.965  308.927   8.6064  321.729   8.1769 -12.80222 11.87147 
1 1 1    5   14   39 o  182.062   2.9795  5062.01  165.568  5031.08  238.199  5090.92  230.298  181.438   4.3013  182.523   4.1339 -1.085663 5.965708 
1 1 1    5   14   40 o   79.258   2.8602  959.298   69.193  785.539  123.203  1039.35   83.627   71.428   5.6985   82.490   3.3214 -11.06155 6.595844 
1 1 1    5   14   41 o  104.961   3.6914  1683.10  118.258  1871.95  387.874  1663.75  124.170  109.536   11.787  104.349   3.8986 5.187653 12.41508 
1 1 1    5   14   42 o  119.020   3.3842  2163.89  122.941   0.0000   0.0000  2163.89  122.941  ?   ?   119.020   3.3842 0.000000 3.384243 
1 1 1    5   14   43 o  253.418   4.2277  9815.85  327.006 11530.27  1369.24  9712.16  336.750  271.193   16.622  252.062   4.3771 19.13142 17.18866 
1 1 1    5   14   44 o  170.770   3.2591  4454.77  169.875  4906.82  294.889  4230.25  207.822  179.075   5.3952  166.365   4.0927 12.71078 6.771890 
1 1 1    5   14   45 o  283.510   5.9627 12308.39  515.977 12977.33  955.356 12032.91  613.085  289.993   10.793  280.107   7.1710 9.885803 12.95849 
1 1 1    5   14   46 o   58.214   3.5909  519.821   63.492  572.248   87.838  462.458   91.880   60.980   4.7569   54.679   5.5837 6.301350 7.335242 
1 1 1    5   14   47 f  252.710   3.9712  9763.06  306.312  9907.31  491.507  9671.46  391.677  254.230   6.3341  251.380   5.1048 2.850235 8.135121 
1 1 1    5   14   48 o  204.055   3.6407  6364.58  226.752  6436.89  280.690  6228.74  384.716  205.128   4.4832  201.556   6.2536 3.571777 7.694540 
1 1 1    5   14   49 o   80.136   3.0972  981.257   75.756  1056.71  155.225  957.667   86.794   82.777   6.1885   79.150   3.5927 3.627731 7.155804 
1 1 1    5   14   50 o   49.914   4.2201  383.898   63.691  332.647  121.514  403.312   74.787   45.643   9.0422   51.093   4.8539 -5.450386 10.26262 
1 1 1    5   14   51 o  100.136   3.4049  1533.11  104.066  1650.72  170.749  1463.60  131.262  103.620   5.4176   97.779   4.3982 5.840408 6.978191 
1 1 1    5   14   52 o  167.514   2.7879  4288.44  142.541  4740.73  216.513  3942.44  189.370  175.993   4.0306  160.511   3.8654 15.48154 5.584517 
1 1 1    5   14   53 o   39.944   4.1189  246.917   49.498  380.931  203.832  238.520   51.025   48.325   13.368   39.222   4.3347 9.103271 14.05352 
1 1 1    5   14   54 o   17.697   6.1118   43.597   40.121  109.248  185.544   40.377   41.094   32.768   12.806   17.409   6.1727 15.35896 14.21618 
1 1 1    5   14   55 o  118.203   2.8028  2136.69  101.121  2615.41  230.177  2022.20  112.566  130.339   5.7859  114.956   3.2082 15.38281 6.615808 
1 1 1    5   14   56 o   19.928   7.7279   39.643   67.165  246.074  145.912 -15.8574   75.657   39.023   11.482   17.248   7.5483 21.77521 13.74104 
1 1 1    5   14   57 o   99.129   2.9816  1503.95   90.214  1632.19  115.718  1305.23  144.048  103.193   3.6740   91.947   5.1535 11.24554 6.329031 
1 1 1    5   15    0 o  555.126   33.637 47960.36  5651.38 47960.36  5651.38 47960.36  5651.38  555.126   33.637  555.126   33.637 -0.000000 0.000000 
1 1 1    5   15    1 o  562.006   23.642 48656.36  4055.45 47952.31  5736.22 49359.94  5734.32  554.166   34.078  562.459   33.555 -8.293335 47.82542 
1 1 1    5   15    2 f  380.925   16.500 22246.38  1918.46 22317.25  2717.48 22175.97  2708.77  379.923   23.550  378.715   23.550 1.207886 33.30536 
1 1 1    5   15    3 o  600.417   16.067 55257.54  2944.47 52421.02  3241.28 68652.30  7043.52  584.449   18.170  663.018   34.929 -78.56891 39.37209 
1 1 1    5   15    4 o  555.895   23.363 47599.43  3964.12 46576.45  5606.01 48622.48  5606.22  546.160   33.795  558.344   33.044 -12.18390 47.26527 
1 1 1    5   15    5 o  129.608   4.7801  2564.63  189.099  2396.80  203.157  3652.93  517.341  125.290   5.3125  154.156   11.069 -28.86533 12.27769 
1 1 1    5   15    6 o  136.473   8.5185  2856.99  353.060  2347.61  482.062  3446.36  518.534  123.165   13.021  149.670   11.437 -26.50539 17.33066 
1 1 1    5   15    7 f  271.828   7.3531 11287.27  610.073  823.304  837.095 23141.50  890.971   78.412   27.854  389.212   7.5000 -310.8001 28.84568 
1 1 1    5   15    8 o  597.021   16.197 54652.17  2951.41 54652.17  2951.41   0.0000   0.0000  597.021   16.197  ?   ?  0.000000 16.19657 
1 1 1    5   15    9 o  570.301   14.308 49822.09  2490.55 49352.06  2741.42 52043.35  5959.59  567.367   15.831  576.952   33.992 -9.584473 37.49791 
1 1 1    5   15   10 f  404.431   9.9564 25008.26  1229.04 25368.23  1352.30 23299.29  2946.50  407.258   10.879  387.677   25.035 19.58063 27.29644 
1 1 1    5   15   11 o  345.691   21.708 18474.15  2278.82   0.0000   0.0000 18474.15  2278.82  ?   ?   345.691   21.708 0.000000 21.70778 
1 1 1    5   15   12 o  398.171   17.365 24341.09  2110.38   0.0000   0.0000 24341.09  2110.38  ?   ?   398.171   17.365 0.000000 17.36496 
1 1 1    5   15   13 o  142.102   5.2252  3083.44  226.631   0.0000   0.0000  3083.44  226.631  ?   ?   142.102   5.2252 0.000000 5.225177 
1 1 1    5   15   14 o  612.858   13.827 57560.03  2586.50 58605.88  6710.07 57377.51  2803.12  610.021   36.200  611.657   15.015 -1.635803 39.19062 
1 1 1    5   15   15 o   91.546   4.1364  1279.51  115.581  1134.77  359.293  1296.22  122.069   84.869   14.384   92.140   4.3405 -7.271492 15.02454 
1 1 1    5   15   16 o  395.269   9.3437 23895.55  1127.27 24677.00  2933.89 23760.20  1220.99  398.505   24.236  394.071   10.151 4.434479 26.27607 
1 1 1    5   15   17 o  456.883   15.708 32069.57  2190.46 34190.29  3796.70 31011.48  2681.80  468.108   26.684  448.455   19.593 19.65298 33.10419 
1 1 1    5   15   18 o   82.331   13.553  1067.07  328.720   0.0000   0.0000  1067.07  328.720  ?   ?    82.331   13.553 0.000000 13.55282 
1 1 1    5   15   19 o  205.784   4.7324  6467.35  297.244  6310.23  427.938  6613.82  413.183  203.186   6.9003  208.034   6.5072 -4.848099 9.484599 
1 1 1    5   15   20 o   35.476   13.478  135.464  201.469   0.0000   0.0000  135.464  201.469  ?   ?    35.476   13.478 0.000000 13.47849 
1 1 1    5   15   21 o  261.816   7.3364 10483.09  586.265   0.0000   0.0000 10483.09  586.265  ?   ?   261.816   7.3364 0.000000 7.336361 
1 1 1    5   15   22 o  363.426   9.6357 20236.21  1068.85 19905.03  1175.90 21810.75  2563.97  360.276   10.693  373.374   22.605 -13.09732 25.00665 
1 1 1    5   15   23 o  301.088   7.3403 13869.06  674.565 13948.61  802.132 13676.90  1246.68  301.798   8.7079  298.082   13.703 3.716736 16.23538 
1 1 1    5   15   24 f   63.566   6.0017  623.218  115.065  632.282  121.775  547.706  351.491   63.994   6.3169   59.220   17.916 4.774567 18.99741 
1 1 1    5   15   25 o   41.257   11.115  270.243  143.115  361.496  238.516  218.907  178.897   48.342   14.788   38.782   12.912 9.559536 19.63143 
1 1 1    5   15   26 o  230.171   4.0100  8092.25  281.714  9003.76  463.643  7558.78  354.698  242.636   6.2605  222.387   5.2255 20.24905 8.154789 
1 1 1    5   15   27 o  230.174   4.8759  8096.29  342.555  7996.79  536.483  8164.77  445.104  228.526   7.6914  231.040   6.3119 -2.514145 9.949707 
1 1 1    5   15   28 o   89.590   2.8559  1225.51   78.094  1041.08  143.410  1303.26   93.110   82.314   5.7440   92.381   3.3022 -10.06646 6.625576 
1 1 1    5   15   29 o  295.240   5.6048 13328.50  505.069 13773.30  714.659 12884.67  713.892  299.853   7.8086  289.982   8.0657 9.870758 11.22633 
1 1 1    5   15   30 o  399.556   7.6599 24455.76  934.149 25612.01  1389.29 23501.62  1262.03  408.033   11.155  391.018   10.574 17.01422 15.37072 
1 1 1    5   15   31 f  194.490   4.1605  5779.44  246.977  5777.22  349.986  5781.65  348.577  194.339   5.9003  194.415   5.8742 -0.7643127E-01 8.325854 
1 1 1    5   15   32 o  160.532   5.5940  3941.46  274.096  4047.50  403.398  3850.52  373.579  162.275   8.1707  158.514   7.7214 3.761261 11.24192 
1 1 1    5   15   33 o  102.825   2.9415  1614.56   92.316  1886.04  135.540  1379.65  126.082  111.105   3.9969   95.016   4.3475 16.08917 5.905573 
1 1 1    5   15   34 o  147.628   3.5643  3329.15  160.605  3135.17  229.927  3513.97  224.432  143.183   5.2612  151.610   4.8500 -8.426682 7.155581 
1 1 1    5   15   35 o  207.685   5.1716  6595.91  327.826  6649.60  351.734  6240.82  904.633  208.498   5.5271  200.014   14.926 8.484772 15.91622 
1 1 1    5   15   36 o  110.736   3.4385  1873.09  116.219  1935.57  166.087  1813.15  162.684  112.518   4.8361  108.899   4.8944 3.618767 6.880665 
1 1 1    5   15   37 o  262.180   7.9046 10541.25  632.551 10384.43  827.553 10761.63  981.026  259.756   10.438  264.032   12.173 -4.276276 16.03551 
1 1 1    5   15   38 o  207.219   4.0812  6561.64  258.129  6662.45  370.598  6466.65  359.742  208.664   5.8189  205.583   5.7331 3.081070 8.168666 
1 1 1    5   15   39 o  185.678   5.0042  5271.96  283.605  5222.88  326.713  5422.03  571.248  184.749   5.7938  187.481   10.019 -2.732147 11.57364 
1 1 1    5   15   40 o  241.474   5.9445  8924.34  438.130   0.0000   0.0000  8924.34  438.130  ?   ?   241.474   5.9445 0.000000 5.944512 
1 1 1    5   15   41 o   94.397   3.3586  1361.18   96.768   0.0000   0.0000  1361.18   96.768  ?   ?    94.397   3.3586 0.000000 3.358588 
1 1 1    5   15   42 o  157.104   3.2156  3770.14  154.195  3624.86  277.602  3834.96  185.431  153.881   5.9105  158.418   3.8350 -4.537659 7.045594 
1 1 1    5   15   43 o   88.501   3.4917  1196.68   94.319  1209.39  104.931  1143.18  215.232   88.959   3.8645   85.880   8.3151 3.078751 9.169305 
1 1 1    5   15   44 o  146.777   4.1511  3293.36  185.967  3530.53  227.837  2819.96  321.893  151.919   4.9136  135.304   7.8279 16.61475 9.242233 
1 1 1    5   15   45 o  113.137   3.4575  1955.86  119.392  1982.69  127.931  1774.77  332.382  113.900   3.6799  106.760   10.329 7.140076 10.96528 
1 1 1    5   15   46 o  136.509   3.0933  2846.96  128.886  2858.72  167.114  2829.70  202.478  136.741   4.0040  135.986   4.8783 0.7554169 6.311103 
1 1 1    5   15   47 o  317.603   4.7044 15435.94  456.042 15934.90  727.482 15112.92  585.332  322.054   7.4008  313.971   6.1079 8.082581 9.595735 
1 1 1    5   15   48 o   47.344   4.4750  346.020   63.898  396.206   96.387  306.671   85.349   50.416   6.4085   44.236   6.5164 6.179852 9.139610 
1 1 1    5   15   49 o  220.281   3.2935  7417.11  221.441  7817.99  315.118  7026.02  311.248  225.990   4.5684  214.209   4.7605 11.78014 6.597936 
1 1 1    5   15   50 o  126.194   2.7606  2433.35  106.329  2508.62  151.891  2361.01  148.898  128.052   3.8862  124.225   3.9270 3.827873 5.524893 
1 1 1    5   15   51 o   60.875   3.1409  568.074   58.161  790.174  139.282  521.166   64.009   71.397   6.4614   58.256   3.6177 13.14087 7.405278 
1 1 1    5   15   52 f  220.311   5.3495  7451.59  359.719  7338.05  1036.10  7467.16  383.578  213.114   16.046  220.452   5.7006 -7.337906 17.02875 
1 1 1    5   15   53 f  206.944   4.2099  6563.17  265.912  6082.73  909.250  6608.10  278.069  193.685   15.511  207.614   4.3881 -13.92874 16.11939 
1 1 1    5   15   54 f  147.606   2.8438  3332.21  128.122  3496.24  282.107  3289.58  143.808  150.605   6.1370  146.616   3.2136 3.989395 6.927469 
1 1 1    5   15   55 o  199.707   4.2529  6119.17  259.235  5741.85  406.858  6377.05  336.350  192.609   6.9207  203.536   5.4142 -10.92700 8.786893 
1 1 1    5   15   56 o  125.026   3.6090  2395.64  137.721  2546.92  394.344  2374.63  146.975  126.648   10.290  124.437   3.8697 2.211052 10.99393 
1 1 1    5   16    0 o  602.775   36.466 56716.86  6652.89 56716.86  6652.89 56716.86  6652.89  602.775   36.466  602.775   36.466 0.000000 0.000000 
1 1 1    5   16    1 o  748.206   31.322 87074.76  7153.03 78728.23 10115.82 95421.59 10116.01  701.500   47.525  775.828   42.886 -74.32776 64.01470 
1 1 1    5   16    2 o  750.987   30.479 87641.71  6986.31 100307.00  9883.17 74991.94  9877.12  796.865   40.771  684.500   47.571 112.3652 62.65227 
1 1 1    5   16    3 o  431.683   11.712 28516.41  1543.18 27202.40  1698.12 34747.10  3697.75  421.466   13.200  473.409   25.687 -51.94308 28.88035 
1 1 1    5   16    4 o  521.298   21.790 41866.44  3467.10 43891.89  4907.52 39848.06  4898.94  530.571   30.431  504.907   31.954 25.66403 44.12590 
1 1 1    5   16    5 o  337.725   21.479 17638.37  2202.57 17638.37  2202.57   0.0000   0.0000  337.725   21.479  ?   ?  0.000000 21.47887 
1 1 1    5   16    6 o  192.632   5.7881  5666.87  340.312  5505.77  371.247  6514.41  851.547  189.859   6.4064  205.765   13.636 -15.90559 15.06600 
1 1 1    5   16    7 o  699.814   29.284 76091.45  6255.10 78905.66  8846.92 73278.36  8845.18  705.417   41.269  678.681   42.921 26.73547 59.54264 
1 1 1    5   16    9 o  683.683   41.745 74352.05  8669.38   0.0000   0.0000 74352.05  8669.38  ?   ?   683.683   41.745 0.000000 41.74480 
1 1 1    5   16   10 o  203.988   14.713  6414.94  909.882   0.0000   0.0000  6414.94  909.882  ?   ?   203.988   14.713 0.000000 14.71255 
1 1 1    5   16   11 o  617.719   37.726 60451.94  7078.80   0.0000   0.0000 60451.94  7078.80  ?   ?   617.719   37.726 0.000000 37.72585 
1 1 1    5   16   12 o  698.067   16.723 74902.50  3563.19 75784.60  3922.69 70740.95  8520.24  701.665   18.316  664.601   42.221 37.06439 46.02320 
1 1 1    5   16   13 o  241.370   5.8921  8899.51  434.078  9375.04  513.497  7708.89  812.522  247.696   6.7921  224.001   11.927 23.69504 13.72548 
1 1 1    5   16   14 o  150.518   4.2504  3459.33  195.271  3819.00  227.041  2437.15  382.754  158.139   4.7038  125.786   10.053 32.35306 11.09939 
1 1 1    5   16   15 o  441.503   10.165 29844.63  1369.81 29896.81  1633.14 29720.82  2515.70  441.587   12.117  438.870   18.780 2.716766 22.35003 
1 1 1    5   16   16 o  452.055   9.8290 31288.96  1356.18 32880.38  1616.99 27514.33  2490.31  463.140   11.439  421.935   19.337 41.20447 22.46705 
1 1 1    5   16   17 o  307.685   7.3420 14476.35  689.501 14659.28  821.029 14038.61  1270.05  309.500   8.6912  302.246   13.767 7.253906 16.28098 
1 1 1    5   16   18 f  128.278   4.2690  2513.07  167.146  2547.14  194.782  2417.92  325.538  129.129   4.9421  125.400   8.5563 3.728355 9.881028 
1 1 1    5   16   19 o  550.136   13.360 46539.38  2243.41 47045.74  2469.34 44145.96  5368.62  552.703   14.638  524.344   33.724 28.35828 36.76367 
1 1 1    5   16   20 o  180.241   5.9749  4965.98  328.702   0.0000   0.0000  4965.98  328.702  ?   ?   180.241   5.9749 0.000000 5.974898 
1 1 1    5   16   21 o  261.901   7.5973 10497.46  607.318 10281.93  669.050 11506.37  1447.55  259.112   8.4597  272.013   17.529 -12.90131 19.46323 
1 1 1    5   16   22 o  125.177   9.7117  2417.16  368.149  2164.09  617.169  2556.94  458.693  116.850   17.873  128.445   11.833 -11.59457 21.43487 
1 1 1    5   16   23 o  168.104   3.7687  4315.92  193.368  4721.56  799.630  4290.72  199.283  174.177   15.193  167.608   3.8955 6.569427 15.68469 
1 1 1    5   16   24 o  222.218   3.9251  7542.60  266.227  7917.46  349.246  7022.62  411.329  227.611   5.0271  214.277   6.2892 13.33348 8.051489 
1 1 1    5   16   25 o  169.133   3.9433  4369.56  203.566  4638.62  311.741  4169.54  268.784  174.167   5.8642  165.155   5.3321 9.012268 7.925913 
1 1 1    5   16   26 o  155.371   4.9354  3689.48  234.049  3674.24  277.473  3727.07  435.741  155.002   5.8650  155.607   9.2156 -0.6046753 10.92357 
1 1 1    5   16   27 o  414.263   14.672 26544.78  1855.18 28270.95  3216.58 25684.36  2270.95  421.462   25.119  405.977   18.327 15.48505 31.09368 
1 1 1    5   16   28 o  109.918   3.8722  1845.65  129.909  1999.94  149.150  1360.71  264.425  114.408   4.2712   93.698   9.3717 20.71037 10.29917 
1 1 1    5   16   29 o  110.184   2.7041  1853.71   90.943  1838.46  165.398  1860.32  108.878  109.667   4.9413  110.369   3.2320 -0.7022247 5.904430 
1 1 1    5   16   30 o  218.623   5.3594  7308.92  357.626  7158.99  408.148  7804.54  742.085  216.297   6.1823  225.222   10.795 -8.924728 12.44006 
1 1 1    5   16   31 o  223.553   3.6818  7634.37  251.220  7918.42  314.448  7133.15  417.703  227.616   4.5262  215.881   6.3392 11.73491 7.789201 
1 1 1    5   16   32 f  159.247   4.5308  3876.09  220.223  3944.83  253.800  3666.62  443.033  160.615   5.1771  154.204   9.4586 6.411148 10.78272 
1 1 1    5   16   33 o  182.098   4.1781  5067.27  232.218  5057.91  242.984  5165.96  788.871  181.918   4.3761  182.032   14.314 -0.1145325 14.96789 
1 1 1    5   16   34 o  438.181   7.8988 29443.57  1056.41 29416.65  1162.38 29571.31  2532.41  437.757   8.6996  434.087   19.113 3.669220 21.00018 
1 1 1    5   16   35 f  371.294   5.7782 21093.98  654.826 22208.85  830.816 19265.57  1063.97  380.715   7.1497  353.957   9.8483 26.75793 12.16996 
1 1 1    5   16   36 o  193.308   4.0202  5710.03  237.200  5860.45  330.202  5549.65  340.961  195.726   5.5273  190.437   5.8659 5.289566 8.059785 
1 1 1    5   16   37 o  201.748   3.5560  6217.89  218.971  6390.46  360.810  6117.27  275.509  204.359   5.7845  200.047   4.5122 4.311417 7.336257 
1 1 1    5   16   38 o  219.280   11.157  7431.02  744.276   0.0000   0.0000  7431.02  744.276  ?   ?   219.280   11.157 0.000000 11.15718 
1 1 1    5   16   39 o   68.135   9.4137  726.938  190.541   0.0000   0.0000  726.938  190.541  ?   ?    68.135   9.4137 0.000000 9.413724 
1 1 1    5   16   40 o  152.277   3.0733  3541.69  142.840  3457.29  247.092  3584.04  175.053  150.324   5.3854  153.154   3.7448 -2.830368 6.559383 
1 1 1    5   16   41 o  166.072   3.6105  4214.01  183.013  4150.78  272.366  4266.06  247.111  164.699   5.4181  167.015   4.8475 -2.315857 7.270081 
1 1 1    5   16   42 o   72.822   4.4486  813.849   98.405  827.428  107.018  739.539  250.356   73.395   4.8037   68.073   12.510 5.322281 13.40096 
1 1 1    5   16   43 o  245.239   3.7443  9191.50  280.268  9244.43  351.533  9099.15  464.313  245.845   4.6848  243.694   6.2424 2.150360 7.804740 
1 1 1    5   16   44 o  279.775   5.0469 11978.68  430.975 11116.88  589.300 12969.61  631.909  269.143   7.1736  290.719   7.1214 -21.57544 10.10813 
1 1 1    5   16   45 o  199.796   3.0980  6098.89  188.926  5909.12  343.597  6181.12  226.187  196.396   5.7319  201.092   3.6852 -4.695801 6.814336 
1 1 1    5   16   46 o  330.027   7.3850 16737.15  743.901 18759.07  1292.83 15736.36  909.560  347.337   12.195  319.354   9.3313 27.98383 15.35530 
1 1 1    5   16   47 o  140.061   3.0826  2997.73  131.781  3102.49  168.596  2833.20  211.277  142.433   3.8781  136.009   5.0894 6.423798 6.398588 
1 1 1    5   16   48 o  214.867   4.4793  7067.30  293.764  7249.78  392.756  6835.59  442.583  217.376   5.9196  210.880   6.8761 6.496521 9.073200 
1 1 1    5   16   49 o  165.329   3.6763  4181.00  185.514  4267.76  201.988  3713.26  468.999  167.005   3.9626  154.373   10.008 12.63173 10.76353 
1 1 1    5   16   50 o   32.703   11.386  150.961  139.392  154.767  197.530  147.186  196.732   35.712   13.395   35.303   13.341 0.4092674 18.90591 
1 1 1    5   16   51 o  127.970   4.4634  2509.95  174.336  2758.61  484.317  2472.94  186.862  131.849   12.172  126.977   4.8215 4.872078 13.09223 
1 1 1    5   16   52 o  105.185   10.337  1747.61  327.580   0.0000   0.0000  1747.61  327.580  ?   ?   105.185   10.337 0.000000 10.33693 
1 1 1    5   16   53 o  183.240   3.6466  5142.79  203.951  5198.56  367.750  5118.02  245.097  183.488   6.5664  182.648   4.3965 0.8399048 7.902328 
1 1 1    5   16   54 o   77.944   3.5607  930.717   84.710  698.132  144.504  1052.49  104.560   66.744   7.2078   82.832   4.1358 -16.08779 8.310034 
1 1 1    5   16   55 o   81.635   3.4377  1021.04   85.657  918.463  262.825  1033.23   90.603   75.060   11.867   82.104   3.6154 -7.044418 12.40511 
1 1 1    5   17    0 o  548.860   33.410 47064.49  5549.43 47064.49  5549.43 47064.49  5549.43  548.860   33.410  548.860   33.410 -0.000000 0.000000 
1 1 1    5   17    1 o  638.088   26.827 63257.97  5224.84 64270.98  7390.44 62245.74  7387.64  636.380   38.226  625.834   38.867 10.54504 54.51467 
1 1 1    5   17    2 o  383.131   13.823 22509.79  1616.46 37023.86  2294.89  8217.87  2277.26  491.096   15.310  226.492   33.990 264.6033 37.27939 
1 1 1    5   17    3 o  209.676   10.891  6747.71  694.599  5676.54  992.107  7777.60  972.799  191.392   17.166  224.722   14.257 -33.33044 22.31381 
1 1 1    5   17    4 o  331.518   14.436 16863.56  1460.77  8084.60  2064.39 25667.05  2067.28  225.472   30.803  408.647   16.574 -183.1745 34.97916 
1 1 1    5   17    5 o  572.222   35.013 51773.91  6085.86   0.0000   0.0000 51773.91  6085.86  ?   ?   572.222   35.013 0.000000 35.01344 
1 1 1    5   17    6 o  630.791   25.301 61786.77  4871.25   0.0000   0.0000 61786.77  4871.25  ?   ?   630.791   25.301 0.000000 25.30100 
1 1 1    5   17    9 o  461.818   16.021 32804.07  2258.31 33025.71  3910.61 32693.18  2766.17  458.900   28.054  460.120   19.697 -1.220337 34.27836 
1 1 1    5   17   10 o  191.356   9.9187  5620.74  577.326  5441.60  817.463  5799.01  815.466  187.667   14.381  193.847   13.874 -6.179367 19.98249 
1 1 1    5   17   11 o  413.109   17.835 26324.57  2248.81 26060.02  3181.18 26588.82  3179.41  407.956   25.679  412.203   25.394 -4.246979 36.11497 
1 1 1    5   17   12 o  130.429   4.8389  2598.34  192.637  2007.39  221.005  4467.21  393.021  114.431   6.3526  170.917   7.5338 -56.48594 9.854654 
1 1 1    5   17   13 o  579.352   13.163 51559.48  2327.68 51771.98  2776.69 51057.12  4269.24  579.751   15.692  571.979   24.454 7.772461 29.05575 
1 1 1    5   17   14 o  105.872   4.5786  1712.05  147.956  1661.27  160.272  2004.91  384.879  104.281   5.0354  113.786   11.228 -9.505219 12.30576 
1 1 1    5   17   15 o  610.789   13.789 57394.56  2570.58 57548.55  3066.83 57030.84  4713.38  610.568   16.457  602.948   25.612 7.620300 30.44285 
1 1 1    5   17   16 o  532.333   11.869 43521.58  1928.48 44413.54  2300.18 41411.08  3538.20  537.086   14.031  515.060   22.506 22.02563 26.52207 
1 1 1    5   17   17 o  138.331   4.4812  2923.11  189.206  2917.60  220.274  2938.61  369.514  138.178   5.2229  138.232   8.8039 -0.5432129E-01 10.23650 
1 1 1    5   17   18 o  187.931   9.8947  5431.18  565.569  4996.85  798.792  5867.80  800.883  179.394   14.718  194.730   13.559 -15.33669 20.01192 
1 1 1    5   17   19 o  288.692   18.921 13009.73  1658.00   0.0000   0.0000 13009.73  1658.00  ?   ?   288.692   18.921 0.000000 18.92093 
1 1 1    5   17   20 o  294.151   19.220 13523.62  1716.12   0.0000   0.0000 13523.62  1716.12  ?   ?   294.151   19.220 0.000000 19.22010 
1 1 1    5   17   21 o  152.860   5.7931  3572.67  270.286  3572.67  270.286   0.0000   0.0000  152.860   5.7931  ?   ?  0.000000 5.793141 
1 1 1    5   17   22 o   62.298   6.8943  601.152  128.897  601.152  128.897   0.0000   0.0000   62.298   6.8943  ?   ?  0.000000 6.894320 
1 1 1    5   17   23 o  132.879   16.311  2776.76  647.661  2776.76  647.661   0.0000   0.0000  132.879   16.311  ?   ?  0.000000 16.31138 
1 1 1    5   17   24 o  356.296   9.2858 19478.01  1009.83 20418.01  2469.34 19289.23  1106.60  359.425   22.624  354.362   10.231 5.062988 24.83021 
1 1 1    5   17   25 o  232.884   5.7442  8294.55  408.305 11399.61  1244.82  7920.22  432.217  270.908   15.115  227.526   6.2238 43.38193 16.34606 
1 1 1    5   17   26 o  302.996   7.3016 14060.80  675.266 14862.95  1777.63 13925.53  729.986  307.826   19.013  301.439   7.9341 6.387512 20.60202 
1 1 1    5   17   27 o  205.041   4.5457  6425.27  284.484  6838.86  404.567  6020.73  400.113  211.401   6.2700  198.324   6.6098 13.07748 9.110564 
1 1 1    5   17   28 o  161.958   4.8145  4009.70  237.995  4183.87  260.716  3139.10  582.900  165.417   5.1638  141.853   13.631 23.56482 14.57609 
1 1 1    5   17   29 o  370.218   8.9799 21041.52  1014.72 23754.70  1886.76 19937.42  1203.60  390.945   15.812  359.855   10.958 31.09015 19.23793 
1 1 1    5   17   30 o  319.504   7.6001 15647.08  741.156 15823.99  883.011 15225.30  1363.45  321.021   9.0119  313.456   14.251 7.564972 16.86132 
1 1 1    5   17   31 o   74.703   3.1533  852.300   71.899  988.409  111.150  754.373   94.280   80.285   4.5546   70.115   4.4282 10.16959 6.352463 
1 1 1    5   17   32 o  194.622   5.0451  5792.13  299.696  5786.15  321.353  5832.04  830.409  194.493   5.4133  193.480   14.160 1.013123 15.15957 
1 1 1    5   17   33 o  182.650   4.6700  5100.05  260.346  4751.62  476.560  5248.28  310.829  175.677   8.9169  185.223   5.4981 -9.546173 10.47564 
1 1 1    5   17   34 f  354.637   7.8121 19287.06  845.605 19340.48  905.760 18924.52  2359.70  355.003   8.3592  344.563   22.562 10.43997 24.06062 
1 1 1    5   17   35 o  113.001   4.5088  1951.92  155.510  1911.53  178.416  2079.61  317.242  111.794   5.2287  116.009   9.0306 -4.214928 10.43510 
1 1 1    5   17   36 o  277.980   4.7289 11814.34  401.225 12311.39  696.339 11567.31  490.907  283.276   8.0537  274.925   5.8502 8.350494 9.954196 
1 1 1    5   17   37 o  226.726   4.7611  7859.85  329.477   0.0000   0.0000  7859.85  329.477  ?   ?   226.726   4.7611 0.000000 4.761096 
1 1 1    5   17   38 o  208.510   4.6947  6647.67  298.780   0.0000   0.0000  6647.67  298.780  ?   ?   208.510   4.6947 0.000000 4.694705 
1 1 1    5   17   39 o  134.197   3.1395  2750.78  128.593  3056.98  191.666  2500.12  173.416  141.405   4.4408  127.879   4.4430 13.52631 6.281768 
1 1 1    5   17   40 o  158.932   3.6377  3859.71  176.464  4005.94  248.883  3711.88  250.239  161.821   5.0390  155.752   5.2639 6.069702 7.286947 
1 1 1    5   17   41 o   79.009   4.5991  957.900  110.429  1152.64  266.765  917.630  121.311   85.837   10.394   77.267   5.1737 8.570030 11.61044 
1 1 1    5   17   42 o  228.102   5.4464  7965.57  379.188  7984.57  430.619  7899.97  800.094  228.270   6.1805  225.603   11.659 2.667862 13.19601 
1 1 1    5   17   43 o  232.303   6.8878  8280.13  488.372  8289.54  711.442  8271.74  671.604  231.730   10.059  231.624   9.4998 0.1062622 13.83554 
1 1 1    5   17   44 o   35.260   3.8991  192.409   41.261  173.029   91.218  197.394   46.265   32.958   8.8716   35.662   4.3399 -2.703606 9.876197 
1 1 1    5   17   45 o   33.109   4.8728  171.389   47.770  155.736   79.895  180.098   59.597   31.248   8.2539   33.774   6.0011 -2.526339 10.20487 
1 1 1    5   17   46 o   70.878   2.9936  767.658   64.762  746.150   99.288  783.584   85.439   69.655   4.6975   71.468   3.9319 -1.812981 6.125913 
1 1 1    5   17   47 o  126.107   3.1887  2430.91  122.735  2504.27  159.605  2324.75  191.994  127.929   4.0875  123.166   5.1072 4.762543 6.541482 
1 1 1    5   17   48 o   53.644   4.9859  444.861   80.703  474.679  240.312  441.071   85.679   53.845   14.359   53.364   5.3316 0.4815636 15.31677 
1 1 1    5   17   49 o   56.456   9.6333  508.480  160.039  443.869  238.939  561.049  215.526   52.050   14.501   58.697   12.418 -6.647499 19.09114 
1 1 1    5   17   50 o  131.454   10.216  2714.25  406.662   0.0000   0.0000  2714.25  406.662  ?   ?   131.454   10.216 0.000000 10.21566 
1 1 1    5   17   51 o  103.569   4.8707  1646.84  153.972   0.0000   0.0000  1646.84  153.972  ?   ?   103.569   4.8707 0.000000 4.870740 
1 1 1    5   17   52 o   21.185   7.3611   62.574   58.243   98.575  116.397   50.549   67.270   27.946   10.322   20.832   7.8165 7.114012 12.94758 
1 1 1    5   17   53 o   64.304   4.1361  636.996   80.749  662.830  138.684  623.746   99.321   65.026   7.1030   63.461   5.1726 1.564960 8.786852 
1 1 1    5   18    0 o  199.092   14.847  6170.41  890.657  6170.41  890.657  6170.41  890.657  199.092   14.847  199.092   14.847 -0.000000 0.000000 
1 1 1    5   18    1 o  458.322   28.407 33090.83  3954.31   0.0000   0.0000 33090.83  3954.31  ?   ?   458.322   28.407 0.000000 28.40715 
1 1 1    5   18    2 o  536.668   33.174 45836.49  5407.31   0.0000   0.0000 45836.49  5407.31  ?   ?   536.668   33.174 0.000000 33.17361 
1 1 1    5   18    3 o  400.211   24.984 25086.03  3036.68   0.0000   0.0000 25086.03  3036.68  ?   ?   400.211   24.984 0.000000 24.98440 
1 1 1    5   18    4 o  577.264   35.793 53428.36  6275.48   0.0000   0.0000 53428.36  6275.48  ?   ?   577.264   35.793 0.000000 35.79331 
1 1 1    5   18    5 o  380.556   23.915 22659.54  2763.74   0.0000   0.0000 22659.54  2763.74  ?   ?   380.556   23.915 0.000000 23.91529 
1 1 1    5   18    6 o  229.317   5.3802  8034.24  376.577  8694.23  413.540  4829.46  911.265  238.535   5.6800  176.088   17.174 62.44777 18.08858 
1 1 1    5   18    7 o  175.656   8.0903  4721.03  433.755  4643.64  740.001  4761.54  535.369  173.191   14.122  176.006   10.007 -2.814758 17.30789 
1 1 1    5   18    8 o  113.200   9.6186  1976.99  329.185  1413.82  465.948  2538.18  465.129   94.341   16.797  128.029   12.044 -33.68817 20.66924 
1 1 1    5   18    9 o  163.200   7.3974  4074.11  368.481  3455.00  616.858  4417.60  459.464  149.259   13.693  169.621   8.9059 -20.36217 16.33440 
1 1 1    5   18   10 o  220.256   10.649  7440.42  715.881  6739.14  1005.75  8160.58  1019.20  208.393   15.933  229.716   14.612 -21.32312 21.61876 
1 1 1    5   18   11 o   90.242   8.2930  1257.15  225.866  1293.59  322.896  1222.24  316.059   91.013   11.909   88.404   12.025 2.608803 16.92451 
1 1 1    5   18   12 o  204.005   8.5221  6373.25  530.646  7304.35  909.716  5893.06  653.304  217.372   13.783  195.644   10.985 21.72818 17.62478 
1 1 1    5   18   13 o  362.932   15.954 20354.60  1767.36 20124.92  2500.91 20583.73  2497.94  357.804   23.022  362.011   22.722 -4.206665 32.34695 
1 1 1    5   18   14 o  149.968   7.3538  3441.82  336.612  3318.84  569.845  3507.73  417.176  146.294   12.894  151.017   9.0930 -4.723297 15.77748 
1 1 1    5   18   15 o   84.251   9.1530  1100.74  231.586  1199.02  319.424  991.838  336.247   87.451   12.308   78.975   14.483 8.475494 19.00614 
1 1 1    5   18   16 o  267.232   17.874 11135.56  1449.50 11135.56  1449.50   0.0000   0.0000  267.232   17.874  ?   ?  0.000000 17.87412 
1 1 1    5   18   17 o  375.150   23.861 22245.97  2718.04 22245.97  2718.04   0.0000   0.0000  375.150   23.861  ?   ?  0.000000 23.86143 
1 1 1    5   18   18 o  140.353   4.8564  3010.41  208.044  3313.65  537.433  2956.96  225.636  146.238   12.151  139.083   5.3152 7.154999 13.26228 
1 1 1    5   18   19 o   59.072   9.9443  550.112  172.927  620.571  262.970  496.429  229.536   62.182   14.171   55.634   13.626 6.548431 19.65912 
1 1 1    5   18   20 o   50.254   13.578  402.796  213.209   0.0000   0.0000  402.796  213.209  ?   ?    50.254   13.578 0.000000 13.57835 
1 1 1    5   18   21 o  115.234   7.1172  2040.68  249.099  2081.45  513.601  2028.14  284.843  115.046   14.982  114.749   8.1865 0.2962036 17.07265 
1 1 1    5   18   22 o  103.313   3.4893  1630.21  110.030  1823.82  182.535  1519.72  137.898  109.074   5.5006   99.723   4.5305 9.350304 7.126144 
1 1 1    5   18   23 o  279.233   5.9330 11927.50  505.659 11514.89  720.641 12327.69  709.705  274.002   8.6168  283.574   8.1996 -9.572205 11.89469 
1 1 1    5   18   24 o  177.248   13.629  4883.79  731.662   0.0000   0.0000  4883.79  731.662  ?   ?   177.248   13.629 0.000000 13.62865 
1 1 1    5   18   25 o   75.762   12.688  909.245  283.026   0.0000   0.0000  909.245  283.026  ?   ?    75.762   12.688 0.000000 12.68796 
1 1 1    5   18   26 o  289.513   13.217 12955.96  1167.94   0.0000   0.0000 12955.96  1167.94  ?   ?   289.513   13.217 0.000000 13.21711 
1 1 1    5   18   27 o  111.539   2.8377  1899.78   96.609  1896.80  127.452  1903.81  148.115  111.426   3.7475  111.611   4.3478 -0.1852188 5.739993 
1 1 1    5   18   28 o  212.745   10.570  6966.82  686.339  7301.44  986.047  6652.33  955.915  216.361   15.025  206.395   15.283 9.965744 21.43129 
1 1 1    5   18   29 o  106.972   3.5093  1748.03  114.581  1772.48  173.521  1729.12  152.577  107.652   5.2810  106.351   4.7003 1.300667 7.069777 
1 1 1    5   18   30 o   93.290   3.4461  1329.44   98.127  1368.13  103.318  973.253  313.490   94.635   3.5769   78.197   13.630 16.43769 14.09165 
1 1 1    5   18   31 o  109.870   2.8732  1843.47   96.352  1950.55  125.991  1692.62  149.540  112.993   3.6532  105.222   4.6562 7.770660 5.918276 
1 1 1    5   18   32 o  225.405   4.7999  7768.25  330.224  7054.27  472.706  8448.80  461.510  214.546   7.2186  234.897   6.4370 -20.35153 9.671824 
1 1 1    5   18   33 o  116.332   2.7885  2066.64   99.013   0.0000   0.0000  2066.64   99.013  ?   ?   116.332   2.7885 0.000000 2.788508 
1 1 1    5   18   34 o  229.154   4.4431  8027.01  310.767  8592.91  483.602  7628.95  405.598  236.850   6.6896  223.255   5.9522 13.59416 8.954265 
1 1 1    5   18   35 o   75.483   3.2716  870.318   75.375  861.994  398.855  870.627   76.758   72.754   18.048   75.495   3.3311 -2.740707 18.35317 
1 1 1    5   18   36 o  173.984   4.0088  4626.13  212.884   0.0000   0.0000  4626.13  212.884  ?   ?   173.984   4.0088 0.000000 4.008810 
1 1 1    5   18   37 o   32.346   5.4072  164.401   51.499   89.843   85.428  206.964   64.546   25.598   8.9139   36.285   6.0404 -10.68736 10.76772 
1 1 1    5   18   38 o  268.719   9.2435 11109.41  758.144 11438.25  881.594 10175.67  1485.55  272.320   10.606  253.085   19.378 19.23529 22.09120 
1 1 1    5   18   39 o   86.967   2.9378  1155.24   77.982  1248.81  141.428  1114.37   93.475   90.193   5.1588   85.397   3.5862 4.796562 6.282856 
1 1 1    5   18   40 o   83.384   3.1838  1062.23   81.030  1146.38  115.530  980.747  113.679   86.471   4.3917   79.936   4.6797 6.534943 6.417662 
1 1 1    5   18   41 o  175.801   2.7914  4720.72  149.781  4752.63  219.424  4692.87  204.960  176.306   4.0776  175.214   3.8325 1.092911 5.595956 
1 1 1    5   18   42 o  296.623   4.4057 13458.95  398.876 13384.76  513.258 13572.08  633.820  295.575   5.6892  297.344   6.9838 -1.768829 9.007774 
1 1 1    5   18   43 o  111.386   5.4305  1900.66  184.625  1929.30  219.719  1831.86  340.538  111.951   6.4576  108.320   10.429 3.630455 12.26635 
1 1 1    5   18   44 o  106.181   4.0677  1724.60  131.829  1744.24  142.326  1605.96  349.755  106.765   4.3676  101.020   11.551 5.745209 12.34915 
1 1 1    5   18   45 o  313.955   5.6595 15116.59  542.329 16116.89  779.307 14177.22  755.200  323.428   7.8943  303.244   8.1593 20.18420 11.35315 
1 1 1    5   18   46 o   32.397   6.0186  166.266   57.323  235.898  102.722  134.776   69.079   38.304   8.9479   29.056   7.6749 9.247997 11.78849 
1 1 1    5   18   47 o  171.188   4.8064  4491.78  251.137  4761.51  573.252  4427.72  279.373  174.407   10.822  169.868   5.3884 4.539398 12.08938 
1 1 1    5   18   48 o   71.260   3.4312  776.882   74.630   0.0000   0.0000  776.882   74.630  ?   ?    71.260   3.4312 0.000000 3.431244 
1 1 1    5   18   49 f  148.454   5.2715  3385.62  238.861   0.0000   0.0000  3385.62  238.861  ?   ?   148.454   5.2715 0.000000 5.271547 
1 1 1    5   18   50 o   49.697   11.796  405.744  176.251  398.819  242.162  413.544  257.015   49.299   14.861   50.200   15.350 -0.9014359 21.36520 
1 1 1    5   18   51 o   25.585   7.4417  103.575   61.606  183.347  145.018   86.009   68.051   34.783   11.626   24.066   7.9611 10.71664 14.09077 
1 1 1    5   18   52 o   91.581   15.664  1410.70  422.100  1465.90  682.715  1376.55  537.044   88.097   24.500   87.780   20.428 0.3168182 31.89925 
1 1 1    5   19    2 o  389.972   24.616 23974.42  2914.91 23974.42  2914.91   0.0000   0.0000  389.972   24.616  ?   ?  0.000000 24.61554 
1 1 1    5   19    3 o  303.087   19.771 14343.35  1818.97 14343.35  1818.97   0.0000   0.0000  303.087   19.771  ?   ?  0.000000 19.77091 
1 1 1    5   19    4 o  169.424   5.8207  4387.98  301.000  4387.98  301.000   0.0000   0.0000  169.424   5.8207  ?   ?  0.000000 5.820677 
1 1 1    5   19    5 o  358.389   15.713 19843.84  1718.77 18938.80  2428.31 20752.48  2433.12  346.989   23.060  363.757   22.018 -16.76807 31.88340 
1 1 1    5   19    6 o  350.050   14.643 18903.89  1564.54 22380.83  2221.78 15483.88  2203.51  378.931   19.273  313.485   23.194 65.44626 30.15668 
1 1 1    5   19    7 o  302.864   13.659 14133.49  1262.61 15243.74  1790.11 13034.33  1781.14  312.653   18.847  288.501   20.358 24.15146 27.74223 
1 1 1    5   19    8 o  309.137   20.228 14957.49  1898.08 14957.49  1898.08   0.0000   0.0000  309.137   20.228  ?   ?  0.000000 20.22783 
1 1 1    5   19    9 o  124.705   9.8401  2400.25  371.500  1021.55  480.880  4441.10  585.071   79.447   19.879  169.629   11.366 -90.18157 22.89923 
1 1 1    5   19   10 o  197.069   14.777  6030.11  882.364  6030.11  882.364   0.0000   0.0000  197.069   14.777  ?   ?  0.000000 14.77698 
1 1 1    5   19   11 o  109.997   11.799  1881.67  389.933  1881.67  389.933   0.0000   0.0000  109.997   11.799  ?   ?  0.000000 11.79850 
1 1 1    5   19   12 o  182.746   9.6613  5137.77  536.977  4762.37  758.831  5514.30  759.970  175.067   14.327  188.689   13.280 -13.62135 19.53514 
1 1 1    5   19   13 o  191.080   14.208  5667.35  822.704  5667.35  822.704   0.0000   0.0000  191.080   14.208  ?   ?  0.000000 14.20787 
1 1 1    5   19   14 o  246.260   16.799  9451.37  1255.13  9451.37  1255.13   0.0000   0.0000  246.260   16.799  ?   ?  0.000000 16.79876 
1 1 1    5   19   15 o  319.922   20.737 16089.33  2014.00 16089.33  2014.00   0.0000   0.0000  319.922   20.737  ?   ?  0.000000 20.73690 
1 1 1    5   19   16 o   89.120   7.1095  1223.58  191.781  1340.86  333.414  1165.60  234.448   92.551   12.092   86.718   8.9882 5.833427 15.06654 
1 1 1    5   19   17 o  176.080   7.7402  4749.66  415.984  5298.14  723.247  4478.52  508.513  184.910   12.895  170.506   9.8125 14.40402 16.20427 
1 1 1    5   19   18 o   49.766   11.116  395.908  164.585  382.721  249.219  406.108  219.180   49.593   15.105   50.473   13.822 -0.8805695 20.47418 
1 1 1    5   19   19 o  112.566   11.675  1971.80  395.302   0.0000   0.0000  1971.80  395.302  ?   ?   112.566   11.675 0.000000 11.67526 
1 1 1    5   19   20 o  163.717   13.021  4163.39  645.302   0.0000   0.0000  4163.39  645.302  ?   ?   163.717   13.021 0.000000 13.02135 
1 1 1    5   19   21 o  416.226   9.9171 26622.82  1259.89 27364.90  1386.43 23105.24  3018.53  421.726   10.771  379.208   26.241 42.51782 28.36544 
1 1 1    5   19   22 o  194.607   4.0560  5786.56  240.921  5799.45  265.509  5726.44  573.245  194.799   4.4656  192.798   9.7733 2.000076 10.74517 
1 1 1    5   19   23 o   85.039   7.0386  1115.20  181.051  882.486  333.356  1212.57  215.624   74.098   15.248   88.562   8.0653 -14.46426 17.24977 
1 1 1    5   19   24 o  141.338   4.7608  3053.88  205.377  2690.01  537.010  3116.22  222.275  131.168   13.612  142.755   5.1013 -11.58687 14.53609 
1 1 1    5   19   26 o  255.614   7.0485 10010.61  549.916 11038.93  1419.21  9828.95  596.517  265.165   17.636  253.186   7.7191 11.97916 19.25122 
1 1 1    5   19   27 o  110.147   4.6266  1854.72  155.543  2033.64  628.323  1843.04  160.539  112.408   18.990  109.793   4.7906 2.615372 19.58483 
1 1 1    5   19   28 o  279.330   6.9437 11954.08  592.005 12008.67  708.321 11827.58  1078.23  279.735   8.2960  276.568   12.773 3.166321 15.23060 
1 1 1    5   19   29 o  127.117   3.2050  2468.07  124.352  2382.43  154.086  2628.03  210.584  124.861   4.0432  131.078   5.2635 -6.217354 6.637164 
1 1 1    5   19   30 o  163.119   4.1094  4066.30  204.599  4150.34  287.854  3980.49  290.862  164.689   5.7265  161.270   5.9090 3.419083 8.228598 
1 1 1    5   19   31 o  294.809   6.9121 13316.37  621.967 13634.31  738.847 12543.07  1152.26  298.084   8.1208  284.618   13.264 13.46609 15.55249 
1 1 1    5   19   32 o  296.352   10.906 13537.32  986.486 14956.44  1717.87 12839.11  1204.97  308.218   18.344  287.779   13.718 20.43863 22.90584 
1 1 1    5   19   33 o  164.059   3.8599  4112.88  193.283   0.0000   0.0000  4112.88  193.283  ?   ?   164.059   3.8599 0.000000 3.859901 
1 1 1    5   19   34 o  174.748   7.8095  4685.50  416.535   0.0000   0.0000  4685.50  416.535  ?   ?   174.748   7.8095 0.000000 7.809501 
1 1 1    5   19   35 o  133.695   4.8239  2733.65  196.848   0.0000   0.0000  2733.65  196.848  ?   ?   133.695   4.8239 0.000000 4.823931 
1 1 1    5   19   36 o   66.469   3.2148  674.923   65.221  765.480   93.491  589.067   91.031   70.625   4.3583   61.868   4.8597 8.756134 6.527816 
1 1 1    5   19   37 o   37.324   5.2849  217.407   58.524  227.776   78.986  204.785   87.145   37.933   7.0826   35.807   8.1559 2.125889 10.80197 
1 1 1    5   19   38 o  118.287   2.5715  2136.81   92.841  2482.59  147.212  1908.46  119.631  127.447   3.7844  111.754   3.5072 15.69254 5.159659 
1 1 1    5   19   39 o  113.594   2.3955  1970.51   83.056  2040.82  143.922  1935.41  101.699  115.532   4.0814  112.559   2.9602 2.973404 5.041880 
1 1 1    5   19   40 o   66.151   4.2714  672.052   85.783  917.510  183.302  603.219   97.069   76.849   7.9286   62.564   5.1283 14.28572 9.442557 
1 1 1    5   19   41 o  284.648   4.7009 12400.36  408.419 12624.62  519.947 12039.05  659.956  286.969   5.9362  279.797   7.7278 7.172058 9.744590 
1 1 1    5   19   42 o   25.811   6.1434  106.297   47.699  131.045   86.272   95.402   57.244   29.105   8.8920   24.676   7.1723 4.428160 11.42412 
1 1 1    5   19   43 o   30.246   8.9640  143.313   88.658  143.313   88.658   0.0000   0.0000   30.246   8.9640  ?   ?  0.000000 8.963964 
1 1 1    5   19   44 o  165.992   4.3041  4217.80  218.067  4479.33  250.852  3408.85  441.181  170.996   4.8063  147.971   9.8242 23.02534 10.93694 
1 1 1    5   19   45 o   54.585   11.347  481.738  182.880  737.616  753.905  465.740  188.510   70.366   26.214   53.561   11.845 16.80436 28.76572 
1 1 1    5   19   46 o   95.352   4.7357  1393.88  137.825  1564.11  803.855  1388.72  139.897   93.054   26.828   95.045   4.8384 -1.991486 27.26112 
1 1 1    5   19   47 o  145.531   3.8900  3243.36  172.791   0.0000   0.0000  3243.36  172.791  ?   ?   145.531   3.8900 0.000000 3.889991 
1 1 1    5   19   48 f   87.161   4.0909  1164.34  108.832  1323.57  365.497  1148.85  114.003   90.117   13.721   86.559   4.3151 3.558220 14.38375 
1 1 1    5   19   49 o  162.530   4.1539  4051.07  206.065  4250.59  326.252  3918.64  265.793  165.919   6.4423  159.570   5.4573 6.348541 8.443036 
1 1 1    5   19   50 o  123.966   6.3051  2380.20  237.782  2335.81  255.473  2667.78  650.297  122.639   6.8523  125.555   17.440 -2.915718 18.73800 
1 1 1    5   19   51 o  192.081   9.0395  5786.83  529.967  5771.74  642.944  5818.81  936.037  190.235   11.121  186.167   16.649 4.068390 20.02164 
1 1 1    5   20    0 o  217.345   15.524  7362.65  1017.80  7362.65  1017.80  7362.65  1017.80  217.345   15.524  217.345   15.524 -0.000000 0.000000 
1 1 1    5   20    1 o  298.683   13.528 13759.58  1233.32 13946.54  1746.33 13573.53  1742.02  298.515   19.269  294.393   19.497 4.122101 27.41268 
1 1 1    5   20    2 o  166.222   8.2349  4233.27  417.796  7418.42  609.484  1409.86  573.832  219.949   9.0787   93.209   20.708 126.7401 22.61095 
1 1 1    5   20    3 o   49.758   12.539  396.087  190.355  688.694  296.426  190.742  248.322   65.457   15.139   40.286   15.037 25.17084 21.33764 
1 1 1    5   20    4 f   70.498   15.799  799.311  331.549  799.311  331.549   0.0000   0.0000   70.498   15.799  ?   ?  0.000000 15.79949 
1 1 1    5   20    5 o  250.222   17.178  9765.43  1304.00  9765.43  1304.00   0.0000   0.0000  250.222   17.178  ?   ?  0.000000 17.17801 
1 1 1    5   20    6 o  234.124   16.512  8541.65  1172.40  8541.65  1172.40   0.0000   0.0000  234.124   16.512  ?   ?  0.000000 16.51216 
1 1 1    5   20    7 o  469.118   29.730 35496.50  4234.93 35496.50  4234.93   0.0000   0.0000  469.118   29.730  ?   ?  0.000000 29.73015 
1 1 1    5   20    8 o  260.322   7.7940 10380.56  619.285 10380.56  619.285   0.0000   0.0000  260.322   7.7940  ?   ?  0.000000 7.794024 
1 1 1    5   20    9 o  159.619   5.7068  3896.10  278.030  3896.10  278.030   0.0000   0.0000  159.619   5.7068  ?   ?  0.000000 5.706784 
1 1 1    5   20   10 o   51.920   5.5108  416.794   85.995  416.794   85.995   0.0000   0.0000   51.920   5.5108  ?   ?  0.000000 5.510808 
1 1 1    5   20   11 o  378.728   9.6313 22019.55  1113.34 22152.15  1223.64 21381.86  2683.40  379.641   10.560  366.861   24.098 12.77975 26.31058 
1 1 1    5   20   12 o  198.751   5.8945  6042.04  357.579  6046.14  388.962  6019.65  908.665  198.777   6.4110  196.558   15.266 2.219513 16.55727 
1 1 1    5   20   13 o  144.645   4.8093  3197.86  212.327  3240.65  230.745  2961.49  542.354  145.591   5.1925  137.936   13.037 7.654816 14.03271 
1 1 1    5   20   14 o  163.508   4.6349  4085.94  231.312  4254.10  270.140  3623.83  447.814  166.801   5.3061  153.322   9.6179 13.47902 10.98448 
1 1 1    5   20   15 o  141.628   4.7842  3065.97  206.812  3091.50  225.122  2927.93  523.528  142.197   5.1869  137.197   12.644 4.999496 13.66678 
1 1 1    5   20   16 o  252.000   11.867  9787.19  912.770   0.0000   0.0000  9787.19  912.770  ?   ?   252.000   11.867 0.000000 11.86709 
1 1 1    5   20   17 o  262.215   17.669 10772.63  1405.88   0.0000   0.0000 10772.63  1405.88  ?   ?   262.215   17.669 0.000000 17.66901 
1 1 1    5   20   18 o  219.351   10.770  7405.25  721.052   0.0000   0.0000  7405.25  721.052  ?   ?   219.351   10.770 0.000000 10.76986 
1 1 1    5   20   19 o  185.781   5.1137  5277.62  289.970  4925.31  778.628  5334.36  312.445  177.698   14.482  186.750   5.4815 -9.052063 15.48456 
1 1 1    5   20   20 o  201.027   5.1210  6179.66  314.213  6512.79  372.294  5354.77  585.828  206.306   5.9123  186.277   10.344 20.02916 11.91483 
1 1 1    5   20   21 o  316.321   7.6187 15339.14  735.571 15382.97  875.917 15234.28  1354.80  316.476   9.0679  313.513   14.158 2.963257 16.81292 
1 1 1    5   20   22 f  174.117   5.3555  4637.22  284.617  4276.89  336.404  5544.81  533.898  167.118   6.5951  189.975   9.2076 -22.85678 11.32583 
1 1 1    5   20   23 o   47.704   9.6018  362.232  134.967  645.163  261.467  259.462  157.584   63.329   13.907   40.651   11.924 22.67875 18.31964 
1 1 1    5   20   24 o  113.097   4.6673  1955.50  161.113  1844.60  190.924  2229.79  300.269  109.646   5.7248  120.268   8.2293 -10.62193 10.02470 
1 1 1    5   20   25 o   54.771   4.6743  461.956   77.394  443.843   86.681  533.155  171.860   53.599   5.3707   58.052   10.064 -4.453064 11.40742 
1 1 1    5   20   26 f   38.393   6.0339  231.062   68.376  229.913   71.922  241.859  220.466   38.240   6.3875   41.437   14.326 -3.197971 15.68549 
1 1 1    5   20   27 o  328.100   21.405 17117.73  2131.83   0.0000   0.0000 17117.73  2131.83  ?   ?   328.100   21.405 0.000000 21.40498 
1 1 1    5   20   28 o   35.994   13.114  164.146  186.939   0.0000   0.0000  164.146  186.939  ?   ?    35.994   13.114 0.000000 13.11425 
1 1 1    5   20   29 o  153.115   5.0754  3585.64  237.196   0.0000   0.0000  3585.64  237.196  ?   ?   153.115   5.0754 0.000000 5.075449 
1 1 1    5   20   30 o  306.927   5.9362 14420.30  556.109 15196.53  826.882 13779.26  751.434  314.554   8.6125  299.613   8.2170 14.94162 11.90357 
1 1 1    5   20   31 o  202.805   4.7062  6289.17  291.319  6177.26  436.448  6379.08  391.225  200.740   7.1233  204.094   6.2803 -3.354248 9.496494 
1 1 1    5   20   32 o   56.624   12.871  515.998  217.404   0.0000   0.0000  515.998  217.404  ?   ?    56.624   12.871 0.000000 12.87092 
1 1 1    5   20   33 o  123.721   3.4934  2338.69  131.919  2513.38  212.575  2229.28  168.234  128.154   5.4345  120.743   4.5649 7.410881 7.097361 
1 1 1    5   20   34 f  203.228   4.1439  6313.72  257.045  6438.43  282.225  5706.86  622.549  205.194   4.5062  192.023   10.664 13.17073 11.57689 
1 1 1    5   20   35 o  149.838   3.6175  3430.93  165.443  3657.53  264.284  3284.91  212.156  154.562   5.6021  146.544   4.7432 8.018158 7.340393 
1 1 1    5   20   36 o  169.945   3.6298  4413.88  188.284  4602.79  216.787  3833.85  379.866  173.510   4.0935  157.970   7.8784 15.53983 8.878382 
1 1 1    5   20   37 o  103.645   3.6161  1641.84  114.396  1673.23  131.251  1542.61  233.342  104.608   4.1107   99.909   7.7116 4.699043 8.738806 
1 1 1    5   20   38 o  203.602   3.4406  6335.42  213.813  6831.10  278.083  5618.64  334.399  211.331   4.3112  191.498   5.7212 19.83366 7.163654 
1 1 1    5   20   39 o   75.626   3.3249  874.071   76.748  921.003  100.320  807.839  119.175   77.478   4.2585   72.417   5.4313 5.061218 6.901772 
1 1 1    5   20   40 o  145.453   4.6740  3238.54  207.506  3297.71  236.234  3038.70  434.165  146.715   5.2753  139.732   10.251 6.982773 11.52909 
1 1 1    5   20   41 o   83.868   3.1239  1075.03   79.968  1100.36  107.356  1043.44  119.858   84.804   4.1476   82.408   4.7858 2.395294 6.332943 
1 1 1    5   20   42 o  267.833   4.8287 10989.23  394.739 11487.17  545.457 10441.70  571.977  273.401   6.5365  260.472   7.1945 12.92929 9.720397 
1 1 1    5   20   43 o   71.372   3.5167  779.120   76.609  830.014  128.431  751.009   95.450   73.303   5.7873   69.880   4.4990 3.423347 7.330348 
1 1 1    5   20   44 o   99.871   3.2834  1525.44  100.089  2127.78  810.949  1516.12  100.860  109.802   24.785   99.563   3.3190 10.23864 25.00625 
1 1 1    5   20   45 o   33.990   5.0223  181.070   50.536  216.156  276.931  179.861   51.399   41.807   15.822   33.855   5.1352 7.951931 16.63430 
1 1 1    5   20   46 o  243.473   5.4584  9113.51  405.635  9524.19  1133.45  9053.18  434.406  242.390   15.400  242.528   5.8684 -0.1378021 16.48049 
1 1 1    5   20   47 o  157.504   7.6198  3846.38  366.313  3708.86  607.964  3924.76  458.982  151.773   13.257  158.126   9.5548 -6.352692 16.34146 
1 1 1    5   20   48 o  194.835   6.4287  5865.75  382.301  5886.99  418.234  5757.83  942.732  194.952   7.0287  185.895   16.797 9.057312 18.20786 
1 1 1    5   20   49 o   59.156   7.8112  553.624  137.588  541.192  144.053  682.879  464.481   58.340   8.3260   62.665   20.802 -4.324776 22.40664 
1 1 1    5   21    0 o  415.830   26.089 27213.01  3281.34 27213.01  3281.34 27213.01  3281.34  415.830   26.089  415.830   26.089 0.000000 0.000000 
1 1 1    5   21    1 o  576.945   24.985 52914.46  4399.84 50357.15  6222.51 55471.44  6222.11  548.494   37.392  578.362   35.417 -29.86884 51.50278 
1 1 1    5   21    2 o  508.163   32.473 42318.65  5010.30 42318.65  5010.30   0.0000   0.0000  508.163   32.473  ?   ?  0.000000 32.47276 
1 1 1    5   21    3 o  266.559   17.992 11125.83  1455.27 11125.83  1455.27   0.0000   0.0000  266.559   17.992  ?   ?  0.000000 17.99209 
1 1 1    5   21    4 o  201.798   6.4682  6232.23  398.400  6232.23  398.400   0.0000   0.0000  201.798   6.4682  ?   ?  0.000000 6.468228 
1 1 1    5   21    5 o  210.022   6.7062  6752.13  429.893  6188.66  471.198  9549.96  1049.97  200.973   7.6816  248.153   13.919 -47.18024 15.89767 
1 1 1    5   21    6 o  381.908   16.805 22688.83  1958.89 24650.82  2769.94 20725.85  2770.64  394.156   23.125  359.900   25.385 34.25647 34.33918 
1 1 1    5   21    7 o  189.613   8.6900  5515.45  502.927  9929.39  735.871  1646.58  688.938  254.288   9.4811  100.168   23.017 154.1199 24.89324 
1 1 1    5   21    8 f  305.546   20.165 14708.89  1870.00 14708.89  1870.00   0.0000   0.0000  305.546   20.165  ?   ?  0.000000 20.16495 
1 1 1    5   21    9 o  287.726   19.254 13017.07  1681.14 13017.07  1681.14   0.0000   0.0000  287.726   19.254  ?   ?  0.000000 19.25401 
1 1 1    5   21   10 o  216.880   15.828  7343.27  1040.53  7343.27  1040.53   0.0000   0.0000  216.880   15.828  ?   ?  0.000000 15.82803 
1 1 1    5   21   11 o  319.111   14.697 15783.46  1431.49 16540.34  2010.99 15005.97  2038.16  323.766   20.455  307.613   21.850 16.15305 29.93038 
1 1 1    5   21   12 o  539.783   14.895 45189.36  2454.04 45189.36  2454.04   0.0000   0.0000  539.783   14.895  ?   ?  0.000000 14.89517 
1 1 1    5   21   13 o  361.580   15.942 20330.17  1759.41   0.0000   0.0000 20330.17  1759.41  ?   ?   361.580   15.942 0.000000 15.94214 
1 1 1    5   21   14 o  275.674   12.932 11744.64  1088.13   0.0000   0.0000 11744.64  1088.13  ?   ?   275.674   12.932 0.000000 12.93210 
1 1 1    5   21   15 o  181.033   9.8431  5053.33  541.839   0.0000   0.0000  5053.33  541.839  ?   ?   181.033   9.8431 0.000000 9.843071 
1 1 1    5   21   16 o  380.849   9.1267 22279.61  1060.92 21981.07  1263.99 22991.32  1951.65  377.749   10.963  384.007   16.651 -6.258148 19.93605 
1 1 1    5   21   17 o  112.637   3.7691  1938.36  129.578  2172.92  149.291  1221.95  260.909  119.245   4.1018   88.615   9.8110 30.63001 10.63397 
1 1 1    5   21   18 o  326.748   11.752 16474.36  1172.06 18973.55  2036.08 15235.79  1433.36  346.951   19.303  313.147   14.996 33.80380 24.44405 
1 1 1    5   21   19 o  211.329   8.6127  6856.71  555.537  6918.21  967.708  6826.48  678.475  210.439   15.168  210.277   10.605 0.1612396 18.50774 
1 1 1    5   21   20 o  145.600   4.5589  3240.77  202.600  3548.32  564.674  3195.33  217.052  151.052   12.356  144.555   4.9194 6.497162 13.29914 
1 1 1    5   21   21 o  185.514   5.4290  5265.02  307.406  5016.68  363.608  5887.31  575.579  180.982   6.5824  195.658   9.6381 -14.67604 11.67132 
1 1 1    5   21   22 o   28.600   6.6863  130.332   57.322  131.532   62.144  123.486  148.423   28.733   7.1218   31.717   11.666 -2.983917 13.66775 
1 1 1    5   21   23 o  168.587   5.0659  4346.80  260.674  4200.87  307.457  4719.91  491.606  165.654   6.0809  174.996   9.2366 -9.342758 11.05856 
1 1 1    5   21   24 o  114.366   8.6589  2019.99  300.018  2165.39  436.010  1889.24  413.465  117.749   12.314  109.849   12.557 7.900932 17.58751 
1 1 1    5   21   25 o  164.251   9.4516  4161.91  471.839  4118.52  676.286  4203.06  658.627  162.418   13.772  164.223   13.253 -1.804581 19.11271 
1 1 1    5   21   26 o  288.374   7.6141 12754.22  670.176 12836.05  736.459 12360.02  1616.39  289.154   8.3446  279.678   19.049 9.475311 20.79622 
1 1 1    5   21   27 o  106.597   4.5259  1737.20  147.255  1603.93  171.100  2117.86  289.175  102.236   5.5034  117.188   8.1350 -14.95212 9.821721 
1 1 1    5   21   28 o  100.197   13.169  1581.10  392.978  1783.81  666.960  1473.31  486.370  104.196   21.677   95.626   17.301 8.570229 27.73486 
1 1 1    5   21   29 o   57.303   5.2206  506.506   90.309  419.351  156.101  550.350  110.718   51.273   10.332   59.632   6.1724 -8.359619 12.03510 
1 1 1    5   21   30 o   99.764   6.0866  1529.84  184.454  1527.04  198.545  1547.51  498.513   99.614   6.5669   97.996   17.299 1.618736 18.50376 
1 1 1    5   21   31 o   97.010   5.9768  1446.62  176.111  1563.03  227.840  1273.85  277.578  100.657   7.4693   90.340   10.248 10.31670 12.68114 
1 1 1    5   21   32 o   99.917   3.1835  1525.14   97.087  1427.14  208.449  1552.28  109.714   96.193   7.1508  100.789   3.5664 -4.595749 7.990839 
1 1 1    5   21   33 o   67.122   4.3838  691.885   89.317  689.990   96.509  703.199  235.799   66.993   4.7506   66.382   12.083 0.6109848 12.98340 
1 1 1    5   21   34 o  163.483   2.9714  4082.78  148.270  4265.46  217.317  3923.69  202.807  167.014   4.2631  160.191   4.1479 6.822083 5.948007 
1 1 1    5   21   35 o  179.960   3.9354  4951.36  216.164  5266.74  343.802  4745.18  277.985  185.371   6.0764  176.057   5.1731 9.313583 7.980240 
1 1 1    5   21   36 f  126.353   3.1662  2439.50  122.106  2436.74  157.958  2443.59  192.483  126.229   4.0998  126.343   4.9914 -0.1141815 6.459332 
1 1 1    5   21   37 o  157.278   3.1778  3780.08  152.549  3751.55  275.269  3792.72  183.265  156.445   5.7647  157.495   3.8124 -1.049667 6.911320 
1 1 1    5   21   38 o  168.387   3.4385  4334.40  176.726  4477.31  305.178  4262.30  216.772  170.870   5.8515  166.907   4.2551 3.963760 7.235088 
1 1 1    5   21   39 o  202.090   3.7372  6245.97  230.519  6596.15  287.718  5618.21  385.227  207.573   4.5413  191.236   6.5998 16.33685 8.011255 
1 1 1    5   21   40 o   93.159   2.9359  1326.35   83.482  1720.26  190.858  1233.16   92.833  105.699   5.9400   89.806   3.3867 15.89275 6.837677 
1 1 1    5   21   41 o   43.254   6.0256  292.815   77.389  322.415   87.368  184.982  166.756   45.341   6.4989   35.969   12.458 9.372208 14.05127 
1 1 1    5   21   42 o   85.887   8.6201  1153.26  222.925  1397.19  795.494  1132.47  232.230   88.337   27.003   84.988   9.0936 3.348930 28.49350 
1 1 1    5   21   43 o   83.265   4.3010  1065.19  108.935   0.0000   0.0000  1065.19  108.935  ?   ?    83.265   4.3010 0.000000 4.301029 
1 1 1    5   21   44 o   48.155   3.2246  356.377   47.121   0.0000   0.0000  356.377   47.121  ?   ?    48.155   3.2246 0.000000 3.224579 
1 1 1    5   21   45 o   43.632   11.901  311.619  162.880  373.973  287.926  282.274  197.523   48.703   16.382   42.232   13.535 6.470932 21.25006 
1 1 1    5   21   46 f  145.687   6.2266  3276.63  276.877  3229.04  300.556  3543.45  711.671  144.461   6.8164  146.051   16.240 -1.589600 17.61217 
1 1 1    5   21   47 o   69.225   7.4323  752.534  154.579  720.290  163.211  1033.42  481.709   67.537   8.0779   75.915   20.367 -8.377853 21.91039 
1 1 1    5   21   48 o  112.146   4.3154  1931.95  147.714  1912.98  231.200  1945.04  192.013  110.838   6.8679  112.273   5.6032 -1.434952 8.863638 
1 1 1    5   22    0 o  397.076   25.065 24831.46  3010.01 24831.46  3010.01 24831.46  3010.01  397.076   25.065  397.076   25.065 -0.000000 0.000000 
1 1 1    5   22    1 o  251.330   10.360  9718.20  794.703 15484.19  1134.77  4168.33  1113.30  316.886   11.732  160.510   23.414 156.3760 26.18872 
1 1 1    5   22    2 o  200.790   10.460  6220.16  638.853  5888.31  903.078  6552.59  903.872  194.124   15.367  205.087   14.534 -10.96262 21.15124 
1 1 1    5   22    3 o  237.828   11.359  8716.61  824.533  9420.23  1172.88  8029.09  1159.37  245.678   15.724  226.339   16.904 19.33980 23.08640 
1 1 1    5   22    4 o  219.584   10.610  7421.63  711.134  8728.33  1015.11  6162.29  996.542  236.961   14.099  198.214   16.625 38.74661 21.79869 
1 1 1    5   22    5 o  153.814   9.2818  3647.42  433.718  3810.92  625.161  3495.69  602.223  156.444   13.216  149.766   13.313 6.678360 18.75898 
1 1 1    5   22    6 o  292.455   13.415 13234.04  1197.50 13196.07  1700.01 13271.43  1687.11  289.308   19.364  290.237   19.152 -0.9286194 27.23537 
1 1 1    5   22    7 o  191.410   9.9336  5648.97  578.349  8814.44  828.058  2634.08  808.123  239.135   11.345  127.536   21.526 111.5987 24.33292 
1 1 1    5   22    8 o  257.242   17.754 10393.23  1385.42 10393.23  1385.42   0.0000   0.0000  257.242   17.754  ?   ?  0.000000 17.75367 
1 1 1    5   22    9 o  352.332   15.550 19306.60  1672.21 21535.29  2368.90 17093.00  2360.86  368.656   21.141  326.663   23.843 41.99295 31.86587 
1 1 1    5   22   10 o  225.922   11.408  7889.54  784.105   0.0000   0.0000  7889.54  784.105  ?   ?   225.922   11.408 0.000000 11.40789 
1 1 1    5   22   11 o  192.323   16.021  5798.44  931.883   0.0000   0.0000  5798.44  931.883  ?   ?   192.323   16.021 0.000000 16.02068 
1 1 1    5   22   12 o   55.203   19.067  438.432  390.486   0.0000   0.0000  438.432  390.486  ?   ?    55.203   19.067 0.000000 19.06699 
1 1 1    5   22   13 o   54.632   13.519  480.368  224.211  461.647  321.279  498.143  313.047   54.620   17.237   56.171   16.889 -1.550880 24.13198 
1 1 1    5   22   14 o  243.178   9.6442  9094.13  715.824  9376.38  1220.52  8946.14  883.783  244.637   16.441  240.681   12.031 3.955902 20.37275 
1 1 1    5   22   15 o  285.863   13.185 12651.59  1150.41 12789.21  1635.32 12516.76  1618.64  284.698   18.927  281.631   18.940 3.067902 26.77623 
1 1 1    5   22   16 o  117.471   4.3545  2109.31  156.132  2264.45  171.165  1340.72  380.979  121.703   4.6079   91.978   14.013 29.72443 14.75154 
1 1 1    5   22   17 o  306.057   7.7038 14366.99  719.657 13839.87  855.616 15641.66  1330.53  300.038   9.3430  317.627   13.724 -17.58908 16.60263 
1 1 1    5   22   18 o   40.510   4.5001  253.961   54.702  304.517   58.211 -127.8783  159.977   44.422   4.3490   22.050   10.178 22.37213 11.06864 
1 1 1    5   22   19 o  311.379   7.3505 14865.13  698.590 15219.98  831.465 14013.32  1288.22  314.795   8.6537  300.500   14.045 14.29443 16.49708 
1 1 1    5   22   20 o  182.597   5.1879  5100.06  289.137  7087.24  788.474  4791.32  310.788  213.822   12.131  176.937   5.7548 36.88533 13.42713 
1 1 1    5   22   21 o  370.973   8.8587 21144.52  1003.07 22972.30  2617.83 20829.99  1085.95  379.042   22.733  367.967   9.6691 11.07495 24.70345 
1 1 1    5   22   22 o  144.291   5.4082  3185.42  238.180  2996.37  261.079  4123.51  581.576  139.895   6.1144  162.991   11.769 -23.09665 13.26294 
1 1 1    5   22   23 f  496.758   12.725 38194.78  1929.40 37836.94  2123.28 39890.10  4621.60  493.644   14.092  490.206   31.049 3.437592 34.09718 
1 1 1    5   22   24 o  183.535   6.1260  5157.86  343.174  5157.86  343.174   0.0000   0.0000  183.535   6.1260  ?   ?  0.000000 6.126036 
1 1 1    5   22   25 o  277.383   10.623 11862.16  899.369 12234.43  1118.53 11181.30  1512.70  280.981   13.042  265.872   18.761 15.10846 22.84906 
1 1 1    5   22   26 o  110.479   4.5741  1866.32  154.242  1828.78  166.403  2095.43  411.037  109.342   4.9861  115.858   11.788 -6.516266 12.79885 
1 1 1    5   22   27 o   74.613   6.2414  858.657  140.834  905.291  162.574  718.427  281.917   76.520   7.0397   66.745   14.271 9.775558 15.91263 
1 1 1    5   22   28 o  141.523   3.1344  3059.56  135.393  3492.86  287.215  2935.76  153.521  150.998   6.2319  138.607   3.6288 12.39044 7.211408 
1 1 1    5   22   29 o   26.882   6.6764  115.149   54.531   16.667  197.165  123.307   56.745   29.939   12.623   27.809   6.7528 2.130127 14.31534 
1 1 1    5   22   30 o  289.003   5.4289 12786.26  478.889 14409.61  729.039 11554.18  635.134  306.296   7.7982  274.321   7.5856 31.97470 10.87900 
1 1 1    5   22   31 o   53.571   3.9369  441.087   63.923  549.624  210.882  430.106   67.078   58.481   12.209   52.872   4.1910 5.609283 12.90795 
1 1 1    5   22   32 o  169.525   4.2730  4395.12  221.096  4431.35  359.767  4373.13  280.267  169.930   6.9364  168.990   5.4337 0.9392395 8.811264 
1 1 1    5   22   33 o  100.458   4.2027  1543.44  128.864  1962.14  254.205  1398.64  149.497  112.771   7.4269   95.440   5.1510 17.33072 9.038333 
1 1 1    5   22   34 o   64.039   4.6896  630.977   91.027  629.973   97.842  637.441  248.240   63.946   5.0541   62.773   13.366 1.172909 14.28967 
1 1 1    5   22   35 o  152.873   9.5810  3624.93  444.796  3539.00  661.360  3695.90  601.032  149.437   14.690  153.359   12.962 -3.921829 19.59055 
1 1 1    5   22   36 o   99.518   5.1631  1521.34  156.290  1521.34  156.290   0.0000   0.0000   99.518   5.1631  ?   ?  0.000000 5.163072 
1 1 1    5   22   37 o  186.277   4.1735  5309.92  237.290  5421.05  250.305  4324.01  745.557  188.193   4.3576  164.844   14.982 23.34900 15.60251 
1 1 1    5   22   38 o   89.975   5.2541  1245.42  143.664  1516.55  188.923  873.665  221.220   99.161   6.2744   74.404   9.9938 24.75687 11.80018 
1 1 1    5   22   39 o  104.206   2.9002  1659.75   92.244  2091.45  128.331  1198.28  132.683  116.926   3.5959   88.275   4.9444 28.65136 6.113676 
1 1 1    5   22   40 o  181.036   3.3458  5013.02  184.874  5364.62  358.116  4885.27  215.862  186.745   6.2829  178.634   3.9591 8.111313 7.426233 
1 1 1    5   22   41 o   93.240   4.1356  1331.84  117.696   0.0000   0.0000  1331.84  117.696  ?   ?    93.240   4.1356 0.000000 4.135638 
1 1 1    5   22   42 o  157.937   3.7234  3819.79  179.490   0.0000   0.0000  3819.79  179.490  ?   ?   157.937   3.7234 0.000000 3.723405 
1 1 1    5   22   43 o  112.952   4.6049  1958.31  158.758  2295.45  478.666  1916.65  168.284  119.122   13.398  111.696   4.9361 7.426155 14.27792 
1 1 1    5   22   44 o  155.888   8.5957  3801.30  407.407  4675.81  924.581  3590.59  453.842  165.975   18.569  150.890   9.9094 15.08490 21.04785 
1 1 1    5   22   45 o   87.369   7.2799  1192.78  192.364  1163.23  205.884  1395.84  539.744   86.087   7.9245   88.386   20.418 -2.299484 21.90213 
1 1 1    5   22   46 o  157.538   4.4745  3814.26  215.153  3795.20  319.957  3829.99  290.688  156.464   6.6998  157.406   6.0505 -0.9416351 9.027450 
1 1 1    5   23    0 o  451.087   28.311 32283.79  3862.69 32283.79  3862.69 32283.79  3862.69  451.087   28.311  451.087   28.311 -0.000000 0.000000 
1 1 1    5   23    1 o  509.256   21.883 41160.91  3401.42 45819.64  4812.88 36512.02  4807.79  527.802   29.999  466.232   34.020 61.57034 45.35781 
1 1 1    5   23    2 o  286.466   11.312 12657.64  989.083 21824.55  1409.63  3767.75  1388.17  375.799   12.289  148.707   31.560 227.0919 33.86877 
1 1 1    5   23    3 o  181.856   9.7912  5101.95  541.473  5683.97  776.415  4550.83  755.530  191.112   13.395  170.564   14.655 20.54840 19.85435 
1 1 1    5   23    4 o  153.371   9.1395  3627.51  425.898  4342.96  617.464  2978.22  588.222  167.230   12.181  137.848   14.183 29.38126 18.69562 
1 1 1    5   23    5 o   82.093   9.9054  1051.61  243.182  1673.96  370.716  581.537  322.189  103.447   11.962   60.154   16.867 43.29335 20.67783 
1 1 1    5   23    6 o   42.779   15.416  240.843  257.297   0.0000   0.0000  240.843  257.297  ?   ?    42.779   15.416 0.000000 15.41597 
1 1 1    5   23    7 o  198.479   14.707  6153.57  884.605   0.0000   0.0000  6153.57  884.605  ?   ?   198.479   14.707 0.000000 14.70680 
1 1 1    5   23    8 o  197.216   15.138  6084.52  904.282   0.0000   0.0000  6084.52  904.282  ?   ?   197.216   15.138 0.000000 15.13809 
1 1 1    5   23    9 o   44.058   17.376  177.912  344.315   0.0000   0.0000  177.912  344.315  ?   ?    44.058   17.376 0.000000 17.37599 
1 1 1    5   23   10 o   54.296   13.826  474.659  229.745  636.131  374.721  377.402  290.818   62.997   18.362   50.100   16.452 12.89675 24.65431 
1 1 1    5   23   11 o  129.156   4.8551  2550.94  191.395  2602.62  205.133  2203.40  531.942  130.442   5.1523  118.104   15.102 12.33789 15.95704 
1 1 1    5   23   12 o  198.733   6.4909  6049.32  393.726  6049.32  393.726   0.0000   0.0000  198.733   6.4909  ?   ?  0.000000 6.490931 
1 1 1    5   23   13 o   35.000   8.4559  195.620   89.323  213.357   91.696 -133.7474  395.141   36.556   8.3951   38.066   16.929 -1.509663 18.89591 
1 1 1    5   23   14 o  109.925   4.8035  1847.79  161.166  1890.48  172.135  1544.46  458.818  111.175   5.0728   98.380   15.816 12.79478 16.60916 
1 1 1    5   23   15 o  265.427   9.9377 10844.33  805.101 11544.16  1395.04 10494.84  985.844  271.173   16.940  260.497   12.399 10.67667 20.99252 
1 1 1    5   23   16 o   95.856   9.0762  1424.72  262.385  1502.47  498.751  1394.96  308.531   96.536   17.574   94.511   10.895 2.025558 20.67741 
1 1 1    5   23   17 o  197.559   10.292  6027.65  618.441  6608.75  901.670  5511.44  849.844  205.739   14.450  187.639   14.963 18.10051 20.80166 
1 1 1    5   23   18 o  154.195   3.8996  3633.41  183.531  3189.31  259.621  4077.04  259.484  144.341   5.8930  163.252   5.2076 -18.91122 7.864212 
1 1 1    5   23   19 o  121.031   5.0229  2240.57  185.551  2240.57  185.551   0.0000   0.0000  121.031   5.0229  ?   ?  0.000000 5.022856 
1 1 1    5   23   20 o  135.538   5.2396  2810.49  216.758  2810.49  216.758   0.0000   0.0000  135.538   5.2396  ?   ?  0.000000 5.239601 
1 1 1    5   23   21 f  223.039   16.023  7807.56  1083.53  7807.56  1083.53   0.0000   0.0000  223.039   16.023  ?   ?  0.000000 16.02309 
1 1 1    5   23   22 o  216.972   10.989  7283.51  725.395  6760.31  1030.38  7797.62  1021.40  207.275   16.421  223.205   15.081 -15.92978 22.29556 
1 1 1    5   23   23 o  413.286   10.309 26331.42  1300.45 26623.28  1430.63 24943.06  3120.29  415.155   11.290  390.856   26.308 24.29858 28.62871 
1 1 1    5   23   24 o  135.827   3.5420  2818.98  146.842  2828.56  218.099  2811.04  198.598  135.957   5.2557  135.566   4.7996 0.3914337 7.117537 
1 1 1    5   23   25 o  278.814   5.5017 11899.71  468.194 13453.93  683.199 10523.47  642.890  296.064   7.5604  261.743   8.0472 34.32074 11.04161 
1 1 1    5   23   26 o  351.516   7.1109 18956.33  762.936 19072.10  1091.33 18845.68  1066.99  351.628   10.168  349.596   9.9995 2.032166 14.26138 
1 1 1    5   23   27 o  278.841   4.3605 11890.18  371.119 12854.80  474.737 10374.38  595.112  289.779   5.3675  259.941   7.5008 29.83716 9.223414 
1 1 1    5   23   28 o   79.297   3.0337  960.601   73.425  1050.29  103.731  870.537  103.946   82.881   4.1005   75.303   4.5438 7.577332 6.120447 
1 1 1    5   23   29 o   47.203   4.6046  344.107   65.496  413.853  170.032  331.955   70.973   50.730   11.274   46.289   5.1085 4.440659 12.37713 
1 1 1    5   23   30 o  105.690   5.1613  1710.29  166.497  1835.53  213.490  1515.86  266.002  109.206   6.4333   98.793   8.9176 10.41312 10.99594 
1 1 1    5   23   31 o  103.029   3.8832  1623.09  122.113  1624.00  136.927  1619.57  269.913  103.032   4.3541  102.153   8.7410 0.8787994 9.765394 
1 1 1    5   23   32 o  263.908   6.7026 10693.79  539.901 11154.72  601.718  8789.95  1222.90  269.378   7.3184  234.780   17.185 34.59833 18.67807 
1 1 1    5   23   33 o  162.971   13.570  4186.95  668.855   0.0000   0.0000  4186.95  668.855  ?   ?   162.971   13.570 0.000000 13.56967 
1 1 1    5   23   34 o   52.626   13.630  450.733  220.669  450.733  220.669   0.0000   0.0000   52.626   13.630  ?   ?  0.000000 13.62955 
1 1 1    5   23   35 o  313.592   9.4599 15228.52  905.455 15228.52  905.455   0.0000   0.0000  313.592   9.4599  ?   ?  0.000000 9.459857 
1 1 1    5   23   36 o   77.622   5.0262  927.434  118.440  1023.15  190.340  866.956  151.300   81.084   7.7867   74.782   6.6997 6.302330 10.27223 
1 1 1    5   23   37 o  125.791   2.9952  2418.99  115.000  2595.41  158.674  2223.79  166.908  130.210   3.9925  120.474   4.5391 9.735641 6.045092 
1 1 1    5   23   38 o   71.303   3.3118  777.691   72.075  712.559  206.188  786.758   76.928   66.825   10.451   71.707   3.5148 -4.882515 11.02658 
1 1 1    5   23   39 o  108.571   4.2727  1806.53  141.592   0.0000   0.0000  1806.53  141.592  ?   ?   108.571   4.2727 0.000000 4.272747 
1 1 1    5   23   40 o   51.533   13.253  438.986  209.637   0.0000   0.0000  438.986  209.637  ?   ?    51.533   13.253 0.000000 13.25328 
1 1 1    5   23   41 o   57.234   6.2235  511.077  106.967   0.0000   0.0000  511.077  106.967  ?   ?    57.234   6.2235 0.000000 6.223472 
1 1 1    5   23   42 o  111.712   8.8757  1961.56  300.140  2237.76  796.113  1915.80  324.052  110.045   24.347  110.066   9.7467 -0.2109528E-01 26.22547 
1 1 1    5   23   43 o   77.247   18.233  1044.44  422.988  901.713  743.840  1112.64  514.223   70.959   26.113   78.379   21.049 -7.420845 33.54053 
1 1 1    5   23   44 o  157.456   5.8153  3829.21  279.480  3913.99  952.533  3821.22  292.346  147.311   21.847  157.200   6.0930 -9.889191 22.68084 
1 1 1    5   24    0 o  714.744   45.647 84790.95  9864.99 84790.95  9864.99 84790.95  9864.99  714.744   45.647  714.744   45.647 -0.000000 0.000000 
1 1 1    5   24    1 o  178.282   14.049  4964.14  758.269   0.0000   0.0000  4964.14  758.269  ?   ?   178.282   14.049 0.000000 14.04855 
1 1 1    5   24    2 o  217.468   15.864  7414.28  1045.75   0.0000   0.0000  7414.28  1045.75  ?   ?   217.468   15.864 0.000000 15.86432 
1 1 1    5   24    3 o  219.929   16.018  7586.14  1067.89   0.0000   0.0000  7586.14  1067.89  ?   ?   219.929   16.018 0.000000 16.01847 
1 1 1    5   24    4 o  431.722   27.936 30507.13  3661.40   0.0000   0.0000 30507.13  3661.40  ?   ?   431.722   27.936 0.000000 27.93575 
1 1 1    5   24    5 o  191.896   14.678  5758.39  853.179   0.0000   0.0000  5758.39  853.179  ?   ?   191.896   14.678 0.000000 14.67784 
1 1 1    5   24    6 o  375.597   9.5841 21704.83  1098.73 21792.80  1208.24 21284.48  2641.17  376.044   10.527  363.666   23.928 12.37833 26.14137 
1 1 1    5   24    7 o  410.603   9.8885 25952.62  1239.28 26692.43  1363.31 22432.58  2973.77  416.095   10.735  371.312   26.411 44.78232 28.50956 
1 1 1    5   24    8 o  509.645   11.710 40121.82  1821.63 41730.64  2004.81 32505.58  4362.06  519.242   12.650  440.210   32.698 79.03168 35.06007 
1 1 1    5   24    9 o  318.073   9.2157 15556.60  894.688 15556.60  894.688   0.0000   0.0000  318.073   9.2157  ?   ?  0.000000 9.215691 
1 1 1    5   24   10 o  253.651   7.7003  9870.82  596.155  9870.82  596.155   0.0000   0.0000  253.651   7.7003  ?   ?  0.000000 7.700276 
1 1 1    5   24   11 o  185.362   10.570  5312.77  595.559  6363.34  862.111  4353.73  823.697  201.948   14.074  166.145   16.459 35.80312 21.65651 
1 1 1    5   24   12 o  152.510   11.106  3607.38  513.418  3987.41  701.653  3169.40  753.255  159.498   14.574  141.067   17.897 18.43126 23.08034 
1 1 1    5   24   13 o  293.597   19.912 13683.08  1773.86 13683.08  1773.86   0.0000   0.0000  293.597   19.912  ?   ?  0.000000 19.91245 
1 1 1    5   24   14 o  157.197   15.185  3883.73  719.491  3883.73  719.491   0.0000   0.0000  157.197   15.185  ?   ?  0.000000 15.18464 
1 1 1    5   24   15 o  104.051   5.4282  1661.22  171.796  1661.22  171.796   0.0000   0.0000  104.051   5.4282  ?   ?  0.000000 5.428212 
1 1 1    5   24   16 o  246.677   7.5576  9335.78  569.018  9335.78  569.018   0.0000   0.0000  246.677   7.5576  ?   ?  0.000000 7.557555 
1 1 1    5   24   17 o  127.642   5.5432  2493.62  215.958  2493.62  215.958   0.0000   0.0000  127.642   5.5432  ?   ?  0.000000 5.543206 
1 1 1    5   24   18 o   78.587   18.999  1012.48  450.700  1012.48  450.700   0.0000   0.0000   78.587   18.999  ?   ?  0.000000 18.99917 
1 1 1    5   24   19 o   29.942   12.415   36.685  186.005 -28.4366  327.139   67.796  226.112   36.792   15.902   33.838   13.822 2.954403 21.06972 
1 1 1    5   24   20 o  123.070   3.5053  2314.34  131.671  2692.72  187.960  1949.72  184.510  132.689   4.6410  112.868   5.3559 19.82097 7.086946 
1 1 1    5   24   21 f   61.858   4.6121  588.463   86.453  617.939   90.073  243.758  308.024   63.389   4.6888   44.813   16.744 18.57602 17.38767 
1 1 1    5   24   22 o   97.759   13.428  1512.11  390.096   0.0000   0.0000  1512.11  390.096  ?   ?    97.759   13.428 0.000000 13.42828 
1 1 1    5   24   23 o  186.107   14.331  5432.96  807.823   0.0000   0.0000  5432.96  807.823  ?   ?   186.107   14.331 0.000000 14.33142 
1 1 1    5   24   24 o  159.294   5.1231  3883.82  249.089   0.0000   0.0000  3883.82  249.089  ?   ?   159.294   5.1231 0.000000 5.123150 
1 1 1    5   24   25 o  176.295   4.0242  4752.06  216.537  4771.94  321.882  4735.64  292.659  176.464   5.9762  175.853   5.4525 0.6116791 8.089765 
1 1 1    5   24   26 o  150.933   3.1144  3480.68  143.473  3804.91  191.602  3066.81  216.471  157.748   3.9794  141.545   5.0106 16.20340 6.398554 
1 1 1    5   24   27 o   25.985   10.104   65.345  115.040   68.564  163.045   62.154  162.340   29.671   11.874   29.319   11.808 0.3517647 16.74594 
1 1 1    5   24   28 o   61.007   4.4151  572.405   81.657  555.975   89.667  652.247  197.660   60.061   4.9349   64.123   10.460 -4.061661 11.56558 
1 1 1    5   24   29 o   48.759   4.8386  367.546   71.059  374.075   77.560  333.418  177.318   49.139   5.2526   45.521   12.418 3.618515 13.48307 
1 1 1    5   24   30 o  142.946   7.0495  3140.94  307.571  3215.54  509.677  3098.20  385.722  143.269   11.759  141.379   8.9853 1.889908 14.79906 
1 1 1    5   24   31 o   47.757   8.9743  363.526  126.010  303.582  186.109  414.269  171.231   43.705   12.995   50.633   11.359 -6.928383 17.26023 
1 1 1    5   24   32 o  110.196   3.6540  1857.25  122.899  1804.78  167.475  1918.46  180.914  108.520   5.0562  111.863   5.2987 -3.342636 7.324004 
1 1 1    5   24   33 o  185.934   5.1443  5300.52  291.945  5438.31  335.133  4866.90  594.533  188.211   5.8339  176.356   11.102 11.85469 12.54121 
1 1 1    5   24   34 o  109.685   3.3959  1840.05  113.688  2129.66  263.873  1774.03  125.981  117.297   7.4084  107.668   3.8336 9.629692 8.341534 
1 1 1    5   24   35 o  197.354   6.4967  5995.31  391.345  6148.01  423.838  5112.47  1019.13  199.728   6.9526  175.630   19.332 24.09756 20.54377 
1 1 1    5   24   36 o  157.715   6.1526  3828.07  296.175   0.0000   0.0000  3828.07  296.175  ?   ?   157.715   6.1526 0.000000 6.152613 
1 1 1    5   24   37 o   93.820   10.343  1393.61  291.249   0.0000   0.0000  1393.61  291.249  ?   ?    93.820   10.343 0.000000 10.34253 
1 1 1    5   24   38 o  112.242   9.8183  1985.87  332.982   0.0000   0.0000  1985.87  332.982  ?   ?   112.242   9.8183 0.000000 9.818350 
1 1 1    5   24   39 o   26.484   5.7916  112.236   45.513   83.814  183.952  114.090   46.974   31.360   12.591   26.692   5.9207 4.668324 13.91329 
1 1 1    5   24   40 o   23.081   9.8843  -0.1460  124.184 -84.5945  177.592   80.658  173.718   24.539   11.094   30.528   12.243 -5.988102 16.52188 
1 1 1    5   24   42 o   66.781   6.5987  697.815  132.743  723.490  737.583  696.956  134.946   65.705   25.573   66.710   6.7190 -1.004799 26.44114 
1 1 1    5   25    1 o  279.909   18.895 12402.83  1604.81 12402.83  1604.81   0.0000   0.0000  279.909   18.895  ?   ?  0.000000 18.89464 
1 1 1    5   25    2 o  396.338   25.769 25535.61  3100.34 25535.61  3100.34   0.0000   0.0000  396.338   25.769  ?   ?  0.000000 25.76865 
1 1 1    5   25    3 o  349.207   9.9657 18782.07  1062.21 18782.07  1062.21   0.0000   0.0000  349.207   9.9657  ?   ?  0.000000 9.965720 
1 1 1    5   25    4 o  251.837   7.6161  9731.18  585.420  9731.18  585.420   0.0000   0.0000  251.837   7.6161  ?   ?  0.000000 7.616085 
1 1 1    5   25    5 o  184.603   6.2487  5219.71  352.085  5219.71  352.085   0.0000   0.0000  184.603   6.2487  ?   ?  0.000000 6.248711 
1 1 1    5   25    6 o   43.358   7.6389  296.885   97.400  324.417  101.589 -16.4616  342.718   45.378   7.6037   38.009   16.353 7.369041 18.03391 
1 1 1    5   25    7 o  182.827   10.486  5170.38  582.688  5303.42  843.699  5049.05  805.703  183.848   15.171  179.462   14.842 4.386108 21.22367 
1 1 1    5   25    8 o  206.987   10.785  6627.91  679.035  8362.34  978.627  5017.58  942.966  231.572   13.910  177.939   17.593 53.63353 22.42764 
1 1 1    5   25    9 o  156.302   10.388  3782.81  492.740  4616.00  715.590  3031.56  679.489  171.849   13.758  138.280   16.420 33.56952 21.42210 
1 1 1    5   25   10 o  218.502   11.475  7397.98  762.626  8531.44  1086.07  6295.50  1071.12  233.344   15.334  199.374   17.788 33.96935 23.48561 
1 1 1    5   25   11 o  306.836   20.774 15029.25  1934.10 15029.25  1934.10   0.0000   0.0000  306.836   20.774  ?   ?  0.000000 20.77411 
1 1 1    5   25   12 o  378.942   16.632 22509.88  1923.65 25480.67  2727.58 19569.92  2713.38  398.263   22.531  346.124   25.871 52.13950 34.30660 
1 1 1    5   25   13 o  128.188   4.8468  2513.60  189.637  2626.62  202.862  1730.55  533.971  131.024   5.0726  103.623   17.507 27.40080 18.22660 
1 1 1    5   25   14 o  128.842   4.5498  2538.67  178.924  2692.60  195.547  1747.00  443.456  132.673   4.8289  105.038   14.196 27.63507 14.99462 
1 1 1    5   25   15 o   35.382   13.806  121.126  215.371  106.625  428.220  126.036  249.180   45.541   18.856   37.434   14.776 8.106941 23.95586 
1 1 1    5   25   16 o  223.396   11.063  7713.51  754.318  8488.17  1099.64  7025.02  1036.68  232.423   15.591  211.103   16.213 21.32018 22.49319 
1 1 1    5   25   17 o  209.724   10.835  6813.89  691.187  7413.77  1017.37  6299.65  941.950  217.155   15.450  200.054   15.549 17.10086 21.91956 
1 1 1    5   25   18 o  151.175   5.2607  3498.29  242.739  3514.70  266.348  3417.83  589.730  151.484   5.7606  147.694   13.222 3.789841 14.42228 
1 1 1    5   25   19 o   28.718   12.469 -28.3313  202.956   0.0000   0.0000 -28.3313  202.956  ?   ?    28.718   12.469 0.000000 12.46879 
1 1 1    5   25   20 o  164.512   13.527  4243.59  673.195   0.0000   0.0000  4243.59  673.195  ?   ?   164.512   13.527 0.000000 13.52667 
1 1 1    5   25   22 o  109.430   4.9446  1832.97  165.151  1832.97  165.151   0.0000   0.0000  109.430   4.9446  ?   ?  0.000000 4.944571 
1 1 1    5   25   23 o   52.849   3.5679  428.872   57.216  490.551   86.339  380.575   76.400   56.378   5.0717   49.594   5.1209 6.784233 7.207356 
1 1 1    5   25   24 o   47.433   3.6403  345.967   52.300  489.658   80.033  238.874   69.093   56.369   4.6944   39.026   5.9921 17.34306 7.612009 
1 1 1    5   25   25 o  312.521   11.565 15179.12  1103.18 16301.88  1917.34 14623.49  1348.81  317.818   19.865  305.191   14.480 12.62708 24.58216 
1 1 1    5   25   26 o   88.792   3.8658  1205.76  104.769  1343.27  118.498  713.349  224.236   93.703   4.1433   66.866   11.396 26.83684 12.12547 
1 1 1    5   25   27 o  144.343   4.3870  3188.87  193.279  3312.22  224.579  2836.52  379.550  147.044   5.0038  135.158   9.2562 11.88634 10.52216 
1 1 1    5   25   28 o  293.231   9.5423 13312.06  854.040 14038.49  1256.71 12688.65  1164.18  298.823   13.779  284.310   13.416 14.51291 19.23089 
1 1 1    5   25   29 o  244.766   5.4413  9188.46  406.513  9887.44  475.227  7282.00  784.842  253.734   6.1363  215.549   11.977 38.18565 13.45712 
1 1 1    5   25   30 o  262.319   6.7366 10586.56  539.372 10428.29  632.950 11006.28  1030.73  259.930   7.9780  264.728   12.756 -4.798126 15.04580 
1 1 1    5   25   31 o   32.250   13.019   78.665  197.841  214.987  927.419   72.166  202.503   63.180   27.033   32.264   13.119 30.91576 30.04798 
1 1 1    5   25   32 o   91.903   3.5294  1292.27   99.002  1325.73  364.960  1289.61  102.859   90.607   13.618   91.798   3.6711 -1.191689 14.10412 
1 1 1    5   25   33 o   21.023   7.6733   55.589   64.041   57.496   67.727   39.492  196.797   21.500   7.8844   30.499   12.718 -8.999523 14.96367 
1 1 1    5   25   34 o   40.285   10.221  263.544  125.881   0.0000   0.0000  263.544  125.881  ?   ?    40.285   10.221 0.000000 10.22114 
1 1 1    5   25   35 o   94.885   24.048  1636.36  697.362   0.0000   0.0000  1636.36  697.362  ?   ?    94.885   24.048 0.000000 24.04837 
1 1 1    5   25   36 o   58.289   21.531  521.229  506.470  627.812  878.064  468.089  620.003   67.397   27.349   59.074   23.311 8.322517 35.93592 
1 1 1    5   25   37 o   77.901   6.6815  945.456  157.330  1215.92  867.984  936.268  159.980   79.916   28.366   77.482   6.8347 2.434158 29.17733 
1 1 1    5   25   38 o   36.132   13.305  176.078  193.154  176.078  193.154   0.0000   0.0000   36.132   13.305  ?   ?  0.000000 13.30514 
1 1 1    5   25   40 o  114.783   5.7872  2041.22  202.098   0.0000   0.0000  2041.22  202.098  ?   ?   114.783   5.7872 0.000000 5.787177 
1 1 1    5   26    0 o  451.570   28.595 32528.45  3905.00 32528.45  3905.00 32528.45  3905.00  451.570   28.595  451.570   28.595 -0.000000 0.000000 
1 1 1    5   26    1 o  391.294   17.348 24090.53  2071.93 26544.88  2932.52 21644.11  2927.78  404.801   23.840  362.826   26.624 41.97491 35.73727 
1 1 1    5   26    2 f  385.396   16.511 23304.46  1942.18 26584.05  2757.33 20075.19  2736.10  406.548   22.306  350.133   25.784 56.41556 34.09351 
1 1 1    5   26    3 o  320.200   7.9922 15750.28  781.093 16164.60  858.614 13761.62  1881.08  324.194   8.6771  292.915   21.183 31.27936 22.89131 
1 1 1    5   26    4 o  390.988   9.3264 23540.62  1113.00 24340.33  1224.30 19732.52  2671.62  397.268   10.097  347.422   25.370 49.84677 27.30503 
1 1 1    5   26    5 o  193.306   9.2945  5754.03  548.390  9595.53  818.224  2621.20  738.909  249.251   10.755  127.211   19.665 122.0399 22.41377 
1 1 1    5   26    6 o  293.691   13.561 13417.52  1215.59 13873.29  1734.14 12977.22  1704.45  295.200   19.354  285.259   19.697 9.941162 27.61391 
1 1 1    5   26    7 o  359.817   23.840 21019.45  2603.38 21019.45  2603.38   0.0000   0.0000  359.817   23.840  ?   ?  0.000000 23.83999 
1 1 1    5   26    8 o  205.794   16.367  6685.99  1019.57  6685.99  1019.57   0.0000   0.0000  205.794   16.367  ?   ?  0.000000 16.36702 
1 1 1    5   26    9 o  273.628   13.341 11645.75  1114.17 11697.24  1556.53 11591.66  1595.53  271.077   18.931  269.492   19.530 1.585052 27.19957 
1 1 1    5   26   10 o  250.615   12.979  9786.10  989.436 11532.39  1382.92  7954.70  1416.22  270.262   16.849  222.092   21.147 48.17020 27.03862 
1 1 1    5   26   11 o  186.666   6.3588  5341.40  362.290  5341.40  362.290   0.0000   0.0000  186.666   6.3588  ?   ?  0.000000 6.358794 
1 1 1    5   26   12 o  203.120   6.2200  6323.81  385.621  6257.31  418.232  6701.05  996.115  201.967   6.7845  206.050   15.963 -4.083496 17.34522 
1 1 1    5   26   13 o   45.482   16.428  276.362  292.444  129.844  456.527  378.327  380.842   47.282   19.514   52.355   18.767 -5.073139 27.07417 
1 1 1    5   26   14 o  167.641   9.7342  4350.34  495.932  5244.74  748.564  3650.67  662.079  182.984   13.498  152.200   14.424 30.78415 19.75503 
1 1 1    5   26   15 o  137.402   9.7623  2928.02  406.751  3189.65  635.967  2746.91  529.124  141.992   14.896  132.155   13.298 9.837891 19.96839 
1 1 1    5   26   16 o  195.752   14.842  6036.08  880.205   0.0000   0.0000  6036.08  880.205  ?   ?   195.752   14.842 0.000000 14.84242 
1 1 1    5   26   17 f   72.152   14.815  844.177  315.344   0.0000   0.0000  844.177  315.344  ?   ?    72.152   14.815 0.000000 14.81525 
1 1 1    5   26   18 o  304.200   20.456 14935.84  1888.31   0.0000   0.0000 14935.84  1888.31  ?   ?   304.200   20.456 0.000000 20.45638 
1 1 1    5   26   19 o  138.094   12.908  2998.42  537.760   0.0000   0.0000  2998.42  537.760  ?   ?   138.094   12.908 0.000000 12.90810 
1 1 1    5   26   20 o  138.937   12.873  3036.40  539.682   0.0000   0.0000  3036.40  539.682  ?   ?   138.937   12.873 0.000000 12.87253 
1 1 1    5   26   21 o   88.196   10.646  1222.66  280.789   0.0000   0.0000  1222.66  280.789  ?   ?    88.196   10.646 0.000000 10.64608 
1 1 1    5   26   22 o   91.985   4.4459  1295.04  124.823   0.0000   0.0000  1295.04  124.823  ?   ?    91.985   4.4459 0.000000 4.445911 
1 1 1    5   26   23 o  125.793   5.0409  2424.30  193.546   0.0000   0.0000  2424.30  193.546  ?   ?   125.793   5.0409 0.000000 5.040925 
1 1 1    5   26   24 o  250.985   5.3376  9657.41  408.894  9963.83  579.429  9353.45  577.104  254.385   7.4626  246.407   7.6733 7.977310 10.70378 
1 1 1    5   26   25 o   77.029   4.2834  911.096  100.310  943.772  110.718  761.407  236.973   78.361   4.6500   68.962   11.675 9.398743 12.56683 
1 1 1    5   26   26 o  152.386   7.6829  3589.70  356.197  3845.05  617.027  3462.07  436.224  155.883   13.090  149.100   9.6370 6.782715 16.25454 
1 1 1    5   26   27 o  156.531   5.4500  3760.10  260.386  3867.60  293.837  3366.96  561.927  158.648   6.0681  145.824   12.753 12.82454 14.12340 
1 1 1    5   26   28 o   50.782   4.8596  398.983   74.404  402.115   78.129  368.458  243.891   50.950   5.0922   48.065   14.995 2.884960 15.83632 
1 1 1    5   26   29 o  106.836   4.9167  1750.85  160.327  1750.85  160.327   0.0000   0.0000  106.836   4.9167  ?   ?  0.000000 4.916677 
1 1 1    5   26   30 o   94.631   9.1791  1405.18  261.790  1535.74  383.235  1290.96  358.458   97.614   13.201   89.225   13.592 8.389786 18.94776 
1 1 1    5   26   31 o  194.661   5.4459  5825.18  323.566  5838.00  373.596  5786.70  647.268  194.639   6.2886  191.532   11.120 3.107117 12.77487 
1 1 1    5   26   32 o   58.662   13.718  571.802  241.229   0.0000   0.0000  571.802  241.229  ?   ?    58.662   13.718 0.000000 13.71769 
1 1 1    5   26   33 o   71.254   7.8272  797.374  167.424  873.038  225.956  705.261  249.310   73.875   10.301   65.411   12.946 8.463623 16.54407 
1 1 1    5   26   34 o   38.570   8.6348  241.056   99.121  246.679  213.465  239.510  111.918   40.559   14.092   38.340   9.5886 2.218853 17.04522 
1 1 1    5   26   35 o   82.929   10.970  1107.70  270.845  1420.69  924.380  1078.31  283.277   84.121   29.320   81.508   11.724 2.612808 31.57737 
1 1 1    5   26   36 o  132.803   10.482  2811.30  421.417   0.0000   0.0000  2811.30  421.417  ?   ?   132.803   10.482 0.000000 10.48172 
1 1 1    5   26   37 o  100.253   6.5293  1564.74  198.702   0.0000   0.0000  1564.74  198.702  ?   ?   100.253   6.5293 0.000000 6.529255 
1 1 1    5   27    0 o   74.564   23.133  1077.28  461.083  1077.28  461.083  1077.28  461.083   74.564   23.133   74.564   23.133 -0.000000 0.000000 
1 1 1    5   27    1 o  164.994   10.464  4225.18  524.250  4252.74  744.612  4198.09  738.233  164.097   15.034  163.042   15.003 1.054779 21.23914 
1 1 1    5   27    2 o   99.387   11.823  1553.11  351.611  1733.90  504.632  1382.52  490.188  103.762   16.485   91.939   18.112 11.82274 24.49126 
1 1 1    5   27    3 o   95.969   5.2426  1414.36  152.983  1404.77  161.145  1501.86  486.874   95.606   5.5460   96.192   17.215 -0.5859528 18.08628 
1 1 1    5   27    4 o  110.505   11.468  1912.50  381.177  1134.41  538.613  2693.22  539.521   82.461   21.263  130.694   13.730 -48.23322 25.31064 
1 1 1    5   27    5 o  178.163   10.722  4928.93  580.325  3087.84  816.763  6805.97  824.700  137.707   20.018  208.659   13.014 -70.95158 23.87689 
1 1 1    5   27    6 o  334.414   15.322 17558.75  1563.89 17194.95  2213.16 17921.56  2210.19  325.136   22.439  332.438   21.905 -7.302246 31.35800 
1 1 1    5   27    7 o  232.490   11.743  8410.03  830.574 10809.45  1183.05  6077.86  1166.35  262.197   14.844  193.947   19.989 68.25026 24.89797 
1 1 1    5   27    8 o  108.414   10.126  1831.96  331.191  1646.35  548.738  1938.31  415.377  100.291   18.611  110.963   12.481 -10.67225 22.40894 
1 1 1    5   27    9 o  189.731   9.2167  5552.96  533.740  4804.52  894.572  5966.65  665.090  173.487   17.117  195.880   11.171 -22.39284 20.43959 
1 1 1    5   27   10 o  337.267   8.4010 17517.32  864.808 18058.99  949.747 14888.90  2092.13  342.177   9.0937  301.629   22.896 40.54800 24.63532 
1 1 1    5   27   11 o   99.123   4.8094  1504.00  145.506  1632.18  157.928  784.053  374.290  103.247   5.0115   68.985   17.691 34.26144 18.38741 
1 1 1    5   27   12 o   35.070   15.767 -151.5392  352.924   0.0000   0.0000 -151.5392  352.924  ?   ?    35.070   15.767 0.000000 15.76739 
1 1 1    5   27   13 o   77.726   14.249  974.849  325.586   0.0000   0.0000  974.849  325.586  ?   ?    77.726   14.249 0.000000 14.24911 
1 1 1    5   27   14 o   89.520   13.615  1280.63  360.279   0.0000   0.0000  1280.63  360.279  ?   ?    89.520   13.615 0.000000 13.61473 
1 1 1    5   27   15 o  138.456   13.042  3020.99  544.646   0.0000   0.0000  3020.99  544.646  ?   ?   138.456   13.042 0.000000 13.04165 
1 1 1    5   27   16 o   95.806   4.9731  1409.62  144.924  1429.56  158.017  1304.04  363.616   96.430   5.3903   90.295   13.617 6.135483 14.64489 
1 1 1    5   27   17 o  150.683   9.8108  3529.69  448.756  3742.22  691.084  3374.74  590.089  153.368   14.953  146.181   13.374 7.187332 20.06126 
1 1 1    5   27   18 o  117.022   9.7261  2134.66  344.249  2579.37  569.395  1878.45  432.181  127.019   14.975  108.713   13.302 18.30586 20.02968 
1 1 1    5   27   19 o  256.780   6.3959 10129.18  501.283 10565.80  551.297  8045.12  1204.46  262.118   6.8908  223.337   17.817 38.78032 19.10344 
1 1 1    5   27   20 o  193.327   5.9752  5738.13  352.583  5649.29  386.378  6180.38  862.054  191.699   6.6035  197.356   14.410 -5.657745 15.85147 
1 1 1    5   27   21 o   64.088   11.677  660.370  220.005  793.036  370.693  588.228  273.354   68.957   17.564   59.781   15.004 9.176380 23.10034 
1 1 1    5   27   22 o  177.622   9.9818  4917.14  538.961  5078.07  786.380  4774.58  740.131  178.458   14.564  173.234   14.121 5.224136 20.28554 
1 1 1    5   27   23 o   71.129   3.4508  773.869   74.918  804.818  117.125  752.438   97.464   72.226   5.3510   69.927   4.5920 2.299812 7.051254 
1 1 1    5   27   24 o   94.566   3.4325  1368.01   99.075  1385.92  147.268  1353.20  133.911   94.911   5.1023   93.957   4.6695 0.9537125 6.916492 
1 1 1    5   27   25 f  152.741   14.466  3748.20  666.377  3748.20  666.377   0.0000   0.0000  152.741   14.466  ?   ?  0.000000 14.46621 
1 1 1    5   27   26 o  112.168   4.9477  1930.81  169.392  1930.81  169.392   0.0000   0.0000  112.168   4.9477  ?   ?  0.000000 4.947734 
1 1 1    5   27   27 o   56.693   5.1284  497.603   87.781  497.603   87.781   0.0000   0.0000   56.693   5.1284  ?   ?  0.000000 5.128391 
1 1 1    5   27   28 o  182.629   10.132  5240.84  562.557  4874.34  792.988  5612.17  798.188  173.064   15.165  186.530   14.125 -13.46521 20.72395 
1 1 1    5   27   29 o  180.198   11.500  5156.35  629.185  6386.81  1187.80  4676.44  741.806  192.899   20.488  169.669   14.462 23.23080 25.07803 
1 1 1    5   27   30 o  121.208   11.555  2349.55  422.295  2558.43  985.117  2302.52  467.420  114.616   28.323  119.240   13.056 -4.624138 31.18771 
1 1 1    5   27   31 o   77.426   6.2454  931.996  146.336  873.213  905.785  933.571  148.284   71.894   28.237   77.473   6.3260 -5.578758 28.93737 
1 1 1    5   27   32 o   90.122   11.330  1310.70  304.767   0.0000   0.0000  1310.70  304.767  ?   ?    90.122   11.330 0.000000 11.32984 
1 1 1    5   27   33 f   49.291   14.182  408.546  224.846   0.0000   0.0000  408.546  224.846  ?   ?    49.291   14.182 0.000000 14.18237 
1 1 1    5   27   34 o   94.750   5.1055  1387.58  147.106  1389.60  247.080  1386.48  183.094   93.696   8.7406   94.376   6.3939 -0.6795578 10.82962 
1 1 1    5   28    0 o   51.006   23.992  597.442  420.208  597.442  420.208  597.442  420.208   51.006   23.992   51.006   23.992 0.000000 0.000000 
1 1 1    5   28    1 o   86.144   12.886  1183.10  328.393  933.993  464.224  1432.63  464.610   74.781   19.964   93.717   16.863 -18.93578 26.13276 
1 1 1    5   28    2 o   69.733   15.015  793.652  310.124  388.116  439.979  1194.08  437.198   54.112   20.052   85.210   17.399 -31.09796 26.54783 
1 1 1    5   28    3 o  209.660   6.3478  6747.67  406.217  6609.08  442.421  7492.01  1025.30  207.367   6.9900  217.277   15.564 -9.909912 17.06116 
1 1 1    5   28    4 o  150.928   10.515  3548.80  481.379  3942.58  685.837  3166.45  675.818  157.760   14.402  140.621   16.032 17.13940 21.55119 
1 1 1    5   28    5 o  132.324   11.281  2740.82  451.270  2739.93  613.312  2741.89  666.368  130.816   15.673  130.264   17.179 0.5511627 23.25394 
1 1 1    5   28    6 o  173.268   10.985  4681.55  577.945  4527.79  795.955  4853.02  840.541  168.558   15.650  174.401   15.968 -5.843170 22.35792 
1 1 1    5   28    7 o  136.644   11.294  2922.76  466.823  3321.48  636.253  2457.83  687.043  144.554   14.622  122.419   19.003 22.13484 23.97756 
1 1 1    5   28    8 o  237.884   12.133  8851.33  878.037   0.0000   0.0000  8851.33  878.037  ?   ?   237.884   12.133 0.000000 12.13322 
1 1 1    5   28    9 o  117.902   11.875  2188.09  421.533   0.0000   0.0000  2188.09  421.533  ?   ?   117.902   11.875 0.000000 11.87532 
1 1 1    5   28   11 o   55.440   20.428  420.723  455.414   0.0000   0.0000  420.723  455.414  ?   ?    55.440   20.428 0.000000 20.42790 
1 1 1    5   28   12 o  134.860   10.491  2841.79  428.429  3074.60  638.156  2650.75  578.070  138.536   15.350  128.664   15.002 9.871353 21.46326 
1 1 1    5   28   13 o  109.601   9.8795  1877.65  326.945  2143.79  539.872  1723.51  410.853  115.207   15.767  103.985   13.246 11.22158 20.59217 
1 1 1    5   28   14 o  153.105   4.5441  3590.13  212.350  3844.93  246.096  2847.47  420.150  158.373   5.0910  135.000   10.274 23.37251 11.46590 
1 1 1    5   28   15 o   42.492   14.173  272.578  215.504  197.096  415.810  300.298  251.988   46.965   18.904   44.919   15.324 2.045246 24.33456 
1 1 1    5   28   16 o   63.144   11.074  639.178  205.644  844.610  435.729  580.307  233.257   70.775   19.532   59.622   13.169 11.15354 23.55698 
1 1 1    5   28   17 o   51.185   13.821  428.352  220.982  616.262  427.887  360.002  258.060   61.589   19.941   47.929   15.483 13.65954 25.24602 
1 1 1    5   28   18 o  149.363   4.7583  3419.89  216.925  3589.24  238.170  2595.62  525.443  152.965   5.1012  127.410   13.728 25.55539 14.64548 
1 1 1    5   28   19 o  164.610   5.2299  4158.50  262.762  4239.62  288.654  3766.22  634.772  166.121   5.6929  153.623   13.681 12.49821 14.81807 
1 1 1    5   28   20 o   58.534   19.297  553.611  399.948  553.611  399.948   0.0000   0.0000   58.534   19.297  ?   ?  0.000000 19.29704 
1 1 1    5   28   21 o   95.173   5.0290  1394.05  145.568  1394.05  145.568   0.0000   0.0000   95.173   5.0290  ?   ?  0.000000 5.028985 
1 1 1    5   28   22 o   87.600   5.0597  1182.09  134.708  1182.09  134.708   0.0000   0.0000   87.600   5.0597  ?   ?  0.000000 5.059719 
1 1 1    5   28   23 f   48.554   17.487  344.108  331.018  344.108  331.018   0.0000   0.0000   48.554   17.487  ?   ?  0.000000 17.48678 
1 1 1    5   28   24 o   48.203   17.541  335.666  334.305  335.666  334.305   0.0000   0.0000   48.203   17.541  ?   ?  0.000000 17.54121 
1 1 1    5   28   25 o  114.171   17.177  2189.89  580.037   0.0000   0.0000  2189.89  580.037  ?   ?   114.171   17.177 0.000000 17.17705 
1 1 1    5   28   26 o  102.919   4.7403  1627.42  148.908  1664.54  155.409  1211.29  520.303  104.063   4.8928   82.448   20.705 21.61513 21.27484 
1 1 1    5   28   28 o  105.297   8.6518  1745.43  275.604  1745.43  275.604   0.0000   0.0000  105.297   8.6518  ?   ?  0.000000 8.651836 
1 1 1    5   28   30 o  186.173   6.5724  5375.34  373.473  5354.59  417.119  5459.19  838.629  185.433   7.3698  180.840   15.338 4.593460 17.01681 
1 1 1    5   28   31 f   53.011   10.876  463.403  170.073  544.054  213.427  323.096  281.504   56.952   12.611   45.549   16.155 11.40231 20.49454 
1 1 1    5   29    0 o  128.032   15.436  2646.65  579.965  2646.65  579.965  2646.65  579.965  128.032   15.436  128.032   15.436 0.000000 0.000000 
1 1 1    5   29    1 o  182.878   10.680  5225.87  593.528  4990.01  840.004  5461.02  838.749  176.290   15.778  184.912   14.990 -8.622086 21.76354 
1 1 1    5   29    2 o  118.314   10.756  2197.83  384.185  1962.88  545.634  2428.84  541.034  109.549   16.859  122.998   14.703 -13.44847 22.36958 
1 1 1    5   29    3 o  259.012   18.911 10951.71  1484.68   0.0000   0.0000 10951.71  1484.68  ?   ?   259.012   18.911 0.000000 18.91069 
1 1 1    5   29    4 o   93.260   17.595  1441.33  482.470   0.0000   0.0000  1441.33  482.470  ?   ?    93.260   17.595 0.000000 17.59463 
1 1 1    5   29    5 o  253.444   18.339 10457.40  1409.05   0.0000   0.0000 10457.40  1409.05  ?   ?   253.444   18.339 0.000000 18.33874 
1 1 1    5   29    6 o  112.642   16.087  2064.48  537.373   0.0000   0.0000  2064.48  537.373  ?   ?   112.642   16.087 0.000000 16.08689 
1 1 1    5   29    7 o  236.408   11.806  8755.48  851.878   0.0000   0.0000  8755.48  851.878  ?   ?   236.408   11.806 0.000000 11.80585 
1 1 1    5   29    8 o  192.732   10.902  5816.17  638.694  6034.72  875.480  5567.51  933.843  194.244   14.880  185.455   16.676 8.789581 22.34929 
1 1 1    5   29    9 o   49.712   7.6610  390.075  112.507  390.075  112.507   0.0000   0.0000   49.712   7.6610  ?   ?  0.000000 7.660974 
1 1 1    5   29   10 o  175.716   11.155  4847.72  595.183  4709.62  814.214  5006.18  872.208  170.822   15.795  175.758   16.450 -4.935852 22.80550 
1 1 1    5   29   11 f   77.055   11.360  948.332  259.167  777.371  472.814  1021.76  309.864   67.875   20.830   79.451   13.244 -11.57617 24.68381 
1 1 1    5   29   12 f  270.548   12.894 11562.75  1064.77 13175.48  1518.29 10001.99  1493.63  284.250   17.586  245.103   20.144 39.14716 26.74032 
1 1 1    5   29   13 o  202.930   6.6762  6345.49  413.518  6345.49  413.518   0.0000   0.0000  202.930   6.6762  ?   ?  0.000000 6.676228 
1 1 1    5   29   14 o  194.542   5.6778  5817.60  337.140  6047.27  365.804  4522.05  868.818  198.250   6.0453  165.863   17.422 32.38751 18.44113 
1 1 1    5   29   15 o  108.536   11.268  1868.61  367.839  2058.85  517.358  1674.13  523.094  112.178   15.526   99.934   17.802 12.24465 23.62162 
1 1 1    5   29   18 o   63.577   19.809  689.020  425.747  689.020  425.747   0.0000   0.0000   63.577   19.809  ?   ?  0.000000 19.80850 
1 1 1    5   29   19 o   64.836   19.966  724.193  433.976  724.193  433.976   0.0000   0.0000   64.836   19.966  ?   ?  0.000000 19.96595 
1 1 1    5   29   20 o   71.069   5.9239  783.796  127.329  783.796  127.329   0.0000   0.0000   71.069   5.9239  ?   ?  0.000000 5.923924 
1 1 1    5   29   21 o   78.699   5.0027  956.092  119.545  956.092  119.545   0.0000   0.0000   78.699   5.0027  ?   ?  0.000000 5.002697 
1 1 1    5   29   22 o  114.769   14.139  2162.60  484.826  2162.60  484.826   0.0000   0.0000  114.769   14.139  ?   ?  0.000000 14.13924 
1 1 1    5   29   23 o  145.759   14.251  3486.48  625.921  3486.48  625.921   0.0000   0.0000  145.759   14.251  ?   ?  0.000000 14.25143 
1 1 1    5   29   27 o   80.707   20.440  1198.94  504.042   0.0000   0.0000  1198.94  504.042  ?   ?    80.707   20.440 0.000000 20.43976 
1 1 1    5   30    4 o  291.177   7.9699 13138.64  708.319 13007.12  776.829 13787.19  1725.02  289.236   8.7995  286.691   19.835 2.544678 21.69957 
1 1 1    5   30    5 o  157.855   10.360  3918.24  496.367  4813.01  708.517  3055.79  695.598  173.300   13.501  135.847   17.159 37.45305 21.83373 
1 1 1    5   30    6 o  195.496   16.029  6238.19  948.065  6238.19  948.065   0.0000   0.0000  195.496   16.029  ?   ?  0.000000 16.02948 
1 1 1    5   30    7 o  240.096   18.007  9557.62  1309.98  9557.62  1309.98   0.0000   0.0000  240.096   18.007  ?   ?  0.000000 18.00681 
1 1 1    5   30    8 o   93.708   5.4017  1354.56  153.843  1354.56  153.843   0.0000   0.0000   93.708   5.4017  ?   ?  0.000000 5.401675 
1 1 1    5   30    9 o  206.008   5.9852  6537.73  376.336  6666.98  410.151  5849.40  946.493  207.872   6.4644  188.473   16.624 19.39949 17.83622 
1 1 1    5   30   10 o   60.021   15.432  606.347  284.296  629.002  424.585  587.934  382.769   61.140   19.869   59.198   18.828 1.941711 27.37338 
1 1 1    5   30   11 o   44.539   15.634  296.526  263.026  277.964  402.215  310.395  347.669   48.126   18.842   47.551   17.784 0.5751762 25.90938 
1 1 1    5   30   12 o   53.086   6.9403  443.031  109.761  443.031  109.761   0.0000   0.0000   53.086   6.9403  ?   ?  0.000000 6.940320 
1 1 1    5   30   13 o   90.492   17.626  1398.62  469.328   0.0000   0.0000  1398.62  469.328  ?   ?    90.492   17.626 0.000000 17.62594 
1 1 1    5   30   14 o   80.434   13.297  1062.78  315.031  1070.23  447.866  1055.49  443.212   78.203   18.960   77.691   18.877 0.5114136 26.75444 
1 1 1    5   30   15 o   32.591   14.122  -7.1480  259.305 -93.3847  356.685   89.516  377.635   35.760   15.981   41.353   17.454 -5.592297 23.66443 
1 1 1    5   30   16 o  132.030   5.4304  2685.71  218.836  2685.71  218.836   0.0000   0.0000  132.030   5.4304  ?   ?  0.000000 5.430359 
1 1 1    5   30   17 o   58.885   6.2277  541.780  110.233  541.780  110.233   0.0000   0.0000   58.885   6.2277  ?   ?  0.000000 6.227685 
1 1 1    5   30   19 o  185.235   6.3243  5311.83  357.562  5311.83  357.562   0.0000   0.0000  185.235   6.3243  ?   ?  0.000000 6.324296 
1 1 1    5   31    0 o   48.196   7.1290  378.888   98.129  378.888   98.129  378.888   98.129   48.196   7.1290   48.196   7.1290 -0.000000 0.000000 
1 1 1    5   31    1 o   68.267   13.685  776.955  275.217  784.906  393.574  769.346  385.000   66.902   18.601   66.311   18.383 0.5917130 26.15202 
1 1 1    5   31    2 o   57.913   14.860  568.423  263.978  587.223  380.442  550.968  366.587   58.611   18.785   57.022   18.457 1.588245 26.33497 
1 1 1    5   31    3 o   67.038   13.904  751.977  275.156  733.080  396.537  769.524  382.122   64.664   18.901   66.314   18.287 -1.650047 26.29940 
1 1 1    5   31    4 o   50.083   16.279  412.437  284.989  412.437  284.989   0.0000   0.0000   50.083   16.279  ?   ?  0.000000 16.27867 
1 1 1    5   31    5 o   31.560   10.610  149.572  120.784  149.572  120.784   0.0000   0.0000   31.560   10.610  ?   ?  0.000000 10.61015 
1 1 1    5   31    6 o  191.865   15.961  6129.61  926.211  6129.61  926.211   0.0000   0.0000  191.865   15.961  ?   ?  0.000000 15.96091 
1 1 1    5   31    7 o   46.912   18.305  279.291  378.646  279.291  378.646   0.0000   0.0000   46.912   18.305  ?   ?  0.000000 18.30512 
1 1 1    5   31    8 o  151.351   13.854  3752.65  632.905  3752.65  632.905   0.0000   0.0000  151.351   13.854  ?   ?  0.000000 13.85418 
1 1 1    5   31    9 o   70.706   5.7075  776.552  122.124  776.552  122.124   0.0000   0.0000   70.706   5.7075  ?   ?  0.000000 5.707456 
1 1 1    5   31   10 o   39.169   16.888   35.696  367.151   35.696  367.151   0.0000   0.0000   39.169   16.888  ?   ?  0.000000 16.88816 
1 1 1    5   31   11 o   49.953   18.753  368.249  387.278  368.249  387.278   0.0000   0.0000   49.953   18.753  ?   ?  0.000000 18.75271 
1 1 1    5   31   12 o   45.678   7.5520  333.248  101.610  333.248  101.610   0.0000   0.0000   45.678   7.5520  ?   ?  0.000000 7.552045 
1 1 1    5   31   13 o  105.457   5.3248  1719.91  170.841  1719.91  170.841   0.0000   0.0000  105.457   5.3248  ?   ?  0.000000 5.324838 
1 1 1    5   31   14 o  118.898   15.579  2390.73  551.769  2390.73  551.769   0.0000   0.0000  118.898   15.579  ?   ?  0.000000 15.57913 
1 1 1    5   31   15 o   44.016   17.641  222.258  360.426  222.258  360.426   0.0000   0.0000   44.016   17.641  ?   ?  0.000000 17.64083 
1 1 1    5   31   16 f   96.600   5.2340  1444.33  153.746  1444.33  153.746   0.0000   0.0000   96.600   5.2340  ?   ?  0.000000 5.234001 
1 1 1    5   32    0 o   32.319   19.361  190.167  341.252  190.167  341.252  190.167  341.252   32.319   19.361   32.319   19.361 -0.000000 0.000000 
1 1 1    5   32    1 o  132.489   5.3864  2711.47  217.817  2711.47  217.817   0.0000   0.0000  132.489   5.3864  ?   ?  0.000000 5.386372 
1 1 1    5   32    2 o   47.848   18.007  340.888  357.510  340.888  357.510   0.0000   0.0000   47.848   18.007  ?   ?  0.000000 18.00682 
1 1 1    5   32    3 o  166.288   15.221  4659.65  763.975  4659.65  763.975   0.0000   0.0000  166.288   15.221  ?   ?  0.000000 15.22110 
1 1 1    5   32    4 o   83.688   17.506  1239.66  432.786  1239.66  432.786   0.0000   0.0000   83.688   17.506  ?   ?  0.000000 17.50575 
1 1 1    5   32    5 o  111.027   4.8170  1899.95  163.238  1929.63  174.003  1682.05  471.414  111.825   5.0980   98.706   16.210 13.11873 16.99297 
1 1 1    5   32    6 o   51.961   15.317  465.642  259.453  552.330  373.859  385.104  360.356   56.128   18.664   49.446   18.179 6.682411 26.05419 
1 1 1    5   32    7 o  125.289   10.189  2518.24  386.256  2571.73  550.221  2466.26  542.362  123.326   14.921  120.641   15.057 2.684715 21.19770 
1 1 1    5   32    8 o   42.259   15.846  255.206  276.366  249.837  365.990  262.329  421.556   44.815   17.838   46.846   18.971 -2.031227 26.04042 
1 1 1    6    0    2 o   93.768   10.560  1394.05  292.357  1394.05  292.357  1394.05  292.357   93.768   10.560   93.768   10.560 -0.000000 0.000000 
1 1 1    6    0    3 o  477.997   9.1315 34946.07  1331.15 34946.07  1331.15 34946.07  1331.15  477.997   9.1315  477.997   9.1315 -0.000000 0.000000 
1 1 1    6    0    4 o   46.047   2.9129  327.489   40.564  327.489   40.564  327.489   40.564   46.047   2.9129   46.047   2.9129 -0.000000 0.000000 
1 1 1    6    0    5 o   73.618   2.9877  831.277   66.882  831.277   66.882  831.277   66.882   73.618   2.9877   73.618   2.9877 -0.000000 0.000000 
1 1 1    6    0    6 o  451.968   11.567 31287.25  1593.36 31287.25  1593.36 31287.25  1593.36  451.968   11.567  451.968   11.567 -0.000000 0.000000 
1 1 1    6    0    7 o  137.654   12.146  2963.61  501.171  2963.61  501.171  2963.61  501.171  137.654   12.146  137.654   12.146 -0.000000 0.000000 
1 1 1    6    0    8 o  178.244   5.9351  4866.61  322.083  4866.61  322.083  4866.61  322.083  178.244   5.9351  178.244   5.9351 -0.000000 0.000000 
1 1 1    6    0    9 o  813.206   20.748 101571.90  5142.29 101571.90  5142.29 101571.90  5142.29  813.206   20.748  813.206   20.748 0.000000 0.000000 
1 1 1    6    0   10 o  265.033   12.294 10804.19  989.613 10804.19  989.613 10804.19  989.613  265.033   12.294  265.033   12.294 -0.000000 0.000000 
1 1 1    6    0   11 o  356.056   10.076 19410.84  1093.05 19410.84  1093.05 19410.84  1093.05  356.056   10.076  356.056   10.076 -0.000000 0.000000 
1 1 1    6    0   12 o  567.814   15.462 49406.34  2675.17 49406.34  2675.17 49406.34  2675.17  567.814   15.462  567.814   15.462 -0.000000 0.000000 
1 1 1    6    0   13 f  140.357   5.2338  3019.59  223.510  3019.59  223.510  3019.59  223.510  140.357   5.2338  140.357   5.2338 -0.000000 0.000000 
1 1 1    6    0   14 o  141.060   3.6950  3043.19  158.840  3043.19  158.840  3043.19  158.840  141.060   3.6950  141.060   3.6950 0.000000 0.000000 
1 1 1    6    0   15 o  1234.77   51.459 237921.59 19317.22 237921.59 19317.22 237921.59 19317.22  1234.77   51.459  1234.77   51.459 -0.000000 0.000000 
1 1 1    6    0   16 o  944.766   16.691 136587.30  4809.60 136587.30  4809.60 136587.30  4809.60  944.766   16.691  944.766   16.691 -0.000000 0.000000 
1 1 1    6    0   17 o  655.562   11.835 65707.58  2366.41 65707.58  2366.41 65707.58  2366.41  655.562   11.835  655.562   11.835 0.000000 0.000000 
1 1 1    6    0   18 o  654.450   10.891 65465.95  2174.22 65465.95  2174.22 65465.95  2174.22  654.450   10.891  654.450   10.891 0.000000 0.000000 
1 1 1    6    0   19 o  1069.17   29.925 175820.41  9748.37 175820.41  9748.37 175820.41  9748.37  1069.17   29.925  1069.17   29.925 -0.000000 0.000000 
1 1 1    6    0   20 o  1025.59   14.478 160827.91  4530.21 160827.91  4530.21 160827.91  4530.21  1025.59   14.478  1025.59   14.478 -0.000000 0.000000 
1 1 1    6    0   21 o  406.121   14.440 25299.63  1784.80 25299.63  1784.80 25299.63  1784.80  406.121   14.440  406.121   14.440 -0.000000 0.000000 
1 1 1    6    0   22 o  973.426   23.616 145393.80  7007.22 145393.80  7007.22 145393.80  7007.22  973.426   23.616  973.426   23.616 0.000000 0.000000 
1 1 1    6    0   23 o  838.566   13.004 107515.60  3326.57 107515.60  3326.57 107515.60  3326.57  838.566   13.004  838.566   13.004 -0.000000 0.000000 
1 1 1    6    0   24 o  217.984   3.8730  7259.24  257.498  7259.24  257.498  7259.24  257.498  217.984   3.8730  217.984   3.8730 -0.000000 0.000000 
1 1 1    6    0   25 o  754.323   31.386 87898.20  7197.82 87898.20  7197.82 87898.20  7197.82  754.323   31.386  754.323   31.386 -0.000000 0.000000 
1 1 1    6    0   26 o  785.672   21.160 94721.30  5065.87 94721.30  5065.87 94721.30  5065.87  785.672   21.160  785.672   21.160 -0.000000 0.000000 
1 1 1    6    0   27 o  785.418   13.874 94370.02  3323.72 94370.02  3323.72 94370.02  3323.72  785.418   13.874  785.418   13.874 -0.000000 0.000000 
1 1 1    6    0   28 o  606.506   13.843 56311.55  2559.59 56311.55  2559.59 56311.55  2559.59  606.506   13.843  606.506   13.843 -0.000000 0.000000 
1 1 1    6    0   29 o   53.694   4.6382  449.828   74.708  449.828   74.708  449.828   74.708   53.694   4.6382   53.694   4.6382 -0.000000 0.000000 
1 1 1    6    0   30 f  517.504   9.8156 40951.15  1549.16 40951.15  1549.16 40951.15  1549.16  517.504   9.8156  517.504   9.8156 0.000000 0.000000 
1 1 1    6    0   31 o   72.832   3.5559  815.407   78.617  815.407   78.617  815.407   78.617   72.832   3.5559   72.832   3.5559 -0.000000 0.000000 
1 1 1    6    0   32 f  933.901   13.913 133490.30  3964.00 133490.30  3964.00 133490.30  3964.00  933.901   13.913  933.901   13.913 -0.000000 0.000000 
1 1 1    6    0   33 o  183.367   4.2555  5140.84  237.880  5140.84  237.880  5140.84  237.880  183.367   4.2555  183.367   4.2555 -0.000000 0.000000 
1 1 1    6    0   34 o  626.612   12.042 60127.75  2301.27 60127.75  2301.27 60127.75  2301.27  626.612   12.042  626.612   12.042 -0.000000 0.000000 
1 1 1    6    0   35 o  434.889   11.586 28997.05  1535.43 28997.05  1535.43 28997.05  1535.43  434.889   11.586  434.889   11.586 -0.000000 0.000000 
1 1 1    6    0   36 o   28.594   5.5373  137.993   43.114  137.993   43.114  137.993   43.114   28.594   5.5373   28.594   5.5373 -0.000000 0.000000 
1 1 1    6    0   37 o  132.557   4.4222  2691.80  178.468  2691.80  178.468  2691.80  178.468  132.557   4.4222  132.557   4.4222 -0.000000 0.000000 
1 1 1    6    0   38 o  106.256   4.8770  1734.94  157.411  1734.94  157.411  1734.94  157.411  106.256   4.8770  106.256   4.8770 -0.000000 0.000000 
1 1 1    6    0   39 o   42.223   4.6147  281.843   57.667  281.843   57.667  281.843   57.667   42.223   4.6147   42.223   4.6147 0.000000 0.000000 
1 1 1    6    0   40 o  303.328   5.9364 14071.85  549.133 14071.85  549.133 14071.85  549.133  303.328   5.9364  303.328   5.9364 -0.000000 0.000000 
1 1 1    6    0   41 o   18.024   8.4810   72.721   52.514   72.721   52.514   72.721   52.514   18.024   8.4810   18.024   8.4810 -0.000000 0.000000 
1 1 1    6    0   42 o  225.718   4.7305  7791.19  325.582  7791.19  325.582  7791.19  325.582  225.718   4.7305  225.718   4.7305 -0.000000 0.000000 
1 1 1    6    0   43 o  321.813   6.0800 15841.73  596.730 15841.73  596.730 15841.73  596.730  321.813   6.0800  321.813   6.0800 -0.000000 0.000000 
1 1 1    6    0   44 o  225.575   3.6723  7775.37  252.692  7775.37  252.692  7775.37  252.692  225.575   3.6723  225.575   3.6723 -0.000000 0.000000 
1 1 1    6    0   45 o   10.058   6.1088   13.939   34.926   13.939   34.926   13.939   34.926   10.058   6.1088   10.058   6.1088 -0.000000 0.000000 
1 1 1    6    0   46 o  185.343   3.5474  5250.72  200.512  5250.72  200.512  5250.72  200.512  185.343   3.5474  185.343   3.5474 -0.000000 0.000000 
1 1 1    6    0   47 f   48.267   4.5264  365.095   65.337  365.095   65.337  365.095   65.337   48.267   4.5264   48.267   4.5264 -0.000000 0.000000 
1 1 1    6    0   48 o  166.652   4.0822  4248.73  207.365  4248.73  207.365  4248.73  207.365  166.652   4.0822  166.652   4.0822 -0.000000 0.000000 
1 1 1    6    0   49 o  364.197   23.597 20929.09  2597.84 20929.09  2597.84 20929.09  2597.84  364.197   23.597  364.197   23.597 -0.000000 0.000000 
1 1 1    6    0   50 o  291.460   8.6097 13037.34  764.407 13037.34  764.407 13037.34  764.407  291.460   8.6097  291.460   8.6097 -0.000000 0.000000 
1 1 1    6    0   51 o  267.460   5.7125 10947.49  465.862 10947.49  465.862 10947.49  465.862  267.460   5.7125  267.460   5.7125 0.000000 0.000000 
1 1 1    6    0   52 o  234.489   4.2197  8406.48  301.790  8406.48  301.790  8406.48  301.790  234.489   4.2197  234.489   4.2197 0.000000 0.000000 
1 1 1    6    0   53 o  226.710   4.0184  7857.61  277.867  7857.61  277.867  7857.61  277.867  226.710   4.0184  226.710   4.0184 0.000000 0.000000 
1 1 1    6    0   54 o   79.205   6.1377  976.477  146.332  976.477  146.332  976.477  146.332   79.205   6.1377   79.205   6.1377 0.000000 0.000000 
1 1 1    6    0   55 o   82.705   13.553  1134.26  314.514  1134.26  314.514  1134.26  314.514   82.705   13.553   82.705   13.553 0.000000 0.000000 
1 1 1    6    0   56 o  154.963   5.1484  3683.38  242.903  3683.38  242.903  3683.38  242.903  154.963   5.1484  154.963   5.1484 0.000000 0.000000 
1 1 1    6    0   57 o  280.394   12.858 12223.31  1095.16 12223.31  1095.16 12223.31  1095.16  280.394   12.858  280.394   12.858 0.000000 0.000000 
1 1 1    6    0   58 o  104.320   2.6385  1665.01   83.891  1665.01   83.891  1665.01   83.891  104.320   2.6385  104.320   2.6385 0.000000 0.000000 
1 1 1    6    0   59 o  148.562   5.1154  3388.97  231.329  3388.97  231.329  3388.97  231.329  148.562   5.1154  148.562   5.1154 0.000000 0.000000 
1 1 1    6    0   60 o   57.289   3.8022  508.282   65.813  508.282   65.813  508.282   65.813   57.289   3.8022   57.289   3.8022 0.000000 0.000000 
1 1 1    6    0   61 o   25.182   6.5407  114.733   43.443  114.733   43.443  114.733   43.443   25.182   6.5407   25.182   6.5407 0.000000 0.000000 
1 1 1    6    0   62 o   15.073   8.6796   44.072   64.092   44.072   64.092   44.072   64.092   15.073   8.6796   15.073   8.6796 0.000000 0.000000 
1 1 1    6    1    0 o  769.654   14.627 90763.31  3433.43 90763.31  3433.43 90763.31  3433.43  769.654   14.627  769.654   14.627 0.000000 0.000000 
1 1 1    6    1    1 o  457.318   15.801 32128.30  2205.53 33294.09  2701.57 29798.55  3819.09  464.851   19.041  436.205   28.848 28.64584 34.56498 
1 1 1    6    1    2 o  373.075   9.1008 21287.36  1036.32 20991.83  1122.77 22987.65  2693.10  370.399   9.9313  384.776   23.037 -14.37708 25.08669 
1 1 1    6    1    3 o  395.106   13.710 23940.47  1653.40 23321.80  2023.72 25182.47  2867.35  389.454   17.025  402.696   23.430 -13.24167 28.96189 
1 1 1    6    1    4 o  527.008   7.7875 42451.30  1252.66 42130.95  2039.23 42645.45  1587.48  524.339   12.742  527.968   9.8511 -3.628662 16.10596 
1 1 1    6    1    5 o  212.724   4.0886  6908.72  265.467  6763.53  288.998  7692.93  671.653  210.467   4.4988  224.253   9.8127 -13.78561 10.79483 
1 1 1    6    1    6 o  558.517   16.091 47898.82  2743.07 47041.40  3877.74 48757.62  3880.84  551.731   23.027  561.824   22.631 -10.09338 32.28632 
1 1 1    6    1    7 o  125.068   4.4885  2388.25  171.342  2379.71  186.462  2434.60  434.368  124.839   4.8935  125.602   11.456 -0.7631378 12.45774 
1 1 1    6    1    8 o  192.353   4.3858  5648.86  257.490  6043.92  364.010  5253.21  364.280  198.930   5.9951  185.450   6.4356 13.47948 8.795372 
1 1 1    6    1    9 o  926.832   21.007 132245.91  5942.70 133206.09  6441.88 126760.70 15396.70  929.511   22.706  881.311   57.554 48.19977 61.87069 
1 1 1    6    1   10 o  305.499   4.9654 14249.61  463.000 14013.67  586.278 14640.63  754.738  302.916   6.3411  309.551   7.9882 -6.635040 10.19903 
1 1 1    6    1   11 o  562.261   9.9491 48325.76  1707.42 47690.43  1787.19 54969.61  5779.41  558.502   10.484  594.305   31.978 -35.80255 33.65317 
1 1 1    6    1   12 o  499.678   10.169 38164.04  1550.94 38509.37  3048.57 38043.45  1801.50  500.810   19.944  498.749   11.834 2.060791 23.19047 
1 1 1    6    1   13 o  136.680   2.7854  2851.29  116.201  2846.07  188.759  2854.47  147.453  136.542   4.5292  136.751   3.5327 -0.2090607 5.744030 
1 1 1    6    1   14 o  680.966   9.4185 70851.76  1957.59 72397.38  2701.20 69142.01  2841.00  688.002   12.863  672.239   13.846 15.76324 18.89917 
1 1 1    6    1   15 o  672.061   12.400 69064.34  2543.63 71905.06  3783.10 66720.53  3436.33  684.987   18.095  659.983   17.059 25.00415 24.86790 
1 1 1    6    1   16 o  745.896   11.389 85042.95  2592.86 86792.97  4647.61 84252.13  3124.25  752.236   20.242  742.144   13.792 10.09241 24.49446 
1 1 1    6    1   17 o  392.631   5.9966 23536.64  718.633 23460.16  968.899 23630.15  1071.42  391.923   8.0995  393.307   8.9250 -1.384094 12.05233 
1 1 1    6    1   18 o  347.500   5.9151 18436.46  627.382 19689.53  1235.71 18001.28  728.220  358.919   11.280  343.347   6.9488 15.57138 13.24844 
1 1 1    6    1   19 o  541.786   7.3274 44825.15  1211.69 44692.21  1567.93 45022.27  1909.22  540.864   9.4978  542.720   11.526 -1.855408 14.93475 
1 1 1    6    1   20 o  464.075   6.3847 32883.55  904.368 32972.76  1309.36 32802.17  1250.60  464.579   9.2339  463.395   8.8420 1.183472 12.78456 
1 1 1    6    1   21 o  127.788   4.1609  2492.66  162.292  2429.85  198.623  2618.82  281.505  126.161   5.1581  130.764   7.0795 -4.603279 8.759279 
1 1 1    6    1   22 o  499.961   8.9692 38186.33  1368.70 42016.23  3418.31 37455.08  1493.66  523.167   21.407  495.096   9.8842 28.07144 23.57868 
1 1 1    6    1   23 o  783.610   11.447 93872.64  2737.74 99944.72  8021.67 93072.11  2912.62  803.595   32.705  780.166   12.231 23.42896 34.91715 
1 1 1    6    1   24 o  288.681   4.5113 12721.69  397.503 12404.02  535.804 13110.57  592.820  285.020   6.1590  293.013   6.6285 -7.993134 9.048278 
1 1 1    6    1   25 o  293.658   4.6488 13164.44  416.677 13214.32  533.598 13086.50  667.027  294.185   5.9426  292.717   7.4658 1.468109 9.542166 
1 1 1    6    1   26 o  397.057   7.4300 24079.04  900.453 23980.16  941.830 25130.80  3071.68  396.225   7.7878  403.209   25.083 -6.984100 26.26452 
1 1 1    6    1   27 o  358.284   5.7568 19600.06  629.542 19608.75  782.675 19584.13  1059.55  358.315   7.1565  357.976   9.6973 0.3393250 12.05206 
1 1 1    6    1   28 o  478.465   6.3283 34958.97  924.180 34113.93  1084.45 37201.03  1766.42  472.586   7.5181  493.195   11.734 -20.60852 13.93614 
1 1 1    6    1   29 o  346.482   4.7943 18327.90  507.021 18054.29  699.509 18630.77  735.949  343.825   6.6656  349.261   6.9037 -5.436676 9.596400 
1 1 1    6    1   30 o  259.648   3.2533 10290.61  257.823 10287.03  346.078 10295.06  386.494  259.584   4.3680  259.674   4.8764 -0.9036255E-01 6.546618 
1 1 1    6    1   31 o  463.152   5.6378 32757.30  796.984 32475.98  1248.85 32950.60  1035.19  460.944   8.8766  464.417   7.3029 -3.473267 11.49460 
1 1 1    6    1   32 o  292.247   3.6832 13038.33  328.542 13266.13  502.031 12867.70  434.507  294.731   5.5807  290.294   4.9039 4.436310 7.429152 
1 1 1    6    1   33 f  201.452   2.6777  6194.59  164.643  6394.82  218.483  5931.46  250.461  204.668   3.4974  197.100   4.1633 7.567719 5.437375 
1 1 1    6    1   34 o  274.907   4.5129 11540.82  378.669 11414.27  471.814 11769.88  634.774  273.346   5.6551  277.465   7.4954 -4.119690 9.389405 
1 1 1    6    1   35 o  386.012   8.5801 22801.21  1010.91 22918.31  2817.99 22783.92  1082.99  382.708   24.250  385.789   9.1973 -3.081024 25.93520 
1 1 1    6    1   36 o  247.400   3.1958  9344.85  241.322  9268.23  319.557  9446.54  368.139  246.343   4.2500  248.674   4.8503 -2.330154 6.448848 
1 1 1    6    1   37 o  595.445   7.7814 54260.69  1414.22 56589.94  2103.28 52338.65  1910.59  607.135   11.350  584.072   10.717 23.06293 15.61031 
1 1 1    6    1   38 o  701.698   20.716 76744.97  4436.90 82103.11  8876.24 74960.23  5122.81  703.021   41.551  690.788   24.297 12.23315 48.13292 
1 1 1    6    1   39 o  224.520   3.1365  7697.02  214.942  7761.37  277.474  7600.48  339.880  225.418   4.0329  223.018   4.9931 2.399750 6.418337 
1 1 1    6    1   40 o  443.500   6.5081 30088.76  880.978 32771.04  1885.37 29339.52  996.452  461.080   13.397  437.781   7.4573 23.29959 15.33258 
1 1 1    6    1   41 o  251.950   4.8030  9700.87  369.355  9914.36  502.795  9450.62  544.371  254.566   6.4710  248.470   7.1780 6.095871 9.664274 
1 1 1    6    1   42 o  133.617   2.5114  2725.72  102.422  2666.64  142.621  2788.64  147.179  132.135   3.5363  135.123   3.5686 -2.988007 5.023964 
1 1 1    6    1   43 o  223.033   3.2237  7596.60  219.450  7548.18  318.525  7640.35  302.772  222.236   4.6958  223.606   4.4363 -1.369995 6.459970 
1 1 1    6    1   44 o  112.329   2.3884  1926.38   81.889  1938.76  121.684  1916.13  110.709  112.664   3.5386  112.012   3.2382 0.6517258 4.796628 
1 1 1    6    1   45 o   54.997   3.8518  464.345   64.250  475.429   69.776  402.571  164.728   55.628   4.1392   50.182   11.053 5.446537 11.80307 
1 1 1    6    1   46 o  305.818   5.4472 14303.00  508.456 14923.52  720.290 13686.67  717.847  312.078   7.5618  298.816   7.8707 13.26230 10.91461 
1 1 1    6    1   47 o  315.878   4.3455 15248.00  418.965 15282.67  507.326 15173.66  742.951  316.138   5.2577  314.647   7.7361 1.491425 9.353598 
1 1 1    6    1   48 o  146.381   2.6783  3271.79  119.664  3142.74  167.457  3406.46  171.060  143.426   3.8252  149.326   3.7532 -5.899643 5.358982 
1 1 1    6    1   49 o  301.024   7.4988 13887.64  688.987 13628.24  1818.22 13931.14  744.510  293.606   20.416  301.390   8.0933 -7.784058 21.96177 
1 1 1    6    1   50 o  212.003   4.5056  6870.16  291.549  6833.62  413.668  6906.21  410.969  211.264   6.4152  212.391   6.3395 -1.127213 9.019081 
1 1 1    6    1   51 o   95.396   2.5517  1389.57   74.298  1350.57   94.438  1452.93  120.364   94.030   3.2905   97.506   4.0444 -3.475403 5.213841 
1 1 1    6    1   52 o  296.001   4.1610 13392.11  375.927 13292.81  439.867 13661.15  724.017  294.815   4.8883  298.345   7.9508 -3.530884 9.333327 
1 1 1    6    1   53 o  232.534   3.4261  8261.42  243.169  8141.61  444.631  8312.55  290.455  230.526   6.3192  233.197   4.0808 -2.670395 7.522285 
1 1 1    6    1   54 o  109.103   3.0174  1818.36  100.482  1727.60  127.762  1965.54  162.691  106.310   3.9374  113.354   4.7023 -7.044968 6.133096 
1 1 1    6    1   55 o  444.232   13.530 30760.30  1834.50 31362.43  2601.80 30164.98  2587.01  443.872   19.204  435.054   19.482 8.817841 27.35622 
1 1 1    6    1   56 o   24.626   10.284   18.912  128.947   9.4312  194.523   26.344  172.224   29.407   12.475   28.439   11.881 0.9677067 17.22798 
1 1 1    6    1   57 o  275.048   5.0738 11588.68  425.946 11654.52  1081.52 11576.60  463.398  273.005   12.979  274.809   5.5247 -1.803131 14.10607 
1 1 1    6    1   58 o  288.609   3.9641 12745.08  349.194 12749.57  492.924 12740.55  494.751  288.284   5.6020  288.176   5.6249 0.1081238 7.938593 
1 1 1    6    1   59 o  207.546   3.6692  6590.82  232.438  6818.15  363.266  6433.23  302.459  210.722   5.6480  204.854   4.8373 5.867828 7.436402 
1 1 1    6    1   60 o  122.657   2.5367  2299.27   94.967  2373.18  135.422  2227.76  133.213  124.526   3.5630  120.646   3.6176 3.880699 5.077552 
1 1 1    6    1   61 o  192.402   3.0901  5663.04  181.467  5854.99  266.193  5496.39  248.034  195.380   4.4637  189.338   4.2920 6.042114 6.192401 
1 1 1    6    1   62 o   71.556   3.3888  783.949   74.014  742.414   97.596  840.173  113.550   69.385   4.6350   73.759   5.0746 -4.373795 6.872806 
1 1 1    6    2    0 o  327.241   8.1318 16387.18  811.087 16387.18  811.087 16387.18  811.087  327.241   8.1318  327.241   8.1318 -0.000000 0.000000 
1 1 1    6    2    1 o  388.518   8.7731 23081.74  1040.36 22797.09  1114.96 24997.79  2892.75  386.053   9.4623  401.157   23.731 -15.10394 25.54787 
1 1 1    6    2    2 o  432.876   10.386 28675.16  1372.25 28675.16  1372.25   0.0000   0.0000  432.876   10.386  ?   ?  0.000000 10.38608 
1 1 1    6    2    3 o  385.212   9.4101 22695.97  1106.40 22499.16  1199.18 23822.27  2868.72  383.460   10.246  391.539   24.122 -8.079254 26.20792 
1 1 1    6    2    4 f  433.614   10.781 28775.58  1426.85 30469.69  3697.36 28479.13  1546.66  441.942   27.547  431.260   11.750 10.68207 29.94837 
1 1 1    6    2    5 o  454.768   19.433 31845.27  2697.34 32035.45  3808.89 31653.95  3820.39  453.266   27.664  450.459   27.924 2.806549 39.30710 
1 1 1    6    2    6 o  666.845   16.728 68295.32  3404.66   0.0000   0.0000 68295.32  3404.66  ?   ?   666.845   16.728 0.000000 16.72751 
1 1 1    6    2    7 o  361.286   15.911 20028.76  1754.56 21475.57  2478.79 18576.04  2483.85  372.582   21.893  346.023   23.660 26.55859 32.23542 
1 1 1    6    2    8 o  704.578   24.037 76659.00  5169.15 77236.50  6330.52 75503.61  8954.25  705.176   29.412  689.386   42.766 15.78986 51.90372 
1 1 1    6    2    9 o  785.975   12.176 94542.25  2921.10 93893.24  3577.53 95840.43  5059.72  782.710   14.975  789.167   21.006 -6.456970 25.79719 
1 1 1    6    2   10 o  227.865   4.7202  7927.03  328.290  7956.97  444.525  7891.11  486.910  228.259   6.3805  227.295   7.0184 0.9634857 9.485191 
1 1 1    6    2   11 o  337.161   6.3630 17359.76  654.812 17021.08  854.745 17840.92  1018.79  333.777   8.3900  341.652   9.7698 -7.875580 12.87794 
1 1 1    6    2   12 o  681.029   13.913 70981.61  2891.97 73251.44  5680.38 70187.43  3360.02  689.146   27.005  676.859   16.264 12.28778 31.52462 
1 1 1    6    2   13 o  473.249   7.9690 34209.32  1151.09 34381.10  1697.19 34062.98  1566.44  474.194   11.726  472.058   10.872 2.136383 15.99059 
1 1 1    6    2   14 o  705.357   10.398 76036.30  2238.58 74241.28  2870.01 78824.91  3577.19  696.644   13.498  717.430   16.336 -20.78589 21.19078 
1 1 1    6    2   15 o  492.439   10.800 37061.82  1623.30 36431.13  1885.18 38870.65  3192.58  488.098   12.654  503.320   20.782 -15.22183 24.33112 
1 1 1    6    2   16 o  812.699   13.418 101018.00  3328.34 102688.00  8295.62 100697.60  3633.62  814.779   33.357  811.235   14.675 3.544250 36.44270 
1 1 1    6    2   17 o  301.608   7.2344 13891.40  665.979 14225.20  1400.15 13793.80  757.107  304.894   15.046  300.519   8.2541 4.375214 17.16097 
1 1 1    6    2   18 o  688.169   10.986 72377.01  2307.61 79184.41  5063.37 70592.41  2592.51  718.042   23.103  679.488   12.500 38.55438 26.26819 
1 1 1    6    2   19 o  347.724   5.5641 18459.42  590.540 18044.82  865.844 18820.03  807.504  343.720   8.2531  351.050   7.5363 -7.329437 11.17630 
1 1 1    6    2   20 o  917.122   13.028 128630.60  3646.81 127521.80  6749.24 129087.80  4333.94  910.826   24.277  918.362   15.462 -7.535889 28.78284 
1 1 1    6    2   21 o  521.032   9.1472 41473.82  1454.69 43405.11  2265.09 40118.09  1897.80  532.656   13.932  512.240   12.138 20.41510 18.47830 
1 1 1    6    2   22 o  577.448   8.5636 50936.03  1509.34 51700.41  1974.55 49861.63  2340.99  581.575   11.124  570.930   13.434 10.64520 17.44138 
1 1 1    6    2   23 o  686.511   8.9582 72002.21  1877.09 72956.90  2255.01 69848.14  3387.26  690.890   10.694  675.311   16.433 15.57935 19.60637 
1 1 1    6    2   24 o  331.576   4.1309 16782.47  418.065 16803.13  542.997 16752.41  655.131  331.754   5.3625  331.223   6.4802 0.5311584 8.411280 
1 1 1    6    2   25 o  354.270   9.2075 19176.84  995.624 19289.19  1408.69 19064.69  1407.37  355.096   12.997  353.019   13.061 2.076660 18.42635 
1 1 1    6    2   26 o  294.534   6.1943 13246.50  556.861 13064.73  954.850 13340.19  685.507  292.344   10.701  295.532   7.5996 -3.187927 13.12497 
1 1 1    6    2   27 o  559.000   7.4286 47727.75  1267.46 48372.79  1748.99 47014.35  1839.35  562.559   10.186  554.544   10.867 8.015137 14.89451 
1 1 1    6    2   28 o  562.273   9.6205 48318.73  1651.06 47961.61  1802.11 50185.19  4119.87  560.110   10.541  570.938   23.642 -10.82819 25.88520 
1 1 1    6    2   29 o  229.469   3.2694  8037.35  228.985  8337.74  631.801  7991.93  245.689  233.585   8.8617  228.816   3.5179 4.768234 9.534462 
1 1 1    6    2   30 o  331.807   4.1509 16807.19  420.382 16816.74  645.076 16800.13  554.232  331.831   6.3691  331.699   5.4743 0.1318665 8.398421 
1 1 1    6    2   31 o  250.846   4.2228  9606.37  323.312  9356.51  560.384  9731.05  395.837  247.469   7.4190  252.447   5.1372 -4.977783 9.024044 
1 1 1    6    2   32 o  567.669   9.1162 49274.43  1579.53 50060.88  2315.92 48590.43  2159.82  571.560   13.275  563.224   12.564 8.336182 18.27791 
1 1 1    6    2   33 o  322.702   7.0607 15914.27  695.456 15975.43  790.803 15705.54  1460.96  323.258   8.0150  319.815   14.967 3.443237 16.97756 
1 1 1    6    2   34 o  245.999   3.3287  9238.69  249.936  9672.20  396.066  8951.82  322.189  251.641   5.1567  242.119   4.3598 9.522629 6.752695 
1 1 1    6    2   35 o  188.991   3.7673  5453.85  217.312  5655.37  474.989  5400.50  244.390  192.266   8.0940  188.051   4.2579 4.214981 9.145621 
1 1 1    6    2   36 o  124.560   2.2434  2368.31   85.289  2418.78  134.790  2334.61  110.143  125.861   3.5087  123.662   2.9181 2.199051 4.563628 
1 1 1    6    2   37 o  155.987   2.9950  3714.91  142.594  4119.06  455.036  3670.90  150.157  163.714   9.1428  155.057   3.1728 8.657761 9.677687 
1 1 1    6    2   38 o  447.929   5.0392 30659.07  688.955 30795.70  974.480 30522.52  974.179  448.642   7.1163  446.643   7.1460 1.999084 10.08499 
1 1 1    6    2   39 f  370.604   5.4852 20994.51  620.473 20095.98  954.068 21653.08  816.799  362.159   8.6310  376.167   7.1141 -14.00790 11.18503 
1 1 1    6    2   40 o  308.473   4.3017 14537.02  405.014 14471.87  474.748 14711.24  776.296  307.719   5.0547  309.888   8.2074 -2.168427 9.639036 
1 1 1    6    2   41 o  105.762   2.5632  1707.73   82.744  1701.14   92.685  1733.58  183.639  105.553   2.8769  106.327   5.6791 -0.7745056 6.366188 
1 1 1    6    2   42 o  346.995   4.5993 18399.80  487.111 18165.30  880.281 18503.29  584.807  344.246   8.3779  347.869   5.5078 -3.623169 10.02623 
1 1 1    6    2   43 o  393.512   5.4176 23677.93  650.708 23626.03  1026.35 23712.81  841.436  392.512   8.5669  393.547   7.0050 -1.034515 11.06625 
1 1 1    6    2   44 o  243.081   3.4529  9024.93  256.185  8896.73  370.209  9142.74  354.879  241.239   5.0279  244.574   4.7539 -3.334900 6.919490 
1 1 1    6    2   45 o  187.865   3.3381  5390.36  191.411  5413.64  326.243  5378.14  236.369  188.131   5.6815  187.613   4.1277 0.5179749 7.022635 
1 1 1    6    2   46 o  382.551   5.1023 22375.36  595.766 21747.42  822.135 23069.75  864.545  376.810   7.1483  388.067   7.2990 -11.25677 10.21635 
1 1 1    6    2   47 o  185.207   3.3359  5238.98  188.576  5163.63  319.609  5279.22  233.563  183.729   5.6993  185.878   4.1168 -2.148560 7.030672 
1 1 1    6    2   48 o  226.748   3.1387  7852.15  217.224  7877.39  334.867  7833.81  285.425  227.000   4.8331  226.424   4.1300 0.5765991 6.357382 
1 1 1    6    2   49 o  491.931   7.3139 37081.37  1098.17 35712.07  1847.48 37829.52  1365.61  480.859   12.588  496.348   9.0141 -15.48953 15.48241 
1 1 1    6    2   50 o  252.499   4.1489  9743.25  319.752  9953.42  541.552  9630.77  396.182  254.891   6.9609  250.943   5.1725 3.949005 8.672353 
1 1 1    6    2   51 o  263.836   3.5150 10634.33  283.058 10873.70  437.633 10462.17  371.144  266.603   5.3781  261.590   4.6484 5.012848 7.108565 
1 1 1    6    2   52 o  139.029   5.3564  2957.50  227.296  3002.86  244.656  2671.53  614.342  140.065   5.7228  129.951   15.815 10.11404 16.81836 
1 1 1    6    2   53 o  146.898   5.0982  3301.63  228.585  3301.63  228.585   0.0000   0.0000  146.898   5.0982  ?   ?  0.000000 5.098170 
1 1 1    6    2   54 o  248.584   6.2444  9469.90  473.781  9394.38  508.704  9963.91  1301.15  247.507   6.7338  251.096   17.079 -3.588669 18.35846 
1 1 1    6    2   55 o  184.561   3.7441  5206.96  210.916  5158.83  235.405  5402.82  474.910  183.667   4.1992  187.394   8.3031 -3.727371 9.304540 
1 1 1    6    2   56 o  121.197   3.5388  2245.36  130.906  2158.53  202.387  2307.82  171.647  118.685   5.5869  122.803   4.5794 -4.118103 7.223853 
1 1 1    6    2   57 o   97.868   3.4525  1464.31  103.130  1492.89  170.686  1447.88  129.427   98.506   5.7014   97.266   4.3596 1.239746 7.177153 
1 1 1    6    2   58 o  210.019   4.0996  6750.55  262.798  7159.10  590.874  6649.80  293.416  215.120   8.9991  208.368   4.6136 6.752289 10.11276 
1 1 1    6    2   59 o   48.658   3.3448  363.815   49.373  375.118   78.389  356.382   63.566   49.161   5.3084   48.036   4.3838 1.124969 6.884543 
1 1 1    6    2   60 o  173.245   2.6534  4587.73  140.306  4916.07  228.422  4388.78  177.801  179.128   4.1779  169.356   3.4397 9.772186 5.411655 
1 1 1    6    2   61 o   76.443   3.6444  894.809   85.032  939.911  126.133  857.236  115.125   78.018   5.3287   74.531   5.0912 3.487267 7.369938 
1 1 1    6    2   62 o   95.209   3.8708  1389.30  112.485  1366.72  184.709  1402.62  141.816   93.855   6.4876   95.421   4.8856 -1.565872 8.121517 
1 1 1    6    3    0 o  699.644   29.359 75888.80  6244.44 75888.80  6244.44 75888.80  6244.44  699.644   29.359  699.644   29.359 -0.000000 0.000000 
1 1 1    6    3    1 o  446.808   8.1564 30515.80  1112.33 30884.51  1451.79 29991.68  1730.93  449.252   10.588  442.433   12.818 6.819122 16.62505 
1 1 1    6    3    2 o  142.652   3.5645  3106.53  155.202  2945.20  209.981  3300.79  230.417  138.879   4.9537  147.021   5.1347 -8.141815 7.134724 
1 1 1    6    3    3 o  356.606   6.5122 19426.57  708.813 18845.02  1002.43 20008.08  1002.40  351.042   9.3558  361.734   9.0789 -10.69211 13.03673 
1 1 1    6    3    4 o  604.535   25.156 56580.57  4641.72 52632.79  6563.88 60529.55  6564.89  576.977   37.475  620.351   34.812 -43.37378 51.14961 
1 1 1    6    3    5 o   73.199   9.3782  832.645  204.710   0.0000   0.0000  832.645  204.710  ?   ?    73.199   9.3782 0.000000 9.378219 
1 1 1    6    3    6 o  478.631   11.778 35063.74  1720.68 34286.53  2053.00 36898.62  3154.45  472.981   14.221  489.416   21.117 -16.43475 25.45893 
1 1 1    6    3    7 o  322.764   11.125 15938.08  1095.97 15623.00  1338.71 16578.43  1908.50  319.351   13.734  327.840   19.156 -8.489014 23.57079 
1 1 1    6    3    8 o  182.563   4.9428  5088.75  275.425  5035.99  295.711  5434.23  756.672  181.607   5.3348  187.926   13.277 -6.318909 14.30891 
1 1 1    6    3    9 o  558.743   10.698 47738.68  1824.38 47738.68  1824.38   0.0000   0.0000  558.743   10.698  ?   ?  0.000000 10.69759 
1 1 1    6    3   10 o  576.327   10.530 50780.71  1852.27 50616.70  2502.84 50979.33  2754.17  574.969   14.262  576.834   15.643 -1.864990 21.16843 
1 1 1    6    3   11 o  869.648   15.851 115848.30  4207.40 115275.30  5684.05 116542.90  6257.54  866.145   21.501  870.300   23.557 -4.155640 31.89360 
1 1 1    6    3   12 o  683.969   15.787 71642.50  3295.64 69611.57  3932.29 76436.09  6041.28  673.658   19.124  703.831   28.122 -30.17224 34.00856 
1 1 1    6    3   13 o  610.186   10.589 56906.08  1972.11 57379.71  6677.13 56860.82  2064.20  606.887   36.212  609.900   11.089 -3.012878 37.87135 
1 1 1    6    3   14 o  166.714   2.9122  4242.05  148.186  3951.52  237.214  4427.98  189.770  160.888   4.8306  170.323   3.6504 -9.434509 6.054731 
1 1 1    6    3   15 o  575.473   9.7930 50600.10  1720.12 51013.74  2340.32 50114.11  2536.77  577.533   13.276  572.296   14.523 5.237488 19.67660 
1 1 1    6    3   16 o  691.174   11.149 73015.23  2352.07 75153.48  3326.31 70876.95  3326.35  700.725   15.552  680.436   16.016 20.28906 22.32493 
1 1 1    6    3   17 o  688.110   11.730 72379.36  2463.57 70792.49  3633.02 73730.19  3351.96  679.841   17.508  694.035   15.823 -14.19409 23.59917 
1 1 1    6    3   18 o  381.334   5.6748 22200.70  660.502 21718.39  1086.07 22483.78  832.060  377.041   9.4374  383.716   7.1044 -6.674774 11.81256 
1 1 1    6    3   19 o  340.292   5.1457 17677.85  534.455 17071.93  720.180 18420.62  797.366  334.362   7.0568  347.304   7.5220 -12.94199 10.31399 
1 1 1    6    3   20 o  822.835   14.774 103607.40  3710.46 97630.83  5777.22 107803.70  4840.85  797.043   23.748  838.608   18.912 -41.56537 30.35831 
1 1 1    6    3   21 o  909.739   13.122 126583.00  3643.76 122289.80  6124.37 128935.40  4533.42  892.283   22.488  917.628   16.186 -25.34509 27.70701 
1 1 1    6    3   22 o  489.116   8.3628 36543.50  1248.47 36006.16  1362.31 39361.39  3119.74  485.461   9.1940  506.504   20.180 -21.04398 22.17558 
1 1 1    6    3   23 o  479.892   7.5849 35173.27  1110.99 37772.38  2185.51 34267.60  1290.11  496.803   14.413  473.603   8.9248 23.20026 16.95239 
1 1 1    6    3   24 o  254.974   4.7376  9924.65  368.700 10132.21  487.597  9647.51  563.424  257.598   6.2016  251.334   7.3446 6.263916 9.612616 
1 1 1    6    3   25 o  1080.36   18.053 178957.59  5953.04 184904.80  8099.09 171968.70  8779.81  1096.14   24.208  1055.93   27.242 40.20874 36.44345 
1 1 1    6    3   26 o  899.062   15.177 123777.50  4164.88 127137.40  5666.87 119830.80  6141.82  909.938   20.404  882.734   22.796 27.20355 30.59346 
1 1 1    6    3   27 o  443.102   6.1675 29981.06  834.122 29561.87  1152.28 30442.55  1209.02  439.873   8.5825  446.360   8.8742 -6.486725 12.34548 
1 1 1    6    3   28 o  194.300   2.7072  5762.12  160.552  5831.73  207.723  5658.82  253.032  195.462   3.4818  192.533   4.3058 2.929596 5.537412 
1 1 1    6    3   29 o  495.374   6.4616 37477.16  976.985 36922.05  1381.57 38032.43  1381.76  491.509   9.2092  498.856   9.0749 -7.346558 12.92918 
1 1 1    6    3   30 o  119.668   2.1973  2185.66   80.258  2416.35  172.974  2122.36   90.601  125.807   4.5046  117.921   2.5172 7.885651 5.160261 
1 1 1    6    3   31 o  534.354   8.6010 43644.08  1402.80 45279.47  2055.75 42218.99  1919.03  543.816   12.385  525.172   11.972 18.64417 17.22548 
1 1 1    6    3   32 o  322.417   4.3807 15871.86  431.105 15624.31  609.727 16119.33  609.621  319.815   6.2463  324.846   6.1484 -5.031616 8.764644 
1 1 1    6    3   33 o  258.316   6.9689 10197.60  549.452  9123.16  1358.34 10407.79  600.798  242.622   18.482  260.933   7.5437 -18.31142 19.96193 
1 1 1    6    3   34 o  257.884   3.8685 10154.45  304.495  9903.93  569.963 10254.50  360.206  254.516   7.3369  259.126   4.5543 -4.610504 8.635533 
1 1 1    6    3   35 o  498.689   6.6577 38018.89  1013.37 36207.32  1936.74 38701.83  1189.14  485.466   13.071  502.995   7.7456 -17.52884 15.19327 
1 1 1    6    3   36 o  223.189   2.7983  7604.71  190.626  7565.50  274.272  7641.35  265.133  222.572   4.0373  223.691   3.8833 -1.118927 5.601775 
1 1 1    6    3   37 o  208.615   3.5171  6645.60  223.945  6936.04  286.407  6188.67  359.239  213.089   4.4036  201.210   5.8495 11.87901 7.321750 
1 1 1    6    3   38 o  351.915   8.9668 18977.68  963.146 19305.22  1362.96 18650.97  1361.23  354.231   12.606  348.131   12.811 6.099976 17.97291 
1 1 1    6    3   39 o  307.437   4.1734 14438.07  391.614 14534.62  469.746 14218.05  709.114  308.400   4.9903  304.749   7.6235 3.651398 9.111638 
1 1 1    6    3   40 o  154.599   2.7125  3649.07  127.993  3612.90  150.568  3743.30  243.019  153.818   3.2071  156.499   5.0876 -2.681122 6.014064 
1 1 1    6    3   41 o  248.577   3.5888  9437.28  272.285  9371.20  368.532  9516.72  404.052  247.623   4.8760  249.505   5.3057 -1.882111 7.205968 
1 1 1    6    3   42 o  167.375   2.5173  4277.04  128.602  4367.17  166.279  4142.87  202.874  169.107   3.2215  164.676   4.0363 4.431046 5.164241 
1 1 1    6    3   43 o  211.332   2.7098  6819.16  174.794  6640.95  286.762  6924.52  220.490  208.462   4.5069  212.929   3.3926 -4.466568 5.641101 
1 1 1    6    3   44 o  420.003   5.0407 26968.16  646.186 27202.28  1012.01 26807.01  839.631  421.293   7.8701  418.490   6.5733 2.803101 10.25417 
1 1 1    6    3   45 o  132.032   3.0480  2662.12  122.833  2634.64  146.146  2728.24  226.696  131.330   3.6459  133.560   5.5610 -2.229813 6.649601 
1 1 1    6    3   46 o  403.971   6.3413 24976.57  781.890 25783.17  1274.39 24489.64  990.155  409.515   10.196  399.649   8.1172 9.865692 13.03230 
1 1 1    6    3   47 o  303.662   4.1667 14090.04  386.189 14673.26  685.351 13818.70  467.472  309.490   7.2552  300.631   5.0945 8.859131 8.865218 
1 1 1    6    3   48 o   59.950   3.5677  550.941   64.986  647.463  115.178  505.862   78.712   64.787   5.8889   57.352   4.5335 7.435291 7.431802 
1 1 1    6    3   49 o  288.727   6.7411 12766.49  594.063 13847.63  1202.17 12417.18  683.325  299.246   13.162  284.570   7.8672 14.67554 15.33394 
1 1 1    6    3   50 o  265.713   3.9572 10788.51  320.938 10878.46  380.614 10567.21  597.004  266.752   4.6748  262.552   7.4498 4.199371 8.795043 
1 1 1    6    3   51 o  419.295   5.6226 26903.20  719.576 26736.09  873.514 27256.02  1269.27  417.717   6.8513  420.848   9.8812 -3.130829 12.02410 
1 1 1    6    3   52 o  222.793   4.5467  7589.57  309.184  8027.02  448.021  7191.78  427.225  228.909   6.4124  216.666   6.4602 12.24257 9.102386 
1 1 1    6    3   53 o  347.792   6.4120 18535.55  680.659 19381.36  892.677 17360.81  1052.03  355.167   8.2346  335.517   10.273 19.65024 13.16599 
1 1 1    6    3   54 o  110.175   2.9368  1854.23   98.759  1906.55  120.253  1745.85  173.091  111.695   3.5273  106.793   5.3103 4.902382 6.375010 
1 1 1    6    3   55 o  146.172   2.7534  3263.72  122.843  3409.45  171.740  3111.03  175.784  149.341   3.7677  142.637   4.0377 6.703445 5.522514 
1 1 1    6    3   56 o  106.564   3.9083  1736.59  127.121  1648.06  185.078  1815.65  174.905  103.513   5.8822  108.872   5.2634 -5.358696 7.893277 
1 1 1    6    3   57 o  101.269   3.0330  1567.29   93.749  1514.19  180.051  1587.04  109.808   99.163   5.9767  101.880   3.5312 -2.717285 6.941967 
1 1 1    6    3   58 o   70.014   2.7880  749.115   59.580  723.288   96.040  765.272   75.965   68.563   4.6161   70.737   3.5184 -2.174149 5.804135 
1 1 1    6    3   59 o  230.755   4.4962  8159.19  316.674  8495.98  468.104  7874.99  430.007  234.943   6.5277  226.281   6.2260 8.662506 9.020788 
1 1 1    6    3   60 o  147.215   3.6779  3317.73  165.262  3585.75  244.759  3093.15  224.043  152.800   5.2481  141.930   5.1718 10.87015 7.368152 
1 1 1    6    3   61 o   78.234   3.7081  937.414   88.546  922.381   95.093  1035.45  242.839   77.475   4.0353   80.736   10.074 -3.261017 10.85187 
1 1 1    6    3   62 o  170.533   4.8934  4469.07  254.705  4122.50  509.233  4584.70  294.142  161.541   10.383  172.544   5.5852 -11.00354 11.78989 
1 1 1    6    4    0 o  225.303   10.774  7809.75  737.042  7809.75  737.042  7809.75  737.042  225.303   10.774  225.303   10.774 -0.000000 0.000000 
1 1 1    6    4    1 o  759.275   18.225 88617.63  4223.51 99810.05  7737.61 83867.73  5040.66  799.998   31.688  737.294   22.399 62.70435 38.80563 
1 1 1    6    4    2 o  344.712   6.7748 18152.22  712.809 17833.12  963.087 18538.76  1060.00  341.524   9.2391  348.162   9.9748 -6.638458 13.59623 
1 1 1    6    4    3 o  172.105   4.8623  4522.63  255.417  4321.92  295.961  5108.35  505.589  168.226   5.7640  182.798   9.0617 -14.57181 10.73958 
1 1 1    6    4    4 o  602.939   8.6306 55565.36  1588.29 54165.72  1976.21 58118.88  2669.29  595.026   10.881  615.826   14.201 -20.80054 17.89053 
1 1 1    6    4    5 o  180.447   7.1668  4974.21  394.721  5259.47  489.206  4442.05  668.177  185.506   8.6401  169.833   12.988 15.67294 15.59970 
1 1 1    6    4    6 o  296.557   12.742 13462.87  1153.39 14219.19  1643.54 12728.94  1619.03  303.819   17.801  287.279   18.564 16.53931 25.71943 
1 1 1    6    4    7 o  361.185   12.295 19962.62  1355.44 21344.85  1662.67 17224.02  2340.35  373.276   14.594  333.583   23.129 39.69208 27.34785 
1 1 1    6    4    8 o  309.280   19.812 14752.39  1860.39 14752.39  1860.39   0.0000   0.0000  309.280   19.812  ?   ?  0.000000 19.81189 
1 1 1    6    4    9 o  778.358   19.466 93005.97  4624.61 103705.60 11061.13 90739.43  5090.92  810.550   44.885  768.264   21.710 42.28656 49.85971 
1 1 1    6    4   10 o  382.968   5.9589 22394.21  696.537 22073.72  1134.06 22588.34  882.639  380.051   9.7764  384.565   7.5196 -4.513824 12.33377 
1 1 1    6    4   11 o  360.197   6.9418 19813.27  763.185 18894.08  1134.33 20573.47  1031.58  351.588   10.570  366.949   9.2104 -15.36105 14.02017 
1 1 1    6    4   12 o  283.818   5.4428 12298.13  471.497 12605.67  1612.01 12269.36  493.059  286.154   18.557  283.481   5.6985 2.673309 19.41191 
1 1 1    6    4   13 o  240.131   4.2697  8802.09  312.939  9495.51  486.763  8313.57  408.563  249.375   6.3951  233.351   5.7363 16.02403 8.590854 
1 1 1    6    4   14 o  772.927   12.643 91353.93  2982.59 91767.01  4398.90 91002.44  4057.77  773.775   18.626  770.781   17.248 2.994263 25.38523 
1 1 1    6    4   15 o  534.596   8.1669 43650.55  1332.59 42672.17  2239.11 44187.15  1658.24  528.167   13.889  537.756   10.103 -9.589844 17.17517 
1 1 1    6    4   16 o  530.508   7.9380 42983.26  1285.35 41937.00  2303.10 43456.55  1549.04  523.559   14.412  533.333   9.5158 -9.774170 17.27028 
1 1 1    6    4   17 o  811.080   11.890 100565.70  2943.41 97123.45  4947.39 102451.60  3662.01  795.776   20.369  818.289   14.662 -22.51300 25.09721 
1 1 1    6    4   18 o   35.453   3.7936  194.047   40.413  148.795   52.674  258.801   63.010   30.710   5.8328   40.849   5.1695 -10.13820 7.793923 
1 1 1    6    4   19 o  1066.44   26.562 175079.70  8646.10 177289.59 19337.35 174527.50  9666.12  1052.79   60.431  1063.58   29.776 -10.78345 67.36854 
1 1 1    6    4   20 o  410.356   12.709 25751.21  1591.86 23609.43  3187.97 26462.60  1837.31  390.631   26.902  415.859   14.475 -25.22806 30.54913 
1 1 1    6    4   21 o  628.759   11.438 60435.99  2195.03 61469.36  3104.01 59402.31  3104.47  633.589   16.051  622.808   16.331 10.78076 22.89835 
1 1 1    6    4   22 o  228.382   3.0887  7960.96  215.305  7804.81  304.294  8117.51  304.680  226.116   4.4091  230.602   4.3288 -4.486343 6.178831 
1 1 1    6    4   23 o  318.393   5.0302 15476.25  488.840 15284.75  615.405 15803.70  804.707  316.384   6.3728  321.651   8.1966 -5.267334 10.38255 
1 1 1    6    4   24 o  656.328   9.7323 65828.21  1949.65 63989.24  3278.03 66834.80  2425.23  646.266   16.618  661.094   12.019 -14.82849 20.50912 
1 1 1    6    4   25 o  403.252   6.9538 24834.02  855.884 25123.48  1263.77 24588.78  1163.27  405.430   10.213  401.133   9.5011 4.296600 13.94877 
1 1 1    6    4   26 o  158.551   2.8558  3836.90  138.204  3769.77  176.318  3943.84  222.560  157.152   3.6759  160.731   4.5366 -3.578766 5.838904 
1 1 1    6    4   27 o  359.726   5.3094 19757.10  582.959 19506.89  747.472 20145.59  931.400  357.388   6.8523  363.125   8.4036 -5.736328 10.84316 
1 1 1    6    4   28 o  353.882   4.5910 19118.65  495.889 18697.42  742.320 19458.12  666.393  349.883   6.9511  356.962   6.1163 -7.078888 9.258883 
1 1 1    6    4   29 o  513.213   7.9860 40242.06  1250.96 39712.09  1532.25 41301.43  2166.34  509.670   9.8497  519.350   13.666 -9.680206 16.84590 
1 1 1    6    4   30 o  952.803   13.930 139080.00  4051.13 140572.00  6039.38 137859.41  5462.31  955.683   20.704  947.086   18.896 8.597290 28.03087 
1 1 1    6    4   31 o  350.626   4.5853 18770.77  490.716 18887.82  694.752 18654.22  693.205  351.635   6.4732  349.453   6.4991 2.182556 9.172864 
1 1 1    6    4   32 o   60.257   3.4015  556.061   62.305  613.553   95.541  513.520   82.184   63.189   4.9945   57.800   4.6992 5.388638 6.857597 
1 1 1    6    4   33 o  486.700   9.1304 36243.36  1356.34   0.0000   0.0000 36243.36  1356.34  ?   ?   486.700   9.1304 0.000000 9.130404 
1 1 1    6    4   34 o  194.770   3.2213  5791.56  191.500  5353.26  384.720  5935.93  220.797  187.138   6.7354  197.172   3.6689 -10.03459 7.669858 
1 1 1    6    4   35 o  520.472   5.3085 41389.00  843.304 42363.19  1263.90 40607.29  1132.17  526.196   7.8695  515.283   7.1986 10.91345 10.66532 
1 1 1    6    4   36 o  424.977   4.9085 27592.80  636.698 27613.99  843.254 27564.69  971.069  424.964   6.5011  424.450   7.4956 0.5143127 9.922142 
1 1 1    6    4   37 o  427.495   7.2486 27962.16  945.809 29414.03  1934.40 27506.03  1084.25  436.761   14.511  423.809   8.3819 12.95169 16.75747 
1 1 1    6    4   38 o  539.256   7.2691 44501.79  1196.45 45344.61  1651.40 43570.59  1735.83  543.683   9.9515  532.735   10.675 10.94849 14.59431 
1 1 1    6    4   39 o  261.364   3.5043 10432.20  279.555 10485.49  419.114 10389.48  375.220  261.921   5.2426  260.757   4.7145 1.163879 7.050594 
1 1 1    6    4   40 o  406.460   6.5858 25277.04  817.034 26221.69  1118.45 24196.12  1196.41  413.560   8.8606  397.045   9.8724 16.51422 13.26550 
1 1 1    6    4   41 o  120.293   2.5873  2209.25   94.997  2268.52  131.885  2145.32  136.949  121.873   3.5454  118.511   3.7860 3.362053 5.186901 
1 1 1    6    4   42 o  532.586   6.8648 43420.45  1115.93 45349.54  1543.46 41307.62  1615.30  543.594   9.3026  518.508   10.207 25.08545 13.80987 
1 1 1    6    4   43 o  357.604   4.0480 19537.64  441.836 19708.90  625.170 19366.73  624.531  358.972   5.7059  355.836   5.7503 3.135864 8.100757 
1 1 1    6    4   44 o  160.271   3.6422  3923.74  178.172  4004.06  250.388  3841.35  253.588  161.834   5.0691  158.501   5.2418 3.332214 7.291893 
1 1 1    6    4   45 f  261.242   5.0985 10434.51  406.539 10485.63  570.193 10381.65  579.794  261.650   7.1398  260.328   7.2969 1.321411 10.20884 
1 1 1    6    4   46 o  132.458   3.1595  2679.48  127.736  2490.36  237.490  2756.46  151.520  127.573   6.0991  134.329   3.6956 -6.755890 7.131392 
1 1 1    6    4   47 o  257.197   3.6602 10105.13  287.334 10414.57  524.300  9972.30  343.513  260.822   6.5860  255.445   4.4058 5.376251 7.923778 
1 1 1    6    4   48 o  158.849   2.5664  3852.72  124.430  3932.77  199.911  3802.10  158.979  160.430   4.0826  157.776   3.3013 2.653625 5.250311 
1 1 1    6    4   49 o   75.612   3.1641  873.196   73.024  810.377  112.538  918.882   95.972   72.618   5.1099   77.438   4.0748 -4.820641 6.535685 
1 1 1    6    4   50 o  331.179   5.3337 16777.52  539.153 16707.32  651.184 16930.54  961.414  330.306   6.4591  331.849   9.4919 -1.542572 11.48111 
1 1 1    6    4   51 o   73.181   3.8106  820.549   84.822  746.038  131.660  873.419  110.905   69.518   6.2725   75.419   4.8434 -5.901535 7.924874 
1 1 1    6    4   52 o   34.439   5.8025  186.532   58.825  171.080   85.561  200.383   81.009   32.763   8.4877   35.458   7.7053 -2.694874 11.46353 
1 1 1    6    4   53 o  122.913   4.8336  2311.12  181.335  2300.93  192.315  2392.85  544.462  122.623   5.1384  123.024   14.797 -0.4006805 15.66337 
1 1 1    6    4   54 o  202.582   3.3353  6270.92  206.230  6332.11  239.642  6096.23  404.911  203.525   3.8577  199.371   6.6540 4.154358 7.691358 
1 1 1    6    4   55 o  197.256   3.5026  5947.12  210.883  6008.34  321.331  5900.81  279.494  198.073   5.3151  196.371   4.6631 1.701630 7.070727 
1 1 1    6    4   56 o   97.014   3.9706  1439.49  117.573  1522.61  164.748  1353.21  167.842   99.534   5.4435   93.757   5.8952 5.777115 8.024035 
1 1 1    6    4   57 o  173.613   4.0448  4611.77  214.338  4844.66  944.380  4599.12  220.081  172.954   18.161  173.363   4.1592 -0.4089813 18.63090 
1 1 1    6    4   58 f  237.244   3.9681  8614.00  287.340  9610.29  530.854  8201.14  341.728  249.856   6.9610  231.329   4.8399 18.52679 8.478154 
1 1 1    6    4   59 o  274.652   4.5242 11560.99  379.265 13738.96  1137.84 11288.77  402.270  295.194   12.629  271.311   4.8577 23.88290 13.53065 
1 1 1    6    4   60 o  152.846   3.0566  3573.20  142.598  3593.43  177.119  3535.92  240.412  153.187   3.7881  151.730   5.1912 1.457108 6.426402 
1 1 1    6    4   61 o  157.011   3.1465  3772.25  150.790  3840.01  191.006  3660.17  245.662  158.294   3.9533  154.305   5.2160 3.989487 6.544925 
1 1 1    6    4   62 o   68.377   2.5635  714.928   53.500  752.860   64.860  634.176   94.634   70.141   3.0296   64.055   4.8770 6.086159 5.741449 
1 1 1    6    5    0 o  688.840   17.524 72770.63  3679.03 72770.63  3679.03 72770.63  3679.03  688.840   17.524  688.840   17.524 0.000000 0.000000 
1 1 1    6    5    1 o  261.821   5.2826 10467.08  422.155 10407.58  570.602 10539.05  627.478  261.017   7.1622  262.636   7.8276 -1.618530 10.60982 
1 1 1    6    5    2 o  679.610   16.212 70832.69  3362.83 70015.09  3645.21 75504.90  8713.93  675.363   17.683  691.234   41.494 -15.87067 45.10508 
1 1 1    6    5    3 o  563.823   12.691 48658.61  2183.97 49617.35  4002.90 48252.25  2606.02  567.408   23.113  561.100   15.217 6.307678 27.67263 
1 1 1    6    5    4 o  815.436   16.903 101991.50  4206.87 103224.40  8260.84 101559.80  4888.20  814.485   33.230  812.974   19.700 1.510681 38.62996 
1 1 1    6    5    5 o  203.158   6.2545  6302.92  387.831  6399.71  502.835  6160.79  609.332  204.667   8.0493  200.752   9.9444 3.914856 12.79383 
1 1 1    6    5    6 o  222.013   5.5668  7525.96  377.225  7591.87  409.224  7153.30  973.116  222.973   6.0130  215.604   14.878 7.369507 16.04756 
1 1 1    6    5    7 o  867.834   32.839 116862.40  8698.45 129967.60 12310.97 103797.60 12291.97  909.040   44.370  807.734   50.105 101.3056 66.92736 
1 1 1    6    5    8 o  695.487   24.989 74494.93  5304.69 86195.02  7513.75 62868.02  7490.22  745.591   33.017  633.713   38.913 111.8776 51.03257 
1 1 1    6    5    9 o  396.397   6.3728 23993.69  771.036 43605.51  1143.31  7633.40  1044.24  534.351   7.0100  222.743   15.455 311.6083 16.97063 
1 1 1    6    5   10 o  572.106   10.306 50022.24  1799.66 50783.36  5823.46 49941.88  1892.29  571.590   33.526  571.602   10.846 -0.1202393E-01 35.23693 
1 1 1    6    5   11 o  535.065   12.319 43778.57  2011.92 43480.79  2399.78 44482.99  3690.95  533.012   14.751  538.111   22.472 -5.098877 26.88113 
1 1 1    6    5   12 o  358.748   6.9863 19653.27  764.984 19142.73  1136.88 20075.68  1034.11  353.920   10.524  362.495   9.3465 -8.575348 14.07540 
1 1 1    6    5   13 o  439.728   7.8745 29531.67  1056.88 28696.24  1494.43 30367.58  1494.87  433.288   11.300  445.746   10.987 -12.45847 15.76122 
1 1 1    6    5   14 o  250.495   5.5043  9579.55  420.841  9724.00  1253.79  9561.21  446.760  251.480   16.425  250.249   5.8490 1.230988 17.43502 
1 1 1    6    5   15 f  358.258   5.8541 19595.57  640.134 18588.49  1146.18 20052.09  771.703  348.760   10.767  362.376   6.9771 -13.61612 12.83026 
1 1 1    6    5   16 o  628.250   8.2011 60284.09  1572.61 60293.35  2282.25 60275.71  2170.01  628.016   11.906  627.976   11.321 0.4064941E-01 16.42967 
1 1 1    6    5   17 o  374.061   5.4891 21361.43  626.705 21153.42  909.580 21549.42  864.711  372.158   8.0075  375.642   7.5419 -3.483856 10.99999 
1 1 1    6    5   18 o  435.654   7.6967 28986.12  1023.44 30235.03  2554.21 28747.25  1117.03  444.128   18.842  433.824   8.4360 10.30423 20.64445 
1 1 1    6    5   19 o  627.282   10.899 60140.70  2086.78 59340.90  3076.72 60822.05  2839.80  622.532   16.192  630.430   14.758 -7.898499 21.90883 
1 1 1    6    5   20 o  347.715   6.7683 18462.57  718.327 18515.33  1066.96 18418.83  971.474  348.086   10.043  347.216   9.1667 0.8703003 13.59714 
1 1 1    6    5   21 o  321.828   6.1044 15814.38  599.635 15523.09  658.902 17218.59  1446.67  318.832   6.7708  335.449   14.130 -16.61633 15.66802 
1 1 1    6    5   22 o  324.771   5.4627 16103.52  541.502 16636.50  766.291 15571.89  765.310  330.039   7.6070  319.296   7.8528 10.74292 10.93312 
1 1 1    6    5   23 o  814.813   10.508 101479.80  2613.40 105687.10  3696.69 97276.20  3695.11  830.935   14.576  797.083   15.188 33.85181 21.05072 
1 1 1    6    5   24 o  515.552   9.0863 40611.77  1429.80 42349.98  2109.55 39134.75  1944.60  526.125   13.137  505.810   12.596 20.31500 18.19957 
1 1 1    6    5   25 o  310.207   6.0464 14693.62  572.484 15049.16  843.229 14389.62  779.726  313.842   8.8027  306.907   8.3237 6.935455 12.11498 
1 1 1    6    5   26 o  834.688   10.464 106505.50  2665.99 109808.40  4589.71 104823.70  3275.17  846.181   17.771  827.696   12.964 18.48486 21.99701 
1 1 1    6    5   27 o  663.396   7.2662 67221.31  1471.29 66632.63  2080.95 67809.75  2080.50  660.194   10.327  666.011   10.235 -5.816284 14.53934 
1 1 1    6    5   28 o  496.672   7.1694 37680.46  1086.85 38012.26  1331.49 37017.99  1881.40  498.744   8.7467  491.832   12.533 6.911835 15.28314 
1 1 1    6    5   29 o  409.158   5.4482 25563.16  680.395 25834.36  920.265 25236.17  1010.50  411.228   7.3318  406.390   8.1466 4.837677 10.96006 
1 1 1    6    5   30 o  488.148   8.1685 36417.36  1217.06 36686.06  1606.81 36055.73  1864.06  489.690   10.750  485.243   12.586 4.446594 16.55218 
1 1 1    6    5   31 o   41.623   3.0938  265.918   39.023  341.347   84.073  245.206   44.056   46.890   6.0129   39.910   3.6573 6.979767 7.037842 
1 1 1    6    5   32 o  280.862   6.5473 12053.46  561.273 12916.32  1565.72 11926.23  601.231  289.062   17.833  279.349   7.0514 9.713074 19.17680 
1 1 1    6    5   33 o  350.560   5.6882 18775.22  608.632 17584.82  1090.58 19313.68  733.478  338.815   10.546  355.471   6.7603 -16.65640 12.52660 
1 1 1    6    5   34 o  106.398   2.7878  1728.16   90.534  2024.24  289.538  1696.07   95.314  114.716   8.3260  105.404   2.9627 9.312279 8.837360 
1 1 1    6    5   35 o  171.527   2.5677  4491.38  134.429  4523.75  177.676  4448.04  205.584  172.126   3.3819  170.665   3.9467 1.461746 5.197461 
1 1 1    6    5   36 o  656.849   9.8210 66147.37  1968.97 69869.60  5602.99 65622.94  2103.10  664.641   27.620  654.014   10.536 10.62640 29.56070 
1 1 1    6    5   37 o  175.379   3.3693  4696.68  180.355  4914.98  283.934  4549.03  233.515  179.337   5.1872  172.563   4.4335 6.773697 6.823699 
1 1 1    6    5   38 o  477.536   7.6129 34910.52  1109.61 34705.39  1246.33 35694.62  2436.79  475.931   8.5797  480.053   16.631 -4.122620 18.71341 
1 1 1    6    5   39 o  253.446   4.7941  9815.85  370.858 10106.30  526.501  9529.83  522.468  257.007   6.7118  249.555   6.8592 7.451706 9.596735 
1 1 1    6    5   40 o  286.836   4.0252 12568.37  352.402 12396.00  488.496 12755.42  508.873  284.730   5.6210  288.814   5.7726 -4.083252 8.057201 
1 1 1    6    5   41 f   81.924   2.7912  1024.77   69.796  1026.23  107.092  1023.70   92.024   81.842   4.3022   81.866   3.6828 -0.2416992E-01 5.663215 
1 1 1    6    5   42 o  361.850   5.4940 20022.26  606.789 20225.66  905.522 19856.48  817.476  363.244   8.1674  360.049   7.4387 3.195190 11.04718 
1 1 1    6    5   43 o  348.292   5.5945 18552.74  594.738 18556.16  752.104 18547.02  971.605  348.100   7.0788  347.612   9.1575 0.4875183 11.57449 
1 1 1    6    5   44 o  286.078   4.1675 12505.11  363.896 12655.56  501.766 12338.18  528.530  287.639   5.7153  283.964   6.0980 3.674744 8.357633 
1 1 1    6    5   45 o   76.509   3.2683  894.024   76.323  1062.19  500.596  890.023   77.226   80.702   20.332   76.337   3.3144 4.364777 20.60057 
1 1 1    6    5   46 f  207.018   3.6383  6546.67  229.891  6936.75  427.626  6388.11  272.641  212.866   6.5817  204.453   4.3690 8.412857 7.899841 
1 1 1    6    5   47 o   98.854   2.5656  1492.06   77.410  1169.71  273.738  1520.08   80.704   86.564   10.581   99.776   2.6500 -13.21258 10.90756 
1 1 1    6    5   48 o  378.312   7.9297 21946.12  915.633 22404.39  1920.32 21811.27  1041.67  379.207   16.591  376.875   9.0556 2.332092 18.90170 
1 1 1    6    5   49 o  142.261   3.5654  3091.71  154.815  3053.07  161.877  3505.80  529.933  141.362   3.7518  150.321   11.641 -8.959229 12.23048 
1 1 1    6    5   50 o  130.445   2.9641  2598.76  118.018  2577.30  148.009  2636.24  195.558  129.878   3.7337  131.300   4.8797 -1.422287 6.144252 
1 1 1    6    5   51 o   72.095   2.1556  793.557   47.434  810.407   76.918  783.215   60.257   72.832   3.4601   71.614   2.7567 1.218239 4.423970 
1 1 1    6    5   52 o   93.810   2.4242  1343.80   69.413  1297.29  112.679  1372.25   88.119   92.127   4.0072   94.782   3.0460 -2.655426 5.033420 
1 1 1    6    5   53 o  214.617   3.2979  7037.42  216.034  7146.84  260.374  6795.69  387.020  216.225   3.9452  210.617   6.0204 5.608444 7.197897 
1 1 1    6    5   54 o   96.158   3.5638  1413.18  104.595  1346.99  120.716  1612.58  209.504   93.851   4.2141  102.305   6.7472 -8.453156 7.955118 
1 1 1    6    5   55 o  163.059   3.6496  4064.64  181.638  4160.54  216.245  3834.85  334.729  164.917   4.2960  158.030   6.9396 6.887421 8.161751 
1 1 1    6    5   56 o   79.615   2.5424  968.233   61.782  909.768  104.774  999.398   76.497   76.969   4.4792   80.868   3.0992 -3.898766 5.446872 
1 1 1    6    5   57 o  107.738   2.7731  1773.67   91.192  1712.27  202.323  1789.32  102.157  105.394   6.3186  108.196   3.0934 -2.802177 7.035220 
1 1 1    6    5   58 o  149.950   3.7114  3440.38  169.866  3965.80  702.615  3407.77  175.059  157.378   14.801  149.224   3.8435 8.154343 15.29184 
1 1 1    6    5   59 o   20.252   5.3370   65.245   33.454  106.460   71.365   53.637   37.874   26.243   8.0991   18.798   5.9164 7.445246 10.02991 
1 1 1    6    5   60 o  101.158   3.3249  1565.92  102.659  1780.69  271.220  1530.01  110.911  106.782   8.3892   99.964   3.6351 6.817299 9.142856 
1 1 1    6    5   61 o   48.420   10.517  382.143  150.986  357.103  191.646  423.118  245.155   46.575   12.991   50.554   14.886 -3.978756 19.75692 
1 1 1    6    6    0 o  286.507   7.9018 12562.22  689.810 12562.22  689.810 12562.22  689.810  286.507   7.9018  286.507   7.9018 0.000000 0.000000 
1 1 1    6    6    1 f  836.183   14.983 107088.40  3823.91 108182.10  5407.90 105994.90  5407.75  838.966   21.119  830.381   21.336 8.585205 30.02072 
1 1 1    6    6    2 o  457.670   15.451 32086.28  2158.34 31999.11  2643.44 32260.62  3738.31  456.615   18.967  456.402   26.955 0.2130737 32.95959 
1 1 1    6    6    3 o  439.651   8.1459 29528.98  1093.11 29000.74  1476.85 30169.01  1625.61  435.508   11.110  444.124   11.992 -8.615479 16.34771 
1 1 1    6    6    4 o  587.035   13.909 52744.38  2492.20 52113.02  2701.29 56355.63  6460.48  583.351   15.171  601.071   35.370 -17.72009 38.48686 
1 1 1    6    6    5 o  477.543   10.945 34863.28  1595.26 33758.55  1853.18 38024.21  3134.70  469.755   12.925  497.617   20.639 -27.86230 24.35182 
1 1 1    6    6    6 o  486.626   8.7950 36178.91  1306.31 36446.88  1367.58 33387.73  4413.72  488.401   9.1740  463.474   31.386 24.92661 32.69886 
1 1 1    6    6    7 o   98.328   3.3561  1475.73  100.723  1432.62  106.212  1860.79  317.427   96.880   3.5919  109.939   9.5547 -13.05903 10.20754 
1 1 1    6    6    8 o  252.967   5.1141  9769.38  394.868  9760.57  415.375  9852.01  1272.44  252.848   5.3822  253.077   16.564 -0.2291565 17.41663 
1 1 1    6    6    9 o  324.272   7.9879 16060.90  790.606 16267.05  871.070 15097.18  1883.38  326.319   8.7457  313.103   19.810 13.21707 21.65443 
1 1 1    6    6   10 o  225.361   6.9720  7755.53  479.571  7755.53  479.571   0.0000   0.0000  225.361   6.9720  ?   ?  0.000000 6.972001 
1 1 1    6    6   11 o  184.937   14.303  5264.01  801.112  5264.01  801.112   0.0000   0.0000  184.937   14.303  ?   ?  0.000000 14.30349 
1 1 1    6    6   12 o  739.634   18.012 83819.65  4066.26 83916.10  4477.01 83365.22  9718.03  739.749   19.828  729.313   43.860 10.43591 48.13403 
1 1 1    6    6   13 o  309.517   5.9990 14626.68  566.736 14590.54  841.384 14656.70  766.773  309.053   8.9196  309.779   8.1096 -0.7256470 12.05503 
1 1 1    6    6   14 o  464.184   7.2114 32903.21  1021.70 34274.77  1663.69 32072.73  1294.58  473.530   11.511  458.195   9.2568 15.33499 14.77122 
1 1 1    6    6   15 o  425.933   6.7432 27701.89  876.651 27625.46  1110.46 27828.32  1428.19  425.274   8.5550  426.711   10.966 -1.437103 13.90801 
1 1 1    6    6   16 o  861.521   12.877 113501.20  3385.98 113636.10  5511.94 113419.40  4291.09  860.590   20.984  860.679   16.335 -0.8947754E-01 26.59237 
1 1 1    6    6   17 o  263.957   6.0905 10637.84  490.685 11316.58  1378.11 10539.30  525.098  271.326   16.722  262.722   6.5483 8.604095 17.95881 
1 1 1    6    6   18 o  677.136   10.866 70080.13  2245.69 67366.70  3645.76 71739.14  2850.70  663.023   18.015  684.807   13.638 -21.78363 22.59557 
1 1 1    6    6   19 o  387.409   8.9741 22929.01  1061.16 22818.95  1263.18 23192.95  1956.12  386.392   10.711  389.147   16.469 -2.755127 19.64549 
1 1 1    6    6   20 o  585.593   17.079 52538.51  3052.56 53922.16  4319.83 51158.51  4314.12  592.146   23.901  576.659   24.511 15.48767 34.23515 
1 1 1    6    6   21 o  748.151   10.623 85554.24  2425.87 84372.34  3271.03 86998.84  3616.30  742.478   14.434  753.745   15.719 -11.26727 21.34063 
1 1 1    6    6   22 o  624.138   8.5338 59510.91  1625.70 58666.35  2048.78 60946.69  2671.32  619.499   10.835  631.089   13.868 -11.59094 17.59909 
1 1 1    6    6   23 o  793.298   13.577 96299.27  3287.49 95137.62  5120.38 97113.95  4288.01  786.958   21.317  795.912   17.651 -8.954163 27.67661 
1 1 1    6    6   24 o  591.024   8.8087 53370.52  1589.04 51143.80  2850.39 54374.61  1914.06  577.771   16.163  596.411   10.515 -18.63989 19.28238 
1 1 1    6    6   25 o  355.138   4.6920 19254.32  508.600 19078.33  781.368 19383.70  669.954  353.428   7.2433  356.285   6.1607 -2.857208 9.508951 
1 1 1    6    6   26 o  228.421   3.5376  7964.28  246.640  8105.81  390.704  7870.52  318.015  230.407   5.5557  227.057   4.5888 3.350571 7.205695 
1 1 1    6    6   27 o   98.949   2.6757  1494.38   80.808  1488.97  103.835  1502.69  128.683   98.765   3.4445   99.214   4.2494 -0.4489059 5.470097 
1 1 1    6    6   28 o  540.868   6.4483 44679.47  1064.51 42430.02  1593.35 46493.01  1430.66  526.798   9.9094  551.578   8.4979 -24.77979 13.05418 
1 1 1    6    6   29 o  382.441   6.7369 22342.13  786.392 21769.97  1071.54 23009.99  1157.70  377.352   9.3035  387.914   9.7779 -10.56192 13.49671 
1 1 1    6    6   30 o  636.566   8.5528 61947.71  1661.76 60446.17  2293.88 63605.97  2410.62  628.286   11.962  644.444   12.255 -16.15845 17.12538 
1 1 1    6    6   31 o  278.890   4.3846 11876.38  373.233 11326.53  491.679 12624.05  573.345  272.299   5.9159  287.442   6.5350 -15.14352 8.815008 
1 1 1    6    6   32 o  672.616   10.953 69309.61  2248.60 70885.95  4760.80 68856.98  2551.08  675.770   23.082  670.034   12.474 5.735657 26.23662 
1 1 1    6    6   33 o  507.881   7.7958 39453.66  1208.48 39857.88  2031.55 39232.29  1503.39  509.443   13.065  506.137   9.7317 3.305725 16.29122 
1 1 1    6    6   34 o  300.550   5.3264 13801.84  488.619 13742.14  691.782 13861.28  690.244  299.718   7.5620  301.019   7.5126 -1.301117 10.65945 
1 1 1    6    6   35 o  287.088   4.9436 12592.45  433.187 12569.47  592.728 12618.80  634.657  286.684   6.7738  287.203   7.2399 -0.5186157 9.914709 
1 1 1    6    6   36 o  173.964   2.8724  4620.44  152.518  4710.39  217.313  4533.12  214.110  175.613   4.0543  172.276   4.0719 3.336731 5.746055 
1 1 1    6    6   37 o  375.020   5.0037 21491.68  572.750 21778.81  1012.91 21356.72  694.426  376.995   8.8027  373.722   6.0878 3.273285 10.70278 
1 1 1    6    6   38 o  244.275   4.2888  9115.75  319.767  9417.28  618.939  9005.97  373.471  247.947   8.1785  242.752   5.0405 5.194321 9.607005 
1 1 1    6    6   39 o  223.680   2.6239  7638.70  179.137  7600.52  268.956  7669.15  240.159  223.063   3.9503  224.090   3.5112 -1.026459 5.285265 
1 1 1    6    6   40 o  335.563   4.5117 17206.18  462.094 16781.06  654.095 17629.75  652.907  331.170   6.4710  339.464   6.3014 -8.293884 9.032290 
1 1 1    6    6   41 o  138.974   2.9228  2949.17  123.978  2684.48  200.893  3111.98  157.561  132.522   4.9666  142.738   3.6165 -10.21613 6.143825 
1 1 1    6    6   42 o  201.803   3.4531  6220.02  212.694  6189.42  271.353  6268.79  342.516  201.254   4.4175  202.463   5.5427 -1.209396 7.087664 
1 1 1    6    6   43 o  234.367   3.2233  8388.71  230.577  8459.97  296.743  8280.13  366.303  235.305   4.1317  232.714   5.1571 2.591827 6.608055 
1 1 1    6    6   44 o  205.796   2.9274  6467.31  183.882  6248.09  283.709  6626.12  241.465  202.187   4.5973  208.263   3.7986 -6.076324 5.963609 
1 1 1    6    6   45 o  291.665   4.4670 13001.13  397.665 13038.63  1191.69 12996.43  421.846  290.408   13.444  291.586   4.7399 -1.178467 14.25536 
1 1 1    6    6   46 o  209.200   4.3606  6688.26  278.439  6340.62  405.123  6999.49  383.325  203.516   6.5218  213.892   5.8716 -10.37535 8.775538 
1 1 1    6    6   47 o  241.538   4.7664  8918.52  351.394  9166.60  1194.92  8895.04  367.651  242.187   16.259  241.199   4.9939 0.9880676 17.00875 
1 1 1    6    6   48 o   89.737   6.7941  1240.34  184.711  1250.33  260.734  1230.27  261.709   89.679   9.6790   88.927   9.8051 0.7520752 13.77762 
1 1 1    6    6   49 o  142.368   3.0112  3095.51  130.850  3074.92  135.034  3412.46  529.772  141.890   3.1180  148.238   11.807 -6.347961 12.21149 
1 1 1    6    6   50 o  396.538   5.1117 24051.44  618.683 24911.66  1096.01 23649.14  749.517  402.636   8.9183  392.987   6.2486 9.648193 10.88955 
1 1 1    6    6   51 o  314.523   4.9838 15131.98  478.438 15743.59  678.497 14527.12  674.746  320.469   6.9366  307.790   7.1824 12.67941 9.985120 
1 1 1    6    6   52 o  102.297   2.6181  1598.12   81.744  1654.67  155.856  1576.66   96.009  104.000   4.9099  101.593   3.0962 2.406761 5.804609 
1 1 1    6    6   53 o  199.577   2.6365  6083.30  160.604  6561.83  277.089  5841.21  197.087  207.138   4.3827  195.523   3.3025 11.61554 5.487680 
1 1 1    6    6   54 o   87.518   2.7475  1169.99   73.393  1193.56   97.507  1139.18  111.476   88.366   3.6152   86.304   4.2319 2.062004 5.565834 
1 1 1    6    6   55 o  110.184   3.4482  1855.75  115.967  1861.16  136.177  1841.48  221.222  110.311   4.0445  109.322   6.6617 0.9896317 7.793318 
1 1 1    6    6   56 o   42.341   3.7194  276.277   47.581  276.669  130.799  276.217   51.081   41.441   10.367   42.304   4.0036 -0.8633003 11.11312 
1 1 1    6    6   57 o  121.686   3.8435  2265.57  142.754   0.0000   0.0000  2265.57  142.754  ?   ?   121.686   3.8435 0.000000 3.843528 
1 1 1    6    6   58 o   39.380   5.2084  242.026   61.067  297.252   99.056  208.168   77.559   43.233   7.7934   36.109   7.2883 7.123306 10.67040 
1 1 1    6    6   59 o  197.470   4.0272  5973.07  242.726  6185.54  348.854  5773.68  337.940  200.580   5.6982  193.784   5.7135 6.796631 8.069336 
1 1 1    6    6   60 o  162.383   3.6228  4037.78  179.558  4453.74  263.262  3675.97  245.530  170.267   5.0657  154.659   5.2013 15.60757 7.260518 
1 1 1    6    6   61 o   77.158   5.6637  921.769  132.450  934.106  148.254  872.984  294.816   77.541   6.3191   72.623   13.805 4.917732 15.18240 
1 1 1    6    7    0 o   24.254   9.9689  125.744   72.970  125.744   72.970  125.744   72.970   24.254   9.9689   24.254   9.9689 0.000000 0.000000 
1 1 1    6    7    1 o  396.215   8.8490 23983.84  1070.15 26250.59  2104.51 23193.31  1242.82  413.947   16.657  389.547   10.453 24.39954 19.66490 
1 1 1    6    7    2 o  363.578   6.6015 20185.67  732.589 20848.14  1036.19 19523.60  1035.88  369.393   9.1904  357.452   9.4946 11.94080 13.21403 
1 1 1    6    7    3 o  565.926   9.9207 48942.54  1713.64 49334.79  2423.57 48550.36  2423.33  567.815   13.984  563.271   14.095 4.544189 19.85532 
1 1 1    6    7    4 o  196.150   6.1980  5874.74  371.071  5774.68  401.781  6455.22  967.739  194.463   6.7692  204.741   15.603 -10.27832 17.00842 
1 1 1    6    7    5 o  488.927   20.509 36685.20  3060.54 36685.20  3060.54   0.0000   0.0000  488.927   20.509  ?   ?  0.000000 20.50861 
1 1 1    6    7    6 o  621.757   37.342 60273.61  7053.71 60273.61  7053.71   0.0000   0.0000  621.757   37.342  ?   ?  0.000000 37.34196 
1 1 1    6    7    7 o  254.223   6.9212  9869.23  537.046  9285.04  640.151 11257.42  986.801  246.546   8.5068  271.351   11.915 -24.80537 14.63985 
1 1 1    6    7    8 o  136.913   3.5937  2861.20  150.176  2804.70  157.675  3413.08  492.814  135.553   3.8110  149.038   10.909 -13.48470 11.55581 
1 1 1    6    7    9 o  182.933   6.7610  5109.98  377.502  4614.58  415.386  7460.30  904.768  173.823   7.8294  220.436   13.513 -46.61317 15.61692 
1 1 1    6    7   10 o  986.007   59.896 155385.09 17940.46 155385.09 17940.46   0.0000   0.0000  986.007   59.896  ?   ?  0.000000 59.89607 
1 1 1    6    7   13 o  773.158   30.950 92288.46  7303.87 99204.80 10337.94 85395.39 10320.53  796.424   42.683  737.255   46.095 59.16895 62.82186 
1 1 1    6    7   14 o  255.257   5.1842  9946.81  403.898 10319.41  548.052  9503.88  597.549  259.960   6.9071  249.456   7.8481 10.50470 10.45470 
1 1 1    6    7   15 o  402.666   7.1620 24760.22  880.236 25317.93  1370.74 24368.86  1148.28  406.997   11.034  399.378   9.4199 7.619232 14.50833 
1 1 1    6    7   16 o  284.491   6.7153 12358.69  583.109 16214.63  1634.17 11796.11  624.198  324.976   16.530  277.924   7.3583 47.05203 18.09348 
1 1 1    6    7   17 o  714.021   10.561 77918.05  2301.67 76397.98  4258.87 78545.21  2735.57  705.744   19.771  716.680   12.506 -10.93610 23.39415 
1 1 1    6    7   18 o  324.214   6.1276 16049.72  606.373 16320.79  894.741 15819.47  824.626  326.848   8.9688  321.810   8.3954 5.037720 12.28504 
1 1 1    6    7   19 o  583.891   10.133 52102.25  1805.83 52109.66  2663.25 52095.95  2456.87  583.453   14.955  583.508   13.795 -0.5517578E-01 20.34584 
1 1 1    6    7   20 o  406.373   6.2293 25215.78  772.642 25018.90  1010.51 25492.89  1198.83  404.705   8.1806  408.448   9.6162 -3.743073 12.62513 
1 1 1    6    7   21 o  558.593   8.0278 47662.63  1368.71 48614.99  1791.73 46328.12  2120.95  563.969   10.409  550.344   12.626 13.62500 16.36361 
1 1 1    6    7   22 o  181.383   3.7508  5021.92  207.653  5295.88  334.671  4850.42  264.785  186.237   5.8876  178.246   4.8669 7.990280 7.638749 
1 1 1    6    7   23 o  471.486   8.0413 33958.41  1157.21 33539.97  1774.97 34267.75  1526.14  468.257   12.419  473.462   10.561 -5.204987 16.30224 
1 1 1    6    7   24 o  582.719   11.449 51926.65  2036.33 49056.74  4258.06 52777.64  2318.67  564.289   24.723  587.310   12.935 -23.02100 27.90179 
1 1 1    6    7   25 o  340.683   6.9535 17726.80  723.055 18363.01  1240.61 17399.53  889.804  346.491   11.731  337.452   8.6390 9.039764 14.56857 
1 1 1    6    7   26 o  531.464   8.7015 43162.15  1411.52 43598.64  1997.75 42727.02  1994.63  533.801   12.262  528.427   12.367 5.374573 17.41506 
1 1 1    6    7   27 o  379.694   5.7440 22015.18  665.683 22483.98  1067.10 21716.51  851.732  383.537   9.1155  377.033   7.4013 6.503265 11.74186 
1 1 1    6    7   28 o  246.068   5.3529  9245.95  402.029  9626.27  745.438  9089.95  477.412  250.908   9.7338  243.952   6.4117 6.955887 11.65571 
1 1 1    6    7   29 o  111.234   2.5855  1888.55   87.780  1901.38  139.939  1880.22  112.713  111.598   4.1084  110.983   3.3274 0.6151047 5.286768 
1 1 1    6    7   30 o  305.639   5.1543 14266.46  480.833 15038.09  920.557 13976.96  563.865  313.518   9.6199  302.479   6.1075 11.03931 11.39493 
1 1 1    6    7   31 o  433.530   6.5695 28721.71  869.294 29073.90  1462.04 28529.13  1081.16  435.651   10.995  431.911   8.2012 3.739655 13.71694 
1 1 1    6    7   32 o  190.559   3.2317  5543.80  187.966  5830.98  291.665  5339.80  245.824  195.384   4.8908  186.992   4.3071 8.392227 6.516953 
1 1 1    6    7   33 o  262.983   5.8543 10569.45  469.918 10595.19  988.219 10561.93  534.177  262.669   12.326  262.835   6.6586 -0.1653137 14.00967 
1 1 1    6    7   34 o   48.786   3.2750  365.049   48.484  378.812   69.401  351.928   67.763   49.581   4.6399   47.766   4.7091 1.814762 6.610981 
1 1 1    6    7   35 f  465.390   5.2299 33098.22  742.899 33254.34  1287.34 33020.27  909.648  465.862   9.0536  464.685   6.4135 1.177765 11.09508 
1 1 1    6    7   36 o   72.109   2.5800  793.815   56.783  833.928  104.208  776.875   67.720   73.734   4.6543   71.330   3.1105 2.403511 5.598002 
1 1 1    6    7   37 o   95.329   2.3086  1387.29   67.174  1445.49   94.723  1328.40   95.276   97.295   3.1897   93.269   3.3468 4.026535 4.623307 
1 1 1    6    7   38 o  552.339   7.7666 46722.14  1309.34 46821.39  1694.41 46575.05  2062.87  552.273   10.052  550.022   12.288 2.250244 15.87547 
1 1 1    6    7   39 o  230.645   3.6489  8125.09  256.878  8143.92  279.457  8022.44  652.347  230.895   3.9654  228.664   9.3468 2.230377 10.15318 
1 1 1    6    7   40 o   92.545   2.8923  1307.75   81.698  1312.44   97.945  1297.03  148.120   92.700   3.4617   91.954   5.2999 0.7457047 6.330249 
1 1 1    6    7   41 o   90.859   3.3282  1260.81   92.298  1186.82  124.907  1349.80  136.986   87.998   4.6672   93.851   4.7981 -5.853081 6.693612 
1 1 1    6    7   42 o  125.446   2.6123  2402.73  100.022  2424.36  144.799  2382.99  138.329  125.977   3.7658  124.902   3.6285 1.075150 5.229450 
1 1 1    6    7   43 o  525.028   7.7933 42249.63  1248.88 42266.30  1333.44 42130.55  3563.85  524.973   8.3218  516.111   22.623 8.861694 24.10545 
1 1 1    6    7   44 o  256.438   4.5636 10050.89  357.198 10034.25  505.221 10067.53  505.089  256.032   6.4650  256.458   6.4526 -0.4256897 9.134148 
1 1 1    6    7   45 o  217.267   2.9707  7208.67  197.003  7433.72  308.105  7053.02  256.224  220.535   4.5772  214.859   3.9071 5.676804 6.017983 
1 1 1    6    7   46 o  191.043   5.4981  5582.40  320.600  6460.61  838.086  5431.86  346.992  203.937   13.541  188.406   6.0340 15.53122 14.82460 
1 1 1    6    7   47 o  184.448   3.8963  5198.02  219.351  4066.67  720.449  5313.61  230.284  161.248   14.804  186.479   4.0459 -25.23094 15.34659 
1 1 1    6    7   48 o   89.758   2.5860  1230.18   70.847  1215.68   73.598  1413.26  261.568   89.226   2.7025   95.493   9.0836 -6.267815 9.477091 
1 1 1    6    7   49 o   81.820   2.4068  1022.15   60.106  959.289   84.175  1087.55   85.856   79.243   3.4802   84.377   3.3337 -5.134857 4.819290 
1 1 1    6    7   50 o   62.639   3.6299  601.521   69.102  510.111  106.085  668.891   91.074   57.391   6.1520   65.986   4.5497 -8.594944 7.651596 
1 1 1    6    7   51 o  176.254   2.8058  4744.59  150.943  4962.78  221.336  4554.90  206.379  180.189   4.0245  172.632   3.9168 7.556274 5.615801 
1 1 1    6    7   52 o  119.881   2.2143  2194.37   81.020  2207.20  124.956  2185.07  106.422  120.188   3.4063  119.604   2.9152 0.5844879 4.483433 
1 1 1    6    7   53 o  110.901   2.5488  1878.37   86.276  1971.38  114.421  1755.81  131.349  113.584   3.3004  107.162   4.0158 6.422447 5.198021 
1 1 1    6    7   54 o  225.594   3.1048  7776.39  213.783  8017.14  273.684  7399.56  342.402  228.977   3.9160  219.831   5.1031 9.146027 6.432430 
1 1 1    6    7   55 o   71.356   4.1041  781.470   89.009  820.645  114.853  722.561  140.840   73.008   5.1879   68.244   6.8541 4.763931 8.596089 
1 1 1    6    7   56 o  172.395   2.7701  4541.21  145.758  4714.13  237.917  4437.32  184.421  175.475   4.4421  170.344   3.5470 5.131851 5.684546 
1 1 1    6    7   57 o  213.125   3.4348  6947.07  223.435  7515.01  460.121  6771.83  255.593  220.957   6.8225  210.341   3.9811 10.61674 7.899161 
1 1 1    6    7   58 f  334.620   4.7484 17169.98  484.975 17731.86  702.428 16658.17  670.407  339.208   6.7845  328.827   6.6797 10.38116 9.520900 
1 1 1    6    7   59 o   51.197   3.4292  402.946   53.276  615.687  138.406  365.942   57.724   62.690   7.3743   48.722   3.9147 13.96806 8.348973 
1 1 1    6    7   60 o   77.674   4.7502  929.815  112.076  929.815  112.076   0.0000   0.0000   77.674   4.7502  ?   ?  0.000000 4.750191 
1 1 1    6    7   61 f   96.999   5.0391  1450.75  148.675  1450.82  176.491  1450.57  275.908   96.795   6.0034   95.738   9.5701 1.056496 11.29730 
1 1 1    6    8    0 f  203.841   9.7271  6388.21  602.050  6388.21  602.050  6388.21  602.050  203.841   9.7271  203.841   9.7271 0.000000 0.000000 
1 1 1    6    8    1 o  832.731   24.299 106625.00  6176.09 107812.50  8734.43 105437.70  8734.19  834.262   34.302  824.883   34.691 9.378845 48.78574 
1 1 1    6    8    2 o  221.706   4.4255  7503.30  299.470  7562.57  423.685  7444.12  423.345  222.553   6.2372  220.803   6.2816 1.750534 8.852239 
1 1 1    6    8    3 o  300.249   10.861 13778.45  995.370 13922.09  1219.58 13491.90  1722.59  301.701   13.244  296.033   19.167 5.667419 23.29790 
1 1 1    6    8    4 o  764.603   25.671 89958.01  5990.85 93412.23  7337.87 83052.98 10374.74  777.708   30.913  726.279   47.054 51.42957 56.30005 
1 1 1    6    8    5 o  289.355   13.024 12804.56  1150.26 12629.90  1630.02 12977.80  1623.42  286.446   18.747  290.424   18.409 -3.978088 26.27454 
1 1 1    6    8    6 o  408.012   10.520 25440.62  1310.10 27544.47  3139.62 24997.06  1441.60  422.585   24.446  404.375   11.680 18.21033 27.09285 
1 1 1    6    8    7 o  264.993   12.105 10735.87  979.083 10827.30  1386.09 10644.82  1383.18  265.324   17.209  263.055   17.324 2.269287 24.41851 
1 1 1    6    8    8 o  280.407   18.091 12096.98  1540.07   0.0000   0.0000 12096.98  1540.07  ?   ?   280.407   18.091 0.000000 18.09084 
1 1 1    6    8    9 o  413.432   25.295 26384.23  3176.63   0.0000   0.0000 26384.23  3176.63  ?   ?   413.432   25.295 0.000000 25.29529 
1 1 1    6    8   10 o  573.737   11.053 50310.48  1935.49 49485.16  2035.48 58097.14  6252.16  568.958   11.721  611.914   33.604 -42.95551 35.58938 
1 1 1    6    8   11 o  373.309   9.5775 21291.80  1091.29 21291.80  1091.29   0.0000   0.0000  373.309   9.5775  ?   ?  0.000000 9.577541 
1 1 1    6    8   12 o  316.281   9.1014 15281.89  878.612 15281.89  878.612   0.0000   0.0000  316.281   9.1014  ?   ?  0.000000 9.101375 
1 1 1    6    8   13 o  151.686   12.720  3543.16  583.465   0.0000   0.0000  3543.16  583.465  ?   ?   151.686   12.720 0.000000 12.71978 
1 1 1    6    8   14 o  718.382   30.624 79701.70  6714.91   0.0000   0.0000 79701.70  6714.91  ?   ?   718.382   30.624 0.000000 30.62440 
1 1 1    6    8   15 o  339.538   7.9716 17608.47  826.135   0.0000   0.0000 17608.47  826.135  ?   ?   339.538   7.9716 0.000000 7.971616 
1 1 1    6    8   16 o  403.437   9.1310 24866.75  1124.38 23636.99  1437.04 26808.03  1805.52  393.178   11.975  418.566   14.133 -25.38757 18.52350 
1 1 1    6    8   17 o  567.615   12.773 49278.23  2212.83 48713.77  2571.64 50888.26  4343.21  564.127   14.935  575.069   24.744 -10.94250 28.90226 
1 1 1    6    8   18 o  274.048   5.0926 11465.56  425.974 11274.35  487.795 12079.76  874.250  271.737   5.8813  281.141   10.188 -9.403961 11.76384 
1 1 1    6    8   19 o  685.067   14.319 71831.29  2994.16 72432.29  3479.61 70116.82  5877.02  687.587   16.580  673.937   28.571 13.65082 33.03304 
1 1 1    6    8   20 o  439.867   6.7643 29547.32  908.156 28823.14  1188.73 30562.50  1407.45  434.334   8.9669  447.163   10.312 -12.82913 13.66550 
1 1 1    6    8   21 o  646.990   11.435 64006.75  2258.05 63037.03  2485.94 68580.30  5398.75  641.926   12.688  666.876   26.523 -24.95044 29.40199 
1 1 1    6    8   22 o  206.114   5.1225  6485.96  322.258  8551.08  1022.48  6258.20  339.564  235.916   14.267  202.456   5.4951 33.45975 15.28853 
1 1 1    6    8   23 o  498.305   10.587 37961.63  1610.25 38858.63  4508.87 37830.50  1723.94  500.301   29.659  497.377   11.356 2.923096 31.75893 
1 1 1    6    8   24 o  272.628   4.1512 11346.19  345.429 10974.01  489.148 11716.43  487.874  268.078   5.9781  277.003   5.7704 -8.925262 8.308735 
1 1 1    6    8   25 o  351.880   5.7149 18907.14  613.791 18813.72  779.636 19059.43  995.448  350.948   7.2783  353.132   9.2356 -2.184357 11.75884 
1 1 1    6    8   26 o  102.734   3.4398  1611.06  107.860  1553.18  123.330  1799.32  222.438  100.868   4.0059  108.325   6.7614 -7.457672 7.858982 
1 1 1    6    8   27 o  175.538   2.5819  4703.13  138.335  4677.00  212.900  4722.23  181.988  175.033   3.9851  175.885   3.3900 -0.8522339 5.231935 
1 1 1    6    8   28 o  177.901   3.1557  4831.11  171.353  5082.67  212.266  4360.50  290.329  182.465   3.8114  168.971   5.6294 13.49309 6.798278 
1 1 1    6    8   29 o  245.188   4.7098  9180.08  352.468  9266.36  465.688  9064.36  539.305  246.284   6.1950  243.538   7.2552 2.745956 9.540244 
1 1 1    6    8   30 o  200.084   4.7582  6113.90  290.586  6513.98  404.784  5688.46  417.408  206.467   6.4233  192.914   7.0889 13.55295 9.566145 
1 1 1    6    8   31 o   81.934   3.3035  1024.92   82.614  1021.26  190.363  1025.77   91.699   81.348   7.7610   81.965   3.6654 -0.6165314 8.583047 
1 1 1    6    8   32 o  217.913   2.9601  7249.49  196.882  7716.32  385.774  7085.07  228.942  224.715   5.6245  215.413   3.4821 9.302170 6.615120 
1 1 1    6    8   33 o  485.824   6.3959 36086.84  948.422 35257.14  1373.16 36843.71  1311.51  479.697   9.3785  490.496   8.7603 -10.79843 12.83354 
1 1 1    6    8   34 o  366.385   5.5770 20517.47  623.668 20488.51  1079.91 20531.97  763.947  365.569   9.6783  366.376   6.8316 -0.8069763 11.84652 
1 1 1    6    8   35 o  259.924   4.3251 10320.51  343.132  9956.34  580.706 10515.87  425.325  255.053   7.4595  262.308   5.3124 -7.254929 9.157825 
1 1 1    6    8   36 o  333.447   5.8059 16999.80  590.898 17658.84  1267.82 16816.91  667.875  338.769   12.261  331.559   6.5996 7.209442 13.92457 
1 1 1    6    8   37 o  337.010   4.1344 17350.15  425.274 17722.58  666.959 17094.98  552.060  340.371   6.4199  334.405   5.4087 5.965485 8.394632 
1 1 1    6    8   38 o   18.286   6.2308   46.940   41.659   34.120   60.934   58.190   57.084   18.960   7.3585   20.780   7.2837 -1.820683 10.35373 
1 1 1    6    8   39 o  246.867   4.0602  9310.44  305.930  9766.23  491.509  9022.18  390.877  252.642   6.3740  242.927   5.2717 9.714874 8.271493 
1 1 1    6    8   40 o  489.523   7.6351 36713.32  1140.78 36127.21  1446.53 37677.55  1855.35  485.000   9.7717  494.383   12.295 -9.383026 15.70554 
1 1 1    6    8   41 o  199.343   4.0352  6071.25  245.517  6216.21  684.187  6049.83  263.036  200.643   11.217  198.974   4.3311 1.669601 12.02411 
1 1 1    6    8   42 o  396.716   6.0824 24081.74  736.502 23870.21  915.871 24468.87  1239.03  394.679   7.6028  398.953   10.175 -4.273499 12.70184 
1 1 1    6    8   43 o  135.804   2.6218  2815.98  108.674  2783.67  125.104  2915.29  219.367  135.012   3.0359  138.077   5.2051 -3.065750 6.025774 
1 1 1    6    8   44 o  117.915   3.8021  2124.15  136.839  2024.30  276.910  2156.42  157.401  114.634   7.9637  118.788   4.3413 -4.154915 9.070108 
1 1 1    6    8   45 o  140.811   3.5002  3028.68  150.436  3067.85  203.445  2981.41  223.456  141.667   4.7050  139.629   5.2432 2.037750 7.044775 
1 1 1    6    8   46 o  293.334   7.2183 13183.35  646.266 12958.61  1678.31 13222.48  700.265  286.782   19.286  293.669   7.8124 -6.887360 20.80792 
1 1 1    6    8   47 o   64.145   2.4385  628.227   47.742  597.682   73.862  650.147   62.570   62.422   3.8962   65.244   3.1420 -2.822063 5.005245 
1 1 1    6    8   48 o   86.383   2.4247  1139.33   63.929  1245.35   95.050  1051.76   86.389   90.290   3.4490   82.976   3.4110 7.313156 4.850864 
1 1 1    6    8   49 o   73.342   2.6339  821.405   58.962  924.102   94.279  755.437   75.562   77.659   3.9910   70.229   3.5364 7.429573 5.332342 
1 1 1    6    8   50 o  203.707   2.6939  6337.19  167.499  6692.20  259.817  6084.71  219.110  209.243   4.0682  199.554   3.5974 9.689102 5.430569 
1 1 1    6    8   51 o  327.601   4.7922 16417.09  479.178 16889.34  603.753 15613.30  787.662  332.067   5.9568  318.789   8.0951 13.27850 10.05057 
1 1 1    6    8   52 o  156.938   2.7008  3761.80  129.371  3892.14  239.030  3707.80  153.853  159.484   4.9104  155.780   3.2358 3.704498 5.880666 
1 1 1    6    8   53 o   98.160   2.6520  1471.74   79.455  1482.73  123.989  1464.08  103.500   98.466   4.1255   97.874   3.4646 0.5911713 5.387339 
1 1 1    6    8   54 o   42.912   4.1448  284.287   53.611  248.390   74.854  322.094   76.820   39.742   6.3872   45.497   5.6538 -5.754303 8.530087 
1 1 1    6    8   55 o   26.667   4.8545  112.294   38.057   97.668   46.745  141.049   65.542   24.745   6.2014   29.696   7.2858 -4.951603 9.567697 
1 1 1    6    8   56 o  126.428   2.6512  2442.34  102.308  2744.38  148.494  2169.42  141.155  133.947   3.6321  119.072   3.8839 14.87449 5.317632 
1 1 1    6    8   57 f  224.724   3.4437  7725.32  236.206  8548.98  346.112  7007.29  323.158  236.137   4.8021  213.756   4.9531 22.38109 6.898846 
1 1 1    6    8   58 o  142.403   4.9455  3112.07  214.952  3612.76  763.013  3068.91  224.026  148.142   17.195  141.372   5.1918 6.770157 17.96124 
1 1 1    6    8   59 o   82.580   2.9573  1043.09   74.541  1040.30  149.108  1044.02   86.067   81.968   6.0016   82.586   3.4144 -0.6177597 6.904907 
1 1 1    6    8   60 o  134.026   3.5731  2751.49  146.168  3076.44  220.685  2497.52  195.098  141.448   5.1116  127.464   5.0147 13.98368 7.160735 
1 1 1    6    9    0 o  166.553   9.1052  4273.40  459.709  4273.40  459.709  4273.40  459.709  166.553   9.1052  166.553   9.1052 0.000000 0.000000 
1 1 1    6    9    1 o   83.990   6.9615  1084.62  176.855  1297.49  253.258  882.004  247.077   91.702   9.1713   75.159   11.105 16.54289 14.40242 
1 1 1    6    9    2 o  383.584   16.478 22529.49  1929.27 23866.68  2728.56 21192.61  2728.24  393.558   22.813  370.537   24.257 23.02051 33.29895 
1 1 1    6    9    3 o  151.539   5.1319  3505.71  237.367  3505.71  237.367   0.0000   0.0000  151.539   5.1319  ?   ?  0.000000 5.131911 
1 1 1    6    9    4 o  203.762   6.1643  6339.19  383.372  6025.97  420.913  7863.86  928.655  198.652   6.9420  226.346   13.504 -27.69435 15.18341 
1 1 1    6    9    5 o  665.290   14.910 67731.50  3027.61 67551.00  3613.23 68156.94  5547.21  664.016   17.828  665.250   27.320 -1.233887 32.62194 
1 1 1    6    9    6 o  533.925   13.202 43598.97  2151.48   0.0000   0.0000 43598.97  2151.48  ?   ?   533.925   13.202 0.000000 13.20200 
1 1 1    6    9    7 o  333.799   14.632 17049.05  1490.71   0.0000   0.0000 17049.05  1490.71  ?   ?   333.799   14.632 0.000000 14.63156 
1 1 1    6    9    8 o  175.596   9.1910  4723.38  490.886   0.0000   0.0000  4723.38  490.886  ?   ?   175.596   9.1910 0.000000 9.190996 
1 1 1    6    9    9 o  262.222   6.7698 10499.63  541.830 10874.76  1416.12 10435.29  586.456  265.859   17.550  261.404   7.3503 4.454559 19.02721 
1 1 1    6    9   10 o   69.940   3.0497  746.597   65.103  819.442   92.034  673.638   92.107   73.152   4.1389   66.272   4.5816 6.880211 6.174324 
1 1 1    6    9   11 o  1100.40   20.673 185801.59  6943.38 192125.30  9819.77 179478.70  9819.08  1116.11   28.826  1078.35   29.833 37.76172 41.48387 
1 1 1    6    9   12 o  716.760   13.601 78591.38  2975.41 79317.64  4208.25 77865.38  4207.49  719.216   19.170  712.570   19.345 6.645752 27.23488 
1 1 1    6    9   13 o  232.205   7.0871  8234.14  502.297  8234.14  502.297   0.0000   0.0000  232.205   7.0871  ?   ?  0.000000 7.087149 
1 1 1    6    9   14 o  552.944   15.058 46802.27  2541.29 46802.27  2541.29   0.0000   0.0000  552.944   15.058  ?   ?  0.000000 15.05763 
1 1 1    6    9   15 o  722.586   29.199 80610.90  6439.79 85698.67  9118.44 75548.05  9096.08  740.079   40.521  693.572   43.182 46.50677 59.21696 
1 1 1    6    9   16 f  480.943   11.544 35365.50  1694.56 34760.91  2022.61 36789.26  3103.83  476.615   13.904  489.515   20.774 -12.89920 24.99716 
1 1 1    6    9   17 o  290.949   9.1415 12934.09  811.805 14212.65  1160.58 11709.21  1135.95  304.835   12.474  276.638   13.453 28.19632 18.34620 
1 1 1    6    9   18 o  509.731   9.1677 39700.71  1426.32 39413.22  1570.34 41055.84  3409.35  507.813   10.132  516.924   21.609 -9.110840 23.86590 
1 1 1    6    9   19 o  113.575   2.6229  1968.79   90.926  2033.61  122.148  1888.22  136.170  115.426   3.4671  111.220   4.0113 4.205963 5.301993 
1 1 1    6    9   20 o  853.117   18.561 111653.30  4833.02 118244.70 13438.92 110674.20  5179.55  861.809   51.322  849.016   19.988 12.79370 55.07717 
1 1 1    6    9   21 o  256.443   4.9120 10039.96  384.477  9472.56  603.259 10428.09  498.939  249.016   7.9371  261.322   6.2554 -12.30647 10.10578 
1 1 1    6    9   22 o  541.554   10.046 44831.11  1660.62 39745.00  2585.41 48403.02  2166.65  509.187   16.635  562.450   12.621 -53.26263 20.88120 
1 1 1    6    9   23 o  533.671   7.5980 43507.02  1237.63 45045.26  1619.22 41345.70  1919.36  542.849   9.7726  519.856   12.096 22.99353 15.55080 
1 1 1    6    9   24 o  142.836   3.2684  3114.21  142.493  2956.30  207.727  3254.56  195.831  139.151   4.8909  146.008   4.3943 -6.856812 6.574995 
1 1 1    6    9   25 o  788.836   11.404 95205.27  2745.74 96254.29  4617.14 94631.30  3415.28  791.361   19.115  785.900   14.238 5.461365 23.83503 
1 1 1    6    9   26 o  537.882   8.8414 44227.01  1451.53 46131.87  2052.94 42322.78  2052.60  548.921   12.253  525.695   12.792 23.22601 17.71402 
1 1 1    6    9   27 o  547.526   7.8033 45818.15  1304.06 46479.91  1622.33 44609.89  2192.16  551.252   9.6421  539.499   13.313 11.75269 16.43767 
1 1 1    6    9   28 o  192.709   3.3573  5669.27  197.471  5803.87  272.639  5520.73  286.402  194.957   4.5818  190.133   4.9352 4.823929 6.734117 
1 1 1    6    9   29 o  641.918   12.287 63188.07  2407.28 66442.01  3250.72 59236.71  3582.19  657.073   16.209  619.479   18.945 37.59338 24.93299 
1 1 1    6    9   30 o  150.753   4.5482  3470.95  209.276  3394.81  250.676  3646.08  380.170  149.064   5.5096  154.171   8.1075 -5.106598 9.802416 
1 1 1    6    9   31 o  321.029   4.6731 15742.20  457.898 15975.96  751.951 15604.43  577.270  323.162   7.6235  319.534   5.9190 3.627960 9.651493 
1 1 1    6    9   32 o  369.518   5.5797 20867.65  629.308 21089.41  806.500 20522.46  1006.23  371.311   7.1162  366.033   9.0066 5.278564 11.47865 
1 1 1    6    9   33 o  494.284   7.0383 37376.31  1061.85 38608.38  1840.01 36761.12  1300.20  501.197   12.028  489.886   8.6955 11.31073 14.84205 
1 1 1    6    9   34 o  227.643   3.6097  7913.91  250.812  7993.96  471.939  7882.40  296.087  228.597   6.7639  227.159   4.2704 1.438324 7.999196 
1 1 1    6    9   35 o  172.510   3.1891  4544.20  167.920  5335.85  257.143  3955.61  221.724  186.881   4.5081  160.905   4.5147 25.97615 6.380053 
1 1 1    6    9   36 o   75.796   3.1279  877.259   72.364  1143.46  176.153  823.215   79.370   86.184   6.7504   73.418   3.5419 12.76553 7.623221 
1 1 1    6    9   37 o  320.139   3.9230 15655.63  383.332 15622.39  497.653 15704.12  601.113  319.695   5.1000  320.416   6.1465 -0.7204285 7.986824 
1 1 1    6    9   38 o  247.053   3.7171  9322.88  280.289  9222.75  406.404  9413.71  387.077  245.600   5.4214  248.156   5.1104 -2.555603 7.450370 
1 1 1    6    9   39 o   53.552   3.4634  439.835   56.306  533.549   80.073  348.171   79.193   58.918   4.4864   47.389   5.5821 11.52881 7.161513 
1 1 1    6    9   40 f  190.915   3.3857  5566.87  197.290  5815.53  260.248  5230.86  302.521  195.080   4.3708  184.953   5.3589 10.12752 6.915302 
1 1 1    6    9   41 o  569.334   10.572 49861.31  1837.14 52227.83  3011.19 48458.11  2318.69  579.050   17.037  559.837   13.569 19.21259 21.78088 
1 1 1    6    9   42 o  192.954   5.0164  5692.25  295.435  5785.36  330.216  5318.80  661.343  194.485   5.5628  185.400   11.748 9.084122 12.99812 
1 1 1    6    9   43 o  335.129   6.1816 17188.03  632.314 17131.75  827.675 17266.93  979.938  334.242   8.1130  335.242   9.5769 -0.9993286 12.55138 
1 1 1    6    9   44 o  272.794   5.4705 11382.04  455.491 11395.02  478.887 11258.79  1475.30  272.918   5.7489  267.791   18.157 5.127625 19.04525 
1 1 1    6    9   45 o  177.043   3.6818  4788.38  198.954  5402.40  458.515  4645.96  220.826  187.693   8.0037  174.366   4.1493 13.32716 9.015258 
1 1 1    6    9   46 f  145.259   2.9072  3222.27  128.897  3110.44  226.235  3276.02  156.843  142.612   5.1974  146.443   3.5090 -3.831223 6.271017 
1 1 1    6    9   47 o   62.670   3.4185  601.742   65.143  619.247   96.731  587.213   88.123   63.435   5.0374   61.796   4.7075 1.639431 6.894661 
1 1 1    6    9   48 o  225.506   3.2497  7767.91  223.679  7529.09  314.141  8013.50  318.566  221.907   4.6381  228.942   4.5589 -7.034576 6.503448 
1 1 1    6    9   49 o   54.873   3.4665  461.870   57.761  523.487   86.894  413.091   77.314   58.295   4.9298   51.732   4.9571 6.562813 6.991187 
1 1 1    6    9   50 o  159.071   2.8348  3864.71  137.637  3927.13  194.592  3802.22  194.704  160.288   3.9775  157.714   4.0447 2.573990 5.672742 
1 1 1    6    9   51 o  108.795   2.5003  1807.59   83.027  1942.87  127.282  1707.40  109.540  112.747   3.6987  105.706   3.3951 7.040787 5.020638 
1 1 1    6    9   52 f   41.745   4.5761  269.789   57.351  325.041   87.976  228.957   75.630   45.583   6.5081   38.071   6.7559 7.512081 9.380703 
1 1 1    6    9   53 o  123.850   2.7089  2343.13  102.402  2379.80  155.351  2314.95  136.174  124.739   4.0803  123.056   3.6256 1.683044 5.458354 
1 1 1    6    9   54 o  139.045   3.6258  2956.20  153.878  3264.04  323.115  2865.90  174.996  145.683   7.2666  136.861   4.1892 8.822296 8.387682 
1 1 1    6    9   55 o  158.383   4.0035  3838.45  193.536  3932.56  605.112  3827.72  204.266  157.975   12.656  158.137   4.2320 -0.1616974 13.34469 
1 1 1    6    9   56 o  191.542   3.4626  5611.80  202.434  6090.51  342.480  5354.74  250.969  199.173   5.6336  186.974   4.3977 12.19887 7.146840 
1 1 1    6    9   57 o   95.578   2.6551  1396.27   77.455  1759.55  170.215  1301.40   86.982  107.060   5.2090   92.249   3.0892 14.81133 6.056136 
1 1 1    6    9   58 o   97.693   4.8628  1465.03  145.000  1576.36  174.151  1213.43  261.798  101.076   5.6678   87.575   9.9720 13.50103 11.47014 
1 1 1    6    9   59 o  118.491   4.8879  2156.88  176.778  2854.60  669.392  2104.57  183.285  130.671   17.202  117.006   5.1322 13.66518 17.95092 
1 1 1    6    9   60 o  143.252   3.7862  3145.53  165.548  3510.43  237.388  2800.04  230.984  151.052   5.1489  134.802   5.6139 16.24948 7.617567 
1 1 1    6   10    0 o  868.599   52.042 118275.80 13683.86 118275.80 13683.86 118275.80 13683.86  868.599   52.042  868.599   52.042 -0.000000 0.000000 
1 1 1    6   10    1 o  285.146   7.6834 12417.74  668.714 12252.61  735.495 13205.21  1606.12  283.220   8.5082  293.012   18.046 -9.791748 19.95155 
1 1 1    6   10    2 o  352.688   10.714 19010.42  1153.33 19081.25  1630.96 18939.58  1631.15  353.092   15.133  351.775   15.192 1.317108 21.44332 
1 1 1    6   10    3 o  345.898   8.1749 18274.54  863.068 18212.12  1028.86 18422.75  1585.49  345.245   9.7637  346.956   14.972 -1.710785 17.87409 
1 1 1    6   10    4 o  457.760   11.264 32029.90  1573.80 29808.08  1877.34 37283.33  2886.75  441.411   13.934  493.128   19.179 -51.71756 23.70664 
1 1 1    6   10    5 o  767.729   18.717 90349.57  4385.95   0.0000   0.0000 90349.57  4385.95  ?   ?   767.729   18.717 0.000000 18.71709 
1 1 1    6   10    6 o  1017.05   41.875 161392.91 12999.12   0.0000   0.0000 161392.91 12999.12  ?   ?   1017.05   41.875 0.000000 41.87486 
1 1 1    6   10    7 o  510.798   11.971 39891.95  1866.43 39330.75  2227.14 41215.91  3420.82  506.984   14.392  518.125   21.631 -11.14139 25.98166 
1 1 1    6   10    8 o  221.253   6.3639  7474.70  429.763  7007.63  511.659  8593.58  791.925  214.200   7.8261  237.113   10.942 -22.91345 13.45300 
1 1 1    6   10    9 o  130.898   3.9060  2615.43  156.057  2740.53  184.478  2300.63  292.636  133.988   4.5109  122.478   7.8697 11.50951 9.070815 
1 1 1    6   10   10 o  1032.61   18.870 163497.41  5947.29 167957.09  8846.44 159819.59  8033.66  1043.73   27.769  1018.83   25.834 24.90222 37.92799 
1 1 1    6   10   11 o  325.882   5.3285 16213.35  530.010 18561.07  788.831 14281.30  715.602  348.616   7.4134  305.786   7.6672 42.82935 10.66513 
1 1 1    6   10   12 o  265.652   5.3003 10774.06  429.763 10951.91  582.814 10562.11  636.248  267.794   7.1304  262.963   7.9271 4.830475 10.66214 
1 1 1    6   10   13 o  130.498   2.9378  2599.24  117.014  2593.06  144.978  2610.80  198.199  130.339   3.6443  130.773   4.9655 -0.4346161 6.159328 
1 1 1    6   10   14 o  349.262   12.776 18659.08  1361.94 17743.19  1671.74 20466.66  2348.54  340.352   16.092  364.447   21.204 -24.09451 26.61951 
1 1 1    6   10   15 o  329.371   9.4539 16577.44  950.413 16577.44  950.413   0.0000   0.0000  329.371   9.4539  ?   ?  0.000000 9.453863 
1 1 1    6   10   16 o  794.240   33.309 97836.56  8074.70 96754.93 11430.07 98914.15 11408.65  781.733   48.138  790.820   47.485 -9.087524 67.61740 
1 1 1    6   10   17 o  772.196   18.101 91446.32  4266.33 88969.64  5092.46 97276.90  7813.54  760.800   21.930  792.220   32.314 -31.41937 39.05246 
1 1 1    6   10   18 o   87.024   6.7395  1163.51  177.618  999.993  516.051  1185.48  189.176   79.281   20.994   87.814   7.1194 -8.532684 22.16836 
1 1 1    6   10   19 o  389.454   7.7991 23169.23  927.075 22741.71  1381.59 23519.40  1250.37  385.612   11.738  392.238   10.444 -6.625763 15.71216 
1 1 1    6   10   20 o  452.648   10.389 31323.02  1435.28 30971.53  1712.98 32151.23  2629.47  449.928   12.474  457.686   18.823 -7.757446 22.58069 
1 1 1    6   10   21 o  263.527   6.9538 10606.98  559.325 11982.26  1518.01 10390.94  601.656  278.884   17.928  260.810   7.5580 18.07352 19.45639 
1 1 1    6   10   22 f  483.024   7.8918 35645.40  1163.49 34416.09  1717.75 36687.48  1581.53  474.292   11.866  489.818   10.579 -15.52618 15.89661 
1 1 1    6   10   23 o  250.665   4.2611  9592.32  326.015  9484.52  414.777  9766.58  527.338  249.225   5.4526  252.863   6.8326 -3.638184 8.741597 
1 1 1    6   10   24 o  301.222   4.3098 13852.45  396.243 14490.87  562.827 13225.05  557.948  308.031   5.9864  294.261   6.2122 13.76935 8.627154 
1 1 1    6   10   25 o  149.038   3.5055  3390.82  159.465  3366.43  174.156  3517.37  396.689  148.497   3.8424  151.443   8.6175 -2.945984 9.435350 
1 1 1    6   10   26 o  330.358   6.0358 16671.08  608.606 18706.75  1254.95 16045.09  695.919  349.490   11.765  324.042   7.0362 25.44806 13.70815 
1 1 1    6   10   27 o  133.952   3.0149  2739.06  123.266  2999.69  199.747  2578.77  156.652  140.154   4.6694  129.961   3.9492 10.19301 6.115452 
1 1 1    6   10   28 o  408.153   8.9228 25491.22  1111.58 26878.64  2188.98 25009.14  1290.33  417.612   17.173  404.073   10.462 13.53848 20.10917 
1 1 1    6   10   29 o  111.708   3.1515  1905.10  107.451  1864.81  147.116  1951.17  157.314  110.501   4.3619  113.027   4.5600 -2.525978 6.310324 
1 1 1    6   10   30 o  203.634   3.4051  6331.41  211.638  6398.20  638.323  6323.16  224.326  204.042   10.283  203.495   3.6117 0.5474854 10.89841 
1 1 1    6   10   31 o  249.152   3.7989  9480.01  288.897  9641.43  380.999  9261.66  443.129  251.205   4.9691  246.150   5.8981 5.054840 7.712320 
1 1 1    6   10   32 o  288.422   4.1561 12706.31  365.874 12321.53  702.132 12849.74  428.674  283.679   8.1091  290.001   4.8430 -6.321960 9.445224 
1 1 1    6   10   33 o  223.205   3.8866  7609.23  264.781  6958.87  451.445  7950.28  326.916  213.268   6.9352  228.111   4.6954 -14.84244 8.375228 
1 1 1    6   10   34 o  248.803   3.8391  9454.86  291.547  9299.60  451.734  9565.70  381.681  246.606   6.0015  250.186   4.9983 -3.579910 7.810310 
1 1 1    6   10   35 o  215.183   3.1483  7070.55  206.778  7452.23  361.034  6884.23  252.249  220.793   5.3573  212.296   3.8929 8.497162 6.622319 
1 1 1    6   10   36 o  148.999   4.7066  3392.67  214.047  3200.14  457.591  3446.60  242.176  143.948   10.487  150.152   5.2842 -6.203796 11.74313 
1 1 1    6   10   37 o  241.247   4.8276  8895.33  355.474  8865.57  387.623  9052.73  891.471  240.808   5.2738  242.425   12.048 -1.616852 13.15162 
1 1 1    6   10   38 o   65.487   4.1776  657.911   83.068  638.099  112.846  681.346  122.728   64.329   5.8100   66.454   6.1194 -2.125763 8.438203 
1 1 1    6   10   39 o  270.497   3.7450 11177.25  309.198 11521.37  429.709 10807.80  445.248  274.512   5.1286  265.840   5.4874 8.671906 7.510897 
1 1 1    6   10   40 o   81.693   2.5257  1018.95   62.977  1153.78   94.314  910.458   84.602   86.910   3.5554   77.203   3.5903 9.707054 5.052797 
1 1 1    6   10   41 o  273.507   6.7679 11454.41  564.990 11454.41  564.990   0.0000   0.0000  273.507   6.7679  ?   ?  0.000000 6.767915 
1 1 1    6   10   42 o   97.754   3.5449  1459.69  105.769  1503.94  148.444  1414.06  150.741   99.183   4.9035   96.026   5.1620 3.156471 7.119776 
1 1 1    6   10   43 o  172.486   4.0508  4545.95  213.260  4902.19  289.460  4123.00  315.397  179.039   5.2969  164.124   6.2961 14.91507 8.227864 
1 1 1    6   10   44 o  147.391   2.7391  3317.26  123.224  3424.16  183.710  3229.83  166.141  149.698   4.0207  145.400   3.7436 4.298157 5.493694 
1 1 1    6   10   45 o  335.270   5.3703 17193.27  549.549 18130.26  2192.44 17130.45  567.672  338.075   21.357  334.630   5.5580 3.445068 22.06811 
1 1 1    6   10   46 o  253.676   4.2024  9834.99  325.380 10160.18  553.297  9663.08  402.297  257.500   7.0399  251.348   5.2439 6.151779 8.778282 
1 1 1    6   10   47 f  190.994   3.9075  5574.44  227.789  5580.86  258.579  5552.21  481.319  191.068   4.4339  190.174   8.2921 0.8938904 9.403126 
1 1 1    6   10   48 o   89.216   2.5409  1215.43   69.190  1215.28   87.182  1215.68  113.725   89.195   3.2024   89.180   4.1780 0.1474762E-01 5.264119 
1 1 1    6   10   49 o  220.979   3.0194  7459.00  203.654  7772.42  321.949  7249.94  262.945  225.432   4.6790  217.790   3.9556 7.641617 6.126986 
1 1 1    6   10   50 o  194.006   5.4280  5762.12  321.420  6430.69  745.903  5609.67  356.186  203.355   12.071  191.343   6.0988 12.01135 13.52467 
1 1 1    6   10   51 o  304.794   5.1281 14221.01  477.069 14595.40  782.398 13999.43  601.910  308.012   8.3223  302.124   6.5272 5.887909 10.57664 
1 1 1    6   10   52 o   27.643   5.4205  121.096   44.099  206.999   86.533   90.957   51.254   35.978   8.0779   24.012   6.7254 11.96552 10.51113 
1 1 1    6   10   53 o  141.771   3.3962  3072.40  146.959  3215.83  219.210  2955.30  198.060  144.908   4.9562  138.942   4.6703 5.966614 6.809970 
1 1 1    6   10   54 o  136.494   3.5689  2849.05  148.686  2972.15  207.549  2719.26  213.107  139.288   4.8819  133.192   5.2421 6.096436 7.163275 
1 1 1    6   10   55 o  190.155   4.5952  5539.52  266.706  6643.21  841.556  5416.29  281.201  204.843   13.536  187.979   4.9011 16.86459 14.39623 
1 1 1    6   10   56 o  118.531   2.4123  2146.75   87.273  2268.08  135.156  2059.98  114.295  121.741   3.6373  116.055   3.2266 5.685249 4.862227 
1 1 1    6   10   57 o   63.875   3.1439  624.132   61.295  732.790   96.322  550.189   79.460   68.969   4.6021   59.747   4.3879 9.221630 6.358737 
1 1 1    6   10   58 o   46.694   4.1571  336.894   58.627  367.615  532.574  336.517   58.985   54.617   21.588   46.664   4.1859 7.953331 21.99021 
1 1 1    6   10   59 o  126.111   5.3364  2447.72  205.408  2459.84  226.573  2391.79  486.732  126.310   5.8770  121.392   13.358 4.917625 14.59328 
1 1 1    6   11    0 o  249.904   6.6366  9553.75  505.409  9553.75  505.409  9553.75  505.409  249.904   6.6366  249.904   6.6366 0.000000 0.000000 
1 1 1    6   11    1 o  502.667   16.979 38708.35  2604.96 42698.53  4514.46 36716.62  3189.52  525.439   28.253  489.021   21.369 36.41788 35.42397 
1 1 1    6   11    2 o  198.752   5.1248  6030.61  310.888  6212.06  369.914  5594.19  573.681  201.707   6.0085  191.081   9.8701 10.62592 11.55512 
1 1 1    6   11    3 o   30.381   9.6763  137.920  101.067   0.0000   0.0000  137.920  101.067  ?   ?    30.381   9.6763 0.000000 9.676309 
1 1 1    6   11    4 o  172.124   8.6055  4525.84  452.102   0.0000   0.0000  4525.84  452.102  ?   ?   172.124   8.6055 0.000000 8.605550 
1 1 1    6   11    5 o  428.510   17.821 28142.52  2330.81   0.0000   0.0000 28142.52  2330.81  ?   ?   428.510   17.821 0.000000 17.82082 
1 1 1    6   11    6 o  664.495   22.389 67844.10  4540.91 67276.64  7866.73 68127.65  5560.88  655.948   39.476  664.765   27.407 -8.816101 48.05727 
1 1 1    6   11    7 o  202.784   6.1225  6278.82  378.950  5716.01  449.874  7653.71  703.142  193.455   7.6189  223.783   10.294 -30.32816 12.80707 
1 1 1    6   11    8 o  161.888   4.2271  4000.58  208.870  4253.37  246.128  3350.05  394.839  166.918   4.8310  147.821   8.7908 19.09724 10.03084 
1 1 1    6   11    9 o  923.229   17.340 130624.10  4886.15 124400.80  7267.90 135756.80  6600.36  898.463   26.503  939.699   23.012 -41.23547 35.09941 
1 1 1    6   11   10 o  391.783   10.081 23458.57  1205.53 21953.80  1437.80 27020.47  2212.10  378.868   12.434  419.896   17.260 -41.02762 21.27224 
1 1 1    6   11   11 o  387.841   10.205 22990.13  1208.05 22493.09  1329.17 25350.64  2896.60  383.558   11.354  405.302   23.516 -21.74442 26.11330 
1 1 1    6   11   12 o  125.040   4.9798  2386.96  190.053  2386.96  190.053   0.0000   0.0000  125.040   4.9798  ?   ?  0.000000 4.979752 
1 1 1    6   11   13 o  630.253   12.005 60748.75  2309.41 60748.75  2309.41   0.0000   0.0000  630.253   12.005  ?   ?  0.000000 12.00521 
1 1 1    6   11   14 o  778.694   19.048 93040.70  4527.17 93040.70  4527.17   0.0000   0.0000  778.694   19.048  ?   ?  0.000000 19.04774 
1 1 1    6   11   15 o  619.192   16.051 58740.72  3033.59 58740.72  3033.59   0.0000   0.0000  619.192   16.051  ?   ?  0.000000 16.05144 
1 1 1    6   11   16 o  643.519   27.076 63917.65  5318.23 63917.65  5318.23   0.0000   0.0000  643.519   27.076  ?   ?  0.000000 27.07628 
1 1 1    6   11   17 o  740.692   18.952 84203.30  4284.48 82839.95  4717.44 90624.60 10237.96  734.185   21.052  757.626   44.468 -23.44153 49.19946 
1 1 1    6   11   18 o  226.594   6.6757  7841.52  461.706  7143.03  551.029  9487.51  845.884  216.222   8.3494  249.083   11.126 -32.86049 13.91068 
1 1 1    6   11   19 o  710.407   30.200 78213.09  6548.39 75649.66  9273.63 80762.38  9248.06  691.424   44.174  715.396   42.545 -23.97144 61.33014 
1 1 1    6   11   20 o  723.166   16.768 80210.30  3701.07 78360.98  4417.45 84565.93  6779.37  713.961   20.271  738.477   30.077 -24.51587 36.27053 
1 1 1    6   11   21 o  555.250   8.4510 47113.97  1432.23 47769.64  1815.73 46034.18  2330.12  558.880   10.644  548.218   13.925 10.66187 17.52761 
1 1 1    6   11   22 o  545.378   11.887 45522.29  1978.68 44345.75  2298.98 48884.24  3886.23  537.987   14.001  563.057   22.613 -25.07013 26.59635 
1 1 1    6   11   23 o  271.756   5.3975 11277.82  447.699 11845.19  637.389 10725.32  628.979  278.424   7.5003  264.924   7.7785 13.50052 10.80558 
1 1 1    6   11   24 o  795.463   10.670 96838.34  2590.71 95066.90  3664.82 98607.84  3662.80  787.001   15.257  801.609   14.970 -14.60797 21.37475 
1 1 1    6   11   25 o  317.260   6.9428 15381.60  672.305 15854.43  781.939 14041.11  1316.58  322.032   7.9553  302.467   14.261 19.56439 16.32985 
1 1 1    6   11   26 o  489.903   7.5948 36694.30  1135.65 38961.57  1850.72 35325.00  1438.27  504.119   12.028  480.383   9.8093 23.73602 15.52074 
1 1 1    6   11   27 o  214.421   5.5191  7024.18  361.207  7073.83  391.239  6737.54  940.092  215.158   5.9575  208.779   14.849 6.379898 15.99988 
1 1 1    6   11   28 o  415.116   8.5583 26375.41  1084.37 28320.23  2267.03 25798.45  1234.78  428.204   17.346  410.354   9.8586 17.84991 19.95152 
1 1 1    6   11   29 o  146.291   2.7067  3267.12  120.857  3677.15  205.198  3049.34  149.548  155.161   4.3329  141.317   3.4671 13.84384 5.549300 
1 1 1    6   11   30 o  315.487   5.0298 15208.21  484.342 15304.39  1079.98 15183.99  541.894  315.724   11.207  315.187   5.6329 0.5368347 12.54298 
1 1 1    6   11   31 o  165.027   2.8229  4157.88  142.187  3999.84  279.937  4212.82  165.065  161.760   5.6698  166.102   3.2558 -4.342148 6.538171 
1 1 1    6   11   32 o  203.289   6.0430  6319.29  374.960  6012.28  448.085  7036.47  684.857  198.192   7.4073  214.094   10.480 -15.90184 12.83383 
1 1 1    6   11   33 o  272.017   4.7360 11306.55  393.210 11165.43  499.677 11536.06  637.249  270.205   6.0587  274.489   7.6062 -4.284058 9.724289 
1 1 1    6   11   34 o   33.642   5.8892  178.140   58.270  196.034  278.603  177.322   59.588   41.896   15.866   33.541   6.0429 8.355709 16.97798 
1 1 1    6   11   35 o   56.573   3.2325  490.347   55.586  673.443  102.242  413.519   66.229   66.179   5.1009   51.854   4.2212 14.32558 6.621026 
1 1 1    6   11   36 o  270.216   5.0152 11161.46  413.636 11860.89  1072.68 11039.30  448.307  277.335   12.672  268.692   5.4664 8.642914 13.80083 
1 1 1    6   11   37 o  153.103   2.5351  3578.86  118.469  3713.41  238.694  3534.88  136.463  155.855   5.0177  152.148   2.9385 3.707199 5.814818 
1 1 1    6   11   38 o  309.559   4.6325 14646.31  437.695 15365.76  676.540 14128.40  574.008  316.765   6.9974  303.857   6.1892 12.90823 9.341840 
1 1 1    6   11   39 o  189.961   4.1812  5513.95  242.429  5590.42  337.216  5432.15  348.768  191.164   5.7794  188.416   6.0646 2.748383 8.377430 
1 1 1    6   11   40 o   53.002   11.869  450.024  187.237  433.998  269.597  464.956  260.238   52.509   15.647   53.991   15.166 -1.482101 21.79090 
1 1 1    6   11   41 o   72.140   3.4703  794.926   76.411  806.385   79.138  637.208  293.603   72.656   3.5686   62.837   15.423 9.818771 15.83035 
1 1 1    6   11   42 o  153.793   4.3266  3614.67  203.097  3817.71  377.067  3531.70  241.051  157.802   7.8287  151.970   5.1968 5.831329 9.396540 
1 1 1    6   11   43 o  309.757   5.2962 14674.35  500.731 14554.54  1304.46 14695.05  542.274  306.552   13.941  309.918   5.7326 -3.366150 15.07407 
1 1 1    6   11   44 o  130.932   2.4101  2617.46   96.316  2753.32  154.346  2530.81  123.260  134.243   3.7669  128.726   3.1372 5.516708 4.902199 
1 1 1    6   11   45 o  171.180   3.1271  4475.49  163.386  3331.65  650.831  4552.43  168.791  145.728   14.839  172.641   3.2032 -26.91383 15.18104 
1 1 1    6   11   46 o  256.740   3.3737 10069.37  264.377 10300.47  411.458  9906.87  345.025  259.495   5.1949  254.568   4.4405 4.926224 6.834112 
1 1 1    6   11   47 o   80.228   2.9202  983.070   71.509  1180.27  138.840  911.872   83.425   87.679   5.2115   77.254   3.5380 10.42432 6.298971 
1 1 1    6   11   48 o  238.064   3.5579  8659.92  258.526  8800.56  388.003  8547.62  346.696  239.807   5.3010  236.394   4.8050 3.413010 7.154629 
1 1 1    6   11   49 o  107.016   2.6509  1749.09   86.590  1953.76  489.399  1742.47   87.978  110.950   14.822  106.812   2.6986 4.137604 15.06594 
1 1 1    6   11   50 o  245.913   3.7542  9243.92  281.784  9643.74  410.364  8887.20  387.614  250.964   5.3572  240.931   5.2709 10.03229 7.515510 
1 1 1    6   11   51 f  114.763   3.7471  2013.54  131.256  2123.47  178.255  1883.34  193.990  117.775   4.9587  110.709   5.7608 7.066986 7.601041 
1 1 1    6   11   52 o   88.558   2.6008  1197.98   70.299  1289.69  115.302  1143.72   88.691   91.819   4.1142   86.501   3.3592 5.318207 5.311401 
1 1 1    6   11   53 o  199.361   3.1060  6074.69  188.997  6000.15  228.774  6234.93  335.411  198.061   3.7843  201.657   5.4494 -3.595291 6.634531 
1 1 1    6   11   54 o  100.260   5.7302  1547.96  174.627  1601.61  197.608  1356.72  373.095  101.879   6.3871   91.858   13.728 10.02143 15.14141 
1 1 1    6   11   55 o  118.614   3.9548  2153.94  143.176  2423.35  212.519  1930.04  193.744  125.621   5.5427  111.948   5.6888 13.67266 7.942551 
1 1 1    6   11   56 o  247.788   3.4674  9396.26  262.244 10573.78  481.674  8900.17  312.643  262.124   6.0205  240.990   4.2504 21.13359 7.369683 
1 1 1    6   11   57 o  139.601   3.6484  2984.49  155.454  4027.95  813.749  2944.97  158.371  155.664   17.426  138.661   3.7420 17.00354 17.82332 
1 1 1    6   11   58 o   62.329   3.6910  597.291   69.905   0.0000   0.0000  597.291   69.905  ?   ?    62.329   3.6910 0.000000 3.690965 
1 1 1    6   12    0 o  539.612   32.670 45246.48  5335.60 45246.48  5335.60 45246.48  5335.60  539.612   32.670  539.612   32.670 0.000000 0.000000 
1 1 1    6   12    1 o  475.917   19.553 34753.04  2840.24   0.0000   0.0000 34753.04  2840.24  ?   ?   475.917   19.553 0.000000 19.55268 
1 1 1    6   12    2 o  347.357   15.020 18472.56  1592.45   0.0000   0.0000 18472.56  1592.45  ?   ?   347.357   15.020 0.000000 15.02004 
1 1 1    6   12    3 o  176.368   4.9931  4748.78  268.786  4615.49  318.893  5075.79  499.494  173.862   6.0093  182.268   8.9785 -8.405975 10.80394 
1 1 1    6   12    4 o  135.144   6.7546  2789.10  278.623  1894.02  484.909  3230.27  340.431  110.257   14.781  145.222   7.7079 -34.96421 16.67018 
1 1 1    6   12    5 o  759.223   25.437 88785.70  5894.48 85574.00 10210.76 90390.97  7218.81  736.594   45.641  764.370   30.942 -27.77625 55.14084 
1 1 1    6   12    6 f  263.037   6.8618 10566.15  550.896  9976.94  655.070 11989.53  1018.15  255.555   8.3982  280.003   11.913 -24.44815 14.57587 
1 1 1    6   12    7 o  128.466   4.4734  2519.36  175.404  2380.65  204.782  2901.47  339.876  124.871   5.3729  137.578   8.1299 -12.70689 9.744968 
1 1 1    6   12    8 f  471.673   10.763 34010.16  1549.49 33880.48  1848.17 34316.97  2842.76  470.601   12.867  472.852   19.697 -2.250824 23.52707 
1 1 1    6   12    9 o  380.524   16.546 22187.86  1921.78 23650.96  2716.43 20721.80  2719.18  391.503   22.832  366.061   24.478 25.44186 33.47318 
1 1 1    6   12   10 o  1041.00   35.048 168434.50 11135.94 176310.20 19291.69 164498.91 13637.38  1044.77   60.760  1023.66   43.647 21.10223 74.81179 
1 1 1    6   12   11 o  611.992   15.383 57364.11  2873.50 63428.21  6879.46 56082.52  3162.59  637.670   35.487  604.857   17.131 32.81311 39.40507 
1 1 1    6   12   12 o  570.485   34.466 50751.44  5973.23 50751.44  5973.23   0.0000   0.0000  570.485   34.466  ?   ?  0.000000 34.46610 
1 1 1    6   12   13 o  823.648   50.000 107928.20 12510.24 107928.20 12510.24   0.0000   0.0000  823.648   50.000  ?   ?  0.000000 49.99963 
1 1 1    6   12   14 o  317.742   6.0977 15416.74  591.364 16965.64  800.903 13560.03  876.883  333.255   7.8738  297.862   9.6452 35.39340 12.45096 
1 1 1    6   12   15 o  311.611   5.4180 14825.90  515.314 13978.32  632.064 16506.09  889.920  302.530   6.8450  328.662   8.8712 -26.13257 11.20506 
1 1 1    6   12   16 o  846.495   19.573 110059.20  5057.00 108349.80  5481.83 119822.80 13101.37  839.372   21.397  866.992   49.717 -27.62073 54.12562 
1 1 1    6   12   17 o  379.311   9.6716 21993.10  1119.72 22026.43  1232.23 21835.15  2682.20  379.534   10.637  375.733   23.506 3.800293 25.80104 
1 1 1    6   12   18 o  200.040   16.558  6178.89  1001.90  6178.89  1001.90   0.0000   0.0000  200.040   16.558  ?   ?  0.000000 16.55819 
1 1 1    6   12   19 o  473.829   19.906 34525.20  2878.94 35696.51  4092.80 33378.04  4050.39  479.214   28.105  463.127   28.796 16.08670 40.23799 
1 1 1    6   12   20 o  384.164   10.367 22572.64  1215.64 22143.02  1338.67 24592.90  2902.92  380.391   11.530  398.379   23.986 -17.98737 26.61296 
1 1 1    6   12   21 o  320.432   14.959 15748.15  1463.02 14653.13  2100.41 16780.06  2038.99  307.322   22.549  329.450   20.377 -22.12799 30.39255 
1 1 1    6   12   22 o  259.446   6.1671 10282.27  488.362  9782.29  992.361 10442.06  560.997  252.331   12.928  261.417   7.0309 -9.086792 14.71651 
1 1 1    6   12   23 o  536.420   8.2780 43996.39  1355.34 44419.21  1718.30 43300.18  2204.92  538.690   10.451  531.309   13.597 7.380859 17.14878 
1 1 1    6   12   24 o  307.636   6.2036 14460.45  582.503 13186.53  866.515 15510.79  786.808  293.522   9.6721  318.479   8.0941 -24.95737 12.61204 
1 1 1    6   12   25 o  215.734   5.5855  7110.42  367.784  8411.51  994.310  6904.20  395.861  233.559   14.013  212.560   6.1016 20.99980 15.28343 
1 1 1    6   12   26 o  288.872   6.7085 12757.28  591.493 13301.89  704.339 11454.26  1089.46  294.881   7.8256  273.056   13.072 21.82501 15.23547 
1 1 1    6   12   27 o   47.039   5.3047  342.376   74.831  343.642   84.363  337.706  162.067   47.035   6.0141   46.017   11.555 1.017506 13.02654 
1 1 1    6   12   28 o  367.144   6.8904 20616.98  772.145 19598.63  1403.37 21059.10  924.692  356.975   12.880  370.893   8.1683 -13.91815 15.25182 
1 1 1    6   12   29 o  382.908   5.1471 22405.35  601.557 21394.79  852.195 23409.00  849.274  373.899   7.4674  391.154   7.1135 -17.25491 10.31325 
1 1 1    6   12   30 o  273.519   5.3895 11434.77  449.939 11182.62  705.835 11607.37  583.968  270.172   8.5594  275.436   6.9463 -5.264221 11.02336 
1 1 1    6   12   31 f   98.164   3.3536  1471.51  100.479  1406.51  179.880  1500.99  121.141   95.701   6.1913   99.130   4.0038 -3.428406 7.373093 
1 1 1    6   12   32 o  431.137   6.5100 28437.08  856.672 26954.49  1121.88 30510.67  1326.77  419.329   8.7654  445.899   9.7486 -26.57013 13.10985 
1 1 1    6   12   33 o  174.205   2.9493  4633.80  156.818  4732.42  230.536  4548.87  213.940  175.997   4.2916  172.560   4.0619 3.436752 5.909068 
1 1 1    6   12   34 o  100.227   2.3619  1533.59   72.255  1708.27  104.091  1371.16  100.378  105.765   3.2245   94.751   3.4709 11.01371 4.737529 
1 1 1    6   12   35 o   90.318   3.1254  1245.70   86.159  1274.90   95.735  1121.25  197.642   91.364   3.4330   85.206   7.6822 6.158043 8.414425 
1 1 1    6   12   36 o  235.667   3.1480  8481.64  226.437  8776.59  355.731  8280.73  293.600  239.615   4.8640  232.801   4.1319 6.814392 6.382086 
1 1 1    6   12   37 o  225.432   4.9638  7769.27  341.544  7769.48  634.191  7769.18  405.349  224.949   9.2367  225.350   5.8933 -0.4003754 10.95664 
1 1 1    6   12   38 o   70.908   3.3163  767.940   71.774  884.891  109.394  679.544   95.106   75.937   4.7436   66.509   4.7156 9.428215 6.688656 
1 1 1    6   12   39 o   77.362   4.3431  917.515  102.138   0.0000   0.0000  917.515  102.138  ?   ?    77.362   4.3431 0.000000 4.343142 
1 1 1    6   12   40 o  309.578   5.7355 14662.13  541.951 15201.89  768.464 14128.03  764.422  314.859   7.9963  303.487   8.2523 11.37161 11.49094 
1 1 1    6   12   41 o   59.130   3.6455  536.147   65.472  612.867  107.505  490.915   82.546   63.044   5.6467   56.460   4.8367 6.583683 7.434930 
1 1 1    6   12   42 o  147.551   4.3626  3327.44  196.475  3524.68  417.006  3271.16  222.748  151.226   9.0764  146.265   4.9895 4.961212 10.35737 
1 1 1    6   12   43 o  129.168   2.8539  2547.87  112.517  2590.13  191.858  2525.71  138.913  130.156   4.8294  128.583   3.5395 1.573547 5.987632 
1 1 1    6   12   44 o  163.954   2.9530  4105.31  147.774  4424.46  245.685  3924.40  184.975  170.112   4.7318  160.264   3.7815 9.847748 6.057187 
1 1 1    6   12   45 o  254.417   4.6308  9896.68  359.597 10510.20  495.092  9211.63  523.162  261.992   6.1913  245.161   6.9915 16.83075 9.338758 
1 1 1    6   12   46 o   76.841   2.7890  901.755   65.412  942.851  107.532  877.616   82.413   78.398   4.5129   75.789   3.5627 2.609161 5.749687 
1 1 1    6   12   47 o  288.308   3.7685 12703.08  331.622 13159.11  526.505 12403.19  426.956  293.142   5.8845  284.745   4.9126 8.397125 7.665542 
1 1 1    6   12   48 o   45.647   4.0734  321.069   56.156  323.927  150.112  320.603   60.553   44.902   11.032   45.576   4.4080 -0.6737518 11.88025 
1 1 1    6   12   49 o  208.781   3.3571  6660.92  213.930  6902.93  274.341  6285.42  341.724  212.459   4.2306  202.586   5.5265 9.873032 6.959862 
1 1 1    6   12   50 o   45.631   4.6941  321.987   64.445  372.008  127.590  304.856   74.670   48.375   8.9716   44.249   5.6582 4.125637 10.60687 
1 1 1    6   12   51 o   45.282   3.5646  315.407   48.868  322.307   80.863  311.437   61.336   45.459   5.9725   44.883   4.5398 0.5761719 7.502034 
1 1 1    6   12   52 o  159.238   3.1488  3875.71  153.040  4262.31  248.622  3639.86  194.189  166.811   4.8831  154.232   4.1251 12.57912 6.392267 
1 1 1    6   12   53 o  164.664   5.0401  4156.36  253.309  4875.05  682.610  4041.58  272.787  175.794   12.810  162.305   5.5065 13.48923 13.94339 
1 1 1    6   12   54 o  171.718   3.5202  4511.22  184.500  4996.50  703.618  4475.39  191.189  177.499   13.080  171.017   3.6627 6.482117 13.58273 
1 1 1    6   12   55 o  104.545   2.6333  1670.61   84.027  1913.97  147.732  1554.23  102.161  111.750   4.3312  100.790   3.3208 10.95942 5.457793 
1 1 1    6   12   56 o  115.819   3.3586  2053.07  118.727  2229.70  184.929  1929.22  154.856  120.482   5.0288  112.139   4.5243 8.342773 6.764517 
1 1 1    6   12   57 o   69.180   4.3218  737.110   90.799  733.674  251.161  737.626   97.385   66.803   12.784   69.156   4.6405 -2.352852 13.59985 
1 1 1    6   12   58 o   37.972   5.9331  227.630   66.514  217.275  182.306  229.220   71.439   37.990   13.033   38.014   6.3833 -0.2432251E-01 14.51261 
1 1 1    6   13    1 o  909.455   37.855 128966.60 10508.03 123624.50 14859.62 134310.20 14861.58  878.088   55.733  917.229   53.315 -39.14178 77.12708 
1 1 1    6   13    2 o  1055.46   26.627 171836.91  8577.85 165618.20  9443.94 201152.41 20504.66  1034.75   29.902  1116.21   60.410 -81.46460 67.40552 
1 1 1    6   13    3 o  380.807   23.660 22403.08  2736.39 22403.08  2736.39   0.0000   0.0000  380.807   23.660  ?   ?  0.000000 23.65967 
1 1 1    6   13    4 o  254.148   6.9486  9864.60  539.011  9835.31  591.882 10006.88  1304.72  253.750   7.6421  254.964   16.861 -1.213547 18.51185 
1 1 1    6   13    5 o  1117.55   37.473 194712.80 12782.11 209842.59 22142.68 187151.41 15653.61  1135.79   64.135  1088.99   47.095 46.79443 79.56896 
1 1 1    6   13    6 o  181.493   9.9237  5049.62  547.651   0.0000   0.0000  5049.62  547.651  ?   ?   181.493   9.9237 0.000000 9.923733 
1 1 1    6   13    7 o  623.409   14.091 59494.24  2681.22 58883.31  3199.30 60935.83  4914.49  619.779   16.912  628.686   25.611 -8.907593 30.69120 
1 1 1    6   13    8 o  917.353   21.613 129371.60  6051.68 123883.00  7222.69 142302.80 11086.31  896.073   26.408  954.830   38.040 -58.75714 46.30827 
1 1 1    6   13    9 o   69.912   4.0510  748.615   86.073  793.736   91.358  392.131  256.787   71.987   4.1758   50.491   15.322 21.49598 15.88109 
1 1 1    6   13   10 o  605.111   14.527 56069.96  2683.07 56592.31  2953.94 53607.21  6414.05  607.715   15.925  585.536   36.064 22.17957 39.42409 
1 1 1    6   13   11 o  287.243   8.3750 12606.21  734.265 12606.21  734.265   0.0000   0.0000  287.243   8.3750  ?   ?  0.000000 8.375032 
1 1 1    6   13   12 o  241.547   7.3159  8912.10  539.367  8912.10  539.367   0.0000   0.0000  241.547   7.3159  ?   ?  0.000000 7.315857 
1 1 1    6   13   13 o   85.985   3.2238  1128.51   84.606  1196.22  122.979  1067.67  116.580   88.400   4.5735   83.501   4.5919 4.899597 6.480932 
1 1 1    6   13   14 o  552.845   10.587 46736.25  1786.47 47469.31  2527.19 46004.04  2525.71  556.627   14.875  547.936   15.102 8.691101 21.19758 
1 1 1    6   13   15 o  366.586   9.1216 20540.13  1020.62   0.0000   0.0000 20540.13  1020.62  ?   ?   366.586   9.1216 0.000000 9.121640 
1 1 1    6   13   16 o  717.196   18.452 79012.49  4039.19 77657.46  4447.40 85393.88  9651.38  710.476   20.509  733.794   43.284 -23.31787 47.89670 
1 1 1    6   13   17 o  461.789   8.5520 32592.51  1205.39 32677.51  1267.44 31787.58  3900.25  462.356   8.9812  451.857   28.425 10.49930 29.80968 
1 1 1    6   13   18 o  527.221   12.087 42553.99  1945.09 42616.88  3578.69 42527.62  2317.24  525.625   22.306  526.708   14.414 -1.082642 26.55828 
1 1 1    6   13   19 o  356.108   5.8109 19368.38  631.603 19715.27  774.585 18680.12  1091.06  359.215   7.0648  349.434   10.230 9.781006 12.43223 
1 1 1    6   13   20 o  229.791   5.8263  8065.48  408.644  8411.42  451.232  6487.97  963.572  234.650   6.3003  204.978   15.516 29.67157 16.74671 
1 1 1    6   13   21 o  609.444   25.601 57742.57  4762.23 58588.84  6752.61 56905.16  6717.16  607.132   36.611  598.077   36.978 9.055420 52.03595 
1 1 1    6   13   22 o  238.505   11.467  8717.49  834.767   0.0000   0.0000  8717.49  834.767  ?   ?   238.505   11.467 0.000000 11.46701 
1 1 1    6   13   23 o   97.286   4.4238  1445.40  131.361   0.0000   0.0000  1445.40  131.361  ?   ?    97.286   4.4238 0.000000 4.423845 
1 1 1    6   13   24 o  420.981   7.8110 27110.81  1003.66 28778.44  1493.38 25737.08  1355.42  433.175   11.295  409.727   10.838 23.44812 15.65401 
1 1 1    6   13   25 o  375.080   8.3324 21534.17  953.922 22332.50  1137.15 19638.17  1752.46  381.759   9.7592  356.743   16.094 25.01563 18.82209 
1 1 1    6   13   26 f  184.765   4.7273  5215.29  266.594  5381.53  309.905  4742.10  522.856  187.657   5.4106  175.614   9.7935 12.04262 11.18874 
1 1 1    6   13   27 o  529.792   8.6154 42993.20  1393.15 42532.91  2056.26 43383.77  1894.14  525.778   12.813  531.375   11.679 -5.597473 17.33696 
1 1 1    6   13   28 o  145.483   4.2646  3233.12  189.367  3279.05  235.355  3148.81  318.901  146.476   5.2643  143.255   7.3178 3.220795 9.014604 
1 1 1    6   13   29 o  237.315   5.0236  8606.71  363.880  8331.01  545.999  8827.02  488.069  233.268   7.6687  240.207   6.6570 -6.938995 10.15499 
1 1 1    6   13   30 o  191.153   3.5166  5580.30  205.172  5116.96  377.264  5774.90  244.489  182.870   6.7590  194.432   4.1198 -11.56137 7.915636 
1 1 1    6   13   31 o  231.791   6.1082  8217.76  432.143  7896.60  502.883  9124.54  844.992  227.112   7.2545  243.575   11.366 -16.46255 13.48374 
1 1 1    6   13   32 o  124.894   3.5218  2382.36  134.255  2334.93  139.923  2932.44  476.499  123.639   3.7078  137.589   11.450 -13.95028 12.03579 
1 1 1    6   13   33 o  172.601   3.5271  4550.16  185.816  4158.02  251.077  5025.04  276.295  164.929   4.9876  181.310   4.9927 -16.38144 7.057145 
1 1 1    6   13   34 o  259.595   4.0522 10295.92  321.073  9826.57  401.093 11133.17  535.710  253.519   5.1834  269.706   6.5076 -16.18687 8.319686 
1 1 1    6   13   35 o  132.381   3.2097  2676.42  129.689  2604.99  164.721  2792.91  210.348  130.571   4.1332  135.157   5.0990 -4.585342 6.563754 
1 1 1    6   13   36 o  295.556   5.1357 13356.68  463.296 13698.10  677.584 13056.93  634.896  298.999   7.4247  291.963   7.1246 7.035400 10.29003 
1 1 1    6   13   37 o  214.731   3.8917  7044.71  255.064  8078.59  418.293  6432.76  321.817  229.775   5.9643  205.107   5.1406 24.66797 7.873920 
1 1 1    6   13   38 o  121.520   3.8073  2256.08  141.214  2358.02  160.476  1906.30  297.271  124.219   4.2326  111.092   8.8402 13.12652 9.801182 
1 1 1    6   13   39 o  147.515   3.3264  3323.71  149.771  3377.70  214.212  3272.07  209.484  148.645   4.7214  146.304   4.6911 2.341125 6.655736 
1 1 1    6   13   40 o  115.776   3.1429  2047.16  111.061  2038.48  161.802  2054.90  152.717  115.481   4.5905  115.956   4.3150 -0.4749832 6.300133 
1 1 1    6   13   41 o  146.314   4.6847  3272.69  209.213  3259.56  459.036  3276.13  235.045  145.165   10.430  146.358   5.2616 -1.193726 11.68177 
1 1 1    6   13   42 o  141.944   3.5285  3077.91  152.871  3202.71  240.448  2993.24  198.052  144.693   5.4445  139.927   4.6373 4.765991 7.151695 
1 1 1    6   13   43 o   68.352   3.5182  715.620   73.149  756.331  119.890  691.477   92.325   70.078   5.6532   67.102   4.5344 2.976280 7.247029 
1 1 1    6   13   44 o  175.530   3.2919  4706.57  176.368  4559.54  223.246  4950.71  287.674  172.712   4.2349  179.893   5.2393 -7.180634 6.736780 
1 1 1    6   13   45 o   29.029   5.3262  132.997   45.452  198.866   89.901  110.378   52.681   35.280   8.4584   26.327   6.5754 8.952978 10.71353 
1 1 1    6   13   46 o  493.873   5.9577 37355.70  898.066 39369.62  1866.88 36749.34  1024.38  504.213   12.131  489.568   6.8554 14.64548 13.93375 
1 1 1    6   13   47 o  122.305   2.3602  2284.20   88.107  2410.85  183.125  2246.05  100.504  125.533   4.7794  121.268   2.7153 4.265755 5.496860 
1 1 1    6   13   48 o  200.960   3.0239  6169.80  185.482  6500.00  265.012  5852.72  259.691  206.165   4.2115  195.617   4.3494 10.54767 6.054255 
1 1 1    6   13   49 o  159.494   3.7353  3889.05  181.838  3923.47  255.471  3853.69  258.879  160.062   5.2292  158.620   5.3472 1.442307 7.479090 
1 1 1    6   13   50 o   57.472   3.4563  506.741   60.347  664.454  119.020  452.165   70.015   65.547   6.0163   54.196   4.2671 11.35022 7.375873 
1 1 1    6   13   51 o   65.070   4.6999  651.736   92.715  724.461  213.965  634.924  102.875   67.506   10.745   64.145   5.3021 3.361687 11.98155 
1 1 1    6   13   52 o   32.574   7.2063  169.727   69.748  337.992  211.726  149.244   73.871   46.031   13.901   30.536   7.8747 15.49508 15.97621 
1 1 1    6   13   53 o  130.239   3.5342  2595.07  140.490  3125.37  412.634  2525.54  149.417  141.501   9.6110  128.457   3.8109 13.04471 10.33899 
1 1 1    6   13   54 o   97.245   3.1665  1446.46   93.987  1911.23  322.970  1403.46   98.239  110.344   9.6876   95.775   3.3606 14.56923 10.25390 
1 1 1    6   13   55 o  125.395   2.4348  2403.29   93.190  2774.52  205.202  2306.83  104.599  134.405   5.0021  122.824   2.7901 11.58091 5.727626 
1 1 1    6   13   56 o  119.456   8.0647  2227.60  292.324  2427.07  372.011  1905.62  472.642  124.022   9.9102  107.635   14.777 16.38728 17.79222 
1 1 1    6   13   57 o   59.182   5.0796  542.714   90.866  403.841  613.419  545.829   91.880   56.887   22.938   59.345   5.1227 -2.457798 23.50307 
1 1 1    6   14    0 o  672.778   40.511 70697.81  8249.83 70697.81  8249.83 70697.81  8249.83  672.778   40.511  672.778   40.511 -0.000000 0.000000 
1 1 1    6   14    1 o  712.718   29.504 78623.59  6418.26 86668.20  9077.96 70583.15  9075.61  742.859   40.187  667.873   44.780 74.98560 60.16846 
1 1 1    6   14    2 f  269.072   11.949 11074.85  981.310 12843.62  1394.23  9338.45  1381.42  289.077   15.862  245.991   18.535 43.08543 24.39589 
1 1 1    6   14    3 o  512.411   17.621 40274.83  2755.84 34660.04  4772.64 43083.30  3375.41  471.145   33.405  529.431   20.888 -58.28647 39.39811 
1 1 1    6   14    4 o  706.380   17.330 76526.88  3736.43 76403.37  4112.92 77110.41  8939.49  705.435   19.102  699.518   42.065 5.917358 46.19893 
1 1 1    6   14    5 o  290.930   12.903 12952.85  1145.81  9620.82  1615.75 16323.63  1625.12  249.227   21.449  326.328   16.316 -77.10136 26.94973 
1 1 1    6   14    6 o  643.728   26.873 64008.53  5280.06 66195.76  7468.52 61822.93  7465.75  649.802   37.820  627.291   39.189 22.51129 54.46233 
1 1 1    6   14    7 o  1089.98   25.390 183304.70  8446.87 186703.41  9300.58 167299.70 20182.87  1098.89   27.729  1008.65   65.921 90.24341 71.51519 
1 1 1    6   14    8 o  825.460   22.224 104876.40  5599.25 104876.40  5599.25   0.0000   0.0000  825.460   22.224  ?   ?  0.000000 22.22375 
1 1 1    6   14    9 o  230.437   6.9373  8110.73  487.934  7561.69  535.341 10805.32  1185.97  222.473   7.8838  265.178   14.710 -42.70494 16.68985 
1 1 1    6   14   10 o  309.088   8.8963 14600.66  839.282 14600.66  839.282   0.0000   0.0000  309.088   8.8963  ?   ?  0.000000 8.896277 
1 1 1    6   14   11 o  461.764   8.8543 32588.09  1247.93 35034.66  1765.43 30144.82  1764.24  478.484   12.088  443.741   13.026 34.74231 17.77090 
1 1 1    6   14   12 o  697.347   13.219 74462.64  2813.59 76541.05  3979.50 72385.23  3978.54  705.889   18.470  686.331   18.992 19.55865 26.49250 
1 1 1    6   14   13 o  468.483   11.458 33582.42  1638.44   0.0000   0.0000 33582.42  1638.44  ?   ?   468.483   11.458 0.000000 11.45829 
1 1 1    6   14   14 o  250.164   7.4956  9561.94  572.331   0.0000   0.0000  9561.94  572.331  ?   ?   250.164   7.4956 0.000000 7.495594 
1 1 1    6   14   15 o   63.818   4.4206  624.799   85.577   0.0000   0.0000  624.799   85.577  ?   ?    63.818   4.4206 0.000000 4.420584 
1 1 1    6   14   16 o   49.490   3.5567  375.825   53.367  462.635   81.736  311.319   70.458   54.821   4.9378   44.846   5.2466 9.975040 7.204807 
1 1 1    6   14   17 o  530.151   11.119 43028.44  1799.22 43510.70  2090.60 41651.02  3533.18  532.831   12.855  519.131   22.298 13.69946 25.73825 
1 1 1    6   14   18 o   83.921   4.9533  1079.27  126.314  1125.84  139.430  866.097  298.317   85.689   5.3580   73.975   13.717 11.71448 14.72666 
1 1 1    6   14   19 o  610.993   15.544 57392.97  2898.81 66383.38  6943.94 55495.52  3190.08  646.451   35.327  600.248   17.412 46.20306 39.38461 
1 1 1    6   14   20 o  177.831   4.2338  4829.08  229.804  4732.57  325.187  4925.36  324.797  175.990   6.0538  179.543   5.9269 -3.553421 8.472100 
1 1 1    6   14   21 o  392.170   9.2749 23545.89  1110.20 23424.61  1322.96 23834.66  2041.38  390.893   11.088  393.098   17.014 -2.204254 20.30837 
1 1 1    6   14   22 o   95.341   8.8562  1403.51  254.772   0.0000   0.0000  1403.51  254.772  ?   ?    95.341   8.8562 0.000000 8.856153 
1 1 1    6   14   23 o  118.846   4.4332  2157.40  160.812  2219.67  614.599  2152.83  166.616  118.583   17.507  118.716   4.5982 -0.1331177 18.10092 
1 1 1    6   14   24 o   27.984   11.195   58.016  144.854  246.817  458.528   37.085  152.673   51.301   20.109   27.572   11.321 23.72862 23.07661 
1 1 1    6   14   25 o  106.207   6.6191  1731.88  213.503  1614.43  556.416  1752.16  231.201  100.401   18.849  106.777   7.1351 -6.375694 20.15453 
1 1 1    6   14   26 o  313.215   4.9051 14990.70  468.929 14375.40  792.903 15321.67  581.529  306.333   8.4802  316.552   6.0188 -10.21848 10.39905 
1 1 1    6   14   27 o  214.478   5.7331  7032.97  375.313  6525.66  478.946  7840.15  604.137  206.457   7.6005  226.180   8.7511 -19.72343 11.59092 
1 1 1    6   14   28 o  187.155   3.9847  5350.38  227.620  5063.20  358.595  5544.17  294.573  181.928   6.4579  190.460   5.0672 -8.532486 8.208587 
1 1 1    6   14   29 o  136.029   3.5442  2826.05  147.152  2765.74  240.837  2861.98  185.886  134.482   5.8674  136.862   4.4499 -2.379669 7.363918 
1 1 1    6   14   30 o   80.474   2.5255  988.727   62.033  867.300   95.898  1076.09   81.343   75.228   4.1932   83.945   3.1747 -8.716919 5.259441 
1 1 1    6   14   31 o  340.019   6.2883 17689.27  652.613 17298.97  854.427 18235.82  1011.10  335.921   8.3334  344.641   9.6119 -8.719971 12.72139 
1 1 1    6   14   32 o  255.477   6.1456  9986.21  479.215  9929.60  513.535 10367.79  1333.24  254.702   6.6057  257.589   17.054 -2.887466 18.28868 
1 1 1    6   14   33 f   33.452   8.1059  178.431   81.897  163.908   91.890  234.515  180.578   32.227   8.9977   39.701   12.961 -7.474751 15.77767 
1 1 1    6   14   34 o  184.003   3.2611  5170.94  183.150  5435.10  485.409  5127.10  197.768  188.231   8.4489  183.209   3.5367 5.022675 9.159225 
1 1 1    6   14   35 o   92.308   3.3482  1301.45   94.334  1202.01  143.881  1376.43  124.934   88.493   5.3521   94.904   4.3130 -6.410477 6.873621 
1 1 1    6   14   36 o  190.274   4.1286  5532.29  239.773  5488.05  340.627  5575.75  337.574  189.386   5.8927  190.902   5.7935 -1.515549 8.263692 
1 1 1    6   14   37 o  175.548   3.9535  4708.64  211.831  5056.05  317.774  4430.80  284.181  181.790   5.7271  170.197   5.4705 11.59261 7.919935 
1 1 1    6   14   38 o   90.165   2.6773  1241.38   73.682  1229.16  128.722  1247.34   89.859   89.544   4.7265   90.370   3.2578 -0.8257904 5.740484 
1 1 1    6   14   39 o  312.057   4.9196 14889.20  468.575 15076.29  765.869 14777.26  592.387  313.527   8.0032  310.703   6.2466 2.823944 10.15236 
1 1 1    6   14   40 f  105.246   2.8187  1691.51   90.547  1582.51  175.944  1730.78  105.606  101.541   5.7000  106.450   3.2503 -4.908829 6.561626 
1 1 1    6   14   41 o  308.213   5.6514 14535.46  531.650 12239.72  1788.69 14757.93  556.815  277.352   21.292  310.530   5.8748 -33.17841 22.08749 
1 1 1    6   14   42 o  167.146   2.9342  4266.75  149.695  4335.01  223.803  4211.49  201.372  168.403   4.3541  166.008   3.9742 2.394089 5.895136 
1 1 1    6   14   43 o   88.239   3.4435  1189.51   92.741  1156.43  143.339  1213.33  121.629   86.764   5.4401   88.971   4.4934 -2.207138 7.055901 
1 1 1    6   14   44 o  221.469   3.7450  7495.38  253.150  8367.62  437.916  7057.61  310.239  233.736   6.1383  214.818   4.7316 18.91833 7.750272 
1 1 1    6   14   45 o  233.731   3.4951  8347.58  249.337  8240.17  362.259  8444.27  343.704  232.058   5.1145  234.952   4.7928 -2.894348 7.009233 
1 1 1    6   14   46 o  137.649   2.7755  2894.02  116.609  2880.76  173.955  2904.84  157.143  137.262   4.1521  137.859   3.7346 -0.5974884 5.584551 
1 1 1    6   14   47 o  194.541   4.4434  5789.29  263.841  6047.66  361.886  5496.12  385.485  198.648   5.9686  189.274   6.6727 9.374313 8.952551 
1 1 1    6   14   48 o  179.336   5.0112  4924.11  274.297  4936.98  301.971  4863.35  655.910  179.509   5.5114  176.409   12.258 3.100052 13.43981 
1 1 1    6   14   49 o   91.610   3.2833  1282.73   91.807  1533.69  140.255  1094.60  121.438  100.098   4.5907   84.425   4.7318 15.67327 6.592693 
1 1 1    6   14   50 f  217.196   3.1406  7210.54  208.202  7867.72  301.495  6611.45  287.862  226.715   4.3569  207.802   4.5385 18.91345 6.291368 
1 1 1    6   14   51 o  264.319   3.8985 10690.85  314.516 11720.78  1399.62 10636.08  322.771  269.787   17.085  263.621   4.0114 6.166382 17.54978 
1 1 1    6   14   52 o  136.062   4.8463  2838.61  201.264  3215.92  517.887  2771.48  218.434  142.651   12.006  134.378   5.3257 8.273071 13.13423 
1 1 1    6   14   53 o  207.431   5.3972  6610.18  341.712  7736.01  1157.55  6502.70  357.651  217.016   17.628  205.660   5.6976 11.35564 18.52586 
1 1 1    6   14   54 o  114.593   4.2708  2013.43  149.377  2141.32  220.279  1904.55  203.250  117.726   6.1517  111.038   6.0196 6.687767 8.606917 
1 1 1    6   14   55 o   51.413   11.518  434.048  176.268  390.246  210.579  536.584  322.184   48.557   13.643   56.467   17.169 -7.910229 21.92973 
1 1 1    6   14   56 o  161.189   5.0804  3997.39  249.948  5077.27  665.431  3820.00  269.696  177.815   12.337  157.432   5.6126 20.38318 13.55381 
1 1 1    6   15    0 o  593.413   35.906 54928.27  6448.87 54928.27  6448.87 54928.27  6448.87  593.413   35.906  593.413   35.906 0.000000 0.000000 
1 1 1    6   15    1 f  747.695   31.274 86866.07  7137.21 87932.45 10094.17 85799.96 10092.92  744.238   44.643  734.757   45.224 9.480835 63.54697 
1 1 1    6   15    2 o  524.873   16.850 42265.62  2699.45 39578.75  4675.78 43608.89  3306.06  504.021   30.538  532.508   20.341 -28.48773 36.69231 
1 1 1    6   15    3 o  551.064   12.474 46479.03  2098.07 46756.41  2502.44 45822.68  3849.38  552.371   14.843  545.227   23.131 7.144409 27.48374 
1 1 1    6   15    4 o  431.435   19.041 28601.95  2507.41   0.0000   0.0000 28601.95  2507.41  ?   ?   431.435   19.041 0.000000 19.04114 
1 1 1    6   15    5 o  812.036   34.244 102899.80  8487.52 99304.27 12005.37 106492.70 12000.96  786.414   50.279  815.938   48.405 -29.52325 69.79240 
1 1 1    6   15    6 o  501.567   12.724 38513.67  1947.92 38159.35  2144.21 40187.41  4660.28  499.078   14.076  507.806   30.204 -8.727203 33.32268 
1 1 1    6   15    7 o  169.551   6.2019  4390.58  320.956  3825.72  350.674  7305.82  796.658  158.247   7.2602  218.155   12.011 -59.90839 14.03446 
1 1 1    6   15    8 o  562.418   12.312 48422.23  2113.44 49940.75  2521.06 44831.85  3876.54  570.833   14.470  538.959   23.565 31.87445 27.65305 
1 1 1    6   15    9 o  919.792   57.270 138424.20 15998.24 138424.20 15998.24   0.0000   0.0000  919.792   57.270  ?   ?  0.000000 57.26973 
1 1 1    6   15   10 o  224.655   10.855  7722.03  744.344  8053.78  1057.95  7396.82  1047.45  228.646   15.247  219.005   15.775 9.641113 21.93926 
1 1 1    6   15   11 o  251.507   16.797  9757.74  1282.01   0.0000   0.0000  9757.74  1282.01  ?   ?   251.507   16.797 0.000000 16.79695 
1 1 1    6   15   12 o  475.272   29.099 35292.20  4200.84   0.0000   0.0000 35292.20  4200.84  ?   ?   475.272   29.099 0.000000 29.09867 
1 1 1    6   15   13 o  250.931   11.924  9643.96  913.230   0.0000   0.0000  9643.96  913.230  ?   ?   250.931   11.924 0.000000 11.92366 
1 1 1    6   15   14 o  171.217   9.3846  4497.93  488.566  4436.02  698.761  4557.14  683.368  169.527   13.619  171.908   13.123 -2.381104 18.91293 
1 1 1    6   15   15 o  315.683   7.3580 15232.63  708.971 15752.74  842.935 13975.17  1310.68  320.935   8.6052  301.722   14.232 19.21249 16.63144 
1 1 1    6   15   16 o  442.857   9.7804 30020.64  1322.02 31170.86  1576.32 27293.21  2427.35  451.010   11.451  420.536   18.911 30.47461 22.10761 
1 1 1    6   15   17 o  179.962   4.0511  4945.30  222.520  5370.71  330.990  4594.47  300.584  187.489   5.7839  173.415   5.6789 14.07411 8.105767 
1 1 1    6   15   18 o  287.364   5.7299 12617.61  502.569 12469.29  747.535 12739.94  678.892  285.455   8.5798  288.612   7.7067 -3.156891 11.53283 
1 1 1    6   15   19 o  296.142   7.7293 13415.94  698.643 13504.51  768.330 12993.08  1678.87  297.047   8.4743  289.075   19.136 7.971985 20.92854 
1 1 1    6   15   20 o  152.549   8.9832  3576.03  416.421  3748.15  604.919  3421.00  574.106  155.645   12.848  148.662   12.777 6.982727 18.11962 
1 1 1    6   15   21 o  210.499   6.1538  6774.05  395.374  6774.05  395.374   0.0000   0.0000  210.499   6.1538  ?   ?  0.000000 6.153754 
1 1 1    6   15   22 o  227.268   3.9651  7888.55  275.050  8038.71  453.118  7800.94  346.109  229.273   6.4750  225.950   5.0186 3.323502 8.192220 
1 1 1    6   15   23 o  605.789   14.304 56597.43  2644.80 55794.65  3156.80 58487.87  4844.29  600.061   17.236  608.468   26.084 -8.407227 31.26429 
1 1 1    6   15   24 o  269.607   6.9645 11121.94  573.109 10916.36  683.589 11608.28  1051.42  266.946   8.3899  274.637   12.543 -7.690430 15.09021 
1 1 1    6   15   25 o  261.224   5.3758 10430.76  428.622  9885.14  642.167 10869.13  575.606  254.018   8.2826  266.499   7.0764 -12.48074 10.89390 
1 1 1    6   15   26 o  155.086   5.0370  3676.00  238.429  4182.38  754.416  3619.81  251.310  163.754   15.270  153.882   5.3506 9.872482 16.18033 
1 1 1    6   15   27 o  167.835   6.8190  4310.97  349.317  4227.25  782.543  4331.81  390.368  164.472   15.782  168.182   7.6046 -3.709991 17.51867 
1 1 1    6   15   28 o  324.510   8.0089 16135.99  793.262 15929.41  859.329 17326.58  2063.01  322.303   8.7353  332.014   20.457 -9.711792 22.24425 
1 1 1    6   15   29 o  392.167   7.4579 23556.43  892.698 22354.36  1208.27 25001.26  1324.67  381.382   10.380  403.224   10.763 -21.84116 14.95287 
1 1 1    6   15   30 o  484.087   12.065 36116.83  1782.59 35422.02  1932.28 40087.12  4619.03  478.939   13.218  496.154   30.651 -17.21518 33.38002 
1 1 1    6   15   31 o  108.491   2.9713  1797.38   98.390  1719.09  128.403  1908.73  153.131  106.076   3.9659  111.756   4.4892 -5.680580 5.990138 
1 1 1    6   15   32 o  155.204   3.0443  3678.64  144.216  3534.08  187.143  3890.02  226.294  152.086   4.0315  159.530   4.6474 -7.444290 6.152367 
1 1 1    6   15   33 o  186.588   4.8278  5322.38  274.946  5758.59  605.171  5208.92  308.638  193.224   10.298  184.543   5.4794 8.681015 11.66540 
1 1 1    6   15   34 o  132.383   2.9482  2676.32  119.124  3111.44  215.944  2485.99  142.821  142.654   4.9595  127.566   3.6681 15.08767 6.168625 
1 1 1    6   15   35 o  192.307   5.0389  5654.88  295.766  5968.04  614.640  5560.51  337.398  196.695   10.274  190.636   5.7986 6.059753 11.79698 
1 1 1    6   15   36 o  303.877   5.6724 14127.40  526.115 15468.00  714.286 12537.60  777.848  317.697   7.3662  285.747   8.9186 31.95068 11.56727 
1 1 1    6   15   37 o  276.840   5.3661 11722.48  453.427 11864.79  642.494 11581.27  639.999  278.207   7.5663  274.853   7.6289 3.354340 10.74471 
1 1 1    6   15   38 o   63.045   2.7534  606.954   52.983  710.707  101.635  568.235   62.087   67.999   4.9305   60.900   3.3531 7.098415 5.962599 
1 1 1    6   15   39 o  196.435   4.1473  5897.02  248.659  6663.71  689.516  5782.41  266.599  207.676   10.916  194.493   4.4909 13.18309 11.80379 
1 1 1    6   15   40 o  158.387   3.9654  3833.53  191.702   0.0000   0.0000  3833.53  191.702  ?   ?   158.387   3.9654 0.000000 3.965431 
1 1 1    6   15   41 o  199.258   4.3366  6069.30  263.744  6143.48  382.108  6001.79  364.495  200.294   6.2503  197.994   6.0315 2.299789 8.685910 
1 1 1    6   15   42 f   91.730   3.6253  1285.69  101.500  1600.98  178.290  1134.50  123.459  102.107   5.7441   86.002   4.7213 16.10458 7.435436 
1 1 1    6   15   43 o  163.403   2.8008  4077.95  139.686  4270.17  203.844  3907.78  191.797  167.143   3.9957  159.898   3.9299 7.245468 5.604447 
1 1 1    6   15   44 o  268.243   3.7111 10996.91  303.841 11034.80  546.126 10979.92  365.658  268.273   6.6696  267.948   4.4710 0.3247986 8.029538 
1 1 1    6   15   45 o  165.717   3.0200  4195.35  152.754  4245.04  216.013  4145.65  216.040  166.612   4.2477  164.646   4.2990 1.966064 6.043551 
1 1 1    6   15   46 o  137.740   4.4283  2902.32  186.173  2463.18  353.976  3070.25  218.894  126.057   9.2650  141.617   5.0641 -15.56060 10.55864 
1 1 1    6   15   47 o  177.886   3.3951  4836.55  184.335  4598.98  284.238  5009.00  242.166  173.263   5.3748  180.937   4.3850 -7.674286 6.936579 
1 1 1    6   15   48 o  142.436   3.8313  3102.81  166.565  3108.79  253.781  3098.28  220.771  142.372   5.8401  142.216   5.0860 0.1560211 7.744260 
1 1 1    6   15   49 f  194.154   3.1212  5761.85  184.963  5707.95  243.000  5836.10  285.191  193.130   4.1223  195.193   4.7869 -2.062668 6.317266 
1 1 1    6   15   50 o  204.136   3.7076  6375.42  231.010  7128.15  916.675  6324.38  238.715  211.821   14.262  203.298   3.8471 8.522919 14.77126 
1 1 1    6   15   51 o   57.306   3.5226  504.332   61.316  306.022  236.504  518.622   63.487   44.663   14.845   58.107   3.5973 -13.44391 15.27430 
1 1 1    6   15   52 o   83.570   3.9949  1069.80  101.901  1250.42  165.701  959.941  129.225   89.933   6.0721   78.862   5.4012 11.07152 8.126679 
1 1 1    6   15   53 o  308.497   6.5248 14685.73  614.382 14990.99  706.117 13734.54  1246.46  311.177   7.4345  292.640   13.955 18.53671 15.81180 
1 1 1    6   15   54 o   46.071   17.992  254.671  366.039   0.0000   0.0000  254.671  366.039  ?   ?    46.071   17.992 0.000000 17.99205 
1 1 1    6   15   55 o   80.580   4.6305  1000.93  113.408  1188.05  726.796  996.258  114.815   79.157   26.009   80.379   4.7004 -1.221581 26.43062 
1 1 1    6   16    0 o  285.795   18.891 12674.64  1631.35 12674.64  1631.35 12674.64  1631.35  285.795   18.891  285.795   18.891 -0.000000 0.000000 
1 1 1    6   16    1 o  422.959   10.705 27373.05  1381.93 27290.06  1520.28 27767.80  3315.48  422.199   11.797  422.584   25.829 -0.3853455 28.39568 
1 1 1    6   16    2 o  373.514   23.378 21640.68  2651.77 21640.68  2651.77   0.0000   0.0000  373.514   23.378  ?   ?  0.000000 23.37790 
1 1 1    6   16    3 o  510.009   21.616 40129.27  3364.90 38303.92  4758.65 41954.68  4758.72  494.268   31.710  517.989   30.230 -23.72162 43.81121 
1 1 1    6   16    4 o  332.499   8.7498 16902.67  887.986 16734.64  976.485 17705.63  2134.63  330.776   9.6720  338.268   20.775 -7.492676 22.91655 
1 1 1    6   16    5 o  219.858   6.8006  7385.09  456.356  6944.76  500.988  9531.26  1106.04  213.169   7.6999  248.842   14.627 -35.67291 16.52963 
1 1 1    6   16    6 o  273.682   10.372 11461.38  866.438  9953.36  1495.73 12222.97  1062.94  253.467   19.483  282.474   12.329 -29.00754 23.05590 
1 1 1    6   16    7 o  328.857   11.672 16562.01  1171.62 17545.84  2029.85 16070.49  1434.74  336.814   19.833  323.632   14.525 13.18207 24.58242 
1 1 1    6   16    8 o   75.035   10.269  877.579  229.021   0.0000   0.0000  877.579  229.021  ?   ?    75.035   10.269 0.000000 10.26939 
1 1 1    6   16    9 o  125.910   9.2656  2438.23  353.581   0.0000   0.0000  2438.23  353.581  ?   ?   125.910   9.2656 0.000000 9.265592 
1 1 1    6   16   10 o  347.799   22.039 18792.64  2327.46   0.0000   0.0000 18792.64  2327.46  ?   ?   347.799   22.039 0.000000 22.03878 
1 1 1    6   16   11 o  219.936   15.297  7470.13  1020.50   0.0000   0.0000  7470.13  1020.50  ?   ?   219.936   15.297 0.000000 15.29711 
1 1 1    6   16   12 o  304.757   6.1411 14191.47  571.237 15165.51  808.629 13221.16  807.077  314.874   8.4139  293.948   8.9955 20.92514 12.31717 
1 1 1    6   16   13 o  106.723   3.1686  1738.83  103.215  2001.45  151.449  1511.06  141.043  114.482   4.3342   99.468   4.6457 15.01368 6.353549 
1 1 1    6   16   14 o  130.666   3.4490  2606.75  137.554  2638.19  202.212  2579.67  187.663  131.419   5.0412  129.960   4.7310 1.458710 6.913452 
1 1 1    6   16   15 o  458.054   10.792 32165.66  1508.82 32994.93  3919.90 32021.43  1634.77  457.120   28.233  456.840   11.724 0.2806091 30.57055 
1 1 1    6   16   16 o  383.965   13.580 22672.36  1591.52 22825.92  2758.38 22595.73  1948.58  381.571   23.803  382.572   16.687 -1.000580 29.06979 
1 1 1    6   16   17 o  112.872   6.8570  1955.47  235.111  2389.70  417.664  1754.05  284.462  124.305   11.126  106.664   8.8166 17.64149 14.19580 
1 1 1    6   16   18 f   56.780   4.6068  495.742   79.150  471.841   88.476  591.524  177.114   55.314   5.3056   61.369   9.7841 -6.054951 11.13006 
1 1 1    6   16   19 o  155.967   4.6809  3716.42  222.831  3835.75  240.654  2999.19  590.004  158.440   4.9764  138.808   14.123 19.63229 14.97373 
1 1 1    6   16   20 o  131.507   3.7933  2641.23  152.260  2641.23  152.260   0.0000   0.0000  131.507   3.7933  ?   ?  0.000000 3.793345 
1 1 1    6   16   21 o  125.248   3.8393  2395.92  146.770  2395.92  146.770   0.0000   0.0000  125.248   3.8393  ?   ?  0.000000 3.839271 
1 1 1    6   16   22 o  319.246   7.8600 15607.40  765.891 15582.29  830.693 15749.74  1977.97  318.891   8.5346  316.920   20.559 1.971405 22.26014 
1 1 1    6   16   23 o  231.147   4.5937  8163.79  324.093  8602.57  461.893  7738.27  454.862  237.143   6.3814  224.894   6.6265 12.24884 9.199592 
1 1 1    6   16   24 o  269.241   10.109 11130.62  830.753 12530.52  1495.77 10506.17  999.004  283.490   17.370  261.153   12.533 22.33685 21.41970 
1 1 1    6   16   25 o  150.179   5.5796  3448.60  255.760  3378.78  279.375  3810.01  635.616  148.620   6.1588  156.574   13.430 -7.954605 14.77499 
1 1 1    6   16   26 o  128.570   5.6370  2527.85  221.211  2386.84  240.538  3301.04  563.258  124.739   6.3386  145.766   12.789 -21.02737 14.27383 
1 1 1    6   16   27 o  290.984   8.6208 12985.77  765.651 12985.77  765.651   0.0000   0.0000  290.984   8.6208  ?   ?  0.000000 8.620755 
1 1 1    6   16   28 o  156.400   3.6825  3736.52  175.791  4196.72  273.180  3411.28  229.658  165.663   5.4026  149.378   5.0371 16.28517 7.386516 
1 1 1    6   16   29 o  328.762   6.1609 16539.46  618.219 15583.65  877.780 17480.22  870.847  318.629   9.0257  337.582   8.4517 -18.95227 12.36511 
1 1 1    6   16   30 o   33.634   5.5293  177.558   54.790  192.333   59.850  101.091  136.157   34.995   5.8068   29.684   11.124 5.310884 12.54837 
1 1 1    6   16   31 o  244.087   4.5629  9106.53  339.939  9186.79  389.393  8849.41  696.992  245.102   5.2050  239.991   9.5152 5.111633 10.84576 
1 1 1    6   16   32 o   47.579   5.1218  350.157   73.208  491.455  376.834  344.615   74.630   57.032   18.728   47.178   5.2730 9.854649 19.45590 
1 1 1    6   16   33 o  363.415   6.7073 20225.60  743.997 20252.43  1107.84 20203.56  1004.13  362.888   10.002  362.697   9.0705 0.1908569 13.50235 
1 1 1    6   16   34 f  268.568   6.7186 11046.47  550.742 11492.78  1037.55 10871.39  649.851  272.773   12.462  266.236   7.9970 6.536652 14.80728 
1 1 1    6   16   35 o  276.960   5.3981 11733.14  456.322 11022.52  1497.84 11805.85  479.096  264.543   18.670  277.786   5.6506 -13.24341 19.50659 
1 1 1    6   16   36 o   92.528   15.038  1362.29  410.106   0.0000   0.0000  1362.29  410.106  ?   ?    92.528   15.038 0.000000 15.03763 
1 1 1    6   16   37 o  265.752   7.0940 10822.15  575.418 10993.22  634.709 10032.70  1363.48  267.736   7.7670  252.587   17.800 15.14861 19.42030 
1 1 1    6   16   38 o  235.746   4.8604  8498.35  349.733   0.0000   0.0000  8498.35  349.733  ?   ?   235.746   4.8604 0.000000 4.860439 
1 1 1    6   16   39 o  151.003   3.2505  3483.03  149.814  3289.38  298.682  3548.13  173.173  146.528   6.6784  152.386   3.7232 -5.857803 7.646142 
1 1 1    6   16   40 o  125.523   2.9427  2406.47  112.741  2600.78  144.072  2099.51  181.080  130.466   3.6180  117.154   5.0640 13.31216 6.223653 
1 1 1    6   16   41 o  136.751   3.4843  2857.31  145.433  2874.70  221.462  2844.12  192.842  137.062   5.2937  136.374   4.6329 0.6882019 7.034729 
1 1 1    6   16   42 o  132.547   3.7861  2685.09  153.173  2630.87  164.898  3026.20  413.603  131.184   4.1183  139.809   9.7535 -8.625488 10.58728 
1 1 1    6   16   43 o  198.176   3.4180  6001.23  206.749  5724.55  328.477  6182.75  266.064  193.351   5.5660  201.073   4.3353 -7.722153 7.055117 
1 1 1    6   16   44 o   99.580   3.0634  1514.98   93.110  1448.20  155.630  1552.22  116.201   97.114   5.2701  100.768   3.7781 -3.653198 6.484476 
1 1 1    6   16   45 o  237.464   4.6462  8629.11  336.751  9124.86  462.808  8071.33  490.908  243.927   6.2162  229.261   7.0154 14.66591 9.373191 
1 1 1    6   16   46 o  197.052   3.9455  5938.55  237.303  6028.45  257.797  5439.61  607.316  198.503   4.2549  187.038   10.682 11.46527 11.49871 
1 1 1    6   16   47 o  116.546   3.7708  2077.37  134.135  2128.67  146.206  1804.60  337.131  117.956   4.0610  107.384   10.417 10.57177 11.18053 
1 1 1    6   16   48 o   57.497   4.5322  509.367   78.891  523.897   87.017  442.282  186.974   58.265   4.9395   52.204   11.987 6.061096 12.96519 
1 1 1    6   16   49 o   17.570   7.0963   20.633   58.814 -53.4482  209.042   27.001   61.290   28.171   12.431   18.359   7.3023 9.812550 14.41686 
1 1 1    6   16   50 o  105.152   3.3729  1691.51  108.254  2212.70  399.242  1650.15  112.468  118.363   11.184  103.845   3.5483 14.51706 11.73302 
1 1 1    6   16   51 o   93.562   3.0254  1338.86   86.396  1620.77  172.591  1244.59   99.800  102.532   5.5354   90.165   3.6264 12.36771 6.617557 
1 1 1    6   16   52 o  102.026   6.6849  1614.23  207.021  1614.23  207.021   0.0000   0.0000  102.026   6.6849  ?   ?  0.000000 6.684913 
1 1 1    6   16   53 o   76.170   12.244  944.643  275.013   0.0000   0.0000  944.643  275.013  ?   ?    76.170   12.244 0.000000 12.24392 
1 1 1    6   16   54 o  132.909   7.1314  2747.92  288.242  2761.32  417.062  2735.66  398.822  131.821   10.451  131.413   10.019 0.4084930 14.47771 
1 1 1    6   17    0 o  438.292   27.126 29962.55  3596.91 29962.55  3596.91 29962.55  3596.91  438.292   27.126  438.292   27.126 -0.000000 0.000000 
1 1 1    6   17    1 o  373.610   9.8148 21367.07  1119.22 20947.55  1230.93 23368.88  2688.84  369.793   10.906  387.492   22.835 -17.69940 25.30595 
1 1 1    6   17    2 o  428.230   18.315 28285.13  2393.84 29659.43  3388.25 26915.45  3382.56  435.618   25.596  414.402   26.888 21.21594 37.12271 
1 1 1    6   17    3 o  337.455   14.701 17499.93  1514.22 19075.98  2147.22 15940.75  2135.69  350.704   20.144  319.982   22.001 30.72269 29.82990 
1 1 1    6   17    4 o  396.316   17.455 24210.05  2111.40 21731.04  2989.43 26677.63  2982.52  372.211   26.486  413.650   23.722 -41.43918 35.55655 
1 1 1    6   17    5 o  387.161   9.6007 22946.18  1134.52 21076.97  1350.73 27423.62  2090.52  370.745   11.936  422.045   16.228 -51.30026 20.14552 
1 1 1    6   17    6 o  405.499   25.234 25735.08  3107.68   0.0000   0.0000 25735.08  3107.68  ?   ?   405.499   25.234 0.000000 25.23408 
1 1 1    6   17    7 o  417.108   17.602 26843.46  2240.86   0.0000   0.0000 26843.46  2240.86  ?   ?   417.108   17.602 0.000000 17.60151 
1 1 1    6   17    8 o  431.988   16.548 28766.36  2181.90   0.0000   0.0000 28766.36  2181.90  ?   ?   431.988   16.548 0.000000 16.54801 
1 1 1    6   17    9 o   57.491   12.580  527.104  214.608  417.723  330.966  606.460  281.906   53.224   17.555   61.560   15.114 -8.336018 23.16482 
1 1 1    6   17   10 o  339.450   15.041 17743.11  1558.36 16972.40  2198.36 18521.56  2209.39  329.645   21.975  344.723   21.100 -15.07748 30.46494 
1 1 1    6   17   11 o  312.226   14.144 15001.12  1347.94 15900.28  1905.06 14099.66  1907.48  319.659   19.620  300.543   20.925 19.11621 28.68445 
1 1 1    6   17   12 o  157.498   9.6209  3814.87  460.276  3833.95  655.056  3796.27  646.879  157.264   13.786  156.501   13.680 0.7625275 19.42125 
1 1 1    6   17   13 o  467.684   16.188 33778.24  2310.84 35144.65  4002.34 33094.96  2830.24  470.836   27.976  461.463   20.094 9.372406 34.44451 
1 1 1    6   17   14 o  157.395   7.5912  3791.05  364.687  4110.55  618.678  3620.92  451.459  163.041   12.528  153.390   9.6927 9.651459 15.83987 
1 1 1    6   17   15 o  290.402   6.9862 12901.35  619.236 13144.62  735.555 12309.42  1147.39  292.991   8.2252  282.769   13.294 10.22134 15.63289 
1 1 1    6   17   16 o   73.302   3.8890  822.948   86.698  878.504   96.796  597.568  194.961   75.720   4.2047   61.507   10.778 14.21318 11.56896 
1 1 1    6   17   17 o  171.297   5.3440  4484.84  279.402  4474.37  304.593  4540.40  701.650  171.072   5.8334  171.132   13.544 -0.6021118E-01 14.74646 
1 1 1    6   17   18 f   85.836   4.1754  1125.50  109.393  1169.89  116.084  773.388  326.939   87.509   4.3461   69.364   15.796 18.14569 16.38304 
1 1 1    6   17   19 o  179.146   5.8197  4907.18  318.219  4651.53  347.655  6227.98  790.207  174.374   6.5321  200.653   12.972 -26.27937 14.52386 
1 1 1    6   17   20 o  131.337   7.3912  2649.17  295.089  3072.41  390.240  2084.00  450.950  141.258   9.0995  115.579   13.009 25.67857 15.87567 
1 1 1    6   17   21 o   81.757   3.4722  1020.82   86.645  1029.28   91.175  941.970  278.332   82.092   3.6388   77.302   12.201 4.789528 12.73233 
1 1 1    6   17   22 o   87.911   3.4248  1180.29   91.897  1409.12  154.144  1054.11  114.462   95.862   5.2887   82.933   4.5391 12.92908 6.969475 
1 1 1    6   17   23 o  191.580   5.8348  5613.56  341.187  5637.13  377.060  5507.07  801.460  191.937   6.4363  188.269   14.048 3.668152 15.45258 
1 1 1    6   17   24 o  246.435   9.6136  9324.90  723.113  9985.28  1311.36  9036.37  866.808  252.810   17.095  242.233   11.724 10.57686 20.72893 
1 1 1    6   17   25 o  112.822   2.7341  1943.55   94.149  2070.55  163.604  1880.67  115.122  116.395   4.6051  110.966   3.3990 5.428932 5.723673 
1 1 1    6   17   26 o  261.396   6.7174 10460.77  535.942 10412.40  581.245 10735.27  1384.68  260.715   7.3043  261.894   17.422 -1.178680 18.89095 
1 1 1    6   17   27 o  273.461   12.930 11550.97  1079.19 11703.14  1573.71 11415.88  1482.75  272.751   19.023  269.743   18.115 3.007843 26.26777 
1 1 1    6   17   28 o   83.417   3.6456  1062.98   92.820  1089.66  153.929  1047.73  116.355   84.171   6.0316   82.662   4.6303 1.508591 7.603920 
1 1 1    6   17   29 o  117.125   3.4784  2095.50  124.349  2206.46  199.476  2024.97  159.031  120.106   5.4414  115.101   4.5268 5.005836 7.078134 
1 1 1    6   17   30 o  208.023   5.9309  6621.99  376.574   0.0000   0.0000  6621.99  376.574  ?   ?   208.023   5.9309 0.000000 5.930922 
1 1 1    6   17   31 o   96.750   4.1021  1430.41  121.137  1296.95  404.704  1443.54  126.957   90.196   15.244   97.187   4.2799 -6.991570 15.83322 
1 1 1    6   17   32 o  376.492   7.4707 21727.52  858.485 22032.32  1215.71 21424.34  1212.46  378.306   10.529  373.012   10.649 5.293488 14.97536 
1 1 1    6   17   33 o  223.630   7.0414  7662.27  480.625  7662.27  480.625   0.0000   0.0000  223.630   7.0414  ?   ?  0.000000 7.041387 
1 1 1    6   17   34 o  119.354   3.7352  2176.43  136.072  2010.04  198.180  2324.83  187.161  114.617   5.6649  123.302   4.9731 -8.685257 7.538100 
1 1 1    6   17   35 o  182.732   3.5508  5101.11  198.044  5437.00  246.444  4488.73  332.756  188.608   4.2810  171.218   6.3674 17.39053 7.672675 
1 1 1    6   17   36 o   87.701   3.5722  1175.07   95.622  1312.23  181.035  1122.00  112.612   92.342   6.4639   85.567   4.3258 6.774490 7.777834 
1 1 1    6   17   37 o  345.017   6.6491 18236.41  700.194   0.0000   0.0000 18236.41  700.194  ?   ?   345.017   6.6491 0.000000 6.649060 
1 1 1    6   17   38 o  238.403   3.6192  8684.16  263.352  9123.74  378.628  8272.20  366.538  244.222   5.0794  232.537   5.1643 11.68513 7.243615 
1 1 1    6   17   39 o   84.102   3.2966  1080.55   84.622  1218.74  118.407  936.289  120.982   89.284   4.3450   78.064   5.1056 11.21923 6.704216 
1 1 1    6   17   40 o  255.912   6.1433 10032.62  479.852 10058.82  557.047  9957.22  944.789  256.079   7.1269  253.538   12.209 2.540298 14.13679 
1 1 1    6   17   41 o  126.504   3.4399  2445.38  132.822  2266.48  189.530  2618.04  186.192  121.697   5.1025  130.825   4.6629 -9.128349 6.912142 
1 1 1    6   17   42 o   59.963   4.2951  552.692   78.089  468.416  104.477  659.365  117.543   54.914   6.3504   65.330   5.9604 -10.41629 8.709416 
1 1 1    6   17   43 f   67.574   4.4964  701.659   92.209  720.491  254.908  698.824   98.907   66.948   12.943   67.400   4.8401 -0.4522324 13.81833 
1 1 1    6   17   44 o   78.085   3.1822  931.758   75.842  971.923  103.933  886.010  110.921   79.591   4.2942   75.927   4.8112 3.663872 6.448834 
1 1 1    6   17   45 o  163.710   3.1606  4096.04  157.930  4037.80  266.327  4127.62  196.136  162.321   5.3756  164.277   3.9117 -1.956268 6.648162 
1 1 1    6   17   46 o   86.784   2.9564  1150.99   78.310  1120.10  135.924  1166.34   95.809   85.326   5.2445   87.332   3.5943 -2.006218 6.358008 
1 1 1    6   17   47 o  200.822   7.4249  6214.62  455.112  6051.69  882.752  6273.60  531.144  194.817   14.960  201.429   8.6392 -6.612076 17.27505 
1 1 1    6   17   48 o  153.692   7.8468  3657.91  366.868  3626.75  597.016  3676.81  465.029  151.118   13.072  153.407   9.9860 -2.288330 16.45002 
1 1 1    6   17   49 o  112.422   4.6812  1938.26  160.629  2428.63  436.119  1861.30  172.775  123.780   11.682  110.113   5.1407 13.66769 12.76272 
1 1 1    6   17   50 o   20.045   7.1502   53.272   55.218  260.123  146.385   18.957   59.622   40.103   11.413   17.509   7.1188 22.59354 13.45121 
1 1 1    6   17   51 o   40.145   6.4436  254.821   76.284   0.0000   0.0000  254.821   76.284  ?   ?    40.145   6.4436 0.000000 6.443562 
1 1 1    6   17   52 o  135.793   4.9543  2835.31  205.340  3499.26  544.466  2725.22  221.713  147.661   12.190  133.024   5.4607 14.63715 13.35680 
1 1 1    6   17   53 o   52.415   10.618  449.298  164.042  331.728  222.669  588.847  242.590   45.158   14.361   59.207   13.696 -14.04895 19.84473 
1 1 1    6   18    0 o  165.942   13.722  4303.21  684.083  4303.21  684.083  4303.21  684.083  165.942   13.722  165.942   13.722 -0.000000 0.000000 
1 1 1    6   18    1 o  248.484   7.4697  9445.64  566.526  8674.77  621.615 13225.56  1376.49  238.039   8.5557  292.474   15.475 -54.43475 17.68225 
1 1 1    6   18    2 o  310.421   20.062 15022.32  1890.61   0.0000   0.0000 15022.32  1890.61  ?   ?   310.421   20.062 0.000000 20.06150 
1 1 1    6   18    3 o  446.503   27.856 31573.69  3777.40   0.0000   0.0000 31573.69  3777.40  ?   ?   446.503   27.856 0.000000 27.85628 
1 1 1    6   18    4 o  343.918   21.857 18504.29  2282.42   0.0000   0.0000 18504.29  2282.42  ?   ?   343.918   21.857 0.000000 21.85661 
1 1 1    6   18    5 o  300.593   19.478 14082.10  1777.47   0.0000   0.0000 14082.10  1777.47  ?   ?   300.593   19.478 0.000000 19.47824 
1 1 1    6   18    6 o  480.358   11.613 35433.71  1702.70 34202.33  2029.76 38358.13  3128.02  471.242   14.112  496.477   20.642 -25.23450 25.00480 
1 1 1    6   18    7 o  396.096   9.4436 24044.29  1141.71 21548.03  1358.89 30035.96  2105.30  374.514   11.888  441.100   15.637 -66.58643 19.64282 
1 1 1    6   18    8 o  399.419   9.3110 24449.05  1135.13 23872.00  1351.44 25831.37  2091.68  394.303   11.229  408.645   16.770 -14.34174 20.18238 
1 1 1    6   18    9 o  502.479   12.291 38820.65  1885.08 35621.48  2247.57 46409.41  3461.63  480.339   15.330  545.643   20.785 -65.30435 25.82716 
1 1 1    6   18   10 o  384.293   9.3814 22638.64  1100.39 19781.28  1309.75 29495.30  2028.92  358.723   11.962  437.063   15.209 -78.33972 19.34971 
1 1 1    6   18   11 o  298.390   7.2622 13625.40  661.409 13449.52  784.617 14057.25  1229.48  296.285   8.6762  302.102   13.334 -5.816803 15.90803 
1 1 1    6   18   12 o  234.841   6.2218  8433.98  445.971  8003.85  526.665  9523.96  838.385  228.663   7.5461  249.005   11.031 -20.34163 13.36520 
1 1 1    6   18   13 o  261.964   7.0220 10501.23  561.460 10658.80  615.073  9713.78  1375.02  263.857   7.6373  249.417   18.187 14.44041 19.72581 
1 1 1    6   18   14 o  315.330   7.9814 15228.73  768.178 15462.24  845.081 14118.08  1843.05  317.630   8.7169  300.099   20.240 17.53104 22.03683 
1 1 1    6   18   15 o  418.108   11.664 26886.66  1488.56 26886.66  1488.56   0.0000   0.0000  418.108   11.664  ?   ?  0.000000 11.66438 
1 1 1    6   18   16 o  354.684   10.060 19312.81  1089.04 19312.81  1089.04   0.0000   0.0000  354.684   10.060  ?   ?  0.000000 10.05973 
1 1 1    6   18   17 o  206.845   6.5586  6546.41  414.068  6546.41  414.068   0.0000   0.0000  206.845   6.5586  ?   ?  0.000000 6.558566 
1 1 1    6   18   18 o  156.639   5.0012  3750.22  239.104  3520.27  607.391  3792.39  260.106  150.475   13.364  157.496   5.4108 -7.021088 14.41764 
1 1 1    6   18   19 o  220.801   10.825  7495.75  729.517  7463.27  1038.00  7527.44  1025.50  218.915   15.638  219.931   15.373 -1.016373 21.92902 
1 1 1    6   18   20 o  234.296   16.255  8560.75  1155.23   0.0000   0.0000  8560.75  1155.23  ?   ?   234.296   16.255 0.000000 16.25475 
1 1 1    6   18   21 o   98.433   10.011  1503.66  296.575  1620.06  576.270  1461.73  345.900  100.139   19.556   96.687   11.977 3.451744 22.93209 
1 1 1    6   18   22 o  207.368   4.7443  6572.72  300.284  6490.97  433.259  6648.29  416.563  205.897   6.8942  208.411   6.5485 -2.513596 9.508554 
1 1 1    6   18   23 o  240.011   6.2576  8815.66  458.413  8838.64  497.769  8687.34  1176.27  240.265   6.7877  235.795   16.447 4.469711 17.79243 
1 1 1    6   18   24 o  202.619   4.5451  6274.83  281.087  6196.68  295.629  7011.07  907.405  201.335   4.8107  212.363   14.079 -11.02724 14.87834 
1 1 1    6   18   25 o  359.640   6.3283 19797.93  694.656 20158.18  730.688 16413.17  2239.73  362.850   6.5976  320.934   23.017 41.91632 23.94429 
1 1 1    6   18   26 o  383.927   8.1345 22608.55  953.225 23195.37  1108.21 20939.65  1868.90  388.566   9.3442  366.535   16.705 22.03131 19.14102 
1 1 1    6   18   27 o   55.827   3.2849  477.679   55.726  846.603  273.983  461.759   56.916   72.997   12.762   54.876   3.4150 18.12086 13.21079 
1 1 1    6   18   28 o  197.365   4.2167  5952.98  254.016  6638.81  350.035  5190.01  369.195  208.322   5.5050  184.100   6.5703 24.22142 8.571710 
1 1 1    6   18   29 o  182.265   6.0327  5084.50  335.606   0.0000   0.0000  5084.50  335.606  ?   ?   182.265   6.0327 0.000000 6.032676 
1 1 1    6   18   32 o  191.336   4.3688  5595.69  255.136  5928.47  363.874  5273.85  357.836  196.802   6.0576  185.595   6.3169 11.20732 8.752017 
1 1 1    6   18   33 o  217.099   5.1188  7208.48  339.192  8047.78  761.056  7000.45  378.905  228.514   10.912  213.877   5.8043 14.63676 12.35930 
1 1 1    6   18   34 o  221.786   5.7163  7527.65  386.961  9299.89  1217.12  7328.37  408.138  243.544   16.470  218.787   6.1118 24.75668 17.56770 
1 1 1    6   18   35 o  189.669   5.4775  5504.58  317.097   0.0000   0.0000  5504.58  317.097  ?   ?   189.669   5.4775 0.000000 5.477452 
1 1 1    6   18   36 o  261.234   10.124 10512.11  807.201 11781.94  1541.90 10032.71  947.397  272.993   18.616  254.677   12.188 18.31548 22.25080 
1 1 1    6   18   37 o   79.264   3.5854  959.997   86.743  1084.09  139.484  881.739  110.767   83.986   5.4711   75.775   4.8142 8.211021 7.287670 
1 1 1    6   18   38 o   81.550   4.3058  1019.63  106.795  1130.04  304.462  1004.14  114.041   84.605   12.138   80.896   4.6380 3.709099 12.99381 
1 1 1    6   18   39 o  199.293   4.8462  6076.51  294.787  6142.44  334.821  5849.23  621.684  200.302   5.4766  194.361   10.519 5.941238 11.85901 
1 1 1    6   18   40 o  245.303   4.4849  9204.04  335.794  9244.15  480.213  9165.65  469.731  245.548   6.4074  244.523   6.2938 1.024979 8.981453 
1 1 1    6   18   41 o   60.065   3.8762  553.872   70.684  661.545  121.541  498.842   86.890   65.404   6.1610   56.862   5.0593 8.541893 7.972110 
1 1 1    6   18   42 o   42.420   4.1234  277.809   52.713  225.258   93.642  302.186   63.778   37.520   8.3877   44.173   4.8080 -6.653194 9.667971 
1 1 1    6   18   43 o  132.464   2.8474  2680.89  115.124  2594.74  170.284  2753.42  156.240  130.225   4.2842  134.183   3.8148 -3.958725 5.736458 
1 1 1    6   18   44 o  266.870   5.2032 10914.10  423.828 10815.08  465.529 11393.66  1024.53  265.536   5.7439  270.050   12.430 -4.514191 13.69276 
1 1 1    6   18   45 o  126.439   3.5540  2444.99  137.155  2676.16  219.889  2297.78  175.474  132.091   5.4540  122.476   4.6940 9.614342 7.195809 
1 1 1    6   18   46 f  131.581   3.0303  2646.81  121.700  3536.32  515.463  2594.30  125.241  150.026   11.341  130.260   3.1501 19.76538 11.76991 
1 1 1    6   18   47 o  112.568   3.3353  1938.37  114.596  1963.29  420.461  1936.37  119.105  110.927   12.644  112.500   3.4687 -1.572464 13.11164 
1 1 1    6   18   48 o   28.846   6.9083  133.516   60.022   1.6486  169.858  152.331   64.161   27.056   11.573   30.816   6.9830 -3.760406 13.51610 
1 1 1    6   18   49 o   80.769   6.0242  1010.53  147.445  1112.69  193.465  868.974  227.740   84.423   7.5891   73.752   10.406 10.67142 12.87953 
1 1 1    6   18   50 o   84.741   4.6065  1105.90  118.698  1252.02  327.079  1083.73  127.382   87.817   12.561   83.817   5.0020 3.999878 13.51985 
1 1 1    6   18   51 o  117.345   4.8220  2117.05  172.705  3063.99  409.155  1911.75  190.509  139.315   9.6823  111.223   5.6301 28.09200 11.20023 
1 1 1    6   19    3 o  171.930   8.0364  4527.08  421.724  8637.04  621.508  1019.92  574.123  237.421   8.5765   79.585   22.586 157.8358 24.15977 
1 1 1    6   19    4 o  214.243   11.381  7074.22  741.525  4422.41  1056.85  9645.52  1040.69  166.941   21.221  249.752   13.704 -82.81099 25.26123 
1 1 1    6   19    5 o  316.752   8.5209 15373.41  823.798 15155.05  906.093 16414.30  1978.32  314.351   9.4437  323.765   20.119 -9.413483 22.22507 
1 1 1    6   19    6 o  268.767   6.6180 11051.02  542.901 11669.18  596.157  8047.51  1314.09  276.134   7.0733  226.555   19.184 49.57919 20.44625 
1 1 1    6   19    7 o  141.415   4.3756  3055.24  188.864  2989.66  216.327  3265.45  387.310  139.863   5.0675  145.704   8.7496 -5.840698 10.11112 
1 1 1    6   19    8 o  113.820   4.2946  1979.17  149.197  2025.13  167.204  1799.59  330.500  115.120   4.7586  107.803   10.164 7.317680 11.22316 
1 1 1    6   19    9 o  180.561   5.5994  4984.56  308.590  4931.15  337.505  5256.82  762.003  179.557   6.1583  184.111   13.657 -4.554062 14.98155 
1 1 1    6   19   10 o   43.838   6.9276  301.265   89.613  186.377   96.039  1074.65  249.177   34.256   9.0500   83.077   10.030 -48.82151 13.50916 
1 1 1    6   19   11 o  309.435   8.2471 14672.10  778.914 14488.81  854.462 15573.29  1894.64  307.359   9.1081  315.188   19.795 -7.828766 21.78977 
1 1 1    6   19   12 o  254.916   7.1061  9947.58  552.901  9770.40  604.566 10853.33  1366.91  252.551   7.8429  263.823   17.066 -11.27165 18.78231 
1 1 1    6   19   13 o  195.898   5.9215  5869.40  354.062  5799.87  385.251  6247.41  898.276  194.692   6.4830  200.447   14.787 -5.754318 16.14547 
1 1 1    6   19   14 o  215.535   6.7945  7110.40  446.988  7110.40  446.988   0.0000   0.0000  215.535   6.7945  ?   ?  0.000000 6.794547 
1 1 1    6   19   15 o  110.335   4.4214  1860.21  148.899  1952.27  159.400  1229.81  417.137  113.025   4.6206   87.702   16.179 25.32313 16.82594 
1 1 1    6   19   16 o  207.448   5.6475  6581.47  357.591  6502.56  423.931  6776.08  665.767  206.109   6.7388  209.966   10.389 -3.857391 12.38278 
1 1 1    6   19   17 o  180.910   13.922  5088.87  762.817  5088.87  762.817   0.0000   0.0000  180.910   13.922  ?   ?  0.000000 13.92158 
1 1 1    6   19   18 o  201.949   14.727  6349.35  901.485   0.0000   0.0000  6349.35  901.485  ?   ?   201.949   14.727 0.000000 14.72663 
1 1 1    6   19   19 o  308.877   13.859 14758.01  1306.55   0.0000   0.0000 14758.01  1306.55  ?   ?   308.877   13.859 0.000000 13.85870 
1 1 1    6   19   20 o   59.166   9.7148  551.715  169.347   0.0000   0.0000  551.715  169.347  ?   ?    59.166   9.7148 0.000000 9.714814 
1 1 1    6   19   21 o  210.080   5.2483  6749.07  336.530  6789.02  390.729  6634.30  662.308  210.628   6.0778  207.393   10.497 3.234299 12.12953 
1 1 1    6   19   22 o  169.176   5.1858  4376.73  267.778  4412.83  292.031  4186.06  671.128  169.841   5.6334  163.951   13.532 5.890900 14.65810 
1 1 1    6   19   23 o  163.071   3.8698  4062.96  192.611  3756.59  282.290  4329.83  263.467  156.682   5.9028  168.268   5.1299 -11.58556 7.820427 
1 1 1    6   19   24 o  233.273   4.7712  8319.40  339.710  8385.62  357.329  7697.10  1095.35  234.180   4.9992  221.721   16.300 12.45905 17.04940 
1 1 1    6   19   25 o  277.102   5.5000 11746.54  465.179 11753.96  489.268 11676.73  1501.02  277.155   5.7837  272.509   18.150 4.646088 19.04945 
1 1 1    6   19   26 o  192.865   5.1073  5688.56  300.648  5839.84  327.888  4889.92  753.381  195.380   5.4983  177.073   14.055 18.30733 15.09219 
1 1 1    6   19   27 f  140.051   3.6555  2996.60  156.260  3298.94  225.056  2715.18  217.128  146.876   5.0202  133.231   5.3394 13.64499 7.328847 
1 1 1    6   19   28 o  336.787   7.8672 17397.21  808.714 17751.45  962.242 16545.09  1492.39  339.867   9.2760  326.294   14.985 13.57217 17.62360 
1 1 1    6   19   29 o  184.723   5.0743  5218.50  286.100  5362.89  335.934  4837.23  545.891  187.194   5.8796  177.005   10.147 10.18814 11.72695 
1 1 1    6   19   30 o  192.175   10.326  5701.96  603.438   0.0000   0.0000  5701.96  603.438  ?   ?   192.175   10.326 0.000000 10.32554 
1 1 1    6   19   31 o  123.120   8.1587  2336.41  304.858  2720.58  700.798  2246.74  338.572  130.600   18.064  120.549   9.2729 10.05156 20.30521 
1 1 1    6   19   32 o  106.860   4.5274  1745.77  147.667   0.0000   0.0000  1745.77  147.667  ?   ?   106.860   4.5274 0.000000 4.527411 
1 1 1    6   19   33 o  163.216   3.7378  4070.55  186.205   0.0000   0.0000  4070.55  186.205  ?   ?   163.216   3.7378 0.000000 3.737768 
1 1 1    6   19   34 o  160.042   5.1021  3918.34  249.232  6047.15  927.703  3752.74  258.744  196.275   15.615  156.600   5.4133 39.67477 16.52641 
1 1 1    6   19   35 o  246.230   8.4767  9317.05  637.067  9695.54  933.759  8987.44  871.370  250.251   12.225  241.045   11.844 9.206268 17.02115 
1 1 1    6   19   36 o  150.733   3.6741  3472.13  169.034  3171.94  242.719  3754.84  235.543  143.945   5.5245  156.664   4.9259 -12.71825 7.401633 
1 1 1    6   19   37 o   85.064   3.4733  1105.71   90.178  1299.31  144.792  983.028  115.263   91.994   5.1777   80.023   4.7402 11.97133 7.019858 
1 1 1    6   19   38 o  163.955   4.5721  4112.09  228.799  4549.34  602.144  4038.30  247.352  170.979   11.607  162.441   4.9889 8.538834 12.63372 
1 1 1    6   19   39 o  117.268   4.4472  2103.67  159.176  2150.31  196.570  2014.85  271.285  118.491   5.4352  114.218   7.8289 4.272629 9.530655 
1 1 1    6   19   40 o   76.679   3.4781  898.719   81.403  1033.02  491.770  894.935   82.542   78.738   20.324   76.516   3.5343 2.221718 20.62929 
1 1 1    6   19   41 o   92.057   3.9919  1296.17  112.163  1293.88  121.002  1310.14  298.958   91.958   4.3111   91.275   10.950 0.6831512 11.76767 
1 1 1    6   19   42 o   41.227   7.1208  268.683   86.364  264.374   93.231  294.743  229.277   40.773   7.7754   44.148   14.613 -3.375603 16.55314 
1 1 1    6   19   43 o   37.216   6.0565  218.047   66.431  205.795   94.294  230.121   93.606   35.794   8.7129   37.892   8.3213 -2.098083 12.04824 
1 1 1    6   19   44 o  111.785   2.8292  1909.80   96.530  2239.01  187.820  1791.62  112.529  120.840   5.0923  108.236   3.4063 12.60417 6.126517 
1 1 1    6   19   45 o  157.581   3.8234  3800.88  183.895   0.0000   0.0000  3800.88  183.895  ?   ?   157.581   3.8234 0.000000 3.823373 
1 1 1    6   19   46 f   92.954   3.4022  1322.10   96.526   0.0000   0.0000  1322.10   96.526  ?   ?    92.954   3.4022 0.000000 3.402177 
1 1 1    6   19   47 o  123.186   3.6509  2323.65  137.271  2847.44  249.671  2096.71  164.339  135.973   6.0159  116.899   4.6059 19.07360 7.576586 
1 1 1    6   19   48 o  147.175   4.7359  3326.44  212.740  3563.78  255.312  2787.35  384.783  152.170   5.4970  133.145   9.5314 19.02521 11.00292 
1 1 1    6   19   49 o   42.592   15.340  262.726  254.733   0.0000   0.0000  262.726  254.733  ?   ?    42.592   15.340 0.000000 15.33999 
1 1 1    6   19   50 o  136.523   5.9995  2878.79  249.998  2916.26  270.577  2660.18  653.551  137.278   6.4576  124.831   17.645 12.44727 18.78927 
1 1 1    6   20    0 o  255.157   17.390 10155.32  1339.85 10155.32  1339.85 10155.32  1339.85  255.157   17.390  255.157   17.390 0.000000 0.000000 
1 1 1    6   20    1 o  277.614   12.432 11874.85  1053.37 15207.60  1493.72  8577.82  1485.70  313.302   15.620  232.991   21.121 80.31079 26.26988 
1 1 1    6   20    2 o  163.975   9.3927  4139.27  468.137  4669.10  668.386  3629.07  655.881  173.591   12.703  152.605   14.246 20.98587 19.08706 
1 1 1    6   20    3 o  210.132   6.6506  6757.28  426.551  6757.28  426.551   0.0000   0.0000  210.132   6.6506  ?   ?  0.000000 6.650617 
1 1 1    6   20    4 o  187.775   6.1916  5394.00  354.862  5394.00  354.862   0.0000   0.0000  187.775   6.1916  ?   ?  0.000000 6.191613 
1 1 1    6   20    5 o  183.030   14.473  5211.31  801.921  5211.31  801.921   0.0000   0.0000  183.030   14.473  ?   ?  0.000000 14.47266 
1 1 1    6   20    6 o  320.397   20.857 16163.64  2028.59 16163.64  2028.59   0.0000   0.0000  320.397   20.857  ?   ?  0.000000 20.85747 
1 1 1    6   20    7 o  547.110   35.078 49458.34  5826.81 49458.34  5826.81   0.0000   0.0000  547.110   35.078  ?   ?  0.000000 35.07789 
1 1 1    6   20    8 o  382.686   24.454 23303.66  2841.40 23303.66  2841.40   0.0000   0.0000  382.686   24.454  ?   ?  0.000000 24.45388 
1 1 1    6   20    9 o  492.578   16.792 37717.95  2524.64 37792.01  4370.68 37680.86  3092.78  482.916   29.798  490.029   20.678 -7.112946 36.26987 
1 1 1    6   20   10 o  165.800   9.7432  4236.18  490.898  3484.78  707.815  4932.55  681.406  149.078   15.796  178.406   12.594 -29.32727 20.20256 
1 1 1    6   20   11 o  305.911   8.8730 14357.92  828.480 14357.92  828.480   0.0000   0.0000  305.911   8.8730  ?   ?  0.000000 8.872988 
1 1 1    6   20   12 o  299.409   8.3224 13746.29  760.554 12971.99  833.945 17573.64  1854.10  290.664   9.4000  335.079   18.197 -44.41492 20.48148 
1 1 1    6   20   13 o  290.586   7.0499 12931.36  625.277 13424.11  739.105 11690.89  1172.70  295.892   8.1838  274.543   14.042 21.34842 16.25236 
1 1 1    6   20   14 o  316.428   7.5771 15342.92  731.799 15607.39  867.964 14692.74  1360.92  318.893   8.9174  307.993   14.477 10.90036 17.00299 
1 1 1    6   20   15 o  190.556   5.7207  5554.69  332.728  5626.40  361.068  5150.97  856.756  191.745   6.1695  181.484   15.619 10.26074 16.79334 
1 1 1    6   20   16 o   62.464   17.368  626.854  343.111   0.0000   0.0000  626.854  343.111  ?   ?    62.464   17.368 0.000000 17.36761 
1 1 1    6   20   17 o  418.627   18.132 27406.14  2316.76   0.0000   0.0000 27406.14  2316.76  ?   ?   418.627   18.132 0.000000 18.13162 
1 1 1    6   20   18 o  100.761   8.3263  1568.11  253.778   0.0000   0.0000  1568.11  253.778  ?   ?   100.761   8.3263 0.000000 8.326309 
1 1 1    6   20   19 o  105.144   3.9786  1689.23  127.684  1757.81  147.624  1485.55  254.402  107.238   4.5101   98.012   8.5907 9.226280 9.702690 
1 1 1    6   20   20 o  258.188   6.7387 10209.72  531.042  9812.35  631.294 11171.38  982.086  252.901   8.1783  269.043   11.959 -16.14291 14.48836 
1 1 1    6   20   21 o  116.838   4.1592  2086.20  148.325  2128.21  172.883  1969.04  288.716  117.982   4.8009  112.958   8.4349 5.023254 9.705458 
1 1 1    6   20   22 o  318.578   5.7331 15530.00  557.476 16961.37  795.324 14147.47  781.635  332.554   7.8355  303.600   8.4350 28.95465 11.51277 
1 1 1    6   20   23 o  147.686   7.2367  3342.81  326.207  3454.42  584.267  3292.26  393.197  148.889   12.987  146.148   8.8564 2.741150 15.71918 
1 1 1    6   20   24 o  146.974   3.4721  3299.89  155.758  3899.83  233.592  2819.60  209.004  159.706   4.7920  135.783   5.0430 23.92226 6.956698 
1 1 1    6   20   25 o  104.861   3.2262  1679.54  103.257  1713.13  155.836  1653.25  137.865  105.849   4.8235  104.001   4.3431 1.847740 6.490685 
1 1 1    6   20   26 o  179.198   14.505  5016.94  786.546  5016.94  786.546   0.0000   0.0000  179.198   14.505  ?   ?  0.000000 14.50491 
1 1 1    6   20   27 o  217.574   6.3307  7248.60  420.411  7213.95  458.473  7431.69  1053.84  216.982   6.9227  217.816   15.963 -0.8337555 17.39907 
1 1 1    6   20   28 o  135.238   3.7968  2794.58  156.725  2818.64  220.809  2770.17  222.487  135.738   5.3296  134.561   5.4171 1.177490 7.599348 
1 1 1    6   20   29 o  189.498   4.0536  5488.01  234.459  6329.03  643.252  5359.16  251.779  202.427   10.447  187.236   4.4057 15.19083 11.33772 
1 1 1    6   20   30 o  323.409   6.7490 16026.84  666.208 16240.11  822.361 15619.61  1136.35  325.221   8.2845  317.987   11.708 7.234497 14.34270 
1 1 1    6   20   31 o  295.991   7.8052 13445.16  705.151   0.0000   0.0000 13445.16  705.151  ?   ?   295.991   7.8052 0.000000 7.805248 
1 1 1    6   20   32 o  230.824   12.249  8269.19  859.894  9175.08  1319.54  7600.53  1133.66  240.864   18.081  219.545   17.052 21.31932 24.85284 
1 1 1    6   20   33 o  198.209   6.1702  6018.21  373.283  6850.86  1133.59  5916.94  395.331  207.841   18.049  196.482   6.5921 11.35912 19.21471 
1 1 1    6   20   34 o  164.992   12.257  4241.17  612.825  4084.67  971.290  4344.67  789.893  159.045   20.485  165.905   15.789 -6.860199 25.86344 
1 1 1    6   20   35 o  132.616   7.0771  2706.17  285.426  3331.22  839.497  2624.47  303.506  143.587   19.672  130.501   7.6531 13.08598 21.10865 
1 1 1    6   20   36 o  233.624   3.5479  8341.66  252.990  8658.08  508.110  8237.36  291.721  237.516   7.0089  232.101   4.1179 5.414673 8.129045 
1 1 1    6   20   37 o  305.111   5.6190 14261.87  523.281 14546.02  813.964 14061.71  683.165  307.318   8.6776  302.536   7.3983 4.782227 11.40331 
1 1 1    6   20   38 o   27.713   5.5004  121.790   44.884   31.583   85.608  155.986   52.709   21.298   8.5756   31.423   5.7058 -10.12526 10.30036 
1 1 1    6   20   39 o   74.282   3.3594  843.412   76.166  911.919  112.106  784.676  103.804   77.030   4.7919   71.432   4.7888 5.598045 6.774602 
1 1 1    6   20   40 o  231.731   4.0320  8215.28  285.181  9091.00  482.860  7746.19  353.403  243.292   6.5024  224.844   5.1496 18.44817 8.294564 
1 1 1    6   20   41 o   74.238   3.1590  842.477   71.581  1054.72  110.920  690.997   93.706   82.886   4.4002   67.015   4.6092 15.87075 6.372319 
1 1 1    6   20   42 o   72.030   3.4823  793.522   76.559  941.374  125.517  705.926   96.612   78.165   5.2922   67.716   4.7036 10.44977 7.080345 
1 1 1    6   20   43 o  261.805   5.0634 10513.81  404.615   0.0000   0.0000 10513.81  404.615  ?   ?   261.805   5.0634 0.000000 5.063449 
1 1 1    6   20   44 o   21.033   6.7351   66.620   48.914   0.0000   0.0000   66.620   48.914  ?   ?    21.033   6.7351 0.000000 6.735064 
1 1 1    6   20   45 o   79.635   11.893  1021.06  280.217  1440.66  783.374  959.489  300.071   88.217   26.760   76.666   13.306 11.55085 29.88577 
1 1 1    6   20   46 o   92.124   3.5638  1299.69  100.207  1443.77  185.385  1240.21  119.106   96.537   6.3266   89.916   4.3399 6.620865 7.672105 
1 1 1    6   20   48 o   66.211   5.3514  679.585  107.222  554.687  194.504  734.109  128.512   58.171   11.362   68.656   6.1995 -10.48477 12.94355 
1 1 1    6   21    0 o   82.921   15.604  1160.66  354.065  1160.66  354.065  1160.66  354.065   82.921   15.604   82.921   15.604 -0.000000 0.000000 
1 1 1    6   21    1 o  215.201   4.9253  7079.77  323.515  3156.11  791.502  7866.74  354.477  140.889   18.881  226.831   5.1200 -85.94154 19.56273 
1 1 1    6   21    2 o  281.671   13.016 12253.20  1119.05 11942.32  1586.07 12561.36  1579.11  275.645   18.967  282.976   18.383 -7.330811 26.41358 
1 1 1    6   21    3 o  181.249   9.0211  5042.42  499.059  7086.86  725.822  3209.21  687.304  214.269   11.137  142.867   16.039 71.40230 19.52593 
1 1 1    6   21    4 f  185.093   9.8777  5279.41  556.018  5495.53  802.451  5079.83  771.139  187.930   14.092  180.643   14.098 7.287125 19.93324 
1 1 1    6   21    5 o  189.313   9.8150  5521.75  565.191  6201.07  817.680  4900.24  782.108  199.840   13.484  177.271   14.584 22.56911 19.86269 
1 1 1    6   21    6 o  201.247   15.218  6317.99  927.833  6317.99  927.833   0.0000   0.0000  201.247   15.218  ?   ?  0.000000 15.21756 
1 1 1    6   21    7 o  203.177   15.194  6439.66  935.432  6439.66  935.432   0.0000   0.0000  203.177   15.194  ?   ?  0.000000 15.19411 
1 1 1    6   21    8 o  273.316   18.377 11731.68  1524.17 11731.68  1524.17   0.0000   0.0000  273.316   18.377  ?   ?  0.000000 18.37731 
1 1 1    6   21    9 o  430.643   27.583 30000.95  3606.45 30000.95  3606.45   0.0000   0.0000  430.643   27.583  ?   ?  0.000000 27.58254 
1 1 1    6   21   10 o  339.908   13.155 17861.41  1364.85 11598.56  1903.27 24491.44  1958.27  269.319   23.386  396.726   16.172 -127.4070 28.43283 
1 1 1    6   21   11 o  418.460   17.802 27367.14  2273.71 24151.27  3204.71 30626.73  3226.42  386.169   27.366  437.727   24.244 -51.55829 36.56048 
1 1 1    6   21   12 o  129.845   10.409  2610.64  409.066  2795.21  533.956  2348.41  636.464  133.809   13.248  121.421   17.694 12.38757 22.10378 
1 1 1    6   21   13 o  156.323   10.594  3778.70  502.496   0.0000   0.0000  3778.70  502.496  ?   ?   156.323   10.594 0.000000 10.59409 
1 1 1    6   21   14 o   44.943   18.344  127.293  397.834   0.0000   0.0000  127.293  397.834  ?   ?    44.943   18.344 0.000000 18.34357 
1 1 1    6   21   15 o  181.454   10.661  5087.32  587.870   0.0000   0.0000  5087.32  587.870  ?   ?   181.454   10.661 0.000000 10.66129 
1 1 1    6   21   16 o  361.544   8.7525 20071.41  965.854 19603.40  1149.18 21197.40  1782.49  356.809   10.552  368.991   15.827 -12.18210 19.02194 
1 1 1    6   21   17 o  234.612   9.4824  8461.54  679.025  8040.10  1177.04  8671.76  831.303  226.230   17.174  237.107   11.487 -10.87756 20.66153 
1 1 1    6   21   18 f  268.211   10.165 11071.43  832.127 11301.23  1434.29 10954.83  1021.65  268.199   17.619  266.203   12.574 1.996582 21.64573 
1 1 1    6   21   19 o   65.484   4.2096  658.086   83.692  692.613   90.054  439.297  226.692   67.169   4.4172   52.321   13.943 14.84809 14.62601 
1 1 1    6   21   20 o   55.993   4.1271  481.742   70.036  531.687   77.298  252.783  165.500   58.820   4.3361   40.369   12.312 18.45023 13.05332 
1 1 1    6   21   21 o  250.424   6.4807  9604.24  495.355  9426.77  588.637 10034.89  916.967  247.909   7.7793  254.951   11.784 -7.042206 14.11988 
1 1 1    6   21   22 o   26.297   10.399   58.179  123.636  109.700  246.760   40.910  142.862   36.730   14.639   26.919   10.990 9.811205 18.30509 
1 1 1    6   21   23 o  161.970   7.4277  4022.31  367.203  4668.85  654.157  3724.86  443.703  173.350   12.446  155.372   9.4005 17.97743 15.59748 
1 1 1    6   21   24 o   98.222   4.5783  1474.95  137.257  1457.55  148.145  1580.46  364.775   97.497   4.9950  100.434   12.146 -2.936699 13.13328 
1 1 1    6   21   25 o  363.695   9.0451 20328.92  1004.08 20674.20  1104.53 18685.43  2409.78  366.525   9.8732  341.352   23.268 25.17249 25.27585 
1 1 1    6   21   26 o  106.060   9.1576  1741.91  293.544  1775.63  441.801  1715.26  392.777  106.090   13.985  104.576   12.556 1.514412 18.79452 
1 1 1    6   21   27 f  165.518   4.9363  4190.12  249.380  4287.49  271.677  3668.95  628.555  167.401   5.3172  153.217   13.581 14.18390 14.58515 
1 1 1    6   21   28 o  133.190   4.5502  2712.43  184.977  2710.26  212.353  2719.27  376.635  133.096   5.2273  132.627   9.3642 0.4688110 10.72440 
1 1 1    6   21   29 o  112.892   8.7613  1970.70  299.525  2686.28  935.459  1888.96  316.170  127.049   25.014  110.388   9.4757 16.66136 26.74832 
1 1 1    6   21   30 o  190.281   5.3854  5541.40  312.774  6993.64  1166.90  5428.98  324.654  209.872   18.402  188.314   5.6483 21.55766 19.24944 
1 1 1    6   21   31 o  170.615   3.1743  4447.03  165.306  5220.01  291.675  4081.26  200.641  184.691   5.1741  163.397   4.0231 21.29462 6.554127 
1 1 1    6   21   32 o   81.341   4.0953  1014.09  101.350  1182.20  364.917  1000.04  105.500   85.972   14.417   80.756   4.2956 5.215668 15.04338 
1 1 1    6   21   33 o   56.149   3.7784  484.087   64.377  514.679  102.188  463.956   82.895   57.664   5.8887   54.833   5.0083 2.830616 7.730398 
1 1 1    6   21   34 o  102.815   4.6694  1617.42  146.533   0.0000   0.0000  1617.42  146.533  ?   ?   102.815   4.6694 0.000000 4.669394 
1 1 1    6   21   35 o  123.745   9.8782  2380.02  369.989   0.0000   0.0000  2380.02  369.989  ?   ?   123.745   9.8782 0.000000 9.878222 
1 1 1    6   21   36 o   73.737   5.7066  838.312  127.434   0.0000   0.0000  838.312  127.434  ?   ?    73.737   5.7066 0.000000 5.706608 
1 1 1    6   21   37 o   95.431   3.8491  1392.78  112.116  1378.03  120.846  1483.94  300.432   94.906   4.1718   97.362   10.264 -2.455894 11.07974 
1 1 1    6   21   38 o  212.649   3.6895  6915.48  239.468  6932.64  306.366  6888.52  383.928  212.771   4.7175  211.882   5.9366 0.8890228 7.582742 
1 1 1    6   21   39 o   89.958   4.1533  1238.54  114.037  1240.79  116.957  1195.24  513.496   90.033   4.2561   84.109   20.246 5.924126 20.68855 
1 1 1    6   21   40 o   74.373   4.6823  850.833  105.748  848.973  416.826  850.961  109.325   71.037   18.895   74.358   4.8434 -3.321068 19.50624 
1 1 1    6   21   41 o   86.668   4.0603  1150.09  107.408   0.0000   0.0000  1150.09  107.408  ?   ?    86.668   4.0603 0.000000 4.060316 
1 1 1    6   21   42 o   88.188   3.1908  1189.55   85.887   0.0000   0.0000  1189.55   85.887  ?   ?    88.188   3.1908 0.000000 3.190833 
1 1 1    6   21   43 o  118.699   4.2967  2159.99  155.668  2586.74  840.006  2144.81  158.411  120.742   23.639  118.270   4.3883 2.472137 24.04317 
1 1 1    6   21   44 o  173.755   4.9626  4638.33  263.189  5231.13  998.151  4594.03  272.844  176.111   18.863  172.875   5.1709 3.236298 19.55854 
1 1 1    6   21   45 o  131.656   12.606  2791.74  500.354   0.0000   0.0000  2791.74  500.354  ?   ?   131.656   12.606 0.000000 12.60551 
1 1 1    6   21   46 o  154.381   5.8957  3678.25  277.808   0.0000   0.0000  3678.25  277.808  ?   ?   154.381   5.8957 0.000000 5.895702 
1 1 1    6   21   47 f  131.394   3.9427  2649.09  158.122  2544.29  232.995  2738.57  215.288  128.325   5.9486  133.305   5.2912 -4.980011 7.961358 
1 1 1    6   22    0 o  180.514   14.339  5100.44  778.553  5100.44  778.553  5100.44  778.553  180.514   14.339  180.514   14.339 -0.000000 0.000000 
1 1 1    6   22    1 o  271.835   12.666 11419.96  1050.94 11566.45  1487.31 11273.88  1485.19  271.272   18.066  267.711   18.285 3.561035 25.70497 
1 1 1    6   22    2 o  157.703   4.6976  3802.10  226.116  4061.22  245.993  2390.36  574.183  162.973   4.9453  123.039   15.643 39.93340 16.40605 
1 1 1    6   22    3 o  196.096   6.7629  5889.73  404.777  5174.09  443.612  9448.55  989.255  183.674   7.9129  246.791   13.181 -63.11710 15.37344 
1 1 1    6   22    4 o  322.571   8.3791 15968.20  824.976 16025.19  907.234 15696.01  1982.76  322.961   9.2035  314.741   20.756 8.220520 22.70502 
1 1 1    6   22    5 o  255.410   6.0101  9984.18  468.529 10794.55  514.161  6017.07  1137.61  265.529   6.3441  194.786   19.392 70.74287 20.40366 
1 1 1    6   22    6 o  137.009   4.3676  2869.14  182.646  3108.70  197.664  1469.92  477.709  142.606   4.5412   95.709   16.974 46.89632 17.57130 
1 1 1    6   22    7 o  165.399   5.3283  4184.51  268.992  4175.06  294.248  4232.60  663.624  165.174   5.8365  164.852   13.302 0.3225250 14.52636 
1 1 1    6   22    8 o  270.220   7.1250 11189.33  587.651 11347.57  645.528 10423.71  1419.94  272.017   7.7750  257.324   18.196 14.69272 19.78768 
1 1 1    6   22    9 o  412.009   9.6742 26103.74  1216.57 27037.76  1338.67 21672.74  2915.72  419.045   10.466  365.894   26.283 53.15070 28.29038 
1 1 1    6   22   10 o  166.205   13.891  4310.75  698.223   0.0000   0.0000  4310.75  698.223  ?   ?   166.205   13.891 0.000000 13.89100 
1 1 1    6   22   12 o  135.421   8.7133  2827.76  358.237   0.0000   0.0000  2827.76  358.237  ?   ?   135.421   8.7133 0.000000 8.713254 
1 1 1    6   22   13 o  156.959   8.5000  3793.29  405.696  3357.30  642.644  4082.18  523.110  146.343   14.582  162.453   10.608 -16.11064 18.03204 
1 1 1    6   22   14 o  123.087   8.9199  2339.50  332.838  2270.54  507.930  2391.39  440.620  120.193   14.114  123.917   11.792 -3.723892 18.39175 
1 1 1    6   22   15 o   96.557   4.2486  1425.00  125.211  1551.34  135.864  712.817  322.574  100.740   4.4186   66.328   16.097 34.41227 16.69221 
1 1 1    6   22   16 o  230.182   6.0360  8110.93  424.068  8002.61  499.732  8389.60  801.564  228.496   7.1654  233.214   11.261 -4.717987 13.34716 
1 1 1    6   22   17 o  207.263   5.6442  6573.64  357.059  6467.53  418.792  6856.08  683.266  205.473   6.6777  210.678   10.660 -5.205215 12.57909 
1 1 1    6   22   18 o  121.586   7.8947  2277.47  291.393  2536.22  504.360  2147.83  357.005  127.327   13.168  117.713   10.032 9.614677 16.55426 
1 1 1    6   22   19 o  440.186   15.539 30182.69  2087.73 31055.68  3614.23 29745.54  2557.57  436.729   27.250  434.616   19.280 2.112640 33.38047 
1 1 1    6   22   20 o   78.763   4.0057  950.494   95.981  1044.14  103.784  397.017  252.316   82.655   4.1138   50.279   15.173 32.37619 15.72057 
1 1 1    6   22   21 o   74.457   4.4934  850.622  101.638  828.271  110.571  972.433  258.128   73.425   4.9629   78.662   11.056 -5.237282 12.11911 
1 1 1    6   22   22 o  170.701   5.3187  4458.04  277.115  4482.13  302.875  4334.22  686.663  171.122   5.7988  166.637   13.620 4.485153 14.80285 
1 1 1    6   22   23 o   56.784   16.331  515.754  298.186  515.754  298.186   0.0000   0.0000   56.784   16.331  ?   ?  0.000000 16.33073 
1 1 1    6   22   24 o  169.053   5.2706  4372.61  271.956  4410.21  297.514  4181.59  670.661  169.738   5.7426  163.624   13.551 6.113708 14.71738 
1 1 1    6   22   25 o  115.847   4.6083  2052.21  162.946  2061.10  177.111  2003.20  415.813  116.077   4.9990  113.144   12.236 2.933144 13.21733 
1 1 1    6   22   26 o  169.657   8.5352  4434.58  440.572  4758.02  586.695  4016.35  667.156  175.209   11.027  160.203   13.778 15.00549 17.64734 
1 1 1    6   22   27 o  126.649   8.1585  2474.17  313.697  2598.90  941.475  2458.59  332.709  124.520   25.626  126.157   8.6935 -1.637894 27.06054 
1 1 1    6   22   28 o  113.865   13.798  2045.17  469.761  2772.17  935.643  1800.14  543.187  128.964   24.669  105.692   17.447 23.27142 30.21485 
1 1 1    6   22   29 o   23.263   7.2841   82.183   57.490  130.076   78.344   26.300   84.627   28.816   8.3950   20.873   8.4831 7.943079 11.93478 
1 1 1    6   22   30 o  133.181   7.5324  2732.69  304.938  2912.72  483.470  2613.75  392.960  136.625   11.707  129.770   9.9980 6.854462 15.39510 
1 1 1    6   22   31 o  213.110   5.0612  6951.88  329.211  7226.21  410.750  6459.10  550.508  217.111   6.1984  204.794   8.8070 12.31667 10.76959 
1 1 1    6   22   32 o  128.255   3.6098  2514.42  141.309  2468.72  194.323  2565.70  205.856  126.989   5.0135  129.443   5.2104 -2.454109 7.230699 
1 1 1    6   22   33 o  354.071   11.137 19443.22  1203.57 20719.71  1722.66 18225.90  1682.26  362.759   15.558  339.774   16.221 22.98462 22.47656 
1 1 1    6   22   34 o  320.936   6.4596 15810.21  632.767 16407.67  780.667 14665.89  1080.41  326.500   7.8337  307.174   11.524 19.32596 13.93405 
1 1 1    6   22   35 o   74.348   9.5063  868.186  210.784  774.881  345.762  923.370  265.909   68.542   16.684   76.157   11.823 -7.615768 20.44872 
1 1 1    6   22   36 o  143.338   8.8403  3186.13  384.877  3351.70  878.017  3146.75  428.209  142.171   20.854  142.151   9.9317 0.1948547E-01 23.09781 
1 1 1    6   22   37 o  104.663   3.2013  1674.70  102.267  2022.95  243.221  1599.91  112.715  114.443   6.9966  102.274   3.6108 12.16830 7.873367 
1 1 1    6   22   38 o  187.672   5.8026  5408.98  332.381   0.0000   0.0000  5408.98  332.381  ?   ?   187.672   5.8026 0.000000 5.802554 
1 1 1    6   22   39 o   62.536   3.3767  599.949   64.213  637.993  103.524  576.159   81.864   64.253   5.3268   61.164   4.4147 3.088783 6.918403 
1 1 1    6   22   40 o   56.702   4.3199  495.563   74.202   0.0000   0.0000  495.563   74.202  ?   ?    56.702   4.3199 0.000000 4.319935 
1 1 1    6   22   41 o  111.286   3.5467  1895.97  120.471  2858.74  228.658  1526.03  141.739  136.353   5.4942   99.728   4.6565 36.62509 7.201991 
1 1 1    6   22   42 o  108.930   5.3911  1825.30  179.244  2068.33  213.130  1238.05  331.305  115.683   6.0572   87.329   12.810 28.35387 14.17021 
1 1 1    6   22   43 o  111.255   10.395  1965.25  348.901  3226.78  837.304  1700.18  383.811  135.861   20.858  102.516   12.527 33.34511 24.33072 
1 1 1    6   22   44 o   46.559   19.228  191.268  443.618   0.0000   0.0000  191.268  443.618  ?   ?    46.559   19.228 0.000000 19.22774 
1 1 1    6   22   45 o   23.693   9.4165   49.351  101.845   86.127  715.695   48.591  102.892   52.477   23.085   23.733   9.4546 28.74387 24.94567 
1 1 1    6   23    0 o  366.145   23.402 21108.07  2590.82 21108.07  2590.82 21108.07  2590.82  366.145   23.402  366.145   23.402 0.000000 0.000000 
1 1 1    6   23    1 o  348.993   15.309 18957.35  1630.76 22296.25  2309.46 15637.02  2303.03  375.269   20.238  311.499   24.418 63.76968 31.71467 
1 1 1    6   23    2 o  203.885   10.371  6418.03  643.286  7619.12  916.922  5253.84  902.732  221.294   13.642  182.798   16.352 38.49693 21.29548 
1 1 1    6   23    3 o  303.746   13.890 14311.37  1287.71 14018.73  1826.77 14600.40  1815.47  297.320   20.251  303.762   19.687 -6.441864 28.24306 
1 1 1    6   23    4 o  177.965   8.5793  4863.79  466.017  7847.80  688.813  2345.07  632.836  225.808   9.9941  121.207   17.622 104.6007 20.25883 
1 1 1    6   23    5 o   85.775   10.567  1150.09  270.796  1540.82  406.269  837.716  363.256   98.760   13.859   71.829   16.858 26.93134 21.82388 
1 1 1    6   23    6 o   49.241   14.494  383.092  232.455  229.263  352.498  501.467  309.219   46.176   17.760   56.251   16.757 -10.07523 24.41758 
1 1 1    6   23    7 o  243.411   16.951  9306.21  1251.51   0.0000   0.0000  9306.21  1251.51  ?   ?   243.411   16.951 0.000000 16.95105 
1 1 1    6   23    8 o  222.920   15.826  7783.21  1069.78   0.0000   0.0000  7783.21  1069.78  ?   ?   222.920   15.826 0.000000 15.82556 
1 1 1    6   23    9 o  256.550   17.488 10352.83  1361.20   0.0000   0.0000 10352.83  1361.20  ?   ?   256.550   17.488 0.000000 17.48768 
1 1 1    6   23   10 o  342.263   8.5834 17991.22  896.681 18303.21  986.191 16502.85  2154.03  345.010   9.3651  321.478   22.086 23.53241 23.98993 
1 1 1    6   23   11 o  246.510   6.0807  9303.44  457.511  9800.74  539.022  8021.93  865.277  252.884   6.9834  227.403   12.515 25.48134 14.33120 
1 1 1    6   23   12 o  161.291   5.2375  3979.60  257.843  4191.52  273.913  2330.91  764.006  165.516   5.4219  119.515   21.745 46.00170 22.41084 
1 1 1    6   23   13 o  110.104   5.2132  1854.47  175.196  1826.12  182.193  2202.49  638.300  109.109   5.4884  117.115   18.468 -8.006233 19.26667 
1 1 1    6   23   14 o  305.902   9.7950 14400.27  914.542 14913.38  1814.67 14225.58  1058.84  307.014   19.466  303.586   11.427 3.428162 22.57203 
1 1 1    6   23   15 o  166.769   9.8876  4295.45  501.049  3434.61  700.367  5197.94  717.110  147.628   15.788  182.778   12.938 -35.14960 20.41193 
1 1 1    6   23   16 o  301.397   13.478 14086.03  1239.86 15726.99  1763.57 12482.31  1743.44  315.849   18.373  280.148   20.532 35.70065 27.55256 
1 1 1    6   23   17 o  171.799   5.4735  4516.37  287.016  4723.55  304.803  2895.08  852.665  175.677   5.6844  133.470   21.674 42.20747 22.40698 
1 1 1    6   23   18 o  189.584   5.7153  5501.35  330.719  5669.33  356.195  4451.44  890.494  192.421   6.0648  167.592   17.675 24.82945 18.68666 
1 1 1    6   23   19 o   61.394   18.388  600.974  371.605  600.974  371.605   0.0000   0.0000   61.394   18.388  ?   ?  0.000000 18.38781 
1 1 1    6   23   20 o  219.369   16.030  7556.92  1065.91  7556.92  1065.91   0.0000   0.0000  219.369   16.030  ?   ?  0.000000 16.03039 
1 1 1    6   23   21 o  265.818   7.9371 10848.04  643.964 10848.04  643.964   0.0000   0.0000  265.818   7.9371  ?   ?  0.000000 7.937069 
1 1 1    6   23   22 o  119.477   4.8473  2183.48  176.767  2162.46  184.572  2416.29  614.343  118.887   5.0865  123.115   16.786 -4.227516 17.54000 
1 1 1    6   23   23 o  149.965   5.1322  3441.18  234.915  3396.83  255.993  3677.71  591.186  148.956   5.6306  153.496   12.733 -4.540817 13.92284 
1 1 1    6   23   24 o  139.265   8.9224  2996.03  377.271   0.0000   0.0000  2996.03  377.271  ?   ?   139.265   8.9224 0.000000 8.922440 
1 1 1    6   23   25 o   84.803   8.8628  1118.40  226.014  1327.69  941.104  1105.59  232.828   89.883   29.600   84.249   9.2040 5.634018 30.99762 
1 1 1    6   23   26 o  190.143   8.6177  5562.71  500.138  7530.22  1182.61  5134.16  551.925  217.635   17.964  182.161   9.9645 35.47429 20.54231 
1 1 1    6   23   27 o  199.233   7.7253  6099.15  469.779  6063.82  725.559  6124.65  616.436  197.331   12.105  198.900   10.188 -1.568604 15.82179 
1 1 1    6   23   28 o  152.230   4.1555  3543.92  193.084  3901.08  225.756  2570.89  372.626  159.677   4.6321  128.750   9.5503 30.92735 10.61435 
1 1 1    6   23   29 o  172.188   5.0471  4539.15  265.253  4478.32  302.979  4738.80  548.893  170.942   5.8069  174.756   10.337 -3.813690 11.85596 
1 1 1    6   23   30 o  211.404   7.6402  6872.83  492.987  7837.15  742.955  6114.23  658.955  224.888   10.824  198.322   10.928 26.56631 15.38114 
1 1 1    6   23   31 o   18.681   7.4433   27.207   63.783  -8.5676   79.075   93.828  107.909   18.146   7.8306   27.292   9.9607 -9.146088 12.67015 
1 1 1    6   23   32 o  150.929   4.9783  3489.10  229.337  3350.55  259.822  3977.77  487.962  147.811   5.7591  159.961   10.045 -12.15001 11.57909 
1 1 1    6   23   33 o   80.131   4.1255  985.109  100.559  1084.68  363.119  976.839  104.652   81.679   15.122   79.773   4.3141 1.905334 15.72570 
1 1 1    6   23   34 o  230.026   4.6637  8104.43  327.437  8442.87  468.538  7781.35  457.782  234.365   6.5499  224.968   6.6669 9.397690 9.346017 
1 1 1    6   23   35 o   84.104   3.3521  1081.69   86.050  1294.11  131.025  920.576  114.109   91.784   4.6927   77.351   4.8579 14.43289 6.754269 
1 1 1    6   23   36 o  115.461   4.3707  2042.13  154.031  2091.52  494.430  2036.83  162.098  113.923   14.552  115.287   4.6066 -1.364662 15.26347 
1 1 1    6   23   37 o  125.785   4.6348  2425.71  177.943  2496.19  193.703  2044.70  450.374  127.555   4.9753  112.935   13.322 14.61967 14.22068 
1 1 1    6   23   38 o   45.272   14.998  318.460  241.491   0.0000   0.0000  318.460  241.491  ?   ?    45.272   14.998 0.000000 14.99815 
1 1 1    6   23   39 o  177.450   6.9039  4864.52  373.929  4864.52  373.929   0.0000   0.0000  177.450   6.9039  ?   ?  0.000000 6.903948 
1 1 1    6   23   40 o  143.608   6.6617  3186.74  291.998  3186.74  291.998   0.0000   0.0000  143.608   6.6617  ?   ?  0.000000 6.661671 
1 1 1    6   23   41 o   34.027   8.0652  187.273   82.486   75.983  170.514  221.272   94.247   30.131   12.113   36.954   8.5289 -6.823112 14.81462 
1 1 1    6   23   42 o  101.987   18.428  1802.29  552.525   0.0000   0.0000  1802.29  552.525  ?   ?   101.987   18.428 0.000000 18.42787 
1 1 1    6   23   43 o   52.769   19.013  442.081  391.379  607.435  739.060  377.638  461.384   63.227   25.289   52.105   20.241 11.12135 32.39187 
1 1 1    6   24    0 o  111.833   14.320  2013.87  466.868  2013.87  466.868  2013.87  466.868  111.833   14.320  111.833   14.320 0.000000 0.000000 
1 1 1    6   24    1 o  222.327   11.107  7625.94  753.694  7703.39  1067.32  7548.91  1064.45  221.677   15.880  219.385   16.007 2.291428 22.54751 
1 1 1    6   24    2 o   89.734   14.103  1279.03  373.529   0.0000   0.0000  1279.03  373.529  ?   ?    89.734   14.103 0.000000 14.10313 
1 1 1    6   24    3 o  139.234   12.827  3025.94  539.000   0.0000   0.0000  3025.94  539.000  ?   ?   139.234   12.827 0.000000 12.82735 
1 1 1    6   24    4 o   34.665   14.182   68.840  238.477   0.0000   0.0000   68.840  238.477  ?   ?    34.665   14.182 0.000000 14.18154 
1 1 1    6   24    5 o   79.843   14.050  1017.61  329.889   0.0000   0.0000  1017.61  329.889  ?   ?    79.843   14.050 0.000000 14.04976 
1 1 1    6   24    6 o  188.341   14.650  5548.24  835.551   0.0000   0.0000  5548.24  835.551  ?   ?   188.341   14.650 0.000000 14.65014 
1 1 1    6   24    7 o   89.711   4.3624  1230.31  119.449  1347.81  126.645  283.685  359.477   93.895   4.4191   48.369   18.085 45.52546 18.61701 
1 1 1    6   24    8 o   49.799   6.4583  386.177   95.852  394.090  100.262  302.108  326.810   50.277   6.7003   47.901   17.357 2.375980 18.60525 
1 1 1    6   24    9 o  260.820   6.6692 10423.30  530.921 10837.71  582.427  8386.25  1291.30  265.870   7.1772  230.205   18.535 35.66525 19.87608 
1 1 1    6   24   10 o  278.264   12.122 11974.04  1029.56 14690.67  1476.95  9406.20  1435.94  306.416   15.846  243.415   19.491 63.00154 25.11960 
1 1 1    6   24   11 o   48.315   15.003  362.485  244.462  718.790  421.392  181.740  300.129   66.768   19.475   42.155   16.339 24.61240 25.42142 
1 1 1    6   24   12 o  350.974   23.121 19794.35  2462.94 19794.35  2462.94   0.0000   0.0000  350.974   23.121  ?   ?  0.000000 23.12065 
1 1 1    6   24   13 o  195.836   15.043  6008.58  892.316  6008.58  892.316   0.0000   0.0000  195.836   15.043  ?   ?  0.000000 15.04319 
1 1 1    6   24   14 o  229.071   7.1727  8046.74  501.498  8046.74  501.498   0.0000   0.0000  229.071   7.1727  ?   ?  0.000000 7.172694 
1 1 1    6   24   15 o   99.266   5.0311  1511.27  151.937  1511.27  151.937   0.0000   0.0000   99.266   5.0311  ?   ?  0.000000 5.031127 
1 1 1    6   24   16 o  106.328   14.644  1791.86  462.637  1791.86  462.637   0.0000   0.0000  106.328   14.644  ?   ?  0.000000 14.64370 
1 1 1    6   24   17 o  363.129   16.123 20638.31  1786.95 21485.21  2534.11 19800.69  2520.20  365.350   22.839  349.963   23.734 15.38654 32.93846 
1 1 1    6   24   18 o  199.310   6.5029  6088.13  395.598  6088.13  395.598   0.0000   0.0000  199.310   6.5029  ?   ?  0.000000 6.502897 
1 1 1    6   24   19 o  302.810   7.4785 14073.78  691.193 13740.64  817.419 14909.57  1294.74  298.833   8.9619  309.598   13.701 -10.76523 16.37208 
1 1 1    6   24   20 o   85.048   4.8034  1110.05  124.179  1124.83  133.675  1016.95  335.471   85.580   5.1414   79.634   14.329 5.945580 15.22323 
1 1 1    6   24   21 o  235.937   11.669  8620.22  840.338  8106.01  1197.82  9118.61  1179.23  226.154   17.489  240.577   16.153 -14.42293 23.80712 
1 1 1    6   24   22 o  278.503   13.028 12060.71  1107.46   0.0000   0.0000 12060.71  1107.46  ?   ?   278.503   13.028 0.000000 13.02813 
1 1 1    6   24   23 o  152.021   13.146  3622.02  603.961   0.0000   0.0000  3622.02  603.961  ?   ?   152.021   13.146 0.000000 13.14568 
1 1 1    6   24   24 o   37.153   12.623  199.467  170.985   0.0000   0.0000  199.467  170.985  ?   ?    37.153   12.623 0.000000 12.62330 
1 1 1    6   24   25 o  140.173   5.4183  3009.49  231.818  3222.73  262.656  2258.02  493.081  145.002   5.9347  119.511   13.769 25.49044 14.99366 
1 1 1    6   24   26 o  309.129   5.4442 14639.46  513.680 15016.59  566.609 12899.12  1217.19  312.974   5.9314  287.176   13.887 25.79800 15.10025 
1 1 1    6   24   27 o  208.306   3.7398  6634.52  237.777  6987.04  307.201  6107.75  375.532  213.650   4.7109  199.542   6.1659 14.10791 7.759535 
1 1 1    6   24   28 o   33.884   10.278  178.965  115.561  255.299  166.997  108.826  160.078   40.394   12.377   31.470   12.001 8.923519 17.23926 
1 1 1    6   24   29 o   36.748   6.3016  213.077   68.137  209.180   75.023  231.428  162.811   36.282   7.0285   38.757   12.275 -2.474960 14.14452 
1 1 1    6   24   30 o  181.589   4.1745  5046.18  231.372  5126.54  244.604  4363.08  713.158  183.004   4.3791  165.900   14.221 17.10391 14.88029 
1 1 1    6   24   31 o  153.533   6.0038  3619.23  281.346  3619.23  281.346   0.0000   0.0000  153.533   6.0038  ?   ?  0.000000 6.003762 
1 1 1    6   24   32 o  141.889   5.4925  3089.15  237.867  3089.15  237.867   0.0000   0.0000  141.889   5.4925  ?   ?  0.000000 5.492456 
1 1 1    6   24   33 o   71.521   4.6323  787.139  100.580   0.0000   0.0000  787.139  100.580  ?   ?    71.521   4.6323 0.000000 4.632340 
1 1 1    6   24   34 o  128.837   7.2561  2568.97  284.176  2749.34  536.798  2498.73  334.964  131.078   13.616  126.668   8.7170 4.410423 16.16728 
1 1 1    6   24   35 o  150.502   4.5894  3473.39  210.822  3582.27  249.219  3199.41  395.319  152.712   5.3468  143.174   9.0934 9.538483 10.54881 
1 1 1    6   24   36 o   94.386   11.304  1420.68  319.174  1637.57  909.792  1390.24  340.837   92.765   28.965   92.991   12.311 -0.2251129 31.47315 
1 1 1    6   24   37 o  163.302   5.0909  4098.37  253.746  4752.90  1036.29  4056.63  261.713  166.072   20.907  162.425   5.2790 3.646805 21.56359 
1 1 1    6   24   38 o   73.237   4.3874  826.096   97.621  683.996  830.635  828.086   98.303   67.601   26.884   73.321   4.4131 -5.720673 27.24414 
1 1 1    6   24   39 o   86.911   19.981  1339.72  518.955   0.0000   0.0000  1339.72  518.955  ?   ?    86.911   19.981 0.000000 19.98096 
1 1 1    6   24   40 o   37.510   16.932 -131.7888  411.805   0.0000   0.0000 -131.7888  411.805  ?   ?    37.510   16.932 0.000000 16.93234 
1 1 1    6   24   41 o   25.052   10.898 -15.4746  155.664   1.7926  167.793 -122.1243  417.005   26.665   11.456   37.812   17.057 -11.14697 20.54681 
1 1 1    6   25    2 o  313.335   20.798 15661.18  1977.80 15661.18  1977.80   0.0000   0.0000  313.335   20.798  ?   ?  0.000000 20.79843 
1 1 1    6   25    3 o  125.304   5.2146  2402.40  199.436  2402.40  199.436   0.0000   0.0000  125.304   5.2146  ?   ?  0.000000 5.214613 
1 1 1    6   25    4 f  245.374   6.8684  9230.13  514.399  9181.58  564.611  9467.22  1247.77  244.611   7.5623  245.252   16.769 -0.6410522 18.39566 
1 1 1    6   25    5 o  119.399   4.1398  2179.23  150.869  2404.92  163.235  856.756  395.148  125.423   4.2640   72.417   17.964 53.00583 18.46320 
1 1 1    6   25    6 o  302.096   13.573 14176.31  1251.54 15344.68  1787.29 13052.22  1753.09  311.234   18.904  286.216   20.197 25.01770 27.66376 
1 1 1    6   25    7 o   96.486   9.9588  1449.27  289.068  4154.60  506.598  143.186  351.997  163.863   10.179   43.185   17.389 120.6778 20.14928 
1 1 1    6   25    8 o  231.059   11.065  8245.71  780.321  9559.25  1133.89  7063.96  1075.51  247.088   15.108  211.624   16.788 35.46387 22.58514 
1 1 1    6   25    9 o  261.625   12.027 10595.66  960.441 12909.25  1376.13  8398.41  1341.09  286.923   15.774  229.660   19.311 57.26265 24.93469 
1 1 1    6   25   10 o  146.530   9.8766  3323.27  439.146  4095.70  651.052  2678.47  594.840  161.879   13.294  130.144   15.265 31.73466 20.24217 
1 1 1    6   25   11 o  216.867   6.3463  7206.78  420.082  7277.54  453.408  6777.79  1116.35  217.861   6.8186  206.729   17.868 11.13107 19.12459 
1 1 1    6   25   12 o  121.935   5.3579  2275.75  199.409  2203.25  208.494  3053.65  682.956  119.955   5.6946  138.651   16.460 -18.69610 17.41687 
1 1 1    6   25   13 o  156.965   11.197  3827.67  532.917  3685.52  716.818  4003.33  796.834  152.746   15.594  158.882   16.680 -6.135788 22.83438 
1 1 1    6   25   14 o  234.842   12.188  8570.93  870.624  9105.58  1223.88  8023.21  1238.75  240.163   16.802  224.709   18.218 15.45375 24.78313 
1 1 1    6   25   15 o  279.857   10.749 12101.67  918.180 12387.95  1595.40 11959.89  1122.76  279.046   18.842  277.321   13.264 1.725372 23.04269 
1 1 1    6   25   16 o  127.121   4.5991  2471.91  178.445  2567.50  193.196  1916.65  465.614  129.536   4.8864  110.003   14.199 19.53295 15.01641 
1 1 1    6   25   17 o  258.106   7.2384 10226.92  570.239  9968.00  618.401 11697.65  1473.85  254.663   7.9559  271.474   17.887 -16.81126 19.57691 
1 1 1    6   25   18 o  197.092   11.246  6033.62  673.693  6383.10  922.989  5635.13  985.581  201.341   15.130  188.193   17.354 13.14844 23.02308 
1 1 1    6   25   19 o  147.808   13.183  3428.14  588.484   0.0000   0.0000  3428.14  588.484  ?   ?   147.808   13.183 0.000000 13.18266 
1 1 1    6   25   20 o   91.733   13.318  1337.43  361.999   0.0000   0.0000  1337.43  361.999  ?   ?    91.733   13.318 0.000000 13.31828 
1 1 1    6   25   21 o  180.447   10.114  5048.69  554.789   0.0000   0.0000  5048.69  554.789  ?   ?   180.447   10.114 0.000000 10.11378 
1 1 1    6   25   22 o  197.129   10.339  6029.35  619.927   0.0000   0.0000  6029.35  619.927  ?   ?   197.129   10.339 0.000000 10.33926 
1 1 1    6   25   23 o  198.386   10.354  6109.85  624.783   0.0000   0.0000  6109.85  624.783  ?   ?   198.386   10.354 0.000000 10.35402 
1 1 1    6   25   24 o   87.105   4.5563  1164.47  120.715  1044.55  137.454  1568.86  252.410   82.373   5.4987  100.568   8.2970 -18.19498 9.953682 
1 1 1    6   25   25 o  269.170   12.699 11321.74  1043.28   0.0000   0.0000 11321.74  1043.28  ?   ?   269.170   12.699 0.000000 12.69859 
1 1 1    6   25   26 o   36.838   12.393  199.730  164.776  216.675  926.851  199.177  167.443   64.029   27.201   36.902   12.492 27.12743 29.93208 
1 1 1    6   25   27 o   88.528   4.2486  1199.59  114.802  1184.30  131.002  1250.21  238.324   87.783   4.9090   89.520   8.8376 -1.737511 10.10950 
1 1 1    6   25   28 o   21.682   7.6557   63.288   63.147   60.768   66.043   90.148  215.592   21.678   7.8105   33.852   13.617 -12.17386 15.69763 
1 1 1    6   25   29 f  168.721   5.3648  4367.46  276.273  4480.15  716.300  4347.77  299.442  167.748   14.121  168.260   5.8306 -0.5117645 15.27780 
1 1 1    6   25   30 o   46.485   3.8937  333.056   54.735  335.106   85.494  331.632   71.253   46.280   6.2089   46.215   5.1383 0.6507492E-01 8.059271 
1 1 1    6   25   31 f   41.651   3.8306  267.796   48.152  251.859   82.368  276.071   59.349   39.845   7.0298   42.177   4.6896 -2.332771 8.450466 
1 1 1    6   25   32 o   32.760   12.199  133.288  163.233  128.683  299.698  135.230  194.635   39.497   15.996   34.506   13.215 4.991631 20.74825 
1 1 1    6   25   33 o   45.326   4.9050  319.022   66.775  263.110   79.607  451.747  122.651   40.795   6.6203   53.483   7.7384 -12.68782 10.18386 
1 1 1    6   25   34 o   71.399   8.0318  800.885  171.997  715.008  230.720  908.310  258.047   66.319   11.832   75.006   11.650 -8.686295 16.60451 
1 1 1    6   25   35 o  129.067   4.3268  2556.07  170.451  2220.06  285.554  2742.07  212.452  119.290   7.8872  133.517   5.2132 -14.22632 9.454424 
1 1 1    6   25   36 o   68.147   7.7181  730.607  157.707  830.151  216.311  617.654  230.420   71.973   10.127   61.058   12.774 10.91518 16.30139 
1 1 1    6   25   37 o   94.047   4.4842  1358.95  128.721   0.0000   0.0000  1358.95  128.721  ?   ?    94.047   4.4842 0.000000 4.484213 
1 1 1    6   25   38 o   81.047   6.1921  1021.90  152.018  1124.67  862.359  1018.61  154.436   76.148   28.101   80.888   6.3051 -4.739899 28.79996 
1 1 1    6   26    0 o   70.017   20.572  928.403  381.984  928.403  381.984  928.403  381.984   70.017   20.572   70.017   20.572 0.000000 0.000000 
1 1 1    6   26    1 o  158.154   10.024  3873.63  481.370  4121.41  703.398  3655.36  660.176  161.939   14.381  152.446   14.357 9.493439 20.32076 
1 1 1    6   26    2 o  121.120   5.1676  2245.29  191.041  2181.82  206.523  2621.66  502.893  119.361   5.6688  129.296   12.916 -9.935196 14.10515 
1 1 1    6   26    3 o  242.507   6.6635  9018.34  493.223  9099.17  541.439  8624.17  1195.62  243.477   7.2858  233.576   16.884 9.901321 18.38924 
1 1 1    6   26    4 o  143.619   15.290  3261.49  659.957  3261.49  659.957   0.0000   0.0000  143.619   15.290  ?   ?  0.000000 15.29030 
1 1 1    6   26    5 o   58.061   20.223  491.261  439.703  491.261  439.703   0.0000   0.0000   58.061   20.223  ?   ?  0.000000 20.22277 
1 1 1    6   26    6 o  199.145   15.977  6259.54  962.971  6259.54  962.971   0.0000   0.0000  199.145   15.977  ?   ?  0.000000 15.97709 
1 1 1    6   26    7 f   69.947   20.689  797.456  472.646  797.456  472.646   0.0000   0.0000   69.947   20.689  ?   ?  0.000000 20.68933 
1 1 1    6   26    8 o  141.421   15.631  3170.92  663.453  3170.92  663.453   0.0000   0.0000  141.421   15.631  ?   ?  0.000000 15.63148 
1 1 1    6   26    9 o  364.746   10.405 20554.14  1158.40 20554.14  1158.40   0.0000   0.0000  364.746   10.405  ?   ?  0.000000 10.40519 
1 1 1    6   26   10 o  115.744   5.1597  2050.79  182.280  2083.26  189.255  1634.46  677.677  116.646   5.3157   98.723   22.929 17.92336 23.53701 
1 1 1    6   26   11 o  171.145   10.924  4550.23  567.648  4884.14  789.783  4193.41  816.431  176.060   14.835  162.351   16.715 13.70888 22.34877 
1 1 1    6   26   12 o  328.773   11.928 16776.27  1196.98 17308.90  2071.94 16509.46  1466.46  327.845   20.814  324.690   14.797 3.154846 25.53758 
1 1 1    6   26   13 o  204.092   11.943  6487.92  740.701  7794.91  1020.63  5033.56  1076.63  222.458   15.121  176.217   20.394 46.24028 25.38833 
1 1 1    6   26   14 o   99.531   5.2316  1521.14  158.375  1519.84  168.074  1531.39  473.068   99.450   5.5593   97.324   16.516 2.126343 17.42630 
1 1 1    6   26   15 o   91.893   4.8607  1296.15  135.846  1372.11  148.293  899.804  338.737   94.521   5.1597   74.383   15.426 20.13755 16.26611 
1 1 1    6   26   16 o  182.767   14.351  5263.84  794.147   0.0000   0.0000  5263.84  794.147  ?   ?   182.767   14.351 0.000000 14.35137 
1 1 1    6   26   17 o   50.674   15.988  402.240  276.428   0.0000   0.0000  402.240  276.428  ?   ?    50.674   15.988 0.000000 15.98829 
1 1 1    6   26   18 o  214.776   6.7734  7084.30  444.027   0.0000   0.0000  7084.30  444.027  ?   ?   214.776   6.7734 0.000000 6.773401 
1 1 1    6   26   19 o  163.138   4.8787  4075.37  242.926  4153.08  280.681  3843.40  484.951  164.600   5.5868  157.231   10.159 7.368713 11.59431 
1 1 1    6   26   20 o   96.173   8.2444  1435.81  239.667  1504.85  442.257  1407.11  285.171   96.512   15.541   94.822   10.004 1.690025 18.48259 
1 1 1    6   26   21 o  151.302   9.6727  3557.45  444.356  3292.67  656.507  3781.30  603.643  143.650   15.204  154.959   12.880 -11.30875 19.92622 
1 1 1    6   26   22 o  283.031   6.6958 12312.63  578.433 12817.59  685.509 11064.25  1077.85  288.415   7.7871  265.200   13.359 23.21564 15.46262 
1 1 1    6   26   23 o  106.684   4.3450  1742.40  141.484  1731.16  159.913  1782.93  303.571  106.291   4.9291  106.909   9.3986 -0.6179581 10.61272 
1 1 1    6   26   24 o  111.742   7.3601  1931.69  249.621  1847.55  433.592  1973.40  305.288  107.567   13.504  112.585   8.9582 -5.018211 16.20518 
1 1 1    6   26   25 o   90.042   4.0543  1241.05  111.422  1315.34  125.111  956.160  244.986   92.671   4.4232   77.680   10.610 14.99121 11.49528 
1 1 1    6   26   26 o  169.094   5.0866  4385.63  262.529  4276.74  309.199  4666.92  496.937  166.804   6.0732  173.130   9.4396 -6.326233 11.22451 
1 1 1    6   26   27 o   71.671   10.171  815.510  216.249  842.721  324.752  793.833  289.857   71.344   15.367   69.555   14.135 1.789032 20.87962 
1 1 1    6   26   28 f  179.350   6.0790  4949.10  332.772  4949.10  332.772   0.0000   0.0000  179.350   6.0790  ?   ?  0.000000 6.078967 
1 1 1    6   26   29 o  199.326   15.231  6427.81  919.608   0.0000   0.0000  6427.81  919.608  ?   ?   199.326   15.231 0.000000 15.23076 
1 1 1    6   26   30 o   73.813   9.8282  865.742  215.921  797.117  315.076  926.509  296.487   69.006   15.355   75.225   13.404 -6.218742 20.38285 
1 1 1    6   26   31 o   65.760   4.0339  665.357   80.575  684.710  101.999  633.236  131.408   66.560   5.0585   63.648   6.8734 2.912567 8.534166 
1 1 1    6   26   32 o   91.720   10.161  1337.45  279.689  1561.65  969.985  1317.12  292.095   88.679   30.066   90.800   10.748 -2.120453 31.92973 
1 1 1    6   26   33 o   92.906   5.3107  1333.21  149.970  1410.70  962.647  1331.29  151.823   84.273   29.877   92.824   5.3818 -8.551025 30.35738 
1 1 1    6   26   34 o  100.789   10.058  1617.24  305.274  1969.62  967.356  1578.27  321.714   97.516   29.772   99.249   10.794 -1.732246 31.66829 
1 1 1    6   26   35 o   37.589   13.539  202.240  198.444   0.0000   0.0000  202.240  198.444  ?   ?    37.589   13.539 0.000000 13.53932 
1 1 1    6   26   36 o  129.822   6.7376  2623.17  266.059  2655.99  285.808  2410.00  728.388  130.452   7.2060  114.845   21.572 15.60731 22.74336 
1 1 1    6   27    0 o  228.389   16.870  8202.31  1161.22  8202.31  1161.22  8202.31  1161.22  228.389   16.870  228.389   16.870 0.000000 0.000000 
1 1 1    6   27    1 o  138.649   4.8719  2942.61  206.175  3089.35  220.495  1921.67  581.584  142.045   5.0858  108.662   18.178 33.38279 18.87565 
1 1 1    6   27    2 o   49.789   7.2499  388.680  106.940  382.680  110.898  468.270  403.916   49.330   7.6102   56.203   19.393 -6.872513 20.83299 
1 1 1    6   27    3 o   99.504   16.641  1602.09  487.560   0.0000   0.0000  1602.09  487.560  ?   ?    99.504   16.641 0.000000 16.64127 
1 1 1    6   27    4 o  189.508   15.355  5680.87  880.543   0.0000   0.0000  5680.87  880.543  ?   ?   189.508   15.355 0.000000 15.35518 
1 1 1    6   27    5 o   54.847   16.316  482.586  293.309  939.523  440.836  119.629  392.895   75.274   19.143   44.114   18.143 31.15994 26.37489 
1 1 1    6   27    6 o   50.949   14.639  417.111  239.716  565.070  434.690  352.451  287.360   60.422   20.127   48.578   16.365 11.84448 25.94093 
1 1 1    6   27    7 o   52.755   17.453  425.719  327.042  425.719  327.042   0.0000   0.0000   52.755   17.453  ?   ?  0.000000 17.45263 
1 1 1    6   27    8 o  227.868   7.1543  7978.60  497.582  7978.60  497.582   0.0000   0.0000  227.868   7.1543  ?   ?  0.000000 7.154258 
1 1 1    6   27    9 o  105.022   17.924  1799.08  553.921  1799.08  553.921   0.0000   0.0000  105.022   17.924  ?   ?  0.000000 17.92351 
1 1 1    6   27   10 o   72.185   12.563  834.495  266.737  1058.71  467.289  726.126  324.863   79.733   19.389   66.508   16.162 13.22516 25.24126 
1 1 1    6   27   11 o  406.639   14.381 25969.94  1784.96 25565.79  3087.99 26172.73  2187.42  390.423   26.063  405.300   17.682 -14.87659 31.49514 
1 1 1    6   27   12 f  228.282   7.1702  8011.74  499.595  8011.74  499.595   0.0000   0.0000  228.282   7.1702  ?   ?  0.000000 7.170151 
1 1 1    6   27   13 o   39.800   17.898 -181.9867  455.100   0.0000   0.0000 -181.9867  455.100  ?   ?    39.800   17.898 0.000000 17.89834 
1 1 1    6   27   14 o  235.445   17.247  8878.80  1230.80   0.0000   0.0000  8878.80  1230.80  ?   ?   235.445   17.247 0.000000 17.24695 
1 1 1    6   27   15 o  147.897   13.282  3454.17  593.191   0.0000   0.0000  3454.17  593.191  ?   ?   147.897   13.282 0.000000 13.28233 
1 1 1    6   27   16 o  190.355   5.5547  5557.05  322.733  5700.30  354.112  4854.54  784.183  192.711   6.0203  174.755   14.842 17.95668 16.01677 
1 1 1    6   27   17 o  148.998   5.3441  3403.94  243.036  3287.12  264.726  4030.46  613.078  146.341   5.9267  159.958   12.661 -13.61772 13.97918 
1 1 1    6   27   18 o  314.513   14.396 15627.61  1381.97 16596.54  1962.84 14675.15  1946.07  318.296   20.310  297.978   21.542 20.31854 29.60686 
1 1 1    6   27   19 o  163.560   9.5533  4161.80  474.847  4823.78  696.766  3587.72  648.860  174.686   13.165  150.017   14.346 24.66882 19.47081 
1 1 1    6   27   20 o   56.059   3.7883  483.052   64.440  438.030  100.987  513.974   83.693   53.005   6.3696   57.715   4.7944 -4.709908 7.972367 
1 1 1    6   27   21 o  151.221   4.6222  3504.24  213.345  3689.84  246.116  2943.18  427.908  155.090   5.1992  137.117   10.300 17.97319 11.53763 
1 1 1    6   27   22 o   59.001   11.089  560.986  192.358  752.615  364.638  487.094  226.427   66.943   17.609   54.444   13.651 12.49940 22.28103 
1 1 1    6   27   23 f   77.429   5.1158  923.978  120.220  915.149  124.295  1052.05  473.399   77.026   5.3195   78.375   19.787 -1.348824 20.48915 
1 1 1    6   27   24 o  141.264   5.3484  3065.02  230.605  3065.02  230.605   0.0000   0.0000  141.264   5.3484  ?   ?  0.000000 5.348365 
1 1 1    6   27   25 o   94.625   13.454  1449.77  377.627  1449.77  377.627   0.0000   0.0000   94.625   13.454  ?   ?  0.000000 13.45379 
1 1 1    6   27   26 o   47.135   5.4667  346.120   77.188  346.120   77.188   0.0000   0.0000   47.135   5.4667  ?   ?  0.000000 5.466658 
1 1 1    6   27   27 f   71.571   4.2349  788.244   92.099  784.369   95.658  837.443  340.817   71.369   4.4130   70.354   16.205 1.014236 16.79551 
1 1 1    6   27   28 o  127.311   5.5091  2495.25  214.075  2591.33  236.012  2049.28  508.474  129.642   5.9644  111.312   15.377 18.33034 16.49299 
1 1 1    6   27   29 o   46.123   11.677  350.932  164.540  298.315  220.557  416.966  247.085   43.447   14.330   50.081   14.993 -6.633759 20.73977 
1 1 1    6   27   30 o   34.356   12.422  163.172  167.261  107.413  212.649  253.637  270.862   33.921   13.566   42.609   15.744 -8.687969 20.78258 
1 1 1    6   27   31 o   54.655   10.190  485.930  163.735  529.031  219.123  431.439  246.378   56.215   13.026   50.636   14.926 5.578133 19.81076 
1 1 1    6   27   32 o   71.682   12.421  848.103  261.919   0.0000   0.0000  848.103  261.919  ?   ?    71.682   12.421 0.000000 12.42135 
1 1 1    6   27   33 o  129.833   5.4545  2602.20  216.153   0.0000   0.0000  2602.20  216.153  ?   ?   129.833   5.4545 0.000000 5.454540 
1 1 1    6   28    0 o  160.803   15.093  4102.14  725.788  4102.14  725.788  4102.14  725.788  160.803   15.093  160.803   15.093 -0.000000 0.000000 
1 1 1    6   28    1 o  235.293   6.6108  8506.63  474.770  8575.21  518.611  8151.68  1179.84  236.092   7.1969  225.354   17.285 10.73839 18.72326 
1 1 1    6   28    2 o  107.594   11.187  1819.43  362.008  2278.98  520.342  1388.35  503.964  119.439   14.576   91.452   18.686 27.98788 23.69842 
1 1 1    6   28    3 o  142.393   10.369  3162.32  447.545  2324.46  635.456  3986.96  630.423  119.286   18.015  159.004   13.107 -39.71809 22.27813 
1 1 1    6   28    4 o  232.206   11.886  8433.03  839.586  7799.77  1191.28  9058.00  1183.47  219.949   17.900  238.130   16.382 -18.18109 24.26511 
1 1 1    6   28    5 o  246.999   17.978  9833.56  1346.05  9833.56  1346.05   0.0000   0.0000  246.999   17.978  ?   ?  0.000000 17.97782 
1 1 1    6   28    6 o  255.902   18.446 10586.59  1431.07 10586.59  1431.07   0.0000   0.0000  255.902   18.446  ?   ?  0.000000 18.44558 
1 1 1    6   28    7 o   94.031   5.5918  1360.98  159.765  1360.98  159.765   0.0000   0.0000   94.031   5.5918  ?   ?  0.000000 5.591837 
1 1 1    6   28    8 o  159.878   10.914  3995.12  529.417  4428.15  737.458  3534.62  760.492  166.838   14.630  147.773   17.182 19.06491 22.56632 
1 1 1    6   28    9 o  228.546   12.045  8186.94  837.258   0.0000   0.0000  8186.94  837.258  ?   ?   228.546   12.045 0.000000 12.04497 
1 1 1    6   28   10 o  344.133   15.639 18831.41  1642.72   0.0000   0.0000 18831.41  1642.72  ?   ?   344.133   15.639 0.000000 15.63940 
1 1 1    6   28   11 o   79.830   18.195  1065.55  433.461   0.0000   0.0000  1065.55  433.461  ?   ?    79.830   18.195 0.000000 18.19455 
1 1 1    6   28   12 o  158.696   10.961  3943.52  527.669   0.0000   0.0000  3943.52  527.669  ?   ?   158.696   10.961 0.000000 10.96097 
1 1 1    6   28   13 o  202.207   8.8594  6330.05  546.784  6449.01  964.419  6273.70  663.776  200.417   15.896  200.298   10.898 0.1191711 19.27341 
1 1 1    6   28   14 o   31.988   13.061   66.368  201.777  261.957  405.166   1.8608  232.684   48.459   18.928   31.603   13.532 16.85647 23.26754 
1 1 1    6   28   15 o  128.464   4.1715  2527.11  163.564  2823.40  186.983  1561.58  337.546  135.747   4.5129   99.321   11.338 36.42599 12.20294 
1 1 1    6   28   16 o  202.230   5.8335  6284.32  360.075  6396.73  395.221  5735.29  873.444  203.902   6.3504  188.918   15.278 14.98398 16.54566 
1 1 1    6   28   17 o   92.031   17.400  1411.80  470.859   0.0000   0.0000  1411.80  470.859  ?   ?    92.031   17.400 0.000000 17.39995 
1 1 1    6   28   18 o   41.351   16.397  169.189  308.134  169.189  308.134   0.0000   0.0000   41.351   16.397  ?   ?  0.000000 16.39658 
1 1 1    6   28   21 o  252.199   18.491 10585.46  1413.46 10585.46  1413.46   0.0000   0.0000  252.199   18.491  ?   ?  0.000000 18.49105 
1 1 1    6   28   22 o   88.994   5.0913  1220.92  137.723  1220.92  137.723   0.0000   0.0000   88.994   5.0913  ?   ?  0.000000 5.091349 
1 1 1    6   28   23 o  123.363   5.2245  2340.33  196.720  2340.33  196.720   0.0000   0.0000  123.363   5.2245  ?   ?  0.000000 5.224500 
1 1 1    6   28   24 o  114.439   10.363  2077.36  358.041  2119.47  465.373  2016.27  560.481  114.072   13.636  109.152   17.408 4.920158 22.11329 
1 1 1    6   28   25 o   95.600   4.7320  1404.55  138.076  1336.61  143.450  2260.66  509.239   93.077   5.0685  117.174   14.552 -24.09703 15.40951 
1 1 1    6   28   26 o  114.781   4.7732  2025.74  167.222  1997.77  175.548  2299.76  549.498  113.936   5.0480  117.268   15.750 -3.332512 16.53946 
1 1 1    6   28   27 f  144.307   15.675  3478.59  679.333   0.0000   0.0000  3478.59  679.333  ?   ?   144.307   15.675 0.000000 15.67541 
1 1 1    6   28   28 o   80.618   15.840  1111.27  375.872  1977.12  1011.11  972.434  404.887   95.761   30.617   74.207   18.049 21.55426 35.54137 
1 1 1    6   28   29 o   69.272   17.741  849.670  376.751  895.200  952.044  841.217  410.240   70.844   28.573   68.419   18.979 2.425514 34.30163 
1 1 1    6   29    0 o   47.231   23.305  520.856  402.552  520.856  402.552  520.856  402.552   47.231   23.305   47.231   23.305 0.000000 0.000000 
1 1 1    6   29    1 o  199.222   6.0352  6100.89  366.980  6068.63  399.439  6275.57  929.386  198.557   6.5910  197.575   15.537 0.9813538 16.87708 
1 1 1    6   29    2 o  120.746   4.8462  2235.44  178.602  2295.43  190.349  1793.90  516.417  122.325   5.0982  104.442   16.767 17.88253 17.52490 
1 1 1    6   29    3 o   53.151   19.222  407.156  400.545  407.156  400.545   0.0000   0.0000   53.151   19.222  ?   ?  0.000000 19.22212 
1 1 1    6   29    4 o  117.026   15.498  2223.23  539.958  2223.23  539.958   0.0000   0.0000  117.026   15.498  ?   ?  0.000000 15.49816 
1 1 1    6   29    6 o  111.080   14.989  2000.33  495.224   0.0000   0.0000  2000.33  495.224  ?   ?   111.080   14.989 0.000000 14.98943 
1 1 1    6   29    7 o   63.200   18.724  668.770  386.868   0.0000   0.0000  668.770  386.868  ?   ?    63.200   18.724 0.000000 18.72385 
1 1 1    6   29    8 o  143.892   14.523  3330.44  629.108   0.0000   0.0000  3330.44  629.108  ?   ?   143.892   14.523 0.000000 14.52288 
1 1 1    6   29    9 o  168.346   10.423  4442.94  532.922  5103.92  768.653  3831.11  739.521  178.496   14.227  153.523   16.018 24.97296 21.42362 
1 1 1    6   29   10 o  126.475   4.8332  2453.83  186.575  2561.37  199.619  1710.71  524.746  129.184   5.0626  101.259   17.618 27.92470 18.33129 
1 1 1    6   29   11 o  323.315   8.2148 16198.37  810.665 16638.07  890.150 14060.94  1962.61  327.235   8.9122  286.695   22.612 40.53967 24.30482 
1 1 1    6   29   12 o   50.721   16.684  408.436  299.011  712.738  407.829   54.720  439.698   64.809   19.230   43.654   18.644 21.15504 26.78428 
1 1 1    6   29   13 o  116.195   10.949  2137.11  383.743  2399.89  534.354  1857.27  551.437  121.523   14.706  105.228   17.804 16.29455 23.09207 
1 1 1    6   29   14 o   99.684   5.1443  1530.51  155.986  1501.37  164.471  1791.27  491.997   98.666   5.4830  104.089   15.998 -5.422188 16.91169 
1 1 1    6   29   15 o  238.714   7.4251  8820.79  541.002  8820.79  541.002   0.0000   0.0000  238.714   7.4251  ?   ?  0.000000 7.425142 
1 1 1    6   29   16 o   67.541   19.903  791.061  438.122  791.061  438.122   0.0000   0.0000   67.541   19.903  ?   ?  0.000000 19.90294 
1 1 1    6   29   18 o   98.117   4.5791  1478.19  137.134  1492.63  146.303  1373.66  393.574   98.557   4.8635   91.133   14.645 7.424301 15.43175 
1 1 1    6   29   19 o   72.318   16.602  894.534  358.710  894.534  358.710   0.0000   0.0000   72.318   16.602  ?   ?  0.000000 16.60191 
1 1 1    6   29   20 o   87.333   15.593  1282.84  400.405  1282.84  400.405   0.0000   0.0000   87.333   15.593  ?   ?  0.000000 15.59327 
1 1 1    6   29   21 o  120.828   5.1816  2247.89  191.096  2247.89  191.096   0.0000   0.0000  120.828   5.1816  ?   ?  0.000000 5.181649 
1 1 1    6   29   22 o   80.900   5.0829  1011.61  124.872  1011.61  124.872   0.0000   0.0000   80.900   5.0829  ?   ?  0.000000 5.082937 
1 1 1    6   29   23 o   86.268   15.841  1267.51  401.747  1267.51  401.747   0.0000   0.0000   86.268   15.841  ?   ?  0.000000 15.84132 
1 1 1    6   29   25 o  100.223   18.433  1771.99  543.095   0.0000   0.0000  1771.99  543.095  ?   ?   100.223   18.433 0.000000 18.43303 
1 1 1    6   30    4 o  102.688   10.693  1675.22  330.234  1560.17  477.815  1780.44  456.927   96.358   16.860  104.117   14.794 -7.758926 22.43100 
1 1 1    6   30    5 o  123.416   10.098  2403.99  377.036  2480.44  547.325  2334.95  520.133  123.082   14.871  119.543   14.556 3.539337 20.80869 
1 1 1    6   30    6 o  102.639   4.9172  1618.54  154.045  1621.70  164.223  1595.46  444.486  102.558   5.2640   98.146   15.340 4.411911 16.21795 
1 1 1    6   30    7 o   71.189   13.487  836.067  282.330  945.486  421.560  747.071  380.187   73.790   18.695   65.811   18.276 7.978485 26.14439 
1 1 1    6   30    8 f   86.365   11.953  1204.33  306.651  1227.06  452.311  1184.99  417.159   84.465   18.090   83.508   16.946 0.9574051 24.78705 
1 1 1    6   30    9 o   87.910   12.812  1257.79  333.668  1520.42  462.913  973.791  481.385   94.995   16.568   74.101   20.560 20.89431 26.40507 
1 1 1    6   30   10 o   71.317   5.6135  788.235  121.203  789.377  125.917  773.834  447.168   71.326   5.8350   66.461   20.231 4.864220 21.05557 
1 1 1    6   30   11 o   37.591   14.812  149.814  249.999  231.286  375.618   85.021  334.969   45.512   18.085   39.352   16.514 6.159714 24.49087 
1 1 1    6   30   12 o   42.284   15.141  261.323  247.809  269.152  360.303  254.295  341.371   46.191   17.903   45.053   17.436 1.137974 24.99044 
1 1 1    6   30   13 o  117.799   5.2672  2136.79  189.382  2136.79  189.382   0.0000   0.0000  117.799   5.2672  ?   ?  0.000000 5.267189 
1 1 1    6   30   14 f   62.358   5.9623  605.743  112.098  605.743  112.098   0.0000   0.0000   62.358   5.9623  ?   ?  0.000000 5.962276 
1 1 1    6   30   15 o   71.418   11.864  834.333  249.540  1020.75  415.249  728.960  312.201   76.271   18.108   65.164   15.849 11.10665 24.06431 
1 1 1    6   30   16 o   99.247   16.754  1683.87  489.451  1683.87  489.451   0.0000   0.0000   99.247   16.754  ?   ?  0.000000 16.75406 
1 1 1    6   30   17 o  193.436   6.4857  5798.18  382.925  5798.18  382.925   0.0000   0.0000  193.436   6.4857  ?   ?  0.000000 6.485748 
1 1 1    6   30   18 o   77.232   11.506  973.135  262.948  1022.07  404.352  937.278  346.130   76.155   17.728   73.792   15.841 2.362877 23.77426 
1 1 1    6   30   19 o  160.991   14.542  4307.33  706.867  4307.33  706.867   0.0000   0.0000  160.991   14.542  ?   ?  0.000000 14.54230 
1 1 1    6   30   20 o   18.740   7.5753   24.958   67.084   24.958   67.084   0.0000   0.0000   18.740   7.5753  ?   ?  0.000000 7.575275 
1 1 1    6   31    3 o   96.917   16.132  1596.54  460.428  1596.54  460.428   0.0000   0.0000   96.917   16.132  ?   ?  0.000000 16.13195 
1 1 1    6   31    4 o   84.552   17.312  1241.44  431.747  1241.44  431.747   0.0000   0.0000   84.552   17.312  ?   ?  0.000000 17.31234 
1 1 1    6   31    5 o  159.980   15.022  4253.88  724.945  4253.88  724.945   0.0000   0.0000  159.980   15.022  ?   ?  0.000000 15.02237 
1 1 1    6   31    6 o   51.889   6.7396  424.371  104.219  424.371  104.219   0.0000   0.0000   51.889   6.7396  ?   ?  0.000000 6.739618 
1 1 1    6   31    7 o  174.205   15.512  5074.77  816.156  5074.77  816.156   0.0000   0.0000  174.205   15.512  ?   ?  0.000000 15.51184 
1 1 1    6   31    8 o   73.290   18.944  963.341  426.854  963.341  426.854   0.0000   0.0000   73.290   18.944  ?   ?  0.000000 18.94378 
1 1 1    6   31    9 f   54.664   15.238  512.685  263.757  520.349  395.728  506.559  353.802   55.501   19.193   54.553   18.158 0.9482994 26.42115 
1 1 1    6   31   10 o  174.276   5.4841  4689.60  291.717  4765.50  317.064  4270.99  744.587  175.513   5.9186  159.440   15.496 16.07303 16.58789 
1 1 1    6   31   11 o   40.833   15.181  234.236  252.584  445.094  376.727   62.043  340.439   52.270   18.673   38.458   16.415 13.81139 24.86217 
1 1 1    6   31   12 o  179.649   10.862  5176.93  592.800  5751.01  828.518  4574.77  848.532  185.680   14.740  162.911   17.331 22.76881 22.75158 
1 1 1    6   31   13 o  127.661   4.5458  2508.45  177.126  2612.62  194.492  2002.03  428.834  130.197   4.8942  110.142   13.007 20.05458 13.89742 
1 1 1    6   31   14 o   76.010   9.4309  927.073  214.095  1516.25  411.590  708.526  250.677   94.614   14.732   64.840   13.117 29.77332 19.72524 
1 1 1    7    0    1 o  105.093   6.2305  1703.82  198.247  1703.82  198.247  1703.82  198.247  105.093   6.2305  105.093   6.2305 -0.000000 0.000000 
1 1 1    7    0    2 o   26.549   3.8203  114.065   29.095  114.065   29.095  114.065   29.095   26.549   3.8203   26.549   3.8203 0.000000 0.000000 
1 1 1    7    0    3 o  226.309   5.9500  7834.66  410.350  7834.66  410.350  7834.66  410.350  226.309   5.9500  226.309   5.9500 0.000000 0.000000 
1 1 1    7    0    4 o  806.703   33.272 100739.40  8160.60 100739.40  8160.60 100739.40  8160.60  806.703   33.272  806.703   33.272 -0.000000 0.000000 
1 1 1    7    0    5 o   60.336   11.791  615.643  193.406  615.643  193.406  615.643  193.406   60.336   11.791   60.336   11.791 -0.000000 0.000000 
1 1 1    7    0    6 o  118.372   11.047  2195.69  391.125  2195.69  391.125  2195.69  391.125  118.372   11.047  118.372   11.047 -0.000000 0.000000 
1 1 1    7    0    8 o   32.283   16.009  234.288  190.346  234.288  190.346  234.288  190.346   32.283   16.009   32.283   16.009 0.000000 0.000000 
1 1 1    7    0    9 o   46.724   4.8229  343.749   67.101  343.749   67.101  343.749   67.101   46.724   4.8229   46.724   4.8229 -0.000000 0.000000 
1 1 1    7    0   10 f  373.419   10.507 21346.58  1195.38 21346.58  1195.38 21346.58  1195.38  373.419   10.507  373.419   10.507 -0.000000 0.000000 
1 1 1    7    0   11 o  841.043   22.603 108541.30  5792.80 108541.30  5792.80 108541.30  5792.80  841.043   22.603  841.043   22.603 -0.000000 0.000000 
1 1 1    7    0   12 o  463.769   9.0154 32878.04  1275.07 32878.04  1275.07 32878.04  1275.07  463.769   9.0154  463.769   9.0154 -0.000000 0.000000 
1 1 1    7    0   13 o   91.783   4.4662  1294.88  124.441  1294.88  124.441  1294.88  124.441   91.783   4.4662   91.783   4.4662 -0.000000 0.000000 
1 1 1    7    0   14 o  188.110   5.8026  5416.70  332.443  5416.70  332.443  5416.70  332.443  188.110   5.8026  188.110   5.8026 -0.000000 0.000000 
1 1 1    7    0   15 o   71.867   4.0109  795.637   87.355  795.637   87.355  795.637   87.355   71.867   4.0109   71.867   4.0109 -0.000000 0.000000 
1 1 1    7    0   16 o  167.760   5.3547  4308.87  273.549  4308.87  273.549  4308.87  273.549  167.760   5.3547  167.760   5.3547 0.000000 0.000000 
1 1 1    7    0   17 o  1021.84   17.393 159788.41  5421.10 159788.41  5421.10 159788.41  5421.10  1021.84   17.393  1021.84   17.393 -0.000000 0.000000 
1 1 1    7    0   18 o  138.628   3.7197  2939.43  157.133  2939.43  157.133  2939.43  157.133  138.628   3.7197  138.628   3.7197 -0.000000 0.000000 
1 1 1    7    0   19 o  667.012   15.930 68126.23  3238.94 68126.23  3238.94 68126.23  3238.94  667.012   15.930  667.012   15.930 -0.000000 0.000000 
1 1 1    7    0   20 o  1167.12   24.757 209015.80  8810.25 209015.80  8810.25 209015.80  8810.25  1167.12   24.757  1167.12   24.757 -0.000000 0.000000 
1 1 1    7    0   21 o   11.538   5.6146   29.879   23.230   29.879   23.230   29.879   23.230   11.538   5.6146   11.538   5.6146 -0.000000 0.000000 
1 1 1    7    0   22 o  523.708   14.534 42015.84  2319.19 42015.84  2319.19 42015.84  2319.19  523.708   14.534  523.708   14.534 -0.000000 0.000000 
1 1 1    7    0   23 o  1253.81   27.661 241594.30 10573.95 241594.30 10573.95 241594.30 10573.95  1253.81   27.661  1253.81   27.661 -0.000000 0.000000 
1 1 1    7    0   24 o  830.992   19.770 105872.10  5008.02 105872.10  5008.02 105872.10  5008.02  830.992   19.770  830.992   19.770 0.000000 0.000000 
1 1 1    7    0   25 o   55.745   5.1696  486.460   86.220  486.460   86.220  486.460   86.220   55.745   5.1696   55.745   5.1696 0.000000 0.000000 
1 1 1    7    0   26 o  681.888   28.787 71807.62  5967.00 71807.62  5967.00 71807.62  5967.00  681.888   28.787  681.888   28.787 -0.000000 0.000000 
1 1 1    7    0   27 o  101.739   3.3565  1584.96  103.973  1584.96  103.973  1584.96  103.973  101.739   3.3565  101.739   3.3565 -0.000000 0.000000 
1 1 1    7    0   28 o  384.986   7.4028 22655.56  869.149 22655.56  869.149 22655.56  869.149  384.986   7.4028  384.986   7.4028 -0.000000 0.000000 
1 1 1    7    0   29 f  302.619   7.4731 14009.30  689.309 14009.30  689.309 14009.30  689.309  302.619   7.4731  302.619   7.4731 -0.000000 0.000000 
1 1 1    7    0   30 o   63.477   4.5371  624.438   86.873  624.438   86.873  624.438   86.873   63.477   4.5371   63.477   4.5371 -0.000000 0.000000 
1 1 1    7    0   31 o  210.935   4.7782  6802.71  307.272  6802.71  307.272  6802.71  307.272  210.935   4.7782  210.935   4.7782 -0.000000 0.000000 
1 1 1    7    0   32 o  296.550   7.9160 13462.50  715.354 13462.50  715.354 13462.50  715.354  296.550   7.9160  296.550   7.9160 0.000000 0.000000 
1 1 1    7    0   33 o  372.186   8.9960 21207.73  1020.60 21207.73  1020.60 21207.73  1020.60  372.186   8.9960  372.186   8.9960 -0.000000 0.000000 
1 1 1    7    0   34 o  404.824   7.4754 25064.50  922.959 25064.50  922.959 25064.50  922.959  404.824   7.4754  404.824   7.4754 0.000000 0.000000 
1 1 1    7    0   35 o  589.444   12.828 53298.74  2305.51 53298.74  2305.51 53298.74  2305.51  589.444   12.828  589.444   12.828 -0.000000 0.000000 
1 1 1    7    0   36 o  369.341   6.8464 20863.83  771.206 20863.83  771.206 20863.83  771.206  369.341   6.8464  369.341   6.8464 0.000000 0.000000 
1 1 1    7    0   37 o   88.765   3.1049  1207.18   83.889  1207.18   83.889  1207.18   83.889   88.765   3.1049   88.765   3.1049 -0.000000 0.000000 
1 1 1    7    0   38 o  209.307   4.7169  6700.19  300.995  6700.19  300.995  6700.19  300.995  209.307   4.7169  209.307   4.7169 -0.000000 0.000000 
1 1 1    7    0   39 o   41.243   9.1895  295.586  101.069  295.586  101.069  295.586  101.069   41.243   9.1895   41.243   9.1895 -0.000000 0.000000 
1 1 1    7    0   40 o  426.660   6.8918 27844.16  896.964 27844.16  896.964 27844.16  896.964  426.660   6.8918  426.660   6.8918 -0.000000 0.000000 
1 1 1    7    0   41 o  699.844   12.747 75219.64  2720.77 75219.64  2720.77 75219.64  2720.77  699.844   12.747  699.844   12.747 -0.000000 0.000000 
1 1 1    7    0   42 o   20.676   9.2494   94.477   62.132   94.477   62.132   94.477   62.132   20.676   9.2494   20.676   9.2494 0.000000 0.000000 
1 1 1    7    0   43 o   14.243   8.6005   29.645   68.421   29.645   68.421   29.645   68.421   14.243   8.6005   14.243   8.6005 -0.000000 0.000000 
1 1 1    7    0   44 o  283.720   19.742 12632.47  1690.61 12632.47  1690.61 12632.47  1690.61  283.720   19.742  283.720   19.742 -0.000000 0.000000 
1 1 1    7    0   45 o  176.898   16.698  4949.22  883.108  4949.22  883.108  4949.22  883.108  176.898   16.698  176.898   16.698 -0.000000 0.000000 
1 1 1    7    0   46 o   69.689   5.4674  755.576  114.650  755.576  114.650  755.576  114.650   69.689   5.4674   69.689   5.4674 -0.000000 0.000000 
1 1 1    7    0   47 o  590.671   14.541 53768.79  2617.89 53768.79  2617.89 53768.79  2617.89  590.671   14.541  590.671   14.541 -0.000000 0.000000 
1 1 1    7    0   48 o  171.051   4.0546  4475.57  211.415  4475.57  211.415  4475.57  211.415  171.051   4.0546  171.051   4.0546 -0.000000 0.000000 
1 1 1    7    0   49 o  112.102   3.7395  1925.35  127.628  1925.35  127.628  1925.35  127.628  112.102   3.7395  112.102   3.7395 -0.000000 0.000000 
1 1 1    7    0   50 o  119.093   5.0274  2178.43  182.005  2178.43  182.005  2178.43  182.005  119.093   5.0274  119.093   5.0274 -0.000000 0.000000 
1 1 1    7    0   51 o  155.007   2.9088  3672.16  137.510  3672.16  137.510  3672.16  137.510  155.007   2.9088  155.007   2.9088 -0.000000 0.000000 
1 1 1    7    0   52 o  124.236   3.8988  2364.26  147.513  2364.26  147.513  2364.26  147.513  124.236   3.8988  124.236   3.8988 -0.000000 0.000000 
1 1 1    7    0   53 o  176.018   3.6280  4737.71  194.727  4737.71  194.727  4737.71  194.727  176.018   3.6280  176.018   3.6280 -0.000000 0.000000 
1 1 1    7    0   54 o   17.784   8.1413   70.436   48.207   70.436   48.207   70.436   48.207   17.784   8.1413   17.784   8.1413 0.000000 0.000000 
1 1 1    7    0   55 f  107.721   3.5265  1778.05  115.667  1778.05  115.667  1778.05  115.667  107.721   3.5265  107.721   3.5265 -0.000000 0.000000 
1 1 1    7    0   56 o   66.228   3.2786  674.826   65.905  674.826   65.905  674.826   65.905   66.228   3.2786   66.228   3.2786 0.000000 0.000000 
1 1 1    7    0   57 o  196.796   3.7677  5924.18  226.129  5924.18  226.129  5924.18  226.129  196.796   3.7677  196.796   3.7677 -0.000000 0.000000 
1 1 1    7    0   58 o  113.005   3.4564  1956.66  118.965  1956.66  118.965  1956.66  118.965  113.005   3.4564  113.005   3.4564 0.000000 0.000000 
1 1 1    7    0   59 o  247.324   5.2643  9377.43  396.988  9377.43  396.988  9377.43  396.988  247.324   5.2643  247.324   5.2643 -0.000000 0.000000 
1 1 1    7    0   60 o  113.715   4.6347  1988.74  160.255  1988.74  160.255  1988.74  160.255  113.715   4.6347  113.715   4.6347 -0.000000 0.000000 
1 1 1    7    0   61 o   47.237   3.9996  348.560   56.713  348.560   56.713  348.560   56.713   47.237   3.9996   47.237   3.9996 -0.000000 0.000000 
1 1 1    7    1    0 o  127.344   4.1504  2483.07  160.929  2483.07  160.929  2483.07  160.929  127.344   4.1504  127.344   4.1504 0.000000 0.000000 
1 1 1    7    1    1 f  169.482   3.4845  4384.54  180.251  4563.02  387.724  4335.33  203.590  172.836   7.3497  168.523   3.9580 4.312851 8.347711 
1 1 1    7    1    2 o  590.557   11.011 53332.24  1984.74 57882.08  3752.01 51564.43  2338.75  613.802   20.027  580.430   13.201 33.37140 23.98669 
1 1 1    7    1    3 o  330.243   5.8544 16653.20  590.109 16270.67  869.732 16979.52  803.302  326.315   8.7323  333.386   7.8943 -7.070435 11.77175 
1 1 1    7    1    4 o  167.521   3.4810  4283.61  177.986  4257.86  251.657  4309.38  251.763  167.000   4.9371  168.008   4.9096 -1.007736 6.962696 
1 1 1    7    1    5 o  273.711   11.801 11457.91  985.870 11457.91  985.870   0.0000   0.0000  273.711   11.801  ?   ?  0.000000 11.80077 
1 1 1    7    1    6 o  616.166   25.390 58495.58  4775.07 58495.58  4775.07   0.0000   0.0000  616.166   25.390  ?   ?  0.000000 25.39014 
1 1 1    7    1    7 o  517.543   17.696 41058.34  2795.31 40898.92  3421.61 41378.27  4847.10  515.960   21.727  516.341   30.898 -0.3810425 37.77208 
1 1 1    7    1    8 o  796.485   18.953 97291.51  4607.69 97291.51  4607.69   0.0000   0.0000  796.485   18.953  ?   ?  0.000000 18.95346 
1 1 1    7    1    9 o  206.997   14.724  6590.65  924.210  6590.65  924.210   0.0000   0.0000  206.997   14.724  ?   ?  0.000000 14.72420 
1 1 1    7    1   10 o  1054.03   43.964 173766.20 14143.91 178383.20 20003.36 169149.91 20001.65  1053.42   62.493  1024.19   64.310 29.22876 89.67262 
1 1 1    7    1   11 o  206.110   3.7500  6484.28  235.913  6176.41  408.205  6638.68  289.078  201.120   6.6498  208.541   4.5416 -7.421326 8.052656 
1 1 1    7    1   12 o  226.062   3.9414  7800.56  271.957  7518.64  443.329  7970.66  344.363  221.903   6.5456  228.501   4.9375 -6.598770 8.199003 
1 1 1    7    1   13 o  564.332   7.4503 48634.57  1283.28 49849.34  1814.82 47419.77  1814.85  571.156   10.410  557.045   10.674 14.11090 14.91012 
1 1 1    7    1   14 o  486.734   7.7347 36180.69  1149.09 35962.68  1503.28 36487.10  1782.19  485.142   10.152  488.551   11.952 -3.409882 15.68138 
1 1 1    7    1   15 o  124.482   3.4189  2365.15  129.899  2581.50  458.520  2346.27  135.448  129.425   11.735  123.983   3.5793 5.442139 12.26836 
1 1 1    7    1   16 o  1108.72   15.537 188136.80  5257.75 189837.00  6880.20 185750.00  8151.60  1112.60   20.260  1099.40   24.292 13.20825 31.63223 
1 1 1    7    1   17 o  301.846   5.3362 13909.37  491.627 14032.97  725.265 13804.29  668.704  303.124   7.8390  300.659   7.2869 2.464752 10.70273 
1 1 1    7    1   18 o  190.043   3.1216  5512.42  181.070  5105.70  256.068  5919.17  256.077  182.885   4.5873  196.919   4.2605 -14.03445 6.260658 
1 1 1    7    1   19 o  522.591   12.956 41766.89  2066.50 41764.94  2273.66 41776.12  4955.15  522.462   14.258  519.055   31.425 3.406860 34.50839 
1 1 1    7    1   20 o  485.403   12.305 36028.30  1823.06 37786.96  4370.53 35657.85  2005.90  494.058   29.111  482.795   13.612 11.26282 32.13668 
1 1 1    7    1   21 o  122.515   1.9773  2290.81   73.939  2265.16   87.548  2354.63  138.082  121.826   2.3545  124.202   3.6424 -2.376282 4.337125 
1 1 1    7    1   22 o  366.985   5.1618 20560.90  578.182 20218.52  817.608 20903.38  817.739  363.848   7.3622  369.964   7.2417 -6.115387 10.32684 
1 1 1    7    1   23 o  400.152   5.9203 24448.38  723.081 23930.10  945.552 25178.35  1122.16  395.815   7.8267  405.948   9.0567 -10.13293 11.96995 
1 1 1    7    1   24 o  396.157   7.0026 23967.88  846.731 22901.34  1196.74 25036.98  1198.17  387.093   10.129  404.765   9.6984 -17.67163 14.02343 
1 1 1    7    1   25 o  726.654   13.302 80795.12  2950.36 82185.39  9968.94 80661.66  3088.73  721.508   45.501  725.960   13.940 -4.451721 47.58834 
1 1 1    7    1   26 o  514.319   9.0054 40420.21  1413.69 40624.26  2166.65 40268.94  1865.50  515.182   13.779  513.114   11.911 2.067444 18.21369 
1 1 1    7    1   27 o  220.718   3.6556  7436.34  246.275  7587.80  314.349  7195.64  396.283  222.940   4.6196  217.077   5.9810 5.863312 7.557345 
1 1 1    7    1   28 f  754.147   9.6514 86938.84  2221.60 87436.66  3001.01 86335.26  3304.50  755.795   13.009  750.763   14.421 5.031677 19.42142 
1 1 1    7    1   29 o  269.388   4.9335 11080.22  405.646 10934.55  438.870 11934.47  1062.81  267.599   5.3732  279.224   12.471 -11.62433 13.57885 
1 1 1    7    1   30 o  445.619   6.2194 30330.75  845.914 30142.28  1036.09 30707.54  1464.99  444.136   7.6430  448.005   10.714 -3.868317 13.16040 
1 1 1    7    1   31 o  202.524   3.2540  6261.18  201.144  6131.88  264.989  6436.96  308.972  200.401   4.3322  205.311   4.9305 -4.910385 6.563374 
1 1 1    7    1   32 f  333.137   6.2742 16956.71  637.969 18287.47  2158.71 16829.35  667.797  343.378   20.694  331.863   6.5928 11.51501 21.71855 
1 1 1    7    1   33 o  280.498   5.1392 12018.30  439.989 12106.05  648.823 11943.58  598.675  281.371   7.5549  279.514   7.0173 1.856598 10.31114 
1 1 1    7    1   34 o  111.633   2.3435  1902.24   79.849  1919.29  112.058  1884.66  113.810  112.120   3.2745  111.103   3.3561 1.017197 4.688889 
1 1 1    7    1   35 o   89.461   1.7700  1221.56   48.331  1198.64   64.674  1250.54   72.736   88.613   2.3912   90.508   2.6330 -1.895477 3.556717 
1 1 1    7    1   36 o  307.840   6.2522 14489.36  587.453 14670.42  1064.95 14410.17  704.303  309.107   11.288  306.870   7.5195 2.236908 13.56292 
1 1 1    7    1   37 o  262.378   4.1766 10515.43  334.476 10259.77  536.745 10677.75  427.666  258.980   6.7902  264.324   5.3009 -5.343384 8.614339 
1 1 1    7    1   38 o  349.174   5.1526 18633.38  549.148 18639.77  723.768 18624.72  843.027  349.050   6.7935  348.754   7.9196 0.2960510 10.43420 
1 1 1    7    1   39 o  389.042   4.6699 23126.98  554.524 22810.45  869.614 23343.88  719.870  386.012   7.3809  390.699   6.0366 -4.687531 9.535111 
1 1 1    7    1   40 f  127.654   2.5713  2487.85  100.185  2503.66  140.348  2471.43  143.055  128.034   3.5914  127.205   3.6845 0.8294144 5.145283 
1 1 1    7    1   41 o  330.429   4.1146 16680.37  414.980 16910.64  539.187 16345.79  649.953  332.583   5.3116  326.835   6.5153 5.748108 8.406075 
1 1 1    7    1   42 o  217.106   3.7448  7199.97  248.154  7274.99  373.054  7140.44  332.348  218.109   5.6038  216.126   5.0381 1.983612 7.535592 
1 1 1    7    1   43 o  222.888   3.1088  7586.55  211.492  7623.37  236.514  7439.62  472.446  223.410   3.4685  220.422   7.0223 2.987839 7.832178 
1 1 1    7    1   44 o   90.847   3.7553  1260.77  104.130  1298.69  138.417  1211.34  158.052   92.038   4.9454   88.794   5.8648 3.244286 7.671572 
1 1 1    7    1   45 o  121.323   3.7098  2248.52  137.375  2217.82  646.940  2249.97  140.581  117.791   18.613  121.360   3.7952 -3.568230 18.99556 
1 1 1    7    1   46 o  241.425   4.5297  8908.12  333.785  9143.71  492.644  8708.20  453.828  244.396   6.6042  238.545   6.2331 5.850922 9.081134 
1 1 1    7    1   47 f   74.213   3.1384  841.123   71.090  810.744   89.699  892.438  116.578   72.730   4.0568   76.235   5.0385 -3.504456 6.468750 
1 1 1    7    1   48 o  206.999   4.0755  6547.39  257.491  6091.17  634.583  6637.31  281.726  198.688   10.501  208.392   4.4292 -9.704224 11.39719 
1 1 1    7    1   49 o  284.548   4.0213 12372.41  349.253 12236.25  495.596 12506.75  492.258  282.791   5.7418  285.913   5.6408 -3.121582 8.049019 
1 1 1    7    1   50 f  212.322   3.1001  6885.38  200.904  6804.68  279.128  6972.12  289.392  210.993   4.3343  213.565   4.4395 -2.571793 6.204483 
1 1 1    7    1   51 o  185.514   2.5098  5255.18  142.114  5209.44  242.040  5279.24  175.563  184.605   4.2956  185.911   3.0939 -1.306534 5.293843 
1 1 1    7    1   52 o  296.288   4.0397 13418.47  365.329 13142.23  529.243 13669.91  504.922  292.957   5.9188  298.844   5.5356 -5.886871 8.103992 
1 1 1    7    1   53 o   92.881   2.3219  1317.31   65.826  1237.21   94.144  1393.94   92.074   89.982   3.4278   95.521   3.1581 -5.538750 4.660829 
1 1 1    7    1   54 o  167.288   2.8527  4274.90  145.661  4147.47  194.752  4436.69  219.442  164.710   3.8739  170.328   4.2210 -5.618439 5.729197 
1 1 1    7    1   55 o  157.275   2.8221  3778.80  135.471  3772.46  161.332  3793.97  249.462  157.109   3.3644  157.398   5.1926 -0.2890320 6.187259 
1 1 1    7    1   56 o  217.762   3.2751  7248.12  217.685  6877.39  308.603  7615.27  307.109  211.935   4.7707  223.054   4.5109 -11.11848 6.565661 
1 1 1    7    1   57 o  154.728   2.6898  3657.97  127.031  3751.90  186.252  3576.27  173.702  156.599   3.8967  152.907   3.7219 3.692535 5.388542 
1 1 1    7    1   58 o   18.359   5.6221   51.784   34.465   96.925   99.725   45.661   36.728   26.929   9.6087   17.684   5.8486 9.245005 11.24868 
1 1 1    7    1   59 o   59.300   3.5795  540.100   64.485  797.667  555.396  536.581   64.924   68.876   22.742   59.102   3.6165 9.774857 23.02737 
1 1 1    7    1   60 o  216.418   3.6690  7171.68  242.356  7773.82  402.963  6830.43  303.353  224.736   5.8746  210.979   4.7108 13.75737 7.530073 
1 1 1    7    1   61 o   66.583   7.3171  694.483  146.249  699.186  198.477  688.897  216.330   66.044   10.173   65.208   11.277 0.8358307 15.18745 
1 1 1    7    2    0 o  520.167   17.897 41550.09  2833.78 41550.09  2833.78 41550.09  2833.78  520.167   17.897  520.167   17.897 0.000000 0.000000 
1 1 1    7    2    1 o  143.729   2.9201  3153.10  128.105  3036.09  166.809  3321.33  200.014  141.030   3.8752  147.500   4.4427 -6.470413 5.895331 
1 1 1    7    2    2 o  338.949   6.1438 17543.63  635.603 19547.44  1589.30 17162.12  693.475  357.283   14.574  335.221   6.7777 22.06152 16.07287 
1 1 1    7    2    3 o  643.203   11.914 63278.05  2338.98 62986.04  3159.90 63631.95  3478.66  641.118   16.148  644.132   17.694 -3.014465 23.95467 
1 1 1    7    2    4 o  667.833   12.073 68216.69  2460.99 68136.95  3324.68 68313.34  3660.20  666.826   16.335  667.403   17.968 -0.5775757 24.28337 
1 1 1    7    2    5 o  1107.96   32.091 190203.09 10852.20 182315.20 12530.78 213870.80 21705.72  1081.50   37.961  1150.02   62.067 -68.51892 72.75571 
1 1 1    7    2    6 o  786.476   22.089 95051.63  5302.41 93762.09  6121.46 98926.53 10611.22  780.171   25.707  793.159   44.004 -12.98834 50.96294 
1 1 1    7    2    7 o  706.589   15.442 76446.07  3330.40 76446.07  3330.40   0.0000   0.0000  706.589   15.442  ?   ?  0.000000 15.44233 
1 1 1    7    2    8 o  342.186   9.7043 17892.04  1013.55 17892.04  1013.55   0.0000   0.0000  342.186   9.7043  ?   ?  0.000000 9.704298 
1 1 1    7    2    9 o  577.071   34.758 51799.21  6093.50 51799.21  6093.50   0.0000   0.0000  577.071   34.758  ?   ?  0.000000 34.75774 
1 1 1    7    2   10 o  938.116   17.686 134838.41  5064.04 129671.30  7161.38 140006.30  7161.88  917.999   25.559  954.172   24.591 -36.17230 35.46802 
1 1 1    7    2   11 o  427.406   10.344 27915.34  1349.42 26662.94  1608.36 30892.98  2479.98  417.574   12.619  449.013   18.096 -31.43900 22.06113 
1 1 1    7    2   12 o  890.477   20.276 121613.60  5510.77 123217.90 14279.16 121332.80  5973.55  882.115   53.285  889.056   22.013 -6.940552 57.65294 
1 1 1    7    2   13 o  861.628   12.260 113502.00  3224.26 114319.80  4011.38 112009.10  5419.59  864.312   15.206  854.516   20.779 9.796021 25.74858 
1 1 1    7    2   14 o  133.923   3.1478  2737.48  128.670  3205.22  473.736  2700.23  133.696  144.418   10.826  133.008   3.2932 11.40984 11.31583 
1 1 1    7    2   15 o   48.180   2.5501  355.279   37.367  377.623   47.133  317.472   61.311   49.642   3.1267   45.383   4.4848 4.258953 5.467148 
1 1 1    7    2   16 o  489.279   6.7719 36554.23  1011.31 36212.04  1296.28 37086.44  1616.59  486.895   8.7226  492.623   10.751 -5.727295 13.84479 
1 1 1    7    2   17 o  698.793   11.554 74643.07  2464.28 76440.05  3485.05 72846.16  3484.99  706.607   16.159  689.742   16.554 16.86487 23.13312 
1 1 1    7    2   18 f  298.674   4.9771 13618.05  453.725 12965.46  813.067 13913.18  546.780  291.323   9.1440  301.873   5.9343 -10.55042 10.90085 
1 1 1    7    2   19 o  734.668   12.788 82541.90  2867.64 82064.43  4465.40 82877.01  3740.99  731.440   20.002  735.624   16.661 -4.184326 26.03208 
1 1 1    7    2   20 o  445.784   10.037 30367.47  1365.65 29659.06  1745.98 31483.83  2191.80  440.358   12.990  453.460   15.836 -13.10156 20.48228 
1 1 1    7    2   21 o  688.395   10.147 72420.56  2132.08 71732.23  2812.16 73351.13  3269.75  684.757   13.455  692.170   15.477 -7.412842 20.50792 
1 1 1    7    2   22 o  519.601   10.706 41267.86  1697.92 41229.84  3752.15 41277.65  1904.02  517.764   23.743  519.557   12.007 -1.792542 26.60596 
1 1 1    7    2   23 o  307.096   7.4408 14403.79  697.446 14040.81  1972.97 14455.63  745.586  301.572   21.577  307.632   7.9405 -6.059601 22.99170 
1 1 1    7    2   24 o  760.195   10.928 88347.09  2535.58 89481.67  4052.25 87617.02  3250.55  764.048   17.376  756.615   14.076 7.433044 22.36198 
1 1 1    7    2   25 o   98.310   2.3592  1475.10   70.793  1459.61  132.097  1481.34   83.851   97.783   4.4260   98.516   2.7886 -0.7338257 5.231242 
1 1 1    7    2   26 o  575.513   8.5744 50605.69  1506.18 50699.41  1897.41 50446.04  2476.57  575.852   10.795  574.037   14.135 1.815247 17.78580 
1 1 1    7    2   27 o  429.838   7.2841 28221.60  955.644 27885.45  1261.77 28673.86  1463.54  427.126   9.6785  433.018   11.073 -5.891632 14.70690 
1 1 1    7    2   28 o  177.276   3.3650  4797.08  182.074  4771.19  216.904  4858.85  335.014  176.790   4.0197  178.371   6.1535 -1.581741 7.350056 
1 1 1    7    2   29 o  227.735   3.1553  7916.52  219.327  7843.75  279.972  8032.12  352.880  226.672   4.0467  229.357   5.0408 -2.685089 6.464144 
1 1 1    7    2   30 o  573.422   8.2559 50257.70  1444.96 49291.64  1820.66 51901.76  2375.11  567.614   10.509  582.001   13.370 -14.38733 17.00600 
1 1 1    7    2   31 o   41.992   2.4590  270.067   31.380  276.395   61.222  267.812   36.545   42.269   4.8322   41.787   2.8829 0.4819641 5.626815 
1 1 1    7    2   32 o  337.133   5.2447 17360.24  539.680 16538.04  908.540 17808.54  670.862  328.778   9.0536  341.385   6.4383 -12.60687 11.10947 
1 1 1    7    2   33 o  130.199   3.3620  2588.09  133.607  2693.44  197.076  2498.48  181.751  132.794   4.8623  127.902   4.6557 4.891716 6.731773 
1 1 1    7    2   34 o  337.590   4.6942 17408.22  483.694 17155.80  720.078 17615.76  652.935  334.947   7.0435  339.475   6.3015 -4.528351 9.450894 
1 1 1    7    2   35 o  643.528   8.1774 63390.35  1606.20 62602.44  2271.71 64177.97  2271.31  638.531   11.656  646.565   11.509 -8.034180 16.38070 
1 1 1    7    2   36 o  516.910   6.9117 40871.36  1090.48 42058.07  1923.98 40309.72  1323.60  523.133   12.050  513.054   8.4524 10.07977 14.71851 
1 1 1    7    2   37 o  249.719   4.7639  9527.91  363.109  9717.11  536.199  9367.65  493.483  252.019   6.9707  247.484   6.5329 4.535706 9.553514 
1 1 1    7    2   38 o  321.674   4.4176 15808.11  433.732 16514.18  786.181 15499.17  520.034  328.405   7.8433  318.436   5.3505 9.968384 9.494423 
1 1 1    7    2   39 o  368.012   4.5309 20693.02  508.935 20884.26  995.149 20625.28  592.245  369.100   8.8334  367.332   5.2823 1.768524 10.29231 
1 1 1    7    2   40 f  276.909   4.2916 11715.11  362.721 11925.34  598.220 11592.88  456.133  279.122   7.0218  275.369   5.4270 3.753174 8.874578 
1 1 1    7    2   41 o  494.092   6.7015 37362.95  1010.64 37474.05  1394.02 37239.86  1467.33  494.192   9.2418  492.492   9.7614 1.700287 13.44230 
1 1 1    7    2   42 o  140.383   2.8925  3009.24  123.939  3055.10  172.008  2959.71  178.739  141.413   3.9851  139.180   4.2075 2.233536 5.795195 
1 1 1    7    2   43 o  109.382   2.9733  1827.00   99.266  1811.09  121.714  1858.59  171.544  108.888   3.6622  110.259   5.0974 -1.371307 6.276537 
1 1 1    7    2   44 o  186.047   2.9966  5285.73  170.162  5210.83  240.008  5361.42  241.287  184.665   4.2582  187.317   4.2203 -2.651306 5.995228 
1 1 1    7    2   45 o  334.297   4.2620 17076.93  434.877 16936.55  906.162 17118.93  495.690  332.198   8.9370  334.645   4.8530 -2.446198 10.16962 
1 1 1    7    2   46 o  208.861   3.6629  6663.74  233.509  7051.58  400.203  6463.54  287.527  214.671   6.1079  205.644   4.5808 9.026230 7.634799 
1 1 1    7    2   47 o  265.877   4.4856 10804.05  364.015 11017.37  447.911 10389.09  624.715  268.393   5.4677  260.326   7.8623 8.067596 9.576574 
1 1 1    7    2   48 o  171.182   3.9581  4477.32  206.806  4311.70  305.148  4618.02  281.248  167.860   5.9559  173.769   5.3027 -5.908707 7.974432 
1 1 1    7    2   49 o  185.451   3.9836  5255.24  225.487  5500.01  304.191  4956.71  335.942  189.632   5.2555  179.952   6.1163 9.679550 8.064125 
1 1 1    7    2   50 o  185.961   3.0381  5281.64  172.442  5237.24  253.001  5320.16  235.661  185.093   4.4783  186.576   4.1382 -1.482513 6.097569 
1 1 1    7    2   51 o  321.042   4.3690 15756.55  428.112 17073.78  779.255 15187.11  512.361  333.597   7.6532  315.055   5.3281 18.54196 9.325212 
1 1 1    7    2   52 o  124.098   2.6150  2351.82   99.048  2466.36  137.789  2229.34  142.479  127.048   3.5533  120.775   3.8651 6.272591 5.250202 
1 1 1    7    2   53 o  162.703   2.8582  4043.50  141.940  4025.18  196.476  4063.49  205.280  162.269   3.9670  163.028   4.1254 -0.7592926 5.723270 
1 1 1    7    2   54 o  209.501   3.3943  6707.26  217.045  6923.38  247.232  5980.83  453.266  212.812   3.8062  197.309   7.5264 15.50313 8.434125 
1 1 1    7    2   55 o  113.843   3.3602  1980.79  116.758  1946.14  138.784  2064.70  215.989  112.806   4.0308  115.871   6.1290 -3.065002 7.335626 
1 1 1    7    2   56 o   86.071   2.3993  1131.53   63.033  1166.90  115.151  1116.40   75.319   87.323   4.3204   85.477   2.8869 1.845764 5.196158 
1 1 1    7    2   57 o  109.858   2.8539  1844.36   95.696  1845.15  384.835  1844.31   98.799  108.091   11.859  109.852   2.9466 -1.760811 12.21996 
1 1 1    7    2   58 o  219.320   5.8837  7389.83  393.861   0.0000   0.0000  7389.83  393.861  ?   ?   219.320   5.8837 0.000000 5.883672 
1 1 1    7    2   59 o  247.009   3.5139  9336.80  264.924  9216.26  472.632  9392.03  319.904  244.661   6.3291  247.586   4.2333 -2.924622 7.614329 
1 1 1    7    2   60 o  133.387   4.3819  2728.36  178.399  2724.57  478.484  2728.97  192.262  130.723   12.130  133.350   4.7237 -2.626770 13.01771 
1 1 1    7    2   61 o  198.202   3.5908  6016.88  217.227  5893.71  275.364  6219.84  353.472  195.935   4.6044  200.946   5.7631 -5.011383 7.376616 
1 1 1    7    3    0 o  559.195   14.191 47888.85  2418.51 47888.85  2418.51 47888.85  2418.51  559.195   14.191  559.195   14.191 -0.000000 0.000000 
1 1 1    7    3    1 o  630.725   18.478 61024.83  3557.20 62581.00  5030.64 59468.66  5030.65  637.145   25.868  620.935   26.544 16.21033 37.06391 
1 1 1    7    3    2 o  330.143   6.3657 16643.94  641.459 16550.07  866.641 16757.67  953.952  329.128   8.6270  331.149   9.4381 -2.021454 12.78682 
1 1 1    7    3    3 o  230.263   5.8674  8095.71  412.373  8126.21  759.790  8082.98  490.980  230.558   10.797  230.058   6.9921 0.5003967 12.86318 
1 1 1    7    3    4 o  569.268   12.277 49562.69  2133.22 48518.23  2286.35 56585.52  5928.63  563.133   13.302  603.616   32.296 -40.48309 34.92843 
1 1 1    7    3    5 o  261.582   4.1289 10444.93  329.656 10190.34  410.112 10909.78  554.163  258.356   5.2008  267.284   6.7928 -8.928558 8.555094 
1 1 1    7    3    6 o  248.814   5.6704  9452.10  430.633  9351.55  461.594 10127.09  1195.98  247.479   6.1109  256.736   15.332 -9.257385 16.50530 
1 1 1    7    3    7 o  165.178   9.2135  4181.45  462.657  4181.45  462.657   0.0000   0.0000  165.178   9.2135  ?   ?  0.000000 9.213502 
1 1 1    7    3    8 o  669.458   12.237 68529.71  2500.33 67573.24  3378.15 69688.48  3718.29  664.219   16.663  674.322   18.066 -10.10297 24.57699 
1 1 1    7    3    9 o  547.164   7.9761 45726.86  1332.06 44354.26  1604.74 48768.25  2388.73  538.781   9.7583  564.609   13.861 -25.82733 16.95169 
1 1 1    7    3   10 o  982.318   20.946 148063.59  6280.08 145744.59  6807.03 161325.50 16278.51  974.081   22.895  1009.45   53.019 -35.37219 57.75158 
1 1 1    7    3   11 o  413.199   11.481 26097.59  1447.91   0.0000   0.0000 26097.59  1447.91  ?   ?   413.199   11.481 0.000000 11.48064 
1 1 1    7    3   12 o  359.656   7.1501 19752.79  784.904 19119.62  1109.47 20387.20  1110.57  353.730   10.276  365.282   9.9609 -11.55145 14.31149 
1 1 1    7    3   13 o  601.349   12.982 55297.48  2382.71 52112.62  6165.23 55856.71  2583.44  579.148   35.042  604.283   14.007 -25.13477 37.73789 
1 1 1    7    3   14 o  451.975   6.1291 31189.53  845.534 30580.83  1083.62 32136.99  1351.94  447.476   7.9340  458.637   9.6576 -11.16177 12.49871 
1 1 1    7    3   15 o  385.436   6.2657 22682.72  737.125 22239.77  835.301 24241.78  1567.10  381.627   7.1711  398.161   12.895 -16.53470 14.75482 
1 1 1    7    3   16 o  840.728   13.468 108105.80  3455.89 107668.80  3772.72 110384.70  8615.44  838.846   14.735  844.794   33.413 -5.947998 36.51742 
1 1 1    7    3   17 o  385.210   11.410 22681.89  1341.52 22157.11  1894.22 23209.99  1900.20  380.409   16.314  389.367   15.989 -8.958496 22.84291 
1 1 1    7    3   18 o  219.099   4.1406  7327.58  276.896  7260.14  696.128  7340.25  301.798  217.961   10.464  219.284   4.5091 -1.322662 11.39410 
1 1 1    7    3   19 o  539.489   9.2999 44466.95  1531.35 43949.02  2258.15 44907.94  2083.68  535.977   13.804  541.904   12.598 -5.927002 18.68794 
1 1 1    7    3   20 o  193.280   4.2877  5702.50  252.945  5682.91  357.845  5722.06  357.593  192.924   6.0771  193.587   6.0519 -0.6637421 8.576510 
1 1 1    7    3   21 o  476.470   7.2869 34671.48  1059.74 33617.93  1386.36 36152.36  1643.66  469.046   9.6838  486.310   11.073 -17.26395 14.71044 
1 1 1    7    3   22 o  513.390   8.1181 40260.73  1272.09 39606.46  1429.24 42754.78  2790.48  509.135   9.1972  528.192   17.309 -19.05682 19.60070 
1 1 1    7    3   23 o  307.649   4.7957 14449.08  450.322 14379.13  560.282 14576.74  756.871  306.875   5.9817  308.913   8.0273 -2.037933 10.01093 
1 1 1    7    3   24 o   50.750   3.9439  395.522   60.612  367.735   97.719  412.896   77.272   48.604   6.7709   51.769   4.9506 -3.164684 8.387740 
1 1 1    7    3   25 o  397.975   7.5465 24192.27  916.683 23940.99  999.394 25524.64  2301.26  395.868   8.2712  407.901   18.484 -12.03336 20.25012 
1 1 1    7    3   26 o  215.454   3.7431  7085.90  246.150  6710.64  395.420  7323.32  314.522  209.631   6.1800  219.020   4.7049 -9.388763 7.767119 
1 1 1    7    3   27 o   55.602   3.2518  473.508   54.945  488.649   81.245  460.745   74.590   56.373   4.7664   54.751   4.5033 1.621799 6.557354 
1 1 1    7    3   28 f  470.378   5.5276 33785.33  793.604 34027.32  1050.98 33464.29  1210.51  471.960   7.2958  467.958   8.4751 4.001923 11.18279 
1 1 1    7    3   29 o  581.688   7.9867 51705.86  1418.00 52605.23  1916.29 50617.42  2108.12  586.418   10.706  575.055   12.011 11.36206 16.08975 
1 1 1    7    3   30 o  529.425   7.8400 42837.98  1266.88 43216.42  1595.71 42192.71  2083.66  531.537   9.8357  524.753   13.009 6.783203 16.30897 
1 1 1    7    3   31 o  560.727   7.6151 48060.21  1303.30 46648.24  1842.82 49473.14  1843.45  551.959   10.939  568.479   10.624 -16.52014 15.24885 
1 1 1    7    3   32 o  476.265   9.7179 34722.09  1412.66 37226.54  2544.45 33606.14  1698.48  491.618   16.957  468.197   11.885 23.42142 20.70754 
1 1 1    7    3   33 o   45.701   8.8609  330.565  119.138  514.366  374.432  309.861  125.669   58.299   18.631   44.135   9.6019 14.16413 20.95953 
1 1 1    7    3   34 o  486.531   6.1274 36181.79  909.915 36162.98  1317.64 36198.94  1258.05  485.985   8.8830  486.298   8.4758 -0.3132324 12.27785 
1 1 1    7    3   35 o  457.294   8.1567 32011.48  1138.48 30846.23  1773.50 32828.25  1484.80  447.850   12.974  462.624   10.515 -14.77460 16.70038 
1 1 1    7    3   36 o  170.352   3.6259  4431.64  188.532  4562.90  277.951  4319.79  256.579  172.795   5.2701  168.140   4.9996 4.654633 7.264303 
1 1 1    7    3   37 o  191.967   3.9675  5628.54  232.465  5548.36  344.173  5695.81  315.240  190.499   5.9193  193.046   5.3501 -2.547028 7.978823 
1 1 1    7    3   38 o  214.468   2.8744  7022.79  188.157  7237.25  288.195  6863.46  248.405  217.654   4.3381  211.983   3.8392 5.671295 5.793001 
1 1 1    7    3   39 o  125.867   2.8090  2418.87  107.914  2502.29  122.909  2138.23  225.448  128.012   3.1457  118.066   6.2787 9.945625 7.022609 
1 1 1    7    3   40 o  208.175   3.2687  6618.05  207.695  6558.38  245.582  6767.94  389.221  207.207   3.8831  210.351   6.0623 -3.144745 7.199249 
1 1 1    7    3   41 o  188.833   4.9064  5450.24  282.785  5493.97  562.875  5435.48  327.056  188.904   9.7959  188.527   5.6837 0.3767548 11.32541 
1 1 1    7    3   42 o  124.146   2.6337  2353.16   99.795  2427.94  117.496  2159.52  189.064  126.093   3.0529  118.848   5.2120 7.244949 6.040271 
1 1 1    7    3   43 o  219.612   3.9078  7368.09  261.940  7549.34  410.097  7243.19  340.432  222.134   6.0486  217.661   5.1243 4.473572 7.927414 
1 1 1    7    3   44 o  106.895   2.9808  1744.91   97.253  1765.81  163.094  1733.38  121.147  107.474   4.9719  106.523   3.7261 0.9511108 6.213149 
1 1 1    7    3   45 o  197.191   2.9025  5937.74  174.694  5934.49  274.190  5939.96  226.653  197.051   4.5589  197.188   3.7659 -0.1368103 5.913113 
1 1 1    7    3   46 o  258.024   4.1115 10172.62  323.797 10481.02  521.321  9978.92  413.151  261.665   6.5274  255.453   5.2988 6.211700 8.407445 
1 1 1    7    3   47 o  106.148   3.4652  1721.06  112.267  1676.39  179.026  1750.02  144.129  104.535   5.6317  107.008   4.4128 -2.472847 7.154674 
1 1 1    7    3   48 o  197.109   3.5524  5934.99  213.722  6113.70  271.615  5644.47  346.312  200.000   4.4495  192.061   5.9076 7.939240 7.395792 
1 1 1    7    3   49 o  127.829   2.8463  2495.35  111.051  2510.41  129.521  2453.57  215.775  128.200   3.3101  126.637   5.5824 1.562538 6.490006 
1 1 1    7    3   50 o  143.186   2.8737  3131.10  125.593  3273.46  180.627  2997.86  174.749  146.354   4.0435  140.056   4.0879 6.298401 5.749850 
1 1 1    7    3   51 f  137.825   2.6970  2900.91  113.454  2914.74  162.038  2887.62  158.904  138.105   3.8441  137.464   3.7873 0.6412201 5.396325 
1 1 1    7    3   52 o   99.809   2.5889  1521.30   78.869  1561.77  107.464  1474.06  116.112  101.101   3.4825   98.206   3.8736 2.894196 5.208937 
1 1 1    7    3   53 f  160.259   2.6576  3922.53  129.994  3998.63  168.410  3810.36  204.473  161.766   3.4109  157.857   4.2438 3.908905 5.444601 
1 1 1    7    3   54 o  240.962   4.1462  8879.29  304.938  9028.52  361.616  8511.97  567.331  242.882   4.8779  235.290   7.8998 7.592773 9.284454 
1 1 1    7    3   55 o   32.710   6.6392  170.139   64.020  179.474   88.117  159.703   93.169   33.497   8.5805   31.806   9.1231 1.691046 12.52422 
1 1 1    7    3   56 o  168.380   3.2126  4333.55  165.108  4417.42  281.328  4289.48  203.921  169.758   5.4296  167.452   3.9898 2.306244 6.737882 
1 1 1    7    3   57 f  151.509   3.5616  3510.83  164.703  3876.71  466.327  3458.69  176.049  157.819   9.7283  150.354   3.8362 7.465118 10.45736 
1 1 1    7    3   58 o  154.316   3.0994  3641.12  145.984  3334.89  576.288  3662.12  150.906  144.818   13.182  154.751   3.1949 -9.933334 13.56360 
1 1 1    7    3   59 o  119.136   3.9390  2173.71  143.236  2055.88  326.647  2201.76  159.376  114.554   9.4259  119.856   4.3566 -5.301979 10.38401 
1 1 1    7    3   60 o  112.863   3.0898  1948.74  106.438  1826.97  180.531  2013.61  131.777  109.003   5.4262  114.659   3.7654 -5.655380 6.604719 
1 1 1    7    3   61 o  166.122   3.3138  4224.79  168.022  4169.24  212.213  4318.12  275.073  164.867   4.2172  167.519   5.3798 -2.651993 6.835705 
1 1 1    7    4    0 o  202.595   5.9699  6281.81  368.436  6281.81  368.436  6281.81  368.436  202.595   5.9699  202.595   5.9699 0.000000 0.000000 
1 1 1    7    4    1 o  349.578   5.6144 18658.11  599.049 18624.23  759.048 18714.06  975.455  349.214   7.1213  349.975   9.1317 -0.7612305 11.58023 
1 1 1    7    4    2 o  385.374   7.3058 22681.62  859.348 23105.50  1121.98 22080.06  1336.60  388.862   9.4531  380.020   11.523 8.841248 14.90460 
1 1 1    7    4    3 o  387.865   7.3625 22975.78  871.616 22786.28  912.324 24958.18  2950.83  386.247   7.7387  402.092   24.156 -15.84467 25.36506 
1 1 1    7    4    4 o  297.855   5.7864 13545.46  526.057 13415.76  550.541 14907.11  1783.85  296.419   6.0851  311.226   18.868 -14.80771 19.82480 
1 1 1    7    4    5 o  1195.08   30.038 220572.80 10956.85 220412.09 14146.11 220813.70 17322.71  1189.86   38.951  1184.98   47.895 4.885376 61.73425 
1 1 1    7    4    6 o  775.052   14.627 91930.74  3460.28 91100.98  3639.40 99743.35 11167.38  771.421   15.457  796.213   46.150 -24.79236 48.66968 
1 1 1    7    4    7 o  541.240   13.684 44813.33  2260.64 44813.33  2260.64   0.0000   0.0000  541.240   13.684  ?   ?  0.000000 13.68434 
1 1 1    7    4    8 o  358.911   5.4901 19666.40  601.430 19383.25  747.656 20185.59  1012.40  356.280   6.8753  363.497   9.1251 -7.217224 11.42528 
1 1 1    7    4    9 o  509.957   12.332 39762.01  1919.53 44202.14  4976.66 38986.01  2080.51  534.242   30.648  504.862   13.501 29.37967 33.49023 
1 1 1    7    4   10 o  864.513   21.430 114693.30  5654.76 113289.60  6225.26 121315.80 13521.83  858.665   23.753  876.697   50.749 -18.03247 56.03296 
1 1 1    7    4   11 o  257.737   7.7432 10144.96  609.139   0.0000   0.0000 10144.96  609.139  ?   ?   257.737   7.7432 0.000000 7.743247 
1 1 1    7    4   12 o  996.694   26.730 152888.91  8131.65   0.0000   0.0000 152888.91  8131.65  ?   ?   996.694   26.730 0.000000 26.73006 
1 1 1    7    4   13 o  449.375   19.176 30952.43  2630.12 30862.05  3715.69 31043.17  3723.44  446.897   27.372  448.216   27.348 -1.319244 38.69302 
1 1 1    7    4   14 o  534.681   9.1598 43672.88  1494.85 44509.05  2327.69 43085.96  1950.14  539.403   14.138  530.884   12.035 8.519226 18.56696 
1 1 1    7    4   15 f  507.058   6.5609 39258.07  1015.40 39882.76  1473.67 38693.42  1401.06  510.934   9.4497  503.277   9.1208 7.657379 13.13339 
1 1 1    7    4   16 o   92.539   3.2619  1307.07   92.134  1234.29  345.041  1312.66   95.605   88.889   13.111   92.737   3.3776 -3.847107 13.53928 
1 1 1    7    4   17 f  632.712   13.757 61239.72  2656.67 63574.61  5216.48 60422.04  3087.00  642.571   26.597  628.197   16.100 14.37354 31.09067 
1 1 1    7    4   18 o  113.608   5.1671  1970.41  179.174  1748.29  261.699  2166.41  245.827  106.680   8.0976  118.915   6.8011 -12.23544 10.57477 
1 1 1    7    4   19 o  547.405   9.9516 45790.18  1662.71 45984.57  1999.55 45354.54  2993.39  548.408   11.946  543.985   18.028 4.422852 21.62698 
1 1 1    7    4   20 o  314.340   5.6866 15086.04  545.589 14833.18  771.984 15338.36  771.175  311.624   8.1164  316.891   7.9731 -5.266998 11.37740 
1 1 1    7    4   21 o  485.923   7.6307 36063.92  1131.75 35869.32  1434.63 36384.58  1841.60  484.490   9.7015  487.758   12.370 -3.268463 15.72067 
1 1 1    7    4   22 o  307.204   5.3083 14408.35  497.737 14570.09  619.718 14114.38  835.474  308.890   6.5731  303.939   9.0059 4.950928 11.14958 
1 1 1    7    4   23 o  744.992   15.328 84992.38  3485.50 84128.20  3970.94 87892.79  7274.82  740.799   17.562  753.405   31.636 -12.60638 36.18343 
1 1 1    7    4   24 o  234.126   4.6444  8368.08  331.894  8408.08  506.986  8338.08  439.048  234.634   7.0793  233.677   6.1557 0.9571838 9.381311 
1 1 1    7    4   25 o  269.626   4.7854 11098.57  393.817 10994.65  441.175 11506.14  873.717  268.348   5.3864  274.347   10.434 -5.999084 11.74234 
1 1 1    7    4   26 o  746.848   11.015 85295.41  2510.86 86152.02  3075.37 83582.89  4348.39  750.221   13.430  737.775   19.310 12.44623 23.52151 
1 1 1    7    4   27 o  199.838   3.6096  6096.01  220.171  6588.78  349.125  5770.62  283.697  207.726   5.5065  194.415   4.7809 13.31152 7.292323 
1 1 1    7    4   28 o  244.695   3.9429  9140.47  294.480  8894.84  465.060  9304.88  380.475  241.327   6.3137  246.861   5.0496 -5.534515 8.084647 
1 1 1    7    4   29 o  588.038   8.1702 52848.84  1466.41 53296.86  2310.70 52546.73  1897.46  589.890   12.834  586.060   10.608 3.830200 16.65011 
1 1 1    7    4   30 o  344.393   6.2379 18118.71  655.710 18056.52  864.980 18202.73  1005.41  343.675   8.2460  344.962   9.5490 -1.286865 12.61659 
1 1 1    7    4   31 o  548.312   10.433 46030.10  1746.02 46356.34  2357.90 45634.04  2598.02  549.531   14.058  544.860   15.622 4.670898 21.01603 
1 1 1    7    4   32 o  327.110   6.5449 16353.57  653.450 15863.46  973.678 16755.22  881.430  321.866   9.9111  330.914   8.7268 -9.048065 13.20561 
1 1 1    7    4   33 o   37.919   4.6202  222.867   52.367  240.598   59.608  162.901  109.619   39.360   5.0803   32.633   10.032 6.726982 11.24515 
1 1 1    7    4   34 o  156.037   2.5452  3716.76  121.216  3558.89  196.651  3813.50  153.939  152.649   4.2207  158.042   3.1912 -5.392502 5.291343 
1 1 1    7    4   35 o  377.678   5.9236 21804.81  682.850 22080.18  2695.62 21785.93  705.873  374.722   23.690  377.492   6.1263 -2.769745 24.46978 
1 1 1    7    4   36 o  136.702   2.7697  2853.04  115.566  2959.29  189.074  2789.67  146.017  139.182   4.4507  135.159   3.5395 4.022766 5.686560 
1 1 1    7    4   37 o  167.290   3.1099  4273.21  158.795  4299.68  204.902  4233.39  251.264  167.779   4.0012  166.443   4.9459 1.335922 6.361723 
1 1 1    7    4   38 o  133.014   2.8889  2701.38  117.288  2672.66  181.408  2722.01  153.744  132.261   4.4937  133.499   3.7732 -1.237854 5.867740 
1 1 1    7    4   39 o  332.782   4.5765 16921.90  464.845 17526.92  640.484 16248.50  675.709  338.503   6.1991  325.850   6.7940 12.65375 9.197124 
1 1 1    7    4   40 o  325.226   5.2388 16169.69  520.032 16389.25  647.284 15769.95  873.370  327.278   6.4798  320.658   8.9236 6.619415 11.02806 
1 1 1    7    4   41 o  189.325   3.7827  5475.33  218.587  5542.35  305.757  5405.26  312.616  190.397   5.2614  188.016   5.4475 2.381790 7.573481 
1 1 1    7    4   42 o  185.155   3.5687  5236.39  201.681  5438.81  295.704  5060.34  275.777  188.613   5.1365  181.942   4.9660 6.670212 7.144588 
1 1 1    7    4   43 o  117.759   4.0055  2118.64  143.970  2165.73  157.185  1873.42  358.718  119.049   4.3258  109.827   10.843 9.221672 11.67365 
1 1 1    7    4   44 o  145.913   3.0553  3251.31  136.072  3323.13  188.592  3173.32  196.522  147.473   4.1898  144.098   4.4682 3.374664 6.125333 
1 1 1    7    4   45 o  415.270   5.2579 26369.57  666.445 26507.64  818.098 26097.18  1149.07  416.151   6.4408  412.304   9.1309 3.847321 11.17392 
1 1 1    7    4   46 o  522.874   6.0611 41834.42  967.308 44035.60  1475.59 40175.70  1280.93  535.589   9.0265  511.840   8.1992 23.74902 12.19445 
1 1 1    7    4   47 o  353.602   5.5490 19125.54  598.895 20885.22  1078.92 18341.87  720.006  368.672   9.5880  346.080   6.8162 22.59253 11.76398 
1 1 1    7    4   48 o   92.749   3.6062  1314.16  102.089  1280.41  176.194  1331.22  125.258   91.233   6.3673   93.326   4.3973 -2.093697 7.738118 
1 1 1    7    4   49 o   99.816   2.7932  1521.49   85.099  1619.43   99.068  1245.77  166.217  102.970   3.1521   90.009   6.0860 12.96133 6.853858 
1 1 1    7    4   50 o  174.567   2.5195  4653.23  134.242  4773.49  191.173  4536.25  188.548  176.761   3.5434  172.310   3.5850 4.450684 5.040675 
1 1 1    7    4   51 o  124.518   2.1575  2367.23   81.998  2340.33  113.774  2396.30  118.284  123.783   3.0114  125.251   3.0940 -1.468330 4.317594 
1 1 1    7    4   52 o   15.594   5.2026   35.021   29.039   43.348   41.319   26.893   40.822   17.818   6.1996   15.932   6.0638 1.885935 8.672015 
1 1 1    7    4   53 o  231.903   4.4713  8225.64  316.489  8284.62  463.700  8174.21  433.038  232.439   6.5360  230.949   6.1432 1.490204 8.969824 
1 1 1    7    4   54 o   70.000   3.3686  748.843   71.972  748.016   99.998  749.733  103.667   69.755   4.7246   69.817   4.8957 -0.6204224E-01 6.803674 
1 1 1    7    4   55 o  166.390   3.3087  4231.51  168.038  4729.72  272.605  3926.20  213.402  175.733   5.0823  160.186   4.3647 15.54716 6.699328 
1 1 1    7    4   56 o  154.543   3.5323  3651.96  166.620  3897.67  227.416  3367.20  244.820  159.542   4.6701  148.202   5.4122 11.33961 7.148588 
1 1 1    7    4   57 o  199.772   2.8023  6099.07  170.873  6203.39  266.484  6026.24  222.676  201.277   4.3377  198.476   3.6758 2.801376 5.685676 
1 1 1    7    4   58 o  149.126   2.7256  3399.04  124.059  3064.36  238.905  3522.61  145.165  141.258   5.5411  151.776   3.1336 -10.51714 6.365764 
1 1 1    7    4   59 f  121.751   2.9939  2266.95  111.258  2433.29  204.872  2197.38  132.498  125.852   5.3334  119.810   3.6233 6.042679 6.447722 
1 1 1    7    4   60 o   99.087   3.6396  1503.62  110.074  1485.02  159.051  1520.72  152.491   98.136   5.3300   99.365   5.0446 -1.228897 7.338677 
1 1 1    7    4   61 o   70.116   4.5055  757.795   95.912  784.191  106.162  640.560  223.735   71.266   4.9105   62.487   12.168 8.778782 13.12182 
1 1 1    7    5    0 o   66.865   3.6945  688.600   74.874  688.600   74.874  688.600   74.874   66.865   3.6945   66.865   3.6945 -0.000000 0.000000 
1 1 1    7    5    1 o  485.313   10.525 35996.65  1559.06 35742.07  1811.01 36725.45  3064.11  483.468   12.273  489.209   20.521 -5.740601 23.91063 
1 1 1    7    5    2 f  352.171   8.0604 18943.58  866.415 18497.36  1006.08 20224.44  1704.54  347.942   9.4734  363.477   15.364 -15.53497 18.05010 
1 1 1    7    5    3 f  301.076   7.5442 13843.96  693.277 14593.91  1273.79 13528.31  826.398  308.872   13.511  297.574   9.0986 11.29800 16.28942 
1 1 1    7    5    4 o  230.426   4.6639  8105.34  328.021  7991.39  428.832  8266.04  509.246  228.777   6.1413  232.655   7.1713 -3.877777 9.441541 
1 1 1    7    5    5 o  325.476   7.4808 16178.25  743.164 16178.18  796.607 16178.69  2063.73  325.458   8.0192  324.028   20.979 1.430084 22.45976 
1 1 1    7    5    6 o  409.623   10.073 25639.26  1259.39 25639.26  1259.39   0.0000   0.0000  409.623   10.073  ?   ?  0.000000 10.07299 
1 1 1    7    5    7 o  260.710   5.3446 10376.61  425.291 10398.76  576.211 10350.11  630.331  260.950   7.2345  260.322   7.9331 0.6280518 10.73645 
1 1 1    7    5    8 o  302.678   13.500 14012.36  1247.17 14070.38  1764.61 13954.45  1762.93  302.359   19.221  301.098   19.284 1.261108 27.22700 
1 1 1    7    5    9 o   86.628   3.2222  1145.39   85.197  1129.47  126.130  1158.75  115.540   85.881   4.8314   87.127   4.3447 -1.246277 6.497644 
1 1 1    7    5   10 o  465.190   12.776 33089.64  1814.04   0.0000   0.0000 33089.64  1814.04  ?   ?   465.190   12.776 0.000000 12.77615 
1 1 1    7    5   11 o  863.619   16.345 114184.50  4308.40   0.0000   0.0000 114184.50  4308.40  ?   ?   863.619   16.345 0.000000 16.34471 
1 1 1    7    5   12 o  817.599   27.694 102949.10  6911.06 103136.20  8462.95 102574.60 11974.10  816.480   33.959  807.082   48.838 9.397888 59.48436 
1 1 1    7    5   13 o  356.645   9.3662 19431.96  1019.57 18934.43  1119.65 21847.78  2467.20  352.006   10.421  376.710   21.547 -24.70422 23.93477 
1 1 1    7    5   14 f  547.081   13.762 45781.55  2297.94 48008.02  5506.02 45311.95  2528.70  556.376   32.565  544.128   15.226 12.24829 35.94851 
1 1 1    7    5   15 o  682.484   15.826 71304.88  3296.77   0.0000   0.0000 71304.88  3296.77  ?   ?   682.484   15.826 0.000000 15.82629 
1 1 1    7    5   16 o  556.196   10.119 47272.23  1717.87 45532.71  2553.18 48711.13  2322.10  545.409   15.337  564.315   13.482 -18.90552 20.42011 
1 1 1    7    5   17 o  382.856   7.3039 22385.01  853.510 22331.03  1266.86 22429.88  1154.97  382.234   10.859  383.130   9.8766 -0.8954773 14.67861 
1 1 1    7    5   18 o  105.879   3.5917  1711.11  116.070  1789.44  151.397  1599.43  180.780  108.269   4.5814  102.185   5.8203 6.084038 7.407108 
1 1 1    7    5   19 o  273.518   4.7594 11420.73  397.332 10895.53  477.710 12599.60  715.708  267.134   5.8589  287.203   8.1645 -20.06870 10.04918 
1 1 1    7    5   20 o  297.261   6.0842 13492.29  552.025 13306.65  578.149 15408.36  1857.41  295.200   6.4166  316.349   19.329 -21.14835 20.36634 
1 1 1    7    5   21 o  125.431   2.5421  2401.25   97.324  2519.59  127.415  2235.50  150.796  128.481   3.2491  121.016   4.0825 7.465172 5.217635 
1 1 1    7    5   22 f  169.682   3.5992  4394.83  186.406  4834.10  298.532  4114.11  238.646  177.938   5.4967  164.162   4.7628 13.77591 7.273139 
1 1 1    7    5   23 o  789.485   11.369 95305.02  2739.54 100902.80  4745.62 92507.23  3355.02  810.895   19.174  777.400   14.139 33.49506 23.82361 
1 1 1    7    5   24 o  571.794   7.9678 49945.29  1390.57 48878.23  2285.74 50572.29  1752.11  565.161   13.251  575.210   9.9797 -10.04944 16.58840 
1 1 1    7    5   25 o  349.022   5.9825 18601.40  637.315 18275.22  721.828 19754.80  1357.36  345.917   6.8367  359.335   12.376 -13.41797 14.13875 
1 1 1    7    5   26 o  502.171   6.8102 38516.13  1043.83 38336.42  1511.12 38680.14  1443.60  500.774   9.8865  503.055   9.4019 -2.280975 13.64323 
1 1 1    7    5   27 o  487.601   6.8803 36316.59  1023.98 34779.06  1325.05 38596.13  1613.41  477.007   9.1010  502.369   10.522 -25.36230 13.91200 
1 1 1    7    5   28 o   88.585   2.6702  1197.76   72.198  1070.03  118.656  1272.85   90.978   83.585   4.6696   91.316   3.2642 -7.730949 5.697412 
1 1 1    7    5   29 o  178.299   3.7163  4853.19  202.242  5158.77  276.410  4501.11  296.692  183.803   4.9270  171.672   5.6623 12.13121 7.505775 
1 1 1    7    5   30 o  248.774   3.7452  9448.59  284.381  9363.37  543.834  9480.66  333.631  247.519   7.1985  249.178   4.3867 -1.658386 8.429790 
1 1 1    7    5   31 o  190.980   5.5148  5571.74  321.466  5562.75  348.092  5623.86  838.076  190.809   5.9769  190.777   14.501 0.3208923E-01 15.68461 
1 1 1    7    5   32 o  269.248   5.6635 11076.60  465.431 10499.55  630.706 11766.60  689.679  261.995   7.8871  277.332   8.1476 -15.33667 11.33975 
1 1 1    7    5   33 o  108.103   2.3853  1783.88   78.706  1884.48  112.468  1687.34  110.181  111.097   3.3167  105.124   3.4339 5.973297 4.774141 
1 1 1    7    5   34 o  454.430   8.8251 31627.91  1224.07 34666.07  2316.53 30451.00  1441.79  473.824   16.018  445.543   10.602 28.28067 19.20878 
1 1 1    7    5   35 o  546.595   9.9750 45818.07  1664.17 49396.30  5628.04 45475.24  1742.07  553.029   33.500  544.408   10.484 8.621704 35.10218 
1 1 1    7    5   36 o  284.508   5.3767 12371.70  466.901 12884.69  661.704 11863.05  658.901  290.144   7.4719  278.372   7.7549 11.77164 10.76888 
1 1 1    7    5   37 o  228.382   4.1363  7967.43  288.328  8304.17  556.856  7844.08  337.023  232.874   7.8344  226.565   4.8736 6.309158 9.226552 
1 1 1    7    5   38 o  275.431   4.2387 11589.55  356.338 11714.51  551.598 11500.04  466.822  276.714   6.5309  274.261   5.5766 2.452911 8.587866 
1 1 1    7    5   39 o  160.895   3.5929  3953.81  176.446  3960.05  196.223  3927.50  403.288  161.007   3.9929  159.874   8.2930 1.132813 9.204224 
1 1 1    7    5   40 o   29.907   5.1141  140.571   45.005  160.717   82.757  132.110   53.629   31.814   8.3990   28.830   6.2728 2.983852 10.48289 
1 1 1    7    5   41 o  190.913   2.4739  5564.62  144.159  5508.07  243.500  5595.14  178.876  189.867   4.2018  191.415   3.0617 -1.547668 5.198916 
1 1 1    7    5   42 o  190.361   2.7488  5533.08  159.709  5609.10  239.891  5472.56  214.039  191.603   4.1020  189.277   3.7049 2.326385 5.527458 
1 1 1    7    5   43 o   36.085   4.8367  202.593   51.931  181.087   56.220  327.630  135.559   33.962   5.6200   45.295   10.066 -11.33281 11.52897 
1 1 1    7    5   44 o  162.742   3.5575  4045.53  176.711  4072.06  195.085  3924.28  417.089  163.259   3.9150  159.711   8.5877 3.548279 9.437975 
1 1 1    7    5   45 o   31.475   5.4207  155.808   50.198  159.608   53.080  123.638  154.442   31.828   5.6718   32.099   11.883 -0.2703705 13.16717 
1 1 1    7    5   46 o   83.647   3.4483  1068.73   88.038  1142.46  138.727  1019.02  113.916   86.272   5.2939   81.522   4.5969 4.750076 7.011224 
1 1 1    7    5   47 o  269.240   3.9731 11076.05  326.505 12339.78  662.417 10670.50  375.256  283.725   7.6492  264.206   4.6534 19.51947 8.953459 
1 1 1    7    5   48 o  132.542   2.6397  2682.46  106.786  2714.86  206.615  2670.65  124.739  133.240   5.0805  132.236   3.0905 1.003906 5.946698 
1 1 1    7    5   49 f   46.525   3.1423  332.127   44.361  280.620   85.969  350.819   51.789   42.255   6.9042   47.786   3.5767 -5.531490 7.775650 
1 1 1    7    5   50 o  139.097   3.7390  2956.44  158.742  3261.75  408.460  2902.12  172.285  145.348   9.2553  137.796   4.0963 7.551544 10.12129 
1 1 1    7    5   51 o  323.718   5.0721 16032.63  501.151 16555.76  623.240 15075.56  842.998  328.753   6.2111  313.119   8.8206 15.63367 10.78802 
1 1 1    7    5   52 o  427.221   5.5089 27943.46  718.349 28542.08  1015.70 27344.37  1016.10  431.111   7.7189  421.909   7.8904 9.201477 11.03817 
1 1 1    7    5   53 o  125.840   2.6176  2418.61  100.540  2505.58  149.475  2346.76  135.868  128.025   3.8252  123.913   3.5924 4.111610 5.247633 
1 1 1    7    5   54 o  222.110   4.5611  7548.82  309.208  7891.09  791.742  7487.22  335.882  225.193   11.558  221.146   4.9761 4.047195 12.58354 
1 1 1    7    5   55 o  104.451   2.9409  1667.05   93.759  1657.99  117.927  1682.61  154.580  104.128   3.7105  104.827   4.8313 -0.6985779 6.091720 
1 1 1    7    5   56 o   50.155   2.7822  385.566   42.425  406.955   59.303  363.144   60.718   51.439   3.8042   48.538   4.1380 2.900970 5.620889 
1 1 1    7    5   57 o  149.696   2.5420  3423.97  116.145  3677.43  253.840  3356.86  130.620  154.815   5.3719  148.196   2.8877 6.619568 6.098897 
1 1 1    7    5   58 o   50.709   3.5526  395.403   54.638  414.921   88.112  383.209   69.645   51.659   5.6822   49.783   4.6368 1.875748 7.333959 
1 1 1    7    5   59 o  127.130   2.6349  2470.69  102.242  2690.37  217.199  2408.15  115.884  132.308   5.3784  125.477   3.0258 6.831108 6.171136 
1 1 1    7    5   60 o   47.744   4.7301  353.365   68.023  414.179  110.652  316.422   86.244   51.238   7.2802   44.829   6.4921 6.408783 9.754382 
1 1 1    7    6    0 o  851.664   35.328 112140.50  9147.59 112140.50  9147.59 112140.50  9147.59  851.664   35.328  851.664   35.328 0.000000 0.000000 
1 1 1    7    6    1 o  654.309   14.354 65504.04  2866.72 69396.80  5630.88 64142.06  3330.68  671.180   27.487  647.156   16.862 24.02429 32.24645 
1 1 1    7    6    2 o  146.122   5.8133  3259.88  259.274  3160.93  366.536  3358.96  366.802  143.609   8.3987  148.072   8.1473 -4.462738 11.70116 
1 1 1    7    6    3 o   79.464   5.7026  969.012  137.391  935.616  167.714  1037.15  239.561   77.949   7.1281   81.808   9.7885 -3.858345 12.10888 
1 1 1    7    6    4 o  129.320   10.887  2574.00  425.720  2574.00  425.720   0.0000   0.0000  129.320   10.887  ?   ?  0.000000 10.88682 
1 1 1    7    6    5 o  559.227   10.954 47796.70  1869.81 47796.70  1869.81   0.0000   0.0000  559.227   10.954  ?   ?  0.000000 10.95447 
1 1 1    7    6    6 o  830.203   15.537 105492.90  3936.97 105492.90  3936.97   0.0000   0.0000  830.203   15.537  ?   ?  0.000000 15.53678 
1 1 1    7    6    7 o  397.300   6.3921 24101.13  775.138 23875.81  949.744 24550.63  1341.45  395.388   7.8698  400.797   10.966 -5.408325 13.49740 
1 1 1    7    6    8 o  329.933   7.7787 16624.69  783.337 16421.42  934.227 17105.96  1437.52  327.858   9.3358  334.400   14.084 -6.541809 16.89735 
1 1 1    7    6    9 o  474.457   11.153 34405.22  1615.15   0.0000   0.0000 34405.22  1615.15  ?   ?   474.457   11.153 0.000000 11.15319 
1 1 1    7    6   10 o   91.670   2.8903  1282.59   80.871  1484.44  102.525  950.180  131.572   98.618   3.4061   78.699   5.5123 19.91944 6.479686 
1 1 1    7    6   11 o  521.304   9.6173 41519.48  1530.25 41042.63  2068.17 42096.34  2274.74  518.057   13.080  524.568   14.207 -6.511230 19.31118 
1 1 1    7    6   12 o  318.080   5.2808 15445.65  512.683 15215.41  628.380 15904.03  886.655  315.672   6.5218  322.661   9.0031 -6.988800 11.11709 
1 1 1    7    6   13 o  407.816   6.2570 25393.63  778.841 24134.75  986.161 27480.49  1269.71  397.513   8.1279  424.093   9.8090 -26.58029 12.73892 
1 1 1    7    6   14 o  128.256   15.050  2551.83  577.940   0.0000   0.0000  2551.83  577.940  ?   ?   128.256   15.050 0.000000 15.04950 
1 1 1    7    6   15 o  523.090   31.717 42444.62  5039.98   0.0000   0.0000 42444.62  5039.98  ?   ?   523.090   31.717 0.000000 31.71699 
1 1 1    7    6   16 o  651.890   39.257 66382.96  7774.52   0.0000   0.0000 66382.96  7774.52  ?   ?   651.890   39.257 0.000000 39.25660 
1 1 1    7    6   17 o  444.303   6.8116 30144.94  923.729 30807.13  1710.64 29872.37  1097.50  448.829   12.487  442.232   8.1308 6.597229 14.90090 
1 1 1    7    6   18 o  671.178   14.423 68943.43  2954.77 70485.46  5809.52 68405.34  3431.79  675.959   28.158  668.213   16.826 7.746826 32.80246 
1 1 1    7    6   19 o  582.023   13.223 51823.24  2349.05 51959.62  2546.86 51046.17  6079.42  582.665   14.321  572.473   34.960 10.19244 37.77986 
1 1 1    7    6   20 o  623.132   11.213 59364.41  2132.62 57389.77  2448.76 65564.98  4339.30  612.480   13.099  653.248   21.763 -40.76788 25.40125 
1 1 1    7    6   21 o  107.028   2.7844  1748.36   90.958  1661.03  125.415  1845.28  132.115  104.315   3.9390  109.948   3.9368 -5.633423 5.569064 
1 1 1    7    6   22 o  545.349   9.2021 45445.22  1531.71 46200.22  2487.26 44983.97  1944.09  549.303   14.835  542.358   11.744 6.944885 18.92092 
1 1 1    7    6   23 o  329.332   7.5687 16566.88  760.803 16508.07  974.105 16658.88  1218.27  328.652   9.7107  330.017   12.095 -1.364594 15.51053 
1 1 1    7    6   24 o  813.783   11.266 101275.10  2798.40 102529.10  3526.52 99142.69  4598.60  818.323   14.119  803.702   18.746 14.62073 23.46841 
1 1 1    7    6   25 o  123.858   2.8584  2341.53  108.059  2358.27  135.202  2311.92  179.796  124.296   3.5638  123.057   4.7869 1.238617 5.967836 
1 1 1    7    6   26 o  388.868   5.6056 23091.20  665.335 23372.11  876.829 22709.94  1021.51  391.144   7.3445  385.486   8.6819 5.657928 11.37178 
1 1 1    7    6   27 o  403.666   7.3484 24895.09  905.378 24269.04  1113.91 26113.76  1554.15  398.436   9.1596  413.013   12.329 -14.57678 15.35874 
1 1 1    7    6   28 o  307.904   4.4863 14475.09  421.623 14346.16  544.497 14668.17  666.305  306.481   5.8207  309.845   7.0455 -3.363770 9.138919 
1 1 1    7    6   29 o  119.819   2.7055  2191.41   98.943  2350.97  131.273  1981.54  150.553  124.096   3.4658  113.920   4.3299 10.17677 5.546097 
1 1 1    7    6   30 o  150.678   3.5547  3466.25  163.482  3471.72  179.480  3439.60  396.123  150.791   3.8996  149.700   8.7071 1.091782 9.540448 
1 1 1    7    6   31 o  324.123   7.9078 16068.42  782.312 16492.81  1448.95 15893.80  929.423  327.517   14.494  322.204   9.4507 5.313873 17.30331 
1 1 1    7    6   32 o  338.014   5.1964 17455.38  536.106 18006.68  823.296 17049.53  706.395  343.069   7.8624  333.920   6.9309 9.149811 10.48118 
1 1 1    7    6   33 o  297.467   3.7643 13512.59  341.777 13325.53  522.236 13652.73  452.023  295.272   5.7946  298.936   4.9541 -3.663422 7.623714 
1 1 1    7    6   34 o  300.734   5.5295 13822.72  507.556 13292.05  1222.09 13933.33  557.952  293.810   13.628  301.891   6.0552 -8.081024 14.91233 
1 1 1    7    6   35 o  443.422   10.576 30178.39  1431.33 30854.86  3710.52 30060.14  1551.40  440.290   27.753  442.325   11.491 -2.034515 30.03775 
1 1 1    7    6   36 o  459.527   6.9610 32310.65  976.344 32472.86  1561.22 32206.48  1251.20  459.747   11.126  458.397   8.9427 1.350189 14.27422 
1 1 1    7    6   37 o  335.572   6.2321 17223.37  638.320 16430.68  992.038 17783.43  833.867  327.202   9.9333  340.737   8.0179 -13.53531 12.76549 
1 1 1    7    6   38 o  202.195   4.2761  6246.05  263.900  6830.98  671.755  6139.31  286.972  210.879   10.437  200.438   4.6907 10.44141 11.44230 
1 1 1    7    6   39 o  368.643   4.6035 20767.20  517.983 20556.28  795.736 20922.29  682.346  366.427   7.1148  369.838   6.0447 -3.411316 9.335911 
1 1 1    7    6   40 o  153.924   2.4208  3617.15  113.732  3605.58  173.980  3625.79  150.290  153.638   3.7101  154.086   3.1956 -0.4479980 4.896584 
1 1 1    7    6   41 o   72.115   2.0493  793.904   45.107  814.506   61.478  769.881   66.387   73.037   2.7578   71.003   3.0633 2.033287 4.121794 
1 1 1    7    6   42 o   81.529   2.3822  1014.81   59.281  1003.92   80.437  1027.76   87.705   81.077   3.2504   82.029   3.5030 -0.9520111 4.778743 
1 1 1    7    6   43 o  122.101   2.4703  2276.20   92.064  2476.64  171.209  2194.67  109.195  127.303   4.4063  119.882   2.9842 7.421135 5.321732 
1 1 1    7    6   44 o  113.725   3.0500  1975.10  105.868  1943.08  183.519  1991.07  129.609  112.722   5.3340  114.165   3.7195 -1.443108 6.502789 
1 1 1    7    6   45 o  132.850   2.7859  2695.00  112.967  2683.78  157.457  2706.89  162.166  132.538   3.8923  133.104   3.9916 -0.5658112 5.575219 
1 1 1    7    6   46 o  167.587   3.2009  4289.44  163.732  4601.79  288.083  4140.41  198.997  173.456   5.4414  164.617   3.9605 8.839752 6.730141 
1 1 1    7    6   47 o  454.990   5.9427 31679.68  825.285 32178.95  1458.91 31444.73  1000.81  457.253   10.453  453.000   7.2383 4.252686 12.71476 
1 1 1    7    6   48 o  189.068   2.9857  5459.34  172.297  6089.49  317.745  5196.87  205.063  199.533   5.2173  184.434   3.6427 15.09831 6.363175 
1 1 1    7    6   49 o  169.839   3.8447  4407.81  199.305  4567.60  282.367  4249.15  281.356  172.787   5.3541  166.641   5.5317 6.146179 7.698447 
1 1 1    7    6   50 o  190.585   3.0302  5547.97  176.268  5800.46  250.586  5300.67  247.995  194.795   4.2146  186.203   4.3635 8.592224 6.066599 
1 1 1    7    6   51 o  154.832   3.9950  3664.44  188.795  3710.20  272.665  3622.30  261.667  155.663   5.7389  153.822   5.5733 1.840515 7.999768 
1 1 1    7    6   52 o  173.956   3.4516  4624.15  183.264  4656.05  316.938  4608.13  224.624  174.329   5.9564  173.596   4.2393 0.7331390 7.311035 
1 1 1    7    6   53 o  148.176   7.0451  3370.85  318.628  3386.10  386.563  3338.54  562.732  148.054   8.5912  145.954   12.760 2.100601 15.38282 
1 1 1    7    6   54 o  156.220   2.7881  3728.31  132.940  3570.67  194.169  3867.42  182.393  152.784   4.1638  159.040   3.7574 -6.256378 5.608463 
1 1 1    7    6   55 o   27.689   4.3468  120.154   35.526  116.057  106.863  120.663   37.669   28.791   9.9728   27.706   4.6169 1.084614 10.98964 
1 1 1    7    6   56 o  143.969   2.8174  3167.51  123.804  3561.30  252.536  3042.93  142.044  152.375   5.4299  141.074   3.2988 11.30138 6.353432 
1 1 1    7    6   57 f   61.893   3.7535  588.385   70.572  713.867  476.829  585.575   71.358   65.648   21.029   61.739   3.8053 3.908588 21.37079 
1 1 1    7    6   58 o  124.320   2.6612  2362.44  100.980  2483.80  156.656  2276.16  132.082  127.341   4.0305  121.953   3.5484 5.388756 5.369954 
1 1 1    7    6   59 o   55.729   2.7639  474.886   47.013  534.030   74.611  435.941   60.544   58.877   4.1790   53.220   3.7511 5.656956 5.615592 
1 1 1    7    6   60 o   48.205   4.3321  359.355   63.059  357.260   65.531  385.565  231.762   48.035   4.5229   48.410   14.527 -0.3752289 15.21438 
1 1 1    7    7    0 o  549.346   33.172 46863.48  5515.66 46863.48  5515.66 46863.48  5515.66  549.346   33.172  549.346   33.172 -0.000000 0.000000 
1 1 1    7    7    1 o  208.158   4.2537  6614.07  270.259  6488.57  382.150  6739.64  382.258  206.151   6.0734  210.103   5.9608 -3.952148 8.509875 
1 1 1    7    7    2 o   56.901   3.2565  495.799   56.323  484.362   64.503  532.508  115.557   56.205   3.7820   58.690   6.5632 -2.484978 7.574917 
1 1 1    7    7    3 o  384.294   9.5556 22562.69  1120.82 26578.74  2907.24 21861.56  1214.73  415.377   23.021  378.232   10.522 37.14468 25.31162 
1 1 1    7    7    4 o  156.445   8.1978  3748.43  390.088  4678.71  552.613  2824.48  550.728  174.670   10.413  135.224   13.525 39.44638 17.06883 
1 1 1    7    7    5 o  296.651   7.9135 13440.16  716.528 13440.16  716.528   0.0000   0.0000  296.651   7.9135  ?   ?  0.000000 7.913535 
1 1 1    7    7    6 o  432.808   15.185 28666.71  2005.99 28672.92  2456.15 28654.27  3476.38  432.556   18.604  430.691   26.575 1.864838 32.43944 
1 1 1    7    7    7 o  780.346   11.862 93088.59  2825.23 92323.24  3580.92 94350.52  4598.12  776.724   15.105  784.545   19.202 -7.820313 24.43084 
1 1 1    7    7    8 o  223.722   5.7825  7641.52  394.861  7410.98  1066.60  7678.13  425.062  219.445   16.035  224.250   6.2101 -4.805450 17.19582 
1 1 1    7    7    9 o  472.809   10.562 34162.21  1524.24 33918.64  3972.33 34204.27  1650.59  468.420   27.910  473.045   11.432 -4.624603 30.16095 
1 1 1    7    7   10 o  495.568   8.5924 37513.40  1299.68 37382.25  1430.97 38131.34  3106.09  494.653   9.4779  498.588   20.411 -3.935425 22.50383 
1 1 1    7    7   11 o  238.849   5.5910  8709.69  407.595  8908.18  822.937  8645.17  469.187  241.415   11.168  237.947   6.4602 3.467941 12.90210 
1 1 1    7    7   12 o  219.116   5.8159  7330.28  388.965  7235.69  463.632  7555.06  714.735  217.677   6.9782  222.342   10.532 -4.664917 12.63392 
1 1 1    7    7   13 o  613.744   11.723 57587.30  2196.00 57693.53  3105.91 57481.11  3105.32  613.771   16.579  612.636   16.607 1.134521 23.46612 
1 1 1    7    7   14 o  238.847   4.6888  8708.64  341.823  9603.17  532.684  8082.43  445.689  250.770   6.9595  230.072   6.3467 20.69878 9.418886 
1 1 1    7    7   15 o  470.823   10.120 33876.15  1454.35 34572.95  1690.31 31889.84  2853.88  475.536   11.646  455.850   20.511 19.68631 23.58692 
1 1 1    7    7   16 o  166.662   5.1131  4240.49  260.098  4219.64  303.675  4297.90  503.922  166.241   5.9849  167.413   9.9059 -1.171555 11.57349 
1 1 1    7    7   17 o  377.149   13.603 21763.25  1565.95 20834.07  2719.96 22223.94  1915.19  367.182   24.409  380.893   16.474 -13.71124 29.44773 
1 1 1    7    7   18 o  680.537   28.751 71504.73  5972.04 69801.19  8456.08 73199.98  8435.44  666.922   41.751  683.522   40.616 -16.59985 58.24793 
1 1 1    7    7   19 o  377.014   6.8965 21707.05  793.608 22445.30  1238.82 21193.20  1033.53  383.193   10.592  372.431   9.0920 10.76218 13.95897 
1 1 1    7    7   20 o  490.201   7.1861 36700.13  1075.19 37071.22  1407.79 36180.69  1665.60  492.542   9.3644  486.453   11.218 6.088928 14.61278 
1 1 1    7    7   21 o  257.814   4.2434 10146.56  333.919  9986.06  622.377 10211.43  395.692  255.678   7.9752  258.623   5.0127 -2.944397 9.419727 
1 1 1    7    7   22 o  461.749   9.9354 32589.04  1400.26 32102.45  3938.37 32659.45  1498.15  454.891   28.510  462.197   10.620 -7.305450 30.42332 
1 1 1    7    7   23 o  726.584   10.069 80701.75  2232.93 84644.52  3869.00 78732.59  2734.25  742.965   17.061  717.344   12.488 25.62158 21.14332 
1 1 1    7    7   24 o  203.644   3.4531  6330.24  214.635  6052.69  377.557  6462.77  260.893  199.083   6.2134  205.755   4.1543 -6.671875 7.474261 
1 1 1    7    7   25 o  978.542   14.893 146741.09  4448.23 143513.30  6291.15 149967.91  6290.33  965.612   21.346  987.270   20.875 -21.65839 29.85620 
1 1 1    7    7   26 o  344.229   5.9501 18096.61  625.159 17742.60  916.117 18405.14  855.235  340.698   8.8098  347.045   8.0739 -6.347046 11.94989 
1 1 1    7    7   27 o  342.017   6.7501 17870.61  704.657 17247.21  887.812 18931.89  1158.39  335.885   8.6599  351.739   10.790 -15.85422 13.83529 
1 1 1    7    7   28 o  553.261   7.8563 46790.33  1326.67 44296.37  2181.71 48253.61  1671.15  537.498   13.299  561.598   9.7493 -24.10059 16.48934 
1 1 1    7    7   29 o  375.545   6.0194 21547.20  689.970 20770.29  1517.58 21749.64  774.665  367.891   13.515  377.253   6.7277 -9.361481 15.09686 
1 1 1    7    7   30 o  205.460   3.9891  6445.90  250.162  6335.52  343.091  6571.19  365.540  203.641   5.5198  207.384   5.7749 -3.742538 7.988596 
1 1 1    7    7   31 o   84.943   3.1351  1101.57   81.283  1052.04   95.491  1231.86  154.877   83.004   3.7692   89.606   5.6924 -6.601395 6.827126 
1 1 1    7    7   32 o  273.479   5.1553 11427.26  430.325 11512.04  584.204 11326.71  636.266  274.358   6.9764  272.081   7.6617 2.277252 10.36199 
1 1 1    7    7   33 o   58.338   3.4671  521.516   61.458  509.057   93.567  530.971   81.506   57.463   5.3981   58.778   4.5793 -1.315346 7.078797 
1 1 1    7    7   34 o  222.937   5.4713  7596.43  372.297  7985.78  738.807  7463.91  431.024  228.104   10.612  220.923   6.3921 7.180252 12.38812 
1 1 1    7    7   35 o  331.337   6.1187 16787.89  618.792 17579.70  1499.52 16625.38  679.331  337.495   14.557  329.658   6.7515 7.836304 16.04633 
1 1 1    7    7   36 o  581.752   7.5089 51813.21  1333.31 51931.76  2351.71 51757.05  1618.59  580.466   13.274  580.997   9.1274 -0.5305786 16.10893 
1 1 1    7    7   37 o  418.335   6.2724 26769.99  800.893 26858.61  1345.57 26721.38  996.666  418.140   10.543  417.686   7.8178 0.4533997 13.12533 
1 1 1    7    7   38 o  473.228   6.8655 34276.84  991.649 33806.41  1271.64 35006.87  1584.10  469.509   8.8736  477.189   10.876 -7.679291 14.03682 
1 1 1    7    7   39 o  140.648   2.6922  3020.38  115.574  3024.35  162.226  3016.28  164.695  140.709   3.7773  140.519   3.8400 0.1900177 5.386413 
1 1 1    7    7   40 o  128.721   2.8523  2530.03  112.064  2388.47  182.791  2615.28  141.849  125.006   4.7908  130.852   3.5516 -5.846512 5.963715 
1 1 1    7    7   41 o   89.874   2.2883  1233.16   62.773  1218.00  102.371  1242.29   79.466   89.293   3.7562   90.197   2.8865 -0.9039612 4.737155 
1 1 1    7    7   42 o  291.597   6.3997 13014.03  569.590 13248.28  1207.42 12946.98  645.986  292.747   13.513  290.721   7.2800 2.026306 15.34919 
1 1 1    7    7   43 o  144.442   3.3766  3186.60  148.866  3353.42  229.490  3065.41  195.603  148.098   5.0769  141.622   4.5251 6.475662 6.800832 
1 1 1    7    7   44 o   69.192   2.4949  730.961   52.689  843.884   85.907  662.869   66.710   74.225   3.8047   65.794   3.3327 8.430817 5.057947 
1 1 1    7    7   45 o  183.140   3.0539  5122.18  170.707  5603.46  304.929  4902.49  206.017  191.424   5.2190  179.138   3.7679 12.28687 6.436967 
1 1 1    7    7   46 o  131.911   2.8067  2657.11  113.002  2384.93  184.637  2820.12  142.889  124.898   4.8434  135.876   3.4454 -10.97816 5.943820 
1 1 1    7    7   47 o  227.443   3.3292  7901.69  231.117  8002.51  316.504  7786.51  338.280  228.803   4.5321  225.662   4.9113 3.141327 6.682905 
1 1 1    7    7   48 o  195.945   3.5193  5865.60  210.477  5829.36  261.580  5932.17  354.480  195.282   4.3886  196.867   5.8993 -1.585114 7.352647 
1 1 1    7    7   49 o  186.861   4.5375  5338.65  258.794  5338.24  329.177  5339.31  418.768  186.746   5.7751  186.591   7.3530 0.1555176 9.349812 
1 1 1    7    7   50 o  167.685   3.3156  4295.76  169.696  4295.06  227.206  4296.64  255.198  167.600   4.4415  167.589   4.9890 0.1130676E-01 6.679601 
1 1 1    7    7   51 o   55.076   3.2413  465.039   54.248  521.996   94.571  437.108   66.227   58.149   5.3897   53.314   4.1013 4.834610 6.772722 
1 1 1    7    7   52 o   54.266   7.6755  461.250  123.585  464.119  141.968  452.275  251.115   54.212   8.8878   53.013   14.900 1.199158 17.34943 
1 1 1    7    7   53 o  196.269   3.2857  5886.92  196.835  6268.75  282.083  5524.58  274.793  202.405   4.5660  189.992   4.7386 12.41266 6.580525 
1 1 1    7    7   54 o  250.013   3.6087  9556.85  275.381 10269.50  391.364  8858.00  387.559  258.956   4.9515  240.445   5.2809 18.51114 7.239131 
1 1 1    7    7   55 o  134.704   3.7276  2775.34  153.259   0.0000   0.0000  2775.34  153.259  ?   ?   134.704   3.7276 0.000000 3.727580 
1 1 1    7    7   56 o   60.160   3.8726  556.129   70.731  684.760  150.150  519.444   80.185   66.221   7.5644   58.053   4.5621 8.168121 8.833605 
1 1 1    7    7   57 o   84.131   3.0928  1082.36   79.420  1056.68  167.811  1089.78   90.156   82.554   6.7182   84.395   3.4999 -1.841377 7.575205 
1 1 1    7    7   58 o  116.399   3.3209  2073.16  117.983  2171.96  182.706  2002.48  154.519  118.937   5.0329  114.280   4.4299 4.656776 6.704776 
1 1 1    7    7   59 o   44.878   4.2040  311.501   56.915  387.962  105.088  279.763   67.704   49.592   7.1492   42.323   5.3613 7.269119 8.936127 
1 1 1    7    7   60 o   40.853   12.003  271.074  159.548  321.558  230.205  224.408  221.326   44.903   14.632   39.734   14.300 5.169090 20.45959 
1 1 1    7    8    0 o  942.869   39.135 137637.80 11218.50 137637.80 11218.50 137637.80 11218.50  942.869   39.135  942.869   39.135 -0.000000 0.000000 
1 1 1    7    8    1 o  239.962   5.8105  8791.20  425.570  8630.67  493.657  9255.74  839.752  237.742   6.8030  246.084   11.180 -8.341568 13.08734 
1 1 1    7    8    2 o  562.235   10.203 48302.55  1750.96 51303.11  2365.76 44667.84  2603.77  579.172   13.383  540.192   15.792 38.97943 20.69990 
1 1 1    7    8    3 f  218.103   4.6912  7261.50  312.293  7604.75  422.659  6848.80  463.453  223.176   6.2048  211.777   7.1698 11.39914 9.481878 
1 1 1    7    8    4 o   31.174   7.4608  154.404   70.043  185.068   92.335  112.840  107.498   34.167   8.8004   28.782   10.001 5.384897 13.32133 
1 1 1    7    8    5 o  304.081   7.3704 14120.60  684.068 13943.45  794.351 14629.06  1345.73  302.131   8.6139  309.226   14.258 -7.095367 16.65821 
1 1 1    7    8    6 o  663.709   12.664 67359.26  2565.53 66387.07  3628.54 68331.09  3627.88  658.234   18.061  667.841   17.798 -9.606567 25.35637 
1 1 1    7    8    7 o  619.034   16.740 58684.03  3162.87   0.0000   0.0000 58684.03  3162.87  ?   ?   619.034   16.740 0.000000 16.73978 
1 1 1    7    8    8 o  269.580   5.7470 11095.34  472.878 10639.03  672.049 11542.81  665.500  263.918   8.3429  274.911   7.9312 -10.99295 11.51119 
1 1 1    7    8    9 o  792.587   17.404 96236.66  4210.38 106138.40 10915.10 94505.80  4563.56  823.052   43.605  785.132   19.043 37.91986 47.58188 
1 1 1    7    8   10 o  374.975   8.9214 21480.01  1021.06 21140.20  1217.98 22283.53  1872.92  371.913   10.730  381.488   16.085 -9.574799 19.33522 
1 1 1    7    8   11 o  316.354   11.075 15297.67  1069.41 15526.81  1859.85 15184.49  1307.10  317.627   19.275  315.055   13.593 2.572174 23.58604 
1 1 1    7    8   12 o  378.661   7.5001 21898.33  866.832 21787.27  1289.61 21989.86  1170.76  377.529   11.192  379.337   10.112 -1.808533 15.08306 
1 1 1    7    8   13 o  963.175   22.179 142510.50  6520.25 141940.80  7068.31 145762.70 16887.99  960.679   24.106  954.334   58.257 6.344299 63.04697 
1 1 1    7    8   14 o  255.284   5.1856  9949.31  404.051 10008.36  548.698  9879.36  597.207  256.001   7.0222  254.329   7.6933 1.672333 10.41625 
1 1 1    7    8   15 o  226.792   5.7639  7853.09  398.990  7840.56  462.895  7889.30  786.958  226.592   6.6930  227.163   11.350 -0.5710144 13.17644 
1 1 1    7    8   16 o  380.399   8.4570 22105.68  981.913 22400.39  1141.39 21266.55  1925.98  382.862   9.7673  372.543   16.938 10.31824 19.55224 
1 1 1    7    8   17 o  100.811   6.3767  1558.08  195.198  1250.54  475.690  1620.34  214.049   88.708   18.180  102.777   6.8628 -14.06925 19.43198 
1 1 1    7    8   18 o  524.178   12.056 42021.60  1928.81 42862.46  2302.92 40045.56  3530.31  529.172   14.258  510.327   22.665 18.84424 26.77648 
1 1 1    7    8   19 o  561.739   12.152 48263.62  2083.54 46775.89  2663.82 50608.03  3343.96  552.592   15.794  574.290   19.077 -21.69781 24.76645 
1 1 1    7    8   20 o  280.069   6.5337 11978.56  558.528 12388.37  1625.05 11923.67  594.761  283.515   18.887  279.414   6.9739 4.100952 20.13352 
1 1 1    7    8   21 o  241.276   8.0351  8893.32  591.731  9065.70  1264.61  8845.00  669.551  242.555   17.193  240.584   9.1180 1.971024 19.46118 
1 1 1    7    8   22 o  496.933   7.0937 37718.01  1075.93 39761.11  1993.38 36878.10  1278.09  509.728   12.813  491.277   8.5235 18.45114 15.38869 
1 1 1    7    8   23 o  731.160   9.3835 81713.31  2094.09 83631.26  3115.14 80132.05  2828.54  739.016   13.810  723.562   12.808 15.45410 18.83517 
1 1 1    7    8   24 o  290.038   3.9964 12841.89  353.790 13352.86  527.204 12423.26  477.194  295.700   5.8413  285.233   5.4812 10.46765 8.010293 
1 1 1    7    8   25 o  157.934   2.7548  3807.20  132.796  3907.77  201.506  3730.00  176.560  159.990   4.1265  156.314   3.7006 3.676010 5.542784 
1 1 1    7    8   26 o  797.653   9.5392 97306.85  2322.44 95433.95  3362.58 99015.23  3211.48  788.976   13.963  803.867   13.089 -14.89014 19.13887 
1 1 1    7    8   27 o  567.462   9.3929 49259.32  1626.87 48832.21  2494.33 49575.53  2146.19  564.078   14.488  568.789   12.362 -4.710449 19.04519 
1 1 1    7    8   28 o  368.825   6.1884 20784.46  696.647 21614.83  1067.19 20167.86  919.618  375.841   9.3029  363.142   8.2969 12.69925 12.46522 
1 1 1    7    8   29 o  522.712   9.2521 41823.08  1476.11 43211.71  2007.43 40188.35  2178.06  530.687   12.393  511.418   13.953 19.26892 18.66244 
1 1 1    7    8   30 o  379.347   7.4105 22009.24  858.026 22387.17  961.086 20525.14  1904.53  382.493   8.2323  364.623   17.113 17.87021 18.99015 
1 1 1    7    8   31 o  151.173   2.8117  3488.89  129.734  3621.05  175.113  3328.09  193.154  153.990   3.7257  147.614   4.2870 6.375320 5.679755 
1 1 1    7    8   32 o  309.664   4.4142 14647.74  417.219 14349.81  577.369 14973.33  603.577  306.363   6.1745  312.935   6.3192 -6.571808 8.834960 
1 1 1    7    8   33 o   78.034   4.0042  932.481   95.048  1577.90  226.220  794.116  104.742  101.278   7.3686   71.934   4.7981 29.34383 8.793097 
1 1 1    7    8   34 o  125.856   3.8433  2419.22  147.637  2408.14  273.580  2423.76  175.364  125.240   7.1870  125.954   4.5615 -0.7139664 8.512377 
1 1 1    7    8   35 o  291.013   4.8641 12941.63  432.047 12554.85  670.734 13215.93  564.837  286.349   7.6743  293.949   6.2955 -7.600616 9.926151 
1 1 1    7    8   36 o  129.391   2.2882  2555.80   90.366  2760.18  141.513  2415.07  117.426  134.438   3.4487  125.762   3.0591 8.675850 4.609958 
1 1 1    7    8   37 o   74.198   2.7542  840.568   62.375  789.336   86.941  894.906   89.539   71.772   3.9844   76.445   3.8498 -4.672462 5.540464 
1 1 1    7    8   38 o   48.451   3.9115  360.948   57.352  382.584   71.042  320.460   97.184   49.810   4.7296   45.179   7.2962 4.630653 8.695071 
1 1 1    7    8   39 o  255.607   3.9470  9981.30  307.933  9984.48  397.229  9976.53  487.458  255.558   5.0925  255.343   6.2545 0.2149963 8.065558 
1 1 1    7    8   40 o  143.992   3.1323  3166.34  137.662  3287.70  196.621  3049.65  192.801  146.677   4.3919  141.264   4.4716 5.413300 6.267684 
1 1 1    7    8   41 o  305.016   4.8433 14221.78  450.898 14018.76  758.101 14332.91  560.892  302.361   8.2146  306.069   6.0040 -3.708496 10.17484 
1 1 1    7    8   42 o  178.149   2.9537  4846.48  160.606  5013.56  302.819  4781.08  189.445  181.055   5.4797  176.920   3.5082 4.134964 6.506511 
1 1 1    7    8   43 o  166.555   2.7830  4235.92  141.477  4446.63  203.865  4040.17  196.496  170.601   3.9151  162.615   3.9589 7.986115 5.567870 
1 1 1    7    8   44 o   54.369   3.1583  452.980   52.185  516.682  101.890  430.328   60.759   57.819   5.8543   52.939   3.7853 4.880318 6.971418 
1 1 1    7    8   45 o  147.964   3.8945  3345.03  175.885  3409.44  238.036  3267.58  261.029  149.313   5.2231  146.135   5.8522 3.177948 7.844008 
1 1 1    7    8   46 o  236.158   4.5292  8525.02  326.465  8568.03  449.159  8476.85  475.335  236.583   6.2201  235.273   6.6193 1.309814 9.083224 
1 1 1    7    8   47 o  464.908   6.0932 33087.31  864.627 33190.74  1170.26 32962.98  1283.04  465.039   8.2447  463.164   9.0758 1.874359 12.26160 
1 1 1    7    8   48 o  156.346   4.1734  3736.20  199.157  3486.77  459.676  3793.84  220.973  150.149   10.089  157.522   4.5960 -7.372879 11.08640 
1 1 1    7    8   49 o  108.487   3.2632  1797.98  108.053  1699.42  166.731  1869.34  141.879  105.391   5.1832  110.583   4.2035 -5.191422 6.673429 
1 1 1    7    8   50 o   53.156   4.7099  435.571   75.625  435.515   84.159  435.803  172.350   53.087   5.2633   52.136   11.167 0.9503860 12.34529 
1 1 1    7    8   51 o  139.529   3.0724  2974.24  130.846  3094.50  227.574  2914.85  159.923  142.179   5.2441  138.091   3.7943 4.087982 6.472769 
1 1 1    7    8   52 o  121.514   2.9671  2255.85  110.048  2106.90  184.949  2337.48  136.924  117.306   5.1655  123.660   3.6277 -6.354568 6.312127 
1 1 1    7    8   53 o  179.053   3.5606  4901.13  194.588  4727.62  331.188  4992.60  240.473  175.552   6.1809  180.639   4.3615 -5.086761 7.564827 
1 1 1    7    8   54 o  126.927   3.1030  2462.25  120.213  2430.54  478.588  2464.39  124.195  124.044   12.826  126.976   3.2045 -2.931839 13.22011 
1 1 1    7    8   55 o   32.753   6.0382  169.894   58.139  174.495  131.710  168.780   64.793   33.994   11.067   32.537   6.7458 1.457352 12.96122 
1 1 1    7    8   56 o  103.442   2.9847  1635.86   94.234  1781.01  159.343  1557.79  116.859  107.779   4.8438  100.888   3.7949 6.890083 6.153359 
1 1 1    7    8   57 o  105.708   7.3595  1734.23  235.967  1794.41  281.592  1592.35  432.407  107.190   8.6815   98.806   14.793 8.383919 17.15244 
1 1 1    7    8   58 o  104.374   4.4014  1670.78  140.217  1698.26  153.295  1530.01  346.926  105.183   4.7749   97.744   11.872 7.439026 12.79661 
1 1 1    7    8   59 o   86.855   4.5457  1161.17  120.088  1410.86  604.612  1150.91  122.529   88.441   22.379   86.451   4.6608 1.990501 22.85964 
1 1 1    7    9    0 o  180.677   9.3087  5024.14  510.233  5024.14  510.233  5024.14  510.233  180.677   9.3087  180.677   9.3087 0.000000 0.000000 
1 1 1    7    9    1 o  247.562   6.2960  9357.74  475.733  9375.31  515.163  9255.92  1239.88  247.783   6.8117  245.283   16.660 2.500000 17.99884 
1 1 1    7    9    2 o  954.830   17.395 139667.41  5069.55 143915.50  6848.49 134518.00  7540.17  967.813   23.184  934.738   26.429 33.07513 35.15629 
1 1 1    7    9    3 o  197.454   5.6191  5952.38  338.647  5957.73  366.665  5921.35  883.289  197.536   6.0815  196.145   14.864 1.390549 16.06036 
1 1 1    7    9    4 o  723.883   10.681 80085.45  2359.86 86814.48  3842.01 76008.73  2990.46  752.890   16.719  704.864   13.900 48.02667 21.74249 
1 1 1    7    9    5 o  574.834   19.254 50667.29  3378.08 54440.52  5854.42 48783.96  4136.09  592.418   32.501  563.303   24.056 29.11420 40.43570 
1 1 1    7    9    6 o  832.163   19.816 106217.70  5033.08   0.0000   0.0000 106217.70  5033.08  ?   ?   832.163   19.816 0.000000 19.81567 
1 1 1    7    9    7 o  691.593   16.909 73265.52  3569.35   0.0000   0.0000 73265.52  3569.35  ?   ?   691.593   16.909 0.000000 16.90917 
1 1 1    7    9    8 o  314.322   6.3730 15085.83  611.415 14950.30  909.546 15197.56  825.844  312.804   9.5265  315.416   8.5782 -2.611694 12.81955 
1 1 1    7    9    9 o  352.105   6.9403 18932.61  745.881 20022.43  1055.47 17845.41  1054.20  361.995   9.5527  341.724   10.107 20.27048 13.90718 
1 1 1    7    9   10 f  934.173   23.422 134162.50  6678.43 150426.20 15965.23 130713.00  7352.63  972.623   53.991  921.255   26.148 51.36743 59.99004 
1 1 1    7    9   11 o  597.600   10.953 54590.55  1997.84 54417.64  2700.13 54799.72  2969.83  596.247   14.837  598.156   16.267 -1.908997 22.01674 
1 1 1    7    9   12 o  251.820   5.1148  9681.07  393.132  9912.37  534.767  9409.07  579.919  254.773   6.8769  248.201   7.6550 6.571609 10.29036 
1 1 1    7    9   13 o  323.158   8.1928 15952.41  808.095 15518.99  875.816 18434.32  2095.82  318.707   9.0034  346.025   19.928 -27.31757 21.86772 
1 1 1    7    9   14 o  297.936   6.1276 13553.98  557.230 13553.98  557.230   0.0000   0.0000  297.936   6.1276  ?   ?  0.000000 6.127645 
1 1 1    7    9   15 o  545.284   13.046 45488.66  2171.26 44074.67  2353.36 53579.15  5629.28  536.601   14.369  587.496   31.508 -50.89545 34.62948 
1 1 1    7    9   16 o  283.599   5.4893 12279.77  475.163 12335.16  522.693 12016.06  1140.43  284.225   6.0251  280.232   13.333 3.993225 14.63137 
1 1 1    7    9   17 o  505.603   11.323 39088.06  1747.36 38939.65  2030.81 39511.17  3429.01  504.468   13.189  506.949   22.161 -2.481140 25.78876 
1 1 1    7    9   18 o  390.494   8.6704 23297.97  1033.40 22945.46  1200.77 24304.68  2029.20  387.445   10.154  398.217   16.695 -10.77246 19.54039 
1 1 1    7    9   19 o  200.233   4.9041  6121.05  299.718  6851.85  359.964  4469.26  541.176  211.838   5.5672  170.663   10.439 41.17435 11.83108 
1 1 1    7    9   20 o  575.136   13.903 50642.51  2440.61 48910.85  2913.55 54715.88  4468.58  564.787   16.901  595.805   24.572 -31.01770 29.82380 
1 1 1    7    9   21 f  386.532   9.4260 22836.38  1112.06 21976.26  1328.13 24853.82  2034.05  379.042   11.480  402.598   16.553 -23.55685 20.14406 
1 1 1    7    9   22 o  248.941   7.6305  9467.76  579.782  9262.25  1347.40  9514.46  642.284  244.952   18.151  249.525   8.4333 -4.572723 20.01442 
1 1 1    7    9   23 o  262.163   4.1126 10492.45  329.084 11183.18  572.582 10151.74  402.136  270.571   6.9333  257.848   5.1097 12.72302 8.612736 
1 1 1    7    9   24 o  291.145   3.8070 12940.27  338.306 12762.18  547.627 13050.18  430.216  289.058   6.2070  292.351   4.8213 -3.292328 7.859514 
1 1 1    7    9   25 o  543.842   7.7488 45203.57  1286.24 45370.97  1734.45 44999.00  1917.32  544.522   10.436  542.117   11.587 2.404907 15.59402 
1 1 1    7    9   26 o  158.484   4.5879  3835.41  221.932  3871.15  686.988  3831.24  234.506  158.170   14.387  158.392   4.8507 -0.2225800 15.18316 
1 1 1    7    9   27 o  454.420   10.228 31618.62  1418.66 32224.13  1692.40 30187.64  2601.71  458.448   12.095  442.152   19.278 16.29568 22.75820 
1 1 1    7    9   28 o  125.490   4.7761  2405.24  182.935  2763.31  365.564  2285.61  211.294  134.068   8.9855  122.309   5.6600 11.75935 10.61950 
1 1 1    7    9   29 o  110.450   3.2075  1862.51  108.130  1838.99  115.887  2020.78  300.593  109.747   3.4596  114.574   8.6595 -4.827515 9.325035 
1 1 1    7    9   30 f  330.772   4.8012 16714.36  484.726 16313.43  685.462 17115.40  685.551  326.605   6.8761  334.553   6.7136 -7.947998 9.610093 
1 1 1    7    9   31 o  335.988   5.0695 17249.26  519.887 16794.78  647.620 18072.95  871.863  331.411   6.4023  343.559   8.3144 -12.14819 10.49374 
1 1 1    7    9   32 o  168.830   3.2833  4352.34  169.190  4377.62  286.546  4338.81  209.633  169.233   5.5474  168.542   4.0751 0.6911469 6.883310 
1 1 1    7    9   33 o  300.887   5.8624 13841.77  538.387 14476.48  804.602 13327.17  724.474  307.386   8.5759  295.001   8.0460 12.38486 11.75945 
1 1 1    7    9   34 o  600.812   8.6371 55320.55  1583.89 57387.70  2531.61 53990.96  2030.34  610.050   13.596  592.695   11.223 17.35535 17.63000 
1 1 1    7    9   35 o  442.022   6.6001 29894.69  890.456 29681.24  1424.22 30031.67  1140.95  439.545   10.616  442.672   8.4444 -3.126160 13.56488 
1 1 1    7    9   36 o  607.859   7.1838 56569.35  1332.82 58677.31  2603.90 55821.01  1551.47  616.421   13.840  603.465   8.4231 12.95605 16.20152 
1 1 1    7    9   37 o  155.996   2.5025  3715.26  119.152  3625.07  168.666  3805.10  168.346  154.058   3.5870  157.840   3.4944 -3.782440 5.007686 
1 1 1    7    9   38 o  221.337   3.6040  7482.97  243.477  7366.53  320.790  7641.19  373.947  219.534   4.7874  223.536   5.4808 -4.001495 7.277271 
1 1 1    7    9   39 o  156.944   2.5115  3760.67  120.310  3820.96  191.255  3721.19  154.767  158.145   3.9622  156.095   3.2484 2.050461 5.123634 
1 1 1    7    9   40 o  101.523   2.8513  1573.86   88.354  1782.81  335.598  1558.30   91.585  107.181   10.389  101.017   2.9704 6.163933 10.80524 
1 1 1    7    9   41 o  177.333   4.5572  4806.34  246.663  5179.23  461.487  4657.21  291.849  183.772   8.2274  174.501   5.4795 9.270721 9.885109 
1 1 1    7    9   42 o  230.434   3.1086  8109.31  218.642  8115.87  342.292  8104.79  284.170  230.409   4.8672  230.313   4.0424 0.9587097E-01 6.326998 
1 1 1    7    9   43 o  148.195   2.5177  3353.17  113.881  3408.25  174.527  3312.32  150.281  149.361   3.8283  147.263   3.3435 2.098267 5.082786 
1 1 1    7    9   44 o  324.941   6.7695 16169.66  671.396 15805.92  1153.28 16356.14  825.751  320.139   11.803  326.529   8.2854 -6.389862 14.42047 
1 1 1    7    9   45 o  126.747   3.6734  2454.29  142.112  2336.35  198.746  2577.67  203.283  123.595   5.2684  129.829   5.1299 -6.233734 7.353401 
1 1 1    7    9   46 o   63.523   2.6513  616.170   51.405  640.487   77.186  596.786   68.912   64.623   3.9319   62.394   3.6343 2.228481 5.354229 
1 1 1    7    9   47 o   96.457   2.7065  1420.81   79.683  1513.50  260.555  1411.25   83.693   98.881   8.7225   96.129   2.8524 2.752319 9.177064 
1 1 1    7    9   48 o  163.001   3.2009  4058.65  159.248  4358.41  274.516  3906.61  195.507  168.770   5.3291  159.876   4.0065 8.894791 6.667180 
1 1 1    7    9   49 o   87.505   2.5528  1169.33   68.182  1006.60  157.350  1206.94   75.654   80.794   6.4341   88.896   2.7883 -8.101791 7.012267 
1 1 1    7    9   50 o  293.196   5.8232 13167.46  521.119 13418.91  655.590 12735.91  858.857  295.680   7.2643  287.388   9.7912 8.292297 12.19170 
1 1 1    7    9   51 o  307.779   4.2717 14487.94  401.290 14834.27  567.827 14142.39  567.195  311.112   5.9797  303.741   6.1180 7.371948 8.554971 
1 1 1    7    9   52 o  130.288   2.8637  2593.36  113.881  2704.80  166.533  2495.47  156.079  132.982   4.1029  127.740   4.0031 5.242584 5.732243 
1 1 1    7    9   53 o  102.108   2.1786  1592.25   67.898  1741.31  126.665  1532.15   80.430  106.700   3.8894  100.147   2.6313 6.552986 4.695807 
1 1 1    7    9   54 o  259.769   4.3668 10330.69  346.236 12049.26  621.560  9557.50  416.909  279.766   7.2790  249.636   5.4716 30.12950 9.106185 
1 1 1    7    9   55 o   69.991   2.8862  748.786   61.658  867.438  152.045  725.434   67.453   74.778   6.7339   68.879   3.2085 5.899170 7.459208 
1 1 1    7    9   56 o  185.263   4.1769  5257.72  236.190  5656.84  317.181  4760.92  353.870  191.922   5.4146  175.802   6.5948 16.11975 8.532851 
1 1 1    7    9   57 o   70.309   4.0746  759.988   87.065  863.518  150.374  707.780  106.785   74.526   6.6817   67.680   5.2093 6.845711 8.472375 
1 1 1    7    9   58 o   98.182   7.6969  1503.68  228.809  1513.55  294.176  1488.56  364.045   97.791   9.9963   95.925   12.750 1.865784 16.20122 
1 1 1    7    9   59 o   56.586   4.3472  494.298   74.508  533.179  203.634  488.288   80.059   56.875   12.102   56.182   4.7122 0.6931725 12.98711 
1 1 1    7   10    0 o  958.335   25.704 141076.20  7506.23 141076.20  7506.23 141076.20  7506.23  958.335   25.704  958.335   25.704 0.000000 0.000000 
1 1 1    7   10    1 o  189.083   9.6702  5477.29  556.222  4788.71  787.189  6163.87  786.047  176.270   14.767  200.334   12.924 -24.06374 19.62414 
1 1 1    7   10    2 o  1110.11   32.033 190644.59 10853.88 195715.30 15350.13 185574.50 15349.28  1117.46   45.005  1087.32   46.250 30.13660 64.53334 
1 1 1    7   10    3 o  227.889   9.0466  7934.31  629.254  6940.99  1094.12  8425.25  769.196  212.176   17.038  234.781   10.734 -22.60522 20.13766 
1 1 1    7   10    4 o  524.828   21.961 42308.36  3517.88   0.0000   0.0000 42308.36  3517.88  ?   ?   524.828   21.961 0.000000 21.96075 
1 1 1    7   10    5 o  954.798   39.337 142036.50 11463.80   0.0000   0.0000 142036.50 11463.80  ?   ?   954.798   39.337 0.000000 39.33690 
1 1 1    7   10    6 o  266.902   12.289 10893.91  1001.08   0.0000   0.0000 10893.91  1001.08  ?   ?   266.902   12.289 0.000000 12.28854 
1 1 1    7   10    7 o   91.726   6.1379  1290.45  170.850  1211.18  311.177  1324.66  204.416   88.214   11.857   92.848   7.2712 -4.634537 13.90937 
1 1 1    7   10    8 o  952.775   22.308 139493.00  6487.45 158136.20 16810.56 136230.50  7032.20  995.528   55.545  940.908   24.487 54.62030 60.70300 
1 1 1    7   10    9 o  718.841   12.727 79038.09  2792.30 83558.69  4153.69 75310.73  3771.70  738.196   18.435  700.958   17.629 37.23749 25.50755 
1 1 1    7   10   10 o  597.810   10.754 54629.07  1962.20 54410.78  2918.83 54809.07  2650.48  596.017   16.045  598.393   14.512 -2.375183 21.63390 
1 1 1    7   10   11 o  743.854   13.156 84652.41  2986.91 85183.39  4225.45 84122.09  4222.81  745.266   18.576  740.589   18.681 4.677979 26.34477 
1 1 1    7   10   12 o  660.276   11.476 66660.73  2312.86 67620.17  3272.86 65703.62  3268.90  664.390   16.139  654.874   16.354 9.516174 22.97689 
1 1 1    7   10   13 o  404.017   9.7563 24945.74  1203.10 23826.45  1398.15 28138.79  2361.49  394.734   11.605  428.366   18.061 -33.63232 21.46825 
1 1 1    7   10   14 o  418.932   8.2428 26811.18  1053.99 26811.18  1053.99   0.0000   0.0000  418.932   8.2428  ?   ?  0.000000 8.242841 
1 1 1    7   10   15 o  192.951   5.6893  5684.52  335.057  5684.52  335.057   0.0000   0.0000  192.951   5.6893  ?   ?  0.000000 5.689257 
1 1 1    7   10   16 o  360.067   8.1170 19806.18  892.062 19605.37  1036.26 20380.88  1753.06  358.171   9.4790  364.737   15.747 -6.566528 18.37988 
1 1 1    7   10   17 o  335.612   6.0996 17199.73  624.821 17196.63  925.000 17202.34  847.357  335.463   9.0340  335.554   8.2735 -0.9106445E-01 12.25004 
1 1 1    7   10   18 o  512.190   11.320 40121.02  1769.61 38894.28  4948.88 40300.86  1894.90  499.423   32.645  513.259   12.096 -13.83606 34.81389 
1 1 1    7   10   19 o  476.274   10.636 34685.78  1546.20 35512.17  4331.51 34565.10  1655.25  477.820   29.850  475.374   11.408 2.445190 31.95535 
1 1 1    7   10   20 o   94.868   4.6033  1374.02  133.292  1437.51  165.550  1257.00  224.747   96.863   5.6238   90.325   8.2429 6.537140 9.978578 
1 1 1    7   10   21 o  149.174   4.7564  3397.54  216.563  3421.04  261.039  3345.67  387.880  149.674   5.7140  147.704   8.6414 1.970383 10.35972 
1 1 1    7   10   22 o  242.178   6.0314  8957.61  445.834  9218.18  534.627  8362.67  807.830  245.638   7.1308  233.770   11.322 11.86726 13.38021 
1 1 1    7   10   23 o  294.808   13.969 13324.17  1257.00 12575.72  1816.68 14011.61  1741.07  284.836   21.045  301.146   19.040 -16.31012 28.37983 
1 1 1    7   10   24 o  411.635   7.2917 25895.13  916.135 27223.12  1298.32 24578.18  1292.92  421.789   10.085  400.722   10.571 21.06628 14.60984 
1 1 1    7   10   25 o  102.697   2.9572  1609.97   92.696  1397.52  161.952  1713.48  113.044   95.487   5.5811  105.942   3.4959 -10.45480 6.585595 
1 1 1    7   10   26 o  640.295   11.402 62840.67  2228.26 69997.53  3468.17 57809.60  2907.83  674.036   16.858  612.986   15.542 61.05048 22.92885 
1 1 1    7   10   27 o  196.944   5.1731  5925.30  310.966  5876.04  389.162  6012.31  517.204  196.067   6.5029  198.212   8.5490 -2.145660 10.74119 
1 1 1    7   10   28 o  200.257   3.1479  6122.68  192.411  6901.35  281.372  5438.72  263.706  212.570   4.3367  188.697   4.5787 23.87357 6.306458 
1 1 1    7   10   29 o   84.607   2.6250  1092.79   67.788  1151.94   96.750  1035.74   95.007   86.854   3.6496   82.355   3.7796 4.498985 5.254069 
1 1 1    7   10   30 o  372.458   6.5467 21215.38  744.244 21790.44  1053.46 20642.39  1051.58  377.095   9.1528  366.988   9.3880 10.10727 13.11136 
1 1 1    7   10   31 o   64.030   3.7200  628.246   72.389  467.086  140.472  686.520   84.469   54.542   8.7326   66.912   4.1565 -12.36966 9.671304 
1 1 1    7   10   32 o  240.177   5.5999  8818.37  410.516  8852.85  477.054  8719.96  805.860  240.575   6.4968  238.243   11.082 2.331985 12.84606 
1 1 1    7   10   33 o  233.982   3.4598  8360.79  247.091  9067.14  467.800  8087.48  290.996  243.473   6.2949  230.092   4.1435 13.38190 7.536249 
1 1 1    7   10   34 o  198.599   3.5291  6023.72  213.922  6450.30  349.206  5767.47  270.652  205.397   5.5702  194.280   4.5642 11.11653 7.201318 
1 1 1    7   10   35 o  364.422   5.3493 20303.54  595.004 20693.33  979.512 20075.60  749.037  367.356   8.7358  362.175   6.7759 5.181824 11.05568 
1 1 1    7   10   36 o  315.763   4.7803 15239.08  460.714 15553.03  620.719 14853.95  687.481  318.814   6.3788  311.449   7.2320 7.365234 9.643173 
1 1 1    7   10   37 o  112.268   2.2784  1924.20   78.074  1830.02  125.326  1983.94   99.807  109.453   3.7514  113.985   2.8688 -4.532539 4.722603 
1 1 1    7   10   38 o  180.607   2.9545  4981.08  162.867  4953.11  299.516  4992.82  194.065  179.967   5.4527  180.797   3.5167 -0.8295898 6.488367 
1 1 1    7   10   39 o  307.633   4.6722 14465.38  438.706 14754.43  552.530 13972.30  721.647  310.556   5.8291  301.918   7.8310 8.638000 9.762317 
1 1 1    7   10   40 o  211.691   3.3128  6844.45  214.047  7067.01  397.000  6753.24  254.152  214.905   6.0524  210.240   3.9606 4.665375 7.233103 
1 1 1    7   10   41 o   54.551   3.2295  456.075   53.532  422.832  109.229  466.583   61.413   52.072   7.0541   55.144   3.6697 -3.071655 7.951508 
1 1 1    7   10   42 o  250.055   3.8736  9553.06  295.645  9776.94  372.502  9172.01  485.982  252.891   4.8259  244.770   6.5050 8.120926 8.099634 
1 1 1    7   10   43 o   39.997   4.8407  248.137   57.892  303.013  104.186  223.625   69.631   43.763   8.0981   37.725   6.2672 6.038074 10.23998 
1 1 1    7   10   44 o  109.448   2.8841  1829.31   96.346  2017.52  176.362  1749.24  115.027  114.864   5.0304  107.009   3.5218 7.855293 6.140703 
1 1 1    7   10   45 o   63.262   3.2334  612.881   62.226  610.934  124.091  613.534   71.922   62.821   6.5689   63.258   3.7416 -0.4378166 7.559771 
1 1 1    7   10   46 o   44.299   4.2393  302.692   56.620  546.608  198.466  281.081   59.075   58.521   11.521   42.629   4.6139 15.89249 12.41071 
1 1 1    7   10   47 o  273.137   3.8510 11401.00  321.045 11663.70  576.664 11283.00  386.478  275.858   6.8489  271.633   4.6615 4.224213 8.284739 
1 1 1    7   10   48 o  190.799   3.1837  5561.32  185.406  5653.65  343.319  5523.31  220.291  192.147   5.8539  190.106   3.7965 2.041061 6.977238 
1 1 1    7   10   49 o  122.666   2.7346  2298.18  102.385  2378.95  154.125  2234.38  136.975  124.743   4.0480  120.911   3.7116 3.832726 5.491995 
1 1 1    7   10   50 o  217.238   3.4039  7211.85  225.700  7361.51  315.926  7055.85  322.553  219.344   4.7189  214.717   4.9217 4.626541 6.818467 
1 1 1    7   10   51 o  196.755   4.2659  5921.76  256.187  6132.71  717.951  5890.98  274.241  198.324   11.916  196.208   4.5793 2.116104 12.76540 
1 1 1    7   10   52 o  479.082   6.0922 35212.53  890.847 36861.46  1325.10 33852.65  1203.37  488.724   8.8832  468.622   8.4132 20.10199 12.23488 
1 1 1    7   10   53 o  190.228   4.7499  5542.46  275.788  6087.30  625.246  5410.85  307.297  197.757   10.395  187.864   5.3592 9.892883 11.69525 
1 1 1    7   10   54 o  250.922   4.8134  9649.15  368.645 11434.32  992.828  9363.67  397.029  270.189   12.039  247.081   5.2646 23.10808 13.13975 
1 1 1    7   10   55 o  106.779   3.6069  1744.75  117.554  1847.79  193.376  1684.35  148.050  109.502   5.8066  104.823   4.6274 4.678162 7.424878 
1 1 1    7   10   56 o   87.955   3.8144  1184.68  102.400  1282.54  168.045  1126.88  129.148   91.078   6.0799   85.539   4.9680 5.539322 7.851515 
1 1 1    7   10   57 o   35.715   12.983  172.454  183.049  172.454  183.049   0.0000   0.0000   35.715   12.983  ?   ?  0.000000 12.98250 
1 1 1    7   10   58 o   54.938   3.4820  464.089   58.086  379.362  200.970  471.812   60.675   47.869   13.286   55.380   3.6093 -7.510876 13.76725 
1 1 1    7   11    0 o  292.579   12.513 13149.68  1112.82 13149.68  1112.82 13149.68  1112.82  292.579   12.513  292.579   12.513 -0.000000 0.000000 
1 1 1    7   11    1 o  980.771   32.895 149041.20  9847.31 156830.70 17057.63 145147.59 12059.88  990.122   56.679  963.873   40.993 26.24792 69.94915 
1 1 1    7   11    2 o  657.296   27.266 66627.22  5470.06   0.0000   0.0000 66627.22  5470.06  ?   ?   657.296   27.266 0.000000 27.26554 
1 1 1    7   11    3 o  939.170   39.153 137537.00 11223.51   0.0000   0.0000 137537.00 11223.51  ?   ?   939.170   39.153 0.000000 39.15321 
1 1 1    7   11    4 o  648.504   27.042 64850.47  5352.69   0.0000   0.0000 64850.47  5352.69  ?   ?   648.504   27.042 0.000000 27.04224 
1 1 1    7   11    5 o  553.737   13.103 46909.48  2214.62 45685.68  2642.59 49796.90  4059.11  546.155   15.852  569.003   23.372 -22.84814 28.24107 
1 1 1    7   11    6 o  630.628   15.585 60904.95  2999.93 60753.81  3302.91 61617.25  7170.23  629.607   17.187  627.995   37.580 1.613037 41.32407 
1 1 1    7   11    7 o  344.294   9.4287 18113.74  990.834 17670.94  1090.65 20206.02  2370.79  340.007   10.509  362.020   21.553 -22.01315 23.97900 
1 1 1    7   11    8 o   63.366   3.1583  612.870   61.084  590.007   87.232  634.867   85.565   61.994   4.6438   64.340   4.3832 -2.345860 6.385750 
1 1 1    7   11    9 o  751.567   13.347 86430.59  3061.79 88063.93  4554.48 85083.75  4135.79  757.461   19.700  744.847   18.192 12.61334 26.81458 
1 1 1    7   11   10 o  949.968   17.483 138353.50  5069.15 138792.20  7540.28 137991.80  6847.43  948.842   26.036  946.921   23.692 1.920532 35.20197 
1 1 1    7   11   11 o  155.075   4.2230  3671.02  199.887  4042.61  297.149  3363.91  270.142  162.712   5.9833  148.426   5.9630 14.28535 8.447280 
1 1 1    7   11   12 o  520.616   9.6359 41423.04  1531.18 43160.50  2168.03 39693.94  2162.81  531.071   13.375  509.240   13.915 21.83112 19.30066 
1 1 1    7   11   13 o  302.482   7.9780 13977.15  736.564 13977.15  736.564   0.0000   0.0000  302.482   7.9780  ?   ?  0.000000 7.977994 
1 1 1    7   11   14 o  603.179   11.729 55645.96  2159.35 55645.96  2159.35   0.0000   0.0000  603.179   11.729  ?   ?  0.000000 11.72897 
1 1 1    7   11   15 o  245.286   6.0324  9187.36  451.627  9639.70  523.264  7866.27  894.240  251.230   6.8239  226.350   12.998 24.88078 14.68054 
1 1 1    7   11   16 f  715.457   12.382 78321.82  2703.86 79678.12  3825.25 76967.53  3822.43  720.716   17.389  708.289   17.681 12.42639 24.79936 
1 1 1    7   11   17 o  631.402   11.669 60987.87  2248.89 61879.63  3347.29 60254.14  3036.24  635.094   17.268  626.953   15.867 8.140808 23.45056 
1 1 1    7   11   18 o  157.431   4.9003  3784.07  235.464  3852.28  283.259  3631.54  423.595  158.828   5.8430  153.876   9.0591 4.952087 10.77996 
1 1 1    7   11   19 o  299.454   5.7071 13693.85  521.626 13801.07  740.962 13588.51  734.463  300.527   8.0778  298.204   8.0694 2.322906 11.41780 
1 1 1    7   11   20 o  619.857   11.626 58804.71  2199.50 56882.01  2421.54 67869.90  5258.04  609.418   13.018  662.142   26.017 -52.72418 29.09229 
1 1 1    7   11   21 o  416.245   7.8110 26478.87  992.370 27042.34  1406.50 25920.29  1400.37  420.363   10.962  411.530   11.149 8.832916 15.63530 
1 1 1    7   11   22 o  526.167   12.787 42429.12  2053.60 42716.50  2261.53 41078.35  4902.99  527.718   14.041  511.378   31.567 16.33997 34.54850 
1 1 1    7   11   23 o  275.494   7.4099 11601.10  623.080   0.0000   0.0000 11601.10  623.080  ?   ?   275.494   7.4099 0.000000 7.409941 
1 1 1    7   11   24 o  522.851   22.224 42387.19  3546.69   0.0000   0.0000 42387.19  3546.69  ?   ?   522.851   22.224 0.000000 22.22429 
1 1 1    7   11   25 o  125.608   6.7299  2418.65  257.078   0.0000   0.0000  2418.65  257.078  ?   ?   125.608   6.7299 0.000000 6.729937 
1 1 1    7   11   26 o  335.907   6.0032 17244.54  615.485 17465.77  677.729 16203.39  1470.24  338.006   6.5692  324.412   14.848 13.59436 16.23654 
1 1 1    7   11   27 o  229.336   4.7533  8034.56  332.724  7912.25  366.437  8609.05  794.146  227.557   5.2758  236.883   10.984 -9.325363 12.18511 
1 1 1    7   11   28 o  332.295   5.1372 16872.50  521.038 17023.38  661.774 16626.43  845.119  333.652   6.4983  329.518   8.4028 4.134399 10.62233 
1 1 1    7   11   29 o  246.935   4.9540  9317.29  373.384  9128.28  535.052  9496.71  521.306  244.252   7.1770  249.161   6.8548 -4.908707 9.924574 
1 1 1    7   11   30 o  436.536   7.8286 29176.49  1043.08 29071.45  1478.25 29280.66  1472.06  435.032   11.133  436.617   11.046 -1.584656 15.68305 
1 1 1    7   11   31 o  159.423   3.7489  3881.72  182.418  3639.06  268.141  4090.79  248.889  154.281   5.6942  163.610   4.9840 -9.329865 7.567334 
1 1 1    7   11   32 o  121.180   2.4126  2241.78   89.236  2140.08  146.408  2301.89  112.560  118.362   4.0526  122.782   3.0035 -4.419693 5.044279 
1 1 1    7   11   33 o  238.660   4.6445  8703.96  338.326  8606.31  506.021  8782.90  454.970  237.121   6.9917  239.615   6.2209 -2.494263 9.358557 
1 1 1    7   11   34 o  369.240   5.4808 20846.42  617.688 21544.64  832.156 19989.68  921.791  375.101   7.2684  361.116   8.3631 13.98532 11.08023 
1 1 1    7   11   35 o  211.933   4.0698  6862.17  263.266  7540.68  742.748  6764.68  281.545  221.402   10.991  210.404   4.3841 10.99796 11.83322 
1 1 1    7   11   36 o   60.631   2.6432  561.294   48.915  713.494  110.403  524.119   54.563   68.099   5.3547   58.504   3.0663 9.595058 6.170506 
1 1 1    7   11   37 o  313.061   4.6321 14979.69  442.612 15560.56  730.783 14643.16  556.243  318.680   7.5131  309.380   5.8905 9.299927 9.546971 
1 1 1    7   11   38 o  100.250   3.0018  1534.76   91.850  1494.02  113.643  1611.51  155.978   98.892   3.7650  102.668   4.9775 -3.775658 6.241039 
1 1 1    7   11   39 o   68.822   5.1014  728.177  106.398  719.300  116.318  773.662  263.297   68.344   5.6260   69.713   12.848 -1.368904 14.02536 
1 1 1    7   11   40 o  112.775   3.3649  1942.57  115.824  1957.88  270.655  1939.14  128.151  112.732   7.9161  112.665   3.7266 0.6684875E-01 8.749472 
1 1 1    7   11   41 o  177.664   2.9713  4820.29  161.126  4992.62  227.735  4647.55  227.999  180.757   4.1278  174.390   4.2835 6.366913 5.948684 
1 1 1    7   11   42 o  157.035   3.5313  3766.96  169.257  4219.17  507.128  3710.27  179.553  165.329   10.098  155.838   3.7749 9.490631 10.78060 
1 1 1    7   11   43 o  100.793   3.6251  1552.02  111.525  1777.65  184.247  1421.55  140.107  107.646   5.6273   96.427   4.7604 11.21908 7.370700 
1 1 1    7   11   44 o  114.618   3.1670  2006.56  110.795  2098.49  165.957  1932.64  148.816  117.159   4.6409  112.446   4.3360 4.712173 6.351285 
1 1 1    7   11   45 o  253.564   5.7848  9840.63  447.708 10819.94  795.545  9386.71  541.617  265.156   9.8298  247.454   7.1710 17.70222 12.16755 
1 1 1    7   11   46 o  258.673   4.8101 10233.33  379.774 10693.28  543.589  9794.76  530.803  264.151   6.7422  252.787   6.8796 11.36316 9.632533 
1 1 1    7   11   47 o   37.708   3.9753  219.743   45.064  304.697  124.470  206.928   48.344   43.646   9.6040   36.521   4.4274 7.124809 10.57533 
1 1 1    7   11   48 o  198.429   3.0778  6015.02  186.410  6240.64  271.513  5813.83  256.385  202.010   4.4035  194.988   4.3079 7.021591 6.160293 
1 1 1    7   11   49 o  177.615   4.5484  4826.02  246.581  4766.73  260.096  5352.42  775.017  176.494   4.8282  184.751   13.845 -8.256241 14.66226 
1 1 1    7   11   50 f  133.863   4.5246  2741.81  184.866  2870.59  413.372  2709.61  206.686  135.926   10.035  133.029   5.0903 2.897049 11.25192 
1 1 1    7   11   51 o  108.824   2.9331  1809.52   97.425  1979.58  187.709  1746.82  113.979  113.659   5.4108  106.895   3.4934 6.763321 6.440576 
1 1 1    7   11   52 o  195.685   3.6141  5855.86  215.861  6309.88  350.222  5577.72  274.119  202.829   5.6571  190.845   4.7059 11.98322 7.358574 
1 1 1    7   11   53 o  123.718   3.0485  2339.73  115.116  2621.79  341.258  2303.52  122.283  129.934   8.6544  122.742   3.2640 7.192093 9.249429 
1 1 1    7   11   54 o   77.489   4.8669  924.331  114.524  971.473  136.325  811.273  211.117   79.329   5.6676   71.558   9.9339 7.770699 11.43696 
1 1 1    7   11   55 o   49.344   7.3784  384.195  107.713  339.580  139.429  450.232  169.633   45.757   10.239   52.684   10.908 -6.927048 14.96097 
1 1 1    7   11   56 o  197.193   6.7788  6005.03  408.004  6005.03  408.004   0.0000   0.0000  197.193   6.7788  ?   ?  0.000000 6.778832 
1 1 1    7   11   57 o   73.256   7.7049  841.648  169.695  841.648  169.695   0.0000   0.0000   73.256   7.7049  ?   ?  0.000000 7.704909 
1 1 1    7   12    0 o  706.529   42.465 78004.30  9081.79 78004.30  9081.79 78004.30  9081.79  706.529   42.465  706.529   42.465 0.000000 0.000000 
1 1 1    7   12    1 o  451.016   15.276 31152.33  2102.95 35796.96  3646.37 28837.54  2574.19  481.453   24.899  433.465   19.457 47.98798 31.59926 
1 1 1    7   12    2 o  462.615   28.130 33166.95  3953.16   0.0000   0.0000 33166.95  3953.16  ?   ?   462.615   28.130 0.000000 28.13029 
1 1 1    7   12    3 o  331.746   7.2012 16808.91  729.169 17971.21  869.098 14045.67  1340.04  342.980   8.3020  302.894   14.495 40.08688 16.70394 
1 1 1    7   12    4 o  466.184   10.578 33222.89  1505.17 33460.13  1795.44 32661.89  2760.92  467.681   12.578  461.280   19.610 6.401184 23.29681 
1 1 1    7   12    5 o  397.296   9.3703 24121.00  1136.27 24000.71  1355.22 24405.71  2084.95  396.190   11.207  399.010   17.120 -2.820770 20.46162 
1 1 1    7   12    6 o   92.137   6.6004  1303.07  184.390  1108.57  339.383  1384.53  219.635   84.031   13.705   94.899   7.6476 -10.86787 15.69405 
1 1 1    7   12    7 o  819.862   19.004 103154.10  4755.56 118931.30 12327.88 100395.90  5154.52  867.118   46.752  808.359   20.891 58.75970 51.20747 
1 1 1    7   12    8 o  424.318   14.367 27565.56  1860.73 29732.16  3230.60 26489.99  2276.21  438.733   24.219  415.584   17.945 23.14874 30.14228 
1 1 1    7   12    9 o  436.969   10.996 29195.55  1466.50 27260.12  1749.01 33777.70  2691.15  422.026   13.578  469.152   18.793 -47.12643 23.18524 
1 1 1    7   12   10 o  358.430   9.1090 19632.40  996.530 18630.85  1188.29 22006.41  1829.48  349.052   11.154  378.977   15.816 -29.92447 19.35327 
1 1 1    7   12   11 o  804.764   18.153 99369.54  4458.84 101705.80  4909.60 88370.57 10652.73  813.765   19.767  746.299   47.006 67.46545 50.99317 
1 1 1    7   12   12 o  858.480   21.501 113341.10  5633.88 112375.20  6203.41 117889.00 13460.29  854.079   23.797  858.684   51.597 -4.605042 56.82008 
1 1 1    7   12   13 o  569.655   18.724 49821.37  3255.54 51733.97  3993.23 46030.52  5621.87  579.701   22.568  542.800   34.107 36.90192 40.89735 
1 1 1    7   12   14 o  425.612   10.587 27699.84  1375.33 27313.83  1490.71 29907.84  3565.29  422.556   11.558  439.133   26.727 -16.57751 29.11931 
1 1 1    7   12   15 o  533.152   12.225 43499.75  1989.32 43423.62  2156.22 43935.23  5156.84  532.555   13.265  530.647   31.989 1.907654 34.62999 
1 1 1    7   12   16 o  362.792   7.2904 20107.12  807.280 19800.43  1145.48 20409.77  1137.89  359.821   10.430  365.332   10.205 -5.511078 14.59174 
1 1 1    7   12   17 o  636.281   16.393 62126.07  3183.55 61101.60  3505.19 66952.32  7607.92  630.608   18.211  651.518   38.428 -20.90961 42.52493 
1 1 1    7   12   18 o  162.037   4.4618  4008.71  220.670  4205.72  254.243  3407.07  444.310  165.961   5.0191  148.935   9.8293 17.02597 11.03656 
1 1 1    7   12   19 o  425.628   7.2130 27681.31  937.054 27389.55  1383.99 27928.27  1273.31  423.062   10.718  427.302   9.7630 -4.239838 14.49791 
1 1 1    7   12   20 o  152.684   4.7493  3559.84  221.329  3114.60  274.001  4395.85  375.453  142.785   6.2872  169.600   7.2529 -26.81577 9.598588 
1 1 1    7   12   21 o  313.816   5.9867 15044.93  573.429 14814.27  892.348 15207.18  748.411  311.163   9.3957  315.390   7.7745 -4.227112 12.19519 
1 1 1    7   12   22 o  366.811   8.5015 20581.94  951.824 19214.74  1215.55 22748.97  1530.34  354.108   11.247  385.033   13.022 -30.92493 17.20619 
1 1 1    7   12   23 o  158.925   7.4379  3862.18  360.794  3256.29  653.797  4127.49  432.634  144.727   15.019  164.007   8.6734 -19.27907 17.34366 
1 1 1    7   12   24 o  320.788   14.279 15831.52  1398.10   0.0000   0.0000 15831.52  1398.10  ?   ?   320.788   14.279 0.000000 14.27914 
1 1 1    7   12   25 o  202.367   5.7423  6258.72  354.687  6134.41  425.161  6543.25  643.249  200.281   6.9550  206.599   10.201 -6.318069 12.34621 
1 1 1    7   12   26 o  291.991   7.9848 13050.28  711.625 12951.00  783.886 13515.47  1696.90  290.782   8.8322  294.541   18.976 -3.759277 20.93100 
1 1 1    7   12   27 o  122.004   4.5534  2273.97  169.561   0.0000   0.0000  2273.97  169.561  ?   ?   122.004   4.5534 0.000000 4.553380 
1 1 1    7   12   28 o  178.563   4.0358  4870.12  219.960  4825.62  242.015  5081.46  527.381  177.729   4.4614  181.796   9.5376 -4.067780 10.52949 
1 1 1    7   12   29 o  193.901   4.4323  5743.98  262.315  6052.74  380.461  5464.23  362.154  198.938   6.2658  189.018   6.2773 9.919449 8.869304 
1 1 1    7   12   30 o  326.988   6.7899 16360.40  677.664 15577.44  963.386 17127.25  953.416  318.596   9.9070  334.171   9.3475 -15.57529 13.62077 
1 1 1    7   12   31 o  170.296   3.8845  4429.81  201.910  4309.40  231.748  4809.16  411.356  167.938   4.5211  177.212   7.6052 -9.273300 8.847549 
1 1 1    7   12   32 o  355.731   5.4167 19347.43  588.130 19585.45  793.442 19057.19  876.181  357.651   7.2684  352.648   8.1402 5.003357 10.91296 
1 1 1    7   12   33 o  194.134   2.8688  5754.72  169.986  5553.91  277.025  5875.98  215.279  190.628   4.7612  196.139   3.5960 -5.511246 5.966592 
1 1 1    7   12   34 o  136.391   2.3024  2839.98   95.846  3049.07  154.953  2710.40  121.982  141.287   3.5932  133.227   2.9998 8.059891 4.680773 
1 1 1    7   12   35 o  390.995   5.6249 23382.27  671.274 22526.55  885.224 24540.16  1029.73  383.432   7.5639  400.009   8.4340 -16.57697 11.32899 
1 1 1    7   12   36 o  135.352   2.3705  2797.00   97.930  2907.32  157.737  2727.80  124.921  137.954   3.7461  133.650   3.0623 4.304581 4.838521 
1 1 1    7   12   37 o  144.836   4.5798  3206.29  202.461  3223.00  362.546  3198.72  244.063  144.734   8.2409  144.614   5.5294 0.1200562 9.924045 
1 1 1    7   12   38 o  248.365   6.1422  9440.19  465.620  9595.87  533.653  8943.74  952.992  250.303   6.9851  240.234   13.046 10.06880 14.79811 
1 1 1    7   12   39 o  164.794   3.6327  4148.53  182.721  4191.99  497.955  4141.76  196.423  164.836   9.9439  164.646   3.9086 0.1898956 10.68454 
1 1 1    7   12   40 o  215.211   3.0248  7073.23  198.689  7769.31  290.552  6461.80  272.311  225.479   4.2218  205.624   4.3388 19.85425 6.053871 
1 1 1    7   12   41 o  203.315   2.9084  6312.61  180.487  5965.31  378.573  6414.77  205.324  197.407   6.2830  204.935   3.2825 -7.528168 7.088819 
1 1 1    7   12   42 o  412.042   6.4227 25995.40  807.745 26801.52  3156.14 25938.90  835.573  407.965   25.474  411.544   6.6520 -3.579315 26.32804 
1 1 1    7   12   43 o  201.938   3.6218  6230.11  223.236  6610.32  371.559  6015.34  279.257  207.825   5.8575  198.359   4.6125 9.465881 7.455565 
1 1 1    7   12   44 o   84.241   2.9847  1083.86   76.744  1092.83  145.233  1080.38   90.396   84.313   5.6766   84.093   3.5219 0.2204819 6.680347 
1 1 1    7   12   45 o  282.837   3.8635 12225.43  333.527 12750.77  466.076 11674.04  477.488  288.676   5.2897  276.166   5.6647 12.50986 7.750450 
1 1 1    7   12   46 o   82.356   3.8679  1036.64   97.227  1289.88  169.025  911.404  118.861   91.567   6.0824   77.013   5.0852 14.55373 7.928075 
1 1 1    7   12   47 o  102.218   2.7706  1595.86   86.439  1603.58  141.423  1591.26  109.214  102.394   4.5251  102.045   3.5065 0.3494873 5.724657 
1 1 1    7   12   48 o  112.628   2.9934  1937.90  102.901  2143.21  200.685  1864.67  119.857  118.294   5.5582  110.456   3.5551 7.837761 6.597956 
1 1 1    7   12   49 o  118.139   2.6566  2131.88   95.794  2079.72  145.931  2171.37  126.983  116.613   4.1000  119.189   3.4905 -2.576561 5.384577 
1 1 1    7   12   50 o  120.517   2.7379  2218.91  100.711  2436.28  153.320  2053.95  133.568  126.209   3.9801  115.896   3.7759 10.31261 5.486185 
1 1 1    7   12   51 f  204.248   3.6775  6379.95  229.260  6336.02  691.577  6385.37  243.001  201.469   11.292  204.308   3.8968 -2.839905 11.94542 
1 1 1    7   12   52 o  254.491   3.6430  9907.00  282.976 10524.33  531.315  9662.55  334.340  261.591   6.6544  251.206   4.3606 10.38589 7.955879 
1 1 1    7   12   53 o  120.591   3.0670  2223.49  112.889  2544.15  191.215  2051.93  139.865  128.811   4.8635  115.773   3.9581 13.03786 6.270588 
1 1 1    7   12   54 o  102.904   3.2165  1619.83  101.025  1632.02  317.623  1618.46  106.559  101.687   10.379  102.847   3.3945 -1.159676 10.92013 
1 1 1    7   12   55 o  118.170   2.5607  2134.65   92.360  2200.02  193.275  2115.30  105.142  119.638   5.2928  117.603   2.9292 2.035973 6.049295 
1 1 1    7   12   56 o   25.364   7.4380  101.503   61.321  136.887  136.968   92.632   68.578   31.514   11.259   24.736   7.9805 6.778288 13.80059 
1 1 1    7   12   57 o   90.015   18.068  1398.73  479.152  1398.73  479.152   0.0000   0.0000   90.015   18.068  ?   ?  0.000000 18.06779 
1 1 1    7   13    0 o  415.655   25.728 26803.59  3235.35 26803.59  3235.35 26803.59  3235.35  415.655   25.728  415.655   25.728 0.000000 0.000000 
1 1 1    7   13    1 o  246.995   11.617  9330.58  875.794 10571.14  1239.57  8094.06  1237.55  262.221   15.557  229.027   17.844 33.19429 23.67382 
1 1 1    7   13    2 o  107.210   4.6424  1754.73  151.914  1688.58  164.095  2151.26  401.789  105.166   5.1121  118.070   11.287 -12.90424 12.39037 
1 1 1    7   13    3 o  499.472   20.542 38333.34  3131.69 42397.41  4432.62 34282.96  4425.15  523.076   27.864  469.319   31.067 53.75699 41.73248 
1 1 1    7   13    4 o  278.545   10.274 11861.15  873.460 12070.56  1520.10 11757.93  1067.24  279.944   17.884  277.209   12.614 2.734131 21.88446 
1 1 1    7   13    5 o  314.231   11.005 15099.07  1055.47 17391.55  1838.36 13971.82  1289.10  336.212   17.979  302.089   13.981 34.12305 22.77558 
1 1 1    7   13    6 o  291.614   7.0124 12988.48  624.158 12937.41  743.225 13110.68  1149.67  290.989   8.3681  292.699   12.869 -1.709656 15.35018 
1 1 1    7   13    7 o  652.105   13.924 65108.96  2771.37 66809.72  3307.09 61097.58  5078.94  660.147   16.413  629.025   26.454 31.12244 31.13181 
1 1 1    7   13    8 f  506.851   9.1819 39262.29  1420.46 43115.75  2113.25 36086.32  1918.52  530.751   13.045  485.572   12.945 45.17880 18.37767 
1 1 1    7   13    9 o  431.690   10.583 28495.81  1394.39 28772.72  1534.89 27187.61  3336.10  433.697   11.595  418.771   26.233 14.92618 28.68095 
1 1 1    7   13   10 o  1021.48   24.193 160909.30  7542.85 162442.70  8305.46 153690.80 18020.09  1025.26   26.541  969.984   61.180 55.27271 66.68845 
1 1 1    7   13   11 o  654.865   27.906 66388.77  5577.82 63740.66  7893.78 69029.45  7882.70  635.319   40.925  662.163   39.177 -26.84393 56.65433 
1 1 1    7   13   12 o  516.461   17.506 40944.49  2759.55 43193.88  4787.26 39825.12  3377.08  526.726   29.901  508.548   21.757 18.17795 36.97833 
1 1 1    7   13   13 o   72.538   4.2174  806.002   92.972  852.662   98.374  415.845  284.464   74.607   4.3387   52.205   16.180 22.40211 16.75115 
1 1 1    7   13   14 o  636.789   38.716 64030.10  7489.20   0.0000   0.0000 64030.10  7489.20  ?   ?   636.789   38.716 0.000000 38.71580 
1 1 1    7   13   15 o  264.832   5.4617 10710.62  441.489 10422.95  660.097 10943.46  593.861  261.140   8.2817  267.628   7.2700 -6.487518 11.01995 
1 1 1    7   13   16 f  459.761   8.7044 32316.80  1221.48 31317.87  1819.12 33136.98  1648.35  452.078   13.183  465.236   11.608 -13.15799 17.56561 
1 1 1    7   13   17 o  395.621   12.378 23979.86  1494.72 22304.41  2120.79 25633.55  2106.98  380.676   18.253  408.344   16.905 -27.66794 24.87846 
1 1 1    7   13   18 o  517.530   11.052 41014.77  1745.84 41174.92  2028.11 40556.55  3430.53  518.234   12.822  512.070   21.949 6.164490 25.41960 
1 1 1    7   13   19 o  390.261   7.3979 23282.37  881.211 23858.20  1310.50 22807.11  1190.56  394.672   10.879  385.977   10.106 8.695801 14.84847 
1 1 1    7   13   20 o  167.836   6.6006  4305.22  338.130  4887.89  688.828  4120.25  388.106  178.026   12.761  164.146   7.7465 13.88075 14.92860 
1 1 1    7   13   21 o  313.482   6.0428 15017.46  578.188 15251.92  860.323 14824.34  780.810  315.668   8.9292  311.281   8.2182 4.386322 12.13548 
1 1 1    7   13   22 o  305.544   8.0930 14285.04  754.749 13241.82  898.664 16782.46  1390.45  293.970   10.016  330.349   13.790 -36.37943 17.04342 
1 1 1    7   13   23 o  549.565   10.200 46301.72  1710.87 43548.08  2421.69 49045.57  2417.38  531.601   14.925  564.475   14.031 -32.87421 20.48465 
1 1 1    7   13   24 o  142.044   3.0255  3080.50  131.172  3348.81  164.196  2607.20  218.077  148.087   3.6327  130.614   5.4702 17.47343 6.566554 
1 1 1    7   13   25 o  163.665   12.961  4147.19  642.157   0.0000   0.0000  4147.19  642.157  ?   ?   163.665   12.961 0.000000 12.96090 
1 1 1    7   13   26 o  209.210   6.2748  6693.36  400.684  6637.21  441.581  6955.08  953.329  208.283   6.9461  211.765   14.843 -3.482483 16.38798 
1 1 1    7   13   27 o   48.087   7.8662  363.239  111.461  337.271  128.124  444.048  226.018   46.068   9.4296   52.718   13.862 -6.650013 16.76542 
1 1 1    7   13   28 o  132.711   5.0266  2691.67  203.610  2734.68  226.378  2509.55  465.842  133.746   5.5455  127.136   12.153 6.609734 13.35822 
1 1 1    7   13   29 o  253.685   5.3343  9838.07  413.041  9727.86  619.660  9926.18  554.082  251.989   8.0567  254.650   7.1287 -2.661667 10.75773 
1 1 1    7   13   30 o  293.250   4.7529 13142.17  425.420 13165.28  721.657 13129.86  526.662  293.124   8.0661  293.003   5.8890 0.1206055 9.987112 
1 1 1    7   13   31 o  168.660   3.1829  4344.05  163.852  4360.31  217.110  4322.54  249.745  168.934   4.2106  168.169   4.8656 0.7654266 6.434515 
1 1 1    7   13   32 o  302.796   5.2816 14018.29  488.122 13665.93  725.540 14309.66  659.757  298.613   7.9604  305.701   7.0708 -7.088104 10.64729 
1 1 1    7   13   33 o  120.099   2.8484  2202.46  104.413  2222.37  138.589  2176.33  158.790  120.615   3.7645  119.339   4.3594 1.276031 5.759821 
1 1 1    7   13   34 o   94.639   2.8571  1367.67   82.530  1354.13  154.367  1373.08   97.659   93.944   5.4064   94.815   3.3746 -0.8712463 6.373100 
1 1 1    7   13   35 o  162.252   3.1863  4020.57  157.793  4019.22  199.866  4022.80  257.094  162.189   4.0374  162.198   5.1931 -0.9201050E-02 6.577943 
1 1 1    7   13   36 o  161.195   5.3558  3973.85  263.506  4587.13  717.971  3878.38  283.274  171.629   13.823  159.216   5.8291 12.41347 15.00162 
1 1 1    7   13   37 o   95.202   3.6290  1384.55  105.450  1454.87  142.706  1299.96  156.507   97.554   4.7927   92.016   5.5991 5.537529 7.370221 
1 1 1    7   13   38 f  222.539   6.4382  7581.51  437.306  7560.04  753.082  7592.43  537.148  221.253   11.188  222.523   7.9087 -1.269623 13.70096 
1 1 1    7   13   39 o  364.258   4.4684 20280.00  496.795 20648.66  779.205 20027.50  644.857  367.157   6.9532  361.788   5.8397 5.368256 9.080137 
1 1 1    7   13   40 o   88.153   3.1939  1186.88   85.936  1258.32  320.678  1181.36   89.199   89.521   12.042   87.945   3.3230 1.576424 12.49172 
1 1 1    7   13   41 o  375.885   9.0674 21706.14  1040.29 21260.40  2704.56 21783.54  1127.00  363.793   24.500  376.342   9.8112 -12.54913 26.39123 
1 1 1    7   13   42 o  152.213   3.7057  3539.95  172.163  3727.06  241.053  3345.13  245.974  156.106   5.0591  147.866   5.4501 8.240372 7.436276 
1 1 1    7   13   43 o  147.728   3.1388  3333.44  141.528  3586.42  240.930  3200.15  174.881  153.117   5.1553  144.707   3.9595 8.410553 6.500321 
1 1 1    7   13   44 o   44.598   3.6875  306.005   49.746  403.311   90.770  264.234   59.472   50.980   5.9451   41.288   4.8094 9.692684 7.646867 
1 1 1    7   13   45 f  386.055   6.9443 22855.49  818.268 24393.91  2078.19 22573.23  890.175  393.916   17.285  383.478   7.6053 10.43777 18.88399 
1 1 1    7   13   46 o  270.704   4.3261 11206.18  357.447 11779.08  612.089 10909.68  440.331  277.034   7.2388  266.948   5.4043 10.08600 9.033590 
1 1 1    7   13   47 o  189.511   3.5755  5489.15  206.817  6084.50  337.116  5129.84  261.893  199.314   5.5415  183.105   4.6860 16.20944 7.257183 
1 1 1    7   13   48 o  260.711   3.8564 10392.81  306.871 10419.04  434.483 10366.70  433.482  260.792   5.4584  260.136   5.4595 0.6561584 7.720100 
1 1 1    7   13   49 f  112.416   3.5401  1932.02  121.467  2079.09  175.511  1796.82  168.278  116.520   4.9350  108.310   5.0903 8.209831 7.089802 
1 1 1    7   13   50 o   98.988   2.9975  1497.49   90.566  1473.22  168.522  1507.34  107.392   97.845   5.6672   99.286   3.5438 -1.440964 6.683961 
1 1 1    7   13   51 o  288.002   5.3513 12722.02  470.401 14684.53  1204.23 12368.65  511.000  305.757   12.904  283.821   5.8987 21.93594 14.18809 
1 1 1    7   13   52 o  111.847   2.7804  1912.08   94.919  2102.41  213.290  1865.08  105.993  116.802   6.0031  110.440   3.1444 6.362007 6.776712 
1 1 1    7   13   53 o  156.877   3.7451  3767.73  179.324  4492.49  441.072  3624.21  196.278  170.190   8.4910  153.800   4.1812 16.39043 9.464625 
1 1 1    7   13   54 o  158.880   2.8103  3860.12  136.282  4434.61  274.367  3671.95  157.022  169.860   5.2921  154.898   3.3212 14.96176 6.247908 
1 1 1    7   13   55 o  139.306   3.8628  2974.11  164.243  3079.30  173.798  2095.54  502.275  141.723   4.0178  112.874   14.947 28.84888 15.47723 
1 1 1    7   13   56 o   93.003   7.9177  1354.92  222.617  1440.34  272.364  1183.01  386.395   95.392   9.4800   83.801   15.683 11.59119 18.32561 
1 1 1    7   14    0 f  566.595   15.429 49204.30  2663.84 49204.30  2663.84 49204.30  2663.84  566.595   15.429  566.595   15.429 0.000000 0.000000 
1 1 1    7   14    1 o  491.442   16.922 37050.32  2538.24 33985.02  4396.68 38582.65  3108.59  466.845   31.032  500.925   20.332 -34.07990 37.09972 
1 1 1    7   14    2 o  575.641   19.691 50928.45  3459.67 51643.91  5994.08 50571.03  4236.58  574.598   34.335  572.578   24.242 2.019653 42.03011 
1 1 1    7   14    3 o  781.034   19.837 93770.55  4729.00 91566.35  5206.24 104166.70 11306.63  771.124   22.120  809.410   45.956 -38.28577 51.00237 
1 1 1    7   14    4 o  384.686   10.655 22631.74  1251.05 20859.67  1375.72 31100.52  3007.47  369.197   12.208  449.421   21.925 -80.22412 25.09441 
1 1 1    7   14    5 o   98.480   8.9474  1494.48  266.008  1290.65  405.418  1648.57  352.494   90.549   15.208  103.186   11.382 -12.63765 18.99553 
1 1 1    7   14    6 o  521.217   21.927 41841.74  3488.29 43688.56  4934.96 39997.57  4931.42  529.452   30.669  506.014   32.096 23.43805 44.39295 
1 1 1    7   14    7 o  253.210   12.340  9813.87  953.737  8257.13  1358.32 11327.65  1339.45  230.952   19.450  271.264   16.253 -40.31215 25.34685 
1 1 1    7   14    8 o  398.258   16.800 24342.49  2042.17 25881.97  2896.10 22819.97  2880.10  408.957   23.298  383.580   24.732 25.37738 33.97740 
1 1 1    7   14    9 o  213.245   10.177  6954.63  662.380  7613.20  956.150  6346.93  918.478  222.447   14.156  202.924   14.934 19.52290 20.57732 
1 1 1    7   14   10 o  512.937   17.334 40410.19  2713.74 43255.24  4706.62 38993.35  3321.43  526.775   29.390  502.971   21.635 23.80402 36.49481 
1 1 1    7   14   11 o  168.872   7.4889  4357.58  386.007  5053.53  684.734  4033.38  467.344  181.235   12.454  162.132   9.4852 19.10306 15.65474 
1 1 1    7   14   12 o  275.481   18.174 11720.96  1519.57   0.0000   0.0000 11720.96  1519.57  ?   ?   275.481   18.174 0.000000 18.17434 
1 1 1    7   14   13 o  525.263   21.718 42600.65  3481.94   0.0000   0.0000 42600.65  3481.94  ?   ?   525.263   21.718 0.000000 21.71839 
1 1 1    7   14   14 o  220.632   15.340  7510.96  1026.61   0.0000   0.0000  7510.96  1026.61  ?   ?   220.632   15.340 0.000000 15.34012 
1 1 1    7   14   15 o  358.038   9.2733 19611.62  1013.40 19526.06  1114.95 20018.13  2430.27  357.161   10.228  358.965   22.291 -1.804382 24.52576 
1 1 1    7   14   16 o   68.921   4.4095  728.315   92.272  1076.12  311.662  694.899   96.603   82.817   12.738   67.289   4.7337 15.52781 13.58878 
1 1 1    7   14   17 o  423.508   10.045 27464.83  1298.42 29757.89  3379.25 27067.66  1406.38  436.152   25.495  420.299   10.963 15.85352 27.75239 
1 1 1    7   14   18 o  134.362   4.6708  2757.29  191.552  2592.90  222.191  3233.11  378.016  130.273   5.5880  145.106   8.5731 -14.83374 10.23347 
1 1 1    7   14   19 o  278.660   7.1502 11874.28  608.151 11430.56  722.782 12949.94  1125.35  273.276   8.6654  290.383   12.697 -17.10715 15.37215 
1 1 1    7   14   20 o  221.570   5.5989  7502.15  378.642  8198.22  783.858  7290.30  432.441  231.171   11.109  218.370   6.4881 12.80147 12.86516 
1 1 1    7   14   21 o  466.476   8.8058 33325.21  1253.76 32411.61  1380.09 37641.41  2999.71  459.838   9.8330  492.200   19.967 -32.36197 22.25716 
1 1 1    7   14   22 o  461.972   8.5996 32686.21  1212.58 32758.13  1275.27 32008.25  3915.71  462.394   9.0359  448.296   28.769 14.09793 30.15481 
1 1 1    7   14   23 o  171.888   4.8876  4514.46  256.426  4229.62  706.751  4557.64  275.177  165.051   14.166  172.694   5.2206 -7.642715 15.09775 
1 1 1    7   14   24 f  309.958   8.1688 14713.69  772.816 13746.02  920.233 17029.26  1423.52  299.319   10.073  332.319   14.034 -33.00067 17.27491 
1 1 1    7   14   25 o  350.938   8.1346 18863.62  871.331 18217.82  1012.07 20713.36  1712.83  344.629   9.6215  366.051   15.330 -21.42264 18.09962 
1 1 1    7   14   26 o  104.452   3.1844  1666.00  101.523  1755.21  334.130  1656.92  106.561  106.413   10.421  104.164   3.3517 2.249092 10.94680 
1 1 1    7   14   27 o  336.274   14.495 17473.27  1487.75 18907.59  2134.35 16117.76  2074.89  347.234   20.226  320.006   21.366 27.22842 29.42107 
1 1 1    7   14   28 o  346.216   12.343 18465.34  1304.37 19458.73  2298.68 17993.57  1584.10  351.468   21.532  340.936   15.223 10.53207 26.36925 
1 1 1    7   14   29 f  156.739   10.259  3790.38  488.086  3585.76  774.811  3925.00  628.456  150.957   17.119  158.982   13.067 -8.025070 21.53585 
1 1 1    7   14   30 o  418.830   12.698 27058.82  1623.29 26740.98  3281.65 27161.79  1867.81  408.426   26.467  418.906   14.608 -10.47989 30.23087 
1 1 1    7   14   31 o  206.459   4.2466  6513.20  267.605  6680.72  383.665  6354.49  373.442  208.966   6.0153  203.801   6.0034 5.164902 8.498544 
1 1 1    7   14   32 o  131.525   3.4360  2642.24  137.936  2484.74  201.245  2781.78  189.432  127.478   5.1722  134.909   4.6004 -7.431610 6.922087 
1 1 1    7   14   33 o   61.498   3.6020  579.705   67.317  566.946  102.419  589.409   89.321   60.625   5.5982   61.913   4.7632 -1.287876 7.350362 
1 1 1    7   14   34 o  125.996   2.8794  2424.22  110.735  2362.44  198.230  2452.24  133.508  124.293   5.2252  126.706   3.4522 -2.412468 6.262639 
1 1 1    7   14   35 o  236.135   5.7144  8530.47  411.857  9254.35  832.618  8295.97  473.893  245.112   11.129  232.763   6.6704 12.34865 12.97511 
1 1 1    7   14   36 o  380.745   8.1616 22235.44  948.482 22704.95  1100.96 20883.80  1868.02  384.433   9.3828  366.060   16.719 18.37256 19.17192 
1 1 1    7   14   37 o  144.859   4.0204  3206.40  177.761  2046.88  521.046  3359.13  189.107  113.810   15.395  148.262   4.1789 -34.45258 15.95181 
1 1 1    7   14   38 o  328.351   5.2695 16489.24  528.115 16615.97  692.222 16312.75  816.902  329.359   6.8859  326.088   8.2076 3.271088 10.71357 
1 1 1    7   14   39 o  184.136   7.0191  5194.82  394.490  5711.19  784.509  5020.06  456.388  191.606   13.501  180.875   8.2668 10.73059 15.83071 
1 1 1    7   14   40 o  202.520   7.3903  6287.56  456.819  6471.15  902.490  6224.31  529.688  203.629   14.618  201.335   8.6195 2.293350 16.96996 
1 1 1    7   14   41 o  213.162   5.2350  6950.78  340.602  7092.87  368.913  6130.15  886.561  215.291   5.6141  198.041   14.773 17.25052 15.80395 
1 1 1    7   14   42 o  270.103   5.2988 11162.37  436.846 11269.81  459.567 10155.76  1406.70  271.367   5.5485  253.529   18.302 17.83795 19.12409 
1 1 1    7   14   43 o   47.812   4.4026  352.464   63.526  368.280  119.583  346.246   74.980   48.272   8.4226   47.276   5.2868 0.9960060 9.944376 
1 1 1    7   14   44 o  214.975   3.3254  7060.89  218.198  7308.19  324.395  6856.56  294.869  218.566   4.8627  211.736   4.5627 6.830399 6.668088 
1 1 1    7   14   45 o  168.805   3.1391  4353.44  161.736  4380.18  211.673  4315.92  250.711  169.258   4.0973  167.946   4.8909 1.312363 6.380330 
1 1 1    7   14   46 o   50.521   5.6385  395.813   85.463  399.882   92.588  372.388  222.165   50.715   6.1040   48.352   14.151 2.362633 15.41174 
1 1 1    7   14   47 f  107.829   3.2717  1776.91  107.678  1889.36  126.630  1483.27  204.619  111.165   3.7321   98.047   6.8810 13.11829 7.827948 
1 1 1    7   14   48 o  185.471   5.1530  5269.73  291.709  5629.43  515.985  5100.76  353.649  190.992   8.8512  182.294   6.3560 8.698792 10.89693 
1 1 1    7   14   49 o  163.207   4.4964  4078.12  223.986  4251.84  265.964  3654.37  415.389  166.553   5.2318  153.531   8.9025 13.02206 10.32599 
1 1 1    7   14   50 o  126.717   4.2015  2458.21  162.501  2355.31  470.076  2472.18  173.178  121.843   12.833  127.050   4.4658 -5.207016 13.58783 
1 1 1    7   14   51 o  148.021   2.6505  3348.49  119.748  3381.98  241.115  3337.53  137.966  148.441   5.3217  147.744   3.0595 0.6974640 6.138501 
1 1 1    7   14   52 o  117.001   2.9420  2093.25  105.062  2332.97  380.328  2073.45  109.316  121.759   10.331  116.435   3.0760 5.324295 10.77952 
1 1 1    7   14   53 o   61.832   3.1135  586.389   58.572  583.051  141.102  587.084   64.381   60.871   7.7720   61.837   3.4245 -0.9658890 8.493030 
1 1 1    7   14   54 o  175.153   5.4433  4721.41  291.000  4731.76  316.847  4665.62  735.596  175.209   5.9248  169.443   14.358 5.766052 15.53263 
1 1 1    7   14   55 o   61.446   12.948  626.477  235.184  626.477  235.184   0.0000   0.0000   61.446   12.948  ?   ?  0.000000 12.94842 
1 1 1    7   15    0 o  434.365   26.801 29336.99  3522.21 29336.99  3522.21 29336.99  3522.21  434.365   26.801  434.365   26.801 0.000000 0.000000 
1 1 1    7   15    1 o  417.177   17.921 26749.36  2281.89 26703.11  3228.19 26795.55  3225.97  414.526   25.641  415.264   25.576 -0.7388611 36.21576 
1 1 1    7   15    2 o  393.587   16.685 23788.06  2004.36   0.0000   0.0000 23788.06  2004.36  ?   ?   393.587   16.685 0.000000 16.68466 
1 1 1    7   15    3 o  204.790   4.5761  6403.37  286.036  6859.67  405.118  5949.79  403.915  211.917   6.2632  197.350   6.7056 14.56712 9.175668 
1 1 1    7   15    4 o  244.330   11.056  9136.02  824.484  1952.96  1163.14 16390.21  1168.88  110.714   32.374  327.203   11.704 -216.4897 34.42426 
1 1 1    7   15    5 o  561.359   23.644 48720.03  4051.09 49124.28  5732.30 48316.68  5725.92  559.019   33.754  554.267   34.010 4.752014 47.91714 
1 1 1    7   15    6 o  190.122   9.6470  5542.80  557.979  6625.38  805.344  4543.36  773.804  207.566   12.774  171.445   14.937 36.12082 19.65382 
1 1 1    7   15    7 o  217.439   15.565  7295.02  1026.16  7295.02  1026.16   0.0000   0.0000  217.439   15.565  ?   ?  0.000000 15.56473 
1 1 1    7   15    8 o  235.610   11.373  8499.89  817.902  8928.58  1159.90  8075.90  1153.51  240.587   15.885  228.636   16.644 11.95145 23.00735 
1 1 1    7   15    9 o  414.805   17.869 26483.18  2262.39 26714.03  3202.13 26253.09  3196.87  414.068   25.460  410.404   25.650 3.664001 36.14028 
1 1 1    7   15   10 o  652.734   40.167 68178.10  7963.54   0.0000   0.0000 68178.10  7963.54  ?   ?   652.734   40.167 0.000000 40.16666 
1 1 1    7   15   11 o  298.950   19.444 13847.60  1764.56   0.0000   0.0000 13847.60  1764.56  ?   ?   298.950   19.444 0.000000 19.44417 
1 1 1    7   15   12 o  229.415   16.005  8134.94  1113.71   0.0000   0.0000  8134.94  1113.71  ?   ?   229.415   16.005 0.000000 16.00523 
1 1 1    7   15   13 o  298.714   6.2190 13635.03  567.012 15251.35  674.267  9731.79  1047.81  315.870   6.9937  251.374   13.708 64.49626 15.38937 
1 1 1    7   15   14 o  439.227   10.910 29566.02  1462.62 29774.37  1609.33 28577.00  3506.25  440.583   11.967  426.428   27.079 14.15558 29.60592 
1 1 1    7   15   15 o   25.450   6.8747  102.315   54.661  118.511   57.437 -53.1612  177.960   27.315   6.8901   26.055   11.485 1.259483 13.39283 
1 1 1    7   15   16 o  204.221   5.9953  6374.10  373.704  6333.55  410.275  6571.60  905.489  203.539   6.6040  206.146   14.483 -2.606674 15.91756 
1 1 1    7   15   17 o  115.467   7.6847  2048.84  269.287  1936.68  359.103  2192.95  407.046  111.881   10.644  119.013   11.343 -7.132645 15.55499 
1 1 1    7   15   18 o  376.326   5.8952 21647.17  677.144 21925.94  859.198 21190.18  1100.09  378.564   7.4360  371.832   9.6932 6.732208 12.21683 
1 1 1    7   15   19 o  217.989   4.4441  7258.85  295.691  7240.10  325.071  7348.72  711.760  217.685   4.8925  218.842   10.656 -1.156311 11.72532 
1 1 1    7   15   20 o   70.490   3.5522  760.705   76.179  760.974   82.051  759.023  205.075   70.484   3.8283   69.662   9.9257 0.8223801 10.63837 
1 1 1    7   15   21 o  307.611   14.026 14589.65  1316.87 13171.38  1865.65 15997.88  1859.04  289.650   21.251  320.184   19.110 -30.53363 28.57960 
1 1 1    7   15   22 o  562.407   12.968 48712.22  2226.01 48560.05  2655.49 49071.88  4082.44  560.431   15.524  558.418   23.952 2.012939 28.54297 
1 1 1    7   15   23 o   62.398   3.4010  596.354   64.530  530.407   95.709  651.319   87.377   58.658   5.4067   65.143   4.4207 -6.485413 6.983868 
1 1 1    7   15   24 o  297.253   7.4735 13528.63  678.060 12802.20  788.022 15600.34  1330.78  288.961   8.9348  317.982   13.712 -29.02124 16.36569 
1 1 1    7   15   25 o  177.655   4.1051  4821.52  222.595  5083.64  339.652  4624.18  294.705  182.307   6.1040  173.908   5.5520 8.399643 8.251267 
1 1 1    7   15   26 o  103.692   4.3440  1642.83  137.484  1816.30  166.144  1266.03  244.863  109.009   4.9935   90.412   8.9925 18.59633 10.28590 
1 1 1    7   15   27 o  118.406   2.9764  2140.84  107.568  2135.91  138.348  2148.39  171.054  118.247   3.8332  118.563   4.7268 -0.3157501 6.085754 
1 1 1    7   15   28 o  226.581   4.6673  7846.42  322.783  7910.69  339.289  7233.69  1047.64  227.492   4.8864  215.288   16.059 12.20299 16.78566 
1 1 1    7   15   29 o   32.886   9.2328  170.554   96.475  172.239  106.805  163.085  224.861   33.248   9.8352   37.872   14.275 -4.624142 17.33527 
1 1 1    7   15   30 o  113.002   5.4111  1952.86  186.633  1914.77  206.294  2124.62  438.042  111.701   6.0737  116.698   12.492 -4.997192 13.89034 
1 1 1    7   15   31 o  116.426   4.8690  2072.25  173.023  2052.03  208.992  2116.32  308.484  115.657   5.9403  117.119   8.6916 -1.462250 10.52762 
1 1 1    7   15   32 o  180.405   3.3837  4971.14  186.317  5293.62  347.758  4841.31  220.659  185.984   6.1261  178.000   4.0615 7.983841 7.350161 
1 1 1    7   15   33 o  239.305   4.0587  8750.44  296.453  7569.73  533.086  9279.07  356.695  222.195   7.8604  246.371   4.7434 -24.17616 9.180772 
1 1 1    7   15   34 o  359.124   6.8404 19752.74  749.791 20525.31  1116.80 19118.72  1011.70  365.336   10.015  352.756   9.3964 12.57941 13.73314 
1 1 1    7   15   35 o  453.839   7.1780 31558.06  994.317 33107.12  1725.02 30787.31  1216.79  463.117   12.204  447.786   8.9028 15.33054 15.10588 
1 1 1    7   15   36 o  170.887   3.7640  4461.55  196.327  4524.05  305.967  4417.80  255.971  171.948   5.8299  169.980   4.9337 1.967468 7.637372 
1 1 1    7   15   37 o  114.809   2.8195  2012.85   98.803  2062.97  133.817  1952.78  146.500  116.200   3.7730  113.037   4.2462 3.162834 5.680281 
1 1 1    7   15   38 o  194.419   5.5914  5783.29  331.799  7123.87  888.558  5566.08  357.671  214.005   13.675  190.682   6.1455 23.32281 14.99223 
1 1 1    7   15   39 o  211.222   7.6291  6842.48  491.845  7170.09  978.155  6731.62  569.011  214.199   15.057  209.317   8.9063 4.882233 17.49400 
1 1 1    7   15   40 f  193.792   8.3791  5767.24  495.622  6266.58  904.734  5553.14  592.422  200.143   14.917  189.594   10.276 10.54808 18.11410 
1 1 1    7   15   41 o  335.474   5.9512 17232.47  609.367 17717.33  868.158 16761.61  855.532  339.610   8.3753  330.295   8.4863 9.315491 11.92321 
1 1 1    7   15   42 o  250.132   4.8772  9570.91  372.355  9367.40  537.250  9759.03  516.541  247.128   7.1226  252.313   6.7073 -5.184830 9.783601 
1 1 1    7   15   43 o  165.932   3.0663  4206.13  155.294  4303.88  204.018  4071.48  239.451  167.792   3.9837  163.136   4.8090 4.655945 6.244638 
1 1 1    7   15   44 o   47.683   7.7593  358.207  109.046  402.392  127.409  237.203  210.846   50.453   8.5808   40.726   14.014 9.727062 16.43235 
1 1 1    7   15   45 o   44.272   6.7900  307.665   88.823  308.065   91.547  301.234  366.843   44.263   7.0098   49.002   18.280 -4.739498 19.57754 
1 1 1    7   15   46 o   71.304   4.0419  780.095   87.604  786.950  126.174  773.715  121.726   71.411   5.8399   70.825   5.6787 0.5858536 8.145701 
1 1 1    7   15   47 o  116.874   2.8029  2087.00   99.987  2024.84  140.156  2151.43  142.684  115.052   3.9912  118.597   3.9417 -3.545303 5.609522 
1 1 1    7   15   48 o   15.240   6.0407   18.902   41.806   36.892   96.830   14.780   46.348   22.677   9.1241   15.490   6.2843 7.186897 11.07886 
1 1 1    7   15   49 o  114.328   3.2292  1998.57  112.685  2083.25  407.646  1991.56  117.253  114.826   11.799  114.118   3.3663 0.7084122 12.26981 
1 1 1    7   15   50 f   55.053   3.8288  466.157   63.936  307.280  256.206  476.708   66.025   45.223   15.452   55.666   3.9108 -10.44328 15.93894 
1 1 1    7   15   51 o   44.354   3.4895  302.924   46.858  331.622  123.107  298.062   50.672   45.387   9.2016   43.955   3.8148 1.431580 9.960990 
1 1 1    7   15   52 o   15.094   5.7789   23.789   37.213   31.064  119.717   23.011   39.152   24.271   10.002   15.267   5.9059 9.004240 11.61580 
1 1 1    7   15   53 o  105.814   4.7961  1720.11  154.900  1751.13  183.669  1643.71  288.270  106.477   5.6719  102.102   9.3541 4.375526 10.93941 
1 1 1    7   15   54 o   53.140   16.441  473.420  293.871   0.0000   0.0000  473.420  293.871  ?   ?    53.140   16.441 0.000000 16.44081 
1 1 1    7   16    0 o  273.630   18.166 11629.19  1501.86 11629.19  1501.86 11629.19  1501.86  273.630   18.166  273.630   18.166 0.000000 0.000000 
1 1 1    7   16    1 o  144.189   4.8700  3175.11  214.328  3195.45  232.440  3059.64  553.811  144.641   5.2650  140.641   13.050 4.000381 14.07204 
1 1 1    7   16    2 o  132.461   4.5240  2679.36  182.908  1958.54  478.920  2802.46  197.910  112.044   14.333  135.465   4.7866 -23.42105 15.11085 
1 1 1    7   16    3 o  347.024   15.183 18507.32  1608.19 15073.56  2273.47 21946.27  2275.18  310.639   24.168  376.453   19.871 -65.81430 31.28879 
1 1 1    7   16    4 o  351.572   15.379 19001.63  1650.29 19841.43  2336.75 18165.97  2330.98  357.394   21.522  341.641   22.479 15.75287 31.12092 
1 1 1    7   16    5 o   98.308   8.9816  1490.92  266.523  1925.05  400.722  1146.53  356.912  111.426   11.970   85.281   14.212 26.14503 18.58118 
1 1 1    7   16    6 o  172.385   5.3198  4539.30  279.906  4322.48  324.952  5162.76  551.032  168.186   6.3301  183.372   9.8817 -15.18602 11.73538 
1 1 1    7   16    7 o  219.182   6.7062  7342.66  448.639  6150.79  531.302 10304.16  837.494  200.504   8.6816  259.357   10.580 -58.85320 13.68566 
1 1 1    7   16    8 o  358.128   15.876 19745.28  1735.36   0.0000   0.0000 19745.28  1735.36  ?   ?   358.128   15.876 0.000000 15.87576 
1 1 1    7   16    9 o  433.046   18.762 28984.39  2479.90   0.0000   0.0000 28984.39  2479.90  ?   ?   433.046   18.762 0.000000 18.76217 
1 1 1    7   16   10 o  538.571   22.919 45144.93  3767.49   0.0000   0.0000 45144.93  3767.49  ?   ?   538.571   22.919 0.000000 22.91885 
1 1 1    7   16   11 o  235.529   5.5529  8476.28  399.191  9094.11  473.541  6958.99  742.094  243.916   6.3606  212.683   11.474 31.23264 13.11917 
1 1 1    7   16   12 o  406.068   14.373 25379.66  1781.40 24288.52  3093.06 25921.22  2179.09  392.713   25.951  409.560   17.432 -16.84753 31.26198 
1 1 1    7   16   13 o  162.625   9.5256  4065.73  470.759  4129.50  671.969  4004.26  659.707  163.289   13.607  160.782   13.570 2.506409 19.21660 
1 1 1    7   16   14 f  291.414   13.299 13064.15  1182.88 13012.41  1674.37 13115.71  1671.31  289.021   19.088  290.207   18.973 -1.185333 26.91303 
1 1 1    7   16   15 o  255.681   5.4176  9990.55  422.791  9834.49  598.496 10146.01  597.339  253.493   7.7353  257.489   7.6005 -3.996140 10.84452 
1 1 1    7   16   16 o  166.376   3.8533  4227.52  195.679  4943.98  279.678  3540.46  273.878  179.873   5.0942  152.182   5.8963 27.69116 7.792096 
1 1 1    7   16   17 o  311.581   7.9211 14863.79  753.309 15075.54  828.679 13856.00  1807.83  313.695   8.6549  297.635   20.017 16.05966 21.80751 
1 1 1    7   16   18 o  217.834   9.0431  7273.10  601.254  7158.38  752.323  7475.92  1000.30  215.525   11.478  219.523   15.019 -3.997437 18.90296 
1 1 1    7   16   19 o  193.757   10.037  5776.14  591.564  6720.66  842.042  4855.66  831.257  208.431   13.305  176.542   15.587 31.88895 20.49328 
1 1 1    7   16   20 o   58.403   3.7915  523.163   67.222  548.362   69.487  155.455  265.437   59.796   3.8274   39.648   15.366 20.14877 15.83578 
1 1 1    7   16   21 o  206.665   4.1989  6524.83  264.861  6594.23  291.364  6194.57  635.596  207.740   4.5951  200.570   10.418 7.169907 11.38662 
1 1 1    7   16   22 o  210.937   4.1735  6797.49  268.699  7684.60  388.076  5980.59  372.403  224.180   5.6716  197.734   6.1704 26.44620 8.380987 
1 1 1    7   16   23 o  160.419   5.6523  3935.17  276.758  3935.17  276.758   0.0000   0.0000  160.419   5.6523  ?   ?  0.000000 5.652323 
1 1 1    7   16   24 o   88.322   12.838  1227.36  335.943   0.0000   0.0000  1227.36  335.943  ?   ?    88.322   12.838 0.000000 12.83769 
1 1 1    7   16   25 o  320.669   7.8340 15756.77  766.756 15240.63  2056.42 15840.11  826.345  310.444   21.842  321.414   8.4232 -10.97043 23.40964 
1 1 1    7   16   26 o  225.539   5.8098  7780.98  399.943  7508.84  463.108  8579.46  793.271  221.460   6.8513  236.125   11.007 -14.66452 12.96497 
1 1 1    7   16   27 o  144.082   4.1406  3171.97  182.093  3209.93  222.257  3094.48  317.578  144.900   5.0254  141.938   7.3558 2.962204 8.908536 
1 1 1    7   16   28 o  200.519   4.8622  6146.71  297.582  6481.45  675.412  6066.07  331.491  204.933   10.836  199.156   5.4533 5.777817 12.13123 
1 1 1    7   16   29 o   92.942   3.3669  1319.40   95.512  1332.19  108.684  1275.99  200.160   93.381   3.8132   90.973   7.2692 2.407143 8.208650 
1 1 1    7   16   30 o  209.884   5.2265  6736.58  334.819  6915.75  390.631  6240.52  649.993  212.585   6.0203  201.089   10.628 11.49702 12.21462 
1 1 1    7   16   31 o  462.830   11.712 33034.11  1654.45   0.0000   0.0000 33034.11  1654.45  ?   ?   462.830   11.712 0.000000 11.71160 
1 1 1    7   16   32 o   71.791   4.3621  790.595   95.129   0.0000   0.0000  790.595   95.129  ?   ?    71.791   4.3621 0.000000 4.362066 
1 1 1    7   16   33 o  366.092   9.3565 20592.52  1045.50   0.0000   0.0000 20592.52  1045.50  ?   ?   366.092   9.3565 0.000000 9.356538 
1 1 1    7   16   34 o   85.414   3.5487  1114.49   92.515  1057.49  144.654  1153.94  120.346   82.937   5.7498   86.766   4.5603 -3.828476 7.338722 
1 1 1    7   16   35 o  259.814   7.7748 10351.45  616.551 10740.77  1011.38 10121.20  777.789  263.636   12.569  256.519   9.9340 7.116699 16.02057 
1 1 1    7   16   36 o  100.151   4.5086  1533.27  137.821   0.0000   0.0000  1533.27  137.821  ?   ?   100.151   4.5086 0.000000 4.508637 
1 1 1    7   16   37 o  254.867   5.0533  9934.62  393.105   0.0000   0.0000  9934.62  393.105  ?   ?   254.867   5.0533 0.000000 5.053340 
1 1 1    7   16   38 o  230.799   11.208  8219.38  789.547   0.0000   0.0000  8219.38  789.547  ?   ?   230.799   11.208 0.000000 11.20797 
1 1 1    7   16   39 o   76.326   8.9913  907.787  205.446  1188.03  450.280  834.111  230.879   85.490   17.833   72.793   10.712 12.69748 20.80325 
1 1 1    7   16   40 o  284.929   5.2248 12422.64  454.381 12397.42  496.208 12553.60  1130.73  284.565   5.7130  284.465   13.023 0.1006775 14.22106 
1 1 1    7   16   41 o  163.764   3.0947  4096.90  154.685  3811.25  267.243  4240.81  189.691  157.779   5.5493  166.578   3.7309 -8.799149 6.686891 
1 1 1    7   16   42 o  173.749   3.1604  4612.20  167.600  4712.00  219.617  4473.01  259.354  175.552   4.0987  170.968   4.9700 4.584412 6.442082 
1 1 1    7   16   43 o  189.796   4.1323  5508.60  239.385  5486.14  336.804  5531.52  340.307  189.219   5.8317  189.996   5.8683 -0.7761993 8.273161 
1 1 1    7   16   44 o  207.377   4.5685  6580.65  289.167  6673.67  397.456  6476.03  421.489  208.596   6.2426  205.403   6.7230 3.193619 9.174349 
1 1 1    7   16   45 o  188.350   5.1459  5433.99  295.831  5289.98  520.794  5502.60  359.454  185.085   9.2189  189.374   6.2188 -4.288940 11.12028 
1 1 1    7   16   46 o  144.341   3.4233  3185.28  150.816  3151.88  227.099  3211.64  201.721  143.416   5.1880  144.836   4.5631 -1.420654 6.909202 
1 1 1    7   16   47 o  108.377   3.1053  1795.45  102.721  1590.71  325.026  1818.17  108.270  100.572   10.755  109.052   3.2528 -8.479774 11.23609 
1 1 1    7   16   48 o  118.443   3.4196  2145.73  123.626  2666.11  451.860  2103.62  128.530  130.078   11.500  117.262   3.5911 12.81577 12.04722 
1 1 1    7   16   49 o   78.269   4.4846  941.980  106.688  894.818  626.062  943.391  108.272   72.562   24.154   78.319   4.5489 -5.756668 24.57866 
1 1 1    7   16   50 o   55.769   4.2114  479.356   71.158  595.498  149.749  445.483   80.871   61.458   8.1867   53.639   4.9972 7.819069 9.591317 
1 1 1    7   16   51 o   65.805   3.9105  665.881   78.191  846.496  144.323  590.842   93.026   73.789   6.4735   61.821   4.9721 11.96766 8.162613 
1 1 1    7   16   52 o  162.751   3.9264  4060.83  195.047  4071.70  305.048  4053.32  253.678  162.431   6.1529  162.342   5.1196 0.8947754E-01 8.004292 
1 1 1    7   16   53 o   88.056   4.8323  1195.78  129.378   0.0000   0.0000  1195.78  129.378  ?   ?    88.056   4.8323 0.000000 4.832270 
1 1 1    7   17    0 o   84.055   15.053  1180.30  349.316  1180.30  349.316  1180.30  349.316   84.055   15.053   84.055   15.053 -0.000000 0.000000 
1 1 1    7   17    1 o  126.268   8.5679  2451.57  328.254  1405.16  451.369  3626.27  478.236   94.144   16.298  153.480   10.268 -59.33673 19.26307 
1 1 1    7   17    2 o  327.475   14.384 16504.34  1437.73 13947.29  2030.98 19072.92  2035.56  298.459   22.459  350.421   19.104 -51.96265 29.48525 
1 1 1    7   17    3 o  299.485   7.4288 13719.14  679.067 12702.01  805.923 16208.96  1260.93  287.998   9.1683  324.816   12.719 -36.81763 15.67856 
1 1 1    7   17    4 o  199.753   5.4923  6097.11  334.863  6369.93  366.599  4722.95  822.764  204.154   5.8832  174.352   15.627 29.80267 16.69740 
1 1 1    7   17    5 o  163.212   9.0992  4092.15  451.480  2219.83  604.692  6450.62  678.672  118.679   17.194  204.790   10.897 -86.11125 20.35633 
1 1 1    7   17    6 o  506.739   21.486 39974.70  3323.27   0.0000   0.0000 39974.70  3323.27  ?   ?   506.739   21.486 0.000000 21.48646 
1 1 1    7   17    7 o  201.119   6.2475  6183.71  383.508   0.0000   0.0000  6183.71  383.508  ?   ?   201.119   6.2475 0.000000 6.247468 
1 1 1    7   17    8 o  176.910   10.545  4817.36  566.825   0.0000   0.0000  4817.36  566.825  ?   ?   176.910   10.545 0.000000 10.54522 
1 1 1    7   17    9 o  519.211   18.015 41768.04  2854.87 39514.79  4948.00 42892.47  3495.35  495.477   32.905  524.306   21.842 -28.82944 39.49460 
1 1 1    7   17   10 o  214.875   8.5553  7071.17  561.096  8146.22  986.124  6556.49  682.315  229.509   14.146  206.403   10.869 23.10600 17.83939 
1 1 1    7   17   11 o  277.638   6.7293 11790.22  570.251 11991.63  678.165 11304.08  1053.62  279.877   7.9387  271.070   12.735 8.806702 15.00644 
1 1 1    7   17   12 o  187.324   5.0357  5362.10  287.917  5529.07  339.933  4938.26  541.582  190.175   5.8563  179.160   9.9429 11.01419 11.53942 
1 1 1    7   17   13 o  397.234   9.0615 24185.00  1098.66 24628.55  1309.63 23131.24  2018.58  400.518   10.713  386.362   17.117 14.15692 20.19329 
1 1 1    7   17   14 o   88.212   4.7046  1192.30  126.211  1098.79  142.296  1537.17  273.274   84.602   5.5412   99.735   9.0764 -15.13250 10.63418 
1 1 1    7   17   15 o  471.151   10.708 34091.15  1539.86 34605.29  1836.02 32871.83  2827.47  474.090   12.688  458.987   20.183 15.10300 23.83977 
1 1 1    7   17   16 o  182.860   8.0825  5121.84  451.110  4604.96  770.046  5391.92  556.624  172.033   14.810  187.209   9.7752 -15.17662 17.74480 
1 1 1    7   17   17 o  229.346   15.958  8183.28  1110.13  8183.28  1110.13   0.0000   0.0000  229.346   15.958  ?   ?  0.000000 15.95807 
1 1 1    7   17   18 o  128.134   5.1010  2509.52  199.497  2509.52  199.497   0.0000   0.0000  128.134   5.1010  ?   ?  0.000000 5.100987 
1 1 1    7   17   19 o   14.525   6.3577 -13.0018   53.695 -13.0018   53.695   0.0000   0.0000   14.525   6.3577  ?   ?  0.000000 6.357735 
1 1 1    7   17   20 o  119.779   8.3951  2209.87  304.979  2442.23  453.619  2018.20  411.990  125.377   12.000  113.862   12.037 11.51569 16.99713 
1 1 1    7   17   21 o   47.477   5.5538  349.374   78.960  349.374   78.960   0.0000   0.0000   47.477   5.5538  ?   ?  0.000000 5.553805 
1 1 1    7   17   22 o  102.311   3.4742  1598.73  108.490  1872.99  175.633  1429.52  137.957  110.684   5.1988   96.713   4.6735 13.97034 6.990645 
1 1 1    7   17   23 o  309.441   7.7701 14673.59  733.876 14437.63  877.089 15224.42  1340.08  306.656   9.3708  313.749   13.994 -7.093048 16.84143 
1 1 1    7   17   24 o  421.836   6.2975 27232.36  810.830 29698.30  1369.00 25899.92  1006.32  439.526   10.205  411.030   8.0213 28.49628 12.97994 
1 1 1    7   17   25 o   56.668   3.4740  492.345   59.797  576.744   66.913  157.658  133.248   61.342   3.5895   33.103   11.144 28.23869 11.70790 
1 1 1    7   17   26 o  169.414   3.1530  4383.32  163.039  4828.77  215.837  3791.40  248.805  177.775   3.9777  157.462   5.1769 20.31285 6.528582 
1 1 1    7   17   27 o  170.836   6.2249  4466.94  324.586  4509.93  547.417  4443.63  403.089  170.874   10.548  170.252   7.7569 0.6212463 13.09285 
1 1 1    7   17   28 o  319.430   5.0021 15601.56  487.688 16143.81  824.695 15309.97  604.764  324.384   8.3295  316.258   6.2651 8.125397 10.42264 
1 1 1    7   17   29 o  339.557   7.6932 17676.65  797.332 19116.78  2245.12 17468.80  852.932  347.301   21.282  337.433   8.2815 9.868164 22.83672 
1 1 1    7   17   30 o  318.119   5.0648 15475.23  491.782 16033.14  884.013 15225.19  591.811  323.113   8.9637  315.389   6.1478 7.724213 10.86937 
1 1 1    7   17   31 o  236.123   6.1858  8534.27  445.811  8539.37  530.388  8521.99  822.900  236.046   7.3617  235.096   11.468 0.9504547 13.62751 
1 1 1    7   17   32 o   57.265   15.226  527.557  270.724  576.966  574.102  513.428  307.000   64.427   23.048   56.837   16.636 7.589256 28.42408 
1 1 1    7   17   33 o  258.426   12.659 10323.68  998.497 10787.22  1473.12  9929.71  1358.07  261.651   18.566  251.299   17.821 10.35185 25.73532 
1 1 1    7   17   34 o  103.169   5.0248  1627.75  158.227  1456.44  682.698  1637.47  162.656   93.755   23.812  103.471   5.1503 -9.715515 24.36232 
1 1 1    7   17   35 o   48.226   12.695  372.758  189.424   0.0000   0.0000  372.758  189.424  ?   ?    48.226   12.695 0.000000 12.69499 
1 1 1    7   17   36 o   78.261   4.5594  939.601  108.438   0.0000   0.0000  939.601  108.438  ?   ?    78.261   4.5594 0.000000 4.559356 
1 1 1    7   17   37 o   93.612   3.5341  1338.91  100.978  1195.96  163.329  1427.36  128.474   88.164   6.1071   96.626   4.3562 -8.461678 7.501530 
1 1 1    7   17   38 o  158.134   3.8588  3821.77  186.252  3836.21  205.428  3755.07  441.477  158.409   4.2488  155.936   9.3183 2.472900 10.24124 
1 1 1    7   17   39 o  202.471   4.4749  6269.00  276.541  6187.35  303.450  6669.13  671.722  201.102   4.9437  207.585   10.637 -6.483109 11.73011 
1 1 1    7   17   40 f  167.143   3.2643  4268.42  166.531  4369.56  212.197  4106.25  268.701  169.055   4.1124  163.776   5.3753 5.278885 6.767995 
1 1 1    7   17   41 o  207.576   3.3867  6584.42  214.572  5995.35  301.944  7185.39  304.979  197.918   4.9983  216.719   4.6106 -18.80093 6.800049 
1 1 1    7   17   42 o  142.707   3.6442  3113.14  158.735  3026.27  224.472  3200.02  224.497  140.579   5.2315  144.572   5.0876 -3.992477 7.297379 
1 1 1    7   17   43 o  170.931   5.3731  4476.28  280.324  4215.04  609.641  4546.32  315.675  164.106   12.260  172.180   6.0068 -8.073578 13.65216 
1 1 1    7   17   44 o  138.692   3.3995  2940.54  143.908  2853.91  179.679  3095.55  240.339  136.563   4.3107  142.102   5.5413 -5.538071 7.020504 
1 1 1    7   17   45 o  124.070   6.8613  2374.13  258.822  2683.84  574.273  2295.19  289.939  129.598   14.782  121.787   7.8416 7.810432 16.73350 
1 1 1    7   17   46 o  170.654   4.8047  4462.83  250.262  3940.68  737.306  4530.83  266.058  156.625   15.632  171.908   5.0706 -15.28322 16.43364 
1 1 1    7   17   47 o  140.939   3.6775  3039.65  158.200   0.0000   0.0000  3039.65  158.200  ?   ?   140.939   3.6775 0.000000 3.677548 
1 1 1    7   17   48 o   47.510   3.3493  347.049   48.257  475.435  284.879  343.256   48.965   53.787   16.098   47.241   3.4190 6.545464 16.45669 
1 1 1    7   17   49 o   30.733   4.3478  147.661   39.645  280.838  139.163  135.897   41.359   41.527   10.857   29.386   4.7752 12.14127 11.86077 
1 1 1    7   17   50 o   95.951   4.1576  1411.82  121.762  1336.18  197.685  1458.06  154.561   92.674   7.0414   97.237   5.2269 -4.562706 8.769357 
1 1 1    7   17   51 f  101.612   3.1102  1580.40   96.460  1689.44  203.197  1548.68  109.596  104.370   6.4096  100.540   3.5714 3.829628 7.337450 
1 1 1    7   18    0 o  447.662   27.850 31489.98  3771.64 31489.98  3771.64 31489.98  3771.64  447.662   27.850  447.662   27.850 -0.000000 0.000000 
1 1 1    7   18    1 o  234.391   10.343  8430.28  739.927 14372.20  1053.30  2641.26  1039.66  305.883   11.282  126.817   27.640 179.0667 29.85379 
1 1 1    7   18    2 o  208.078   9.6249  6639.04  611.282  2998.58  855.935 10428.66  873.293  137.123   21.130  260.602   10.979 -123.4790 23.81173 
1 1 1    7   18    3 o  327.419   21.043 16799.09  2091.81   0.0000   0.0000 16799.09  2091.81  ?   ?   327.419   21.043 0.000000 21.04306 
1 1 1    7   18    4 o  243.485   10.101  9095.71  750.679   0.0000   0.0000  9095.71  750.679  ?   ?   243.485   10.101 0.000000 10.10102 
1 1 1    7   18    5 o  310.097   20.069 15044.65  1889.31   0.0000   0.0000 15044.65  1889.31  ?   ?   310.097   20.069 0.000000 20.06883 
1 1 1    7   18    6 o  189.601   5.4641  5494.90  316.213  5622.38  346.412  4857.90  774.355  191.762   5.9185  176.860   14.471 14.90152 15.63499 
1 1 1    7   18    7 o  134.231   4.8472  2753.24  198.593  2521.20  227.395  3499.14  407.699  128.415   5.8016  150.840   8.8947 -22.42519 10.61950 
1 1 1    7   18    8 o  226.287   6.4152  7832.12  443.085  7339.28  523.228  9081.51  833.076  218.931   7.8301  243.106   11.227 -24.17522 13.68796 
1 1 1    7   18    9 o  317.430   8.0585 15432.75  780.769 14591.26  928.651 17461.99  1442.09  308.379   9.8662  336.429   14.044 -28.05020 17.16298 
1 1 1    7   18   10 o  348.391   8.1212 18592.12  863.585 18349.55  1028.01 19173.79  1591.87  345.831   9.7390  352.289   14.804 -6.458221 17.72062 
1 1 1    7   18   11 o  128.565   4.3444  2525.24  170.477  2673.52  185.490  1718.85  432.561  132.277   4.5943  104.668   13.883 27.60999 14.62300 
1 1 1    7   18   12 o  315.336   7.1191 15220.08  685.194 15985.76  815.681 13384.53  1262.93  323.004   8.2736  294.458   14.052 28.54678 16.30679 
1 1 1    7   18   13 o  169.549   7.8634  4403.24  406.933  4243.76  714.244  4479.90  495.158  165.157   14.310  170.608   9.5471 -5.451401 17.20261 
1 1 1    7   18   14 o  146.229   9.3657  3293.85  415.817  3467.34  596.568  3129.92  579.894  149.376   13.221  141.794   13.565 7.581161 18.94198 
1 1 1    7   18   15 o  159.037   13.949  3935.29  670.269  3935.29  670.269   0.0000   0.0000  159.037   13.949  ?   ?  0.000000 13.94901 
1 1 1    7   18   16 o  180.240   6.0821  4969.43  334.597  4969.43  334.597   0.0000   0.0000  180.240   6.0821  ?   ?  0.000000 6.082105 
1 1 1    7   18   17 o   91.222   4.8008  1275.37  133.199  1176.88  141.926  2003.18  385.807   87.573   5.3352  113.555   11.281 -25.98201 12.47862 
1 1 1    7   18   18 o  338.881   9.6863 17635.12  1001.90 17635.12  1001.90   0.0000   0.0000  338.881   9.6863  ?   ?  0.000000 9.686308 
1 1 1    7   18   19 f  251.353   11.949  9735.32  916.677 10214.82  1300.40  9261.70  1292.40  255.770   16.750  243.232   17.526 12.53889 24.24285 
1 1 1    7   18   20 o  197.390   10.506  6008.43  630.675  6519.61  977.019  5643.29  825.758  204.344   15.787  190.428   14.312 13.91594 21.30871 
1 1 1    7   18   21 o  188.531   5.5580  5436.36  319.827  5553.71  965.710  5421.90  338.955  188.114   17.003  188.254   5.8990 -0.1397552 17.99734 
1 1 1    7   18   22 o  399.221   7.1608 24413.89  872.551 24405.56  960.603 24453.17  2086.25  398.994   7.8879  396.005   17.260 2.989014 18.97724 
1 1 1    7   18   23 o  114.284   4.2764  1995.95  149.169  2123.60  178.508  1700.48  271.576  117.854   4.9625  104.930   8.5541 12.92461 9.889283 
1 1 1    7   18   24 o  305.045   4.8525 14226.28  451.797 14816.93  574.587 13269.65  731.245  311.159   6.0500  294.134   8.1452 17.02545 10.14626 
1 1 1    7   18   25 o  277.298   4.2867 11751.55  362.818 12236.14  476.479 11082.86  559.717  282.826   5.5196  269.002   6.8170 13.82367 8.771420 
1 1 1    7   18   26 o   60.226   3.1377  555.484   57.479  520.423  313.615  556.703   58.469   57.252   16.830   60.289   3.1887 -3.036949 17.12943 
1 1 1    7   18   27 o  206.180   5.2333  6501.59  329.339  6501.48  416.093  6501.78  538.870  206.046   6.6162  205.810   8.5783 0.2363281 10.83335 
1 1 1    7   18   28 o  253.403   4.8503  9817.98  375.144 10548.79  583.538  9303.18  489.764  262.358   7.2872  246.486   6.5099 15.87164 9.771486 
1 1 1    7   18   29 o  161.423   5.4043  3985.94  266.270  3917.97  287.549  4394.84  705.307  160.006   5.8879  167.862   13.891 -7.855789 15.08717 
1 1 1    7   18   30 f  294.803   5.6626 13297.56  509.526 13431.13  535.429 12016.50  1658.21  296.244   5.9215  275.618   19.844 20.62598 20.70877 
1 1 1    7   18   31 o  197.685   5.7454  5980.04  346.668  5985.65  376.029  5948.30  894.883  197.730   6.2306  195.048   15.151 2.682388 16.38171 
1 1 1    7   18   32 o   29.968   8.2102  142.158   77.317  151.602   82.702   76.643  217.830   30.946   8.4967   33.718   13.643 -2.772755 16.07277 
1 1 1    7   18   33 o  174.994   4.1655  4680.38  222.486   0.0000   0.0000  4680.38  222.486  ?   ?   174.994   4.1655 0.000000 4.165453 
1 1 1    7   18   34 o  131.551   5.1198  2647.19  205.571   0.0000   0.0000  2647.19  205.571  ?   ?   131.551   5.1198 0.000000 5.119793 
1 1 1    7   18   35 o  128.689   5.0859  2533.44  199.768   0.0000   0.0000  2533.44  199.768  ?   ?   128.689   5.0859 0.000000 5.085889 
1 1 1    7   18   36 o  150.526   5.4578  3467.88  250.753   0.0000   0.0000  3467.88  250.753  ?   ?   150.526   5.4578 0.000000 5.457815 
1 1 1    7   18   37 o  196.173   4.5025  5885.23  269.596  5914.95  421.380  5864.63  350.787  196.375   7.0302  195.687   5.8731 0.6882019 9.160620 
1 1 1    7   18   38 o   80.174   4.4021  985.972  107.310  876.405  199.076  1030.85  127.405   74.952   8.8743   81.912   5.1216 -6.960052 10.24618 
1 1 1    7   18   39 o  138.261   3.9973  2922.72  168.688  2874.31  184.419  3170.71  417.407  137.085   4.4076  143.068   9.6145 -5.983719 10.57668 
1 1 1    7   18   40 o   45.594   3.1754  319.180   43.914  337.611  101.576  314.943   48.700   46.308   7.4384   45.254   3.5544 1.053871 8.243961 
1 1 1    7   18   41 o  157.024   3.8297  3770.19  183.548  3918.26  269.055  3641.29  251.033  159.912   5.5124  154.176   5.3345 5.735825 7.670992 
1 1 1    7   18   42 o   55.241   3.4391  468.284   57.699  311.257  107.923  531.130   68.275   44.242   8.2969   58.809   3.8245 -14.56610 9.135896 
1 1 1    7   18   43 o   24.429   6.4357   94.962   48.656   45.507   88.853  116.143   58.150   22.504   8.8423   26.985   7.0004 -4.480928 11.27791 
1 1 1    7   18   44 o  189.696   4.0069  5506.84  232.000  5519.14  344.225  5496.61  314.043  189.593   5.9485  189.300   5.4353 0.2926331 8.057683 
1 1 1    7   18   45 o   35.912   5.2985  202.068   56.333  246.518  282.903  200.233   57.485   43.448   16.083   35.720   5.4447 7.727695 16.97974 
1 1 1    7   18   46 o  218.122   4.3164  7289.77  287.370  8567.60  788.424  7094.00  308.599  233.904   11.043  215.093   4.7006 18.81078 12.00221 
1 1 1    7   18   47 o  163.002   5.0379  4079.47  250.646  5502.41  921.698  3965.83  260.461  183.287   16.657  160.662   5.3115 22.62549 17.48373 
1 1 1    7   18   48 o  209.617   4.3978  6740.16  281.374  7239.21  455.397  6432.00  357.853  216.433   6.8937  204.403   5.7359 12.03023 8.967871 
1 1 1    7   18   49 o   95.189   3.8650  1388.87  112.293  1592.18  212.603  1310.21  132.245  101.206   6.9241   92.239   4.7130 8.967331 8.375892 
1 1 1    7   18   50 o  115.857   4.6239  2062.51  163.512  2675.43  465.563  1976.27  174.637  129.009   11.959  113.335   5.0484 15.67320 12.98128 
1 1 1    7   19    2 o  298.512   8.6708 13659.65  790.015   0.0000   0.0000 13659.65  790.015  ?   ?   298.512   8.6708 0.000000 8.670753 
1 1 1    7   19    3 o  380.864   16.656 22502.57  1936.18 23183.91  2739.69 21822.75  2736.66  382.841   23.560  370.977   24.303 11.86487 33.84864 
1 1 1    7   19    4 o  270.036   7.6253 11167.06  628.490 10760.43  690.305 13137.33  1519.52  264.958   8.5358  290.353   17.223 -25.39435 19.22216 
1 1 1    7   19    5 o  269.705   7.2742 11136.42  598.816 11129.50  657.859 11169.85  1446.21  269.532   7.9966  267.435   17.819 2.096588 19.53129 
1 1 1    7   19    6 o  180.148   5.1166  4960.60  281.336  5170.67  308.161  3909.17  689.420  183.900   5.4901  158.422   14.415 25.47836 15.42552 
1 1 1    7   19    7 o   79.622   5.9654  975.019  143.919  627.441  155.927  2974.54  373.989   63.462   8.2446  138.997   8.8614 -75.53529 12.10367 
1 1 1    7   19    8 o  326.215   8.6227 16315.25  858.547 14717.78  1020.71 20179.24  1587.46  309.428   10.807  361.315   14.395 -51.88672 18.00012 
1 1 1    7   19    9 o  453.563   10.714 31621.43  1483.18 30120.18  1768.09 35186.60  2724.69  441.880   13.109  474.930   18.796 -33.05048 22.91626 
1 1 1    7   19   10 o  238.807   6.6489  8727.76  484.636  8722.11  532.164  8755.21  1173.20  238.661   7.3055  236.985   16.319 1.675842 17.87942 
1 1 1    7   19   11 o  310.354   11.320 14821.17  1072.30 11586.79  1855.83 16442.16  1313.81  270.217   22.712  326.407   13.187 -56.19006 26.26293 
1 1 1    7   19   12 o  293.493   19.462 13526.78  1733.52 13526.78  1733.52   0.0000   0.0000  293.493   19.462  ?   ?  0.000000 19.46189 
1 1 1    7   19   13 o  206.453   10.565  6569.96  663.488  6779.07  948.651  6369.73  928.307  208.687   14.993  202.214   15.151 6.472885 21.31532 
1 1 1    7   19   14 f  514.270   13.291 40846.37  2086.28 39896.35  2295.40 45359.18  5002.83  507.523   14.818  527.239   31.227 -19.71555 34.56434 
1 1 1    7   19   15 o  209.815   6.2282  6736.32  398.855  6642.70  431.279  7289.65  1048.49  208.299   6.7835  216.084   16.011 -7.784225 17.38898 
1 1 1    7   19   16 o  399.200   9.6534 24480.26  1176.21 23727.03  1399.97 26288.06  2168.85  392.414   11.688  410.720   17.301 -18.30649 20.87914 
1 1 1    7   19   17 o  276.256   8.1853 11703.04  690.178 11703.04  690.178   0.0000   0.0000  276.256   8.1853  ?   ?  0.000000 8.185266 
1 1 1    7   19   18 o  177.423   13.717  4898.13  737.065   0.0000   0.0000  4898.13  737.065  ?   ?   177.423   13.717 0.000000 13.71723 
1 1 1    7   19   19 o  126.982   13.237  2518.84  505.494   0.0000   0.0000  2518.84  505.494  ?   ?   126.982   13.237 0.000000 13.23692 
1 1 1    7   19   20 o   76.682   4.6499  902.129  108.316  906.553  114.197  862.464  341.943   76.848   4.8941   73.132   15.782 3.716393 16.52334 
1 1 1    7   19   21 o  143.458   3.7058  3144.10  162.266  3470.42  225.114  2791.19  234.107  150.659   4.8954  135.071   5.6785 15.58870 7.497394 
1 1 1    7   19   22 o  162.086   4.9919  4017.19  246.962  4067.09  269.883  3760.29  612.365  163.061   5.4226  155.418   13.029 7.642731 14.11257 
1 1 1    7   19   23 o  305.194   7.2574 14273.91  676.039 14516.67  805.415 13695.04  1243.71  307.525   8.5807  297.365   13.703 10.15973 16.16783 
1 1 1    7   19   24 o   63.793   4.2467  624.702   82.216  681.766   94.182  441.961  168.540   66.618   4.6613   52.621   10.854 13.99758 11.81265 
1 1 1    7   19   25 f  173.612   7.5191  4620.79  398.438  5827.28  719.089  4086.29  478.628  193.877   12.214  162.740   9.6795 31.13770 15.58455 
1 1 1    7   19   26 o   64.406   3.2201  633.580   63.301  896.968  100.136  458.273   81.695   76.486   4.3069   54.520   4.9637 21.96616 6.571683 
1 1 1    7   19   27 o  231.708   4.9744  8209.94  351.805  8209.94  351.805   0.0000   0.0000  231.708   4.9744  ?   ?  0.000000 4.974440 
1 1 1    7   19   28 o  218.471   6.7529  7311.37  450.299  7311.37  450.299   0.0000   0.0000  218.471   6.7529  ?   ?  0.000000 6.752909 
1 1 1    7   19   29 o  236.902   4.2501  8577.87  307.313  8497.87  379.479  8730.31  523.829  235.699   5.2749  238.663   7.1910 -2.964417 8.918199 
1 1 1    7   19   30 o  341.331   5.1971 17821.33  541.445 18883.42  689.362 16111.07  874.780  351.140   6.4321  323.832   8.8504 27.30814 10.94079 
1 1 1    7   19   31 o   64.936   6.1537  651.399  120.510  745.333  160.429  529.755  182.563   69.281   7.7178   57.720   10.759 11.56176 13.24047 
1 1 1    7   19   32 f  158.862   9.2030  3893.81  444.327   0.0000   0.0000  3893.81  444.327  ?   ?   158.862   9.2030 0.000000 9.203032 
1 1 1    7   19   33 o  119.176   4.6254  2171.92  168.249   0.0000   0.0000  2171.92  168.249  ?   ?   119.176   4.6254 0.000000 4.625360 
1 1 1    7   19   34 o  260.861   4.9738 10410.33  396.016 11489.21  590.596  9528.97  533.802  273.705   7.0695  249.274   7.0160 24.43108 9.960009 
1 1 1    7   19   35 o   50.617   6.4887  399.065   97.940  393.126  100.707  502.715  420.703   50.193   6.7442   58.124   19.800 -7.931011 20.91755 
1 1 1    7   19   36 o   93.414   7.1884  1347.02  203.381  1340.23  224.257  1378.46  482.722   93.055   7.9726   92.022   17.830 1.032829 19.53169 
1 1 1    7   19   37 o   19.590   8.0834   16.850   78.312 -218.9179  183.245   69.531   86.620   21.749   10.309   24.064   8.9011 -2.314882 13.61996 
1 1 1    7   19   38 o   31.603   12.845   64.921  194.049   66.956  794.081   64.791  200.117   58.210   24.963   31.995   13.029 26.21486 28.15860 
1 1 1    7   19   39 o   83.897   3.4093  1075.84   87.304  1112.57  147.848  1056.18  108.178   85.008   5.7317   82.980   4.2858 2.027885 7.156819 
1 1 1    7   19   40 o  124.082   7.8032  2379.14  294.022  2357.35  501.404  2390.56  362.980  121.959   13.707  123.973   9.6691 -2.013893 16.77422 
1 1 1    7   19   41 f   75.700   4.8464  881.262  111.389  875.019  114.927  977.991  452.375   75.409   5.0220   76.433   19.367 -1.024483 20.00787 
1 1 1    7   19   42 o  152.999   4.4878  3584.60  209.576  3389.73  695.008  3604.09  219.807  145.190   15.946  153.390   4.6949 -8.199631 16.62264 
1 1 1    7   19   43 o  209.056   3.2585  6683.00  207.918  6852.33  420.417  6628.17  239.220  211.062   6.5261  208.128   3.7657 2.933624 7.534636 
1 1 1    7   19   44 o   62.842   3.4764  606.022   66.422   0.0000   0.0000  606.022   66.422  ?   ?    62.842   3.4764 0.000000 3.476445 
1 1 1    7   19   45 o  158.437   3.8277  3843.88  185.103  4513.30  922.167  3815.78  188.949  164.662   18.679  157.844   3.9219 6.818085 19.08624 
1 1 1    7   19   46 o   39.600   4.5736  243.760   54.264  346.091  755.538  243.229   54.404   59.930   24.949   39.554   4.5918 20.37627 25.36799 
1 1 1    7   19   47 o  111.162   3.8065  1893.58  129.151  1892.82  237.010  1893.89  154.028  110.372   7.0726  111.075   4.5432 -0.7033539 8.406137 
1 1 1    7   19   48 o   86.715   6.2115  1167.01  163.316  1240.68  205.734  1041.51  268.543   89.052   7.6432   80.363   11.257 8.688652 13.60653 
1 1 1    7   19   49 o   78.669   9.1912  983.227  216.535  1048.05  384.397  953.096  262.071   78.101   16.635   76.582   11.573 1.519348 20.26432 
1 1 1    7   20    0 o   65.368   19.120  804.344  331.324  804.344  331.324  804.344  331.324   65.368   19.120   65.368   19.120 0.000000 0.000000 
1 1 1    7   20    1 o  122.668   13.135  2348.47  484.148  2348.47  484.148   0.0000   0.0000  122.668   13.135  ?   ?  0.000000 13.13509 
1 1 1    7   20    2 o  377.618   24.172 22695.11  2771.44 22695.11  2771.44   0.0000   0.0000  377.618   24.172  ?   ?  0.000000 24.17245 
1 1 1    7   20    3 o  195.575   6.3196  5853.04  377.246  5853.04  377.246   0.0000   0.0000  195.575   6.3196  ?   ?  0.000000 6.319649 
1 1 1    7   20    4 o   85.538   4.7095  1121.69  122.484  1121.69  122.484   0.0000   0.0000   85.538   4.7095  ?   ?  0.000000 4.709539 
1 1 1    7   20    5 o  245.572   7.4294  9237.92  556.867  9237.92  556.867   0.0000   0.0000  245.572   7.4294  ?   ?  0.000000 7.429424 
1 1 1    7   20    6 o  233.932   6.5833  8376.36  470.060  8331.10  516.094  8596.67  1138.61  233.226   7.2499  234.778   15.984 -1.552124 17.55157 
1 1 1    7   20    7 o  172.237   4.8815  4534.77  256.623  4228.68  298.462  5402.73  502.589  166.261   5.8814  187.655   8.7748 -21.39424 10.56349 
1 1 1    7   20    8 o   96.231   4.7012  1415.43  138.083  1350.51  150.149  1771.37  351.574   93.833   5.2639  106.745   10.946 -12.91242 12.14547 
1 1 1    7   20    9 o   71.573   4.9646  786.887  107.785  730.447  116.398  1126.45  285.506   68.882   5.5844   84.804   11.312 -15.92130 12.61557 
1 1 1    7   20   10 o  260.837   12.275 10494.74  977.234 10468.58  1390.50 10520.27  1373.69  258.457   17.734  259.199   17.465 -0.7426453 24.89021 
1 1 1    7   20   11 o  175.282   9.2940  4731.10  495.456  6084.30  720.342  3516.18  682.546  198.297   11.958  149.830   15.132 48.46729 19.28659 
1 1 1    7   20   12 o  114.428   9.0721  2022.68  314.255  1929.44  469.403  2098.41  423.052  110.758   14.213  116.027   12.125 -5.268456 18.68231 
1 1 1    7   20   13 o   94.095   8.1517  1367.90  231.804  2002.33  407.085  1063.48  281.985  113.337   11.948   82.294   11.544 31.04300 16.61371 
1 1 1    7   20   14 o  153.127   4.9652  3585.04  232.062  3515.66  263.536  3824.58  489.663  151.593   5.6957  157.359   10.251 -5.765289 11.72706 
1 1 1    7   20   15 o   50.183   6.2294  391.341   93.364  366.628   96.482  755.178  370.204   48.477   6.6998   68.269   17.640 -19.79212 18.86958 
1 1 1    7   20   16 o   61.877   14.981  617.781  279.917   0.0000   0.0000  617.781  279.917  ?   ?    61.877   14.981 0.000000 14.98130 
1 1 1    7   20   17 o  509.762   22.198 41187.10  3453.74   0.0000   0.0000 41187.10  3453.74  ?   ?   509.762   22.198 0.000000 22.19755 
1 1 1    7   20   18 o  147.142   7.5047  3327.38  335.924  4463.53  614.758  2843.72  401.102  169.658   11.948  135.654   9.7525 34.00484 15.42286 
1 1 1    7   20   19 o   83.478   4.6180  1068.55  117.208  1069.00  133.782  1067.04  243.114   83.435   5.2805   82.732   9.8193 0.7033844 11.14913 
1 1 1    7   20   20 o  179.680   4.9923  4936.91  273.788  5061.02  321.307  4607.93  523.128  181.861   5.7885  172.794   9.9611 9.067398 11.52085 
1 1 1    7   20   21 o  212.878   6.2091  6937.57  403.438  7170.27  996.552  6891.95  441.210  214.203   15.344  212.110   6.8150 2.093246 16.78954 
1 1 1    7   20   22 o  237.937   11.490  8733.01  834.419  8392.20  1171.18  9084.35  1189.12  231.323   16.700  240.879   16.269 -9.555466 23.31462 
1 1 1    7   20   23 o  246.652   6.8322  9319.88  514.351  9328.21  563.631  9278.40  1257.80  246.668   7.4863  243.140   17.057 3.527847 18.62728 
1 1 1    7   20   24 o  207.724   4.3135  6595.19  273.486  6616.07  301.298  6497.51  651.726  208.019   4.7454  205.159   10.442 2.860001 11.46994 
1 1 1    7   20   25 o   84.223   4.6193  1087.72  118.293  1410.01  149.166  541.528  194.184   95.881   5.1156   58.289   11.323 37.59240 12.42477 
1 1 1    7   20   26 o  170.184   4.1079  4426.31  213.380  4430.62  224.607  4386.37  683.455  170.254   4.3222  167.742   13.462 2.511734 14.13932 
1 1 1    7   20   27 o  108.964   3.8672  1814.31  128.617  1824.18  136.326  1734.35  387.980  109.252   4.0882  105.232   12.312 4.019615 12.97311 
1 1 1    7   20   28 f  185.185   4.0313  5241.04  227.860  5904.47  347.638  4741.35  301.707  196.406   5.7990  176.017   5.6158 20.38885 8.072559 
1 1 1    7   20   29 o  172.465   3.5814  4544.57  188.525  4761.29  216.110  3854.46  385.634  176.503   4.0115  158.265   8.0092 18.23856 8.957660 
1 1 1    7   20   30 o  334.143   8.7665 17161.88  894.081   0.0000   0.0000 17161.88  894.081  ?   ?   334.143   8.7665 0.000000 8.766527 
1 1 1    7   20   31 o   78.068   21.501  1002.94  528.633   0.0000   0.0000  1002.94  528.633  ?   ?    78.068   21.501 0.000000 21.50116 
1 1 1    7   20   32 o  322.844   7.5168 15997.53  740.700 16244.38  879.390 15394.78  1374.14  324.963   8.8661  314.356   14.322 10.60645 16.84389 
1 1 1    7   20   33 o  215.155   4.3971  7079.16  288.756  7409.80  989.555  7048.38  301.895  217.281   15.013  214.665   4.6076 2.615585 15.70434 
1 1 1    7   20   34 o  165.279   3.2901  4173.94  165.976  4183.04  222.125  4162.44  249.748  165.380   4.4005  164.924   4.9614 0.4559174 6.631671 
1 1 1    7   20   35 o  132.990   2.6755  2701.40  108.602  2905.69  170.228  2561.18  141.032  137.852   4.0458  129.449   3.5694 8.402084 5.395292 
1 1 1    7   20   36 o  189.409   3.3188  5482.61  191.866  5934.99  258.257  4925.35  286.634  196.977   4.2956  179.341   5.2364 17.63559 6.772864 
1 1 1    7   20   37 o  151.391   3.7727  3504.43  174.330  3616.20  258.470  3411.14  236.124  153.621   5.5124  149.237   5.1838 4.384171 7.566917 
1 1 1    7   20   38 o  171.048   8.7657  4525.75  456.099  5301.33  1027.65  4335.49  508.975  180.971   18.883  167.058   10.028 13.91315 21.38041 
1 1 1    7   20   39 o  199.936   11.639  6248.49  707.216  6636.22  1176.74  6029.26  884.846  201.997   19.322  194.878   14.991 7.118484 24.45551 
1 1 1    7   20   40 o  145.706   9.5835  3303.78  423.829   0.0000   0.0000  3303.78  423.829  ?   ?   145.706   9.5835 0.000000 9.583517 
1 1 1    7   20   41 o  161.552   3.5158  3992.15  173.363  4011.25  270.907  3978.90  225.606  161.673   5.4899  161.155   4.5866 0.5181427 7.153751 
1 1 1    7   20   42 f  101.403   4.3295  1575.27  134.000   0.0000   0.0000  1575.27  134.000  ?   ?   101.403   4.3295 0.000000 4.329485 
1 1 1    7   20   43 o  169.870   3.9140  4419.08  202.936  5395.63  338.557  3871.45  253.531  187.284   5.9226  158.779   5.2314 28.50414 7.902234 
1 1 1    7   20   44 o   34.511   4.7278  186.134   48.491   28.879  162.183  201.572   50.816   27.560   11.523   35.934   4.7495 -8.374002 12.46388 
1 1 1    7   20   45 o  137.762   4.3235  2911.35  181.795  3460.71  892.808  2887.58  185.685  140.870   21.441  137.180   4.4347 3.689651 21.89498 
1 1 1    7   20   46 o   53.016   4.9565  435.833   79.274  330.366  742.105  437.051   79.730   58.434   24.555   53.087   4.9787 5.347446 25.05424 
1 1 1    7   20   47 o   89.732   5.6004  1246.18  152.618   0.0000   0.0000  1246.18  152.618  ?   ?    89.732   5.6004 0.000000 5.600372 
1 1 1    7   21    0 o  320.543   9.2347 15763.95  901.804 15763.95  901.804 15763.95  901.804  320.543   9.2347  320.543   9.2347 -0.000000 0.000000 
1 1 1    7   21    1 o  362.487   10.164 20208.08  1124.59 18726.38  1236.44 27303.65  2705.75  348.533   11.623  415.396   21.413 -66.86331 24.36450 
1 1 1    7   21    2 o  475.774   20.681 35655.75  3003.28 35817.19  4246.75 35494.23  4247.82  468.246   29.870  465.961   30.027 2.284546 42.35408 
1 1 1    7   21    3 o  457.093   29.313 34059.81  4067.99 34059.81  4067.99   0.0000   0.0000  457.093   29.313  ?   ?  0.000000 29.31260 
1 1 1    7   21    4 o  334.175   14.935 17330.05  1523.34 19773.86  2154.19 14885.56  2154.49  354.122   20.012  305.331   23.294 48.79065 30.70995 
1 1 1    7   21    5 o  300.028   7.7407 13800.14  708.862 14006.55  779.052 12806.99  1708.84  302.133   8.4479  284.861   19.777 17.27164 21.50536 
1 1 1    7   21    6 o  114.853   4.9943  2016.96  175.078  2016.96  175.078   0.0000   0.0000  114.853   4.9943  ?   ?  0.000000 4.994273 
1 1 1    7   21    7 o   58.712   5.1810  531.232   91.892  531.232   91.892   0.0000   0.0000   58.712   5.1810  ?   ?  0.000000 5.180962 
1 1 1    7   21    8 o  140.661   5.3283  3026.12  228.758  3026.12  228.758   0.0000   0.0000  140.661   5.3283  ?   ?  0.000000 5.328272 
1 1 1    7   21    9 o  144.474   5.4088  3192.68  238.509  3192.68  238.509   0.0000   0.0000  144.474   5.4088  ?   ?  0.000000 5.408764 
1 1 1    7   21   10 o  364.237   9.3613 20386.27  1040.72 20478.71  1142.44 19935.38  2523.11  364.811   10.260  353.130   23.544 11.68076 25.68243 
1 1 1    7   21   11 o  244.773   17.137  9398.40  1272.25  9398.40  1272.25   0.0000   0.0000  244.773   17.137  ?   ?  0.000000 17.13727 
1 1 1    7   21   12 o  397.031   17.487 24643.35  2119.07 23867.34  2993.56 25422.76  3000.09  384.789   25.635  397.822   24.832 -13.03278 35.69011 
1 1 1    7   21   13 o  196.987   10.800  5994.83  646.853   0.0000   0.0000  5994.83  646.853  ?   ?   196.987   10.800 0.000000 10.79963 
1 1 1    7   21   14 o  306.387   14.322 14563.93  1339.37   0.0000   0.0000 14563.93  1339.37  ?   ?   306.387   14.322 0.000000 14.32237 
1 1 1    7   21   15 o  140.258   10.964  3049.49  465.655   0.0000   0.0000  3049.49  465.655  ?   ?   140.258   10.964 0.000000 10.96449 
1 1 1    7   21   16 o   82.423   4.8147  1042.26  120.598  1028.14  129.911  1130.33  324.370   81.822   5.2292   84.542   12.986 -2.720184 13.99912 
1 1 1    7   21   17 o  131.981   8.0251  2682.15  321.744  2918.65  554.707  2562.24  394.973  136.640   13.476  128.640   10.142 8.000534 16.86587 
1 1 1    7   21   18 o   34.308   11.850  164.592  150.837  304.270  240.956   74.585  193.424   45.274   14.981   32.086   12.901 13.18840 19.76982 
1 1 1    7   21   19 o  113.894   4.2394  1982.60  147.375  2030.57  167.388  1817.22  310.811  115.241   4.7588  108.311   9.4976 6.930580 10.62317 
1 1 1    7   21   20 o  237.494   6.4352  8637.51  466.479  8132.29  552.017  9899.42  872.416  230.249   7.8548  253.348   11.282 -23.09900 13.74714 
1 1 1    7   21   21 o  134.511   3.6819  2764.39  151.164  3629.99  545.738  2692.46  157.320  152.899   11.785  132.741   3.8829 20.15758 12.40807 
1 1 1    7   21   22 o  187.834   4.3549  5393.04  249.674  5313.30  261.549  6211.78  838.089  186.423   4.5966  199.679   13.837 -13.25581 14.58006 
1 1 1    7   21   23 o  174.964   4.1782  4678.84  223.129  4778.76  234.100  3687.09  737.523  176.813   4.3378  152.975   16.034 23.83772 16.61042 
1 1 1    7   21   24 o  298.851   6.0232 13673.31  549.418 13673.31  549.418   0.0000   0.0000  298.851   6.0232  ?   ?  0.000000 6.023243 
1 1 1    7   21   25 o  188.971   5.3761  5463.85  310.082  5649.61  341.522  4592.01  739.874  192.114   5.8243  171.349   14.277 20.76500 15.41912 
1 1 1    7   21   26 o  262.189   4.4592 10510.12  356.855 10673.85  441.810 10202.81  605.273  264.101   5.4809  257.865   7.6903 6.235931 9.443523 
1 1 1    7   21   27 o  227.645   4.5990  7924.46  319.553  8047.13  337.064  6835.00  1004.47  229.378   4.8144  208.594   15.897 20.78461 16.60959 
1 1 1    7   21   28 o  100.848   6.4634  1564.75  197.902  1592.01  246.845  1515.71  331.111  101.506   8.0330   98.442   11.220 3.063202 13.79945 
1 1 1    7   21   29 o  154.626   9.5511  3696.15  448.560   0.0000   0.0000  3696.15  448.560  ?   ?   154.626   9.5511 0.000000 9.551091 
1 1 1    7   21   30 o  151.898   4.8088  3529.80  222.950   0.0000   0.0000  3529.80  222.950  ?   ?   151.898   4.8088 0.000000 4.808823 
1 1 1    7   21   31 o  119.914   4.0895  2198.52  149.677  2319.43  180.361  1931.03  268.262  123.125   4.7993  111.827   7.9106 11.29784 9.252576 
1 1 1    7   21   32 o  144.052   3.0472  3170.23  133.977  3392.60  182.072  2907.64  197.855  148.960   4.0046  137.855   4.7023 11.10553 6.176411 
1 1 1    7   21   33 o  239.444   5.3730  8780.62  392.682  9052.28  488.138  8282.40  661.057  242.906   6.5840  231.728   9.3464 11.17772 11.43255 
1 1 1    7   21   34 o   23.049   7.7845   76.026   65.020   73.111   72.978   87.248  143.185   23.322   8.2306   29.258   11.301 -5.936304 13.98050 
1 1 1    7   21   35 o  117.264   2.9442  2101.05  105.377  2250.01  145.785  1938.07  152.491  121.293   3.9379  112.539   4.4394 8.753975 5.934226 
1 1 1    7   21   36 o   21.512   7.7775   59.144   65.567   51.236   72.769   93.260  151.153   21.469   8.1139   30.073   11.612 -8.604059 14.16632 
1 1 1    7   21   37 o   98.451   5.0095  1488.89  150.037  1492.24  164.362  1472.14  367.465   98.498   5.4889   96.186   12.837 2.311287 13.96121 
1 1 1    7   21   38 o   76.265   4.5152  893.849  104.636  1066.27  474.662  885.042  107.275   79.494   19.670   75.871   4.6549 3.623192 20.21338 
1 1 1    7   21   39 o  129.167   3.0849  2550.76  121.621  2639.81  217.963  2510.49  146.558  131.156   5.4447  128.090   3.7487 3.066315 6.610434 
1 1 1    7   21   40 o  161.885   5.3255  4022.86  263.137   0.0000   0.0000  4022.86  263.137  ?   ?   161.885   5.3255 0.000000 5.325475 
1 1 1    7   21   41 o   90.426   3.1809  1250.76   87.793  1414.00  212.606  1217.20   96.396   95.395   7.3587   89.180   3.5414 6.215561 8.166495 
1 1 1    7   21   42 o  197.479   5.1332  5991.06  309.402  6399.34  374.612  5114.83  548.799  203.844   6.0210  180.556   9.9972 23.28841 11.67033 
1 1 1    7   21   43 o  174.651   3.7637  4673.37  200.634  5278.60  337.276  4341.91  249.599  185.069   5.9709  168.124   4.8640 16.94499 7.701299 
1 1 1    7   21   44 o   48.562   5.3599  367.320   78.123  412.383  175.208  356.138   87.279   50.014   11.688   47.657   6.1433 2.357025 13.20394 
1 1 1    7   21   45 o   83.397   16.412  1185.82  402.877  1145.20  788.362  1200.18  468.699   77.557   27.075   82.563   18.994 -5.005524 33.07310 
1 1 1    7   22    0 o  463.458   29.090 34139.64  4077.80 34139.64  4077.80 34139.64  4077.80  463.458   29.090  463.458   29.090 0.000000 0.000000 
1 1 1    7   22    1 o  287.085   11.701 12718.35  1025.28 19771.13  1460.57  5866.86  1439.57  357.329   13.392  189.680   25.512 167.6492 28.81359 
1 1 1    7   22    2 o  144.963   9.1658  3241.61  403.459  4064.27  584.866  2494.71  557.288  161.831   11.925  125.922   14.781 35.90906 18.99147 
1 1 1    7   22    3 o  182.626   9.9776  5146.26  554.064  5372.12  794.203  4932.12  773.342  185.600   14.126  177.724   14.380 7.876205 20.15703 
1 1 1    7   22    4 o  177.336   9.9739  4853.37  537.666  3788.50  765.339  5891.05  755.505  155.045   16.423  194.773   12.779 -39.72728 20.80892 
1 1 1    7   22    5 o  360.040   15.948 20195.95  1752.58 20697.00  2481.06 19696.95  2475.99  360.110   22.689  350.887   23.250 9.222809 32.48640 
1 1 1    7   22    6 o  245.035   10.988  9254.24  821.805 11687.39  1173.76  6914.60  1150.99  274.164   14.074  209.296   18.199 64.86839 23.00579 
1 1 1    7   22    7 o  156.382   8.9621  3769.01  425.993  4537.79  621.274  3086.85  585.231  171.021   11.977  140.470   13.829 30.55151 18.29496 
1 1 1    7   22    8 o   44.501   12.986  312.256  187.314  357.272  304.134  284.744  237.760   49.553   16.836   44.194   14.886 5.359253 22.47288 
1 1 1    7   22    9 o  309.753   7.7989 14716.71  737.335 15029.71  810.886 13222.35  1771.80  312.884   8.4910  288.840   20.225 24.04437 21.93515 
1 1 1    7   22   10 o  290.076   11.934 12993.93  1056.63   0.0000   0.0000 12993.93  1056.63  ?   ?   290.076   11.934 0.000000 11.93425 
1 1 1    7   22   11 o  358.979   14.757 20025.13  1616.93   0.0000   0.0000 20025.13  1616.93  ?   ?   358.979   14.757 0.000000 14.75722 
1 1 1    7   22   12 o  292.108   20.034 13517.12  1775.37   0.0000   0.0000 13517.12  1775.37  ?   ?   292.108   20.034 0.000000 20.03367 
1 1 1    7   22   13 o  115.539   11.372  2078.62  395.839  2784.02  510.757  1017.72  626.372  133.588   12.678   79.230   23.905 54.35763 27.05929 
1 1 1    7   22   14 o  279.428   10.778 12032.69  919.190 13042.02  1583.50 11519.75  1128.85  287.854   18.115  272.636   13.565 15.21814 22.63167 
1 1 1    7   22   15 o   47.255   6.1906  347.691   87.142  347.192   88.809  360.599  451.874   47.201   6.3233   54.212   20.275 -7.010735 21.23818 
1 1 1    7   22   16 o   60.555   4.7788  564.171   87.608  551.251   91.131  721.656  318.176   59.826   5.0376   66.753   15.852 -6.927368 16.63349 
1 1 1    7   22   17 o  136.975   8.0339  2888.84  334.410  3087.70  529.355  2756.78  431.392  140.783   12.447  133.336   10.690 7.446182 16.40770 
1 1 1    7   22   18 o  203.957   8.7467  6390.35  544.503  6463.53  909.867  6349.51  679.639  203.389   14.757  202.621   11.031 0.7675323 18.42429 
1 1 1    7   22   19 o  259.473   6.5020 10312.65  514.940 10247.50  607.910 10478.14  968.863  258.460   7.7060  260.346   12.193 -1.886047 14.42360 
1 1 1    7   22   20 o   14.719   5.8701   16.400   39.701   91.786   59.421 -44.3905   53.359   24.388   7.3639   12.687   5.8641 11.70118 9.413534 
1 1 1    7   22   21 o  190.138   14.693  5655.94  846.096  5655.94  846.096   0.0000   0.0000  190.138   14.693  ?   ?  0.000000 14.69324 
1 1 1    7   22   22 o   84.585   14.825  1144.54  368.793  1144.54  368.793   0.0000   0.0000   84.585   14.825  ?   ?  0.000000 14.82524 
1 1 1    7   22   23 o  178.714   4.5435  4883.69  247.839  4883.69  247.839   0.0000   0.0000  178.714   4.5435  ?   ?  0.000000 4.543543 
1 1 1    7   22   24 o  208.144   4.8578  6626.81  308.621  6626.81  308.621   0.0000   0.0000  208.144   4.8578  ?   ?  0.000000 4.857843 
1 1 1    7   22   25 o  208.851   6.6521  6686.04  424.044  6686.04  424.044   0.0000   0.0000  208.851   6.6521  ?   ?  0.000000 6.652080 
1 1 1    7   22   26 o  124.012   6.1556  2356.18  233.000  2394.86  271.867  2249.17  452.205  124.737   7.1709  119.810   12.552 4.927185 14.45622 
1 1 1    7   22   27 o  169.385   13.661  4492.91  700.262   0.0000   0.0000  4492.91  700.262  ?   ?   169.385   13.661 0.000000 13.66086 
1 1 1    7   22   28 o  145.235   10.088  3270.58  444.405   0.0000   0.0000  3270.58  444.405  ?   ?   145.235   10.088 0.000000 10.08774 
1 1 1    7   22   29 o  273.360   6.1060 11453.34  509.460 11850.42  645.381 10796.77  829.893  277.726   7.6135  264.364   10.285 13.36221 12.79631 
1 1 1    7   22   30 o   81.928   3.9744  1026.33   99.384  1027.90  113.519  1021.17  205.658   81.839   4.5627   81.023   8.4400 0.8167191 9.594384 
1 1 1    7   22   31 o  182.370   3.1925  5082.31  177.706  5069.61  235.650  5099.05  270.584  182.051   4.2409  182.514   4.8572 -0.4623871 6.448094 
1 1 1    7   22   32 o   66.095   3.1559  667.586   63.665  796.845   96.537  568.097   84.694   72.030   4.4123   60.753   4.6016 11.27735 6.375133 
1 1 1    7   22   33 o  125.794   3.6203  2419.49  139.001  2217.84  234.757  2528.35  172.489  120.025   6.4315  128.535   4.3967 -8.509872 7.790670 
1 1 1    7   22   34 o  191.694   2.7525  5614.49  161.045  6032.45  263.378  5364.90  203.526  198.529   4.3465  187.312   3.5599 11.21733 5.618249 
1 1 1    7   22   35 o  126.709   3.6084  2455.48  139.555  2253.62  207.035  2623.57  188.926  121.207   5.5963  130.874   4.7296 -9.666885 7.327155 
1 1 1    7   22   36 o   88.634   4.4969  1206.29  121.255   0.0000   0.0000  1206.29  121.255  ?   ?    88.634   4.4969 0.000000 4.496868 
1 1 1    7   22   37 o   96.125   2.4015  1411.72   70.459  1575.85  146.653  1362.47   80.339  101.396   4.7386   94.415   2.7878 6.980652 5.497890 
1 1 1    7   22   38 o   60.336   4.2451  560.423   77.679  650.944  391.008  556.704   79.259   62.441   18.898   60.122   4.3485 2.319489 19.39188 
1 1 1    7   22   39 o  212.920   5.0072  6959.19  325.409  7275.19  1169.26  6932.66  338.794  209.516   18.473  212.459   5.2245 -2.943008 19.19785 
1 1 1    7   22   40 o  112.109   4.2484  1926.96  145.373  2204.98  830.962  1918.18  147.650  109.816   25.311  111.844   4.3252 -2.027428 25.67741 
1 1 1    7   22   41 o   98.728   4.1669  1494.80  125.567  1657.10  221.658  1418.10  152.375  103.247   7.0764   95.890   5.2260 7.357483 8.796971 
1 1 1    7   22   42 f  153.162   5.8720  3617.73  274.505  3706.39  300.231  3165.90  677.768  154.890   6.3506  137.725   16.449 17.16554 17.63206 
1 1 1    7   22   43 o  225.397   5.1339  7820.70  353.192  8224.76  513.057  7456.73  486.943  230.131   7.3042  219.136   7.2803 10.99568 10.31279 
1 1 1    7   23    0 o  299.572   19.675 14064.37  1781.24 14064.37  1781.24 14064.37  1781.24  299.572   19.675  299.572   19.675 0.000000 0.000000 
1 1 1    7   23    1 f  316.102   8.1187 15335.10  783.309 15572.55  860.533 14187.41  1891.88  318.371   8.8556  298.727   20.881 19.64413 22.68083 
1 1 1    7   23    2 o  320.685   7.6477 15773.01  748.556 16426.65  823.346 12657.55  1797.51  327.129   8.2461  282.002   21.035 45.12744 22.59338 
1 1 1    7   23    3 o  236.599   4.9566  8561.06  357.945 10063.30  507.858  7078.16  504.580  256.326   6.4913  214.816   7.6957 41.51056 10.06778 
1 1 1    7   23    4 o  234.810   7.0269  8450.00  503.614  8049.83  552.214 10427.91  1227.70  229.056   7.8986  258.257   15.649 -29.20152 17.52902 
1 1 1    7   23    5 o  370.994   9.2319 21158.45  1045.38 21535.76  1149.77 19359.03  2510.88  374.029   10.071  347.099   23.845 26.93054 25.88467 
1 1 1    7   23    6 o  195.350   9.1361  5865.64  544.744  8947.45  789.594  3066.49  752.512  240.945   10.737  138.708   18.215 102.2372 21.14371 
1 1 1    7   23    7 o  191.426   14.371  5721.90  833.541   0.0000   0.0000  5721.90  833.541  ?   ?   191.426   14.371 0.000000 14.37107 
1 1 1    7   23    8 o  286.437   19.042 12963.66  1655.26   0.0000   0.0000 12963.66  1655.26  ?   ?   286.437   19.042 0.000000 19.04150 
1 1 1    7   23    9 o  341.232   22.175 18592.38  2297.02   0.0000   0.0000 18592.38  2297.02  ?   ?   341.232   22.175 0.000000 22.17492 
1 1 1    7   23   10 o  218.853   16.055  7510.12  1064.99  7510.12  1064.99   0.0000   0.0000  218.853   16.055  ?   ?  0.000000 16.05532 
1 1 1    7   23   11 o  101.749   5.0434  1583.47  156.629  1583.47  156.629   0.0000   0.0000  101.749   5.0434  ?   ?  0.000000 5.043416 
1 1 1    7   23   12 f  222.933   6.4236  7612.13  437.091  7687.89  472.642  7164.60  1148.75  223.976   6.9137  213.039   17.830 10.93707 19.12394 
1 1 1    7   23   13 o  198.079   6.4456  6009.71  389.689  6009.71  389.689   0.0000   0.0000  198.079   6.4456  ?   ?  0.000000 6.445573 
1 1 1    7   23   14 o  195.518   10.469  5907.10  622.497  5652.14  893.987  6147.08  867.306  189.817   15.567  198.375   14.423 -8.557800 21.22181 
1 1 1    7   23   15 o  296.707   13.586 13658.59  1230.33 12568.32  1712.47 14821.76  1768.79  281.275   20.079  306.159   19.022 -24.88342 27.65887 
1 1 1    7   23   16 o  271.088   7.1408 11267.31  590.842 11740.86  645.148  8804.46  1471.29  276.633   7.6408  234.826   20.741 41.80716 22.10328 
1 1 1    7   23   17 o  183.418   5.3494  5147.79  299.479  5419.08  325.236  3635.62  767.855  188.160   5.6631  151.498   16.893 36.66180 17.81730 
1 1 1    7   23   18 o  154.971   13.410  3753.46  628.070  3753.46  628.070   0.0000   0.0000  154.971   13.410  ?   ?  0.000000 13.41041 
1 1 1    7   23   19 o  178.946   14.190  5010.54  768.680  5010.54  768.680   0.0000   0.0000  178.946   14.190  ?   ?  0.000000 14.18998 
1 1 1    7   23   20 o  220.838   6.2627  7471.43  422.138  7505.83  462.422  7299.38  1034.10  221.263   6.8472  215.529   15.830 5.733871 17.24760 
1 1 1    7   23   21 o   90.314   4.6201  1250.70  126.931  1227.33  135.718  1413.90  358.595   89.428   4.9921   94.678   12.732 -5.250648 13.67543 
1 1 1    7   23   22 o  348.257   12.600 18813.09  1339.36 17077.56  2315.12 19686.18  1642.06  324.652   23.523  354.968   15.156 -30.31638 27.98282 
1 1 1    7   23   23 o  109.792   4.5215  1843.64  151.522  1791.54  170.352  2040.99  331.550  108.194   5.1585  114.702   9.5572 -6.507797 10.86052 
1 1 1    7   23   24 o   57.785   14.286  541.211  250.546  1495.96  955.820  470.771  259.624   94.179   29.732   54.077   15.133 40.10126 33.36168 
1 1 1    7   23   25 o  155.683   10.905  3766.71  514.921  4915.59  1077.20  3426.43  586.238  174.237   20.658  147.843   13.128 26.39386 24.47614 
1 1 1    7   23   26 o  256.931   17.655 10491.00  1376.11   0.0000   0.0000 10491.00  1376.11  ?   ?   256.931   17.655 0.000000 17.65483 
1 1 1    7   23   27 o  162.752   3.8936  4050.00  193.416  4087.43  290.506  4020.20  259.223  163.312   5.8280  162.028   5.2416 1.283508 7.838376 
1 1 1    7   23   28 o   99.784   9.3046  1549.47  280.115  1530.39  442.740  1562.20  361.714   97.579   15.374   99.528   12.160 -1.948883 19.60176 
1 1 1    7   23   29 o   89.082   3.3748  1212.96   91.762  2119.61  944.727  1204.33   92.198  110.057   28.043   88.764   3.4030 21.29282 28.24902 
1 1 1    7   23   30 o   21.948   6.1585   75.941   42.937  173.793   77.344   32.350   51.623   32.948   7.8100   17.735   6.8025 15.21273 10.35715 
1 1 1    7   23   31 o   60.056   3.1240  552.745   57.068  733.287  187.769  534.372   59.901   68.275   9.2484   59.029   3.3384 9.246063 9.832459 
1 1 1    7   23   32 o  254.046   4.8936  9887.91  379.452 10357.77  588.082  9552.76  496.676  259.355   7.4289  249.326   6.5266 10.02853 9.888673 
1 1 1    7   23   33 o   69.160   3.1290  731.208   66.051  629.596  111.641  785.929   81.928   63.785   5.7978   71.576   3.7634 -7.791145 6.912107 
1 1 1    7   23   34 o   76.204   4.7895  893.531  110.835  874.426  122.160  982.480  263.583   75.305   5.3496   78.547   11.321 -3.241539 12.52161 
1 1 1    7   23   35 o  219.489   4.2158  7378.84  282.430  7500.00  323.431  6989.79  579.569  221.167   4.7912  212.285   8.9448 8.882828 10.14715 
1 1 1    7   23   36 o  149.793   3.6316  3434.36  166.040  3450.80  265.770  3423.83  212.647  149.809   5.8123  149.421   4.6626 0.3872986 7.451397 
1 1 1    7   23   37 o  202.032   5.0751  6268.32  312.954  6654.41  405.585  5700.21  491.992  207.780   6.3953  191.616   8.4122 16.16370 10.56716 
1 1 1    7   23   38 o  110.209   4.7589  1864.81  160.081  2447.25  755.736  1837.45  163.797  118.147   21.759  109.377   4.9064 8.769661 22.30510 
1 1 1    7   23   39 o   63.286   4.3978  617.560   84.422  555.904  724.648  618.408   85.001   63.153   25.112   63.325   4.4256 -0.1724701 25.49911 
1 1 1    7   23   40 o   40.928   7.9986  269.293   96.336  491.303  755.291  265.621   97.130   61.829   25.260   40.617   8.1187 21.21171 26.53242 
1 1 1    7   23   41 o  149.027   5.4327  3423.11  247.116  3593.93  282.001  2857.98  512.926  152.517   6.0578  132.701   12.824 19.81598 14.18241 
1 1 1    7   23   42 o   67.094   9.6183  722.717  191.334  722.717  191.334   0.0000   0.0000   67.094   9.6183  ?   ?  0.000000 9.618311 
1 1 1    7   24    0 o  217.351   16.002  7395.04  1048.37  7395.04  1048.37  7395.04  1048.37  217.351   16.002  217.351   16.002 0.000000 0.000000 
1 1 1    7   24    1 o  336.553   15.214 17646.44  1562.81 16117.77  2211.87 19170.36  2208.43  316.780   23.034  347.072   20.945 -30.29141 31.13311 
1 1 1    7   24    2 o  385.837   16.680 23289.27  1964.29 26857.90  2783.36 19748.37  2772.53  409.866   22.333  348.241   26.278 61.62546 34.48627 
1 1 1    7   24    3 o  110.907   13.609  1935.57  451.017   0.0000   0.0000  1935.57  451.017  ?   ?   110.907   13.609 0.000000 13.60896 
1 1 1    7   24    4 f  119.132   13.335  2226.75  476.580   0.0000   0.0000  2226.75  476.580  ?   ?   119.132   13.335 0.000000 13.33538 
1 1 1    7   24    7 o  261.644   6.9529 10493.79  555.254 10640.99  609.873  9780.67  1342.37  263.362   7.5870  248.992   17.780 14.37048 19.33128 
1 1 1    7   24    8 o  245.064   7.4579  9212.40  557.842  9212.40  557.842   0.0000   0.0000  245.064   7.4579  ?   ?  0.000000 7.457854 
1 1 1    7   24    9 o  194.715   6.3731  5807.93  378.761  5807.93  378.761   0.0000   0.0000  194.715   6.3731  ?   ?  0.000000 6.373075 
1 1 1    7   24   10 o   76.816   19.610  967.809  461.349  967.809  461.349   0.0000   0.0000   76.816   19.610  ?   ?  0.000000 19.60990 
1 1 1    7   24   11 o  196.834   10.513  5991.06  629.337  6018.69  912.285  5965.98  869.305  195.843   15.386  195.212   14.698 0.6305847 21.27764 
1 1 1    7   24   12 o  402.112   17.746 25421.33  2178.00 25912.61  3084.36 24932.72  3075.96  399.197   25.447  391.108   25.914 8.088562 36.31896 
1 1 1    7   24   13 o  104.039   4.3700  1654.96  138.770  1759.21  151.674  1119.28  343.816  107.254   4.6332   83.798   13.931 23.45544 14.68166 
1 1 1    7   24   14 o  214.906   5.5040  7069.32  361.033  7524.88  419.466  5767.33  709.131  221.633   6.2008  192.644   12.122 28.98894 13.61588 
1 1 1    7   24   15 o   93.760   12.693  1386.71  353.912  1397.68  434.490  1365.09  610.091   93.343   15.815   90.639   22.223 2.703278 27.27631 
1 1 1    7   24   16 o  116.750   8.3987  2105.76  297.288  1673.01  496.814  2347.15  371.050  102.103   16.505  123.001   9.9691 -20.89780 19.28198 
1 1 1    7   24   17 o   36.490   7.5278  211.872   81.059  218.322   85.489  154.424  255.124   37.017   7.8120   38.876   15.066 -1.859741 16.97050 
1 1 1    7   24   18 o  115.556   4.2834  2041.85  151.077  2170.33  162.468  1220.82  410.705  119.126   4.4683   86.972   16.063 32.15385 16.67313 
1 1 1    7   24   19 o  230.005   11.329  8187.01  795.327  8245.63  1126.87  8128.83  1122.67  228.633   16.254  226.973   16.314 1.660248 23.02917 
1 1 1    7   24   20 o  132.524   7.8196  2707.90  314.897  2325.09  510.561  2942.91  400.049  121.337   14.046  137.835   9.5683 -16.49878 16.99510 
1 1 1    7   24   21 o  115.424   4.3706  2037.70  153.976  2013.46  177.598  2111.07  308.987  114.691   5.0733  116.780   8.7319 -2.088882 10.09874 
1 1 1    7   24   22 o  143.095   9.0283  3167.61  392.299   0.0000   0.0000  3167.61  392.299  ?   ?   143.095   9.0283 0.000000 9.028330 
1 1 1    7   24   23 o  103.446   8.7986  1660.37  275.168   0.0000   0.0000  1660.37  275.168  ?   ?   103.446   8.7986 0.000000 8.798561 
1 1 1    7   24   24 o  320.792   7.6493 15823.70  748.966 16038.38  891.725 15309.54  1380.00  322.473   9.0598  312.527   14.467 9.946289 17.06956 
1 1 1    7   24   25 o   65.468   4.4612  658.888   88.615  676.318  102.444  607.083  176.612   66.260   5.1048   61.977   9.6504 4.282928 10.91739 
1 1 1    7   24   26 o   89.159   9.5833  1242.44  256.700  1188.63  398.500  1280.60  335.607   85.512   15.852   89.791   12.592 -4.278206 20.24429 
1 1 1    7   24   27 o   57.551   4.8527  510.801   84.447  510.242   89.577  515.262  253.176   57.480   5.1608   56.188   14.622 1.291809 15.50581 
1 1 1    7   24   28 o  105.514   4.7849  1705.15  154.100  1664.90  167.571  1925.73  392.283  104.088   5.2919  110.547   11.809 -6.459030 12.94042 
1 1 1    7   24   29 o  108.285   3.3336  1792.75  110.180  1677.05  447.675  1800.21  113.677  102.052   14.804  108.504   3.4325 -6.451317 15.19703 
1 1 1    7   24   30 f  129.817   3.6327  2577.86  143.938  2384.61  212.475  2741.76  195.680  124.659   5.5843  133.765   4.7928 -9.106102 7.358988 
1 1 1    7   24   31 o   36.050   12.559  184.805  169.594  327.782  321.166  129.521  199.708   48.068   17.234   34.625   13.354 13.44228 21.80215 
1 1 1    7   24   32 o   50.555   4.7730  395.281   72.778  337.056   90.867  499.466  121.550   46.336   6.6125   56.467   7.2177 -10.13023 9.788740 
1 1 1    7   24   33 o  153.755   4.5647  3624.35  214.219  3526.07  260.340  3830.41  376.966  151.476   5.6309  157.365   7.8483 -5.889145 9.659374 
1 1 1    7   24   34 o  110.641   4.7359  1878.21  159.932  2073.89  212.218  1621.00  243.311  115.920   6.0187  102.018   7.8749 13.90239 9.911538 
1 1 1    7   24   35 o  130.541   3.8589  2610.71  153.753  2777.30  261.366  2522.55  190.132  134.195   6.3811  128.174   4.8600 6.020859 8.021150 
1 1 1    7   24   36 o   76.191   6.3221  901.817  145.694  1013.14  186.966  729.706  232.473   80.458   7.7077   66.968   11.805 13.49022 14.09818 
1 1 1    7   24   37 o  154.515   5.5657  3677.87  262.487  3779.12  296.824  3314.61  562.215  156.447   6.2160  143.245   13.001 13.20174 14.41016 
1 1 1    7   24   38 o   71.584   12.990  846.384  273.358   0.0000   0.0000  846.384  273.358  ?   ?    71.584   12.990 0.000000 12.98963 
1 1 1    7   24   39 o   93.031   11.093  1394.25  308.767  1714.35  847.099  1345.21  331.579   92.142   27.800   90.837   12.274 1.304993 30.38861 
1 1 1    7   25    2 o  229.542   16.488  8298.71  1147.48   0.0000   0.0000  8298.71  1147.48  ?   ?   229.542   16.488 0.000000 16.48803 
1 1 1    7   25    3 o  292.312   13.637 13283.76  1216.68 10986.06  1722.01 15574.25  1719.30  261.369   21.784  313.908   18.020 -52.53833 28.27125 
1 1 1    7   25    4 o  552.539   13.878 47497.46  2340.56 47501.63  2575.90 47477.75  5605.08  551.429   15.305  525.205   35.168 26.22308 38.35419 
1 1 1    7   25    5 o  536.460   11.849 44545.11  1940.08 46885.83  2135.39 33476.55  4643.52  549.783   12.725  441.227   34.762 108.5560 37.01762 
1 1 1    7   25    6 o  348.710   9.9774 18745.83  1061.94 18745.83  1061.94   0.0000   0.0000  348.710   9.9774  ?   ?  0.000000 9.977406 
1 1 1    7   25    7 o  376.209   24.768 23041.17  2828.20 23041.17  2828.20   0.0000   0.0000  376.209   24.768  ?   ?  0.000000 24.76850 
1 1 1    7   25    8 o  235.009   17.185  8728.61  1224.14  8728.61  1224.14   0.0000   0.0000  235.009   17.185  ?   ?  0.000000 17.18516 
1 1 1    7   25    9 o  216.479   10.677  7237.40  705.443  8239.41  1027.79  6344.89  970.007  229.306   14.763  200.649   15.971 28.65720 21.74929 
1 1 1    7   25   10 f  188.150   5.1556  5417.79  296.075  5721.54  324.619  3914.88  722.071  193.315   5.5016  157.566   15.203 35.74950 16.16773 
1 1 1    7   25   11 o  375.202   9.6624 21700.14  1106.54 21709.30  1217.54 21656.66  2652.61  374.884   10.641  364.963   23.945 9.921173 26.20316 
1 1 1    7   25   12 o   67.568   11.523  725.759  229.126  949.048  425.670  634.673  271.872   75.987   18.522   62.561   14.518 13.42581 23.53366 
1 1 1    7   25   13 o  113.510   9.3329  1998.39  320.485  2035.19  480.075  1968.80  430.444  113.398   14.180  111.868   12.839 1.529716 19.12911 
1 1 1    7   25   14 o   91.290   9.9521  1300.81  272.810  1250.83  422.343  1336.58  357.368   87.914   16.341   91.821   13.125 -3.906128 20.95917 
1 1 1    7   25   15 o  203.952   6.0616  6375.11  377.340  6416.37  408.291  6133.53  987.994  204.540   6.5400  196.723   16.610 7.817169 17.85090 
1 1 1    7   25   16 o   90.755   4.8068  1263.94  132.676  1288.57  139.021  1012.38  444.250   91.618   4.9902   78.324   18.818 13.29379 19.46820 
1 1 1    7   25   17 o  169.202   9.8322  4434.88  505.588  4709.38  735.868  4189.43  695.830  173.071   14.052  163.156   14.112 9.914993 19.91451 
1 1 1    7   25   18 o  273.474   6.0655 11466.07  506.295 12125.65  638.086 10345.06  831.867  280.905   7.4422  258.569   10.540 22.33643 12.90304 
1 1 1    7   25   19 o  243.333   11.848  9199.78  879.987   0.0000   0.0000  9199.78  879.987  ?   ?   243.333   11.848 0.000000 11.84837 
1 1 1    7   25   20 o   76.809   10.636  930.410  242.661   0.0000   0.0000  930.410  242.661  ?   ?    76.809   10.636 0.000000 10.63617 
1 1 1    7   25   21 o  313.334   14.308 15406.40  1368.35   0.0000   0.0000 15406.40  1368.35  ?   ?   313.334   14.308 0.000000 14.30783 
1 1 1    7   25   22 o  230.577   5.5519  8149.54  390.730  8713.97  463.138  6755.80  727.775  238.262   6.3685  208.134   11.501 30.12767 13.14626 
1 1 1    7   25   23 o  213.244   5.5883  6972.11  363.728  7104.72  430.719  6642.46  679.097  215.073   6.5613  206.563   10.809 8.510544 12.64434 
1 1 1    7   25   24 o  122.358   8.8968  2324.84  329.990  2585.44  483.464  2097.54  451.524  128.029   12.533  115.022   13.095 13.00656 18.12556 
1 1 1    7   25   25 o   72.988   4.5073  818.802   99.922  828.381  109.225  769.649  247.421   73.368   4.9058   69.237   12.151 4.131409 13.10413 
1 1 1    7   25   26 o   86.444   3.2573  1142.48   85.941  1022.14  129.997  1235.92  114.543   81.478   5.2554   89.856   4.1764 -8.378288 6.712774 
1 1 1    7   25   27 f   80.191   9.8845  1013.12  236.814  1148.77  371.534  920.307  307.336   83.906   15.061   75.256   13.892 8.649879 20.48934 
1 1 1    7   25   28 o   75.385   4.9421  875.082  113.084  839.729  121.888  1093.64  303.059   73.766   5.4522   82.592   12.405 -8.825989 13.55045 
1 1 1    7   25   29 o   90.599   7.1920  1273.83  197.243  1273.83  197.243   0.0000   0.0000   90.599   7.1920  ?   ?  0.000000 7.191998 
1 1 1    7   25   30 o  100.104   3.8452  1534.35  117.487  1574.36  124.869  1225.69  346.833  101.384   4.0352   86.963   13.505 14.42083 14.09486 
1 1 1    7   25   31 o   30.588   11.353  116.636  141.141  144.270  200.282   89.375  198.931   35.186   13.422   32.634   13.096 2.551567 18.75260 
1 1 1    7   25   32 o   91.808   6.0759  1304.21  169.297  1339.95  199.763  1213.10  318.938   92.833   7.1040   86.666   12.411 6.166954 14.30076 
1 1 1    7   25   33 o  134.690   10.798  2875.61  440.198  3508.50  979.154  2715.29  492.807  139.821   23.796  130.005   12.576 9.815598 26.91504 
1 1 1    7   25   34 o   65.226   11.313  691.385  217.059  357.729  835.410  715.540  224.779   61.060   25.876   66.310   11.524 -5.250423 28.32601 
1 1 1    7   25   35 o  132.425   12.519  2832.65  499.993   0.0000   0.0000  2832.65  499.993  ?   ?   132.425   12.519 0.000000 12.51869 
1 1 1    7   25   36 o  187.673   14.794  5808.29  840.540   0.0000   0.0000  5808.29  840.540  ?   ?   187.673   14.794 0.000000 14.79369 
1 1 1    7   25   37 o  116.645   5.8141  2102.20  206.995  2333.63  250.611  1605.38  367.193  122.468   6.7302   99.166   12.403 23.30162 14.11113 
1 1 1    7   26    0 o  152.526   14.294  3676.11  652.006  3676.11  652.006  3676.11  652.006  152.526   14.294  152.526   14.294 -0.000000 0.000000 
1 1 1    7   26    1 o  193.182   10.494  5784.30  616.453  6223.81  880.243  5361.26  863.587  199.012   14.593  184.289   15.497 14.72357 21.28626 
1 1 1    7   26    2 o  139.074   5.5583  2962.33  235.941  2962.33  235.941   0.0000   0.0000  139.074   5.5583  ?   ?  0.000000 5.558271 
1 1 1    7   26    3 o  249.372   7.6061  9554.33  578.935  9554.33  578.935   0.0000   0.0000  249.372   7.6061  ?   ?  0.000000 7.606143 
1 1 1    7   26    4 o  215.446   16.531  7348.67  1078.81  7348.67  1078.81   0.0000   0.0000  215.446   16.531  ?   ?  0.000000 16.53149 
1 1 1    7   26    5 o  246.403   17.821  9656.22  1331.20  9656.22  1331.20   0.0000   0.0000  246.403   17.821  ?   ?  0.000000 17.82055 
1 1 1    7   26    6 o  271.375   18.957 11767.76  1560.31 11767.76  1560.31   0.0000   0.0000  271.375   18.957  ?   ?  0.000000 18.95661 
1 1 1    7   26    7 o  114.937   15.901  2112.47  542.895  2112.47  542.895   0.0000   0.0000  114.937   15.901  ?   ?  0.000000 15.90117 
1 1 1    7   26    8 o  195.867   5.6620  5877.54  338.495  5999.48  371.279  5277.08  823.873  197.820   6.1491  182.955   14.883 14.86479 16.10294 
1 1 1    7   26    9 o  167.777   4.8674  4308.41  249.255  4560.65  272.938  3041.26  611.751  172.585   5.1813  138.630   14.681 33.95547 15.56863 
1 1 1    7   26   10 o  137.105   9.6572  2915.95  401.549  3198.46  620.799  2712.74  526.527  142.237   14.502  131.248   13.328 10.98865 19.69683 
1 1 1    7   26   11 o  271.436   10.396 11398.17  861.266 10193.03  1495.66 11996.05  1053.46  251.714   19.622  277.658   12.431 -25.94458 23.22839 
1 1 1    7   26   12 o  113.981   8.9479  2015.11  308.793  2487.34  522.286  1761.32  382.880  125.408   13.877  105.792   12.074 19.61593 18.39452 
1 1 1    7   26   13 o   95.382   4.8372  1396.25  140.364  1365.41  149.128  1635.76  415.571   94.278   5.2026  101.411   13.783 -7.132950 14.73220 
1 1 1    7   26   14 o  125.319   4.6060  2403.59  176.179  2507.06  189.381  1738.14  480.277  127.968   4.8486  103.990   15.614 23.97829 16.34938 
1 1 1    7   26   15 o  156.169   8.2637  3767.35  392.497  3719.01  658.415  3794.00  488.855  153.373   14.227  156.202   10.312 -2.829346 17.57072 
1 1 1    7   26   16 o  101.723   16.123  1672.72  483.897   0.0000   0.0000  1672.72  483.897  ?   ?   101.723   16.123 0.000000 16.12309 
1 1 1    7   26   17 o  140.326   9.7436  3060.92  414.741   0.0000   0.0000  3060.92  414.741  ?   ?   140.326   9.7436 0.000000 9.743647 
1 1 1    7   26   18 o   85.890   11.005  1164.00  281.871   0.0000   0.0000  1164.00  281.871  ?   ?    85.890   11.005 0.000000 11.00517 
1 1 1    7   26   19 o   51.327   11.161  425.179  169.872  764.206  320.567  292.807  200.309   68.171   15.727   43.319   13.602 24.85213 20.79281 
1 1 1    7   26   20 o   35.143   6.1469  195.095   63.534  205.329   66.728   95.794  207.851   36.050   6.2933   33.663   13.429 2.386944 14.83069 
1 1 1    7   26   21 o  130.891   4.3893  2623.13  175.357  2717.68  200.915  2320.81  359.272  133.171   4.9430  121.974   9.7313 11.19695 10.91471 
1 1 1    7   26   22 o  185.364   8.1687  5305.75  462.165  4961.85  801.720  5476.91  565.602  176.245   15.048  187.565   9.9149 -11.31941 18.02049 
1 1 1    7   26   23 o   47.231   5.5072  346.925   77.900  309.940   84.692  550.179  198.539   44.446   6.4299   58.361   11.555 -13.91468 13.22317 
1 1 1    7   26   24 o  220.233   5.6248  7448.01  378.099  7691.60  448.252  6847.30  703.916  223.554   6.5693  209.048   11.072 14.50685 12.87385 
1 1 1    7   26   25 o  100.715   6.8528  1570.10  209.404  1775.02  354.434  1460.22  259.546  105.958   11.125   96.637   8.8994 9.320793 14.24692 
1 1 1    7   26   26 o  134.626   5.1855  2782.36  213.078  2782.36  213.078   0.0000   0.0000  134.626   5.1855  ?   ?  0.000000 5.185546 
1 1 1    7   26   27 o  124.090   5.0569  2364.14  191.531  2364.14  191.531   0.0000   0.0000  124.090   5.0569  ?   ?  0.000000 5.056883 
1 1 1    7   26   28 o   40.028   15.493  183.150  269.570  183.150  269.570   0.0000   0.0000   40.028   15.493  ?   ?  0.000000 15.49333 
1 1 1    7   26   29 o  144.824   4.8461  3221.19  214.216  3253.88  232.972  3042.31  544.936  145.479   5.2467  137.480   13.147 7.998627 14.15499 
1 1 1    7   26   30 o   22.888   9.8747  -8.1307  125.680 -45.8315  160.233   52.149  202.611   24.427   10.825   31.203   12.949 -6.776291 16.87798 
1 1 1    7   26   31 o  126.952   5.8181  2485.29  225.444  2522.44  279.196  2415.68  382.170  127.352   7.2123  123.452   10.235 3.899353 12.52066 
1 1 1    7   26   32 o   58.111   8.7046  538.857  149.640  643.926  207.496  424.993  216.006   62.830   11.232   50.379   13.690 12.45094 17.70837 
1 1 1    7   26   33 o  108.249   10.152  1866.83  331.511   0.0000   0.0000  1866.83  331.511  ?   ?   108.249   10.152 0.000000 10.15222 
1 1 1    7   26   34 o   31.541   10.207  154.324  112.117   0.0000   0.0000  154.324  112.117  ?   ?    31.541   10.207 0.000000 10.20699 
1 1 1    7   27    0 o   38.298   21.766  303.630  395.602  303.630  395.602  303.630  395.602   38.298   21.766   38.298   21.766 0.000000 0.000000 
1 1 1    7   27    1 o  154.287   5.3241  3647.14  250.721  3641.28  270.138  3683.56  673.477  154.114   5.7428  152.468   14.652 1.646225 15.73763 
1 1 1    7   27    2 o   56.721   19.720  476.757  418.033  476.757  418.033   0.0000   0.0000   56.721   19.720  ?   ?  0.000000 19.72030 
1 1 1    7   27    3 o   68.396   19.851  771.534  438.808  771.534  438.808   0.0000   0.0000   68.396   19.851  ?   ?  0.000000 19.85149 
1 1 1    7   27    4 o  136.696   15.227  2976.90  624.521  2976.90  624.521   0.0000   0.0000  136.696   15.227  ?   ?  0.000000 15.22714 
1 1 1    7   27    5 o   74.442   12.415  885.766  272.159  1133.87  459.452  751.650  337.802   82.676   18.651   67.590   16.515 15.08566 24.91195 
1 1 1    7   27    6 o  176.365   5.4134  4766.84  291.408  4848.41  319.434  4362.22  711.438  177.800   5.8861  166.150   14.164 11.65092 15.33843 
1 1 1    7   27    7 o  195.521   5.3171  5857.96  317.312  6151.95  347.944  4405.41  773.415  200.308   5.6911  166.435   15.399 33.87291 16.41730 
1 1 1    7   27    8 o   58.521   19.702  527.786  416.481  527.786  416.481   0.0000   0.0000   58.521   19.702  ?   ?  0.000000 19.70202 
1 1 1    7   27    9 o  147.221   14.962  3449.14  662.972  3449.14  662.972   0.0000   0.0000  147.221   14.962  ?   ?  0.000000 14.96192 
1 1 1    7   27   10 o  186.379   15.620  5530.98  880.361  5530.98  880.361   0.0000   0.0000  186.379   15.620  ?   ?  0.000000 15.61959 
1 1 1    7   27   11 o   56.432   6.6368  495.898  112.130  501.665  114.328  350.202  574.625   56.746   6.7321   56.849   22.439 -0.1023560 23.42695 
1 1 1    7   27   12 o   86.694   5.2207  1156.06  137.500  1183.32  142.939  818.107  503.240   87.695   5.3660   70.223   21.480 17.47137 22.13976 
1 1 1    7   27   13 o  137.051   15.983  3019.58  656.019   0.0000   0.0000  3019.58  656.019  ?   ?   137.051   15.983 0.000000 15.98274 
1 1 1    7   27   14 f  130.027   18.136  2763.63  700.191   0.0000   0.0000  2763.63  700.191  ?   ?   130.027   18.136 0.000000 18.13643 
1 1 1    7   27   15 o   64.133   18.756  680.883  390.378   0.0000   0.0000  680.883  390.378  ?   ?    64.133   18.756 0.000000 18.75564 
1 1 1    7   27   16 o  135.467   4.5912  2811.04  189.837  2942.56  206.401  2088.87  483.659  138.567   4.8802  114.207   14.180 24.35917 14.99625 
1 1 1    7   27   17 o  123.946   9.3218  2394.48  350.072  2470.96  522.220  2332.06  471.768  124.337   14.004  121.146   12.960 3.190781 19.08067 
1 1 1    7   27   18 o   63.950   4.3211  629.156   83.848  734.945   92.529  143.369  198.280   69.130   4.4082   35.202   13.372 33.92764 14.07993 
1 1 1    7   27   19 o  127.626   4.4187  2495.39  172.128  2606.42  196.070  2122.20  359.453  130.373   4.9273  116.305   10.230 14.06850 11.35461 
1 1 1    7   27   20 o  119.757   7.7812  2225.08  282.880  1660.16  476.738  2532.06  351.432  100.599   16.067  127.415   9.0964 -26.81549 18.46320 
1 1 1    7   27   21 o  124.043   4.8555  2360.19  183.834  2320.89  193.871  2710.54  578.849  122.965   5.1655  129.451   14.924 -6.486221 15.79220 
1 1 1    7   27   24 o  106.849   4.8861  1752.99  159.350  1752.99  159.350   0.0000   0.0000  106.849   4.8861  ?   ?  0.000000 4.886139 
1 1 1    7   27   25 o   60.946   5.0002  574.465   92.194  574.465   92.194   0.0000   0.0000   60.946   5.0002  ?   ?  0.000000 5.000160 
1 1 1    7   27   26 o  109.559   6.3194  1858.84  210.424  1858.84  210.424   0.0000   0.0000  109.559   6.3194  ?   ?  0.000000 6.319446 
1 1 1    7   27   27 o  112.839   3.8953  1952.15  134.159  1948.77  142.023  1980.17  408.837  112.709   4.1284  110.794   12.297 1.915298 12.97175 
1 1 1    7   27   28 f  124.767   3.9480  2387.64  150.348  2386.36  159.091  2398.36  459.865  124.695   4.1800  121.750   12.555 2.945007 13.23263 
1 1 1    7   27   29 o  164.445   5.5874  4170.99  280.444  4428.94  320.280  3323.20  580.633  169.247   6.2000  142.676   13.493 26.57146 14.84963 
1 1 1    7   27   30 o   35.631   13.720  151.476  210.557 -373.0791  832.039  187.368  217.642   49.071   22.844   37.593   14.069 11.47874 26.82880 
1 1 1    7   27   31 o  103.438   9.6652  1703.71  301.608  2179.13  909.308  1644.94  319.707  102.844   28.148  101.250   10.498 1.594444 30.04160 
1 1 1    7   28    1 o  225.739   7.0863  7844.10  488.253  7844.10  488.253   0.0000   0.0000  225.739   7.0863  ?   ?  0.000000 7.086322 
1 1 1    7   28    2 o  220.181   16.723  7793.66  1115.44  7793.66  1115.44   0.0000   0.0000  220.181   16.723  ?   ?  0.000000 16.72270 
1 1 1    7   28    3 o   59.774   15.492  588.779  284.972  990.092  424.334  259.088  384.610   76.895   18.338   47.765   18.501 29.12993 26.04918 
1 1 1    7   28    4 o   72.326   13.988  851.077  297.630  739.720  437.040  947.391  406.449   66.682   19.934   75.288   17.942 -8.606499 26.81955 
1 1 1    7   28    5 o  189.883   5.8167  5535.40  337.117  5551.41  366.937  5448.69  853.721  190.055   6.3255  184.627   15.287 5.428223 16.54423 
1 1 1    7   28    6 o  137.506   5.0362  2898.63  211.370  2955.95  227.596  2539.06  570.027  138.816   5.3717  125.635   15.172 13.18095 16.09520 
1 1 1    7   28    7 o  222.838   11.693  7785.46  792.528  8561.83  1120.45  7008.12  1121.16  231.097   15.983  207.745   17.855 23.35191 23.96369 
1 1 1    7   28    8 o  127.577   10.085  2545.17  389.521  3081.32  568.807  2071.71  534.523  139.166   13.563  112.949   15.949 26.21689 20.93617 
1 1 1    7   28    9 o  104.010   10.736  1703.22  335.913  1826.12  495.395  1598.62  457.026  105.946   15.803   99.068   15.633 6.878296 22.22885 
1 1 1    7   28   10 o  177.606   10.568  4932.95  570.285   0.0000   0.0000  4932.95  570.285  ?   ?   177.606   10.568 0.000000 10.56774 
1 1 1    7   28   11 o  115.180   10.192  2080.84  354.610   0.0000   0.0000  2080.84  354.610  ?   ?   115.180   10.192 0.000000 10.19208 
1 1 1    7   28   12 o   45.263   15.451  307.491  256.176   0.0000   0.0000  307.491  256.176  ?   ?    45.263   15.451 0.000000 15.45088 
1 1 1    7   28   13 f  102.706   4.8825  1617.77  153.058  1626.75  166.962  1570.50  383.109  102.806   5.3393   98.976   12.996 3.829483 14.04978 
1 1 1    7   28   14 o  199.130   4.9209  6082.69  299.089  6540.98  328.768  3882.65  720.331  206.429   5.2180  154.968   15.434 51.46082 16.29255 
1 1 1    7   28   15 o  118.528   8.9547  2193.62  321.569  2373.44  485.165  2052.73  429.449  121.731   13.273  113.377   12.624 8.354004 18.31784 
1 1 1    7   28   16 o  193.584   10.115  5867.87  595.580  6767.90  860.921  5041.80  824.794  205.752   13.789  176.421   15.473 29.33102 20.72574 
1 1 1    7   28   17 f  122.999   5.2037  2323.74  195.359  2323.74  195.359   0.0000   0.0000  122.999   5.2037  ?   ?  0.000000 5.203717 
1 1 1    7   28   18 o  131.113   14.019  2777.98  552.318  2777.98  552.318   0.0000   0.0000  131.113   14.019  ?   ?  0.000000 14.01875 
1 1 1    7   28   19 o   76.583   16.692  991.590  379.155  991.590  379.155   0.0000   0.0000   76.583   16.692  ?   ?  0.000000 16.69191 
1 1 1    7   28   21 o   21.760   7.2729   69.289   56.749   69.289   56.749   0.0000   0.0000   21.760   7.2729  ?   ?  0.000000 7.272898 
1 1 1    7   28   22 o   44.455   15.227  305.093  248.809  305.093  248.809   0.0000   0.0000   44.455   15.227  ?   ?  0.000000 15.22684 
1 1 1    7   28   23 o   28.867   6.9887  134.217   60.918  134.217   60.918   0.0000   0.0000   28.867   6.9887  ?   ?  0.000000 6.988736 
1 1 1    7   28   24 o  103.467   4.6657  1645.55  147.346  1624.95  153.913  1871.68  509.865  102.778   4.9063  105.232   16.409 -2.454262 17.12717 
1 1 1    7   28   25 o   98.263   13.368  1587.69  390.538  1587.69  390.538   0.0000   0.0000   98.263   13.368  ?   ?  0.000000 13.36830 
1 1 1    7   28   26 o   57.545   18.239  572.732  359.403   0.0000   0.0000  572.732  359.403  ?   ?    57.545   18.239 0.000000 18.23858 
1 1 1    7   28   27 o  198.474   12.417  6385.07  748.402  6688.87  1292.46  6231.83  917.956  191.000   22.609  192.712   15.744 -1.711807 27.55037 
1 1 1    7   29    1 o  145.919   14.436  3429.14  634.516   0.0000   0.0000  3429.14  634.516  ?   ?   145.919   14.436 0.000000 14.43605 
1 1 1    7   29    2 o   98.199   15.832  1586.57  458.399   0.0000   0.0000  1586.57  458.399  ?   ?    98.199   15.832 0.000000 15.83231 
1 1 1    7   29    3 f  117.388   14.704  2234.46  515.276   0.0000   0.0000  2234.46  515.276  ?   ?   117.388   14.704 0.000000 14.70398 
1 1 1    7   29    4 o  165.192   10.266  4279.81  515.070  4286.47  738.117  4273.49  719.093  162.870   15.017  162.854   14.623 0.1660156E-01 20.96026 
1 1 1    7   29    5 o  140.918   4.9993  3048.01  215.028  3121.89  231.775  2591.46  576.150  142.560   5.3266  126.195   15.269 16.36566 16.17123 
1 1 1    7   29    6 o  178.180   14.928  5127.34  804.381   0.0000   0.0000  5127.34  804.381  ?   ?   178.180   14.928 0.000000 14.92815 
1 1 1    7   29    7 o  126.168   14.096  2570.54  533.565   0.0000   0.0000  2570.54  533.565  ?   ?   126.168   14.096 0.000000 14.09636 
1 1 1    7   29    8 o   38.591   16.113   77.853  316.474   0.0000   0.0000   77.853  316.474  ?   ?    38.591   16.113 0.000000 16.11317 
1 1 1    7   29    9 o  167.987   14.512  4558.80  736.750   0.0000   0.0000  4558.80  736.750  ?   ?   167.987   14.512 0.000000 14.51153 
1 1 1    7   29   10 o  113.360   10.162  2027.12  347.873  2270.64  511.976  1818.28  474.134  118.133   14.504  105.230   15.203 12.90362 21.01155 
1 1 1    7   29   11 o   41.557   15.086  240.514  247.043  384.361  375.776  131.019  327.851   51.176   18.601   40.708   16.638 10.46818 24.95652 
1 1 1    7   29   12 o   64.697   5.2122  647.495  102.052  679.244  111.373  481.292  254.819   66.213   5.5624   53.717   14.978 12.49530 15.97781 
1 1 1    7   29   13 o  117.219   4.2071  2107.17  150.523  2278.16  166.066  1319.79  356.353  121.845   4.4653   89.969   13.385 31.87583 14.10972 
1 1 1    7   29   14 o  102.327   9.0684  1647.18  280.296  1859.61  455.063  1517.32  355.802  106.521   14.363   96.978   12.297 9.543045 18.90752 
1 1 1    7   29   15 o   51.043   10.989  426.313  166.135  437.215  308.209  421.848  197.243   51.758   16.934   50.426   12.795 1.332245 21.22411 
1 1 1    7   29   16 o  104.575   4.2344  1678.06  135.158  1747.53  148.576  1344.76  325.448  106.670   4.5634   91.223   11.978 15.44765 12.81794 
1 1 1    7   29   17 o  116.223   8.7285  2122.01  307.373  2458.24  471.288  1873.13  405.479  123.257   12.710  107.505   12.596 15.75233 17.89397 
1 1 1    7   29   18 o  107.595   14.287  1910.36  457.579  1910.36  457.579   0.0000   0.0000  107.595   14.287  ?   ?  0.000000 14.28663 
1 1 1    7   29   19 o   86.796   5.0015  1163.24  131.939  1163.24  131.939   0.0000   0.0000   86.796   5.0015  ?   ?  0.000000 5.001503 
1 1 1    7   29   20 o   94.310   14.990  1491.84  417.064  1491.84  417.064   0.0000   0.0000   94.310   14.990  ?   ?  0.000000 14.99030 
1 1 1    7   29   21 o   71.328   10.873  825.904  229.231  1015.85  329.710  648.180  318.922   77.671   14.439   61.053   16.653 16.61821 22.04132 
1 1 1    7   29   22 o   34.643   6.2869  191.426   64.028  191.426   64.028   0.0000   0.0000   34.643   6.2869  ?   ?  0.000000 6.286914 
1 1 1    7   29   23 o  159.916   10.043  4072.41  487.692  3843.12  649.928  4367.90  737.802  152.273   14.145  161.486   15.146 -9.212708 20.72412 
1 1 1    7   30    0 o  132.783   5.3721  2712.76  216.912  2712.76  216.912  2712.76  216.912  132.783   5.3721  132.783   5.3721 0.000000 0.000000 
1 1 1    7   30    1 o   56.304   18.274  530.310  359.191   0.0000   0.0000  530.310  359.191  ?   ?    56.304   18.274 0.000000 18.27416 
1 1 1    7   30    2 o  122.386   14.421  2456.20  528.367   0.0000   0.0000  2456.20  528.367  ?   ?   122.386   14.421 0.000000 14.42137 
1 1 1    7   30    3 o  110.929   14.654  2027.68  484.018   0.0000   0.0000  2027.68  484.018  ?   ?   110.929   14.654 0.000000 14.65417 
1 1 1    7   30    4 o   68.046   17.751  802.576  372.539   0.0000   0.0000  802.576  372.539  ?   ?    68.046   17.751 0.000000 17.75105 
1 1 1    7   30    5 o   47.348   17.432  323.590  331.513   0.0000   0.0000  323.590  331.513  ?   ?    47.348   17.432 0.000000 17.43152 
1 1 1    7   30    6 o   84.671   11.657  1159.04  293.274  1186.97  438.672  1136.48  394.363   82.837   17.874   81.746   16.376 1.091843 24.24218 
1 1 1    7   30    7 f   35.690   14.235  123.452  233.482  179.595  354.361   80.381  310.379   43.002   17.401   37.987   15.917 5.014778 23.58251 
1 1 1    7   30    8 o  139.240   5.4590  2987.36  232.005  2987.36  232.005   0.0000   0.0000  139.240   5.4590  ?   ?  0.000000 5.459041 
1 1 1    7   30    9 o   55.776   14.574  526.240  250.847  685.495  372.852  394.548  339.055   62.710   18.327   50.189   17.738 12.52072 25.50490 
1 1 1    7   30   10 o  166.011   9.7757  4354.60  493.148  4718.45  724.753  4040.89  672.959  169.768   14.115  156.972   14.200 12.79553 20.02131 
1 1 1    7   30   11 o  104.086   4.5071  1664.92  143.188  1727.59  155.913  1327.32  361.864  105.974   4.8202   89.607   13.663 16.36662 14.48840 
1 1 1    7   30   12 o   60.842   5.2153  574.400   95.915  604.136  106.211  442.953  223.309   62.323   5.6447   51.269   13.915 11.05360 15.01589 
1 1 1    7   30   13 f   62.394   10.394  631.682  190.981  896.603  397.387  552.117  217.780   71.205   18.212   57.476   12.748 13.72842 22.23027 
1 1 1    7   30   14 o   46.942   17.500  320.441  336.131  320.441  336.131   0.0000   0.0000   46.942   17.500  ?   ?  0.000000 17.50030 
1 1 1    7   30   15 o   16.189   6.8521   3.4943   58.469  -0.7320   62.135   36.170  172.771   16.387   7.0039   28.379   11.882 -11.99228 13.79277 
1 1 1    7   30   16 o   23.762   10.391 -21.1322  143.140   32.332  267.034 -42.6879  169.557   33.979   14.521   25.138   11.139 8.840818 18.30128 
1 1 1    7   30   17 o  104.269   9.0563  1725.17  285.355  1844.01  431.503  1632.81  380.414  105.325   13.751   99.561   12.816 5.764015 18.79714 
1 1 1    7   30   18 o   30.348   7.7082  149.447   71.537  142.829   74.998  216.222  238.246   29.704   8.0648   39.486   14.731 -9.782537 16.79404 
1 1 1    7   31    1 o   45.103   17.476  268.748  343.239  268.748  343.239   0.0000   0.0000   45.103   17.476  ?   ?  0.000000 17.47574 
1 1 1    7   31    2 o   69.518   18.184  862.635  390.245  862.635  390.245   0.0000   0.0000   69.518   18.184  ?   ?  0.000000 18.18394 
1 1 1    7   31    3 o   42.719   17.207  197.081  344.795  197.081  344.795   0.0000   0.0000   42.719   17.207  ?   ?  0.000000 17.20706 
1 1 1    7   31    6 o   39.686   16.194  147.355  309.953   0.0000   0.0000  147.355  309.953  ?   ?    39.686   16.194 0.000000 16.19393 
1 1 1    7   31    7 o   57.842   17.666  588.568  340.561   0.0000   0.0000  588.568  340.561  ?   ?    57.842   17.666 0.000000 17.66613 
1 1 1    7   31    8 o   87.482   4.5782  1181.21  121.821  1205.96  133.054  1052.92  302.934   88.312   4.9562   79.553   12.919 8.758606 13.83725 
1 1 1    7   31    9 o   85.246   9.5025  1163.35  243.038  1501.51  409.577  979.579  301.941   94.183   14.730   76.391   13.441 17.79204 19.94073 
1 1 1    8    0    0 o   42.300   4.6531  282.857   58.221  282.857   58.221  282.857   58.221   42.300   4.6531   42.300   4.6531 0.000000 0.000000 
1 1 1    8    0    1 o  313.040   11.389 15026.74  1084.96 15026.74  1084.96 15026.74  1084.96  313.040   11.389  313.040   11.389 0.000000 0.000000 
1 1 1    8    0    2 o  314.868   6.3038 15152.18  605.278 15152.18  605.278 15152.18  605.278  314.868   6.3038  314.868   6.3038 0.000000 0.000000 
1 1 1    8    0    3 o   29.316   12.842  188.310  119.852  188.310  119.852  188.310  119.852   29.316   12.842   29.316   12.842 0.000000 0.000000 
1 1 1    8    0    4 o   49.928   4.0981  388.105   61.484  388.105   61.484  388.105   61.484   49.928   4.0981   49.928   4.0981 0.000000 0.000000 
1 1 1    8    0    5 o  137.120   6.6593  2890.45  277.209  2890.45  277.209  2890.45  277.209  137.120   6.6593  137.120   6.6593 0.000000 0.000000 
1 1 1    8    0    6 o  125.046   3.4108  2391.81  129.959  2391.81  129.959  2391.81  129.959  125.046   3.4108  125.046   3.4108 0.000000 0.000000 
1 1 1    8    0    7 o  486.868   11.782 36269.57  1748.48 36269.57  1748.48 36269.57  1748.48  486.868   11.782  486.868   11.782 0.000000 0.000000 
1 1 1    8    0    8 o  243.040   16.565  9154.39  1215.72  9154.39  1215.72  9154.39  1215.72  243.040   16.565  243.040   16.565 0.000000 0.000000 
1 1 1    8    0    9 o  410.728   25.413 26139.62  3157.90 26139.62  3157.90 26139.62  3157.90  410.728   25.413  410.728   25.413 0.000000 0.000000 
1 1 1    8    0   13 o  373.292   10.515 21331.19  1195.90 21331.19  1195.90 21331.19  1195.90  373.292   10.515  373.292   10.515 0.000000 0.000000 
1 1 1    8    0   14 o  162.025   4.0197  4014.20  198.514  4014.20  198.514  4014.20  198.514  162.025   4.0197  162.025   4.0197 0.000000 0.000000 
1 1 1    8    0   15 o   86.524   3.4394  1148.02   90.506  1148.02   90.506  1148.02   90.506   86.524   3.4394   86.524   3.4394 0.000000 0.000000 
1 1 1    8    0   16 o  540.144   13.478 44662.14  2218.84 44662.14  2218.84 44662.14  2218.84  540.144   13.478  540.144   13.478 0.000000 0.000000 
1 1 1    8    0   17 o  543.057   14.830 45174.50  2453.92 45174.50  2453.92 45174.50  2453.92  543.057   14.830  543.057   14.830 0.000000 0.000000 
1 1 1    8    0   18 o  700.833   29.981 75833.34  6386.62 75833.34  6386.62 75833.34  6386.62  700.833   29.981  700.833   29.981 0.000000 0.000000 
1 1 1    8    0   19 o  739.793   14.056 83730.91  3171.27 83730.91  3171.27 83730.91  3171.27  739.793   14.056  739.793   14.056 0.000000 0.000000 
1 1 1    8    0   20 o  249.669   9.0471  9556.01  687.378  9556.01  687.378  9556.01  687.378  249.669   9.0471  249.669   9.0471 0.000000 0.000000 
1 1 1    8    0   21 o  171.632   5.2493  4509.09  274.408  4509.09  274.408  4509.09  274.408  171.632   5.2493  171.632   5.2493 0.000000 0.000000 
1 1 1    8    0   22 o   30.994   8.2689  174.578   67.592  174.578   67.592  174.578   67.592   30.994   8.2689   30.994   8.2689 0.000000 0.000000 
1 1 1    8    0   23 o  365.068   16.590 20508.94  1839.84 20508.94  1839.84 20508.94  1839.84  365.068   16.590  365.068   16.590 0.000000 0.000000 
1 1 1    8    0   24 o   86.278   4.4667  1145.32  116.908  1145.32  116.908  1145.32  116.908   86.278   4.4667   86.278   4.4667 0.000000 0.000000 
1 1 1    8    0   25 o  249.918   8.4241  9570.35  640.945  9570.35  640.945  9570.35  640.945  249.918   8.4241  249.918   8.4241 0.000000 0.000000 
1 1 1    8    0   26 o   35.260   8.1613  217.672   76.421  217.672   76.421  217.672   76.421   35.260   8.1613   35.260   8.1613 0.000000 0.000000 
1 1 1    8    0   27 o  417.544   8.0578 26654.42  1026.06 26654.42  1026.06 26654.42  1026.06  417.544   8.0578  417.544   8.0578 0.000000 0.000000 
1 1 1    8    0   28 o  179.577   4.0649  4929.89  222.543  4929.89  222.543  4929.89  222.543  179.577   4.0649  179.577   4.0649 0.000000 0.000000 
1 1 1    8    0   29 o  149.154   3.2317  3400.40  146.969  3400.40  146.969  3400.40  146.969  149.154   3.2317  149.154   3.2317 0.000000 0.000000 
1 1 1    8    0   30 o  101.183   4.5755  1572.52  140.650  1572.52  140.650  1572.52  140.650  101.183   4.5755  101.183   4.5755 0.000000 0.000000 
1 1 1    8    0   31 o   18.195   10.966   49.105  110.799   49.105  110.799   49.105  110.799   18.195   10.966   18.195   10.966 0.000000 0.000000 
1 1 1    8    0   32 o  399.586   7.4926 24420.87  913.088 24420.87  913.088 24420.87  913.088  399.586   7.4926  399.586   7.4926 0.000000 0.000000 
1 1 1    8    0   33 o  273.583   4.7460 11438.78  396.043 11438.78  396.043 11438.78  396.043  273.583   4.7460  273.583   4.7460 0.000000 0.000000 
1 1 1    8    0   34 o  252.463   5.4452  9747.75  419.156  9747.75  419.156  9747.75  419.156  252.463   5.4452  252.463   5.4452 0.000000 0.000000 
1 1 1    8    0   35 o   92.450   2.9440  1308.63   82.884  1308.63   82.884  1308.63   82.884   92.450   2.9440   92.450   2.9440 0.000000 0.000000 
1 1 1    8    0   36 o  105.146   2.6520  1690.79   84.988  1690.79   84.988  1690.79   84.988  105.146   2.6520  105.146   2.6520 0.000000 0.000000 
1 1 1    8    0   37 o  124.130   2.6084  2355.07   98.728  2355.07   98.728  2355.07   98.728  124.130   2.6084  124.130   2.6084 0.000000 0.000000 
1 1 1    8    0   38 o   10.953   6.4025   21.539   35.690   21.539   35.690   21.539   35.690   10.953   6.4025   10.953   6.4025 0.000000 0.000000 
1 1 1    8    0   39 o  355.523   6.2436 19331.73  677.049 19331.73  677.049 19331.73  677.049  355.523   6.2436  355.523   6.2436 0.000000 0.000000 
1 1 1    8    0   40 o  110.274   3.8324  1863.43  128.639  1863.43  128.639  1863.43  128.639  110.274   3.8324  110.274   3.8324 0.000000 0.000000 
1 1 1    8    0   41 o  297.670   8.1625 13584.50  740.345 13584.50  740.345 13584.50  740.345  297.670   8.1625  297.670   8.1625 0.000000 0.000000 
1 1 1    8    0   42 o  267.212   8.0926 10952.36  658.659 10952.36  658.659 10952.36  658.659  267.212   8.0926  267.212   8.0926 0.000000 0.000000 
1 1 1    8    0   43 o  321.616   6.8516 15834.26  671.899 15834.26  671.899 15834.26  671.899  321.616   6.8516  321.616   6.8516 0.000000 0.000000 
1 1 1    8    0   44 o   54.898   3.4435  465.542   57.179  465.542   57.179  465.542   57.179   54.898   3.4435   54.898   3.4435 0.000000 0.000000 
1 1 1    8    0   45 o  113.153   3.5216  1960.56  121.358  1960.56  121.358  1960.56  121.358  113.153   3.5216  113.153   3.5216 0.000000 0.000000 
1 1 1    8    0   46 f   19.920   12.166   52.164  140.271   52.164  140.271   52.164  140.271   19.920   12.166   19.920   12.166 0.000000 0.000000 
1 1 1    8    0   47 o   79.177   2.8391  960.717   68.411  960.717   68.411  960.717   68.411   79.177   2.8391   79.177   2.8391 0.000000 0.000000 
1 1 1    8    0   48 o   13.776   8.3947   25.339   66.452   25.339   66.452   25.339   66.452   13.776   8.3947   13.776   8.3947 0.000000 0.000000 
1 1 1    8    0   49 o   43.612   4.5468  299.883   59.019  299.883   59.019  299.883   59.019   43.612   4.5468   43.612   4.5468 0.000000 0.000000 
1 1 1    8    0   50 o  186.051   5.2962  5302.54  300.203  5302.54  300.203  5302.54  300.203  186.051   5.2962  186.051   5.2962 0.000000 0.000000 
1 1 1    8    0   51 o  142.967   3.1610  3125.49  137.783  3125.49  137.783  3125.49  137.783  142.967   3.1610  142.967   3.1610 0.000000 0.000000 
1 1 1    8    0   52 o  134.540   3.5480  2770.13  145.467  2770.13  145.467  2770.13  145.467  134.540   3.5480  134.540   3.5480 0.000000 0.000000 
1 1 1    8    0   53 o   61.484   5.8412  593.560  107.345  593.560  107.345  593.560  107.345   61.484   5.8412   61.484   5.8412 0.000000 0.000000 
1 1 1    8    0   54 o  322.299   8.6009 15967.41  844.736 15967.41  844.736 15967.41  844.736  322.299   8.6009  322.299   8.6009 0.000000 0.000000 
1 1 1    8    0   55 o  260.404   5.1401 10381.93  408.186 10381.93  408.186 10381.93  408.186  260.404   5.1401  260.404   5.1401 0.000000 0.000000 
1 1 1    8    0   56 o   27.456   11.127  161.338   91.280  161.338   91.280  161.338   91.280   27.456   11.127   27.456   11.127 0.000000 0.000000 
1 1 1    8    0   57 o  269.064   7.5311 11137.82  617.389 11137.82  617.389 11137.82  617.389  269.064   7.5311  269.064   7.5311 0.000000 0.000000 
1 1 1    8    0   58 o   17.134   9.6767   59.986   77.537   59.986   77.537   59.986   77.537   17.134   9.6767   17.134   9.6767 0.000000 0.000000 
1 1 1    8    0   59 o   65.005   11.571  712.336  207.900  712.336  207.900  712.336  207.900   65.005   11.571   65.005   11.571 0.000000 0.000000 
1 1 1    8    0   60 o  166.604   5.2143  4265.37  264.566  4265.37  264.566  4265.37  264.566  166.604   5.2143  166.604   5.2143 0.000000 0.000000 
1 1 1    8    1    0 o  595.765   11.424 54272.21  2075.56 54272.21  2075.56 54272.21  2075.56  595.765   11.424  595.765   11.424 0.000000 0.000000 
1 1 1    8    1    1 o  672.013   17.551 69179.27  3600.03 69593.40  5692.19 68903.20  4647.60  672.132   27.746  669.819   22.733 2.313110 35.86990 
1 1 1    8    1    2 o  374.616   6.2488 21427.27  714.499 21103.08  1094.67 21667.91  943.097  371.649   9.6501  376.649   8.2036 -5.000061 12.66583 
1 1 1    8    1    3 o  487.049   10.807 36253.31  1606.54 38216.67  3157.76 35567.65  1866.10  499.117   20.728  482.293   12.677 16.82458 24.29721 
1 1 1    8    1    4 o  394.130   8.2745 23725.97  995.404 23826.62  1133.17 23385.92  2082.94  394.918   9.4010  390.740   17.465 4.177826 19.83449 
1 1 1    8    1    5 o  710.797   10.208 77200.13  2214.75 76115.34  2755.32 79180.62  3722.96  705.535   12.795  719.071   16.963 -13.53522 21.24730 
1 1 1    8    1    6 o  394.854   8.3652 23813.35  1008.16 23211.81  1620.24 24193.38  1287.82  389.568   13.626  397.892   10.604 -8.324188 17.26628 
1 1 1    8    1    7 o  100.022   3.0540  1526.94   93.235  1436.97  122.916  1648.84  143.076   97.026   4.1506  103.931   4.5103 -6.905228 6.129439 
1 1 1    8    1    8 o  160.437   5.4003  3929.55  264.448  4615.76  640.182  3788.36  290.380  173.336   12.178  157.521   6.0396 15.81482 13.59307 
1 1 1    8    1    9 o  187.063   9.1957  5345.50  525.033  4627.71  731.336  6108.91  754.211  173.384   13.937  199.507   12.448 -26.12283 18.68670 
1 1 1    8    1   10 o  775.356   19.719 92163.44  4666.65 89922.21  5137.51 102736.20 11158.48  765.449   21.990  809.635   45.337 -44.18579 50.38796 
1 1 1    8    1   11 o  317.929   9.1142 15440.86  884.439 15440.86  884.439   0.0000   0.0000  317.929   9.1142  ?   ?  0.000000 9.114230 
1 1 1    8    1   12 o  267.246   5.5884 10903.63  455.841 10791.39  643.979 11016.35  645.337  265.817   7.9373  268.575   7.8723 -2.757965 11.17917 
1 1 1    8    1   13 o  123.096   3.5704  2312.80  134.145  2267.33  187.333  2360.66  192.179  121.870   5.0362  124.353   5.0633 -2.482826 7.141419 
1 1 1    8    1   14 o  168.582   5.8575  4339.04  301.397   0.0000   0.0000  4339.04  301.397  ?   ?   168.582   5.8575 0.000000 5.857462 
1 1 1    8    1   15 o  521.987   7.0999 41608.18  1131.17 41182.43  1599.74 42033.91  1599.70  519.142   10.096  524.489   9.9928 -5.346130 14.20505 
1 1 1    8    1   16 o  817.791   19.035 102534.40  4751.30 112182.00 12315.77 100847.40  5149.98  843.829   48.016  810.671   20.813 33.15778 52.33324 
1 1 1    8    1   17 o  444.760   8.5533 30217.08  1161.12 30806.41  1726.50 29730.41  1568.92  448.827   12.603  440.985   11.656 7.842255 17.16691 
1 1 1    8    1   18 o  463.232   8.6717 32780.72  1226.09 34592.91  1823.33 31284.90  1656.54  475.604   12.560  452.334   11.998 23.27011 17.37028 
1 1 1    8    1   19 o  103.088   3.1545  1622.05   99.256  1621.45  106.746  1625.86  269.728  103.068   3.3932  102.798   8.6776 0.2697601 9.317447 
1 1 1    8    1   20 o  335.165   4.7298 17148.99  483.859 16914.78  684.117 17383.44  684.443  332.815   6.7346  337.397   6.6463 -4.581909 9.461916 
1 1 1    8    1   21 o  227.163   4.7720  7877.79  330.868  7924.07  493.038  7839.87  446.284  227.785   7.0915  226.585   6.4530 1.199509 9.588045 
1 1 1    8    1   22 o  741.304   18.155 84269.41  4107.77 84640.87  9828.74 84190.80  4521.59  733.136   44.129  740.578   20.003 -7.442078 48.45110 
1 1 1    8    1   23 o  218.866   4.6231  7312.80  308.835  7256.62  456.318  7360.28  419.517  217.981   6.8585  219.546   6.2605 -1.564316 9.286180 
1 1 1    8    1   24 o  352.385   5.7119 18960.37  614.351 19054.82  764.072 18787.64  1033.28  353.212   7.0873  350.608   9.6556 2.604492 11.97749 
1 1 1    8    1   25 o  307.332   4.8410 14420.31  454.111 14126.96  1129.15 14476.91  495.991  303.872   12.174  307.923   5.2773 -4.051636 13.26885 
1 1 1    8    1   26 f  315.553   4.3797 15201.38  421.823 15063.89  665.706 15293.61  545.258  314.040   6.9451  316.473   5.6448 -2.432495 8.949786 
1 1 1    8    1   27 o  219.105   2.8282  7327.59  189.135  7138.42  267.272  7517.35  267.684  216.240   4.0495  221.907   3.9522 -5.666931 5.658429 
1 1 1    8    1   28 o  178.100   2.7989  4841.62  152.149  5013.31  228.425  4704.70  203.985  181.211   4.1299  175.550   3.8070 5.661026 5.616862 
1 1 1    8    1   29 o   76.607   2.5592  895.777   59.841  934.388   68.471  770.914  123.130   78.239   2.8672   70.811   5.7466 7.428421 6.422182 
1 1 1    8    1   30 o  355.756   8.7307 19358.97  948.024 18904.68  1099.81 20672.52  1870.14  351.405   10.254  366.514   16.717 -15.10977 19.61155 
1 1 1    8    1   31 o  200.330   4.4828  6128.88  274.101  6141.40  372.711  6114.13  404.515  200.476   6.0911  200.007   6.6263 0.4690094 9.000504 
1 1 1    8    1   32 o  258.701   3.7208 10219.26  293.802 10145.36  460.728 10269.90  381.417  257.661   5.8584  259.294   4.8194 -1.632935 7.585986 
1 1 1    8    1   33 o  342.449   5.3502 17919.21  559.218 18478.97  920.781 17592.07  703.907  347.405   8.6837  339.180   6.7994 8.225250 11.02894 
1 1 1    8    1   34 f   90.765   3.2963  1257.91   91.320  1268.34  134.927  1249.09  124.050   90.983   4.8765   90.427   4.4945 0.5566177 6.631775 
1 1 1    8    1   35 o  226.315   3.5570  7821.42  245.706  7914.81  314.176  7674.35  394.268  227.618   4.5222  224.062   5.7651 3.555573 7.327102 
1 1 1    8    1   36 o  226.205   3.1847  7813.12  219.883  8238.95  311.200  7388.60  310.724  232.232   4.3904  219.909   4.6293 12.32327 6.380105 
1 1 1    8    1   37 o  469.493   5.4828 33695.30  785.685 34584.88  1198.44 33024.77  1040.48  475.147   8.2637  464.491   7.3390 10.65509 11.05213 
1 1 1    8    1   38 o  131.093   2.9183  2623.98  116.770  2558.50  186.975  2665.84  149.512  129.394   4.7342  132.114   3.7077 -2.719849 6.013349 
1 1 1    8    1   39 o  411.906   6.3990 25958.15  804.502 25612.78  1313.41 26165.54  1017.78  408.281   10.540  413.243   8.0692 -4.961487 13.27385 
1 1 1    8    1   40 o  286.589   4.1102 12548.04  359.533 12337.62  674.855 12631.43  424.844  283.778   7.7914  287.479   4.8418 -3.701477 9.173261 
1 1 1    8    1   41 o  275.557   4.4358 11603.17  373.076 11785.50  629.950 11504.67  463.007  277.385   7.4406  274.285   5.5306 3.099548 9.270871 
1 1 1    8    1   42 o  214.524   5.7983  7039.35  379.660  6725.18  719.882  7160.40  446.858  208.709   11.343  216.271   6.7695 -7.562347 13.20965 
1 1 1    8    1   43 o   52.785   3.9543  428.068   63.247  404.120   71.809  510.914  133.559   51.211   4.6446   57.210   7.8560 -5.999046 9.126234 
1 1 1    8    1   44 o  194.551   3.0561  5780.11  181.477  5830.99  251.627  5724.96  261.981  195.347   4.2202  193.550   4.4346 1.796783 6.121778 
1 1 1    8    1   45 o   94.967   2.2833  1376.88   66.183  1441.74   84.951  1276.72  105.568   97.168   2.8644   91.419   3.7834 5.749374 4.745369 
1 1 1    8    1   46 o  156.862   6.0574  3765.12  290.015  4118.00  462.266  3536.08  372.427  163.492   9.3020  151.647   8.0753 11.84581 12.31818 
1 1 1    8    1   47 o  113.824   3.3957  1978.95  117.971  2066.74  174.443  1904.95  160.146  116.266   4.9157  111.631   4.7002 4.634575 6.801147 
1 1 1    8    1   48 o  437.756   5.3302 29311.21  712.186 29554.09  1115.20 29143.94  925.491  438.853   8.3256  436.160   6.9520 2.693054 10.84646 
1 1 1    8    1   49 o   87.257   2.5018  1162.58   66.631  1220.43  105.471  1124.15   85.955   89.369   3.8666   85.787   3.2827 3.582596 5.072159 
1 1 1    8    1   50 o  101.364   2.2079  1568.72   68.310  1591.47   97.791  1547.03   95.461  102.073   3.1388  100.639   3.1077 1.434280 4.417044 
1 1 1    8    1   51 o  160.222   2.5158  3920.11  123.032  4013.94  188.152  3850.03  162.616  162.063   3.8037  158.745   3.3562 3.318390 5.072706 
1 1 1    8    1   52 o  259.919   3.6451 10324.77  289.178 10886.34  418.757  9812.86  399.819  266.707   5.1441  253.212   5.1732 13.49498 7.295501 
1 1 1    8    1   53 o  163.885   6.6974  4120.47  335.011  4319.79  573.142  4017.03  412.889  166.621   11.337  161.357   8.4127 5.264587 14.11757 
1 1 1    8    1   54 o   62.613   3.5506  601.200   67.577  618.782   88.943  577.193  103.934   63.420   4.6267   61.116   5.6351 2.303879 7.291195 
1 1 1    8    1   55 o  178.685   3.4223  4881.02  186.650  4691.67  233.773  5213.99  310.003  175.090   4.3744  184.428   5.5071 -9.338165 7.032993 
1 1 1    8    1   56 o  167.437   3.3610  4286.52  171.766  4444.09  214.209  4002.75  287.472  170.406   4.1185  161.495   5.8320 8.911179 7.139635 
1 1 1    8    1   57 o  274.522   5.0078 11556.46  419.608 11575.09  456.861 11456.03  1060.91  274.621   5.4505  269.720   12.887 4.901520 13.99209 
1 1 1    8    1   58 o  128.892   2.8760  2539.97  113.145  2579.06  185.210  2516.70  142.913  129.687   4.6790  128.229   3.6515 1.457504 5.935166 
1 1 1    8    1   59 o  276.439   3.8730 11705.82  326.785 11001.82  471.633 12355.88  453.206  267.390   5.7789  283.576   5.2361 -16.18616 7.798211 
1 1 1    8    1   60 o   92.916   3.2659  1321.44   92.620  1222.30  120.875  1462.42  144.145   89.251   4.4372   97.575   4.8400 -8.323662 6.566133 
1 1 1    8    2    0 o  410.008   10.656 25725.30  1331.45 25725.30  1331.45 25725.30  1331.45  410.008   10.656  410.008   10.656 0.000000 0.000000 
1 1 1    8    2    1 o  346.674   7.6811 18354.33  812.763 18175.19  943.364 18870.30  1601.01  344.933   8.9604  351.164   14.937 -6.231201 17.41851 
1 1 1    8    2    2 o  348.979   9.6423 18606.79  1027.06 18771.86  1326.18 18359.43  1623.47  350.395   12.400  346.353   15.357 4.041565 19.73835 
1 1 1    8    2    3 o  334.921   9.2413 17136.27  944.699 17027.29  1493.70 17208.92  1219.60  333.595   14.670  335.517   11.909 -1.921844 18.89545 
1 1 1    8    2    4 o  284.296   5.2002 12338.65  451.236 12197.04  491.726 13093.89  1135.54  282.650   5.6998  292.633   12.713 -9.982208 13.93263 
1 1 1    8    2    5 o  370.366   9.1955 20954.84  1039.50 20954.84  1039.50   0.0000   0.0000  370.366   9.1955  ?   ?  0.000000 9.195525 
1 1 1    8    2    6 o  562.994   9.7184 48425.98  1670.00 46856.99  2179.14 50658.77  2599.56  553.564   12.897  575.405   14.802 -21.84045 19.63238 
1 1 1    8    2    7 o  612.812   10.769 57389.43  2014.36 56136.97  2721.33 58907.37  2995.90  605.732   14.719  620.376   15.822 -14.64453 21.60981 
1 1 1    8    2    8 f  399.783   16.951 24473.21  2068.40 23768.82  2920.44 25182.17  2929.89  392.527   24.498  404.180   23.856 -11.65295 34.19438 
1 1 1    8    2    9 o  1021.55   23.549 160293.59  7342.52 148513.30 17540.98 162796.30  8084.93  964.863   59.858  1028.85   25.746 -63.98956 65.15968 
1 1 1    8    2   10 o  184.632   3.3593  5203.07  189.308  5335.52  228.469  4912.94  338.144  186.962   4.0036  179.383   6.1760 7.579666 7.360134 
1 1 1    8    2   11 o  333.731   7.1109 17007.44  724.338 17515.06  1237.19 16742.69  893.478  338.490   11.975  331.069   8.8419 7.420258 14.88556 
1 1 1    8    2   12 o  609.056   9.1977 56668.25  1709.84 56003.74  2783.60 57070.90  2166.80  604.960   15.075  611.032   11.618 -6.072205 19.03271 
1 1 1    8    2   13 o  581.048   15.769 51679.56  2796.54   0.0000   0.0000 51679.56  2796.54  ?   ?   581.048   15.769 0.000000 15.76855 
1 1 1    8    2   14 o  230.828   7.0747  8136.42  498.445  9163.12  1182.67  7914.66  549.645  244.134   15.959  227.643   7.9106 16.49110 17.81227 
1 1 1    8    2   15 o  444.048   8.1540 30116.87  1105.15 30344.99  1562.43 29888.47  1563.39  445.543   11.489  442.173   11.584 3.370209 16.31545 
1 1 1    8    2   16 o  550.943   9.9853 46382.66  1679.13 45863.45  5415.62 46437.88  1766.17  543.511   32.799  551.234   10.497 -7.722107 34.43796 
1 1 1    8    2   17 o  158.863   7.0801  3854.04  343.302  3762.77  401.978  4100.00  659.914  156.722   8.4344  163.174   13.367 -6.451553 15.80595 
1 1 1    8    2   18 o  401.573   7.3497 24628.13  900.844 24362.82  990.807 25893.28  2163.65  399.372   8.1282  411.090   17.244 -11.71729 19.06345 
1 1 1    8    2   19 o  357.263   5.6103 19487.20  611.778 19173.19  774.834 20006.99  996.910  354.324   7.1646  361.872   9.0258 -7.547729 11.52369 
1 1 1    8    2   20 o  656.213   13.875 65894.34  2779.14 71546.91  5467.79 63925.36  3227.07  681.407   26.290  645.994   16.367 35.41272 30.96817 
1 1 1    8    2   21 o  247.449   5.3258  9348.35  402.245  9054.76  570.153  9639.30  567.576  243.479   7.6721  251.222   7.4020 -7.743500 10.66069 
1 1 1    8    2   22 o  435.934   6.8418 29022.02  910.344 29104.93  1114.55 28855.85  1577.88  436.481   8.3659  434.380   11.901 2.101227 14.54733 
1 1 1    8    2   23 o  483.445   7.0683 35695.55  1042.98 35963.26  1405.37 35367.33  1556.12  485.106   9.4915  480.988   10.600 4.117828 14.22822 
1 1 1    8    2   24 o  243.368   3.8711  9041.05  287.550  9140.22  475.200  8983.76  361.181  244.649   6.3638  242.579   4.8782 2.070435 8.018362 
1 1 1    8    2   25 o  373.473   6.2114 21300.63  708.049 22045.67  1562.52 21108.11  794.279  379.483   13.490  371.748   7.0002 7.734772 15.19818 
1 1 1    8    2   26 o  496.685   9.4509 37710.84  1432.75 36638.80  1808.78 39516.29  2347.31  489.315   12.111  507.779   15.145 -18.46420 19.39219 
1 1 1    8    2   27 o  153.691   2.8838  3605.46  135.280  3716.27  182.031  3468.76  202.182  156.025   3.8224  150.733   4.3946 5.292572 5.824337 
1 1 1    8    2   28 o  120.577   2.5204  2219.11   92.758  2265.88  125.562  2162.93  137.626  121.834   3.3765  119.030   3.7882 2.803978 5.074566 
1 1 1    8    2   29 o  322.466   5.1779 15880.54  509.630 15921.98  540.941 15553.41  1520.01  322.872   5.4891  318.202   15.650 4.670197 16.58511 
1 1 1    8    2   30 o  409.642   7.8107 25657.52  976.591 27118.19  1328.47 23940.02  1440.54  420.843   10.342  395.197   11.942 25.64590 15.79826 
1 1 1    8    2   31 o  289.099   4.9613 12766.12  437.788 13407.83  714.330 12380.10  554.030  296.078   7.9045  284.614   6.3776 11.46405 10.15656 
1 1 1    8    2   32 o  405.284   5.5138 25097.74  682.065 25249.42  882.478 24872.71  1074.91  406.343   7.1153  403.094   8.7367 3.249268 11.26758 
1 1 1    8    2   33 o  221.962   3.0806  7521.90  208.702  7282.17  276.328  7840.24  318.428  218.360   4.1461  226.552   4.6050 -8.192551 6.196404 
1 1 1    8    2   34 o  488.857   9.7979 36637.44  1461.95 36014.70  1804.51 37826.87  2493.90  484.077   12.213  494.666   16.518 -10.58957 20.54256 
1 1 1    8    2   35 o  103.072   3.1722  1622.13   99.797  1539.81  148.718  1689.56  134.603  100.388   4.8536  105.173   4.1931 -4.784370 6.414019 
1 1 1    8    2   36 o  442.786   5.6352 29971.39  761.585 30539.94  1313.00 29683.13  934.928  446.242   9.6400  440.457   6.9544 5.784973 11.88667 
1 1 1    8    2   37 o  442.927   5.3963 29988.77  729.534 30249.80  961.332 29634.31  1120.23  444.588   7.0843  439.803   8.3451 4.785309 10.94665 
1 1 1    8    2   38 o  367.133   5.6046 20608.12  628.040 21482.23  1059.21 20134.19  779.927  374.238   9.2730  362.693   7.0453 11.54523 11.64576 
1 1 1    8    2   39 o  304.759   4.3584 14190.96  405.416 14819.67  575.693 13572.40  571.024  311.267   6.0596  297.855   6.2811 13.41159 8.727534 
1 1 1    8    2   40 o   36.788   4.1891  209.442   46.198  193.243   87.279  215.747   54.452   34.814   8.3260   37.250   4.9089 -2.436241 9.665401 
1 1 1    8    2   41 o  476.284   5.4543 34688.14  792.908 35700.00  1209.64 33925.84  1049.93  482.575   8.2125  470.650   7.3087 11.92438 10.99377 
1 1 1    8    2   42 o  318.177   7.3279 15506.70  711.650 16864.48  1418.00 15049.58  822.770  330.194   14.070  313.235   8.6058 16.95926 16.49306 
1 1 1    8    2   43 o  451.846   8.4827 31313.72  1169.88 31427.19  1579.51 31175.82  1741.21  451.738   11.456  449.466   12.692 2.272400 17.09749 
1 1 1    8    2   44 o  176.789   3.4489  4773.77  186.103  4913.53  294.568  4680.92  240.088  179.251   5.3840  175.011   4.4946 4.240524 7.013478 
1 1 1    8    2   45 o  401.669   6.1509 24688.34  754.096 25189.56  937.472 23769.46  1269.32  405.445   7.5755  393.091   10.579 12.35349 13.01193 
1 1 1    8    2   46 o  261.581   5.8674 10468.70  468.456 11470.13  855.295 10039.54  559.907  273.101   10.261  256.005   7.1656 17.09564 12.51507 
1 1 1    8    2   47 o   78.285   3.0429  935.938   72.709  1001.64  131.809  907.200   87.171   80.747   5.3789   77.060   3.7061 3.687164 6.532046 
1 1 1    8    2   48 o  281.898   3.9924 12142.98  343.511 12193.53  648.094 12123.24  405.095  282.023   7.5290  281.597   4.7132 0.4257813 8.882529 
1 1 1    8    2   49 f  234.740   2.8314  8415.09  202.861  8655.75  284.523  8166.26  289.315  237.999   3.9168  231.157   4.1006 6.841843 5.670619 
1 1 1    8    2   50 o   96.176   3.3812  1413.11   99.254  1379.62  228.158  1420.93  110.231   94.472   7.9874   96.430   3.7452 -1.958298 8.821815 
1 1 1    8    2   51 o  237.176   3.5534  8595.53  257.238  9086.10  365.050  8111.68  362.543  243.712   4.9075  230.245   5.1589 13.46745 7.120185 
1 1 1    8    2   52 o  160.879   2.4588  3952.47  120.737  4041.27  175.124  3872.03  166.684  162.620   3.5282  159.184   3.4307 3.435715 4.921152 
1 1 1    8    2   53 o  204.197   4.2997  6377.35  267.982  6415.45  392.914  6344.22  366.438  204.550   6.2933  203.469   5.9004 1.081039 8.626787 
1 1 1    8    2   54 o  129.269   2.8296  2552.91  111.644  2533.13  221.048  2559.69  129.355  128.566   5.6330  129.417   3.2747 -0.8510895 6.515748 
1 1 1    8    2   55 o  163.765   3.3158  4099.58  165.738  4237.60  202.917  3822.98  287.263  166.438   3.9944  157.857   5.9621 8.581329 7.176482 
1 1 1    8    2   56 o  211.090   3.3313  6813.00  214.632  6885.16  247.843  6596.58  429.230  212.141   3.8277  207.098   6.7904 5.042862 7.794917 
1 1 1    8    2   57 o  133.613   2.6499  2728.20  108.067  2738.48  153.879  2718.19  151.803  133.771   3.7688  133.278   3.7317 0.4928589 5.303701 
1 1 1    8    2   58 o   81.267   4.2659  1014.73  105.443  996.366  120.571  1074.44  217.417   80.434   4.9350   82.770   8.7382 -2.335899 10.03544 
1 1 1    8    2   59 o   67.261   3.2187  692.214   66.078  665.521  106.342  709.001   84.334   65.587   5.3590   67.896   4.0886 -2.309227 6.740605 
1 1 1    8    2   60 o  368.844   7.6844 21105.65  865.104 19953.51  1718.18 21496.92  1001.28  349.095   16.125  371.275   8.8358 -22.17966 18.38743 
1 1 1    8    3    0 o  863.582   29.142 114800.90  7661.46 114800.90  7661.46 114800.90  7661.46  863.582   29.142  863.582   29.142 0.000000 0.000000 
1 1 1    8    3    1 o  703.364   10.376 75597.01  2227.63 78650.11  3559.63 73631.62  2856.00  716.757   16.271  693.854   13.486 22.90247 21.13318 
1 1 1    8    3    2 o  461.016   12.208 32493.03  1717.76 32401.03  2218.53 32630.75  2714.37  460.088   15.798  461.382   19.275 -1.294067 24.92190 
1 1 1    8    3    3 o  172.270   4.6551  4530.21  244.766  4439.88  492.133  4559.89  282.137  170.209   9.5109  172.826   5.3485 -2.616989 10.91166 
1 1 1    8    3    4 o  469.324   20.822 33787.28  2982.76 33787.28  2982.76   0.0000   0.0000  469.324   20.822  ?   ?  0.000000 20.82225 
1 1 1    8    3    5 o  1283.96   52.101 259612.30 20417.91 259612.30 20417.91   0.0000   0.0000  1283.96   52.101  ?   ?  0.000000 52.10074 
1 1 1    8    3    6 o  269.048   9.7529 11059.38  800.908 10667.42  979.338 11850.91  1391.69  264.156   12.147  277.737   16.491 -13.58115 20.48136 
1 1 1    8    3    7 o  149.020   4.4965  3389.84  204.522  3595.84  381.036  3306.48  242.400  153.221   8.1771  147.169   5.3963 6.052856 9.797256 
1 1 1    8    3    8 o  205.827   5.5144  6467.66  346.434  5801.17  827.409  6609.33  381.482  194.240   14.051  208.062   6.0071 -13.82220 15.28117 
1 1 1    8    3    9 o  812.663   20.189 101270.20  5007.86 108775.00 11977.28 99680.25  5512.87  832.121   47.354  805.812   22.414 26.30920 52.39063 
1 1 1    8    3   10 o  465.125   8.6729 33045.47  1231.26 32278.72  1830.85 33678.59  1663.67  459.439   13.056  469.394   11.612 -9.955353 17.47281 
1 1 1    8    3   11 o  599.698   9.1960 54940.23  1683.24 55759.00  2132.83 53588.10  2740.86  603.973   11.570  591.759   15.175 12.21387 19.08230 
1 1 1    8    3   12 o  478.635   7.1569 34983.72  1045.55 35637.43  1701.23 34586.93  1325.42  482.847   11.543  475.821   9.1263 7.026062 14.71529 
1 1 1    8    3   13 o  1115.73   17.110 190664.30  5826.67 196146.50 10091.95 187923.09  7136.23  1127.75   29.319  1106.64   21.127 21.10474 36.13807 
1 1 1    8    3   14 o  167.967   3.5977  4306.29  184.444  4277.17  239.873  4348.42  288.491  167.388   4.6950  168.767   5.6005 -1.378647 7.308168 
1 1 1    8    3   15 o  455.520   10.485 31711.12  1457.77 31025.31  3767.95 31831.84  1580.87  447.863   27.700  456.332   11.350 -8.468292 29.93515 
1 1 1    8    3   16 o  327.387   7.5295 16369.34  752.390 15276.64  1937.21 16563.45  816.488  314.906   20.262  329.303   8.1234 -14.39700 21.83011 
1 1 1    8    3   17 o  613.037   13.192 57486.37  2468.42 53592.75  6386.79 58170.10  2676.39  586.567   35.846  616.557   14.222 -29.98969 38.56395 
1 1 1    8    3   18 o  219.645   4.5467  7364.62  304.811  6501.80  428.965  8244.58  433.203  206.342   6.8111  232.370   6.1079 -26.02882 9.148664 
1 1 1    8    3   19 o  673.630   11.426 69377.27  2349.36 68217.04  2564.37 75438.64  5861.31  667.846   12.580  699.425   27.456 -31.57953 30.20082 
1 1 1    8    3   20 o  183.467   3.8969  5138.01  218.218  4989.65  237.125  5958.63  557.681  180.794   4.2971  197.477   9.2524 -16.68243 10.20155 
1 1 1    8    3   21 o  540.816   9.8928 44699.80  1633.00 44488.52  2429.52 44873.91  2205.51  539.066   14.766  541.553   13.343 -2.487183 19.90146 
1 1 1    8    3   22 f   81.367   3.7920  1010.60   94.175  1020.17  148.398  1004.15  121.856   81.517   6.0067   80.949   4.9558 0.5681076 7.787185 
1 1 1    8    3   23 o  237.839   4.1006  8635.11  297.676  9267.49  481.988  8245.17  378.486  246.348   6.4102  232.386   5.3361 13.96173 8.340533 
1 1 1    8    3   24 o  442.186   7.3388 29866.38  990.487 29526.68  1401.09 30205.75  1400.43  439.464   10.445  444.499   10.322 -5.034180 14.68521 
1 1 1    8    3   25 f  362.721   5.9138 20091.00  654.717 20678.64  1396.69 19925.51  741.197  367.599   12.448  361.192   6.7232 6.407379 14.14780 
1 1 1    8    3   26 o  143.405   3.5877  3139.24  157.037  2995.24  173.410  3795.55  370.214  140.073   4.0561  157.615   7.6955 -17.54201 8.699013 
1 1 1    8    3   27 o  143.106   2.5827  3125.83  112.812  2951.75  181.505  3235.41  144.005  139.047   4.2767  145.587   3.2407 -6.540039 5.365858 
1 1 1    8    3   28 o  437.499   6.6883 29242.47  893.123 29168.94  1263.64 29315.86  1262.49  436.708   9.4801  437.810   9.4477 -1.101776 13.38403 
1 1 1    8    3   29 o  207.789   3.9180  6592.05  248.485  6603.37  555.902  6589.22  277.780  207.788   8.7652  207.733   4.3810 0.5467224E-01 9.799077 
1 1 1    8    3   30 o  231.326   5.0675  8173.25  357.793  7859.83  648.806  8310.23  428.906  226.618   9.3800  233.216   6.0254 -6.597412 11.14855 
1 1 1    8    3   31 f  233.753   7.2749  8355.06  519.038  8400.79  664.906  8283.72  830.450  234.247   9.2997  232.094   11.761 2.152725 14.99371 
1 1 1    8    3   32 o  203.682   3.9190  6335.33  243.636  6595.83  473.588  6241.57  284.117  207.654   7.4721  202.145   4.6049 5.509201 8.777069 
1 1 1    8    3   33 o  289.413   5.0269 12797.35  444.056 13197.70  609.011 12342.89  648.863  293.767   6.7921  284.031   7.4846 9.736176 10.10706 
1 1 1    8    3   34 o   96.255   2.4431  1414.35   71.777  1411.78   91.201  1418.55  116.344   96.159   3.1074   96.375   3.9551 -0.2163391 5.029812 
1 1 1    8    3   35 o  481.684   8.4449 35537.95  1241.58 38143.81  3105.19 35042.06  1354.58  494.617   20.568  478.130   9.2820 16.48669 22.56580 
1 1 1    8    3   36 o  218.124   3.3499  7265.38  223.023  7257.98  324.524  7271.99  307.009  217.939   4.8786  218.164   4.6105 -0.2251740 6.712496 
1 1 1    8    3   37 o  128.499   3.1102  2521.31  121.986  2674.89  212.045  2445.35  149.136  132.287   5.2516  126.530   3.8616 5.757675 6.518565 
1 1 1    8    3   38 o  236.062   3.5560  8510.74  256.215  8658.36  362.086  8362.70  362.598  238.014   4.9842  233.908   5.0788 4.105606 7.115933 
1 1 1    8    3   39 o  140.539   2.6819  3015.61  115.041  2955.18  167.197  3069.94  158.533  139.087   3.9384  141.771   3.6637 -2.683945 5.379015 
1 1 1    8    3   40 o  281.600   4.1055 12115.21  352.875 12291.95  488.070 11921.64  510.785  283.509   5.6402  279.168   5.9945 4.340637 8.230841 
1 1 1    8    3   41 o  130.592   2.3736  2603.65   94.611  2609.20  124.154  2595.95  146.111  130.713   3.1119  130.364   3.6720 0.3490143 4.813299 
1 1 1    8    3   42 o  336.391   7.4877 17335.94  768.791 17086.78  872.684 18199.45  1624.64  333.767   8.5664  342.499   15.541 -8.731476 17.74560 
1 1 1    8    3   43 o  365.859   8.2427 20524.43  920.445 21105.91  1828.02 20326.94  1065.35  368.500   16.253  363.790   9.5946 4.710693 18.87344 
1 1 1    8    3   44 o   39.255   4.7201  238.922   55.420  223.681   78.174  254.321   78.579   37.610   7.0695   40.235   6.6295 -2.625576 9.691615 
1 1 1    8    3   45 o  304.560   6.0768 14193.27  564.889 15505.97  762.673 12597.95  840.773  318.051   7.8564  286.365   9.6193 31.68600 12.41989 
1 1 1    8    3   46 o   59.388   4.5265  542.187   81.433  366.473  164.726  599.017   93.680   47.826   11.438   62.398   4.9597 -14.57151 12.46745 
1 1 1    8    3   47 o  119.569   2.5074  2182.91   91.507  2238.19  137.687  2139.19  122.468  121.038   3.7270  118.342   3.3905 2.696266 5.038438 
1 1 1    8    3   48 o  206.426   3.4878  6509.46  219.750  6354.48  352.172  6608.28  281.213  203.789   5.6618  207.924   4.4311 -4.134796 7.189672 
1 1 1    8    3   49 o  168.204   3.3194  4321.88  170.416  5075.31  302.006  3969.91  206.418  182.130   5.4327  161.163   4.1963 20.96751 6.864635 
1 1 1    8    3   50 o  146.838   3.7419  3294.79  167.705  3767.04  552.384  3246.84  176.013  155.696   11.709  145.754   3.9565 9.942184 12.35984 
1 1 1    8    3   51 o  160.686   3.0135  3944.01  147.799  4108.56  216.940  3801.48  201.906  163.923   4.3359  157.688   4.1950 6.235535 6.033133 
1 1 1    8    3   52 o  162.319   3.2843  4025.69  162.715  4112.26  259.809  3969.82  208.719  163.909   5.1932  161.124   4.2441 2.784561 6.706824 
1 1 1    8    3   53 o   86.155   3.5369  1134.51   93.007  1185.69  113.699  1030.99  161.694   88.048   4.2308   81.724   6.5370 6.324699 7.786654 
1 1 1    8    3   54 f   83.112   3.4530  1055.87   87.594  1195.78  152.358  986.794  107.056   88.144   5.6935   80.188   4.3907 7.955818 7.189927 
1 1 1    8    3   55 o  229.862   3.9613  8082.76  277.920  8234.28  352.760  7834.81  451.261  231.846   4.9850  225.844   6.5464 6.001984 8.228331 
1 1 1    8    3   56 o  168.973   3.8168  4368.38  196.850  4203.89  499.765  4398.59  214.163  164.256   10.016  169.519   4.1391 -5.262573 10.83783 
1 1 1    8    3   57 o  197.662   4.2626  5984.23  257.169  6448.49  362.453  5513.56  364.944  204.872   5.7963  189.321   6.3155 15.55099 8.572230 
1 1 1    8    3   58 o   72.176   2.8874  796.528   63.609  770.984  106.997  810.490   79.106   70.703   4.9901   72.770   3.5615 -2.066734 6.130740 
1 1 1    8    3   59 o   29.663   8.2382  140.682   77.246  174.700  168.697  131.658   86.890   35.252   12.506   29.051   8.9319 6.200451 15.36802 
1 1 1    8    3   60 o  108.075   7.2723  1817.18  238.494  1755.34  368.635  1861.69  312.771  104.632   11.746  108.667   9.5262 -4.035561 15.12323 
1 1 1    8    4    0 o  301.991   8.7291 13959.31  803.080 13959.31  803.080 13959.31  803.080  301.991   8.7291  301.991   8.7291 0.000000 0.000000 
1 1 1    8    4    1 o  492.872   7.3757 37096.54  1109.57 37114.26  1380.53 37064.21  1864.84  492.903   9.1763  492.369   12.409 0.5344849 15.43326 
1 1 1    8    4    2 o  148.618   4.0636  3371.43  184.333  3629.78  323.294  3246.98  224.378  154.179   6.8700  145.842   5.0406 8.337616 8.520808 
1 1 1    8    4    3 o  282.624   6.2416 12195.63  538.424 12741.19  923.309 11914.51  662.785  288.756   10.476  279.312   7.7744 9.443909 13.04564 
1 1 1    8    4    4 o  471.495   12.925 33993.17  1859.99 33993.17  1859.99   0.0000   0.0000  471.495   12.925  ?   ?  0.000000 12.92460 
1 1 1    8    4    5 o  403.498   16.137 24922.57  1987.42 24922.57  1987.42   0.0000   0.0000  403.498   16.137  ?   ?  0.000000 16.13734 
1 1 1    8    4    6 o  286.150   6.3188 12501.99  551.879 11444.90  1088.12 12868.09  640.352  273.577   13.031  290.289   7.2272 -16.71164 14.90108 
1 1 1    8    4    7 o  611.950   9.8995 57216.17  1849.03 55473.03  2516.16 59262.65  2726.31  602.239   13.688  622.403   14.351 -20.16321 19.83248 
1 1 1    8    4    8 o   83.708   3.2603  1069.49   83.299  917.802  122.066  1201.70  113.957   77.363   5.1997   88.728   4.2079 -11.36471 6.689025 
1 1 1    8    4    9 o  169.828   4.0504  4402.42  209.953  4228.08  714.045  4418.92  219.663  165.639   14.263  170.145   4.2298 -4.505875 14.87671 
1 1 1    8    4   10 o  897.866   17.761 123495.70  4867.46 121043.80  5544.85 131731.80 10162.50  888.363   20.449  921.888   36.116 -33.52490 41.50400 
1 1 1    8    4   11 o  265.993   5.5448 10801.65  450.167 10780.25  666.971 10819.55  610.089  265.670   8.2252  266.172   7.5095 -0.5020447 11.13767 
1 1 1    8    4   12 o  519.870   7.0889 41271.05  1124.84 41494.44  1590.74 41047.65  1590.80  521.115   10.001  518.298   10.056 2.816650 14.18247 
1 1 1    8    4   13 o  372.361   6.7736 21172.15  769.846 20815.69  1089.25 21527.93  1088.20  369.103   9.6686  375.372   9.4980 -6.269287 13.55335 
1 1 1    8    4   14 o  422.589   9.9215 27287.89  1279.71 28120.05  3324.94 27143.19  1386.52  426.713   25.648  421.419   10.779 5.293304 27.82109 
1 1 1    8    4   15 o   38.507   3.9993  228.785   46.319  321.477   70.857  159.619   61.208   45.595   5.1837   31.750   6.5339 13.84464 8.340405 
1 1 1    8    4   16 o  677.119   40.792 71757.24  8391.11   0.0000   0.0000 71757.24  8391.11  ?   ?   677.119   40.792 0.000000 40.79150 
1 1 1    8    4   17 o  682.665   17.228 71407.77  3589.70 69756.05  3950.42 79233.08  8598.61  674.398   19.192  711.931   39.729 -37.53290 44.12161 
1 1 1    8    4   18 o  267.516   7.3329 10929.70  598.746 10401.94  710.216 12226.42  1113.25  260.930   8.9176  282.720   12.901 -21.78946 15.68299 
1 1 1    8    4   19 f   67.374   3.3416  692.844   68.716  773.885  100.968  622.922   93.786   71.045   4.6825   63.692   4.8610 7.352806 6.749442 
1 1 1    8    4   20 o  413.321   7.3210 26091.45  923.584 27433.38  1206.49 24191.92  1435.43  423.714   9.3290  397.743   11.824 25.97089 15.06105 
1 1 1    8    4   21 o  359.385   8.9052 19734.15  976.829 19674.23  1057.81 20081.18  2545.65  358.802   9.6591  360.566   23.255 -1.764679 25.18126 
1 1 1    8    4   22 o  454.230   8.7861 31524.93  1218.12 31928.14  1721.75 31120.85  1723.60  456.861   12.347  451.033   12.520 5.827667 17.58434 
1 1 1    8    4   23 o  560.107   8.9233 47938.81  1525.50 47233.06  2565.06 48325.03  1897.55  555.301   15.134  562.166   11.059 -6.864746 18.74394 
1 1 1    8    4   24 o  696.658   10.185 74198.87  2165.78 69880.65  3752.83 76355.25  2651.97  674.766   18.222  706.421   12.300 -31.65546 21.98427 
1 1 1    8    4   25 o  631.725   11.926 61063.46  2299.50 62539.82  4349.21 60490.63  2709.12  637.222   22.362  628.424   14.124 8.798035 26.44858 
1 1 1    8    4   26 o  524.789   9.6974 42109.68  1553.31 41713.23  2941.20 42263.02  1829.20  521.009   18.495  525.552   11.403 -4.543213 21.72812 
1 1 1    8    4   27 o  227.362   3.4217  7891.11  237.449  8014.62  432.599  7837.86  284.066  229.065   6.1874  226.580   4.1075 2.484909 7.426711 
1 1 1    8    4   28 o  832.227   10.239 105988.40  2600.86 103993.30  3678.65 107982.40  3677.70  823.183   14.641  838.911   14.363 -15.72791 20.50994 
1 1 1    8    4   29 o  759.157   14.790 88531.59  3426.94 87198.74  4122.22 91513.79  6166.08  752.257   17.953  766.404   26.359 -14.14722 31.89264 
1 1 1    8    4   30 o  263.341   5.7301 10595.30  460.570 10443.05  551.205 10947.49  838.338  261.375   6.9093  267.347   10.274 -5.972565 12.38091 
1 1 1    8    4   31 f  339.648   4.8735 17621.68  505.232 17122.66  715.138 18118.94  713.875  334.640   7.0016  344.257   6.7940 -9.616913 9.756006 
1 1 1    8    4   32 o  194.167   2.9956  5755.82  177.533  5891.79  245.072  5605.67  257.530  196.415   4.0879  191.575   4.4043 4.839600 6.009050 
1 1 1    8    4   33 o  196.747   3.3945  5910.65  203.847  5852.40  250.626  6024.52  350.391  195.747   4.1948  198.531   5.7824 -2.784180 7.143709 
1 1 1    8    4   34 o  371.911   7.7746 21172.20  882.542 21393.95  1854.80 21107.30  1003.41  371.961   16.337  371.176   8.8569 0.7848206 18.58374 
1 1 1    8    4   35 o  313.653   4.8926 15032.48  468.390 14334.27  787.239 15415.09  582.762  305.905   8.4315  317.518   6.0132 -11.61288 10.35606 
1 1 1    8    4   36 o  202.940   3.1468  6288.66  194.917  6040.98  346.978  6402.86  235.606  198.778   5.7190  204.750   3.7700 -5.971741 6.849788 
1 1 1    8    4   37 o  265.501   4.7188 10771.65  382.400 10991.69  541.005 10551.95  540.587  268.033   6.6130  262.603   6.7445 5.429657 9.445603 
1 1 1    8    4   38 o  134.416   3.2748  2759.13  134.353  2790.58  148.994  2622.31  310.789  135.170   3.6114  130.607   7.8323 4.562851 8.624804 
1 1 1    8    4   39 o  181.062   3.3100  5006.65  182.925  5324.23  282.944  4778.59  239.772  186.635   4.9670  176.841   4.4422 9.793991 6.663627 
1 1 1    8    4   40 o  401.964   4.9596 24698.37  608.486 24924.79  911.131 24516.09  817.519  403.400   7.3999  400.211   6.6926 3.189331 9.977434 
1 1 1    8    4   41 o  379.525   5.4822 22026.94  635.053 22717.96  1016.33 21584.32  813.394  384.847   8.6522  375.433   7.0983 9.413788 11.19136 
1 1 1    8    4   42 o   52.257   3.0416  418.429   48.304  470.358   69.077  368.739   67.572   55.331   4.1198   48.906   4.5801 6.425426 6.160357 
1 1 1    8    4   43 o  156.992   2.9671  3763.67  142.175  3932.92  235.281  3666.32  178.439  160.403   4.8057  154.919   3.7737 5.483932 6.110296 
1 1 1    8    4   44 o  216.742   4.4159  7179.15  292.134  8424.29  761.934  6964.57  316.306  234.007   10.668  213.447   4.8551 20.55907 11.72062 
1 1 1    8    4   45 o   40.779   9.3649  265.547  114.103  284.163  120.213   96.243  362.524   42.183   9.5580   42.393   17.430 -0.2101440 19.87905 
1 1 1    8    4   46 o  243.042   4.3000  9027.20  318.986  9543.04  391.707  8011.60  549.621  249.816   5.1372  228.591   7.8775 21.22569 9.404531 
1 1 1    8    4   47 o  174.255   2.2574  4635.88  120.066  4675.80  159.037  4582.97  183.091  174.978   2.9778  173.211   3.4632 1.766800 4.567376 
1 1 1    8    4   48 o  215.462   4.0715  7094.53  267.754  6753.80  482.879  7245.80  321.748  209.874   7.5381  217.684   4.8425 -7.810486 8.959536 
1 1 1    8    4   49 o  108.779   2.7172  1807.02   90.217  2030.20  199.090  1749.35  101.204  115.175   5.6634  107.019   3.0983 8.156700 6.455451 
1 1 1    8    4   50 o  204.764   2.8146  6403.59  175.907  6525.19  291.573  6334.01  220.570  206.567   4.6245  203.603   3.5493 2.963486 5.829579 
1 1 1    8    4   51 o  299.839   3.1684 13734.56  289.963 14464.77  436.366 13157.20  388.019  307.523   4.6490  293.337   4.3338 14.18576 6.355684 
1 1 1    8    4   52 o  183.741   3.3268  5158.74  186.576  5004.55  259.324  5324.21  268.640  180.862   4.6976  186.547   4.7181 -5.684830 6.657931 
1 1 1    8    4   53 o  108.659   2.7766  1803.59   92.087  1752.84  129.085  1856.18  131.407  107.067   3.9501  110.180   3.9075 -3.113235 5.556218 
1 1 1    8    4   54 o   92.799   2.9796  1315.87   84.396  1444.44  258.181  1300.48   89.302   96.364   8.8777   92.248   3.1717 4.116684 9.427283 
1 1 1    8    4   55 f  209.685   2.9189  6718.97  186.812  7373.67  293.038  6270.73  242.472  219.480   4.3743  202.460   3.9238 17.01982 5.876298 
1 1 1    8    4   56 o  101.232   4.2096  1568.94  130.068  1549.17  142.307  1669.26  320.593  100.558   4.6365  103.114   10.325 -2.556107 11.31834 
1 1 1    8    4   57 o  314.143   5.2680 15146.99  505.118 15606.18  878.264 14920.02  617.459  317.095   9.0744  311.318   6.4981 5.777496 11.16110 
1 1 1    8    4   58 o  110.734   2.4957  1874.05   84.350  1864.50  121.054  1883.06  117.599  110.365   3.5936  110.924   3.4735 -0.5589981 4.997921 
1 1 1    8    4   59 o   24.847   9.1151   78.030   90.533  104.658  115.311   35.240  146.174   28.310   10.302   26.613   11.018 1.696926 15.08383 
1 1 1    8    4   60 o  146.455   5.1057  3298.32  228.232   0.0000   0.0000  3298.32  228.232  ?   ?   146.455   5.1057 0.000000 5.105698 
1 1 1    8    5    0 o   51.260   4.1033  408.697   63.252  408.697   63.252  408.697   63.252   51.260   4.1033   51.260   4.1033 0.000000 0.000000 
1 1 1    8    5    1 o  261.224   6.1509 10418.52  490.418 10309.75  568.764 10733.75  968.287  259.836   7.1716  264.982   11.972 -5.145935 13.95578 
1 1 1    8    5    2 f  644.496   9.8031 63462.79  1928.41 64659.06  3139.22 62737.78  2443.88  649.952   15.824  640.577   12.499 9.374756 20.16540 
1 1 1    8    5    3 o  579.384   12.693 51326.92  2244.66 55053.68  4410.36 50024.11  2607.66  598.566   24.140  571.775   14.942 26.79114 28.39055 
1 1 1    8    5    4 o  569.852   11.027 49628.90  1917.93 49628.90  1917.93   0.0000   0.0000  569.852   11.027  ?   ?  0.000000 11.02689 
1 1 1    8    5    5 o   64.524   7.1876  643.643  139.148  643.643  139.148   0.0000   0.0000   64.524   7.1876  ?   ?  0.000000 7.187589 
1 1 1    8    5    6 o  627.774   10.733 60226.44  2056.47 59415.44  2245.01 64455.51  5126.59  623.444   11.798  647.303   25.948 -23.85858 28.50418 
1 1 1    8    5    7 o  190.042   3.7696  5512.66  218.658  5237.74  299.415  5826.83  320.076  185.228   5.2960  195.366   5.3677 -10.13797 7.540563 
1 1 1    8    5    8 o  450.126   10.464 30961.88  1437.63 31747.90  3745.77 30826.10  1556.86  453.297   27.199  449.085   11.358 4.212006 29.47526 
1 1 1    8    5    9 o   94.883   4.4887  1374.27  129.994   0.0000   0.0000  1374.27  129.994  ?   ?    94.883   4.4887 0.000000 4.488658 
1 1 1    8    5   10 o  237.148   5.0839  8585.51  367.987  8604.91  520.551  8566.13  520.273  237.379   7.1846  236.843   7.1970 0.5358124 10.16938 
1 1 1    8    5   11 o  271.032   5.2117 11214.38  431.138 10881.83  609.813 11546.72  609.630  266.935   7.4847  274.975   7.2637 -8.039581 10.42984 
1 1 1    8    5   12 o  584.729   13.420 52298.32  2395.16 52617.51  6210.07 52242.54  2596.01  581.629   35.146  584.300   14.556 -2.671082 38.04136 
1 1 1    8    5   13 o  437.802   8.1770 29276.31  1092.66 30388.40  3537.92 29159.04  1148.83  443.509   26.252  436.904   8.6149 6.605896 27.62959 
1 1 1    8    5   14 f  341.463   5.5488 17801.18  578.309 16737.59  999.859 18335.85  708.920  330.959   9.8980  346.521   6.7027 -15.56174 11.95395 
1 1 1    8    5   15 o  369.786   5.9565 20878.25  672.298 19352.87  1162.58 21644.63  824.058  355.834   10.704  376.472   7.1715 -20.63815 12.88460 
1 1 1    8    5   16 o  145.160   3.1237  3216.17  138.401  3145.86  225.518  3258.64  175.294  143.548   5.1471  146.110   3.9307 -2.561508 6.476376 
1 1 1    8    5   17 o  513.585   7.9998 40290.09  1254.03 38693.58  1535.16 43492.05  2174.08  503.182   9.9956  533.180   13.359 -29.99826 16.68485 
1 1 1    8    5   18 o  407.367   11.370 25372.02  1413.77 25372.02  1413.77   0.0000   0.0000  407.367   11.370  ?   ?  0.000000 11.37035 
1 1 1    8    5   19 o  564.064   15.353 48722.05  2643.29 48722.05  2643.29   0.0000   0.0000  564.064   15.353  ?   ?  0.000000 15.35324 
1 1 1    8    5   20 o  435.677   11.108 29020.93  1477.17 28903.19  1626.85 29573.94  3525.69  434.705   12.261  437.149   26.550 -2.443390 29.24417 
1 1 1    8    5   21 o  446.517   7.6476 30454.51  1042.27 30445.97  1536.43 30461.79  1418.59  446.219   11.281  446.399   10.412 -0.1803284 15.35128 
1 1 1    8    5   22 o  354.404   6.2438 19180.34  675.407 19258.55  995.210 19113.57  919.604  354.997   9.1849  353.692   8.5184 1.305328 12.52697 
1 1 1    8    5   23 o  538.250   8.4465 44266.88  1387.64 45274.31  2034.21 43390.10  1897.73  543.979   12.252  532.602   11.674 11.37787 16.92289 
1 1 1    8    5   24 o  196.770   4.6337  5911.18  278.293  5807.60  358.408  6068.46  441.626  195.012   6.0214  199.314   7.2594 -4.301895 9.431638 
1 1 1    8    5   25 o  314.470   5.1603 15099.83  495.299 13939.54  832.964 15734.48  616.040  301.983   9.0371  320.970   6.2882 -18.98685 11.00955 
1 1 1    8    5   26 o  180.561   2.7981  4976.36  154.210  4958.21  222.179  4993.23  214.211  180.215   4.0392  180.853   3.8806 -0.6377258 5.601266 
1 1 1    8    5   27 o  606.165   9.1976 56193.59  1701.70 54972.02  2406.46 57415.38  2406.69  598.878   13.165  612.099   12.882 -13.22076 18.41910 
1 1 1    8    5   28 o  673.090   11.565 69405.01  2375.88 68788.52  3232.64 70129.22  3503.71  668.981   15.832  675.099   17.004 -6.118958 23.23289 
1 1 1    8    5   29 o   82.002   3.3402  1026.58   83.602  1018.77  117.168  1034.69  119.324   81.537   4.7283   82.170   4.7783 -0.6331329 6.722263 
1 1 1    8    5   30 o  304.295   6.7663 14155.17  628.438 13794.88  773.025 14857.39  1079.20  300.256   8.4350  311.270   11.359 -11.01437 14.14850 
1 1 1    8    5   31 o  279.354   3.9418 11917.27  336.096 12436.18  610.026 11691.09  402.734  285.173   7.0085  276.649   4.7695 8.523712 8.477419 
1 1 1    8    5   32 o  138.456   4.0090  2927.69  169.421  3181.14  325.870  2833.81  198.332  144.005   7.4394  136.197   4.7710 7.808167 8.837782 
1 1 1    8    5   33 o  311.065   4.5189 14781.47  429.045 15019.13  607.524 14545.01  606.002  313.404   6.3510  308.410   6.4377 4.994598 9.043151 
1 1 1    8    5   34 o   91.182   3.5679  1269.66   99.298  1251.56  145.435  1285.46  135.906   90.340   5.2976   91.592   4.8790 -1.252121 7.202039 
1 1 1    8    5   35 o  159.002   3.0344  3860.18  147.260  4054.10  188.397  3555.61  236.100  162.924   3.7885  152.533   5.0713 10.39175 6.330155 
1 1 1    8    5   36 o  384.423   5.5064 22591.95  646.088 23135.97  1140.67 22334.97  783.969  388.339   9.6235  382.069   6.7226 6.269409 11.73906 
1 1 1    8    5   37 o  354.020   4.8887 19154.03  528.243 19103.91  747.137 19204.13  746.958  353.302   6.9285  354.231   6.9086 -0.9284363 9.784322 
1 1 1    8    5   38 o  167.177   2.8693  4267.40  146.412  4253.93  263.408  4273.43  176.126  166.816   5.1734  167.276   3.4496 -0.4593964 6.218001 
1 1 1    8    5   39 o  101.487   2.3582  1572.40   73.048  1507.74  105.270  1632.45  101.448   99.357   3.4713  103.390   3.2147 -4.033058 4.731205 
1 1 1    8    5   40 f  434.671   5.5084 28893.15  730.807 29081.12  897.455 28523.17  1259.08  435.861   6.7460  430.993   9.5712 4.867645 11.70967 
1 1 1    8    5   41 o  339.135   4.7801 17579.86  494.798 17836.88  699.447 17322.39  700.054  341.344   6.7134  336.368   6.8187 4.975464 9.568932 
1 1 1    8    5   42 o  151.286   2.7892  3494.79  128.794  3512.51  181.194  3476.69  183.105  151.629   3.9151  150.851   3.9768 0.7777863 5.580597 
1 1 1    8    5   43 o  291.104   3.7289 12945.22  331.322 13185.99  505.733 12764.19  438.538  293.613   5.6433  288.951   4.9724 4.661804 7.521371 
1 1 1    8    5   44 o   65.682   2.9042  658.784   58.222  725.004   77.816  574.571   87.753   68.791   3.7200   61.127   4.7405 7.663776 6.025810 
1 1 1    8    5   45 o   98.215   2.9437  1473.06   88.244  1492.82  114.552  1444.21  138.392   98.851   3.7967   97.202   4.6647 1.649048 6.014467 
1 1 1    8    5   46 o  288.156   4.8464 12694.68  426.253 12964.37  522.865 12160.31  736.005  291.077   5.8852  281.491   8.5664 9.586304 10.39325 
1 1 1    8    5   47 o  122.631   3.2996  2297.02  123.501  2494.14  218.247  2204.16  149.791  127.679   5.6003  120.098   4.0863 7.580818 6.932628 
1 1 1    8    5   48 o   45.230   5.7972  318.187   78.189  459.281  370.366  311.606   79.992   55.501   18.580   44.720   6.0128 10.78082 19.52850 
1 1 1    8    5   49 o  145.892   3.0993  3251.08  138.012  3296.41  234.371  3227.02  170.758  146.786   5.2312  145.316   3.8499 1.470215 6.495168 
1 1 1    8    5   50 o  275.812   3.5608 11623.93  299.766 12110.24  435.015 11184.20  413.658  281.343   5.0658  270.379   5.0125 10.96356 7.126538 
1 1 1    8    5   51 o   84.094   3.2214  1080.44   82.686  1096.66  141.615  1072.05  101.850   84.454   5.5243   83.742   3.9847 0.7111816 6.811425 
1 1 1    8    5   52 o  105.676   3.6529  1706.96  117.824  1496.56  150.095  2044.79  190.193   98.757   4.9957  115.556   5.3925 -16.79863 7.350881 
1 1 1    8    5   53 o  156.271   2.7367  3730.47  130.532  4072.00  240.041  3587.08  155.539  163.101   4.8218  153.202   3.3263 9.898438 5.857827 
1 1 1    8    5   54 o  321.420   3.7029 15797.80  363.272 15501.27  595.124 15973.91  458.630  317.838   6.1346  323.021   4.6517 -5.182587 7.698805 
1 1 1    8    5   55 f  103.499   2.7923  1636.88   88.211  1616.16  264.618  1639.47   93.562  101.943   8.5843  103.573   2.9596 -1.629265 9.080140 
1 1 1    8    5   56 o  219.363   3.0550  7356.61  204.549  7359.21  325.096  7354.90  263.172  219.107   4.8611  219.211   3.9333 -0.1038666 6.253148 
1 1 1    8    5   57 o   30.177   8.1891  145.630   77.353  218.685  176.385  128.234   86.071   38.189   12.822   28.768   8.8972 9.421209 15.60635 
1 1 1    8    5   58 o   76.506   3.7768  896.369   88.193  1111.68  133.744  730.710  117.312   84.915   5.1851   68.702   5.6443 16.21230 7.664467 
1 1 1    8    5   59 o   16.893   7.1286   4.6192   62.976   80.912  115.368 -27.7637   75.162   26.767   10.192   16.570   7.3752 10.19733 12.58084 
1 1 1    8    6    0 o  1111.57   67.009 195766.59 22545.54 195766.59 22545.54 195766.59 22545.54  1111.57   67.009  1111.57   67.009 0.000000 0.000000 
1 1 1    8    6    1 o  174.212   3.9649  4632.61  210.829  4745.92  298.321  4519.55  297.995  176.314   5.5434  172.056   5.6744 4.257645 7.932769 
1 1 1    8    6    2 o  281.270   5.3741 12077.65  461.367 12408.66  652.500 11746.71  652.442  285.051   7.4997  277.339   7.7075 7.712585 10.75410 
1 1 1    8    6    3 o  220.908   4.6897  7449.44  316.205  7424.27  332.291  7690.64  1028.77  220.531   4.9366  223.667   15.159 -3.135574 15.94264 
1 1 1    8    6    4 o  574.610   13.157 50493.79  2307.48 50493.79  2307.48   0.0000   0.0000  574.610   13.157  ?   ?  0.000000 13.15672 
1 1 1    8    6    5 o  433.778   10.694 28755.64  1415.82 28755.64  1415.82   0.0000   0.0000  433.778   10.694  ?   ?  0.000000 10.69360 
1 1 1    8    6    6 o  802.809   16.770 98695.82  4109.25 98178.48  4404.77 102167.90 11411.18  800.489   18.028  806.375   46.562 -5.886047 49.92992 
1 1 1    8    6    7 o  265.198   6.9241 10739.53  560.471 11794.70  1452.44 10554.92  607.524  276.964   17.267  262.894   7.5712 14.06961 18.85437 
1 1 1    8    6    8 f  490.942   19.300 36953.25  2892.07   0.0000   0.0000 36953.25  2892.07  ?   ?   490.942   19.300 0.000000 19.30022 
1 1 1    8    6    9 o  304.276   5.7967 14135.35  538.355 13756.81  803.143 14444.22  725.467  300.093   8.7684  307.532   7.7288 -7.439331 11.68839 
1 1 1    8    6   10 o  324.619   6.2825 16089.90  622.479 15572.71  842.396 16711.98  923.870  319.288   8.6440  330.742   9.1518 -11.45413 12.58865 
1 1 1    8    6   11 o  379.978   7.5235 22050.68  872.560 21499.63  1234.19 22601.37  1233.78  375.057   10.781  384.560   10.511 -9.503937 15.05730 
1 1 1    8    6   12 o  608.162   25.411 56922.07  4716.87 57599.11  6671.95 56245.56  6669.37  608.165   36.105  600.807   36.543 7.357788 51.37048 
1 1 1    8    6   13 o  504.563   12.540 38933.70  1931.17 39065.05  4627.44 38906.00  2125.08  501.994   30.344  504.272   13.807 -2.277985 33.33731 
1 1 1    8    6   14 o  343.783   5.5493 18044.14  582.287 17789.95  949.034 18197.60  737.399  341.232   9.1120  345.199   6.9987 -3.966919 11.48957 
1 1 1    8    6   15 o  443.664   8.7908 30071.67  1190.41 32310.80  2348.80 29297.72  1380.91  459.243   16.757  437.829   10.333 21.41431 19.68661 
1 1 1    8    6   16 o  407.201   9.3011 25335.58  1156.01 25242.49  2281.37 25367.74  1340.90  405.734   18.422  407.374   10.784 -1.640137 21.34638 
1 1 1    8    6   17 o  180.972   4.1896  4999.41  231.420  4970.93  243.619  5262.62  740.605  180.453   4.4231  185.001   13.203 -4.547363 13.92377 
1 1 1    8    6   18 f  180.401   4.0262  4967.85  221.692  5012.22  233.214  4551.77  714.140  181.203   4.2167  171.922   13.724 9.281204 14.35686 
1 1 1    8    6   19 o  703.595   13.258 75748.08  2847.17 75073.75  2994.54 82097.41  9188.82  700.349   14.009  722.947   41.821 -22.59772 44.10499 
1 1 1    8    6   20 f  743.072   12.834 84479.30  2910.81 85126.13  4329.62 83945.81  3932.05  744.779   19.046  739.935   17.410 4.843201 25.80452 
1 1 1    8    6   21 o  949.047   21.164 138445.00  6130.65 135730.30  7316.24 144844.91 11233.56  938.165   25.550  962.988   38.219 -24.82288 45.97282 
1 1 1    8    6   22 o  216.630   5.6844  7165.73  375.855  7283.91  441.361  6853.88  716.973  218.387   6.6214  211.406   11.151 6.981018 12.96855 
1 1 1    8    6   23 o  454.748   6.5199 31583.60  904.954 33433.73  1488.88 30499.66  1139.62  467.598   10.432  446.767   8.3572 20.83191 13.36679 
1 1 1    8    6   24 o  325.613   4.9450 16188.15  491.456 16052.02  730.870 16300.50  663.983  324.145   7.3873  326.677   6.6592 -2.531860 9.945662 
1 1 1    8    6   25 o  156.424   3.1558  3734.98  150.670  3807.29  200.199  3640.52  228.816  157.919   4.1535  154.411   4.8550 3.507843 6.389248 
1 1 1    8    6   26 o  395.660   4.9355 23905.01  596.032 24118.28  933.991 23758.48  774.162  397.252   7.7030  394.364   6.4316 2.887939 10.03501 
1 1 1    8    6   27 o  494.229   9.0054 37361.41  1358.47 36484.82  2115.69 37976.34  1772.00  487.579   14.216  497.901   11.660 -10.32224 18.38654 
1 1 1    8    6   28 o  321.975   5.7659 15837.70  566.639 17166.98  1246.06 15491.15  636.227  334.600   12.201  318.385   6.5470 16.21567 13.84663 
1 1 1    8    6   29 o  498.190   13.529 38127.01  2057.13 36564.80  3250.43 39170.80  2656.93  485.289   21.944  503.923   17.274 -18.63376 27.92768 
1 1 1    8    6   30 o  494.686   6.7968 37415.92  1026.24 35871.23  1451.53 38959.73  1451.11  483.875   9.8282  504.354   9.4265 -20.47928 13.61807 
1 1 1    8    6   31 o  237.306   5.0234  8603.84  363.855  8446.47  456.326  8878.54  602.899  235.047   6.3607  240.841   8.2016 -5.793839 10.37903 
1 1 1    8    6   32 o  187.737   3.2905  5381.58  188.549  5287.43  232.178  5563.91  323.115  186.061   4.0883  190.800   5.5483 -4.738678 6.891913 
1 1 1    8    6   33 o  130.616   3.1208  2604.90  124.415  2377.87  180.805  2809.08  171.466  124.754   4.7483  135.613   4.1425 -10.85889 6.301327 
1 1 1    8    6   34 o  352.469   6.7162 19004.97  722.535 19478.09  1021.47 18531.19  1022.17  356.423   9.3895  347.608   9.6342 8.814240 13.45291 
1 1 1    8    6   35 o  137.874   2.9407  2902.42  123.752  2943.89  199.444  2876.46  157.804  138.803   4.7077  137.234   3.7674 1.568375 6.029518 
1 1 1    8    6   36 o  446.309   5.9988 30463.17  817.179 31124.40  1130.57 29739.77  1182.52  450.711   8.2183  440.444   8.7963 10.26605 12.03805 
1 1 1    8    6   37 o  218.930   2.9443  7318.62  196.743  7513.63  310.611  7187.97  254.248  221.743   4.5893  216.926   3.8400 4.816635 5.983928 
1 1 1    8    6   38 o  439.013   5.6802 29474.21  761.134 30559.69  1376.81 28996.46  913.400  446.024   10.113  435.231   6.8758 10.79245 12.22940 
1 1 1    8    6   39 o  287.613   3.9016 12637.00  342.509 12898.40  593.433 12506.42  419.418  290.286   6.6977  286.048   4.8039 4.237793 8.242387 
1 1 1    8    6   40 o  116.243   2.8083  2063.26   99.637  2198.20  127.128  1848.37  160.430  119.967   3.4719  109.967   4.7798 9.999763 5.907619 
1 1 1    8    6   41 o  421.891   8.6675 27306.07  1116.12 27840.25  2333.17 27147.55  1270.98  422.310   18.101  420.328   9.9068 1.981293 20.63456 
1 1 1    8    6   42 o  255.747   3.7158  9991.54  290.058 10188.06  410.161  9794.94  410.248  258.129   5.2060  253.090   5.3107 5.038925 7.436786 
1 1 1    8    6   43 f  267.915   3.4011 10963.23  278.119 11430.71  425.326 10614.04  367.598  273.427   5.0964  263.526   4.5702 9.900757 6.845428 
1 1 1    8    6   44 f  295.960   4.4984 13387.29  406.357 14033.68  670.036 13011.21  511.073  302.666   7.2530  291.639   5.7414 11.02679 9.250408 
1 1 1    8    6   45 o   54.509   3.5761  455.835   59.167  512.138  133.294  442.018   66.029   57.274   7.8300   53.631   4.0638 3.642792 8.821810 
1 1 1    8    6   46 o  233.141   4.7335  8309.71  336.833  8915.30  482.442  7733.75  470.492  241.293   6.5506  224.699   6.8601 16.59389 9.485371 
1 1 1    8    6   47 o   31.514   8.5164  157.544   83.864  218.798  357.527  153.978   86.271   46.044   17.837   31.225   8.7182 14.81878 19.85365 
1 1 1    8    6   48 o  186.130   3.1510  5291.78  179.014  5630.55  256.820  4971.63  249.661  191.917   4.3843  180.328   4.5360 11.58958 6.308473 
1 1 1    8    6   49 o  195.394   3.5973  5833.67  214.541  5845.92  273.686  5814.14  345.536  195.525   4.5860  194.876   5.8092 0.6489563 7.401248 
1 1 1    8    6   50 o   30.040   4.2907  140.758   38.223  117.122   85.015  146.746   42.792   27.872   8.8744   30.618   4.7316 -2.745922 10.05699 
1 1 1    8    6   51 o  229.556   3.3549  8052.06  235.062  8780.21  406.915  7687.38  287.971  239.447   5.5677  224.217   4.2079 15.23082 6.978947 
1 1 1    8    6   52 o  216.799   3.8470  7186.00  254.565  7250.91  430.357  7151.07  315.725  217.413   6.4852  216.164   4.7853 1.249359 8.059607 
1 1 1    8    6   53 o  154.300   2.8749  3637.55  135.398  3700.47  255.876  3613.09  159.569  155.409   5.3943  153.746   3.4004 1.662903 6.376600 
1 1 1    8    6   54 o  212.923   3.9700  6935.48  258.007  7138.04  367.236  6738.04  362.563  215.757   5.5765  209.609   5.6671 6.148575 7.950663 
1 1 1    8    6   55 f  112.538   2.4679  1934.85   84.771  2041.60  176.914  1903.04   96.580  115.409   5.0223  111.590   2.8356 3.818726 5.767516 
1 1 1    8    6   56 o   83.489   2.7130  1065.33   69.134  1034.34  285.516  1067.26   71.254   80.373   12.007   83.561   2.7938 -3.187386 12.32745 
1 1 1    8    6   57 o  223.656   4.9718  7676.89  339.398   0.0000   0.0000  7676.89  339.398  ?   ?   223.656   4.9718 0.000000 4.971764 
1 1 1    8    6   58 o  147.269   14.735  3522.16  653.431   0.0000   0.0000  3522.16  653.431  ?   ?   147.269   14.735 0.000000 14.73465 
1 1 1    8    6   59 o  180.869   5.4441  5034.57  300.542  5364.35  942.737  4997.27  317.086  179.247   17.453  180.105   5.7681 -0.8584747 18.38134 
1 1 1    8    7    0 o   21.962   6.5946   91.010   38.523   91.010   38.523   91.010   38.523   21.962   6.5946   21.962   6.5946 0.000000 0.000000 
1 1 1    8    7    1 o  786.434   11.767 94548.65  2824.55 94272.07  4598.07 94716.27  3579.55  784.166   19.211  786.723   14.907 -2.557678 24.31629 
1 1 1    8    7    2 o  1051.32   21.957 169688.00  7045.88 166052.80  8187.36 180066.70 13834.06  1038.82   25.822  1074.44   42.184 -35.61658 49.45993 
1 1 1    8    7    3 o  933.289   21.265 133677.00  6057.47 131885.70  6566.48 143905.91 15691.45  926.516   23.220  952.425   54.202 -25.90881 58.96623 
1 1 1    8    7    4 o  177.436   5.5403  4806.56  300.048  4706.46  324.879  5387.35  782.532  175.571   6.0625  187.158   13.796 -11.58658 15.06917 
1 1 1    8    7    5 o  390.245   9.5451 23267.97  1136.93 24476.10  2086.84 22758.02  1355.81  399.742   17.104  385.844   11.513 13.89798 20.61742 
1 1 1    8    7    6 o  856.203   18.582 112366.40  4856.04 110857.30  5205.35 122491.60 13483.34  850.128   20.061  880.552   50.377 -30.42401 54.22436 
1 1 1    8    7    7 o  1079.17   22.732 178906.30  7487.55 181018.70  8701.22 172879.00 14698.15  1084.32   26.291  1050.32   45.848 34.00293 52.85152 
1 1 1    8    7    8 o  468.699   11.891 33586.73  1701.17   0.0000   0.0000 33586.73  1701.17  ?   ?   468.699   11.891 0.000000 11.89146 
1 1 1    8    7    9 o  340.118   8.9677 17672.66  930.955 17457.20  1024.16 18697.38  2233.50  337.999   9.9274  348.384   21.104 -10.38589 23.32227 
1 1 1    8    7   10 o  308.952   5.6971 14573.20  537.235 14825.52  799.830 14365.79  725.174  311.536   8.4115  306.690   7.7469 4.846527 11.43533 
1 1 1    8    7   11 o  620.619   12.246 58899.02  2319.69 60301.33  2768.48 55594.63  4249.78  627.717   14.450  601.411   23.151 26.30652 27.29074 
1 1 1    8    7   12 f  532.989   12.224 43441.36  1988.57 44240.96  3654.36 43104.99  2370.22  536.607   22.312  530.689   14.633 5.918213 26.68237 
1 1 1    8    7   13 o  352.218   6.7541 18944.50  726.094 18567.82  983.186 19396.41  1076.91  348.603   9.2403  356.266   9.9035 -7.662170 13.54481 
1 1 1    8    7   14 o  192.102   4.2342  5633.23  248.265  5613.33  260.578  5828.98  817.283  191.759   4.4521  194.686   13.844 -2.926788 14.54222 
1 1 1    8    7   15 o  506.073   12.660 39174.54  1955.55 39174.54  1955.55   0.0000   0.0000  506.073   12.660  ?   ?  0.000000 12.66012 
1 1 1    8    7   16 o  653.115   11.834 65230.23  2359.15 65244.77  2481.21 65093.29  7615.44  653.117   12.447  644.961   38.867 8.156250 40.81104 
1 1 1    8    7   17 o  319.990   5.9068 15634.47  576.905 15787.06  606.766 14197.75  1861.88  321.539   6.1826  303.433   20.219 18.10663 21.14347 
1 1 1    8    7   18 o  448.840   8.0803 30775.18  1106.97 30282.71  1632.44 31194.41  1506.17  444.968   12.020  451.702   10.925 -6.734344 16.24246 
1 1 1    8    7   19 f  410.950   7.5655 25796.11  948.945 25181.08  1399.16 26319.99  1291.34  405.798   11.296  414.951   10.196 -9.152039 15.21727 
1 1 1    8    7   20 o  989.357   22.997 150668.70  6944.62 170631.41 18007.10 147180.80  7526.89  1028.59   57.588  976.984   25.241 51.60358 62.87712 
1 1 1    8    7   21 o  492.283   21.060 37265.45  3164.45 36662.69  4473.74 37869.00  4476.67  485.417   30.348  493.516   29.860 -8.099121 42.57440 
1 1 1    8    7   22 o  299.118   7.5279 13668.56  687.276 13325.67  815.041 14512.38  1278.57  295.275   9.0435  307.853   13.607 -12.57736 16.33822 
1 1 1    8    7   23 o  233.276   4.7415  8308.45  337.601  7659.52  526.103  8762.73  440.183  223.899   7.6984  239.536   6.0207 -15.63658 9.773131 
1 1 1    8    7   24 o  667.012   11.811 68103.80  2404.47 65958.83  3746.25 69606.45  3135.55  654.921   18.741  673.651   15.250 -18.72937 24.16144 
1 1 1    8    7   25 o  660.079   9.4775 66639.60  1909.44 65482.81  2574.75 68053.31  2846.34  653.714   12.904  666.182   13.998 -12.46838 19.03870 
1 1 1    8    7   26 o  331.323   6.1136 16770.29  618.250 18054.12  2128.89 16652.04  646.094  341.361   20.528  330.136   6.4119 11.22549 21.50608 
1 1 1    8    7   27 o  239.455   4.8055  8756.96  351.220  8644.49  1272.44  8766.23  365.416  236.172   17.782  239.575   4.9972 -3.403076 18.47116 
1 1 1    8    7   28 o  403.661   8.3370 24928.65  1027.18 24863.04  1265.47 25055.36  1758.63  402.868   10.291  403.721   14.272 -0.8529053 17.59527 
1 1 1    8    7   29 o  397.623   5.7916 24160.91  702.885 24071.41  1079.07 24226.87  926.371  396.522   8.9159  397.970   7.6264 -1.447754 11.73262 
1 1 1    8    7   30 o  187.581   3.7733  5373.24  216.034  5568.71  305.294  5177.19  305.743  190.907   5.2394  184.065   5.4421 6.842056 7.554320 
1 1 1    8    7   31 o  245.831   4.3790  9231.09  328.573  8871.28  435.488  9706.62  500.639  240.902   5.9227  251.945   6.5103 -11.04335 8.801288 
1 1 1    8    7   32 o  252.016   5.5370  9707.49  425.912 10034.71  577.263  9316.54  630.975  256.075   7.3857  246.645   8.3815 9.430115 11.17130 
1 1 1    8    7   33 o  221.578   3.8365  7498.54  259.465  7713.11  421.931  7368.05  329.032  224.589   6.1551  219.587   4.9092 5.001541 7.873118 
1 1 1    8    7   34 o  128.604   3.1127  2525.38  122.181  2322.26  159.456  2814.19  190.147  123.295   4.2372  135.716   4.5903 -12.42043 6.246968 
1 1 1    8    7   35 o  105.381   3.3615  1695.88  108.120  1574.06  204.562  1743.10  127.364  101.211   6.6591  106.826   3.9062 -5.614807 7.720200 
1 1 1    8    7   36 o  210.366   4.0256  6760.29  258.478  6792.16  375.395  6731.55  356.429  210.746   5.8359  209.824   5.5655 0.9227600 8.064284 
1 1 1    8    7   37 o  180.870   2.8873  4995.15  159.394  5058.29  230.469  4937.27  220.683  181.958   4.1498  179.774   4.0219 2.184021 5.778923 
1 1 1    8    7   38 o  242.086   3.2726  8950.24  241.810  8537.61  380.341  9230.18  313.275  236.306   5.2733  245.788   4.1759 -9.481934 6.726475 
1 1 1    8    7   39 o  252.119   3.8762  9710.52  298.286  9718.45  654.669  9708.44  335.089  251.728   8.5206  252.058   4.3555 -0.3296204 9.569332 
1 1 1    8    7   40 o  344.322   5.4475 18130.69  572.508 18113.39  710.793 18162.64  965.989  343.964   6.7704  343.968   9.2010 -0.3662109E-02 11.42354 
1 1 1    8    7   41 o  284.146   9.2598 12396.48  803.084 12325.34  1121.85 12471.24  1150.15  282.501   13.011  284.102   13.264 -1.601074 18.57949 
1 1 1    8    7   42 o  173.380   4.1205  4593.16  218.055  4993.56  390.203  4411.35  262.943  180.566   7.0801  169.861   5.0717 10.70525 8.709141 
1 1 1    8    7   43 f  139.436   3.0421  2969.14  129.471  3035.29  168.766  2874.51  201.839  140.950   3.9229  137.127   4.8224 3.822769 6.216461 
1 1 1    8    7   44 o  366.339   6.3783 20542.97  713.185 21137.35  1056.91 20046.08  966.358  370.963   9.3344  361.399   8.7606 9.564453 12.80156 
1 1 1    8    7   45 o  141.960   3.3235  3078.13  144.005  3233.89  408.094  3055.97  153.905  144.797   9.2828  141.439   3.5651 3.358047 9.943829 
1 1 1    8    7   46 o  148.334   3.2044  3360.68  145.079  3533.72  206.475  3191.94  203.895  152.046   4.4491  144.497   4.6231 7.549164 6.416207 
1 1 1    8    7   47 o   58.885   3.5346  531.634   63.234  558.079   81.546  491.752  100.144   60.256   4.4657   56.375   5.9078 3.881012 7.405721 
1 1 1    8    7   48 o  132.520   2.7355  2681.93  110.646  2709.47  167.270  2660.51  147.535  133.141   4.1161  131.954   3.6632 1.186966 5.510106 
1 1 1    8    7   49 o  189.588   3.6057  5492.47  208.649  5733.13  360.240  5370.98  255.952  193.467   6.1005  187.415   4.4744 6.051712 7.565517 
1 1 1    8    7   50 o  250.925   6.0171  9646.18  460.834 10169.07  978.833  9497.27  522.346  255.993   12.527  248.833   6.8775 7.159592 14.29118 
1 1 1    8    7   51 o  119.111   2.7609  2167.11  100.376  2348.88  146.592  2006.65  137.727  123.952   3.8747  114.564   3.9387 9.388451 5.525107 
1 1 1    8    7   52 o   89.640   3.4519  1228.18   94.444  1397.23  157.070  1132.44  118.198   95.351   5.4194   85.910   4.5236 9.441048 7.059204 
1 1 1    8    7   53 o  138.320   2.4465  2922.33  103.287  2897.43  225.847  2928.91  116.145  137.501   5.3813  138.460   2.7483 -0.9581146 6.042504 
1 1 1    8    7   54 o  170.570   4.4813  4454.63  233.304  4431.27  531.603  4460.20  259.644  168.625   10.379  170.611   4.9860 -1.985916 11.51471 
1 1 1    8    7   55 o  225.145   5.3692  7777.40  368.971  8678.66  808.304  7540.18  414.698  235.719   11.235  221.505   6.1338 14.21396 12.80014 
1 1 1    8    7   56 o  173.916   4.0866  4632.40  216.929   0.0000   0.0000  4632.40  216.929  ?   ?   173.916   4.0866 0.000000 4.086594 
1 1 1    8    7   57 o  123.216   2.9675  2321.89  111.601   0.0000   0.0000  2321.89  111.601  ?   ?   123.216   2.9675 0.000000 2.967463 
1 1 1    8    7   58 o   55.175   7.6685  480.527  125.652  511.472  137.269  320.565  312.096   56.840   8.1450   46.972   16.971 9.868317 18.82401 
1 1 1    8    7   59 o   82.860   4.5815  1057.50  115.419  971.112  250.459  1080.79  130.051   77.751   10.850   83.676   5.1167 -5.924828 11.99551 
1 1 1    8    8    0 o  510.522   21.512 40108.04  3338.52 40108.04  3338.52 40108.04  3338.52  510.522   21.512  510.522   21.512 0.000000 0.000000 
1 1 1    8    8    1 o  262.252   5.1626 10499.63  413.241 10419.69  584.452 10579.54  584.371  261.206   7.3308  263.203   7.2741 -1.997375 10.32728 
1 1 1    8    8    2 o  165.703   7.2919  4193.21  368.798  4281.13  451.617  4017.22  638.965  167.168   8.8831  161.540   13.071 5.627670 15.80402 
1 1 1    8    8    3 o  850.408   28.998 111573.80  7526.89 113843.70  9218.66 107034.60 13036.55  856.805   35.251  821.527   52.262 35.27753 63.03926 
1 1 1    8    8    4 o  154.454   3.2273  3641.18  152.143  3132.38  248.614  3945.80  192.370  143.236   5.6867  160.779   3.9200 -17.54356 6.906853 
1 1 1    8    8    5 o  427.905   9.3927 27975.96  1226.75 30262.28  2413.72 27179.70  1424.44  444.382   17.796  421.677   11.067 22.70483 20.95646 
1 1 1    8    8    6 o  484.356   12.089 35871.97  1787.27 36088.05  4272.69 35826.14  1967.69  482.729   29.135  483.947   13.321 -1.217224 32.03627 
1 1 1    8    8    7 f  536.541   15.869 44080.63  2598.85 60417.90  6212.76 40615.58  2861.21  623.937   32.738  514.748   18.211 109.1887 37.46187 
1 1 1    8    8    8 o  246.832   6.8555  9303.88  516.485 10759.86  1264.44  9012.31  565.843  264.624   15.726  242.915   7.6318 21.70944 17.47972 
1 1 1    8    8    9 o  331.960   7.8847 16831.58  798.893 18599.19  2087.92 16528.42  864.694  347.627   19.760  328.930   8.6128 18.69766 21.55517 
1 1 1    8    8   10 o  261.482   4.8165 10437.84  384.409 10465.02  423.316 10310.04  917.939  261.814   5.2973  259.679   11.581 2.135162 12.73538 
1 1 1    8    8   11 f  490.442   8.5910 36745.91  1286.03 36189.20  1820.44 37300.52  1817.00  486.454   12.261  493.884   12.054 -7.429932 17.19344 
1 1 1    8    8   12 o  522.181   11.411 41689.66  1818.65 40989.87  2113.85 43683.46  3568.03  517.602   13.380  533.205   21.924 -15.60327 25.68431 
1 1 1    8    8   13 o  500.678   7.5532 38287.72  1154.27 38032.16  1463.64 38708.14  1877.25  498.878   9.6122  503.086   12.225 -4.208282 15.55166 
1 1 1    8    8   14 o  613.932   10.896 57620.83  2041.73 59014.55  2373.02 53648.40  4006.28  621.141   12.517  590.782   22.218 30.35944 25.50085 
1 1 1    8    8   15 o  247.292   6.9533  9339.37  524.826  9339.37  524.826   0.0000   0.0000  247.292   6.9533  ?   ?  0.000000 6.953271 
1 1 1    8    8   16 o  303.300   5.6061 14045.55  518.983 14213.42  571.649 13258.38  1237.88  305.093   6.1388  294.326   13.779 10.76682 15.08502 
1 1 1    8    8   17 o  377.437   7.5788 21760.17  873.099 20667.73  1078.64 23836.08  1486.90  367.741   9.6099  394.740   12.341 -26.99908 15.64135 
1 1 1    8    8   18 o  778.701   13.562 92813.34  3223.37 89679.35  4755.62 95476.77  4384.07  764.022   20.393  788.862   18.208 -24.84033 27.33875 
1 1 1    8    8   19 o  237.567   4.0159  8615.44  291.196  8185.38  523.502  8808.12  350.410  231.487   7.4093  240.195   4.7796 -8.708786 8.817143 
1 1 1    8    8   20 o  869.722   12.684 115766.20  3366.98 117320.30  6035.52 115064.00  4056.92  872.832   22.655  866.511   15.339 6.320374 27.35964 
1 1 1    8    8   21 o  643.338   10.899 63304.53  2140.12 66956.10  3156.94 60199.41  2911.15  660.850   15.651  626.698   15.219 34.15228 21.83069 
1 1 1    8    8   22 o  279.854   5.1317 11958.67  438.336 12196.04  483.438 10861.61  1039.30  282.603   5.6046  266.339   12.785 16.26483 13.95920 
1 1 1    8    8   23 o  434.282   10.237 28850.21  1356.92 28787.83  3575.24 28860.71  1466.65  429.897   27.390  434.276   11.065 -4.378448 29.54046 
1 1 1    8    8   24 o  324.465   7.7170 16090.70  764.251 15411.37  2189.24 16184.97  815.560  314.897   22.935  325.382   8.2119 -10.48499 24.36105 
1 1 1    8    8   25 o  438.844   18.798 29685.67  2517.85   0.0000   0.0000 29685.67  2517.85  ?   ?   438.844   18.798 0.000000 18.79764 
1 1 1    8    8   26 o  869.850   14.661 116271.10  3892.51 113419.50  6320.63 118013.30  4940.55  854.039   24.247  874.560   18.508 -20.52118 30.50406 
1 1 1    8    8   27 o  183.791   2.9791  5156.73  167.117  4519.90  341.864  5356.70  191.567  171.964   6.5132  187.313   3.3507 -15.34831 7.324586 
1 1 1    8    8   28 o  252.585   4.6447  9744.95  358.078  9107.04  528.618 10285.85  486.766  244.036   7.0969  259.416   6.1476 -15.37912 9.389330 
1 1 1    8    8   29 o  211.658   4.2618  6842.35  275.325  6831.16  300.014  6902.06  693.053  211.469   4.6481  211.856   10.753 -0.3871613 11.71472 
1 1 1    8    8   30 o  488.733   7.6570 36554.19  1142.22 37187.51  1399.82 35292.40  1975.86  492.622   9.3098  478.820   13.520 13.80194 16.41506 
1 1 1    8    8   31 o  211.178   3.7758  6810.73  243.376  7120.95  300.114  6214.86  415.940  215.899   4.5543  201.570   6.7606 14.32874 8.151539 
1 1 1    8    8   32 o  361.803   6.9102 20027.30  763.094 19912.07  1080.59 20141.92  1077.77  360.299   9.8261  362.388   9.7439 -2.088837 13.83825 
1 1 1    8    8   33 o  345.236   4.8923 18213.57  515.517 18018.00  962.230 18292.31  610.531  342.804   9.1964  345.891   5.7830 -3.087067 10.86351 
1 1 1    8    8   34 o  431.665   6.4330 28505.18  847.574 28887.42  1354.00 28258.90  1086.86  433.757   10.227  429.456   8.2916 4.300232 13.16604 
1 1 1    8    8   35 o   86.887   2.5970  1152.58   68.871  1035.18  196.281  1169.06   73.547   81.820   7.9604   87.503   2.7537 -5.683685 8.423274 
1 1 1    8    8   36 f  260.780   3.3231 10385.76  264.509 10648.85  404.996 10190.07  349.298  263.943   5.0272  258.241   4.4315 5.702179 6.701568 
1 1 1    8    8   37 o  338.865   4.6264 17549.08  478.501 17827.17  692.680 17295.25  661.783  341.283   6.6497  336.182   6.4495 5.101074 9.263577 
1 1 1    8    8   38 o  342.042   6.0452 17898.89  631.114 18367.20  934.846 17506.71  855.486  345.996   8.8522  337.903   8.2947 8.092529 12.13114 
1 1 1    8    8   39 o  158.849   3.1765  3853.54  154.010  3740.41  262.191  3913.14  190.300  156.390   5.4928  160.044   3.8957 -3.653824 6.733997 
1 1 1    8    8   40 o   90.591   2.8178  1253.14   77.913  1248.12  124.937  1256.33   99.668   90.254   4.5500   90.690   3.6006 -0.4358063 5.802299 
1 1 1    8    8   41 o  369.170   5.7006 20847.22  642.333 20467.98  1112.29 21036.97  786.786  364.921   9.9863  370.636   6.9549 -5.714661 12.16948 
1 1 1    8    8   42 o   90.505   3.0002  1250.87   82.878  1121.98  262.872  1265.09   87.333   84.797   10.373   91.015   3.1437 -6.218208 10.83882 
1 1 1    8    8   43 o  120.648   4.4673  2224.67  164.504  2259.62  209.459  2168.41  265.749  121.538   5.6464  118.736   7.3692 2.802078 9.283694 
1 1 1    8    8   44 o  151.497   4.4391  3507.93  205.266  4547.30  462.772  3253.36  229.029  171.878   8.8513  145.859   5.1445 26.01952 10.23769 
1 1 1    8    8   45 o  238.342   3.7815  8679.26  275.091  9744.11  430.232  7942.84  357.784  252.369   5.5853  227.895   5.1436 24.47395 7.592947 
1 1 1    8    8   46 o  130.651   2.7571  2606.68  109.947  2560.64  150.194  2659.84  161.386  129.454   3.8012  131.929   4.0078 -2.474777 5.523738 
1 1 1    8    8   47 o  272.137   4.3443 11321.31  360.845 11349.18  441.675 11265.38  625.759  272.357   5.3131  270.998   7.5653 1.359131 9.244573 
1 1 1    8    8   48 o   63.025   2.7089  606.625   52.110  740.386   90.263  539.758   63.819   69.460   4.2783   59.330   3.5403 10.13013 5.553203 
1 1 1    8    8   49 o  109.451   3.0075  1829.93  100.470  1955.04  423.016  1822.45  103.430  111.582   12.644  109.224   3.1025 2.358231 13.01894 
1 1 1    8    8   50 o  339.198   6.5342 17643.69  676.491 17422.79  1003.74 17827.54  915.713  336.064   9.7855  340.289   8.8165 -4.225006 13.17138 
1 1 1    8    8   51 o   92.735   3.0623  1313.95   86.677  1332.07  152.027  1305.22  105.504   93.106   5.3725   92.400   3.7410 0.7062225 6.546618 
1 1 1    8    8   52 o  136.472   3.2364  2846.44  134.811  3440.89  428.897  2781.27  142.008  148.943   9.4838  134.888   3.4492 14.05588 10.09153 
1 1 1    8    8   53 o  122.598   3.0908  2297.17  115.657  2478.97  228.123  2234.27  134.181  127.111   5.8799  120.873   3.6370 6.237602 6.913815 
1 1 1    8    8   54 f   38.807   4.0957  233.053   47.780   0.0000   0.0000  233.053   47.780  ?   ?    38.807   4.0957 0.000000 4.095668 
1 1 1    8    8   55 o   88.570   2.8380  1199.11   76.722  1484.65  170.817  1126.95   85.871   98.145   5.7271   85.840   3.2775 12.30462 6.598626 
1 1 1    8    8   56 o   92.618   4.2715  1314.58  120.753  1736.14  611.811  1297.49  123.176  100.422   20.650   92.004   4.3863 8.418716 21.11074 
1 1 1    8    8   57 o   40.514   5.4823  256.909   66.051  101.656  176.680  282.132   71.215   31.829   12.481   42.461   5.6340 -10.63208 13.69336 
1 1 1    8    8   58 o   81.944   5.4125  1037.72  134.611  1037.72  134.611   0.0000   0.0000   81.944   5.4125  ?   ?  0.000000 5.412532 
1 1 1    8    9    0 o  583.341   15.852 52136.51  2817.81 52136.51  2817.81 52136.51  2817.81  583.341   15.852  583.341   15.852 0.000000 0.000000 
1 1 1    8    9    1 o  625.258   14.647 59836.77  2795.27 62810.05  5123.06 58576.36  3335.53  638.549   26.286  618.228   17.677 20.32104 31.67643 
1 1 1    8    9    2 o  300.417   7.1755 13782.86  657.949 13641.51  712.709 14598.13  1711.61  298.853   7.8134  308.047   18.286 -9.194336 19.88542 
1 1 1    8    9    3 o  575.625   17.124 50769.06  3008.61 51842.98  4255.19 49695.51  4254.44  580.565   24.013  568.317   24.526 12.24719 34.32469 
1 1 1    8    9    4 o  460.527   10.870 32419.06  1527.99 31458.47  1774.93 35168.92  3003.07  453.510   12.823  478.667   20.555 -25.15652 24.22651 
1 1 1    8    9    5 o  390.417   8.9544 23287.54  1067.04 23205.07  2768.17 23301.93  1156.41  387.773   23.499  390.500   9.7023 -2.727509 25.42336 
1 1 1    8    9    6 o  546.581   12.817 45696.55  2138.30 54317.68  5543.41 44189.56  2317.67  591.945   30.788  537.361   14.131 54.58417 33.87586 
1 1 1    8    9    7 f  616.853   13.055 58208.11  2457.88 60127.12  2933.31 53685.14  4503.31  626.656   15.336  590.538   24.984 36.11816 29.31568 
1 1 1    8    9    8 o  502.844   13.749 38691.01  2110.14 38691.01  2110.14   0.0000   0.0000  502.844   13.749  ?   ?  0.000000 13.74869 
1 1 1    8    9    9 o  487.545   9.6221 36323.66  1431.87 36323.66  1431.87   0.0000   0.0000  487.545   9.6221  ?   ?  0.000000 9.622112 
1 1 1    8    9   10 o  440.313   8.1822 29616.12  1099.64 29839.10  1487.25 29347.22  1633.23  441.793   11.029  438.050   12.215 3.743347 16.45785 
1 1 1    8    9   11 o  366.360   7.2281 20499.12  808.254 20309.31  849.878 22295.73  2614.71  364.644   7.6361  380.145   22.637 -15.50024 23.89070 
1 1 1    8    9   12 o  694.156   14.641 73769.29  3101.99 73225.05  3604.93 75321.77  6088.61  691.195   17.088  698.331   28.565 -7.135986 33.28613 
1 1 1    8    9   13 o  528.875   9.3514 42742.83  1509.55 42947.86  2137.51 42538.82  2132.14  529.795   13.219  527.263   13.249 2.532104 18.71514 
1 1 1    8    9   14 o  610.035   11.400 56906.04  2122.71 56702.38  2232.79 58819.79  6844.63  608.875   12.014  613.499   36.721 -4.623352 38.63694 
1 1 1    8    9   15 o  570.054   24.013 50040.53  4178.05 50040.53  4178.05   0.0000   0.0000  570.054   24.013  ?   ?  0.000000 24.01269 
1 1 1    8    9   16 o  553.845   10.182 46890.98  1721.22 46834.06  1810.05 47428.63  5562.64  553.459   10.715  551.650   33.191 1.809204 34.87812 
1 1 1    8    9   17 o  686.995   10.690 72164.52  2241.61 71789.46  2745.92 72913.80  3881.15  684.874   13.136  689.252   18.449 -4.377747 22.64744 
1 1 1    8    9   18 f  300.844   7.2577 13825.18  666.439 14896.21  1788.58 13652.51  718.154  310.882   18.940  298.935   7.8709 11.94656 20.51004 
1 1 1    8    9   19 o  395.751   11.808 23963.45  1426.26 23318.77  2888.96 24171.22  1640.06  387.993   24.521  397.303   13.525 -9.309998 28.00354 
1 1 1    8    9   20 o  579.052   8.7325 51247.93  1543.39 50227.34  2020.18 52678.76  2391.98  572.933   11.552  586.487   13.362 -13.55402 17.66372 
1 1 1    8    9   21 o  635.689   9.4362 61788.36  1830.87 61571.44  2396.43 62092.50  2837.61  634.136   12.381  636.404   14.608 -2.268188 19.14945 
1 1 1    8    9   22 o  248.830   4.1310  9452.96  313.742  9398.77  412.513  9527.31  483.226  248.079   5.4479  249.738   6.3394 -1.659500 8.358707 
1 1 1    8    9   23 o  473.242   9.4914 34260.08  1370.99 34616.27  1694.33 33584.61  2333.26  475.406   11.677  467.461   16.353 7.944702 20.09392 
1 1 1    8    9   24 o  429.048   18.866 28391.65  2470.63   0.0000   0.0000 28391.65  2470.63  ?   ?   429.048   18.866 0.000000 18.86619 
1 1 1    8    9   25 o  329.191   8.1715 16575.02  821.048   0.0000   0.0000 16575.02  821.048  ?   ?   329.191   8.1715 0.000000 8.171534 
1 1 1    8    9   26 o  283.496   8.0638 12295.15  697.760   0.0000   0.0000 12295.15  697.760  ?   ?   283.496   8.0638 0.000000 8.063839 
1 1 1    8    9   27 o  308.927   7.5837 14599.22  715.083 14385.41  849.897 15117.44  1323.13  306.498   9.0849  313.499   13.828 -7.000916 16.54506 
1 1 1    8    9   28 o  303.697   5.1671 14092.52  478.970 13972.59  585.540 14335.05  832.667  302.310   6.3458  305.936   8.9171 -3.626709 10.94458 
1 1 1    8    9   29 o   47.208   4.5122  343.544   64.224  376.521  122.748  331.114   75.363   48.881   8.5380   46.228   5.4456 2.652905 10.12681 
1 1 1    8    9   30 o  198.063   3.5976  5990.69  217.485  5994.99  278.186  5983.92  348.795  198.093   4.6010  197.849   5.7759 0.2438049 7.384443 
1 1 1    8    9   31 o  362.423   8.1163 20115.71  897.826 19862.14  1149.27 20512.81  1438.21  359.716   10.468  365.010   12.909 -5.294769 16.61982 
1 1 1    8    9   32 o  164.241   4.5136  4121.37  226.267  4173.28  274.128  4010.40  400.801  165.230   5.4356  161.604   8.1520 3.625626 9.797988 
1 1 1    8    9   33 o   87.219   3.7392  1161.88   99.541  930.578  139.098  1404.66  142.508   77.786   5.9027   95.747   4.8927 -17.96056 7.666882 
1 1 1    8    9   34 o  154.605   3.2375  3650.15  152.773  3623.69  217.579  3675.88  214.561  153.992   4.6292  155.101   4.5323 -1.109116 6.478488 
1 1 1    8    9   35 o  192.857   3.6057  5680.91  212.245  5677.95  433.072  5681.85  243.492  192.554   7.3687  192.848   4.1367 -0.2939453 8.450433 
1 1 1    8    9   36 o  140.526   2.6736  3015.12  114.677  3094.32  162.748  2937.02  161.614  142.327   3.7464  138.660   3.8187 3.667206 5.349533 
1 1 1    8    9   37 o   73.935   3.4174  834.896   77.119  845.030   88.166  801.885  159.118   74.271   3.9029   71.985   7.3450 2.286285 8.317529 
1 1 1    8    9   38 o  159.264   3.0815  3873.58  149.797  3992.89  475.529  3860.44  157.833  160.932   9.7266  158.988   3.2525 1.944275 10.25601 
1 1 1    8    9   39 o  170.007   3.3336  4414.31  172.981  4621.19  308.133  4319.11  209.027  173.805   5.8084  168.131   4.0732 5.674377 7.094275 
1 1 1    8    9   40 o  396.136   6.7845 24027.65  820.318 23632.50  1209.40 24364.35  1116.39  392.078   10.106  398.356   9.1818 -6.278229 13.65415 
1 1 1    8    9   41 o   83.087   3.7630  1054.62   95.430  1146.50  130.947  950.559  139.362   86.454   4.9835   78.608   5.8503 7.845734 7.685200 
1 1 1    8    9   42 o  419.582   7.0127 26964.80  898.083 28235.09  1270.33 25695.52  1269.83  428.640   9.7097  408.769   10.178 19.87054 14.06645 
1 1 1    8    9   43 o  180.696   4.5207  4990.67  249.327  5484.04  495.793  4823.66  288.455  189.033   8.5930  177.593   5.3215 11.43970 10.10734 
1 1 1    8    9   44 o   27.969   5.2729  123.579   43.364  199.882  114.398  110.776   46.861   35.590   10.076   26.384   5.9597 9.206264 11.70629 
1 1 1    8    9   45 o  242.898   3.5154  9013.28  260.625  9230.87  361.897  8778.84  375.647  245.700   4.8257  239.578   5.1371 6.122391 7.048202 
1 1 1    8    9   46 o  147.966   2.9892  3343.91  135.000  3432.82  211.189  3282.47  175.551  149.838   4.6178  146.558   3.9244 3.279465 6.060097 
1 1 1    8    9   47 o   68.017   3.4972  708.706   72.357  730.095   98.906  684.076  106.133   68.932   4.7295   66.658   5.2592 2.274132 7.073055 
1 1 1    8    9   48 o   72.300   2.7785  798.373   61.315  713.134  119.037  829.155   71.534   67.998   5.7906   73.672   3.1812 -5.673546 6.606925 
1 1 1    8    9   49 o  164.001   2.9119  4108.54  145.761  4353.73  215.721  3902.56  197.727  168.739   4.1885  159.767   4.0547 8.972336 5.829635 
1 1 1    8    9   50 o  186.500   3.8203  5317.56  217.465  5285.43  272.240  5374.22  361.478  185.841   4.7995  187.204   6.3263 -1.362671 7.940845 
1 1 1    8    9   51 o  148.581   3.9242  3376.00  177.963  3472.05  716.570  3369.69  183.719  147.488   16.184  148.431   4.0552 -0.9430389 16.68410 
1 1 1    8    9   52 o  156.200   4.5002  3734.74  214.551  3730.62  244.615  3748.47  446.685  156.043   5.1360  155.413   9.4617 0.6298523 10.76577 
1 1 1    8    9   53 o  231.505   3.5281  8196.21  249.301 10107.92  509.433  7594.23  285.870  256.447   6.5084  222.743   4.2048 33.70370 7.748514 
1 1 1    8    9   54 o   89.055   2.8680  1212.25   77.958  1670.43  170.151  1090.51   87.705  104.198   5.3683   84.438   3.4030 19.75917 6.356057 
1 1 1    8    9   55 o  111.801   3.3403  1912.22  113.984  2353.38  179.946  1616.59  147.304  123.874   4.7593  102.674   4.7004 21.19977 6.689185 
1 1 1    8    9   56 o  153.573   3.0902  3607.78  144.852  4040.14  256.166  3404.55  175.627  162.171   5.1752  149.087   3.8595 13.08426 6.455928 
1 1 1    8    9   57 f   27.327   10.308   87.837  117.311   75.193  152.218  106.331  184.097   28.961   11.512   32.436   12.733 -3.475256 17.16542 
1 1 1    8    9   58 o   88.183   10.231  1239.01  270.254  1239.01  270.254   0.0000   0.0000   88.183   10.231  ?   ?  0.000000 10.23099 
1 1 1    8   10    0 o  295.781   8.5874 13392.22  773.786 13392.22  773.786 13392.22  773.786  295.781   8.5874  295.781   8.5874 0.000000 0.000000 
1 1 1    8   10    1 o  228.033   6.8462  7940.97  476.499   0.0000   0.0000  7940.97  476.499  ?   ?   228.033   6.8462 0.000000 6.846161 
1 1 1    8   10    2 o  656.914   15.328 66078.93  3073.28 69766.63  7964.39 65433.76  3331.29  667.726   39.251  653.494   16.701 14.23114 42.65661 
1 1 1    8   10    3 o  556.182   18.630 47443.91  3162.55 42419.08  5475.21 49959.75  3874.20  521.666   34.583  570.133   22.263 -48.46741 41.12940 
1 1 1    8   10    4 o  245.844   9.2205  9235.07  691.880 10921.81  1199.94  8395.02  846.821  266.690   14.799  234.001   11.896 32.68927 18.98766 
1 1 1    8   10    5 o  235.416   8.1998  8466.07  589.193 13129.90  1028.41  6187.24  718.868  293.036   11.498  200.806   11.780 92.23041 16.46161 
1 1 1    8   10    6 o  555.633   18.653 47354.80  3163.47 51400.18  5484.60 45337.98  3872.57  575.417   31.346  542.891   23.371 32.52612 39.09950 
1 1 1    8   10    7 o  538.872   12.721 44421.20  2092.36 43034.10  2496.68 47694.12  3835.09  530.095   15.431  556.954   22.560 -26.85913 27.33254 
1 1 1    8   10    8 o  336.715   7.5561 17317.29  776.564 16128.52  2030.50 17520.96  840.459  323.418   20.678  338.667   8.1307 -15.24863 22.21869 
1 1 1    8   10    9 o  747.473   13.469 85498.34  3072.97 80176.86  4571.08 89886.48  4150.91  722.498   20.728  765.648   17.762 -43.14966 27.29765 
1 1 1    8   10   10 o   97.188   3.0101  1441.68   89.290  1527.34  134.091  1373.43  119.685  100.026   4.3921   94.854   4.1340 5.172127 6.031596 
1 1 1    8   10   11 o  236.991   6.3967  8576.81  462.707  8469.78  502.086  9179.92  1191.89  235.494   6.9852  244.251   16.077 -8.757324 17.52933 
1 1 1    8   10   12 o  423.553   9.8157 27419.42  1268.96 27437.10  1375.56 27318.43  3287.48  423.634   10.638  420.148   25.760 3.486115 27.87024 
1 1 1    8   10   13 o  631.677   16.422 61157.51  3166.15 61157.51  3166.15   0.0000   0.0000  631.677   16.422  ?   ?  0.000000 16.42177 
1 1 1    8   10   14 o  344.152   6.8927 18089.52  724.030 18089.52  724.030   0.0000   0.0000  344.152   6.8927  ?   ?  0.000000 6.892704 
1 1 1    8   10   15 o  237.941   6.3003  8646.06  457.560 10174.92  879.820  8079.25  535.704  257.935   11.175  229.973   7.6319 27.96199 13.53281 
1 1 1    8   10   16 o  622.787   9.6237 59290.05  1829.37 58963.15  2318.96 59828.69  2976.73  620.753   12.239  624.772   15.610 -4.019104 19.83610 
1 1 1    8   10   17 o  213.530   5.4367  6962.16  354.333  7263.72  453.318  6488.56  568.090  218.071   6.8106  206.039   9.0334 12.03195 11.31313 
1 1 1    8   10   18 o  297.469   6.0420 13513.99  548.580 12143.55  857.625 14463.00  713.677  281.807   9.9708  307.671   7.5997 -25.86450 12.53683 
1 1 1    8   10   19 o  807.432   17.228 100122.90  4245.71 102328.60 11814.23 99795.83  4549.65  797.650   48.760  805.725   18.500 -8.074402 52.15191 
1 1 1    8   10   20 o  412.889   8.2337 26057.72  1037.64 26567.63  1281.97 25089.02  1766.97  416.746   10.078  404.499   14.312 12.24658 17.50431 
1 1 1    8   10   21 o  692.817   11.046 73483.49  2335.76 71613.03  2960.79 76566.02  3800.91  683.244   14.198  705.481   17.652 -22.23718 22.65286 
1 1 1    8   10   22 o  417.786   9.8668 26711.94  1258.20 30804.25  3286.16 26008.97  1361.98  444.898   24.292  412.135   10.827 32.76309 26.59529 
1 1 1    8   10   23 o  206.131   5.6390  6491.07  354.784  6422.02  422.176  6657.05  654.567  204.987   6.7476  208.503   10.285 -3.516525 12.30126 
1 1 1    8   10   24 o  226.979   4.8209  7868.98  333.990  8391.58  498.875  7444.48  449.622  234.289   6.9763  220.689   6.6750 13.60081 9.655240 
1 1 1    8   10   25 o  238.055   4.8210  8656.40  350.289  8577.27  384.211  9046.11  852.629  236.941   5.3127  242.835   11.504 -5.894089 12.67106 
1 1 1    8   10   26 o  572.284   11.288 50255.50  1971.66 52297.16  2521.30 47041.59  3163.37  582.878   14.172  551.022   18.809 31.85681 23.55037 
1 1 1    8   10   27 o  336.856   6.5345 17351.37  671.849 17884.69  1000.00 16912.58  907.058  341.605   9.5909  332.283   8.9435 9.321625 13.11385 
1 1 1    8   10   28 o  359.137   9.7039 19774.80  1063.72 19503.16  1171.99 21044.53  2533.83  356.471   10.772  366.048   22.792 -9.576324 25.20924 
1 1 1    8   10   29 o  320.306   6.3939 15690.26  625.096 15921.40  934.956 15503.43  840.594  322.246   9.5057  318.114   8.6574 4.132202 12.85726 
1 1 1    8   10   30 o   87.473   3.0053  1168.27   80.237  1194.28  167.689  1160.55   91.376   88.147   6.2737   87.176   3.4341 0.9708176 7.152092 
1 1 1    8   10   31 o  181.906   3.0016  5052.44  166.652  5309.53  355.092  4979.81  188.728  186.319   6.2441  180.580   3.4241 5.738861 7.121304 
1 1 1    8   10   32 o  216.830   4.4373  7183.39  293.665  7797.72  1033.83  7129.47  306.281  224.020   15.210  216.002   4.6456 8.017822 15.90360 
1 1 1    8   10   33 o  111.691   3.1773  1905.01  108.315  1904.16  152.859  1905.87  153.505  111.632   4.4863  111.682   4.5032 -0.4948425E-01 6.356555 
1 1 1    8   10   34 o  154.275   3.0721  3634.47  144.661  4111.65  250.452  3395.56  177.210  164.008   5.0031  149.091   3.8942 14.91722 6.340054 
1 1 1    8   10   35 o  219.389   4.6866  7356.16  313.829  8097.09  618.599  7099.38  364.174  229.745   8.8216  215.463   5.5376 14.28192 10.41562 
1 1 1    8   10   36 o  339.962   4.6106 17663.77  478.418 18968.48  697.539 16504.84  657.414  352.041   6.4917  328.375   6.5592 23.66638 9.228516 
1 1 1    8   10   37 o  182.525   3.4741  5088.63  193.546  4868.83  352.954  5183.15  231.447  178.352   6.4837  184.181   4.1171 -5.829102 7.680421 
1 1 1    8   10   38 o  231.884   5.8607  8226.12  414.802  9589.42  1229.72  8051.08  440.626  247.802   16.351  229.361   6.2941 18.44113 17.52012 
1 1 1    8   10   39 o  302.741   5.2112 14014.66  481.535 13970.81  678.592 14059.13  683.419  301.972   7.3625  302.921   7.3917 -0.9482117 10.43277 
1 1 1    8   10   40 o  188.541   3.0904  5428.79  177.846  5757.72  288.475  5227.12  225.879  194.069   4.8701  184.963   4.0011 9.106262 6.302856 
1 1 1    8   10   41 o  310.388   3.9973 14720.10  378.695 15073.39  582.701 14461.79  498.267  313.845   6.0829  307.513   5.3086 6.332550 8.073633 
1 1 1    8   10   42 o  319.339   6.3258 15610.50  616.577 16679.96  809.276 14130.75  951.935  329.787   8.0398  303.067   10.291 26.72021 13.05911 
1 1 1    8   10   43 o  116.158   2.8156  2060.45   99.826  2366.19  182.563  1930.04  119.229  124.404   4.8080  112.404   3.4752 11.99972 5.932436 
1 1 1    8   10   44 o  361.141   5.2186 19949.21  575.236 21228.73  910.774 19100.08  741.951  371.969   8.0221  353.076   6.8848 18.89340 10.57138 
1 1 1    8   10   45 o  229.681   3.1168  8057.66  218.496  8598.57  336.889  7664.92  287.060  237.140   4.6544  223.935   4.1998 13.20471 6.269140 
1 1 1    8   10   46 o  218.345   3.2942  7283.11  219.539  8010.96  381.453  6922.61  268.458  228.792   5.4624  212.810   4.1330 15.98137 6.849788 
1 1 1    8   10   47 o  204.914   3.4461  6415.81  215.536  6631.15  349.967  6284.21  273.577  208.131   5.5090  202.723   4.4214 5.407547 7.063847 
1 1 1    8   10   48 o  110.741   2.3638  1872.69   79.897  1875.47  141.798  1871.40   96.711  110.750   4.1948  110.687   2.8626 0.6365967E-01 5.078458 
1 1 1    8   10   49 o  171.321   3.8057  4487.03  199.003  4813.33  273.720  4121.18  289.836  177.325   5.0573  164.003   5.7901 13.32146 7.687733 
1 1 1    8   10   50 o  113.892   3.5415  1982.82  123.112  1899.17  196.311  2037.05  158.056  111.160   5.8061  115.382   4.4880 -4.221504 7.338519 
1 1 1    8   10   51 o   60.816   4.1980  568.564   77.448  573.454  130.669  565.916   96.158   60.655   7.1986   60.548   5.2552 0.1069069 8.912785 
1 1 1    8   10   52 o  134.137   3.6657  2751.92  150.081  2806.06  240.138  2717.22  192.253  135.226   5.8182  133.192   4.7291 2.033813 7.497677 
1 1 1    8   10   53 o   29.170   10.338  115.674  115.262  165.800  164.824   67.701  161.246   34.762   12.358   29.384   11.791 5.377859 17.08109 
1 1 1    8   10   54 o   34.657   5.5276  188.992   56.508  212.208  188.581  186.701   59.230   38.251   13.248   34.384   5.8535 3.867153 14.48369 
1 1 1    8   10   55 o  102.759   5.2047  1625.99  162.709  1635.21  181.692  1588.63  365.617  102.939   5.8065   99.579   12.290 3.360252 13.59279 
1 1 1    8   10   56 o  129.166   4.4738  2559.77  176.375  2580.01  191.868  2449.42  448.024  129.615   4.8499  123.814   12.006 5.801109 12.94876 
1 1 1    8   10   57 o   53.757   4.0749  445.690   66.363  545.032  133.596  413.147   76.464   58.794   7.6242   51.618   4.9126 7.175438 9.069798 
1 1 1    8   11    0 f  743.035   31.043 85309.12  7012.41 85309.12  7012.41 85309.12  7012.41  743.035   31.043  743.035   31.043 0.000000 0.000000 
1 1 1    8   11    1 o  554.589   18.938 47193.14  3205.68 48210.39  5553.49 46684.81  3925.76  556.611   32.834  550.822   23.350 5.788757 40.29042 
1 1 1    8   11    2 o  108.390   7.8217  1803.91  257.028   0.0000   0.0000  1803.91  257.028  ?   ?   108.390   7.8217 0.000000 7.821715 
1 1 1    8   11    3 o  847.315   20.697 110279.20  5352.54   0.0000   0.0000 110279.20  5352.54  ?   ?   847.315   20.697 0.000000 20.69653 
1 1 1    8   11    4 o  467.702   16.030 33513.93  2288.34 36470.07  3964.49 32036.95  2802.28  485.466   26.860  456.770   20.100 28.69617 33.54790 
1 1 1    8   11    5 o  597.945   10.526 54657.11  1921.11 54928.03  2857.68 54433.70  2595.00  598.812   15.635  596.299   14.258 2.512878 21.16014 
1 1 1    8   11    6 o  242.006   5.5656  8942.26  411.108  9600.62  489.527  7366.80  757.264  250.737   6.3965  219.197   11.358 31.54037 13.03498 
1 1 1    8   11    7 o  157.539   7.0131  3790.49  337.223  3966.42  602.867  3710.38  406.821  160.547   12.399  155.598   8.5994 4.948654 15.08912 
1 1 1    8   11    8 o  213.392   4.7023  6951.75  306.269  5739.06  455.872  7949.40  413.484  193.831   7.7055  228.167   5.9373 -34.33606 9.727623 
1 1 1    8   11    9 o  371.004   7.2417 21023.67  820.036 20480.23  1220.14 21471.36  1107.45  365.981   10.923  374.809   9.6805 -8.827850 14.59516 
1 1 1    8   11   10 o  664.407   15.317 67626.75  3106.11 77600.13  8059.20 65886.82  3366.17  704.035   37.641  655.546   16.823 48.48914 41.22916 
1 1 1    8   11   11 o  418.318   6.3959 26723.76  816.635 26977.35  1036.17 26307.99  1326.75  420.213   8.0788  414.812   10.479 5.400238 13.23165 
1 1 1    8   11   12 o  413.292   9.5308 26108.28  1202.27 26176.66  1304.03 25720.71  3104.49  413.777   10.325  407.589   25.076 6.187134 27.11884 
1 1 1    8   11   13 o  548.405   14.618 46071.89  2446.91 43986.80  2653.12 57942.52  6330.40  535.616   16.229  608.978   34.196 -73.36249 37.85143 
1 1 1    8   11   14 o  603.890   8.9668 55737.46  1652.76 56076.15  2095.52 55180.00  2688.46  605.453   11.340  600.115   14.677 5.337646 18.54761 
1 1 1    8   11   15 o  176.953   5.2228  4781.14  282.081  5630.04  575.768  4513.03  323.574  191.637   9.8772  171.902   6.1670 19.73476 11.64433 
1 1 1    8   11   16 o  645.034   16.271 63840.61  3203.42 63312.24  3527.32 66327.73  7652.84  641.972   18.002  648.269   38.856 -6.296692 42.82343 
1 1 1    8   11   17 o  654.003   12.495 65498.48  2494.25 65455.57  3530.29 65541.25  3524.51  652.664   17.722  653.101   17.681 -0.4373169 25.03332 
1 1 1    8   11   18 o  514.139   9.1085 40420.55  1429.36 40286.93  1573.79 41049.93  3415.66  513.179   10.048  515.764   21.697 -2.584900 23.91085 
1 1 1    8   11   19 o  134.112   3.5005  2745.75  143.291  2649.56  209.130  2830.88  196.726  131.716   5.2019  136.157   4.7337 -4.440643 7.033334 
1 1 1    8   11   20 f  340.406   8.2989 17719.02  862.252 17338.54  1028.20 18620.68  1582.85  336.581   10.009  348.199   14.893 -11.61771 17.94395 
1 1 1    8   11   21 o  210.928   4.3591  6793.87  280.637  7010.38  437.779  6642.82  365.649  214.175   6.6968  208.524   5.7450 5.651245 8.823424 
1 1 1    8   11   22 o   57.682   3.3048  509.637   57.942  489.596   94.265  521.806   73.458   56.337   5.5542   58.309   4.1547 -1.971264 6.936211 
1 1 1    8   11   23 o  153.958   4.5987  3620.32  216.100  3429.15  275.081  3928.49  349.253  149.795   6.0165  160.285   7.1389 -10.49025 9.336071 
1 1 1    8   11   24 o  227.034   3.9246  7871.36  271.958  8147.87  347.011  7431.13  437.853  230.944   4.9229  220.469   6.5067 10.47528 8.159185 
1 1 1    8   11   25 o  270.773   7.6068 11218.55  628.669 11218.55  628.669   0.0000   0.0000  270.773   7.6068  ?   ?  0.000000 7.606750 
1 1 1    8   11   26 o   45.805   7.8596  330.181  105.927  342.108  123.498  296.981  206.041   46.468   9.0328   44.107   13.786 2.360592 16.48191 
1 1 1    8   11   27 o  222.330   4.6878  7552.06  318.118  7819.85  437.977  7253.03  462.823  226.133   6.3456  217.738   6.9641 8.395035 9.421511 
1 1 1    8   11   28 o  194.638   4.9733  5789.11  295.456  6133.34  357.633  5049.10  524.358  200.291   5.8500  181.212   9.5136 19.07935 11.16834 
1 1 1    8   11   29 o   73.397   4.5408  826.228  101.226  790.903  155.084  852.449  133.613   71.528   7.2014   74.430   5.9306 -2.902336 9.329162 
1 1 1    8   11   30 o  277.885   6.6329 11814.61  562.580 11558.49  716.645 12225.92  908.161  274.626   8.5496  282.134   10.546 -7.508118 13.57628 
1 1 1    8   11   31 o  371.654   6.8831 21139.98  780.797 22456.46  1212.62 20207.62  1020.50  382.356   10.391  362.957   9.2117 19.39850 13.88593 
1 1 1    8   11   32 o  155.987   4.5870  3718.25  218.390  3944.75  684.362  3692.57  230.438  159.153   14.239  155.435   4.8572 3.717712 15.04426 
1 1 1    8   11   33 o  264.831   5.0285 10721.18  406.470 10798.46  447.434 10356.21  972.405  265.740   5.5164  259.224   12.290 6.515839 13.47136 
1 1 1    8   11   34 o  195.066   3.0355  5810.59  180.732  5917.68  271.951  5725.88  241.872  196.780   4.5279  193.589   4.0934 3.190796 6.103901 
1 1 1    8   11   35 o  310.793   3.9531 14757.15  374.995 14996.36  607.075 14609.56  476.846  313.033   6.3538  309.129   5.0538 3.904114 8.118651 
1 1 1    8   11   36 f  285.306   5.3049 12447.32  461.964 12383.64  748.244 12486.54  587.253  284.109   8.6286  285.580   6.7372 -1.471527 10.94729 
1 1 1    8   11   37 o  124.340   4.7337  2363.24  179.652  2519.13  603.385  2348.08  188.186  126.368   16.002  123.930   4.9750 2.438545 16.75782 
1 1 1    8   11   38 o  105.536   4.2007  1701.95  135.312  1729.49  161.311  1636.57  248.553  106.359   4.9690  103.013   7.9671 3.345879 9.389647 
1 1 1    8   11   39 o  112.343   3.0034  1927.38  102.985  1698.77  167.303  2066.84  130.676  105.400   5.2005  116.317   3.6807 -10.91667 6.371267 
1 1 1    8   11   40 o  244.102   3.5918  9102.25  267.610  8886.41  476.609  9201.64  323.401  240.928   6.4812  245.378   4.3181 -4.449982 7.787937 
1 1 1    8   11   41 o  404.867   7.3939 25120.88  913.704 26719.84  2213.31 24792.41  1003.17  413.566   17.534  402.024   8.1754 11.54276 19.34621 
1 1 1    8   11   42 o  121.370   4.0016  2250.95  148.240  2205.41  303.750  2265.18  169.839  119.590   8.3744  121.729   4.5711 -2.139496 9.540749 
1 1 1    8   11   43 f   26.956   6.2204  115.712   50.139  112.806   87.904  117.113   61.043   27.650   9.0434   27.170   7.2328 0.4803085 11.58005 
1 1 1    8   11   44 o  256.241   3.6211 10032.04  283.212 10423.15  403.644  9652.79  397.473  261.044   5.0660  251.199   5.1841 9.845230 7.248418 
1 1 1    8   11   45 o   69.565   2.6526  739.028   56.323  962.968  222.995  723.768   58.211   78.546   9.4942   68.841   2.7704 9.704834 9.890122 
1 1 1    8   11   46 o  247.085   3.3303  9327.49  251.157  9844.38  390.386  8962.46  328.066  253.656   5.0423  242.097   4.4397 11.55901 6.718356 
1 1 1    8   11   47 o  123.420   2.6740  2326.48  100.733  2494.08  151.822  2194.67  134.637  127.733   3.8942  119.831   3.6811 7.901772 5.358631 
1 1 1    8   11   48 o  189.778   3.8370  5505.99  222.257  5525.55  515.812  5501.53  246.294  189.391   8.9231  189.664   4.2545 -0.2727203 9.885482 
1 1 1    8   11   49 o  215.921   4.5280  7133.97  298.414  7427.56  431.411  6864.63  413.219  220.024   6.4240  211.527   6.4003 8.497818 9.068127 
1 1 1    8   11   50 o  221.544   3.4807  7503.46  235.367  8061.76  480.440  7327.16  269.985  229.064   6.8717  218.860   4.0416 10.20383 7.972164 
1 1 1    8   11   51 o   66.930   3.2212  684.775   65.804  776.610  170.471  668.695   71.332   70.525   8.0644   66.032   3.5523 4.492188 8.812121 
1 1 1    8   11   52 o  118.346   4.4409  2145.07  160.412  2803.93  506.309  2071.55  169.124  133.098   12.614  116.269   4.7657 16.82940 13.48396 
1 1 1    8   11   53 o  197.730   4.4412  5990.98  268.035  8214.08  1053.15  5837.01  277.162  226.117   15.350  195.134   4.6535 30.98346 16.04025 
1 1 1    8   11   54 o   50.860   5.3135  401.609   81.267  400.686   90.739  405.349  182.688   50.686   5.9805   49.731   12.141 0.9555855 13.53431 
1 1 1    8   11   55 o   77.862   3.5299  928.209   83.888  986.995  134.879  891.124  107.129   79.908   5.5649   76.062   4.6366 3.846016 7.243351 
1 1 1    8   11   56 o   54.916   4.0985  465.017   68.203  498.449  116.253  447.470   84.220   56.360   6.9022   53.693   5.2044 2.667027 8.644466 
1 1 1    8   12    0 o  648.689   39.081 65699.16  7673.58 65699.16  7673.58 65699.16  7673.58  648.689   39.081  648.689   39.081 0.000000 0.000000 
1 1 1    8   12    1 o  504.134   17.202 38973.70  2646.90 45226.20  4585.62 35849.63  3241.39  540.264   27.904  482.771   21.998 57.49310 35.53171 
1 1 1    8   12    2 o  858.105   28.670 113886.30  7509.13 124462.70 13006.88 108599.00  9196.54  885.151   48.326  834.713   36.097 50.43799 60.31935 
1 1 1    8   12    3 o  531.775   9.7752 43224.05  1586.62 46040.35  2360.03 40901.42  2143.23  548.361   14.100  516.913   13.584 31.44812 19.57945 
1 1 1    8   12    4 o  199.675   5.2884  6087.43  322.302  6056.64  382.345  6163.04  599.102  199.150   6.2901  200.798   9.7751 -1.648514 11.62407 
1 1 1    8   12    5 o  322.147   7.5328 15852.91  740.674 16141.07  882.904 15168.34  1360.84  325.001   8.9004  314.736   14.166 10.26462 16.72993 
1 1 1    8   12    6 o  460.908   10.835 32484.69  1524.31 31995.49  1818.43 33640.81  2795.46  457.222   13.030  467.989   19.570 -10.76660 23.51151 
1 1 1    8   12    7 o  747.287   16.920 85643.77  3859.31 94596.10 10006.75 84079.52  4182.92  774.303   42.504  740.072   18.518 34.23029 46.36268 
1 1 1    8   12    8 o  173.546   7.2453  4600.62  383.786  5745.25  687.940  4083.41  462.435  193.442   11.707  163.186   9.3230 30.25624 14.96545 
1 1 1    8   12    9 o  337.573   8.5903 17413.97  885.103 16553.46  1055.40 19453.90  1624.99  329.019   10.509  356.321   14.941 -27.30206 18.26728 
1 1 1    8   12   10 o  787.127   18.924 95177.68  4546.38 95671.53  5005.96 92852.49 10862.21  788.629   20.797  763.459   46.840 25.17017 51.24956 
1 1 1    8   12   11 o  294.477   12.892 13275.84  1158.73 13903.50  1653.40 12670.03  1624.38  300.359   18.120  286.587   18.672 13.77179 26.01882 
1 1 1    8   12   12 o  188.810   4.6689  5442.84  269.066  5328.35  283.569  6477.01  852.251  186.808   4.9733  205.181   13.687 -18.37244 14.56268 
1 1 1    8   12   13 o  460.505   7.5488 32401.71  1061.03 32200.17  1345.71 32732.88  1724.99  458.903   9.6076  462.412   12.222 -3.508118 15.54615 
1 1 1    8   12   14 o  536.123   11.481 43991.42  1878.79 49911.55  3707.32 41945.56  2179.37  569.050   21.345  523.197   13.647 45.85278 25.33480 
1 1 1    8   12   15 o  230.255   6.7853  8099.77  476.865  7484.75  570.370  9528.01  869.183  221.276   8.4451  249.487   11.414 -28.21149 14.19873 
1 1 1    8   12   16 o  145.142   3.8283  3216.12  169.596  2768.67  273.520  3495.60  216.165  134.617   6.6569  151.303   4.6808 -16.68604 8.137853 
1 1 1    8   12   17 o  293.699   4.9389 13172.88  442.744 12770.79  543.651 13964.76  762.936  289.128   6.1605  302.216   8.2709 -13.08783 10.31307 
1 1 1    8   12   18 o  150.713   4.6254  3468.69  212.772  3533.12  248.654  3292.52  411.164  152.090   5.3565  146.406   9.2486 5.683533 10.68780 
1 1 1    8   12   19 o  378.009   8.3932 21856.95  968.381 21995.51  2709.15 21836.66  1036.89  375.481   23.762  377.769   8.9926 -2.287994 25.40623 
1 1 1    8   12   20 o  667.089   14.696 68437.69  2992.33 65828.30  3827.44 72540.12  4799.10  652.476   19.219  682.999   23.021 -30.52338 29.98877 
1 1 1    8   12   21 o  398.714   9.0612 24338.69  1102.72 26925.32  3085.23 23959.86  1180.71  414.546   24.492  395.495   9.7811 19.05090 26.37317 
1 1 1    8   12   22 o  462.236   7.8749 32692.58  1111.03 32478.93  1275.69 33363.62  2260.84  460.526   9.0756  465.085   15.926 -4.558563 18.33083 
1 1 1    8   12   23 o  191.836   4.8565  5622.24  284.363  5298.77  352.831  6221.80  480.355  186.173   6.2092  201.635   7.8051 -15.46289 9.973636 
1 1 1    8   12   24 o  212.087   5.0073  6872.86  324.144  6637.51  340.691  9120.54  1052.88  208.406   5.3559  242.873   14.266 -34.46716 15.23794 
1 1 1    8   12   25 o  118.754   7.7094  2167.67  277.927  2336.30  376.105  1964.82  412.509  123.004   10.107  112.396   12.221 10.60764 15.85934 
1 1 1    8   12   26 o   64.085   2.9584  627.051   57.867  999.526   91.865  382.039   74.507   80.899   3.7204   49.754   4.9729 31.14556 6.210548 
1 1 1    8   12   27 o  202.785   5.0800  6284.51  314.422  7399.75  709.306  6011.78  350.768  219.525   10.586  198.293   5.7955 21.23164 12.06864 
1 1 1    8   12   28 o  169.540   4.5720  4391.90  236.590  4768.48  816.347  4357.37  247.199  174.922   15.449  168.863   4.7962 6.059265 16.17638 
1 1 1    8   12   29 f  236.205   6.3722  8535.21  459.405  9393.94  1306.00  8413.94  490.771  245.266   17.562  234.476   6.8575 10.78926 18.85338 
1 1 1    8   12   30 o  138.125   12.184  2960.54  508.391   0.0000   0.0000  2960.54  508.391  ?   ?   138.125   12.184 0.000000 12.18372 
1 1 1    8   12   31 o   61.947   12.365  611.921  225.607  670.294  588.588  601.868  244.263   67.882   23.411   61.277   13.431 6.605152 26.99015 
1 1 1    8   12   32 f  221.658   4.0254  7506.27  272.342  7560.19  485.795  7481.56  328.884  222.193   7.1632  221.237   4.8704 0.9553070 8.662115 
1 1 1    8   12   33 o  288.620   3.9650 12726.51  349.289 12976.73  520.219 12521.11  471.331  291.258   5.8518  286.149   5.3966 5.108490 7.960323 
1 1 1    8   12   34 o   82.081   3.2812  1028.97   82.204  1042.49  156.911  1023.85   96.507   82.296   6.2945   81.865   3.8623 0.4313049 7.385015 
1 1 1    8   12   35 o  186.509   3.9489  5314.67  224.801  5781.36  357.738  5010.13  288.987  194.381   6.0297  181.010   5.2307 13.37045 7.982308 
1 1 1    8   12   36 o   36.017   7.9326  206.643   84.847  192.489   94.519  265.380  192.545   34.755   8.8780   41.854   13.359 -7.098721 16.03963 
1 1 1    8   12   37 o  189.881   3.6323  5507.71  210.516  6134.12  363.240  5190.91  258.321  200.225   5.9437  184.285   4.5925 15.93954 7.511277 
1 1 1    8   12   38 f  122.714   3.6029  2300.35  134.947  2367.62  200.442  2244.59  182.505  124.427   5.2779  121.166   4.9349 3.260132 7.225557 
1 1 1    8   12   39 o  226.976   3.7824  7870.75  262.037  9826.85  852.370  7666.58  275.372  252.589   11.056  223.996   4.0277 28.59238 11.76680 
1 1 1    8   12   40 o  381.239   5.7878 22238.87  673.479 23038.05  1137.71 21807.76  835.618  387.139   9.6282  377.245   7.2572 9.894531 12.05692 
1 1 1    8   12   41 o  140.939   3.0277  3033.69  130.245  3170.71  237.424  2974.71  155.777  143.970   5.4030  139.538   3.6576 4.431839 6.524587 
1 1 1    8   12   42 o   94.578   2.3874  1365.77   68.918  1262.15  118.168  1419.18   84.842   90.872   4.2604   96.399   2.8835 -5.527573 5.144510 
1 1 1    8   12   43 o  111.046   2.6181  1883.04   88.738  2061.81  176.137  1822.23  102.728  116.105   4.9703  109.226   3.0814 6.879715 5.847962 
1 1 1    8   12   44 o  225.230   3.7016  7751.79  254.464  8487.31  427.935  7349.46  316.498  235.430   5.9552  219.217   4.7302 16.21342 7.605241 
1 1 1    8   12   45 o  214.513   3.4390  7030.98  225.169  7226.27  311.432  6817.08  325.938  217.359   4.6943  211.078   5.0591 6.281738 6.901515 
1 1 1    8   12   46 o  178.896   3.0964  4889.24  169.072  4860.86  234.884  4919.75  243.561  178.288   4.3163  179.353   4.4492 -1.065353 6.198884 
1 1 1    8   12   47 o  246.462   5.2113  9300.01  392.025 10000.22  563.275  8642.23  545.945  255.193   7.2316  237.170   7.5417 18.02306 10.44864 
1 1 1    8   12   48 o  148.695   3.2100  3378.76  145.686  3694.14  262.846  3238.91  175.031  155.274   5.5461  145.536   3.9403 9.738510 6.803300 
1 1 1    8   12   49 o  186.529   5.4669  5332.50  311.247  7130.27  714.801  4911.90  345.745  214.048   10.978  178.891   6.3321 35.15680 12.67323 
1 1 1    8   12   50 o  123.809   3.2582  2343.27  123.127  2386.79  208.344  2319.92  152.632  124.761   5.4712  123.132   4.0612 1.628830 6.813797 
1 1 1    8   12   51 o   65.088   3.1453  647.688   62.487  626.681  143.489  652.604   69.414   63.318   7.5750   65.228   3.4993 -1.909546 8.344182 
1 1 1    8   12   52 o  170.976   10.398  4575.31  540.027  5041.99  861.658  4273.42  693.021  176.490   16.175  163.561   14.017 12.92836 21.40402 
1 1 1    8   12   53 o  110.668   2.9395  1872.83   99.291  2319.45  192.752  1711.51  115.844  122.908   5.1381  105.743   3.5893 17.16517 6.267587 
1 1 1    8   12   54 o  153.258   3.9243  3598.80  183.572  3997.91  269.205  3251.92  250.973  161.231   5.4704  145.374   5.6562 15.85693 7.868758 
1 1 1    8   12   55 o  192.038   4.0867  5655.03  239.539  5824.14  337.055  5482.46  340.491  194.458   5.6788  188.594   5.9151 5.863510 8.199835 
1 1 1    8   13    0 o  380.408   23.763 22454.07  2734.38 22454.07  2734.38 22454.07  2734.38  380.408   23.763  380.408   23.763 0.000000 0.000000 
1 1 1    8   13    1 o  437.756   11.558 29317.46  1544.28 29317.46  1544.28   0.0000   0.0000  437.756   11.558  ?   ?  0.000000 11.55783 
1 1 1    8   13    2 o   68.344   4.5252  716.243   93.862  716.243   93.862   0.0000   0.0000   68.344   4.5252  ?   ?  0.000000 4.525184 
1 1 1    8   13    3 o  833.700   14.681 106502.60  3735.68 107776.10  5283.34 105229.50  5282.76  837.011   20.680  826.984   20.929 10.02759 29.42282 
1 1 1    8   13    4 o  395.798   9.6207 23949.52  1162.25 22998.28  1385.33 26210.48  2135.77  387.695   11.707  413.301   16.931 -25.60577 20.58393 
1 1 1    8   13    5 o  357.546   9.2850 19542.15  1013.29   0.0000   0.0000 19542.15  1013.29  ?   ?   357.546   9.2850 0.000000 9.285045 
1 1 1    8   13    6 o  881.164   18.595 119297.30  5001.24 123756.90  5969.25 108793.40  9161.03  896.348   21.819  833.811   35.996 62.53693 42.09265 
1 1 1    8   13    7 o  344.626   7.9270 18148.00  833.825 18577.43  994.165 17129.33  1531.18  348.594   9.3438  334.272   15.008 14.32254 17.67857 
1 1 1    8   13    8 o   68.220   7.3638  719.309  150.899  619.893  295.460  754.392  175.516   62.362   15.570   69.754   8.4138 -7.391602 17.69804 
1 1 1    8   13    9 o  350.036   15.067 18788.86  1609.78 19505.12  2284.88 18082.92  2268.35  355.204   21.171  341.818   21.856 13.38574 30.42893 
1 1 1    8   13   10 o  416.296   11.635 26527.21  1478.39 25453.36  1627.50 31595.19  3535.63  407.622   13.081  450.991   25.792 -43.36859 28.91981 
1 1 1    8   13   11 o  145.428   3.4378  3228.53  152.597  3575.23  229.391  2953.32  204.379  153.016   4.9116  139.074   4.8148 13.94238 6.877905 
1 1 1    8   13   12 o  448.819   8.2595 30793.24  1131.46 31550.17  1683.69 30169.92  1527.90  453.860   12.154  443.933   11.276 9.927155 16.57926 
1 1 1    8   13   13 o  304.517   13.597 14220.09  1263.76   0.0000   0.0000 14220.09  1263.76  ?   ?   304.517   13.597 0.000000 13.59672 
1 1 1    8   13   14 o  127.530   5.3516  2484.04  208.313  2168.66  253.748  3135.94  364.817  118.918   7.0221  142.962   8.3975 -24.04315 10.94659 
1 1 1    8   13   15 o  234.715   10.381  8434.70  743.697   0.0000   0.0000  8434.70  743.697  ?   ?   234.715   10.381 0.000000 10.38097 
1 1 1    8   13   16 o  386.375   9.3529 22847.04  1102.99 25120.93  2876.73 22455.15  1194.26  401.473   23.580  382.942   10.218 18.53076 25.69815 
1 1 1    8   13   17 o  587.666   10.716 52916.01  1922.05 54963.56  2858.99 51227.42  2596.32  597.569   15.675  577.187   14.738 20.38214 21.51512 
1 1 1    8   13   18 o  453.825   15.699 31723.06  2174.65 34208.23  3772.33 30486.12  2661.38  466.574   26.600  443.734   19.650 22.83994 33.07061 
1 1 1    8   13   19 o  669.632   10.118 68716.14  2067.96 69156.17  2621.63 67991.41  3364.51  670.940   12.802  663.771   16.607 7.168518 20.96837 
1 1 1    8   13   20 o  230.344   4.4651  8104.34  313.926  8040.36  359.706  8308.81  643.017  229.401   5.1373  232.920   9.0448 -3.518555 10.40194 
1 1 1    8   13   21 o  257.767   4.4167 10149.28  347.492  9577.96  455.510 10944.63  537.448  250.315   5.9620  267.530   6.5818 -17.21523 8.880676 
1 1 1    8   13   22 o   92.648   3.8043  1310.89  107.580  1414.70  123.060  974.401  221.562   96.239   4.1894   79.194   9.3462 17.04514 10.24217 
1 1 1    8   13   23 o  515.383   17.784 41189.21  2797.59 42051.32  3432.76 39484.20  4827.54  518.755   21.680  494.932   32.131 23.82364 38.76095 
1 1 1    8   13   24 o  123.301   4.8335  2323.03  181.906  2204.15  197.166  3003.04  471.559  120.087   5.3792  139.378   11.179 -19.29091 12.40573 
1 1 1    8   13   25 f  362.641   8.2049 20144.03  908.174 22984.72  1808.49 19186.12  1050.19  385.586   15.367  353.648   9.7293 31.93814 18.18770 
1 1 1    8   13   26 o  407.512   6.4285 25403.44  799.584 24620.60  1014.31 26688.47  1299.54  400.870   8.2899  416.943   10.212 -16.07281 13.15294 
1 1 1    8   13   27 o  310.519   8.3695 14776.39  793.240 13747.57  946.639 17201.94  1453.51  299.183   10.366  333.720   14.270 -34.53720 17.63780 
1 1 1    8   13   28 o  293.709   7.6819 13212.94  688.656   0.0000   0.0000 13212.94  688.656  ?   ?   293.709   7.6819 0.000000 7.681896 
1 1 1    8   13   29 o   41.559   3.6645  265.859   46.008  686.394  318.310  256.886   46.496   65.254   16.085   40.835   3.7731 24.41857 16.52123 
1 1 1    8   13   30 o  190.293   4.2931  5533.02  249.350  5539.83  262.378  5469.57  801.246  190.397   4.5149  187.572   14.098 2.825470 14.80368 
1 1 1    8   13   31 f  125.821   7.5965  2434.28  290.364  2469.51  691.728  2426.74  319.913  124.419   18.802  125.521   8.3987 -1.101707 20.59216 
1 1 1    8   13   32 o  157.997   4.8864  3816.06  235.643  3593.69  830.783  3835.52  245.735  150.614   18.458  158.388   5.0831 -7.774536 19.14542 
1 1 1    8   13   33 o  262.018   12.834 10601.48  1026.41 10557.28  1520.50 10638.48  1391.24  258.874   19.384  260.585   17.595 -1.711884 26.17862 
1 1 1    8   13   34 o  120.157   3.4593  2205.28  126.868   0.0000   0.0000  2205.28  126.868  ?   ?   120.157   3.4593 0.000000 3.459298 
1 1 1    8   13   35 f  165.085   5.2354  4167.55  263.797  4226.03  290.549  3893.12  629.400  166.206   5.7274  158.183   13.155 8.022705 14.34816 
1 1 1    8   13   36 o   84.964   3.1982  1102.53   82.940  1067.50  112.997  1143.45  122.123   83.456   4.4521   86.365   4.6499 -2.909935 6.437625 
1 1 1    8   13   37 o  129.046   2.7924  2542.93  109.986  2471.86  161.756  2604.04  149.997  127.185   4.1669  130.557   3.7641 -3.372070 5.615299 
1 1 1    8   13   38 o  128.522   2.4176  2521.94   94.837  2627.54  207.148  2493.94  106.674  131.079   5.1776  127.798   2.7347 3.281181 5.855454 
1 1 1    8   13   39 o  273.131   4.0608 11399.78  338.530 11222.14  689.873 11456.13  388.524  270.425   8.3581  273.750   4.6499 -3.325012 9.564476 
1 1 1    8   13   40 o  311.100   6.4823 14821.25  615.521 13896.85  1321.70 15077.26  695.552  299.196   14.473  313.637   7.2658 -14.44101 16.19448 
1 1 1    8   13   41 o  318.175   5.4725 15489.52  531.459 15757.55  816.814 15292.75  699.860  320.369   8.3533  315.839   7.2599 4.529480 11.06718 
1 1 1    8   13   42 o   63.554   3.2433  618.605   62.705  685.590   99.071  573.837   80.992   66.774   4.8950   61.111   4.3710 5.663174 6.562550 
1 1 1    8   13   43 o  352.434   4.5934 18994.43  494.113 19124.20  715.552 18876.14  683.137  353.246   6.6366  351.005   6.3764 2.241394 9.203446 
1 1 1    8   13   44 o  223.427   3.8753  7630.07  264.279  7748.96  346.235  7464.12  409.067  225.040   5.0407  220.736   6.0716 4.304733 7.891359 
1 1 1    8   13   45 o   45.442   5.6643  321.113   76.858  471.731  556.355  318.183   77.602   60.343   22.511   45.218   5.7529 15.12461 23.23457 
1 1 1    8   13   46 o  175.447   6.3955  4720.73  342.483  4720.73  342.483   0.0000   0.0000  175.447   6.3955  ?   ?  0.000000 6.395498 
1 1 1    8   13   47 o  262.116   5.2058 10522.36  416.486 10407.12  594.477 10633.45  583.672  260.185   7.4858  263.053   7.2696 -2.868530 10.43470 
1 1 1    8   13   48 o  240.688   3.8691  8860.01  284.236  9449.50  486.957  8555.38  350.057  248.096   6.4306  236.368   4.8521 11.72693 8.055829 
1 1 1    8   13   49 o  232.976   3.5376  8300.04  251.554  8957.74  484.533  8057.35  294.328  241.437   6.5751  229.450   4.2027 11.98729 7.803495 
1 1 1    8   13   50 o  180.969   3.4027  5008.42  187.948  5684.73  322.512  4660.62  231.281  192.479   5.4896  174.458   4.3434 18.02144 7.000108 
1 1 1    8   13   51 o  100.146   2.9333  1533.26   89.661  1847.33  178.242  1426.86  103.742  109.705   5.3231   96.571   3.5196 13.13306 6.381472 
1 1 1    8   13   52 o   87.281   2.6279  1164.45   70.007  972.295  284.411  1176.85   72.230   77.584   12.430   87.741   2.6971 -10.15699 12.71933 
1 1 1    8   13   53 o   78.754   3.8813  950.219   93.298  997.752  180.533  932.899  108.978   79.946   7.4856   77.838   4.6076 2.108093 8.790021 
1 1 1    8   13   54 o   53.047   6.3420  440.339  100.648  443.432  109.550  423.598  254.902   53.112   6.9222   50.596   15.246 2.516613 16.74409 
1 1 1    8   13   55 o  155.230   5.1277  3707.66  242.950  3961.15  602.486  3658.44  265.493  156.758   12.701  154.062   5.6460 2.695892 13.89968 
1 1 1    8   14    0 o  136.093   5.8531  2843.29  242.107  2843.29  242.107  2843.29  242.107  136.093   5.8531  136.093   5.8531 0.000000 0.000000 
1 1 1    8   14    1 o  461.821   10.549 32630.69  1486.99 31443.84  3861.64 32837.31  1611.24  449.015   28.322  463.183   11.397 -14.16843 30.52917 
1 1 1    8   14    2 o  731.427   30.718 83398.62  6857.80 83822.66  9699.32 82974.73  9697.47  724.101   44.096  720.247   44.328 3.854004 62.52515 
1 1 1    8   14    3 o  479.641   19.600 35419.80  2869.34 40074.52  4063.03 30788.66  4052.72  507.756   26.307  443.593   30.111 64.16351 39.98403 
1 1 1    8   14    4 o  331.989   21.010 17059.55  2117.96   0.0000   0.0000 17059.55  2117.96  ?   ?   331.989   21.010 0.000000 21.00985 
1 1 1    8   14    6 o  404.743   17.585 25189.81  2172.41 24252.86  3076.26 26121.90  3068.26  394.675   25.676  409.978   24.634 -15.30267 35.58254 
1 1 1    8   14    7 o  401.236   17.568 24760.78  2151.48 23378.61  3047.44 26134.29  3037.88  387.291   25.930  410.055   24.382 -22.76416 35.59269 
1 1 1    8   14    8 o  414.782   10.884 26337.72  1377.88 25945.88  1516.81 28187.48  3295.59  411.537   12.076  425.419   25.498 -13.88199 28.21293 
1 1 1    8   14    9 o  149.437   4.8060  3410.19  219.210  3447.43  241.385  3234.96  523.582  150.241   5.2639  144.822   11.952 5.419067 13.05953 
1 1 1    8   14   10 o  220.612   5.1505  7433.23  346.816  7952.21  412.126  6173.85  641.998  228.156   5.9181  200.541   10.525 27.61528 12.07501 
1 1 1    8   14   11 o  284.167   7.0590 12342.15  612.256 14890.73  1610.16 11911.38  661.980  310.545   17.053  279.120   7.7703 31.42490 18.73966 
1 1 1    8   14   12 o  373.948   9.5992 21403.77  1095.63   0.0000   0.0000 21403.77  1095.63  ?   ?   373.948   9.5992 0.000000 9.599197 
1 1 1    8   14   13 o  256.632   12.185 10101.86  954.429   0.0000   0.0000 10101.86  954.429  ?   ?   256.632   12.185 0.000000 12.18472 
1 1 1    8   14   14 o  129.094   4.2946  2544.99  169.217  2567.80  199.768  2487.06  318.387  129.654   5.0480  127.238   8.2426 2.416786 9.665566 
1 1 1    8   14   15 o  266.621   10.380 10893.54  844.715  9540.58  1475.64 11552.97  1030.21  247.444   19.701  274.343   12.303 -26.89908 23.22745 
1 1 1    8   14   16 o  185.149   3.5678  5234.27  201.623  5443.88  231.183  4568.22  412.098  188.807   4.0116  172.798   7.8135 16.00893 8.783142 
1 1 1    8   14   17 o  120.094   2.5324  2201.66   92.826  2318.02  125.398  2060.59  138.066  123.214   3.3344  116.161   3.8941 7.053551 5.126635 
1 1 1    8   14   18 o  186.424   5.0434  5310.04  286.974  5334.54  332.443  5238.40  568.477  186.817   5.8302  184.562   10.130 2.255371 11.68812 
1 1 1    8   14   19 o  256.008   5.0519 10014.44  394.752  9432.13  561.382 10584.00  555.196  248.278   7.4080  263.046   6.9151 -14.76816 10.13398 
1 1 1    8   14   20 o  110.564   3.3179  1866.60  111.968  1639.36  161.764  2075.60  155.137  103.576   5.1169  116.566   4.3604 -12.98997 6.722789 
1 1 1    8   14   21 o  447.160   11.145 30712.54  1521.05 30370.93  1649.01 32660.85  3938.08  444.395   12.157  452.229   28.679 -7.834686 31.14930 
1 1 1    8   14   22 o  212.284   4.6121  6885.26  298.834  6887.67  314.153  6862.33  968.811  212.308   4.8479  210.216   15.202 2.092117 15.95607 
1 1 1    8   14   23 o  186.290   5.5254  5305.27  314.176  5262.95  341.780  5535.96  797.985  185.515   6.0360  188.938   13.936 -3.423309 15.18690 
1 1 1    8   14   24 o  137.977   3.0903  2906.99  130.146  3306.81  167.679  2301.16  206.406  147.142   3.7336  122.687   5.5120 24.45480 6.657447 
1 1 1    8   14   25 o  332.803   6.4377 16945.03  653.934 16921.43  687.695 17167.84  2113.01  332.527   6.7757  330.411   21.062 2.116425 22.12506 
1 1 1    8   14   26 o  285.968   13.124 12613.95  1145.51   0.0000   0.0000 12613.95  1145.51  ?   ?   285.968   13.124 0.000000 13.12397 
1 1 1    8   14   27 o  124.955   4.8206  2386.39  183.854   0.0000   0.0000  2386.39  183.854  ?   ?   124.955   4.8206 0.000000 4.820624 
1 1 1    8   14   28 o   77.141   2.8883  908.656   68.005  999.295   93.564  807.150   99.014   80.881   3.7901   72.537   4.4943 8.343468 5.879059 
1 1 1    8   14   29 o   34.110   6.0297  183.277   60.480  160.318   68.643  262.951  127.873   31.726   7.2474   40.585   10.304 -8.859396 12.59765 
1 1 1    8   14   30 o  101.165   2.8999  1562.79   89.542  1621.51  118.585  1484.91  136.577  103.026   3.7711   98.569   4.5396 4.457443 5.901614 
1 1 1    8   14   31 o   37.830   4.3811  221.628   49.650  211.486   71.375  231.136   69.112   36.608   6.6320   38.396   6.1014 -1.787697 9.011697 
1 1 1    8   14   32 o  135.609   4.6509  2810.96  192.505  2897.39  211.122  2384.73  468.847  137.660   5.0247  123.668   12.597 13.99210 13.56205 
1 1 1    8   14   33 o  198.814   14.619  6159.59  880.884   0.0000   0.0000  6159.59  880.884  ?   ?   198.814   14.619 0.000000 14.61875 
1 1 1    8   14   34 o  163.953   9.4413  4143.13  470.466   0.0000   0.0000  4143.13  470.466  ?   ?   163.953   9.4413 0.000000 9.441294 
1 1 1    8   14   35 o   34.320   10.901  178.079  128.341  195.084  155.332  141.495  227.831   36.416   12.027   37.042   14.270 -0.6264877 18.66216 
1 1 1    8   14   36 o  293.073   4.7700 13130.99  426.690 12637.52  543.499 13923.76  688.882  287.342   6.1970  301.406   7.4882 -14.06485 9.719857 
1 1 1    8   14   37 o  205.822   5.1783  6478.60  325.307  7583.27  771.292  6239.57  358.780  221.490   11.448  201.933   5.8211 19.55687 12.84307 
1 1 1    8   14   38 o  147.105   3.6025  3305.95  161.751  2864.18  854.033  3322.38  164.733  132.926   21.806  147.467   3.6599 -14.54189 22.11125 
1 1 1    8   14   39 o  289.225   4.6132 12789.02  407.245 13330.13  694.285 12505.19  502.834  294.807   7.7158  285.854   5.7632 8.952393 9.630603 
1 1 1    8   14   40 f   94.786   2.6437  1371.96   76.484  1448.72  122.805  1323.32   97.759   97.358   4.1327   93.071   3.4413 4.287415 5.377876 
1 1 1    8   14   41 o  208.145   3.1187  6617.80  198.133  6926.70  286.211  6333.54  274.555  212.852   4.4055  203.533   4.4195 9.318680 6.240237 
1 1 1    8   14   42 o  139.784   2.3177  2983.53   98.886  3001.56  179.563  2975.69  118.469  140.120   4.1985  139.584   2.7807 0.5369263 5.035864 
1 1 1    8   14   43 o  228.897   3.1059  8004.05  216.991  8271.76  460.447  7927.62  246.023  232.296   6.4941  227.767   3.5389 4.528442 7.395789 
1 1 1    8   14   44 o  128.312   3.0590  2515.28  119.802  2432.77  226.943  2547.15  141.058  126.009   5.9006  129.098   3.5798 -3.088768 6.901642 
1 1 1    8   14   45 o   32.696   6.0104  169.005   57.771  167.372  124.533  169.453   65.213   33.334   10.754   32.634   6.7691 0.7006187 12.70722 
1 1 1    8   14   46 o  290.698   7.3364 12989.40  650.940 14408.36  1227.18 12433.84  767.868  303.723   13.238  283.948   8.8599 19.77505 15.92908 
1 1 1    8   14   47 o  107.800   3.6073  1776.88  118.692  1807.52  181.191  1753.85  157.089  108.452   5.4916  107.020   4.8091 1.431862 7.299698 
1 1 1    8   14   48 o  157.362   3.2869  3785.75  157.873  3796.35  266.296  3780.01  196.039  157.326   5.5456  157.167   4.0866 0.1591797 6.888687 
1 1 1    8   14   49 o   47.640   4.2630  350.271   61.333  488.005  151.618  323.323   67.065   55.394   9.2969   45.671   4.8869 9.722382 10.50307 
1 1 1    8   14   50 o  104.044   3.4857  1656.20  110.693  1907.79  182.765  1510.44  139.109  111.475   5.3715   99.269   4.5912 12.20625 7.066308 
1 1 1    8   14   51 o  202.500   5.0901  6295.83  314.604  7302.40  717.077  6055.89  350.098  215.504   10.938  198.431   5.7805 17.07336 12.37106 
1 1 1    8   14   52 o  159.752   3.5947  3907.86  175.277  4613.02  273.250  3414.87  228.475  173.258   5.1671  149.098   5.0205 24.15997 7.204527 
1 1 1    8   14   53 o   33.102   5.7225  173.500   55.725  226.251  150.808  165.159   59.969   37.775   11.793   32.168   6.3333 5.607132 13.38564 
1 1 1    8   14   54 o   83.424   4.3635  1071.34  110.722   0.0000   0.0000  1071.34  110.722  ?   ?    83.424   4.3635 0.000000 4.363532 
1 1 1    8   15    0 o  429.666   11.930 28297.20  1561.83 28297.20  1561.83 28297.20  1561.83  429.666   11.930  429.666   11.930 0.000000 0.000000 
1 1 1    8   15    1 o  536.812   11.697 44158.21  1916.48 42600.04  2225.74 48625.74  3768.79  526.825   13.842  560.399   22.034 -33.57477 26.02071 
1 1 1    8   15    2 o  266.066   12.325 10853.24  1000.88 12710.83  1414.75  8991.94  1416.17  287.011   16.216  240.603   19.450 46.40778 25.32342 
1 1 1    8   15    3 o  270.362   10.157 11190.48  838.164 12423.35  1455.81 10579.19  1025.11  283.587   16.896  262.632   12.788 20.95566 21.18958 
1 1 1    8   15    4 o  299.611   11.372 13754.79  1039.91 13536.57  1801.03 13863.92  1273.67  295.309   20.101  300.501   13.887 -5.192169 24.43136 
1 1 1    8   15    5 o  448.568   19.378 31075.19  2653.12 29860.26  3755.96 32285.11  3748.22  435.919   28.384  453.874   27.182 -17.95514 39.29998 
1 1 1    8   15    6 o  469.875   29.036 34742.60  4143.82 34742.60  4143.82   0.0000   0.0000  469.875   29.036  ?   ?  0.000000 29.03589 
1 1 1    8   15    7 o  190.373   6.1962  5538.10  360.035  5538.10  360.035   0.0000   0.0000  190.373   6.1962  ?   ?  0.000000 6.196154 
1 1 1    8   15    8 o  163.211   5.4229  4069.43  270.148  3887.09  294.504  5037.06  678.430  159.493   6.0497  180.775   12.370 -21.28232 13.77003 
1 1 1    8   15    9 o  161.742   5.1729  3996.25  255.374  3997.94  278.242  3987.26  643.231  161.761   5.6355  160.592   13.241 1.168716 14.39019 
1 1 1    8   15   10 o  195.631   5.8804  5848.30  351.124   0.0000   0.0000  5848.30  351.124  ?   ?   195.631   5.8804 0.000000 5.880391 
1 1 1    8   15   11 o   26.133   7.2153  107.585   59.445   0.0000   0.0000  107.585   59.445  ?   ?    26.133   7.2153 0.000000 7.215263 
1 1 1    8   15   12 o  417.386   10.979 26719.07  1398.67   0.0000   0.0000 26719.07  1398.67  ?   ?   417.386   10.979 0.000000 10.97893 
1 1 1    8   15   13 o  108.571   3.1867  1799.73  105.604  1774.06  157.258  1820.82  142.520  107.764   4.7810  109.186   4.2765 -1.421745 6.414569 
1 1 1    8   15   14 o  251.116   5.0473  9634.64  386.854 10028.30  575.934  9311.00  522.195  256.028   7.3700  246.736   6.9340 9.291626 10.11916 
1 1 1    8   15   15 o  231.763   8.9588  8228.48  633.744  8564.54  1109.94  8065.92  771.946  235.058   15.559  229.239   11.033 5.819550 19.07321 
1 1 1    8   15   16 o   94.176   4.3234  1354.77  124.273  1093.16  148.928  1954.61  225.510   84.365   5.8192  112.861   6.5749 -28.49591 8.780217 
1 1 1    8   15   17 o   59.024   3.5715  533.967   64.039  542.328   72.745  505.172  134.997   59.451   4.0327   56.890   7.9951 2.560993 8.954579 
1 1 1    8   15   18 o  245.687   4.1211  9220.14  309.035  9413.65  393.019  8906.69  500.194  248.187   5.1882  241.290   6.7918 6.896713 8.546664 
1 1 1    8   15   19 o  513.213   9.0997 40376.00  1425.41 40162.92  1569.25 41381.14  3408.23  511.606   10.049  514.206   21.716 -2.599823 23.92826 
1 1 1    8   15   20 o   71.003   3.4267  769.875   74.262  824.329   77.094   69.374  276.510   73.471   3.4379   37.054   15.228 36.41669 15.61084 
1 1 1    8   15   21 o  187.396   8.5439  5381.81  488.688  5187.44  614.447  5716.41  806.181  183.401   11.028  191.999   13.850 -8.597519 17.70392 
1 1 1    8   15   22 o  198.847   5.5412  6045.28  336.312  5608.15  389.971  7313.96  664.354  191.444   6.6738  218.274   9.9720 -26.83018 11.99915 
1 1 1    8   15   23 o  308.660   7.2072 14585.82  678.988 14854.51  736.435 13062.38  1753.56  311.413   7.7478  288.380   20.047 23.03299 21.49198 
1 1 1    8   15   24 o  227.064   8.9913  7908.62  623.144   0.0000   0.0000  7908.62  623.144  ?   ?   227.064   8.9913 0.000000 8.991337 
1 1 1    8   15   25 o  171.769   9.4846  4542.77  495.330   0.0000   0.0000  4542.77  495.330  ?   ?   171.769   9.4846 0.000000 9.484604 
1 1 1    8   15   26 o  381.327   9.0995 22315.26  1059.08 23077.60  2801.61 22188.15  1143.97  380.719   24.236  380.056   9.8617 0.6632080 26.16510 
1 1 1    8   15   27 o  190.899   5.0676  5571.46  295.274  5539.71  342.201  5663.99  584.203  190.295   5.8917  191.726   10.018 -1.430893 11.62196 
1 1 1    8   15   28 o  100.388   3.4637  1539.31  106.132  1583.86  164.734  1507.69  138.771  101.633   5.3290   99.321   4.5776 2.312370 7.025188 
1 1 1    8   15   29 o  161.318   4.8421  3978.29  238.416  3842.13  276.341  4374.72  471.534  158.481   5.7128  168.544   9.2008 -10.06334 10.83013 
1 1 1    8   15   30 o  208.536   5.2859  6650.36  336.447  6544.95  426.998  6822.96  546.394  206.740   6.7668  210.881   8.4889 -4.140991 10.85591 
1 1 1    8   15   31 o  267.686   4.3840 10951.28  358.188 11880.08  645.059 10537.23  430.688  278.407   7.5911  262.482   5.3758 15.92505 9.301812 
1 1 1    8   15   32 o  300.470   5.5042 13809.73  504.793 12271.44  786.219 14888.60  658.430  282.679   9.1124  311.780   6.9190 -29.10071 11.44153 
1 1 1    8   15   33 o  316.091   7.2114 15308.38  695.746 15687.34  755.144 13179.80  1789.69  319.885   7.7343  288.660   20.445 31.22485 21.85925 
1 1 1    8   15   34 o  119.361   10.319  2208.02  372.248  2399.15  745.173  2144.47  429.705  121.834   20.784  117.262   12.184 4.572479 24.09232 
1 1 1    8   15   35 o   44.409   12.869  311.192  184.545  218.103  676.369  318.680  191.824   58.103   23.840   44.976   13.146 13.12652 27.22388 
1 1 1    8   15   36 o  227.304   4.0795  7895.54  283.026  7871.72  508.259  7906.25  340.745  226.620   7.3480  227.390   4.9096 -0.7691650 8.837238 
1 1 1    8   15   37 f  104.966   3.8045  1683.47  121.887  1589.25  220.889  1724.71  146.151  101.580   7.1705  106.218   4.5080 -4.637695 8.469831 
1 1 1    8   15   38 o  175.234   3.4691  4691.14  185.547  4828.28  359.030  4641.17  216.734  177.532   6.6258  174.264   4.0748 3.268204 7.778473 
1 1 1    8   15   39 f   71.640   2.7660  783.790   60.482  731.494  111.792  805.432   71.916   68.936   5.3551   72.613   3.2449 -3.676292 6.261484 
1 1 1    8   15   40 o  161.620   2.8682  3989.50  141.489  4072.56  296.385  3964.99  161.021  163.080   5.9544  161.103   3.2746 1.977234 6.795446 
1 1 1    8   15   41 o   98.094   3.5169  1470.34  105.298  1433.41  166.915  1494.75  135.709   96.590   5.6868   98.865   4.4973 -2.275307 7.250196 
1 1 1    8   15   42 o  244.932   4.8684  9179.07  363.956 11074.21  1331.11  9025.94  378.375  264.985   16.541  242.849   5.1047 22.13615 17.31034 
1 1 1    8   15   43 o  354.635   5.3452 19257.60  578.577 19958.52  946.857 18839.95  730.904  360.073   8.6154  350.398   6.8341 9.675018 10.99685 
1 1 1    8   15   44 o  350.225   6.7653 18827.54  723.192 19881.12  980.753 17571.98  1070.65  359.116   8.9476  337.020   10.408 22.09592 13.72550 
1 1 1    8   15   45 o  300.453   7.3248 13878.56  671.719 13878.56  671.719   0.0000   0.0000  300.453   7.3248  ?   ?  0.000000 7.324777 
1 1 1    8   15   46 o  202.170   4.1505  6253.98  256.115  6288.50  367.569  6221.40  357.061  202.449   5.9485  201.391   5.8088 1.058136 8.314217 
1 1 1    8   15   47 o   50.117   4.9039  388.510   74.053  221.924  133.970  461.802   88.862   37.421   11.000   54.612   5.4019 -17.19085 12.25459 
1 1 1    8   15   48 o   33.563   4.1869  175.134   41.959  349.206  125.985  153.418   44.499   46.688   9.1681   31.279   4.8155 15.40920 10.35585 
1 1 1    8   15   49 o  100.546   2.4648  1544.81   75.642  1582.55  171.902  1535.75   84.235  101.346   5.5787  100.234   2.7533 1.111847 6.221141 
1 1 1    8   15   50 o   66.161   2.6802  669.170   54.123  555.692  255.942  674.482   55.376   57.811   14.523   66.421   2.7315 -8.609821 14.77812 
1 1 1    8   15   51 o   67.557   2.9273  698.089   60.360  873.733  143.870  660.568   66.495   75.005   6.3438   65.610   3.3314 9.395287 7.165357 
1 1 1    8   15   52 o   64.658   3.7595  642.798   73.874  645.886  135.872  641.502   88.021   64.222   7.0474   64.489   4.5000 -0.2673111 8.361587 
1 1 1    8   15   53 o   34.385   11.313  181.787  137.483  223.712  214.863  152.721  178.901   39.395   14.099   34.339   12.774 5.056164 19.02518 
1 1 1    8   16    0 o  450.799   11.798 31159.57  1620.82 31159.57  1620.82 31159.57  1620.82  450.799   11.798  450.799   11.798 0.000000 0.000000 
1 1 1    8   16    1 o  202.704   10.346  6313.66  637.994  8698.38  901.123  3916.88  903.401  237.683   12.465  157.954   19.128 79.72905 22.83125 
1 1 1    8   16    2 o  246.167   11.737  9299.24  881.903  8211.66  1249.77 10377.91  1244.64  229.804   17.961  259.001   15.820 -29.19768 23.93462 
1 1 1    8   16    3 o  302.814   13.783 14102.07  1273.89 12796.32  1804.54 15399.20  1798.58  286.347   20.789  314.862   18.801 -28.51498 28.02938 
1 1 1    8   16    4 o  346.379   8.8590 18369.29  936.596 17642.02  2256.50 18520.67  1029.46  335.944   22.130  347.692   9.7006 -11.74783 24.16314 
1 1 1    8   16    5 o  478.218   20.459 35513.21  2986.21 35785.88  4226.29 35241.35  4219.98  474.970   29.296  471.213   29.490 3.757568 41.56751 
1 1 1    8   16    6 o  169.702   9.2950  4424.34  479.621  5138.98  691.041  3760.12  666.212  182.479   12.482  155.672   14.177 26.80646 18.88861 
1 1 1    8   16    7 f  235.325   9.4469  8484.36  678.539  6729.54  1181.28  9348.47  828.936  207.567   18.851  246.847   11.002 -39.28036 21.82687 
1 1 1    8   16    8 o  310.253   13.832 14815.89  1309.85   0.0000   0.0000 14815.89  1309.85  ?   ?   310.253   13.832 0.000000 13.83210 
1 1 1    8   16    9 o  127.355   8.5695  2494.77  331.172   0.0000   0.0000  2494.77  331.172  ?   ?   127.355   8.5695 0.000000 8.569472 
1 1 1    8   16   10 f  126.433   12.494  2481.00  475.836   0.0000   0.0000  2481.00  475.836  ?   ?   126.433   12.494 0.000000 12.49395 
1 1 1    8   16   11 o  145.026   5.0216  3213.77  222.285  3150.43  241.556  3563.95  567.924  143.572   5.5123  151.759   12.368 -8.187347 13.54111 
1 1 1    8   16   12 o  269.654   12.494 11183.70  1028.34 11450.81  1457.27 10918.77  1451.32  271.249   17.699  264.738   18.069 6.510986 25.29294 
1 1 1    8   16   13 o   99.613   8.9993  1532.90  270.664  1468.84  385.306  1595.31  380.295   96.765   13.406  101.067   12.602 -4.301933 18.39899 
1 1 1    8   16   14 o  184.634   5.5479  5210.90  312.648  5242.00  341.705  5051.06  774.769  185.156   6.0464  180.434   14.182 4.721802 15.41757 
1 1 1    8   16   15 o   96.546   3.3602  1423.37   99.017  1387.08  140.491  1459.19  139.577   95.152   4.8536   97.725   4.6794 -2.573204 6.741938 
1 1 1    8   16   16 o  258.795   6.6447 10246.12  524.862 11245.01  1381.90 10077.73  567.380  268.816   16.929  256.601   7.2443 12.21506 18.41380 
1 1 1    8   16   17 o  193.562   4.9987  5725.90  295.323  5822.81  341.554  5438.83  587.840  195.150   5.7342  187.941   10.287 7.208710 11.77691 
1 1 1    8   16   18 o   14.876   6.5712 -19.0387   58.573 -33.2043   60.021  263.975  268.282   14.296   6.4577   44.378   15.768 -30.08290 17.03913 
1 1 1    8   16   19 o  345.100   8.8275 18260.10  929.822 17942.90  1007.99 20070.56  2408.16  341.933   9.6583  356.769   22.225 -14.83658 24.23297 
1 1 1    8   16   20 o  239.746   5.1245  8786.06  374.987  8707.84  394.013  9537.81  1221.51  238.655   5.4091  247.476   16.262 -8.821060 17.13795 
1 1 1    8   16   21 o  307.547   5.9514 14467.20  558.660 14508.82  587.403 14072.93  1808.06  307.953   6.2493  299.317   19.904 8.635925 20.86226 
1 1 1    8   16   22 o  142.605   5.5116  3109.68  239.900  3109.68  239.900   0.0000   0.0000  142.605   5.5116  ?   ?  0.000000 5.511616 
1 1 1    8   16   23 o  375.462   8.9246 21628.95  1022.75 21604.24  1221.08 21687.04  1872.10  374.819   10.673  373.605   16.417 1.213745 19.58183 
1 1 1    8   16   24 o  363.636   6.8906 20246.15  764.793 19895.94  1142.23 20530.74  1029.67  359.727   10.403  365.710   9.2245 -5.983582 13.90382 
1 1 1    8   16   25 o  186.327   4.1048  5304.67  233.448  5279.26  255.417  5433.62  575.360  185.858   4.5025  187.753   10.077 -1.894531 11.03702 
1 1 1    8   16   26 o  109.573   3.3399  1833.77  111.699  2018.74  168.508  1688.78  149.183  114.917   4.8042  105.112   4.6500 9.804718 6.685967 
1 1 1    8   16   27 o   81.362   6.5955  1020.10  162.382  1285.21  333.467  937.700  185.913   90.443   12.407   77.806   7.9397 12.63662 14.72978 
1 1 1    8   16   28 o  147.393   4.3054  3320.06  193.690  3460.93  243.903  3079.56  318.697  150.434   5.3120  141.572   7.4011 8.861908 9.110069 
1 1 1    8   16   29 o   49.901   3.4551  382.175   52.300  488.103  394.974  380.284   52.764   57.290   19.187   49.773   3.4953 7.516682 19.50285 
1 1 1    8   16   30 f  149.286   3.6805  3404.66  167.705  3385.70  265.607  3417.23  216.266  148.752   5.8501  149.510   4.7392 -0.7580566 7.528791 
1 1 1    8   16   31 o   76.324   3.8599  892.314   89.627  896.518   97.464  869.284  228.131   76.479   4.1912   74.479   10.312 2.000481 11.13125 
1 1 1    8   16   32 o  248.130   4.9709  9414.08  376.468  9482.93  396.166  8773.00  1208.94  249.012   5.2124  236.608   16.850 12.40337 17.63790 
1 1 1    8   16   33 o  207.274   4.3922  6566.57  277.875  6472.98  305.255  7019.17  671.292  205.757   4.8606  213.570   10.298 -7.813248 11.38748 
1 1 1    8   16   34 o  170.418   4.0374  4438.03  210.007  4465.94  230.498  4301.68  509.500  170.931   4.4180  166.916   10.048 4.015198 10.97596 
1 1 1    8   16   35 o  138.043   3.9944  2912.02  168.298  2933.11  286.773  2900.94  207.858  138.369   6.7902  137.732   4.9444 0.6370392 8.399644 
1 1 1    8   16   36 o  206.476   4.4911  6517.51  283.035  7021.61  437.110  6153.56  371.411  214.085   6.6894  200.484   6.0696 13.60143 9.032596 
1 1 1    8   16   37 o  250.188   4.3325  9568.77  330.841  9912.03  590.705  9411.88  399.354  254.188   7.6138  248.027   5.2752 6.160141 9.262679 
1 1 1    8   16   38 o   66.276   4.6998  675.108   94.456  753.027  764.336  673.899   95.185   73.059   26.533   66.212   4.7413 6.846916 26.95336 
1 1 1    8   16   39 o  248.092   4.9414  9416.20  374.184  9700.97  1477.74  9396.69  386.789  246.628   19.798  247.814   5.1137 -1.186356 20.44745 
1 1 1    8   16   40 o  248.887   4.0979  9470.36  311.300  9538.51  535.033  9435.49  382.758  249.349   7.0300  248.313   5.0502 1.035675 8.655948 
1 1 1    8   16   41 o   88.874   2.8789  1206.55   78.093  1424.05  160.785  1139.40   89.338   96.278   5.4942   86.350   3.3897 9.928116 6.455724 
1 1 1    8   16   42 o  124.449   3.6942  2367.51  140.324  2631.17  212.390  2163.27  186.934  131.079   5.3086  118.866   5.1524 12.21320 7.397928 
1 1 1    8   16   43 o   89.049   12.865  1260.27  339.523  1260.27  339.523   0.0000   0.0000   89.049   12.865  ?   ?  0.000000 12.86482 
1 1 1    8   16   44 o   31.014   9.8382  146.463  104.558  146.463  104.558   0.0000   0.0000   31.014   9.8382  ?   ?  0.000000 9.838166 
1 1 1    8   16   45 o  134.910   3.3234  2782.50  136.851  2942.51  425.773  2764.06  144.519  137.361   10.229  134.448   3.5217 2.912994 10.81800 
1 1 1    8   16   46 o  190.018   3.0189  5519.14  175.088  6164.31  255.074  4944.32  240.767  200.673   4.1645  179.691   4.3899 20.98192 6.050968 
1 1 1    8   16   47 o   76.343   2.9609  890.983   68.994  1201.84  173.280  832.416   75.214   88.145   6.4863   73.773   3.3402 14.37154 7.295824 
1 1 1    8   16   48 o   78.172   2.9587  934.400   70.594  1011.05  170.820  918.612   77.524   80.663   7.0079   77.492   3.2777 3.170929 7.736480 
1 1 1    8   16   49 o  157.180   3.7124  3783.20  178.104  4366.91  530.639  3709.09  189.072  166.604   10.489  155.593   3.9812 11.01039 11.21885 
1 1 1    8   16   50 o   57.405   4.2338  508.093   73.659  625.463  151.307  471.637   84.326   62.977   8.0562   55.171   5.0642 7.806274 9.515670 
1 1 1    8   16   51 o  170.579   5.2146  4476.91  271.497  4527.11  294.637  4194.43  698.903  171.417   5.6314  160.304   14.439 11.11308 15.49841 
1 1 1    8   17    0 o  142.692   12.787  3193.11  546.609  3193.11  546.609  3193.11  546.609  142.692   12.787  142.692   12.787 0.000000 0.000000 
1 1 1    8   17    1 o   94.775   8.6963  1387.42  248.756  1353.31  357.199  1419.54  346.628   92.910   12.948   95.335   12.192 -2.424789 17.78426 
1 1 1    8   17    2 o  160.369   5.0883  3929.95  249.064  3754.58  632.222  3962.17  270.978  155.585   13.445  161.006   5.5141 -5.421539 14.53218 
1 1 1    8   17    3 o  200.600   10.442  6191.25  637.104  5088.68  906.210  7268.83  895.881  180.620   16.624  216.820   13.606 -36.19952 21.48266 
1 1 1    8   17    4 o  288.251   11.017 12758.33  969.326 10838.62  1672.96 13728.50  1189.30  262.781   21.034  298.642   13.047 -35.86145 24.75243 
1 1 1    8   17    5 o  358.490   12.695 19774.83  1389.08 18250.99  2405.24 20537.43  1701.52  340.392   23.291  364.666   15.287 -24.27408 27.85938 
1 1 1    8   17    6 o  250.305   11.200  9623.63  855.667   0.0000   0.0000  9623.63  855.667  ?   ?   250.305   11.200 0.000000 11.20001 
1 1 1    8   17    7 o  343.387   15.135 18211.35  1586.26   0.0000   0.0000 18211.35  1586.26  ?   ?   343.387   15.135 0.000000 15.13469 
1 1 1    8   17    8 o  170.248   9.4791  4458.08  490.616   0.0000   0.0000  4458.08  490.616  ?   ?   170.248   9.4791 0.000000 9.479095 
1 1 1    8   17    9 o  313.306   11.712 15091.19  1119.96 13426.48  1946.32 15915.26  1369.40  292.064   21.995  321.249   13.966 -29.18518 26.05410 
1 1 1    8   17   10 o  432.434   10.885 28723.40  1436.66 26996.32  1713.17 32816.38  2637.31  418.533   13.411  459.285   18.813 -40.75168 23.10375 
1 1 1    8   17   11 o  450.610   10.927 31193.79  1502.88 30253.13  1792.27 33421.79  2758.34  443.074   13.253  463.086   19.515 -20.01123 23.58974 
1 1 1    8   17   12 o  296.383   7.4816 13448.43  676.804 13229.01  805.933 13973.35  1246.57  293.749   8.9889  301.023   13.567 -7.273926 16.27503 
1 1 1    8   17   13 o  221.417   6.3953  7499.60  432.205  7426.95  475.076  7848.51  1041.12  220.285   7.0658  224.769   15.266 -4.483658 16.82203 
1 1 1    8   17   14 o  191.177   14.512  5678.32  840.455  5678.32  840.455   0.0000   0.0000  191.177   14.512  ?   ?  0.000000 14.51155 
1 1 1    8   17   15 o  559.515   12.452 48223.33  2126.52 49208.51  2537.44 45898.74  3897.72  564.155   14.736  539.361   23.676 24.79401 27.88763 
1 1 1    8   17   16 o  130.417   5.1691  2599.97  205.761  2599.97  205.761   0.0000   0.0000  130.417   5.1691  ?   ?  0.000000 5.169080 
1 1 1    8   17   17 o   57.664   16.209  530.143  297.149  530.143  297.149   0.0000   0.0000   57.664   16.209  ?   ?  0.000000 16.20861 
1 1 1    8   17   18 o  140.901   10.366  3067.00  442.672  3067.00  442.672   0.0000   0.0000  140.901   10.366  ?   ?  0.000000 10.36601 
1 1 1    8   17   19 o   20.926   7.3961   58.160   58.950   62.410   60.621 -15.7651  252.841   21.469   7.5071   32.735   14.064 -11.26631 15.94178 
1 1 1    8   17   20 o   99.237   3.7277  1504.32  112.910  1504.32  112.910   0.0000   0.0000   99.237   3.7277  ?   ?  0.000000 3.727733 
1 1 1    8   17   21 o   97.382   5.6938  1455.45  168.501  1361.45  186.114  1882.76  396.823   94.089   6.5210  109.885   12.028 -15.79649 13.68188 
1 1 1    8   17   22 o   74.997   5.4710  864.750  124.372  896.262  149.886  795.090  222.850   76.245   6.5029   71.139   10.586 5.105919 12.42373 
1 1 1    8   17   23 o  138.356   3.6309  2924.14  153.329  3408.14  244.101  2608.73  197.054  149.284   5.3572  130.628   4.9423 18.65587 7.288799 
1 1 1    8   17   24 o  110.923   3.3088  1879.23  112.022  1891.35  128.105  1839.82  230.924  111.266   3.7721  109.383   6.9528 1.882950 7.910166 
1 1 1    8   17   25 o  167.588   3.0665  4289.23  156.857  4928.40  209.305  3470.35  236.908  179.606   3.8180  150.647   5.1523 28.95943 6.412790 
1 1 1    8   17   26 o   89.695   6.5663  1238.34  178.515  1658.14  430.517  1151.18  196.175  102.541   14.131   86.343   7.5190 16.19872 16.00670 
1 1 1    8   17   27 o  224.776   3.8576  7719.44  264.660  8308.94  477.834  7458.56  317.871  232.930   6.7210  220.883   4.7149 12.04666 8.209884 
1 1 1    8   17   28 o  411.490   12.583 26158.05  1580.39 26504.53  3176.99 26044.12  1821.79  405.717   25.789  409.749   14.567 -4.031433 29.61871 
1 1 1    8   17   29 o   25.563   6.3141  104.003   48.974  185.824   74.319   41.200   65.111   34.174   7.3438   19.972   7.6446 14.20134 10.60055 
1 1 1    8   17   30 o  146.669   3.5825  3286.25  160.377  3340.11  175.725  3017.73  392.394  147.852   3.8939  139.851   9.2448 8.001480 10.03140 
1 1 1    8   17   31 o   95.310   3.8601  1387.98  112.292  1384.12  123.271  1406.76  272.191   95.166   4.2439   95.206   9.4934 -0.3981018E-01 10.39884 
1 1 1    8   17   32 o  385.201   5.2689 22695.81  619.480 24062.39  880.396 21355.72  871.823  396.221   7.2799  373.187   7.6539 23.03397 10.56309 
1 1 1    8   17   33 o   21.052   6.3256   68.404   43.925  117.672   89.169   52.619   50.474   28.119   9.1030   19.658   6.8514 8.461538 11.39321 
1 1 1    8   17   34 o  133.173   3.6506  2709.70  148.389  3150.58  267.897  2514.56  178.228  143.449   6.1186  128.247   4.5531 15.20187 7.626853 
1 1 1    8   17   35 o  176.545   3.9762  4763.44  214.258  6377.69  1069.58  4695.95  218.691  200.921   17.619  175.283   4.0876 25.63763 18.08681 
1 1 1    8   17   36 o  209.729   3.6332  6721.20  232.577  6768.84  403.890  6697.56  284.477  210.209   6.2950  209.294   4.4532 0.9142151 7.710908 
1 1 1    8   17   37 o  119.194   7.5277  2188.95  272.457  2287.01  465.482  2137.85  336.034  120.786   12.822  117.466   9.4525 3.320389 15.92975 
1 1 1    8   17   38 o  282.115   10.722 12293.27  923.257 13222.48  1717.79 11915.81  1094.84  287.954   19.662  276.991   12.950 10.96335 23.54367 
1 1 1    8   17   39 f  106.346   3.8650  1728.86  125.456  1509.85  226.214  1826.14  150.766   98.867   7.5535  109.264   4.5208 -10.39676 8.802986 
1 1 1    8   17   41 o   45.794   6.1185  327.203   83.381   0.0000   0.0000  327.203   83.381  ?   ?    45.794   6.1185 0.000000 6.118461 
1 1 1    8   17   42 f  270.136   8.1505 11239.84  672.026 11239.84  672.026   0.0000   0.0000  270.136   8.1505  ?   ?  0.000000 8.150532 
1 1 1    8   17   43 o  189.298   5.2383  5491.51  302.660  5583.52  355.857  5250.91  575.444  190.734   6.1127  183.738   10.302 6.996414 11.97940 
1 1 1    8   17   44 o  162.294   3.5542  4028.19  176.062  4227.48  279.186  3896.61  226.859  166.014   5.5097  159.500   4.6599 6.514130 7.216081 
1 1 1    8   17   45 o  108.718   2.9463  1806.70   97.767  2243.53  216.050  1694.22  109.635  120.863   5.8566  105.250   3.4128 15.61284 6.778404 
1 1 1    8   17   46 o   73.406   3.8753  827.178   86.518  828.257  157.941  826.715  103.414   72.937   7.1881   73.291   4.6469 -0.3542862 8.559308 
1 1 1    8   17   47 o  146.463   3.1520  3281.30  140.907  3982.20  279.269  3041.94  163.204  160.931   5.6855  140.947   3.7937 19.98456 6.834922 
1 1 1    8   17   48 o   81.481   4.5150  1021.62  111.848  1292.42  653.309  1013.45  113.524   84.385   24.144   81.140   4.6029 3.245522 24.57885 
1 1 1    8   17   49 o  168.150   4.2035  4336.71  215.738  4343.79  302.342  4329.38  307.935  167.879   5.9005  167.566   6.0208 0.3126526 8.430053 
1 1 1    8   17   50 o  114.705   3.4816  2015.53  121.893   0.0000   0.0000  2015.53  121.893  ?   ?   114.705   3.4816 0.000000 3.481603 
1 1 1    8   18    0 o  108.631   4.8264  1812.68  159.309  1812.68  159.309  1812.68  159.309  108.631   4.8264  108.631   4.8264 0.000000 0.000000 
1 1 1    8   18    1 o  283.612   7.2257 12312.07  625.495 10305.89  1511.87 12726.37  687.053  256.415   19.463  288.273   7.8085 -31.85745 20.97084 
1 1 1    8   18    2 o  347.622   15.384 18691.66  1632.23 18630.98  2310.60 18752.09  2306.04  343.960   22.126  345.139   22.005 -1.179077 31.20591 
1 1 1    8   18    3 o  307.851   19.999 14853.53  1868.96   0.0000   0.0000 14853.53  1868.96  ?   ?   307.851   19.999 0.000000 19.99874 
1 1 1    8   18    4 o  450.919   19.680 31725.14  2708.61   0.0000   0.0000 31725.14  2708.61  ?   ?   450.919   19.680 0.000000 19.68025 
1 1 1    8   18    5 o  414.087   16.350 26575.34  2066.49   0.0000   0.0000 26575.34  2066.49  ?   ?   414.087   16.350 0.000000 16.35025 
1 1 1    8   18    6 o  217.333   5.8494  7222.91  388.020  7475.35  425.598  5979.75  944.447  221.063   6.3076  195.872   15.936 25.19057 17.13857 
1 1 1    8   18    7 o  194.580   5.8979  5789.98  350.279  5212.00  411.327  7315.23  668.191  184.511   7.3038  218.287   10.029 -33.77629 12.40664 
1 1 1    8   18    8 o  338.610   8.4426 17572.75  872.552 16560.94  1038.33 20004.46  1609.69  328.364   10.360  359.739   14.660 -31.37549 17.95137 
1 1 1    8   18    9 o  143.128   5.1883  3131.44  226.657  3017.43  248.013  3709.19  558.321  140.470   5.7846  154.788   11.909 -14.31798 13.23956 
1 1 1    8   18   10 o  166.955   5.5114  4261.83  280.851  4140.87  307.367  4873.52  691.211  164.532   6.1205  177.349   12.857 -12.81677 14.23906 
1 1 1    8   18   11 o  113.002   7.0891  1962.52  243.270  2093.70  457.969  1910.96  287.129  115.775   13.196  111.327   8.5146 4.448273 15.70431 
1 1 1    8   18   12 o   57.416   9.3083  518.638  157.541  585.900  304.804  494.119  184.028   60.422   16.197   55.701   11.212 4.721672 19.69937 
1 1 1    8   18   13 o   70.375   4.0982  759.217   87.649  790.642   97.645  628.875  198.864   71.792   4.4785   63.104   10.707 8.687340 11.60630 
1 1 1    8   18   14 o  217.350   6.8114  7231.57  451.873  7231.57  451.873   0.0000   0.0000  217.350   6.8114  ?   ?  0.000000 6.811440 
1 1 1    8   18   15 o  137.534   5.2601  2892.08  220.810  2892.08  220.810   0.0000   0.0000  137.534   5.2601  ?   ?  0.000000 5.260072 
1 1 1    8   18   16 o  136.762   9.1769  2883.53  380.850  2725.53  536.087  3044.53  541.154  132.160   13.478  139.893   12.816 -7.732697 18.59910 
1 1 1    8   18   17 o  239.197   5.1218  8747.64  373.934  9162.85  529.991  8336.08  527.661  244.602   7.0989  233.269   7.4111 11.33284 10.26248 
1 1 1    8   18   18 o  124.244   4.7943  2359.67  181.810  2056.61  208.225  3331.97  372.968  115.793   5.9113  147.163   8.3376 -31.37076 10.22056 
1 1 1    8   18   19 o  172.021   8.1004  4537.44  425.307  4940.97  858.515  4406.19  489.609  177.610   16.009  169.099   9.5250 8.511505 18.62804 
1 1 1    8   18   20 f  190.743   5.6188  5565.37  327.120  6063.46  987.356  5503.95  346.701  196.678   16.603  189.657   5.9892 7.021149 17.64993 
1 1 1    8   18   21 f  149.557   8.0071  3439.57  364.181  3244.64  753.401  3499.01  416.012  143.154   17.614  150.683   9.0879 -7.528473 19.82046 
1 1 1    8   18   22 o  141.515   4.4920  3060.95  194.026  3197.29  227.458  2696.69  371.783  144.597   5.1538  132.180   9.2740 12.41751 10.60982 
1 1 1    8   18   23 o   71.136   3.1938  772.870   69.344  938.370  104.533  642.799   92.671   78.233   4.3955   64.672   4.7275 13.56033 6.455196 
1 1 1    8   18   24 o  119.306   4.5271  2175.71  164.855  2097.35  190.919  2405.39  326.847  117.101   5.3416  124.892   8.6271 -7.790451 10.14690 
1 1 1    8   18   25 o  226.438   5.6568  7844.67  390.964  8419.95  1116.22  7764.23  417.405  232.105   15.851  225.232   6.0717 6.874054 16.97394 
1 1 1    8   18   26 o  340.634   7.5934 17788.20  789.481 17890.08  1007.24 17625.90  1271.29  341.128   9.6738  337.830   12.329 3.298767 15.67128 
1 1 1    8   18   27 o  181.361   3.3932  5024.23  187.834  4934.49  249.321  5142.04  285.642  179.669   4.5464  183.369   5.1036 -3.700562 6.834985 
1 1 1    8   18   28 o  233.967   4.9913  8370.69  356.442  8380.70  373.542  8268.78  1191.70  234.085   5.2282  229.497   17.136 4.587067 17.91603 
1 1 1    8   18   29 o  141.967   4.2184  3080.27  182.788  3080.27  182.788   0.0000   0.0000  141.967   4.2184  ?   ?  0.000000 4.218356 
1 1 1    8   18   30 o  146.096   3.8352  3261.35  171.021  3836.11  258.635  2814.77  227.976  158.357   5.3510  135.638   5.5067 22.71861 7.678313 
1 1 1    8   18   31 o  269.286   5.0002 11090.22  410.980 11092.54  471.569 11082.89  838.111  269.223   5.7387  268.287   10.235 0.9357605 11.73398 
1 1 1    8   18   32 o  358.667   6.2112 19699.00  679.965 20379.53  1009.96 19134.78  919.612  364.106   9.0878  352.962   8.5361 11.14441 12.46808 
1 1 1    8   18   33 o   66.904   11.449  710.056  225.389  1004.12  771.354  682.604  235.674   80.046   26.813   65.407   12.255 14.63921 29.48139 
1 1 1    8   18   34 f  105.203   9.1992  1715.40  292.421  1786.29  867.052  1706.30  310.620  102.754   27.214  104.809   9.8245 -2.054855 28.93327 
1 1 1    8   18   35 o   70.290   3.8812  757.438   82.944  600.039  135.684  851.353  104.808   62.119   7.2951   74.467   4.6342 -12.34724 8.642597 
1 1 1    8   18   36 o   94.609   2.9490  1367.26   85.159  1243.64  151.950  1423.87  102.824   89.955   5.5616   96.530   3.4899 -6.575539 6.565855 
1 1 1    8   18   37 o  168.896   4.1342  4361.72  213.120  4430.90  224.762  3745.40  670.902  170.215   4.3262  154.249   14.417 15.96558 15.05240 
1 1 1    8   18   38 o  134.731   5.0135  2778.55  206.168  2806.19  224.458  2629.40  521.423  135.364   5.4327  129.233   13.414 6.130737 14.47280 
1 1 1    8   18   39 f  221.257   7.0522  7518.46  476.257  7518.46  476.257   0.0000   0.0000  221.257   7.0522  ?   ?  0.000000 7.052243 
1 1 1    8   18   41 o   76.832   5.4555  909.379  127.104   0.0000   0.0000  909.379  127.104  ?   ?    76.832   5.4555 0.000000 5.455463 
1 1 1    8   18   42 o  101.396   9.7084  1606.94  296.785   0.0000   0.0000  1606.94  296.785  ?   ?   101.396   9.7084 0.000000 9.708357 
1 1 1    8   18   43 o  213.452   3.6247  6969.62  236.153  7411.01  408.840  6748.62  289.293  219.635   6.0987  209.904   4.5154 9.730515 7.588351 
1 1 1    8   18   44 o   91.050   3.6563  1268.54  101.612  1410.67  197.831  1217.61  118.427   95.462   6.8349   89.154   4.3520 6.307716 8.102796 
1 1 1    8   18   45 o   74.892   3.8596  861.073   87.926  982.797  181.206  823.588  100.557   79.397   7.5690   73.157   4.5256 6.240532 8.818806 
1 1 1    8   18   46 o  126.663   2.9708  2453.77  114.853  2677.58  236.736  2384.87  131.346  131.895   5.8806  124.825   3.4475 7.070061 6.816597 
1 1 1    8   18   47 o   97.418   4.4058  1456.00  131.003  1507.15  677.483  1454.01  133.523   90.764   24.064   97.341   4.4941 -6.576599 24.48020 
1 1 1    8   18   48 o   55.961   4.2464  483.218   71.990  588.443  155.882  454.691   81.164   60.857   8.6341   54.162   4.9649 6.695316 9.959845 
1 1 1    8   18   49 o   36.570   5.3101  210.137   57.539  504.590  146.906  156.781   62.535   56.157   8.8648   31.236   6.7557 24.92118 11.14560 
1 1 1    8   19    1 o  368.951   23.553 21593.86  2638.56   0.0000   0.0000 21593.86  2638.56  ?   ?   368.951   23.553 0.000000 23.55343 
1 1 1    8   19    2 o  433.690   27.516 30209.20  3623.55   0.0000   0.0000 30209.20  3623.55  ?   ?   433.690   27.516 0.000000 27.51647 
1 1 1    8   19    3 o  431.983   27.418 29966.59  3596.36   0.0000   0.0000 29966.59  3596.36  ?   ?   431.983   27.418 0.000000 27.41807 
1 1 1    8   19    4 o  227.630   6.3101  7928.12  438.414  8015.05  480.692  7498.14  1069.08  228.818   6.8827  219.259   16.087 9.559280 17.49768 
1 1 1    8   19    5 o  298.680   8.6159 13680.61  785.461 12823.58  863.273 17802.06  1893.11  288.970   9.7877  337.326   18.457 -48.35620 20.89148 
1 1 1    8   19    6 o  346.636   9.1355 18438.26  966.551 18247.99  1063.17 19344.67  2320.52  344.632   10.107  349.952   21.834 -5.320435 24.05983 
1 1 1    8   19    7 o  213.001   5.8426  6939.64  379.847  7116.31  416.877  6075.65  921.903  215.653   6.3334  197.398   15.424 18.25465 16.67343 
1 1 1    8   19    8 o  213.451   8.8163  6989.49  574.381  5826.83  985.496  7587.62  706.852  192.857   16.913  222.167   10.424 -29.30942 19.86692 
1 1 1    8   19    9 o  286.007   10.578 12578.55  923.419 11586.70  1598.34 13075.47  1131.33  271.444   19.420  291.109   12.733 -19.66525 23.22189 
1 1 1    8   19   10 o   76.010   7.9026  894.937  180.659  728.393  337.509  961.816  213.878   67.149   16.569   78.652   9.0758 -11.50291 18.89203 
1 1 1    8   19   11 o   63.766   4.6097  624.677   89.113  633.605   98.894  586.120  205.516   64.176   5.0905   60.714   11.512 3.461845 12.58684 
1 1 1    8   19   12 o  146.978   5.4643  3303.75  245.136  3303.75  245.136   0.0000   0.0000  146.978   5.4643  ?   ?  0.000000 5.464341 
1 1 1    8   19   13 o  327.168   9.4050 16438.90  939.175 16438.90  939.175   0.0000   0.0000  327.168   9.4050  ?   ?  0.000000 9.405011 
1 1 1    8   19   14 o  110.528   13.699  1917.38  452.240  1917.38  452.240   0.0000   0.0000  110.528   13.699  ?   ?  0.000000 13.69891 
1 1 1    8   19   15 o  286.289   10.589 12611.72  925.271 12719.31  1608.97 12558.55  1130.99  284.512   18.631  285.093   12.997 -0.5812378 22.71663 
1 1 1    8   19   16 o   97.554   4.0674  1454.16  121.108  1518.27  138.078  1240.35  252.147   99.666   4.5390   89.377   9.3829 10.28865 10.42315 
1 1 1    8   19   17 o   91.576   14.229  1328.66  384.792   0.0000   0.0000  1328.66  384.792  ?   ?    91.576   14.229 0.000000 14.22851 
1 1 1    8   19   18 o  208.980   10.650  6739.91  677.049   0.0000   0.0000  6739.91  677.049  ?   ?   208.980   10.650 0.000000 10.64978 
1 1 1    8   19   19 o  231.241   11.288  8241.10  796.741   0.0000   0.0000  8241.10  796.741  ?   ?   231.241   11.288 0.000000 11.28847 
1 1 1    8   19   20 o  131.191   3.6355  2629.33  145.574  2718.11  216.222  2555.71  196.880  133.310   5.3140  129.283   4.9894 4.026932 7.289178 
1 1 1    8   19   21 o  220.008   8.8012  7432.06  591.015  8417.05  1038.48  6960.19  718.771  232.431   14.714  212.240   11.134 20.19025 18.45204 
1 1 1    8   19   22 o   70.057   4.2583  752.847   90.624  799.320  100.728  555.449  207.596   72.165   4.5970   58.960   11.945 13.20496 12.79901 
1 1 1    8   19   23 o  147.867   4.6080  3342.44  207.971  3420.43  242.921  3128.38  402.448  149.540   5.3222  142.385   9.3117 7.155014 10.72537 
1 1 1    8   19   24 o  280.157   6.4496 12018.12  551.509 12207.07  642.502 11489.16  1075.03  282.193   7.4595  272.560   12.922 9.632172 14.92080 
1 1 1    8   19   25 o  133.745   3.1394  2732.07  128.158  2622.59  166.303  2892.15  201.102  130.999   4.1592  137.535   4.7906 -6.536148 6.344183 
1 1 1    8   19   26 o  149.612   3.7706  3420.00  172.187  3480.98  187.512  3092.01  434.872  150.926   4.0705  141.391   10.144 9.534576 10.93041 
1 1 1    8   19   27 o  356.035   8.6401 19465.38  938.915 19435.36  1017.61 19637.33  2435.02  355.565   9.3766  350.502   22.887 5.062805 24.73307 
1 1 1    8   19   28 o  254.584   7.1684  9934.51  557.018  9741.84  607.626 10948.78  1394.12  251.986   7.9003  263.937   17.403 -11.95152 19.11237 
1 1 1    8   19   29 o   93.955   3.5380  1348.66  101.460  1632.74  194.972  1243.17  118.815  103.073   6.2266   90.181   4.3166 12.89172 7.576524 
1 1 1    8   19   30 f  287.451   4.7846 12636.08  419.786 13093.66  481.773 11193.21  855.506  292.527   5.3958  269.509   10.400 23.01877 11.71644 
1 1 1    8   19   31 o  369.418   11.061 21065.51  1247.22 24002.63  2590.64 20179.34  1422.99  387.356   22.003  360.819   12.921 26.53693 25.51598 
1 1 1    8   19   32 o  136.080   3.5101  2829.42  145.792  3275.75  880.693  2816.85  147.832  142.188   20.918  135.775   3.5672 6.413284 21.22010 
1 1 1    8   19   33 o  354.667   7.6743 19312.31  830.762 19763.54  966.248 18033.18  1626.83  358.439   8.8319  339.502   15.699 18.93695 18.01316 
1 1 1    8   19   34 o  114.231   9.0320  2021.03  312.340  2335.00  478.762  1788.37  412.123  121.923   13.069  106.560   12.936 15.36257 18.38874 
1 1 1    8   19   35 o  224.681   4.6833  7723.25  321.171  8343.69  446.836  7060.13  461.948  233.302   6.2750  214.482   7.0564 18.82016 9.442927 
1 1 1    8   19   36 o  106.220   5.8020  1733.92  187.392  1835.20  215.480  1419.61  379.588  109.193   6.4947   94.517   13.545 14.67643 15.02176 
1 1 1    8   19   37 o  198.480   4.2703  6026.09  258.698  6232.06  391.472  5866.41  344.687  201.557   6.3634  195.644   5.7722 5.912781 8.591311 
1 1 1    8   19   38 o  100.648   3.3029  1548.28  101.464  1443.30  516.995  1552.48  103.476   93.531   18.763  100.782   3.3639 -7.251099 19.06172 
1 1 1    8   19   39 o   26.996   6.0037  116.199   48.191  178.188   91.542   92.434   56.680   33.386   8.8428   24.325   7.1561 9.061907 11.37567 
1 1 1    8   19   40 o  211.836   4.3787  6869.51  283.112  5960.87  992.264  6950.04  295.390  192.516   17.064  213.048   4.5426 -20.53297 17.65781 
1 1 1    8   19   41 o  108.274   3.4390  1792.85  113.653  2024.99  172.940  1616.37  150.786  114.945   4.9293  102.705   4.8101 12.23969 6.887341 
1 1 1    8   19   42 o  158.732   3.7871  3855.94  183.480  3777.30  925.450  3859.16  187.196  150.097   20.756  158.790   3.8624 -8.692566 21.11234 
1 1 1    8   19   43 o   90.834   3.8534  1263.21  106.835  1438.09  205.448  1198.39  125.076   96.309   7.0378   88.286   4.6581 8.023010 8.439647 
1 1 1    8   19   44 o   78.526   3.9239  944.534   94.047  898.988  188.886  959.547  108.445   75.693   8.3126   78.973   4.5177 -3.279991 9.460933 
1 1 1    8   19   45 o  107.104   3.7165  1757.07  121.495  1410.66  215.130  1919.30  147.219   95.161   7.4666  111.869   4.3116 -16.70728 8.622073 
1 1 1    8   19   46 o   71.669   8.5632  811.157  183.612  1082.01  684.036  790.126  190.607   76.813   25.232   70.582   9.0565 6.231056 26.80838 
1 1 1    8   19   47 o   77.192   11.032  960.919  252.539   0.0000   0.0000  960.919  252.539  ?   ?    77.192   11.032 0.000000 11.03242 
1 1 1    8   20    0 o  332.431   9.5180 16956.60  963.961 16956.60  963.961 16956.60  963.961  332.431   9.5180  332.431   9.5180 0.000000 0.000000 
1 1 1    8   20    3 o  199.725   6.4132  6105.76  390.949  6105.76  390.949   0.0000   0.0000  199.725   6.4132  ?   ?  0.000000 6.413158 
1 1 1    8   20    4 o  180.344   6.0210  4976.62  331.429  4976.62  331.429   0.0000   0.0000  180.344   6.0210  ?   ?  0.000000 6.021035 
1 1 1    8   20    5 o  140.189   5.1049  3004.99  218.434  2884.32  237.286  3675.17  559.209  137.316   5.6615  153.925   11.998 -16.60893 13.26627 
1 1 1    8   20    6 o  121.287   4.8061  2248.79  177.920  2191.58  192.953  2573.63  459.767  119.713   5.2807  128.673   11.839 -8.960335 12.96373 
1 1 1    8   20    7 o  146.370   7.4678  3291.52  332.520  2888.00  567.331  3502.68  410.402  135.926   13.869  150.790   8.9573 -14.86426 16.51005 
1 1 1    8   20    8 o  111.565   7.6923  1916.84  260.340  1770.23  443.922  1993.70  321.415  106.039   14.063  113.550   9.3572 -7.510429 16.89138 
1 1 1    8   20    9 o  140.010   7.6839  3013.79  327.112  2300.82  566.611  3370.20  400.615  120.705   15.755  147.900   8.9161 -27.19567 18.10327 
1 1 1    8   20   10 o  264.210   17.806 10954.66  1427.59 10954.66  1427.59   0.0000   0.0000  264.210   17.806  ?   ?  0.000000 17.80644 
1 1 1    8   20   11 o  391.233   11.012 23575.62  1314.99 23575.62  1314.99   0.0000   0.0000  391.233   11.012  ?   ?  0.000000 11.01212 
1 1 1    8   20   12 o  218.632   6.8657  7321.30  458.158  7321.30  458.158   0.0000   0.0000  218.632   6.8657  ?   ?  0.000000 6.865704 
1 1 1    8   20   13 o  232.174   11.513  8311.20  815.897  8250.64  1151.64  8372.23  1156.08  229.527   16.550  231.243   16.488 -1.715607 23.36084 
1 1 1    8   20   14 o  369.015   13.189 21064.50  1485.54 20826.49  2582.89 21182.16  1815.95  360.975   23.572  368.817   16.132 -7.842285 28.56361 
1 1 1    8   20   15 o  285.025   10.829 12512.81  942.115   0.0000   0.0000 12512.81  942.115  ?   ?   285.025   10.829 0.000000 10.82938 
1 1 1    8   20   16 o   33.619   12.659  128.563  176.723   0.0000   0.0000  128.563  176.723  ?   ?    33.619   12.659 0.000000 12.65853 
1 1 1    8   20   17 o  114.478   13.671  2057.29  468.233   0.0000   0.0000  2057.29  468.233  ?   ?   114.478   13.671 0.000000 13.67095 
1 1 1    8   20   18 o  402.937   17.703 25402.71  2177.19 26060.36  3082.56 24748.07  3075.47  402.388   25.226  391.562   25.879 10.82565 36.13986 
1 1 1    8   20   19 o  248.305   7.1650  9448.32  543.024  8188.60  644.219 12540.13  1009.26  230.861   9.1425  285.108   11.598 -54.24792 14.76804 
1 1 1    8   20   20 o  258.530   4.6919 10218.35  370.236 10539.64  407.389  8693.97  887.375  262.522   5.0842  236.921   12.314 25.60097 13.32199 
1 1 1    8   20   21 o  122.378   4.7999  2289.85  179.289  2288.52  211.100  2293.28  339.632  122.298   5.6553  121.825   9.2018 0.4729462 10.80066 
1 1 1    8   20   22 o  274.953   5.4354 11565.28  456.147 11422.46  501.768 12245.29  1094.88  273.175   6.0179  281.392   12.748 -8.217224 14.09688 
1 1 1    8   20   23 o  180.455   3.6514  4975.14  201.114  5324.41  222.111  3385.43  473.855  186.667   3.8984  147.889   10.567 38.77800 11.26338 
1 1 1    8   20   24 o  256.548   6.1810 10076.78  483.996 10143.53  566.262  9895.79  932.395  257.247   7.2119  253.092   12.070 4.154709 14.06039 
1 1 1    8   20   25 o  221.699   4.8714  7516.23  329.639  7630.23  468.420  7404.38  463.971  223.148   6.8774  219.816   6.9154 3.332199 9.753008 
1 1 1    8   20   26 o  183.078   5.3472  5128.03  298.798  5026.50  348.880  5407.48  578.808  181.167   6.3093  187.116   10.173 -5.948715 11.97054 
1 1 1    8   20   27 o  203.846   3.8422  6349.99  239.058  6439.81  308.846  6215.73  377.575  205.194   4.9313  201.471   6.1401 3.723450 7.875163 
1 1 1    8   20   28 o   28.487   7.7167  128.644   68.758  137.884   72.389   43.409  219.866   29.469   7.8907   32.523   13.492 -3.054129 15.63026 
1 1 1    8   20   29 o   73.447   10.197  846.943  222.431  846.943  222.431   0.0000   0.0000   73.447   10.197  ?   ?  0.000000 10.19719 
1 1 1    8   20   30 o  118.616   10.878  2190.38  389.461  2709.85  916.563  2075.92  430.232  127.663   24.412  115.095   12.445 12.56765 27.40118 
1 1 1    8   20   31 o  177.221   20.411  5059.54  1083.88  5059.54  1083.88   0.0000   0.0000  177.221   20.411  ?   ?  0.000000 20.41075 
1 1 1    8   20   32 o  222.420   4.5215  7566.87  306.954  8628.31  426.963  6431.38  441.603  237.322   5.8943  204.721   7.0673 32.60011 9.202704 
1 1 1    8   20   33 o  171.837   4.3520  4516.23  228.258  4959.42  269.241  3383.66  430.401  180.018   4.9001  147.811   9.5919 32.20685 10.77102 
1 1 1    8   20   34 o   73.436   3.4869  824.236   78.157  868.344  133.644  801.310   96.352   75.044   5.8817   72.243   4.3905 2.800858 7.339691 
1 1 1    8   20   35 o   75.398   3.3787  868.877   77.754  1170.17  138.000  728.742   94.116   87.256   5.2053   68.865   4.5024 18.39132 6.882362 
1 1 1    8   20   36 o  303.541   6.5885 14146.63  610.412 14884.56  1754.44 14045.00  651.090  304.216   18.990  302.315   7.0561 1.901031 20.25818 
1 1 1    8   20   37 o   76.379   3.6722  892.102   85.609  683.519  142.755  1009.24  106.980   66.290   7.1697   81.092   4.3380 -14.80133 8.379889 
1 1 1    8   20   38 f  214.931   11.062  7208.08  723.210   0.0000   0.0000  7208.08  723.210  ?   ?   214.931   11.062 0.000000 11.06171 
1 1 1    8   20   39 o   37.539   8.2328  225.965   91.734   0.0000   0.0000  225.965   91.734  ?   ?    37.539   8.2328 0.000000 8.232845 
1 1 1    8   20   40 o  174.147   6.5441  4666.81  347.840  4686.05  633.479  4658.50  416.195  172.398   12.116  173.677   7.8513 -1.278854 14.43725 
1 1 1    8   20   41 o  105.757   3.1680  1710.58  102.261  2187.38  808.487  1702.83  103.089  111.072   24.505  105.515   3.2010 5.556938 24.71348 
1 1 1    8   20   42 o   84.383   2.9340  1088.89   75.566  1286.57  195.333  1054.10   81.947   91.009   7.0878   83.006   3.2345 8.003609 7.790932 
1 1 1    8   20   43 o  126.021   4.1600  2434.67  160.011  2382.50  252.010  2469.90  207.117  124.049   6.6805  126.742   5.3540 -2.693253 8.561244 
1 1 1    8   20   44 o  233.377   4.9872  8371.25  355.249  8667.76  543.056  8149.44  469.689  236.407   7.5261  229.610   6.7020 6.797150 10.07759 
1 1 1    8   20   45 o  121.087   3.9010  2248.22  144.175  2134.80  245.680  2307.80  178.059  117.212   6.8976  122.539   4.7607 -5.327461 8.381017 
1 1 1    8   20   46 o   72.474   3.5808  805.048   79.211  987.164  704.014  802.713   79.717   72.980   25.579   72.366   3.6091 0.6134491 25.83268 
1 1 1    8   21    0 o  131.657   5.1434  2659.84  205.969  2659.84  205.969  2659.84  205.969  131.657   5.1434  131.657   5.1434 0.000000 0.000000 
1 1 1    8   21    1 o  105.616   3.4016  1703.90  109.656  1520.81  152.959  1897.48  157.285   99.599   5.0480  111.411   4.6253 -11.81255 6.846631 
1 1 1    8   21    2 o  188.478   4.2935  5429.21  246.996  4503.21  348.323  6365.71  350.295  171.479   6.6551  203.981   5.6264 -32.50146 8.714708 
1 1 1    8   21    3 o  243.524   5.2125  9069.86  387.441  9273.12  548.060  8866.80  547.791  245.985   7.2996  240.513   7.4621 5.472107 10.43873 
1 1 1    8   21    4 o  199.892   6.4322  6117.82  392.437  6117.82  392.437   0.0000   0.0000  199.892   6.4322  ?   ?  0.000000 6.432168 
1 1 1    8   21    5 o  246.592   7.4696  9320.97  562.203  9320.97  562.203   0.0000   0.0000  246.592   7.4696  ?   ?  0.000000 7.469601 
1 1 1    8   21    7 o  198.515   15.047  6155.79  904.968  6155.79  904.968   0.0000   0.0000  198.515   15.047  ?   ?  0.000000 15.04747 
1 1 1    8   21    8 o   57.096   17.345  513.217  328.947  513.217  328.947   0.0000   0.0000   57.096   17.345  ?   ?  0.000000 17.34541 
1 1 1    8   21    9 o   41.853   16.367  168.187  303.234  168.187  303.234   0.0000   0.0000   41.853   16.367  ?   ?  0.000000 16.36730 
1 1 1    8   21   10 o  254.047   7.2097  9890.86  559.051  9536.61  611.491 11694.55  1379.80  249.330   8.0352  273.319   16.619 -23.98888 18.45926 
1 1 1    8   21   11 o  241.944   7.0044  8968.95  517.250  8538.36  564.755 11210.24  1288.48  235.947   7.8420  267.881   15.829 -31.93410 17.66508 
1 1 1    8   21   12 o  175.915   5.2097  4733.19  279.726  4457.72  326.357  5495.84  543.026  170.635   6.2662  189.087   9.4090 -18.45206 11.30461 
1 1 1    8   21   13 o  341.484   15.039 18125.30  1567.52   0.0000   0.0000 18125.30  1567.52  ?   ?   341.484   15.039 0.000000 15.03926 
1 1 1    8   21   14 o  138.694   9.1778  2968.56  386.323   0.0000   0.0000  2968.56  386.323  ?   ?   138.694   9.1778 0.000000 9.177791 
1 1 1    8   21   15 o  208.527   8.7249  6677.63  555.316   0.0000   0.0000  6677.63  555.316  ?   ?   208.527   8.7249 0.000000 8.724894 
1 1 1    8   21   16 o  311.287   7.4950 14856.46  712.109 14888.41  846.830 14779.31  1315.86  311.324   8.9118  308.723   13.964 2.601227 16.56582 
1 1 1    8   21   17 o  327.805   11.935 16592.50  1194.14 17524.59  2076.68 16132.05  1459.58  332.525   20.562  322.199   14.842 10.32562 25.35887 
1 1 1    8   21   18 o  184.554   10.115  5257.62  567.616  5368.16  784.612  5136.24  822.164  185.551   13.956  181.177   15.002 4.374222 20.49022 
1 1 1    8   21   19 o  186.776   6.7400  5344.26  384.236  3910.88  418.013 13153.91  975.718  159.355   8.6263  292.116   10.943 -132.7612 13.93454 
1 1 1    8   21   20 f  171.270   5.3882  4487.66  281.671  4535.30  305.347  4215.69  729.559  172.142   5.8115  164.074   14.725 8.067444 15.83017 
1 1 1    8   21   21 o  277.836   6.8639 11828.52  582.071 11828.52  582.071   0.0000   0.0000  277.836   6.8639  ?   ?  0.000000 6.863881 
1 1 1    8   21   22 o  321.457   6.0256 15820.47  591.203 15690.96  651.145 16428.32  1410.68  320.024   6.6662  325.218   14.211 -5.193939 15.69716 
1 1 1    8   21   23 o  232.593   6.5895  8288.49  467.805  8266.77  513.482  8394.52  1134.60  232.194   7.2453  231.301   16.173 0.8929901 17.72169 
1 1 1    8   21   24 o  205.518   4.9512  6460.56  310.586  6460.56  310.586   0.0000   0.0000  205.518   4.9512  ?   ?  0.000000 4.951231 
1 1 1    8   21   25 o  158.561   5.7211  3848.79  276.880  3848.79  276.880   0.0000   0.0000  158.561   5.7211  ?   ?  0.000000 5.721094 
1 1 1    8   21   26 o  198.809   6.0241  6053.39  365.551  6053.39  365.551   0.0000   0.0000  198.809   6.0241  ?   ?  0.000000 6.024147 
1 1 1    8   21   27 o  152.710   3.2696  3562.83  152.400  3921.00  197.205  3031.76  240.132  160.157   4.0342  140.723   5.5907 19.43399 6.894239 
1 1 1    8   21   28 o  109.206   6.3021  1833.68  209.171  1980.52  255.325  1533.99  364.753  113.351   7.4208   98.730   12.376 14.62146 14.43037 
1 1 1    8   21   29 o   81.793   3.0430  1022.02   75.969  919.898  234.435  1034.00   80.302   76.530   10.298   82.266   3.1981 -5.736176 10.78282 
1 1 1    8   21   30 o   25.860   7.7183  103.896   65.559  136.258   77.991   25.964  121.029   29.386   8.3193   24.301   10.040 5.085743 13.03883 
1 1 1    8   21   31 o  161.452   3.7523  3984.88  184.907  5328.36  705.801  3885.87  191.599  184.682   12.596  159.420   3.9376 25.26228 13.19732 
1 1 1    8   21   32 o  310.265   5.3645 14745.12  508.017 15884.49  756.200 13807.93  685.831  321.402   7.7085  299.719   7.4970 21.68246 10.75295 
1 1 1    8   21   33 o   63.845   3.4599  624.897   67.171  847.448  119.742  522.710   81.139   74.187   5.3235   58.261   4.6003 15.92622 7.035811 
1 1 1    8   21   34 o  210.784   3.6857  6793.82  237.122  7472.46  430.945  6499.14  283.975  220.626   6.3995  206.061   4.5151 14.56491 7.832010 
1 1 1    8   21   35 o  102.502   2.7872  1605.35   87.199  1854.92  168.127  1513.51  101.989  110.034   5.0060   99.499   3.3583 10.53484 6.028129 
1 1 1    8   21   36 o   94.250   4.3965  1360.03  126.474  1479.35  512.112  1352.28  130.517   94.413   18.433   93.970   4.5505 0.4425201 18.98602 
1 1 1    8   21   37 o  268.830   4.4465 11068.70  364.847 11481.92  466.607 10418.59  585.269  273.519   5.5892  260.004   7.3749 13.51495 9.253568 
1 1 1    8   21   38 o  133.501   3.0048  2724.78  122.438  3031.42  247.186  2625.09  140.943  140.477   5.7650  130.992   3.5252 9.484802 6.757398 
1 1 1    8   21   39 o   99.454   3.0076  1512.46   91.296  1547.47  133.030  1481.29  125.521  100.492   4.3371   98.333   4.1822 2.158478 6.025036 
1 1 1    8   21   40 o  193.548   4.1648  5740.70  246.035  7818.46  1141.90  5639.55  251.953  218.117   17.294  191.808   4.3036 26.30881 17.82156 
1 1 1    8   21   41 o  120.451   3.3738  2220.78  124.036  2576.69  875.334  2213.48  125.300  119.098   24.882  120.248   3.4139 -1.150917 25.11510 
1 1 1    8   21   42 o  149.039   4.9308  3413.56  224.302  3546.84  302.321  3250.36  334.543  151.523   6.5369  144.551   7.6093 6.971451 10.03160 
1 1 1    8   21   43 o  178.853   4.8475  4917.55  264.628  5115.88  345.099  4634.49  412.280  182.000   6.2123  172.625   7.8248 9.374908 9.991011 
1 1 1    8   21   44 o   46.107   6.2005  334.270   85.047  297.985  167.141  346.946   98.793   42.568   12.222   46.772   7.1471 -4.204075 14.15825 
1 1 1    8   22    0 o  263.372   17.920 10854.60  1425.19 10854.60  1425.19 10854.60  1425.19  263.372   17.920  263.372   17.920 0.000000 0.000000 
1 1 1    8   22    1 o  342.633   15.305 18264.60  1600.54 17993.65  2260.95 18536.77  2266.06  335.940   22.175  341.186   21.875 -5.245789 31.14906 
1 1 1    8   22    2 o  267.915   12.548 11097.55  1026.11 13195.87  1451.29  9000.07  1450.99  290.376   16.442  238.096   20.156 52.28043 26.01139 
1 1 1    8   22    3 o  234.693   11.279  8494.84  807.967  6811.90  1138.79 10200.71  1146.52  207.722   18.144  255.832   14.745 -48.10983 23.37982 
1 1 1    8   22    4 o  330.341   8.6254 16756.87  869.683 16742.92  955.819 16823.97  2096.30  329.990   9.4898  325.369   21.225 4.621735 23.24980 
1 1 1    8   22    5 o  186.457   4.7586  5315.72  270.815  5874.49  295.638  2401.25  675.188  195.997   4.9419  122.403   18.663 73.59478 19.30612 
1 1 1    8   22    6 o  141.199   5.3569  3049.91  230.868  3049.91  230.868   0.0000   0.0000  141.199   5.3569  ?   ?  0.000000 5.356914 
1 1 1    8   22    7 o  135.604   5.2994  2812.88  219.338  2812.88  219.338   0.0000   0.0000  135.604   5.2994  ?   ?  0.000000 5.299357 
1 1 1    8   22    8 o  252.689   12.309  9867.72  949.309  9750.93  1320.02  9992.82  1366.22  249.052   17.476  251.964   17.881 -2.912247 25.00265 
1 1 1    8   22    9 o  317.401   14.397 15641.10  1394.75 14929.85  1957.80 16374.07  1987.48  306.503   21.055  321.452   20.362 -14.94904 29.29037 
1 1 1    8   22   10 o  264.909   18.732 11074.60  1504.80   0.0000   0.0000 11074.60  1504.80  ?   ?   264.909   18.732 0.000000 18.73156 
1 1 1    8   22   12 o  233.838   17.098  8592.79  1211.89   0.0000   0.0000  8592.79  1211.89  ?   ?   233.838   17.098 0.000000 17.09824 
1 1 1    8   22   13 o  131.593   10.236  2681.88  407.893  2022.18  547.758  3503.05  611.127  112.739   16.399  149.769   13.514 -37.03040 21.25012 
1 1 1    8   22   14 o  143.479   8.6422  3173.02  376.702  4069.53  622.241  2654.34  473.289  161.705   12.710  130.547   12.013 31.15820 17.48829 
1 1 1    8   22   15 o   96.087   4.4531  1411.44  130.601  1416.64  138.645  1370.48  389.087   96.254   4.7192   92.961   14.160 3.293190 14.92592 
1 1 1    8   22   16 o  173.852   5.5915  4625.15  296.704  4412.94  318.685  6006.26  813.002  169.768   6.1502  196.345   13.651 -26.57686 14.97245 
1 1 1    8   22   17 o  213.974   10.816  7076.94  704.106  6250.55  966.250  8012.58  1028.14  199.537   16.000  226.442   14.960 -26.90509 21.90429 
1 1 1    8   22   18 o  268.320   12.538 11142.24  1026.79 10254.25  1438.00 12065.93  1466.62  254.664   18.629  276.926   17.441 -22.26253 25.51923 
1 1 1    8   22   19 o  107.332   4.8002  1761.82  157.257  1712.25  166.147  2188.11  487.265  105.795   5.1453  117.960   13.794 -12.16481 14.72249 
1 1 1    8   22   20 f  255.895   7.1370 10040.80  557.434  9929.09  610.283 10603.23  1369.41  254.339   7.8614  259.418   17.396 -5.079269 19.08948 
1 1 1    8   22   21 f  154.968   13.956  3761.42  653.040  3761.42  653.040   0.0000   0.0000  154.968   13.956  ?   ?  0.000000 13.95610 
1 1 1    8   22   22 o  272.785   8.1276 11429.54  676.708 11429.54  676.708   0.0000   0.0000  272.785   8.1276  ?   ?  0.000000 8.127618 
1 1 1    8   22   23 o  175.785   6.0275  4733.01  323.395  4733.01  323.395   0.0000   0.0000  175.785   6.0275  ?   ?  0.000000 6.027462 
1 1 1    8   22   24 o  196.074   5.1776  5883.49  309.860  6082.50  367.422  5393.38  576.601  199.262   6.0412  186.724   10.155 12.53799 11.81641 
1 1 1    8   22   25 o  169.562   3.7431  4394.39  193.719  4604.83  215.833  3522.37  439.348  173.550   4.0745  150.882   9.5899 22.66878 10.41962 
1 1 1    8   22   26 o  267.048   6.3545 10932.63  517.948 11546.50  628.204  9629.45  915.301  274.199   7.5062  249.181   12.035 25.01842 14.18360 
1 1 1    8   22   27 o  145.588   4.8640  3243.66  216.139   0.0000   0.0000  3243.66  216.139  ?   ?   145.588   4.8640 0.000000 4.863977 
1 1 1    8   22   28 o  289.466   7.0309 12864.59  621.192   0.0000   0.0000 12864.59  621.192  ?   ?   289.466   7.0309 0.000000 7.030889 
1 1 1    8   22   29 o  273.661   5.3489 11470.98  446.783   0.0000   0.0000 11470.98  446.783  ?   ?   273.661   5.3489 0.000000 5.348932 
1 1 1    8   22   30 o  263.333   3.6290 10601.54  291.679 10904.85  429.787 10342.56  397.138  266.809   5.2776  259.888   5.0065 6.921051 7.274493 
1 1 1    8   22   31 o  316.772   6.1619 15396.79  595.774   0.0000   0.0000 15396.79  595.774  ?   ?   316.772   6.1619 0.000000 6.161944 
1 1 1    8   22   32 o  127.693   4.1634  2494.97  162.269  2666.04  184.087  1898.86  343.633  131.963   4.5704  110.195   10.338 21.76836 11.30293 
1 1 1    8   22   33 o  140.909   5.2568  3043.74  226.087  2986.16  240.233  3489.91  668.720  139.522   5.6412  147.857   15.027 -8.335175 16.05063 
1 1 1    8   22   34 o  196.622   5.5419  5931.66  332.592  5831.33  390.180  6198.30  636.075  194.743   6.5643  199.363   10.490 -4.620407 12.37459 
1 1 1    8   22   35 o   75.470   3.7566  871.553   86.533  904.035  128.554  844.642  117.011   76.548   5.5397   74.024   5.2121 2.523247 7.606181 
1 1 1    8   22   36 o   54.750   3.9597  461.304   65.724  627.148  161.201  428.238   71.979   63.073   8.5974   52.670   4.5212 10.40323 9.713745 
1 1 1    8   22   37 f  103.757   4.0342  1648.95  127.760  1829.39  159.603  1327.09  213.165  109.204   4.7883   92.345   7.6312 16.85950 9.009071 
1 1 1    8   22   38 o  266.076   4.9975 10870.88  405.855 11279.86  618.062 10560.83  538.134  270.002   7.4998  261.599   6.7397 8.402649 10.08313 
1 1 1    8   22   39 f   51.702   4.2091  412.565   65.846  592.760  185.850  386.699   70.413   60.660   10.413   49.977   4.6702 10.68319 11.41225 
1 1 1    8   22   40 o   91.027   7.0103  1289.93  193.272  1660.93  794.484  1266.59  199.258   93.258   26.605   90.118   7.3070 3.139854 27.59056 
1 1 1    8   22   41 o  124.364   8.5290  2425.07  321.792  2907.39  866.960  2348.01  346.548  126.453   23.321  122.025   9.3763 4.428368 25.13566 
1 1 1    8   22   42 o  121.383   13.237  2404.86  482.467  2261.14  878.502  2466.93  577.323  107.456   26.859  121.217   15.995 -13.76104 31.26078 
1 1 1    8   23    0 o  316.730   20.770 15750.42  1988.13 15750.42  1988.13 15750.42  1988.13  316.730   20.770  316.730   20.770 0.000000 0.000000 
1 1 1    8   23    1 o  311.047   14.179 15021.72  1346.10 15340.77  1903.21 14702.36  1904.14  311.054   20.155  304.217   20.629 6.837341 28.84024 
1 1 1    8   23    2 o  312.478   14.228 15162.35  1357.04 15903.18  1917.99 14419.75  1920.29  316.847   19.934  301.029   21.032 15.81845 28.97786 
1 1 1    8   23    3 o  274.203   12.809 11637.64  1071.99 12941.31  1516.38 10335.18  1515.68  286.977   17.394  255.342   19.597 31.63507 26.20300 
1 1 1    8   23    4 o  204.079   15.246  6518.00  942.832  6518.00  942.832   0.0000   0.0000  204.079   15.246  ?   ?  0.000000 15.24640 
1 1 1    8   23    5 f  290.383   19.433 13344.30  1712.47 13344.30  1712.47   0.0000   0.0000  290.383   19.433  ?   ?  0.000000 19.43337 
1 1 1    8   23    6 o  118.597   5.1508  2151.48  186.453  2151.48  186.453   0.0000   0.0000  118.597   5.1508  ?   ?  0.000000 5.150842 
1 1 1    8   23    8 o  421.590   27.251 28991.99  3487.88   0.0000   0.0000 28991.99  3487.88  ?   ?   421.590   27.251 0.000000 27.25108 
1 1 1    8   23    9 o  409.883   26.479 27322.26  3295.00   0.0000   0.0000 27322.26  3295.00  ?   ?   409.883   26.479 0.000000 26.47929 
1 1 1    8   23   10 o  389.316   13.868 23528.11  1647.88   0.0000   0.0000 23528.11  1647.88  ?   ?   389.316   13.868 0.000000 13.86776 
1 1 1    8   23   11 o  189.402   9.9213  5537.88  571.557  5958.14  817.541  5136.09  799.373  195.460   13.792  181.175   14.579 14.28546 20.06908 
1 1 1    8   23   12 o  293.224   7.4112 13187.11  663.292 13526.65  729.126 11557.54  1597.33  296.843   8.0475  269.926   19.520 26.91693 21.11345 
1 1 1    8   23   13 o  186.779   5.6328  5339.60  321.122  5345.82  350.642  5307.21  799.598  186.836   6.1488  184.225   14.333 2.610977 15.59629 
1 1 1    8   23   14 o  190.163   8.1450  5552.91  472.754  4734.40  790.933  6007.88  589.684  173.691   15.069  197.532   9.7806 -23.84143 17.96443 
1 1 1    8   23   15 o  128.596   7.4889  2545.60  292.671  2739.87  462.397  2415.76  378.030  132.674   11.533  124.835   10.006 7.839287 15.26851 
1 1 1    8   23   16 o  134.217   4.4661  2754.45  182.958  2816.40  207.680  2539.74  386.655  135.684   5.0147  128.014   9.9745 7.669312 11.16411 
1 1 1    8   23   17 o  308.643   7.1572 14611.01  674.247 13822.94  852.265 15929.40  1102.33  299.683   9.3174  321.088   11.248 -21.40448 14.60581 
1 1 1    8   23   18 o  120.243   8.5379  2233.60  311.312  2711.03  481.082  1889.65  408.333  131.788   12.095  109.764   12.406 22.02457 17.32601 
1 1 1    8   23   19 o   17.472   7.2039   13.394   62.139   13.394   62.139   0.0000   0.0000   17.472   7.2039  ?   ?  0.000000 7.203939 
1 1 1    8   23   20 o  129.147   5.2120  2552.70  205.449  2552.70  205.449   0.0000   0.0000  129.147   5.2120  ?   ?  0.000000 5.211983 
1 1 1    8   23   21 o  142.730   13.715  3199.76  590.112  3199.76  590.112   0.0000   0.0000  142.730   13.715  ?   ?  0.000000 13.71459 
1 1 1    8   23   22 o  170.572   5.9245  4457.69  308.444  4457.69  308.444   0.0000   0.0000  170.572   5.9245  ?   ?  0.000000 5.924497 
1 1 1    8   23   23 o  163.199   5.3069  4077.95  264.347  4009.97  287.336  4452.48  674.464  161.780   5.8190  168.621   13.210 -6.841171 14.43527 
1 1 1    8   23   24 o   95.624   8.4049  1417.90  242.820  1845.24  972.985  1389.52  250.754  103.055   29.458   94.585   8.7862 8.470589 30.73990 
1 1 1    8   23   25 o  138.004   10.905  2967.41  455.617  3515.25  1027.09  2833.19  508.373  145.082   24.036  134.383   12.539 10.69936 27.10981 
1 1 1    8   23   26 o  116.658   3.9581  2081.17  140.933  2304.89  165.230  1483.82  269.993  122.738   4.4106   97.652   9.1657 25.08555 10.17166 
1 1 1    8   23   27 o  205.811   4.2182  6480.20  264.981  6629.88  293.893  5829.78  612.647  208.123   4.6265  193.745   10.398 14.37773 11.38084 
1 1 1    8   23   28 o  115.467   4.2910  2040.14  151.230  2094.12  177.483  1897.07  288.933  116.931   4.9729  110.573   8.6294 6.358162 9.959760 
1 1 1    8   23   29 o   42.895   10.650  296.768  138.793  357.669  329.171  283.599  153.064   49.769   17.488   42.023   11.568 7.746056 20.96793 
1 1 1    8   23   30 o  106.276   4.1594  1728.53  134.923  1817.19  158.005  1489.81  259.260  108.921   4.7527   97.814   8.7773 11.10641 9.981455 
1 1 1    8   23   31 o  237.515   5.6677  8657.29  410.881  8635.69  517.644  8694.06  675.522  236.827   7.1612  236.894   9.3426 -0.6666565E-01 11.77144 
1 1 1    8   23   32 o   71.627   3.8678  787.417   84.246  727.458  111.170  868.298  129.117   68.654   5.3474   74.993   5.6831 -6.338585 7.803371 
1 1 1    8   23   33 o  190.164   4.0900  5537.32  237.392  5608.57  259.568  5172.97  586.959  191.325   4.4449  181.770   10.626 9.555679 11.51807 
1 1 1    8   23   34 o   63.672   11.698  655.504  218.956  358.860  753.810  682.838  228.821   60.877   25.095   64.937   11.986 -4.060192 27.81035 
1 1 1    8   23   35 o   76.015   3.2071  883.986   74.409  974.664  119.895  827.180   94.896   79.531   4.9639   73.342   4.2575 6.189407 6.539596 
1 1 1    8   23   36 o   89.849   4.2579  1237.77  116.767  1185.87  429.332  1241.91  121.341   83.649   17.383   89.983   4.4180 -6.334015 17.93598 
1 1 1    8   23   37 o  113.028   4.7389  1961.95  163.488  2096.07  222.847  1805.64  240.583  116.385   6.2967  107.718   7.3616 8.667290 9.687132 
1 1 1    8   23   38 o   87.018   3.7409  1160.50   99.359  1210.52  193.132  1142.50  115.870   88.080   7.2482   86.158   4.4210 1.922859 8.490077 
1 1 1    8   23   39 o  100.261   5.6317  1554.66  171.642  1694.53  221.866  1346.16  270.885  104.319   7.0087   92.024   9.7948 12.29478 12.04409 
1 1 1    8   23   40 f   85.447   5.9808  1133.41  154.998  1238.61  204.438  991.178  237.705   88.892   7.6082   78.617   10.143 10.27512 12.67907 
1 1 1    8   24    0 o  368.777   23.677 21471.85  2639.88 21471.85  2639.88 21471.85  2639.88  368.777   23.677  368.777   23.677 0.000000 0.000000 
1 1 1    8   24    1 o  365.131   16.223 20851.04  1808.01 23409.88  2558.18 18297.24  2555.65  382.476   22.006  335.638   25.129 46.83813 33.40270 
1 1 1    8   24    2 o  209.754   5.7589  6735.41  368.695  7106.02  402.017  4773.75  924.903  215.404   6.1147  173.491   17.715 41.91342 18.74050 
1 1 1    8   24    3 o  291.302   8.5362 13039.44  758.967 13039.44  758.967   0.0000   0.0000  291.302   8.5362  ?   ?  0.000000 8.536160 
1 1 1    8   24    6 o   75.224   15.420  913.838  342.164   0.0000   0.0000  913.838  342.164  ?   ?    75.224   15.420 0.000000 15.42050 
1 1 1    8   24    7 o  132.545   13.080  2750.43  522.270   0.0000   0.0000  2750.43  522.270  ?   ?   132.545   13.080 0.000000 13.08029 
1 1 1    8   24    8 o  109.047   4.8178  1818.83  160.353  1788.73  172.523  2009.88  434.641  108.119   5.2279  113.172   12.808 -5.052773 13.83411 
1 1 1    8   24    9 o  243.662   6.9888  9104.25  519.768  8943.59  570.722  9885.35  1258.43  241.370   7.7468  250.654   16.542 -9.283691 18.26608 
1 1 1    8   24   10 o  183.200   5.5667  5137.79  311.275  5160.75  341.096  5023.43  761.222  183.554   6.0883  179.165   14.032 4.388443 15.29606 
1 1 1    8   24   11 o  132.299   9.0471  2705.44  363.136  2987.85  543.620  2477.88  487.978  138.159   13.046  125.747   12.897 12.41167 18.34430 
1 1 1    8   24   12 o  247.331   17.429  9668.45  1307.35  9668.45  1307.35   0.0000   0.0000  247.331   17.429  ?   ?  0.000000 17.42945 
1 1 1    8   24   13 o  312.003   7.3960 14940.62  704.330 14580.16  833.379 15841.72  1317.66  307.836   8.8696  319.166   13.526 -11.33032 16.17480 
1 1 1    8   24   14 o  384.238   8.5386 22705.25  1001.39 21458.18  1271.88 24738.99  1624.23  372.517   11.186  398.882   13.341 -26.36545 17.41014 
1 1 1    8   24   15 o  270.885   9.8120 11314.83  811.254  8978.86  1383.55 12538.80  1001.48  237.156   19.281  284.603   11.529 -47.44702 22.46451 
1 1 1    8   24   16 o  396.597   9.3537 24235.95  1132.27 23627.19  1345.85 25710.48  2094.62  390.734   11.285  404.068   16.984 -13.33417 20.39114 
1 1 1    8   24   17 f  232.605   5.9460  8290.07  422.143  8197.08  498.534  8525.69  793.563  231.107   7.0675  234.736   11.076 -3.628723 13.13881 
1 1 1    8   24   18 o  334.105   12.080 17324.04  1231.86 18304.44  2140.09 16838.26  1506.45  337.336   20.888  327.880   15.053 9.455292 25.74678 
1 1 1    8   24   19 o  184.875   8.3132  5259.17  469.097  4104.76  783.978  5902.99  585.471  160.766   16.198  195.302   9.8534 -34.53613 18.95916 
1 1 1    8   24   20 o   97.139   3.7793  1442.57  112.053  1609.72  124.935  755.107  253.368  102.602   3.9894   68.660   12.553 33.94202 13.17140 
1 1 1    8   24   21 o  184.473   9.9485  5273.62  558.081   0.0000   0.0000  5273.62  558.081  ?   ?   184.473   9.9485 0.000000 9.948482 
1 1 1    8   24   22 o   61.704   14.602  620.465  270.724   0.0000   0.0000  620.465  270.724  ?   ?    61.704   14.602 0.000000 14.60201 
1 1 1    8   24   23 o  267.083   6.5495 10950.60  533.912 11542.63  596.781  8576.44  1195.08  274.058   7.1344  231.942   16.999 42.11551 18.43589 
1 1 1    8   24   24 o   95.074   9.4410  1410.32  270.343  1330.12  420.967  1466.61  352.679   90.566   15.804   96.267   12.283 -5.700424 20.01560 
1 1 1    8   24   25 o   61.626   4.7277  584.927   88.250  598.716  100.616  538.951  183.729   62.275   5.3453   58.037   10.768 4.237568 12.02202 
1 1 1    8   24   26 o   25.892   8.0274  102.895   70.017  107.239   74.067   66.401  214.686   26.470   8.2645   32.887   13.455 -6.417158 15.79053 
1 1 1    8   24   27 o  110.561   9.2439  1904.75  309.081  1752.57  470.309  2020.43  410.070  104.193   15.239  113.099   12.065 -8.905388 19.43707 
1 1 1    8   24   28 o   58.771   5.0183  533.297   89.157  510.847  102.340  603.986  181.600   57.378   5.9292   61.619   9.9983 -4.241951 11.62415 
1 1 1    8   24   29 o  239.745   5.8438  8828.46  427.627  8717.70  539.505  9015.66  701.367  237.765   7.4341  240.991   9.5351 -3.225998 12.09071 
1 1 1    8   24   30 o  107.721   4.5758  1778.40  150.449  1758.47  169.506  1852.35  326.593  107.052   5.1877  108.657   9.9584 -1.605225 11.22865 
1 1 1    8   24   31 o  350.673   6.4773 18938.79  693.286 19292.99  1028.93 18644.28  938.239  352.048   9.5757  346.562   8.8698 5.486023 13.05248 
1 1 1    8   24   32 o   69.121   8.2315  750.714  170.248  765.128  179.483  621.365  537.673   69.696   8.6210   62.642   22.315 7.054184 23.92279 
1 1 1    8   24   33 o  105.884   4.0155  1718.04  129.774  1792.61  156.057  1550.89  233.657  108.072   4.7310   99.763   7.7339 8.308128 9.066163 
1 1 1    8   24   34 o   59.104   5.1355  540.954   91.723  560.154  159.866  531.532  111.989   59.266   9.1308   58.352   6.3925 0.9144669 11.14608 
1 1 1    8   24   35 o  129.158   5.2853  2566.93  208.359  2632.22  255.280  2436.64  360.623  130.538   6.4071  124.339   9.5760 6.199188 11.52172 
1 1 1    8   24   36 o   47.376   12.646  372.515  186.280  320.843  709.451  376.341  193.054   57.229   24.026   47.598   12.946 9.631077 27.29181 
1 1 1    8   24   37 o   92.042   3.4347  1298.07   96.493  1258.95  741.289  1298.74   97.321   80.603   26.257   92.063   3.4634 -11.45976 26.48430 
1 1 1    8   24   38 o   62.759   6.8394  618.084  128.891  763.970  170.796  425.100  196.440   69.463   8.2148   50.370   12.762 19.09306 15.17739 
1 1 1    8   25    4 o  175.957   9.9482  4790.39  532.089  3520.79  748.348  6088.47  756.695  148.783   16.772  197.660   12.608 -48.87704 20.98232 
1 1 1    8   25    5 o  403.878   10.191 25175.70  1256.21 25366.01  1381.71 24268.51  3016.67  404.940   11.179  384.306   25.868 20.63440 28.18058 
1 1 1    8   25    6 o  259.578   6.2408 10327.16  494.452 11075.38  542.414  6648.79  1202.66  268.747   6.6126  203.654   19.590 65.09290 20.67552 
1 1 1    8   25    7 o  203.587   10.478  6418.70  648.860  7513.11  947.332  5451.55  890.552  218.992   14.250  185.808   15.855 33.18379 21.31760 
1 1 1    8   25    8 o   79.541   11.408  998.607  269.020  1189.67  424.608  870.476  347.713   85.563   16.858   73.130   16.021 12.43304 23.25661 
1 1 1    8   25    9 o   88.086   9.9502  1212.13  262.830  1198.58  392.340  1223.16  354.005   86.247   15.472   87.622   13.684 -1.375580 20.65552 
1 1 1    8   25   10 o  121.256   5.1511  2250.71  190.643  2250.71  190.643   0.0000   0.0000  121.256   5.1511  ?   ?  0.000000 5.151124 
1 1 1    8   25   11 o  117.868   5.1422  2126.76  184.997  2126.76  184.997   0.0000   0.0000  117.868   5.1422  ?   ?  0.000000 5.142249 
1 1 1    8   25   12 o  156.121   9.5016  3773.13  450.612  3761.10  662.534  3783.49  614.678  154.537   14.205  155.361   13.084 -0.8243256 19.31290 
1 1 1    8   25   13 o  198.470   8.7500  6067.29  530.054  7791.91  903.361  5161.77  654.580  223.194   13.321  181.999   11.848 41.19449 17.82792 
1 1 1    8   25   14 o  141.864   4.7962  3080.13  207.676  3066.58  236.713  3125.39  432.759  141.490   5.4812  141.875   10.059 -0.3852386 11.45530 
1 1 1    8   25   15 o   90.096   4.5339  1245.16  124.281  1161.07  136.692  1646.16  298.507   86.923   5.1756  102.822   9.6235 -15.89831 10.92698 
1 1 1    8   25   16 o   98.145   7.4540  1489.00  221.625  1940.30  381.000  1258.21  272.464  111.271   11.378   89.653   10.135 21.61798 15.23756 
1 1 1    8   25   17 o  170.135   4.7330  4430.74  245.780  4236.43  301.549  4815.28  424.210  166.219   5.9438  176.900   7.8566 -10.68091 9.851648 
1 1 1    8   25   18 o   80.149   4.0565  985.092   98.913  992.469  115.766  965.145  190.373   80.379   4.7396   78.777   8.0298 1.602325 9.324271 
1 1 1    8   25   19 o   82.204   9.3573  1057.12  230.596   0.0000   0.0000  1057.12  230.596  ?   ?    82.204   9.3573 0.000000 9.357263 
1 1 1    8   25   20 o   87.555   9.1586  1196.82  241.132   0.0000   0.0000  1196.82  241.132  ?   ?    87.555   9.1586 0.000000 9.158645 
1 1 1    8   25   21 o  150.965   9.1572  3535.43  419.950   0.0000   0.0000  3535.43  419.950  ?   ?   150.965   9.1572 0.000000 9.157180 
1 1 1    8   25   22 o  162.149   9.5863  4085.32  472.335  3910.99  680.449  4247.44  656.178  156.912   14.367  164.055   13.216 -7.143005 19.52146 
1 1 1    8   25   23 o  121.840   4.5990  2273.60  171.029  2319.22  185.922  2022.62  436.116  123.022   4.9514  112.886   12.888 10.13573 13.80682 
1 1 1    8   25   24 o   46.420   14.832  337.072  237.316   0.0000   0.0000  337.072  237.316  ?   ?    46.420   14.832 0.000000 14.83203 
1 1 1    8   25   25 o  105.062   5.7747  1700.05  184.469  1779.77  257.866  1616.49  263.999  107.077   7.9468  101.876   8.5697 5.200897 11.68721 
1 1 1    8   25   26 o  214.232   4.5393  7032.72  296.816  6987.15  328.579  7234.84  691.975  213.435   5.0438  215.380   10.526 -1.945419 11.67214 
1 1 1    8   25   27 o  170.696   5.2441  4472.47  273.217  4297.69  323.412  4908.12  510.602  167.105   6.3409  177.428   9.4627 -10.32321 11.39073 
1 1 1    8   25   28 o   68.021   4.7503  713.117   98.005  730.008  105.371  604.818  266.811   68.782   5.0546   60.364   14.633 8.417995 15.48176 
1 1 1    8   25   29 o  124.246   5.2309  2371.49  198.371  2371.49  198.371   0.0000   0.0000  124.246   5.2309  ?   ?  0.000000 5.230941 
1 1 1    8   25   30 o  198.084   5.8314  6041.00  352.566  6275.44  731.835  5970.14  402.332  198.690   12.126  196.642   6.7034 2.048126 13.85518 
1 1 1    8   25   31 o   74.340   3.3157  845.984   75.233  841.102  114.587  849.683   99.743   73.796   5.1189   74.285   4.4190 -0.4888916 6.762480 
1 1 1    8   25   32 o   99.857   4.7071  1531.81  143.465  1445.00  161.367  1859.25  313.389   96.720   5.4887  108.520   9.5590 -11.79966 11.02276 
1 1 1    8   25   33 o   94.497   6.3398  1386.16  181.798  1382.18  234.126  1392.21  288.513   93.814   8.2607   93.445   10.286 0.3693314 13.19243 
1 1 1    8   25   34 o   86.891   6.4982  1174.93  171.090  1187.27  221.616  1156.72  269.177   86.770   8.4761   84.870   10.624 1.899765 13.59099 
1 1 1    8   25   35 o  101.275   5.8528  1589.63  180.146  1571.62  224.340  1622.32  302.272  100.246   7.3840  100.890   9.9453 -0.6436615 12.38679 
1 1 1    8   26    3 o  178.480   6.1085  4884.54  332.768  4884.54  332.768   0.0000   0.0000  178.480   6.1085  ?   ?  0.000000 6.108518 
1 1 1    8   26    4 f  218.341   6.9114  7319.96  460.597  7319.96  460.597   0.0000   0.0000  218.341   6.9114  ?   ?  0.000000 6.911442 
1 1 1    8   26    5 o  120.364   15.382  2311.58  552.188  2311.58  552.188   0.0000   0.0000  120.364   15.382  ?   ?  0.000000 15.38235 
1 1 1    8   26    6 o   60.282   14.039  590.729  253.502  698.275  414.074  526.254  320.608   65.422   19.368   57.197   17.068 8.225224 25.81577 
1 1 1    8   26    7 o  132.473   9.7990  2726.28  393.400  2713.52  594.959  2736.19  524.400  130.569   15.214  131.779   13.216 -1.209808 20.15272 
1 1 1    8   26    8 o  128.609   4.5465  2531.22  178.471  2692.01  193.839  1636.07  457.352  132.612   4.7890  100.938   15.327 31.67320 16.05745 
1 1 1    8   26    9 o  132.503   4.9967  2688.46  202.081  2623.81  219.177  3055.02  521.918  130.855   5.4877  139.531   12.384 -8.675903 13.54518 
1 1 1    8   26   10 o  136.117   9.2112  2873.17  380.438  2779.46  559.250  2953.89  519.038  132.488   14.044  137.114   12.541 -4.625992 18.82841 
1 1 1    8   26   11 o  103.319   9.1985  1660.95  287.043  1824.46  439.143  1538.98  379.285  107.124   13.748   98.492   12.929 8.632156 18.87241 
1 1 1    8   26   12 o  117.697   4.4590  2120.08  160.183  2202.38  174.141  1667.57  408.352  119.936   4.7570  102.430   13.381 17.50629 14.20163 
1 1 1    8   26   13 o   78.491   4.3965  945.805  104.905  989.610  117.236  769.806  234.992   80.248   4.8085   69.491   11.480 10.75759 12.44650 
1 1 1    8   26   14 o   52.911   10.920  450.257  170.506  490.078  342.146  437.100  196.667   55.689   17.811   51.897   12.553 3.792118 21.78980 
1 1 1    8   26   15 o  149.509   4.4562  3421.75  203.353  3558.22  232.473  2977.08  419.636  152.401   4.9977  138.260   10.012 14.14153 11.18982 
1 1 1    8   26   16 f  128.088   9.2143  2550.16  357.831   0.0000   0.0000  2550.16  357.831  ?   ?   128.088   9.2143 0.000000 9.214306 
1 1 1    8   26   17 o  164.176   7.8464  4155.04  393.187   0.0000   0.0000  4155.04  393.187  ?   ?   164.176   7.8464 0.000000 7.846416 
1 1 1    8   26   18 o  124.004   8.4196  2385.54  316.784   0.0000   0.0000  2385.54  316.784  ?   ?   124.004   8.4196 0.000000 8.419580 
1 1 1    8   26   19 o  118.492   3.8853  2148.44  140.518  2409.00  161.669  1343.48  284.157  125.441   4.2225   92.438   10.244 33.00395 11.07983 
1 1 1    8   26   20 o   94.574   7.5876  1388.07  217.182  1295.12  375.410  1434.83  266.263   89.489   14.220   95.793   9.2206 -6.304131 16.94769 
1 1 1    8   26   21 o  107.796   4.4385  1780.08  146.035  1709.94  166.746  2011.01  302.541  105.579   5.1744  113.622   8.7922 -8.042999 10.20188 
1 1 1    8   26   22 o   92.029   4.2090  1297.18  118.228  1296.98  135.381  1297.82  242.676   91.843   4.8466   91.090   8.8398 0.7526093 10.08123 
1 1 1    8   26   23 o  120.133   8.9020  2251.46  324.091  2323.56  476.229  2189.26  442.315  120.543   13.157  117.208   12.559 3.335068 18.18943 
1 1 1    8   26   24 o  104.294   10.885  1721.42  341.384  1968.87  774.349  1661.73  380.341  104.858   24.616  101.882   12.493 2.975700 27.60473 
1 1 1    8   26   25 o   55.114   5.4793  471.434   90.952  433.333   96.991  749.111  261.840   52.700   6.1453   67.623   13.160 -14.92350 14.52366 
1 1 1    8   26   26 o   98.420   14.379  1583.48  419.188  1583.48  419.188   0.0000   0.0000   98.420   14.379  ?   ?  0.000000 14.37852 
1 1 1    8   26   27 f  105.530   5.0074  1711.19  161.288  1711.19  161.288   0.0000   0.0000  105.530   5.0074  ?   ?  0.000000 5.007384 
1 1 1    8   26   29 o   88.010   4.6046  1193.02  123.263  1192.92  133.626  1193.57  319.221   87.935   4.9993   85.592   12.596 2.342812 13.55166 
1 1 1    8   26   30 o   47.735   6.0189  357.209   85.743  326.090   91.998  563.002  236.583   45.393   6.8534   57.937   13.610 -12.54334 15.23814 
1 1 1    8   26   31 o  114.860   6.1347  2045.16  214.291  2161.38  257.400  1782.72  386.812  117.748   7.1966  104.754   12.334 12.99377 14.28028 
1 1 1    8   26   32 o   91.100   6.7686  1294.45  186.863  1376.46  233.002  1146.63  312.819   93.479   8.2510   83.492   12.674 9.987587 15.12271 
1 1 1    8   27    0 o  131.777   15.105  2788.39  586.857  2788.39  586.857  2788.39  586.857  131.777   15.105  131.777   15.105 0.000000 0.000000 
1 1 1    8   27    1 o  125.591   15.008  2522.01  563.897   0.0000   0.0000  2522.01  563.897  ?   ?   125.591   15.008 0.000000 15.00765 
1 1 1    8   27    2 o  225.566   16.545  8131.26  1131.13   0.0000   0.0000  8131.26  1131.13  ?   ?   225.566   16.545 0.000000 16.54490 
1 1 1    8   27    3 o  227.296   16.523  8256.55  1138.48   0.0000   0.0000  8256.55  1138.48  ?   ?   227.296   16.523 0.000000 16.52330 
1 1 1    8   27    4 o   51.242   16.863  405.588  305.451   0.0000   0.0000  405.588  305.451  ?   ?    51.242   16.863 0.000000 16.86257 
1 1 1    8   27    5 o  100.004   10.214  1566.65  307.393  1721.17  471.688  1452.59  405.272  103.268   15.439   95.046   14.423 8.222176 21.12750 
1 1 1    8   27    6 o  118.583   5.2886  2155.59  191.417  2155.59  191.417   0.0000   0.0000  118.583   5.2886  ?   ?  0.000000 5.288605 
1 1 1    8   27    7 o  138.721   5.5095  2951.22  233.275  2951.22  233.275   0.0000   0.0000  138.721   5.5095  ?   ?  0.000000 5.509459 
1 1 1    8   27    8 o  153.611   15.003  3765.15  694.427  3765.15  694.427   0.0000   0.0000  153.611   15.003  ?   ?  0.000000 15.00259 
1 1 1    8   27    9 o   95.813   16.074  1495.50  453.416  1495.50  453.416   0.0000   0.0000   95.813   16.074  ?   ?  0.000000 16.07364 
1 1 1    8   27   10 o  341.069   9.8398 18045.39  1024.34 18045.39  1024.34   0.0000   0.0000  341.069   9.8398  ?   ?  0.000000 9.839797 
1 1 1    8   27   11 o  141.443   5.4386  3068.86  234.793  3068.86  234.793   0.0000   0.0000  141.443   5.4386  ?   ?  0.000000 5.438593 
1 1 1    8   27   12 o  232.035   9.1280  8338.58  646.467  8799.80  1104.91  8098.51  797.149  234.704   15.511  227.416   11.522 7.287643 19.32231 
1 1 1    8   27   13 o  123.473   9.8271  2381.86  367.286   0.0000   0.0000  2381.86  367.286  ?   ?   123.473   9.8271 0.000000 9.827066 
1 1 1    8   27   14 o  136.123   12.163  2927.57  500.016   0.0000   0.0000  2927.57  500.016  ?   ?   136.123   12.163 0.000000 12.16279 
1 1 1    8   27   15 o  202.418   10.431  6401.16  642.276   0.0000   0.0000  6401.16  642.276  ?   ?   202.418   10.431 0.000000 10.43118 
1 1 1    8   27   16 o  190.337   8.1364  5602.64  472.689  6120.30  824.020  5348.76  577.076  196.066   13.859  184.992   10.261 11.07404 17.24368 
1 1 1    8   27   17 o  151.695   4.4822  3526.56  207.528  3477.85  251.771  3629.79  366.534  150.487   5.4814  153.037   7.8736 -2.549728 9.593716 
1 1 1    8   27   18 o  164.972   7.7361  4207.73  389.539  4631.98  661.994  3983.02  481.777  170.764   12.794  159.550   9.9425 11.21387 16.20313 
1 1 1    8   27   19 o  157.768   7.6721  3849.72  369.445  3581.27  622.371  3995.79  459.079  149.418   13.803  159.926   9.4468 -10.50815 16.72599 
1 1 1    8   27   20 o   89.628   4.5868  1235.31  125.059  1218.64  131.151  1402.36  415.139   88.980   4.8473   92.293   15.271 -3.313065 16.02189 
1 1 1    8   27   21 o   29.955   13.108 -34.3981  228.125 -34.3981  228.125   0.0000   0.0000   29.955   13.108  ?   ?  0.000000 13.10835 
1 1 1    8   27   22 o   27.561   7.2035  121.815   61.273  124.541   62.259   37.768  345.726   27.861   7.2512   38.740   16.539 -10.87976 18.05849 
1 1 1    8   27   23 o   33.242   6.6594  176.641   65.212  176.756   67.112  174.690  276.020   33.223   6.8460   39.841   15.606 -6.617939 17.04138 
1 1 1    8   27   24 o  249.439   18.442 10488.30  1394.15 10488.30  1394.15   0.0000   0.0000  249.439   18.442  ?   ?  0.000000 18.44235 
1 1 1    8   27   25 o   45.456   5.9108  323.929   80.068  323.929   80.068   0.0000   0.0000   45.456   5.9108  ?   ?  0.000000 5.910782 
1 1 1    8   27   26 o  134.290   4.7420  2772.44  194.366  2823.38  211.863  2501.68  488.447  135.435   5.1251  124.024   13.101 11.41145 14.06823 
1 1 1    8   27   27 o   25.537   10.397   45.413  127.398   8.4090  161.834  105.711  206.585   26.518   11.318   33.470   13.376 -6.951649 17.52197 
1 1 1    8   27   28 o  112.733   11.194  2044.24  380.092  2236.11  932.797  2006.04  416.212  104.522   28.468  110.977   12.506 -6.454361 31.09402 
1 1 1    8   27   29 o   53.363   14.553  485.287  243.585   0.0000   0.0000  485.287  243.585  ?   ?    53.363   14.553 0.000000 14.55334 
1 1 1    8   28    0 o  348.776   22.905 19550.62  2414.24 19550.62  2414.24 19550.62  2414.24  348.776   22.905  348.776   22.905 0.000000 0.000000 
1 1 1    8   28    1 o  219.213   5.7580  7381.33  385.263  7902.89  420.279  4636.85  964.086  226.743   6.0728  167.505   19.204 59.23828 20.14114 
1 1 1    8   28    2 o  196.133   10.827  6022.96  645.638  6570.60  920.454  5492.54  905.860  202.582   14.993  184.369   16.264 18.21277 22.12014 
1 1 1    8   28    3 o  187.835   15.299  5665.29  869.511   0.0000   0.0000  5665.29  869.511  ?   ?   187.835   15.299 0.000000 15.29926 
1 1 1    8   28    4 o  266.524   18.939 11660.92  1530.67   0.0000   0.0000 11660.92  1530.67  ?   ?   266.524   18.939 0.000000 18.93930 
1 1 1    8   28    5 o   50.995   6.4733  406.447   98.486   0.0000   0.0000  406.447   98.486  ?   ?    50.995   6.4733 0.000000 6.473327 
1 1 1    8   28    6 o  196.928   15.510  6240.93  924.727   0.0000   0.0000  6240.93  924.727  ?   ?   196.928   15.510 0.000000 15.51027 
1 1 1    8   28    7 o  111.880   10.218  1966.61  345.063  2619.83  509.260  1412.15  469.184  128.122   13.212   92.111   17.324 36.01160 21.78746 
1 1 1    8   28    8 o  108.078   9.7672  1832.30  318.721  2163.92  497.340  1601.20  415.181  115.815   14.379   99.526   14.059 16.28894 20.10959 
1 1 1    8   28    9 o   71.279   4.9333  783.099  106.670  820.102  119.602  639.213  235.846   72.880   5.4154   62.581   12.779 10.29890 13.87949 
1 1 1    8   28   10 o   45.637   13.195  337.804  194.194   0.0000   0.0000  337.804  194.194  ?   ?    45.637   13.195 0.000000 13.19462 
1 1 1    8   28   11 o   74.170   11.801  885.087  258.212   0.0000   0.0000  885.087  258.212  ?   ?    74.170   11.801 0.000000 11.80125 
1 1 1    8   28   13 o  120.299   5.1504  2222.58  189.113  2222.58  189.113   0.0000   0.0000  120.299   5.1504  ?   ?  0.000000 5.150416 
1 1 1    8   28   14 o  144.029   13.942  3343.97  605.237  3343.97  605.237   0.0000   0.0000  144.029   13.942  ?   ?  0.000000 13.94212 
1 1 1    8   28   15 o  173.663   5.9940  4644.98  317.719  4644.98  317.719   0.0000   0.0000  173.663   5.9940  ?   ?  0.000000 5.994037 
1 1 1    8   28   16 o  164.558   5.8241  4169.95  292.528  4169.95  292.528   0.0000   0.0000  164.558   5.8241  ?   ?  0.000000 5.824143 
1 1 1    8   28   17 o   67.523   16.011  771.884  324.965  771.884  324.965   0.0000   0.0000   67.523   16.011  ?   ?  0.000000 16.01079 
1 1 1    8   28   18 o  105.866   4.8205  1721.87  155.765  1721.87  155.765   0.0000   0.0000  105.866   4.8205  ?   ?  0.000000 4.820547 
1 1 1    8   28   19 o   84.528   4.5400  1100.27  116.702  1098.82  120.551  1121.88  465.531   84.446   4.6957   79.962   19.296 4.484016 19.85865 
1 1 1    8   28   20 o  168.484   10.157  4486.72  519.901  4428.36  703.060  4557.14  772.313  164.787   14.114  166.185   15.401 -1.398026 20.89039 
1 1 1    8   28   21 o   69.847   4.7715  753.486  101.115  753.486  101.115   0.0000   0.0000   69.847   4.7715  ?   ?  0.000000 4.771518 
1 1 1    8   28   22 o   52.933   5.1063  435.287   81.475  435.287   81.475   0.0000   0.0000   52.933   5.1063  ?   ?  0.000000 5.106297 
1 1 1    8   28   23 o  109.048   13.107  1947.38  427.521  1947.38  427.521   0.0000   0.0000  109.048   13.107  ?   ?  0.000000 13.10728 
1 1 1    8   28   24 f   46.422   5.3607  336.646   74.560  338.355   76.510  304.386  332.366   46.514   5.4952   46.227   17.369 0.2877693 18.21736 
1 1 1    8   28   25 f  108.473   9.3037  1867.73  305.051  1699.46  427.696  2041.97  435.217  100.873   14.291  111.471   13.038 -10.59839 19.34489 
1 1 1    8   29    0 f   18.993   10.261   78.935   82.934   78.935   82.934   78.935   82.934   18.993   10.261   18.993   10.261 0.000000 0.000000 
1 1 1    8   29    1 o  112.412   10.229  1995.96  347.139  1871.01  493.496  2118.34  488.400  106.464   15.654  114.047   14.348 -7.582626 21.23488 
1 1 1    8   29    2 o  183.157   10.487  5282.55  583.846  5392.95  830.848  5174.85  820.612  182.126   15.082  178.280   15.227 3.845779 21.43167 
1 1 1    8   29    3 o   42.310   15.017  259.733  243.279  371.240  355.342  161.355  333.767   50.150   18.110   41.929   16.915 8.220917 24.78086 
1 1 1    8   29    4 o  147.231   5.0359  3330.45  226.303  3386.84  244.242  2988.33  601.619  148.399   5.3923  135.387   14.800 13.01248 15.75165 
1 1 1    8   29    5 o  109.474   4.8610  1840.60  162.427  2037.48  478.934  1815.02  172.660  111.724   14.378  108.660   5.2060 3.064026 15.29176 
1 1 1    8   29    6 o  126.927   14.053  2616.58  535.277   0.0000   0.0000  2616.58  535.277  ?   ?   126.927   14.053 0.000000 14.05256 
1 1 1    8   29    7 o   69.355   14.543  802.028  298.012   0.0000   0.0000  802.028  298.012  ?   ?    69.355   14.543 0.000000 14.54253 
1 1 1    8   29    8 o  128.938   12.782  2675.68  496.420   0.0000   0.0000  2675.68  496.420  ?   ?   128.938   12.782 0.000000 12.78239 
1 1 1    8   29    9 o  112.306   12.340  2029.45  416.022   0.0000   0.0000  2029.45  416.022  ?   ?   112.306   12.340 0.000000 12.34003 
1 1 1    8   29   10 o   72.949   10.130  850.873  219.463  1026.84  376.537  760.339  270.081   77.799   16.375   67.739   13.536 10.05953 21.24548 
1 1 1    8   29   11 o  109.290   4.4464  1833.65  148.323  1877.32  160.352  1574.92  390.312  110.537   4.7528   98.236   13.364 12.30052 14.18418 
1 1 1    8   29   12 o   29.490   12.012   62.586  170.132  118.953  271.211   26.013  218.462   37.422   15.195   31.176   13.223 6.246092 20.14293 
1 1 1    8   29   13 o  131.242   8.7118  2702.65  346.993  3130.08  520.698  2361.19  465.391  139.413   12.365  120.712   12.828 18.70102 17.81719 
1 1 1    8   29   14 o   35.951   6.3358  205.508   66.983  234.788   71.885   12.503  184.560   38.486   6.3403   28.379   12.099 10.10717 13.65940 
1 1 1    8   29   15 o   74.835   4.5078  863.530  102.483  876.423  112.009  797.258  253.947   75.324   4.8986   69.610   12.407 5.713707 13.33933 
1 1 1    8   29   16 o   26.974   10.748   64.809  132.985  153.425  285.615   40.280  150.267   39.154   15.700   27.018   11.177 12.13592 19.27179 
1 1 1    8   29   17 o   34.227   6.6483  187.565   66.951  210.383   71.625   29.673  188.413   36.286   6.7144   29.237   12.333 7.049318 14.04272 
1 1 1    8   29   18 o   81.421   4.2544  1021.18  105.361  1038.69  113.238  908.309  287.515   82.066   4.5384   73.883   13.236 8.183510 13.99230 
1 1 1    8   29   19 o   69.258   9.3847  768.704  193.275  928.542  289.704  640.502  259.456   74.670   13.194   61.404   14.136 13.26597 19.33681 
1 1 1    8   29   20 o   70.791   4.6392  774.473   99.685  732.168  106.176  1089.07  289.541   68.732   5.0975   81.487   12.001 -12.75482 13.03852 
1 1 1    8   30    0 o   42.399   7.9015  303.105   91.835  303.105   91.835  303.105   91.835   42.399   7.9015   42.399   7.9015 0.000000 0.000000 
1 1 1    8   30    1 o  136.086   9.8875  2934.95  407.886  3070.37  581.041  2803.37  572.725  136.647   14.136  130.165   14.672 6.481827 20.37327 
1 1 1    8   30    2 f   89.302   15.979  1353.59  419.553   0.0000   0.0000  1353.59  419.553  ?   ?    89.302   15.979 0.000000 15.97910 
1 1 1    8   30    6 o   63.230   12.092  660.190  224.862  667.778  369.029  655.709  283.589   61.705   18.288   61.931   15.131 -0.2258949 23.73664 
1 1 1    8   30    7 o  130.061   12.892  2757.44  505.026   0.0000   0.0000  2757.44  505.026  ?   ?   130.061   12.892 0.000000 12.89168 
1 1 1    8   30    8 o   97.685   12.865  1565.34  374.258   0.0000   0.0000  1565.34  374.258  ?   ?    97.685   12.865 0.000000 12.86530 
1 1 1    8   30   10 o  128.812   13.024  2715.80  505.005   0.0000   0.0000  2715.80  505.005  ?   ?   128.812   13.024 0.000000 13.02357 
1 1 1    8   30   11 o   29.476   12.205   52.008  179.399   0.0000   0.0000   52.008  179.399  ?   ?    29.476   12.205 0.000000 12.20457 
1 1 1    8   30   12 o  112.255   8.6791  1990.51  295.062  2129.50  445.039  1881.50  394.143  113.800   13.049  107.354   12.248 6.445091 17.89619 
1 1 1    8   30   13 o   45.283   5.3424  320.734   72.418  342.131   77.728  180.002  199.343   46.744   5.5569   36.369   13.493 10.37428 14.59254 
1 1 1    8   30   14 o  120.810   4.5800  2246.46  168.881  2279.58  184.600  2076.46  418.229  121.604   4.9735  112.630   12.370 8.974426 13.33200 
1 1 1    9    0    1 o  303.371   19.660 14254.78  1802.94 14254.78  1802.94 14254.78  1802.94  303.371   19.660  303.371   19.660 0.000000 0.000000 
1 1 1    9    0    2 o  434.267   8.1399 28822.79  1078.07 28822.79  1078.07 28822.79  1078.07  434.267   8.1399  434.267   8.1399 0.000000 0.000000 
1 1 1    9    0    3 o  299.671   7.4242 13734.79  678.122 13734.79  678.122 13734.79  678.122  299.671   7.4242  299.671   7.4242 0.000000 0.000000 
1 1 1    9    0    4 o  473.109   16.528 34342.45  2380.12 34342.45  2380.12 34342.45  2380.12  473.109   16.528  473.109   16.528 0.000000 0.000000 
1 1 1    9    0    5 o  146.659   5.0483  3294.68  225.372  3294.68  225.372  3294.68  225.372  146.659   5.0483  146.659   5.0483 0.000000 0.000000 
1 1 1    9    0    6 o  155.820   5.1378  3718.06  243.751  3718.06  243.751  3718.06  243.751  155.820   5.1378  155.820   5.1378 0.000000 0.000000 
1 1 1    9    0    7 o  454.970   10.780 31666.88  1495.14 31666.88  1495.14 31666.88  1495.14  454.970   10.780  454.970   10.780 0.000000 0.000000 
1 1 1    9    0    8 o  1049.91   23.636 169088.41  7565.82 169088.41  7565.82 169088.41  7565.82  1049.91   23.636  1049.91   23.636 0.000000 0.000000 
1 1 1    9    0    9 o  455.788   8.8826 31756.42  1234.66 31756.42  1234.66 31756.42  1234.66  455.788   8.8826  455.788   8.8826 0.000000 0.000000 
1 1 1    9    0   10 o  222.632   4.9085  7576.43  333.181  7576.43  333.181  7576.43  333.181  222.632   4.9085  222.632   4.9085 0.000000 0.000000 
1 1 1    9    0   11 o  254.118   5.4101  9870.33  419.189  9870.33  419.189  9870.33  419.189  254.118   5.4101  254.118   5.4101 0.000000 0.000000 
1 1 1    9    0   12 o  434.731   8.5087 28889.57  1128.04 28889.57  1128.04 28889.57  1128.04  434.731   8.5087  434.731   8.5087 0.000000 0.000000 
1 1 1    9    0   13 o  565.382   10.862 48877.12  1872.87 48877.12  1872.87 48877.12  1872.87  565.382   10.862  565.382   10.862 0.000000 0.000000 
1 1 1    9    0   14 o  120.857   3.6574  2235.45  134.637  2235.45  134.637  2235.45  134.637  120.857   3.6574  120.857   3.6574 0.000000 0.000000 
1 1 1    9    0   15 f  727.047   43.750 82632.24  9628.13 82632.24  9628.13 82632.24  9628.13  727.047   43.750  727.047   43.750 0.000000 0.000000 
1 1 1    9    0   19 o  198.013   6.4558  6004.75  389.234  6004.75  389.234  6004.75  389.234  198.013   6.4558  198.013   6.4558 0.000000 0.000000 
1 1 1    9    0   20 o  352.657   10.022 19041.09  1076.78 19041.09  1076.78 19041.09  1076.78  352.657   10.022  352.657   10.022 0.000000 0.000000 
1 1 1    9    0   21 o  338.288   15.524 17609.83  1595.18 17609.83  1595.18 17609.83  1595.18  338.288   15.524  338.288   15.524 0.000000 0.000000 
1 1 1    9    0   22 o  378.532   8.9319 21919.09  1030.67 21919.09  1030.67 21919.09  1030.67  378.532   8.9319  378.532   8.9319 0.000000 0.000000 
1 1 1    9    0   23 o  150.622   3.7247  3469.10  170.999  3469.10  170.999  3469.10  170.999  150.622   3.7247  150.622   3.7247 0.000000 0.000000 
1 1 1    9    0   24 o  187.376   4.9942  5370.96  285.170  5370.96  285.170  5370.96  285.170  187.376   4.9942  187.376   4.9942 0.000000 0.000000 
1 1 1    9    0   25 o   66.944   4.6395  693.902   93.754  693.902   93.754  693.902   93.754   66.944   4.6395   66.944   4.6395 0.000000 0.000000 
1 1 1    9    0   26 o  127.205   3.6059  2475.81  139.750  2475.81  139.750  2475.81  139.750  127.205   3.6059  127.205   3.6059 0.000000 0.000000 
1 1 1    9    0   27 o  432.051   8.3023 28548.19  1093.93 28548.19  1093.93 28548.19  1093.93  432.051   8.3023  432.051   8.3023 0.000000 0.000000 
1 1 1    9    0   28 o  492.330   13.568 37190.24  2035.33 37190.24  2035.33 37190.24  2035.33  492.330   13.568  492.330   13.568 0.000000 0.000000 
1 1 1    9    0   29 o  171.958   10.511  4572.40  546.960  4572.40  546.960  4572.40  546.960  171.958   10.511  171.958   10.511 0.000000 0.000000 
1 1 1    9    0   30 o  143.456   3.8567  3148.48  168.596  3148.48  168.596  3148.48  168.596  143.456   3.8567  143.456   3.8567 0.000000 0.000000 
1 1 1    9    0   31 o  283.960   4.9371 12323.70  427.609 12323.70  427.609 12323.70  427.609  283.960   4.9371  283.960   4.9371 0.000000 0.000000 
1 1 1    9    0   32 o   87.135   6.7441  1180.68  176.893  1180.68  176.893  1180.68  176.893   87.135   6.7441   87.135   6.7441 0.000000 0.000000 
1 1 1    9    0   33 o  261.817   7.3306 10500.64  584.771 10500.64  584.771 10500.64  584.771  261.817   7.3306  261.817   7.3306 0.000000 0.000000 
1 1 1    9    0   34 o  540.412   10.084 44741.98  1662.08 44741.98  1662.08 44741.98  1662.08  540.412   10.084  540.412   10.084 0.000000 0.000000 
1 1 1    9    0   35 o   76.767   3.3997  904.960   79.304  904.960   79.304  904.960   79.304   76.767   3.3997   76.767   3.3997 0.000000 0.000000 
1 1 1    9    0   36 o  583.751   36.563 54715.95  6456.01 54715.95  6456.01 54715.95  6456.01  583.751   36.563  583.751   36.563 0.000000 0.000000 
1 1 1    9    0   37 o  860.238   55.950 125543.50 14547.94 125543.50 14547.94 125543.50 14547.94  860.238   55.950  860.238   55.950 0.000000 0.000000 
1 1 1    9    0   38 o  335.676   12.224 17350.38  1248.68 17350.38  1248.68 17350.38  1248.68  335.676   12.224  335.676   12.224 0.000000 0.000000 
1 1 1    9    0   39 o   39.508   7.2600  261.332   78.823  261.332   78.823  261.332   78.823   39.508   7.2600   39.508   7.2600 0.000000 0.000000 
1 1 1    9    0   40 o  298.916   7.0589 13683.05  643.214 13683.05  643.214 13683.05  643.214  298.916   7.0589  298.916   7.0589 0.000000 0.000000 
1 1 1    9    0   41 o   47.580   4.5537  355.144   64.740  355.144   64.740  355.144   64.740   47.580   4.5537   47.580   4.5537 0.000000 0.000000 
1 1 1    9    0   42 o   49.848   3.8377  386.114   57.594  386.114   57.594  386.114   57.594   49.848   3.8377   49.848   3.8377 0.000000 0.000000 
1 1 1    9    0   43 o  139.406   3.7987  2974.06  161.365  2974.06  161.365  2974.06  161.365  139.406   3.7987  139.406   3.7987 0.000000 0.000000 
1 1 1    9    0   44 o  558.491   12.709 47967.58  2163.84 47967.58  2163.84 47967.58  2163.84  558.491   12.709  558.491   12.709 0.000000 0.000000 
1 1 1    9    0   45 o  185.872   8.5792  5321.29  484.359  5321.29  484.359  5321.29  484.359  185.872   8.5792  185.872   8.5792 0.000000 0.000000 
1 1 1    9    0   46 o   32.240   8.5280  188.700   72.502  188.700   72.502  188.700   72.502   32.240   8.5280   32.240   8.5280 0.000000 0.000000 
1 1 1    9    0   47 o  150.424   4.1398  3463.60  189.743  3463.60  189.743  3463.60  189.743  150.424   4.1398  150.424   4.1398 0.000000 0.000000 
1 1 1    9    0   48 f  211.285   5.5906  6836.93  359.962  6836.93  359.962  6836.93  359.962  211.285   5.5906  211.285   5.5906 0.000000 0.000000 
1 1 1    9    0   49 o   32.895   6.3912  182.914   57.213  182.914   57.213  182.914   57.213   32.895   6.3912   32.895   6.3912 0.000000 0.000000 
1 1 1    9    0   50 o  336.609   7.6679 17373.36  786.883 17373.36  786.883 17373.36  786.883  336.609   7.6679  336.609   7.6679 0.000000 0.000000 
1 1 1    9    0   51 o  277.631   10.601 11891.89  895.336 11891.89  895.336 11891.89  895.336  277.631   10.601  277.631   10.601 0.000000 0.000000 
1 1 1    9    0   52 o   69.310   11.573  797.093  224.314  797.093  224.314  797.093  224.314   69.310   11.573   69.310   11.573 0.000000 0.000000 
1 1 1    9    0   53 o   59.622   4.6444  553.140   83.340  553.140   83.340  553.140   83.340   59.622   4.6444   59.622   4.6444 0.000000 0.000000 
1 1 1    9    0   54 o  257.112   4.4779 10114.23  351.166 10114.23  351.166 10114.23  351.166  257.112   4.4779  257.112   4.4779 0.000000 0.000000 
1 1 1    9    0   55 o   38.145   21.569  313.282  385.882  313.282  385.882  313.282  385.882   38.145   21.569   38.145   21.569 0.000000 0.000000 
1 1 1    9    0   56 o   44.318   6.2514  318.250   79.720  318.250   79.720  318.250   79.720   44.318   6.2514   44.318   6.2514 0.000000 0.000000 
1 1 1    9    0   57 o   17.542   6.6935   63.960   33.769   63.960   33.769   63.960   33.769   17.542   6.6935   17.542   6.6935 0.000000 0.000000 
1 1 1    9    0   58 o   63.223   13.537  699.194  229.404  699.194  229.404  699.194  229.404   63.223   13.537   63.223   13.537 0.000000 0.000000 
1 1 1    9    0   59 f   87.424   11.731  1249.80  297.209  1249.80  297.209  1249.80  297.209   87.424   11.731   87.424   11.731 0.000000 0.000000 
1 1 1    9    1    0 o  485.062   12.590 36014.98  1861.10 36014.98  1861.10 36014.98  1861.10  485.062   12.590  485.062   12.590 0.000000 0.000000 
1 1 1    9    1    1 o  571.413   12.218 49916.96  2130.90 50093.39  2283.85 48730.56  5922.42  572.350   13.073  560.070   34.817 12.27924 37.19077 
1 1 1    9    1    2 o  553.523   11.977 46837.05  2023.51 46963.61  2168.60 45985.05  5626.55  554.202   12.820  544.210   34.045 9.992249 36.37844 
1 1 1    9    1    3 o  553.000   16.255 46815.47  2743.65 46712.10  3168.35 47125.37  5485.98  552.100   18.802  551.279   32.751 0.8210449 37.76397 
1 1 1    9    1    4 o  245.102   7.1991  9173.74  538.568  8450.53  695.663 10255.64  850.864  235.184   9.6911  259.054   10.761 -23.87045 14.48162 
1 1 1    9    1    5 o  264.441   5.9148 10676.46  477.406 10444.27  542.568 11472.66  1004.73  261.533   6.7969  273.946   12.016 -12.41345 13.80533 
1 1 1    9    1    6 o  571.752   11.382 49966.34  1986.38 48970.74  2451.35 51870.15  3389.80  565.783   14.195  581.724   19.091 -15.94080 23.79045 
1 1 1    9    1    7 o  790.592   16.806 95713.84  4055.47 97131.94  7963.59 95217.31  4712.28  792.605   32.918  788.057   19.591 4.548157 38.30679 
1 1 1    9    1    8 o  685.151   11.122 71748.98  2325.89 72329.50  3164.26 71066.66  3430.46  687.482   15.080  681.268   16.497 6.213928 22.35094 
1 1 1    9    1    9 o  197.023   4.8122  5925.79  289.386  6242.05  499.857  5766.35  354.912  202.159   8.1009  194.339   5.9833 7.819931 10.07100 
1 1 1    9    1   10 o  478.373   6.9422 34944.85  1013.64 33781.40  1572.01 35772.84  1326.15  470.132   10.955  483.909   8.9787 -13.77798 14.16444 
1 1 1    9    1   11 o  375.800   5.7207 21561.62  656.181 21080.59  1018.03 21903.51  858.253  371.472   8.9788  378.714   7.4248 -7.242249 11.65105 
1 1 1    9    1   12 o  495.722   7.6677 37531.13  1160.17 37386.98  1469.92 37769.27  1889.39  494.654   9.7359  496.984   12.456 -2.329773 15.80910 
1 1 1    9    1   13 o  253.456   4.4021  9806.20  340.549  9391.64  589.949 10013.38  417.051  247.973   7.7946  256.104   5.3353 -8.130539 9.445662 
1 1 1    9    1   14 o  183.484   5.5688  5140.00  311.870  4963.81  797.367  5171.82  338.865  179.497   14.683  184.045   6.0324 -4.547119 15.87343 
1 1 1    9    1   15 o  166.734   14.135  4284.41  712.560  4284.41  712.560   0.0000   0.0000  166.734   14.135  ?   ?  0.000000 14.13475 
1 1 1    9    1   16 o  497.628   13.629 37888.54  2070.13 37888.54  2070.13   0.0000   0.0000  497.628   13.629  ?   ?  0.000000 13.62938 
1 1 1    9    1   17 o  423.969   10.396 27473.61  1345.30 27682.29  1481.69 26494.07  3210.15  425.510   11.409  414.000   25.529 11.51059 27.96211 
1 1 1    9    1   18 o  136.525   4.0902  2845.21  170.441  2409.26  239.601  3291.78  242.505  125.611   6.2495  146.835   5.4109 -21.22479 8.266458 
1 1 1    9    1   19 o  409.834   10.199 25672.45  1275.83 25348.26  1383.19 27521.01  3302.90  407.179   11.130  421.834   25.777 -14.65524 28.07675 
1 1 1    9    1   20 f  419.275   12.482 26891.37  1597.32 27085.33  2260.17 26697.82  2257.73  420.291   17.619  417.261   17.727 3.029510 24.99362 
1 1 1    9    1   21 o  737.107   11.335 83087.21  2550.22 84305.29  4286.08 82419.65  3172.99  741.137   18.947  733.719   14.168 7.417297 23.65885 
1 1 1    9    1   22 o  589.837   9.7916 53180.14  1762.80 53748.39  2492.70 52611.63  2493.26  592.513   13.783  586.193   13.935 6.319824 19.60022 
1 1 1    9    1   23 o  289.766   4.0404 12817.64  357.347 12984.95  504.958 12649.80  505.773  291.609   5.6733  287.819   5.7573 3.790466 8.082891 
1 1 1    9    1   24 o  398.897   5.9300 24299.95  721.995 24529.01  924.854 23942.54  1155.27  400.686   7.5623  395.736   9.5645 4.951050 12.19289 
1 1 1    9    1   25 o  404.875   6.6751 25040.85  824.891 24946.86  1166.19 25134.96  1166.95  403.919   9.4593  405.441   9.4299 -1.522339 13.35671 
1 1 1    9    1   26 o  331.775   5.7277 16812.24  580.021 17307.75  818.940 16313.49  821.615  336.502   7.9735  326.676   8.2401 9.825684 11.46630 
1 1 1    9    1   27 o  601.299   7.8651 55273.99  1443.49 55771.67  2041.21 54776.13  2041.59  603.485   11.082  598.055   11.184 5.429504 15.74459 
1 1 1    9    1   28 f  227.743   5.3237  7922.64  370.063  7895.70  454.306  7975.77  637.967  227.302   6.5483  228.303   9.1553 -1.000153 11.25605 
1 1 1    9    1   29 o  560.767   8.8038 48124.73  1506.85 48969.88  1815.11 46250.79  2702.80  565.332   10.519  547.928   16.161 17.40369 19.28310 
1 1 1    9    1   30 o  105.711   2.5205  1705.84   81.325  1727.31   95.293  1648.29  156.030  106.369   2.9351  103.875   4.9213 2.494247 5.730113 
1 1 1    9    1   31 o  386.221   5.8504 22798.80  689.666 23275.09  1057.53 22446.33  909.739  389.851   8.8875  383.002   7.7821 6.848816 11.81307 
1 1 1    9    1   32 o  455.108   6.8417 31679.02  950.381 31219.72  1217.93 32394.14  1519.71  451.465   8.8385  459.455   10.837 -7.990051 13.98411 
1 1 1    9    1   33 o  678.042   11.337 70609.63  2346.27 73492.34  5855.24 70058.20  2560.87  680.653   28.184  674.957   12.431 5.695984 30.80353 
1 1 1    9    1   34 f  201.512   3.3128  6200.65  203.759  6247.44  287.725  6153.58  288.595  202.214   4.6618  200.686   4.7114 1.527313 6.627935 
1 1 1    9    1   35 o  285.653   4.8011 12468.50  418.597 12284.73  535.613 12756.87  670.968  283.421   6.1916  288.660   7.6155 -5.239227 9.814868 
1 1 1    9    1   36 o  242.375   3.7051  8972.34  274.099  8961.87  512.806  8976.53  324.315  241.992   6.9428  242.393   4.3836 -0.4003143 8.210863 
1 1 1    9    1   37 o   70.822   3.3497  765.992   72.408  725.838   90.746  836.356  120.127   68.789   4.3444   73.770   5.3720 -4.981201 6.908878 
1 1 1    9    1   38 o  175.228   2.5146  4687.79  134.490  4763.69  176.329  4582.23  207.956  176.617   3.2710  173.194   3.9339 3.422516 5.116123 
1 1 1    9    1   39 o   65.268   2.6268  650.406   52.329  645.564   62.644  661.586   95.190   65.018   3.1566   65.618   4.7858 -0.6002960 5.733067 
1 1 1    9    1   40 f  103.223   2.6799  1626.85   84.432  1654.00  112.069  1591.21  128.401  104.062   3.5284  102.052   4.1222 2.009911 5.426051 
1 1 1    9    1   41 o  298.823   5.2357 13652.97  477.537 13903.03  706.199 13442.30  648.202  301.223   7.6811  296.267   7.1682 4.956482 10.50628 
1 1 1    9    1   42 o  181.816   2.7967  5047.63  155.204  5107.39  226.686  4994.89  212.940  182.835   4.0621  180.820   3.8583 2.014694 5.602399 
1 1 1    9    1   43 o  212.943   3.0985  6924.79  201.388  6940.31  274.447  6906.69  296.433  213.121   4.2190  212.581   4.5686 0.5395813 6.218730 
1 1 1    9    1   44 o  247.398   4.7350  9355.61  357.549  9575.33  468.018  9047.62  554.117  250.152   6.1297  243.003   7.4709 7.148087 9.663733 
1 1 1    9    1   45 f  239.060   7.0526  8753.66  514.607  8876.49  666.956  8572.97  808.953  240.442   9.0880  235.919   11.234 4.522903 14.44993 
1 1 1    9    1   46 o  159.693   2.6449  3893.99  128.916  4036.37  166.868  3683.20  203.035  162.560   3.3631  155.243   4.2849 7.316528 5.447127 
1 1 1    9    1   47 o  426.124   6.2519 27799.57  813.135 28960.65  1300.87 27055.00  1041.72  433.923   9.8221  419.920   8.1277 14.00342 12.74884 
1 1 1    9    1   48 o  186.025   3.3023  5286.16  187.500  5299.31  310.711  5278.63  235.140  186.103   5.4700  185.842   4.1454 0.2610168 6.863301 
1 1 1    9    1   49 o  262.114   3.6648 10498.12  293.198 11015.56  508.931 10241.07  358.706  268.182   6.2175  258.799   4.5411 9.382965 7.699228 
1 1 1    9    1   50 o  135.237   2.7463  2793.24  113.362  2860.87  144.505  2685.00  182.798  136.834   3.4600  132.505   4.5198 4.328979 5.692129 
1 1 1    9    1   51 o   31.957   5.5675  160.896   52.332  165.866   74.160  155.966   73.858   32.223   7.6538   31.255   7.7744 0.9687195 10.90972 
1 1 1    9    1   52 o   51.160   3.2342  401.530   50.243  430.317  119.173  395.307   55.408   52.370   7.6840   50.728   3.6020 1.642300 8.486373 
1 1 1    9    1   53 o  262.378   4.0673 10529.51  325.725 10589.01  366.141 10303.75  713.202  263.043   4.5604  258.421   9.0421 4.622589 10.12702 
1 1 1    9    1   54 o  150.119   2.7726  3443.22  127.038  3230.97  191.387  3610.38  169.852  145.298   4.3155  153.657   3.6216 -8.358368 5.633822 
1 1 1    9    1   55 f  243.723   4.2524  9093.54  316.332  8848.53  514.908  9242.07  400.909  239.770   7.0359  245.483   5.3507 -5.712494 8.839276 
1 1 1    9    1   56 o   66.280   4.8912  677.223   98.250  678.479  104.977  668.360  278.965   66.295   5.2305   63.647   14.662 2.647648 15.56703 
1 1 1    9    1   57 o  118.642   3.3886  2153.70  122.709  2202.29  171.436  2102.64  175.718  119.832   4.6872  117.060   4.9180 2.771706 6.793864 
1 1 1    9    1   58 o   70.553   7.5078  778.782  159.191  703.119  213.371  873.776  239.078   66.080   10.963   73.834   10.940 -7.753387 15.48793 
1 1 1    9    1   59 o  179.611   3.9524  4944.83  216.676  4724.78  705.323  4967.76  227.686  171.098   13.619  179.987   4.1445 -8.889572 14.23542 
1 1 1    9    2    0 o  493.651   9.1892 37248.32  1383.48 37248.32  1383.48 37248.32  1383.48  493.651   9.1892  493.651   9.1892 0.000000 0.000000 
1 1 1    9    2    1 o  309.213   6.3850 14598.65  602.610 15904.55  1089.08 14022.40  723.450  322.592   11.061  303.013   7.8222 19.57919 13.54731 
1 1 1    9    2    2 o  535.924   11.863 43905.36  1940.45 43558.50  2079.70 46238.45  5393.72  533.733   12.766  546.095   32.507 -12.36237 34.92353 
1 1 1    9    2    3 o  376.713   6.8829 21669.68  791.411 21633.58  828.256 22048.64  2683.26  376.388   7.2096  378.166   23.361 -1.777039 24.44845 
1 1 1    9    2    4 f  183.861   4.8407  5160.47  271.655  5082.87  290.434  5703.02  767.939  182.470   5.2148  192.668   13.137 -10.19862 14.13423 
1 1 1    9    2    5 o  346.404   7.4568 18325.00  788.407 18217.02  896.742 18692.63  1654.69  345.347   8.5073  349.473   15.513 -4.126007 17.69226 
1 1 1    9    2    6 o  448.782   6.8814 30754.38  942.598 30027.72  1534.04 31195.14  1194.75  443.231   11.339  451.911   8.6617 -8.680206 14.26914 
1 1 1    9    2    7 o  669.946   9.9968 68579.88  2044.18 66147.61  3327.72 70053.92  2590.58  657.256   16.588  676.871   12.539 -19.61475 20.79417 
1 1 1    9    2    8 o  456.219   9.9596 31802.82  1386.86 30773.04  1609.32 34774.46  2733.81  448.665   11.752  476.312   18.804 -27.64713 22.17451 
1 1 1    9    2    9 o  812.197   13.279 100893.60  3291.91 97457.79  4478.48 104931.80  4855.25  797.443   18.400  827.296   19.228 -29.85297 26.61329 
1 1 1    9    2   10 o  260.854   4.2146 10386.78  335.559 10392.92  520.547 10382.40  438.928  260.891   6.5371  260.779   5.5145 0.1117859 8.552375 
1 1 1    9    2   11 o  794.580   13.230 96568.20  3208.52 94036.40  4364.77 99544.67  4732.57  783.304   18.256  805.729   19.244 -22.42480 26.52582 
1 1 1    9    2   12 o  213.215   5.1673  6940.19  336.280  6670.43  659.060  7035.14  391.009  208.921   10.335  214.656   5.9680 -5.734467 11.93466 
1 1 1    9    2   13 f  388.447   8.8546 23051.51  1049.83 22757.63  1136.86 24753.51  2735.87  385.925   9.6513  400.793   22.455 -14.86728 24.44112 
1 1 1    9    2   14 o  298.109   19.337 13686.81  1750.01 13686.81  1750.01   0.0000   0.0000  298.109   19.337  ?   ?  0.000000 19.33744 
1 1 1    9    2   15 o  453.216   10.300 31392.42  1424.79 31392.42  1424.79   0.0000   0.0000  453.216   10.300  ?   ?  0.000000 10.29979 
1 1 1    9    2   16 o  307.942   6.0964 14479.39  573.004 14187.99  779.172 14822.59  845.598  304.758   8.3765  311.480   8.8944 -6.721710 12.21784 
1 1 1    9    2   17 f  489.082   7.2308 36531.82  1079.41 36800.32  1342.66 36041.18  1814.99  490.778   8.9632  485.450   12.249 5.328064 15.17848 
1 1 1    9    2   18 o  371.733   14.284 21150.96  1620.68 19199.33  1991.33 24979.94  2789.24  353.335   18.529  402.435   22.801 -49.09982 29.38089 
1 1 1    9    2   19 o  587.365   35.524 53822.41  6338.69 53822.41  6338.69   0.0000   0.0000  587.365   35.524  ?   ?  0.000000 35.52402 
1 1 1    9    2   20 o  538.243   12.687 44322.04  2084.25 44951.93  2295.25 41360.84  4976.59  541.922   13.876  515.666   31.774 26.25641 34.67151 
1 1 1    9    2   21 o  281.914   6.8411 12138.06  588.654 12088.17  698.292 12260.57  1094.30  281.291   8.1333  283.074   12.665 -1.783752 15.05201 
1 1 1    9    2   22 o   58.591   3.3640  525.738   59.908  477.578   94.548  558.044   77.436   55.640   5.6455   60.313   4.2333 -4.672867 7.056398 
1 1 1    9    2   23 o  349.148   5.5366 18614.45  590.023 18678.54  943.655 18573.32  756.030  349.596   8.8436  348.699   7.1035 0.8975220 11.34323 
1 1 1    9    2   24 o  753.062   11.139 86761.05  2560.35 86541.32  4304.02 86881.39  3185.23  750.394   18.792  753.073   13.858 -2.679016 23.34872 
1 1 1    9    2   25 o  198.346   3.3451  6005.40  202.512  5969.74  263.756  6056.60  316.085  197.739   4.3701  199.154   5.1999 -1.415756 6.792429 
1 1 1    9    2   26 o  128.457   2.8105  2518.77  110.193  2562.88  179.443  2492.08  139.619  129.556   4.5379  127.766   3.5802 1.789505 5.780161 
1 1 1    9    2   27 o  582.404   11.268 51954.96  2003.09 50838.73  3607.49 52452.51  2408.50  573.659   20.603  584.721   13.495 -11.06171 24.62948 
1 1 1    9    2   28 o  232.698   4.7327  8269.75  336.140  8375.89  473.975  8162.35  476.785  234.104   6.6333  231.094   6.7595 3.009842 9.470604 
1 1 1    9    2   29 o  193.453   4.1562  5715.01  245.407  5691.13  332.508  5743.58  363.702  192.997   5.6446  193.863   6.1466 -0.8660736 8.345202 
1 1 1    9    2   30 o  318.522   4.6374 15497.10  450.852 15523.09  552.328 15445.19  780.475  318.719   5.6777  317.706   8.0485 1.013031 9.849616 
1 1 1    9    2   31 o  177.285   3.5938  4799.33  194.468  4778.05  215.504  4892.68  451.278  176.879   3.9917  178.779   8.2701 -1.899979 9.183041 
1 1 1    9    2   32 o  347.397   6.4125 18453.87  679.935 20203.10  1391.51 17905.23  779.304  362.483   12.577  342.075   7.4639 20.40768 14.62512 
1 1 1    9    2   33 o  148.592   3.3456  3371.49  151.737  3275.21  206.839  3483.67  223.279  146.417   4.6283  150.997   4.8446 -4.579987 6.700136 
1 1 1    9    2   34 o  172.876   2.8111  4562.86  148.331  4694.49  210.541  4433.13  209.012  175.317   3.9346  170.363   4.0195 4.953110 5.624726 
1 1 1    9    2   35 o  333.040   5.2882 16953.31  537.549 16788.98  688.469 17209.94  860.359  331.253   6.8094  335.154   8.4104 -3.900879 10.82141 
1 1 1    9    2   36 o  177.062   2.5222  4786.31  136.309  4849.83  215.032  4743.65  176.243  178.185   3.9538  176.249   3.2762 1.936188 5.134771 
1 1 1    9    2   37 o  399.283   5.1570 24369.90  628.483 24699.84  1084.01 24202.83  771.358  401.346   8.8491  397.746   6.3538 3.600067 10.89388 
1 1 1    9    2   38 o  135.697   2.6957  2811.44  111.651  2837.06  158.199  2786.01  157.599  136.283   3.8032  135.051   3.8233 1.232407 5.392761 
1 1 1    9    2   39 o  347.215   5.2896 18432.44  560.582 18994.38  717.668 17552.98  897.813  352.276   6.6746  338.302   8.6949 13.97440 10.96134 
1 1 1    9    2   40 o  231.585   5.0001  8198.55  353.433  8341.90  499.242  8054.53  500.419  233.412   7.0076  229.341   7.1488 4.071014 10.01065 
1 1 1    9    2   41 o  136.262   3.1476  2835.51  130.911  2883.31  145.327  2629.79  301.478  137.396   3.4654  130.796   7.5843 6.600342 8.338488 
1 1 1    9    2   42 o  215.331   3.3768  7081.80  221.935  7171.44  247.153  6708.53  504.325  216.671   3.7372  209.211   7.8978 7.459564 8.737437 
1 1 1    9    2   43 o  170.237   3.6868  4427.00  191.566  4414.62  271.604  4439.25  270.231  169.917   5.2370  170.393   5.1960 -0.4760590 7.377276 
1 1 1    9    2   44 o  119.523   3.0959  2181.68  112.944  2192.07  135.915  2158.47  203.030  119.790   3.7173  118.794   5.5995 0.9961014 6.721088 
1 1 1    9    2   45 o  287.744   8.2156 12698.91  721.542 12752.98  930.893 12617.53  1141.99  287.881   10.594  285.727   13.095 2.154266 16.84361 
1 1 1    9    2   46 o  331.241   4.0231 16765.63  406.740 18112.77  621.479 15756.27  537.954  344.040   5.9183  320.941   5.4917 23.09906 8.073722 
1 1 1    9    2   47 o   93.958   2.8803  1348.18   82.601  1419.24  223.961  1336.99   88.866   95.895   7.7170   93.562   3.1119 2.333336 8.320845 
1 1 1    9    2   48 o  222.819   3.6514  7585.75  248.329  7819.81  411.581  7451.77  311.394  226.011   5.9664  220.765   4.6213 5.245499 7.546759 
1 1 1    9    2   49 o   83.951   2.7865  1076.34   71.399  960.027  149.053  1110.98   81.339   78.926   6.2382   85.283   3.1248 -6.357010 6.977088 
1 1 1    9    2   50 o  463.593   5.9891 32918.92  847.459 33953.62  1226.34 31973.14  1172.45  469.936   8.5498  456.074   8.4225 13.86154 12.00157 
1 1 1    9    2   51 o   45.509   4.5640  319.962   62.542  346.879  117.390  309.294   73.903   46.772   8.5375   44.602   5.5486 2.170128 10.18213 
1 1 1    9    2   52 o  211.316   3.9891  6828.10  257.294  6931.63  466.053  6782.71  308.582  212.448   7.1873  210.521   4.8024 1.927536 8.644085 
1 1 1    9    2   53 o  217.126   3.0903  7204.07  204.800  7505.55  274.745  6827.08  307.232  221.518   4.0635  211.180   4.7665 10.33842 6.263511 
1 1 1    9    2   54 o  168.237   5.6729  4340.84  291.303  4598.20  441.101  4141.79  387.930  172.653   8.3704  163.985   7.7505 8.668106 11.40764 
1 1 1    9    2   55 o   56.104   3.2911  482.922   56.111  472.481   97.575  488.080   68.586   55.167   5.8857   56.331   4.0153 -1.164497 7.124924 
1 1 1    9    2   56 o  155.375   4.7078  3700.65  223.265  3794.37  386.706  3653.78  273.443  156.444   8.1265  154.210   5.8095 2.234039 9.989484 
1 1 1    9    2   57 o  174.703   4.9238  4683.66  262.554  4713.75  280.120  4466.06  753.284  175.200   5.2383  166.278   15.004 8.921677 15.89224 
1 1 1    9    2   58 o   47.834   12.128  375.921  177.314  534.144  527.338  355.752  188.277   59.461   21.969   46.561   12.835 12.89971 25.44316 
1 1 1    9    2   59 o   81.605   4.8225  1026.51  119.585  1016.94  138.157  1055.08  238.793   81.080   5.6173   81.510   9.7944 -0.4303970 11.29089 
1 1 1    9    3    0 o  137.520   3.3781  2891.58  141.602  2891.58  141.602  2891.58  141.602  137.520   3.3781  137.520   3.3781 0.000000 0.000000 
1 1 1    9    3    1 o  279.913   5.9000 11962.27  504.071 14202.88  913.170 10980.35  604.515  304.890   9.8128  268.147   7.3861 36.74377 12.28191 
1 1 1    9    3    2 o  677.785   17.794 70375.77  3681.25 72566.77  4752.80 67090.41  5819.95  687.446   22.651  659.727   28.903 27.71869 36.72120 
1 1 1    9    3    3 o  330.506   7.6109 16682.01  767.768 16402.29  822.643 18571.30  2137.96  327.704   8.2246  347.399   20.251 -19.69562 21.85718 
1 1 1    9    3    4 o  441.183   6.7235 29720.96  905.378 28702.80  1126.43 31579.14  1521.75  433.489   8.5135  454.559   10.968 -21.06998 13.88461 
1 1 1    9    3    5 o  111.219   3.6191  1888.06  122.856  1817.29  138.275  2153.37  267.728  109.112   4.1520  118.513   7.4391 -9.400948 8.519292 
1 1 1    9    3    6 o  461.896   7.3276 32580.84  1033.05 31341.67  1265.10 35060.62  1789.64  452.944   9.1509  478.869   12.244 -25.92514 15.28595 
1 1 1    9    3    7 o  797.544   17.024 97421.29  4144.05 97351.39  8137.23 97445.77  4815.27  793.155   33.613  797.143   19.791 -3.988098 39.00621 
1 1 1    9    3    8 o  290.752   5.3702 12905.89  476.570 12394.77  672.956 13420.10  674.991  284.881   7.7394  296.438   7.4601 -11.55682 10.74951 
1 1 1    9    3    9 o  564.271   11.604 48674.57  1998.54 50609.17  3407.44 47660.04  2467.54  574.495   19.432  558.095   14.486 16.40015 24.23739 
1 1 1    9    3   10 o  608.615   10.086 56602.79  1873.62 54442.28  2648.57 58767.00  2650.84  596.468   14.548  619.766   14.013 -23.29852 20.19947 
1 1 1    9    3   11 o  501.154   9.6603 38375.64  1477.67 36285.08  2089.58 40466.86  2089.91  486.984   14.058  514.348   13.312 -27.36481 19.36101 
1 1 1    9    3   12 o  668.668   27.852 68932.15  5684.33 65615.57  8038.13 72249.92  8039.58  647.416   40.888  680.276   38.881 -32.85980 56.42278 
1 1 1    9    3   13 o  191.693   4.4176  5609.33  258.468  5744.96  365.664  5473.89  365.395  193.972   6.1763  189.338   6.3228 4.633804 8.838756 
1 1 1    9    3   14 o  589.880   24.730 53543.87  4452.43 53285.96  6296.79 53801.77  6296.58  584.909   35.438  587.804   35.259 -2.894714 49.99021 
1 1 1    9    3   15 o  256.707   4.9512 10060.31  387.943  9974.61  504.895 10183.83  606.151  255.581   6.4722  258.217   7.6909 -2.635818 10.05188 
1 1 1    9    3   16 o  579.951   10.484 51409.40  1855.86 53029.66  2420.94 49100.25  2890.13  588.723   13.473  566.101   16.727 22.62219 21.47771 
1 1 1    9    3   17 o  766.649   21.110 90271.95  4939.67 89223.80  5701.29 93427.63  9892.59  761.337   24.535  771.569   42.166 -10.23236 48.78469 
1 1 1    9    3   18 o  271.313   5.3813 11238.59  445.633 11538.58  582.355 10814.71  692.232  274.871   6.9413  266.062   8.5242 8.809479 10.99288 
1 1 1    9    3   19 o  235.959   3.9010  8498.88  280.947  8508.98  349.707  8480.50  471.808  236.085   4.8531  235.654   6.5595 0.4302216 8.159662 
1 1 1    9    3   20 o  145.455   3.5154  3229.44  156.070  3222.03  215.313  3237.65  226.549  145.275   4.8558  145.624   5.0970 -0.3487396 7.039753 
1 1 1    9    3   21 o  328.992   7.2659 16532.50  729.610 15999.70  844.463 18101.34  1449.06  323.593   8.5500  343.857   13.807 -20.26324 16.23976 
1 1 1    9    3   22 o  110.516   3.5726  1864.38  120.511  1718.76  175.523  1994.25  165.753  105.956   5.4458  114.290   4.7515 -8.333862 7.227294 
1 1 1    9    3   23 o  212.060   4.6967  6865.72  303.994  7091.09  448.641  6674.42  413.349  215.462   6.8220  209.045   6.4783 6.417114 9.407844 
1 1 1    9    3   24 o  577.172   8.8219 50921.75  1554.11 52438.83  2531.28 50003.91  1968.89  584.956   14.178  571.652   11.284 13.30389 18.12007 
1 1 1    9    3   25 o  173.019   2.9778  4569.47  157.255  4573.46  216.707  4565.04  228.551  173.079   4.1022  172.915   4.3304 0.1634064 5.964933 
1 1 1    9    3   26 o  354.072   5.3759 19147.20  580.977 19336.63  744.316 18851.84  929.426  355.734   6.8551  351.115   8.6726 4.619324 11.05471 
1 1 1    9    3   27 o  468.431   7.3115 33541.46  1045.37 34505.61  1602.14 32826.69  1379.47  474.622   11.060  463.120   9.7589 11.50128 14.74957 
1 1 1    9    3   28 o  218.307   5.1664  7279.79  344.252  6875.17  728.997  7395.92  390.540  211.485   11.335  220.014   5.8156 -8.529434 12.73967 
1 1 1    9    3   29 o  473.217   10.046 34307.53  1451.01 33266.23  1790.03 36302.80  2477.84  465.464   12.600  485.121   16.734 -19.65680 20.94722 
1 1 1    9    3   30 o   95.628   2.3495  1395.92   68.578  1388.39  124.883  1399.17   82.057   95.344   4.2914   95.735   2.8082 -0.3909683 5.128535 
1 1 1    9    3   31 o  247.038   5.1618  9324.92  389.206  9399.13  646.695  9282.77  487.349  247.756   8.5518  246.393   6.4803 1.363281 10.72976 
1 1 1    9    3   32 o  145.182   4.6619  3220.11  206.581  3215.86  237.561  3233.30  418.367  145.061   5.3655  144.931   9.5103 0.1305389 10.91945 
1 1 1    9    3   33 o  349.163   5.6940 18636.38  606.823 18595.76  989.868 18660.84  768.076  348.301   9.3112  349.219   7.2059 -0.9176941 11.77386 
1 1 1    9    3   34 o  206.941   4.0008  6541.17  252.702  6754.62  554.145  6485.12  283.945  209.960   8.6471  206.029   4.5153 3.931290 9.755014 
1 1 1    9    3   35 o  353.267   5.0843 19073.34  548.218 19722.43  864.719 18637.12  708.891  358.859   7.8947  349.023   6.6544 9.836487 10.32505 
1 1 1    9    3   36 o  156.600   3.5439  3745.35  169.390  4021.47  514.969  3711.85  179.371  161.469   10.506  155.890   3.7698 5.578445 11.16204 
1 1 1    9    3   37 o  137.718   2.9853  2896.07  125.487  2937.41  170.178  2846.81  185.775  138.667   4.0208  136.496   4.4592 2.170898 6.004260 
1 1 1    9    3   38 o  188.903   3.1059  5449.22  179.076  5537.29  267.278  5377.48  241.225  190.353   4.6003  187.607   4.2127 2.746338 6.237729 
1 1 1    9    3   39 o  109.526   2.3441  1831.40   78.364  1796.24  127.095  1852.96   99.537  108.437   3.8400  110.157   2.9604 -1.720757 4.848693 
1 1 1    9    3   40 o   27.281   8.9678  109.117   86.400  163.243  219.095   99.150   94.019   37.599   14.107   26.892   9.3521 10.70746 16.92529 
1 1 1    9    3   41 f  256.634   6.7751 10082.95  530.698 10461.34  1370.03 10016.14  575.641  258.566   17.462  255.708   7.3755 2.857468 18.95566 
1 1 1    9    3   42 o  273.925   3.6511 11461.75  305.259 12056.18  422.392 10811.87  441.655  280.832   4.9278  265.896   5.4419 14.93588 7.341525 
1 1 1    9    3   43 o  529.446   7.7320 42958.90  1249.48 43276.25  1601.12 42464.63  1998.20  530.694   9.8847  524.632   12.479 6.061707 15.91926 
1 1 1    9    3   44 o  147.543   3.4563  3325.04  155.650  3492.74  225.749  3173.06  214.898  151.152   4.8932  144.070   4.8870 7.082947 6.915649 
1 1 1    9    3   45 o  102.721   3.3132  1611.62  103.879  1827.25  147.839  1401.35  145.992  109.342   4.4298   95.604   5.0206 13.73794 6.695536 
1 1 1    9    3   46 o  174.282   3.0619  4638.85  162.875  5113.34  227.996  4144.32  232.758  182.926   4.0835  164.652   4.6315 18.27344 6.174612 
1 1 1    9    3   47 o   53.275   3.5655  435.548   57.644  522.437  171.102  424.424   61.223   57.436   10.130   52.564   3.8427 4.872608 10.83465 
1 1 1    9    3   48 o  180.735   2.6715  4988.24  147.371  5203.16  195.068  4702.47  224.936  184.548   3.4631  175.400   4.2016 9.147964 5.444819 
1 1 1    9    3   49 o  216.849   3.2589  7183.62  215.699  7374.78  417.529  7114.03  251.919  219.419   6.2344  215.755   3.8255 3.664658 7.314501 
1 1 1    9    3   50 f  245.842   3.3315  9234.18  249.987  9281.47  406.293  9205.36  317.120  246.240   5.4059  245.371   4.2343 0.8683624 6.866785 
1 1 1    9    3   51 o   98.418   3.3627  1480.11  101.015  1466.60  129.503  1501.09  161.428   97.927   4.3327   98.870   5.3694 -0.9438934 6.899502 
1 1 1    9    3   52 o   77.189   3.7165  910.841   87.560  933.516  172.726  902.999  101.579   77.603   7.3812   76.708   4.3566 0.8953934 8.570936 
1 1 1    9    3   53 o  127.353   2.6491  2477.58  102.972  2714.84  187.836  2375.65  123.121  133.178   4.6209  124.675   3.2355 8.502708 5.641034 
1 1 1    9    3   54 o   65.219   3.5078  652.267   69.570  695.906   91.513  592.510  107.087   67.273   4.4824   61.889   5.7342 5.384689 7.278281 
1 1 1    9    3   55 o  208.994   5.2645  6699.04  335.819  6656.96  673.555  6712.97  387.403  206.469   10.725  209.040   6.0718 -2.570465 12.32448 
1 1 1    9    3   56 o  150.334   3.6529  3458.52  167.615  3564.14  240.091  3358.10  234.110  152.404   5.1613  147.930   5.1850 4.474487 7.315972 
1 1 1    9    3   57 o  160.230   3.1984  3927.47  156.423  3965.59  257.305  3905.11  197.009  160.683   5.2464  159.660   4.0427 1.022873 6.623294 
1 1 1    9    3   58 o  222.621   9.2052  7730.84  625.485  7994.17  762.224  7187.91  1094.47  225.286   11.085  208.421   17.363 16.86436 20.59937 
1 1 1    9    3   59 o  109.987   3.2749  1851.88  109.941  1993.70  161.820  1730.30  149.830  113.942   4.6530  106.152   4.6244 7.789505 6.560112 
1 1 1    9    4    0 o  134.361   4.7156  2765.64  192.848  2765.64  192.848  2765.64  192.848  134.361   4.7156  134.361   4.7156 0.000000 0.000000 
1 1 1    9    4    1 o   99.289   2.9925  1504.64   90.690  1502.22  129.474  1506.98  127.069   99.203   4.2760   99.360   4.1899 -0.1574936 5.986667 
1 1 1    9    4    2 o  734.334   15.901 82550.67  3564.02 81688.53  3820.22 88339.28  9898.92  730.307   17.138  751.032   43.367 -20.72559 46.63108 
1 1 1    9    4    3 o  408.507   8.9039 25492.30  1110.19 25560.27  1189.95 25035.70  3084.29  409.022   9.5316  402.682   25.222 6.339081 26.96249 
1 1 1    9    4    4 o  438.028   8.2211 29305.87  1099.14 28954.48  1150.55 32976.00  3718.32  435.374   8.6582  462.104   26.473 -26.72919 27.85287 
1 1 1    9    4    5 o  372.409   5.8723 21174.55  667.494 20527.46  830.606 22354.41  1121.58  366.628   7.4225  382.506   9.6067 -15.87875 12.14012 
1 1 1    9    4    6 o  158.479   4.6417  3833.94  224.524  3841.56  427.272  3831.03  263.897  158.331   8.8772  158.410   5.4580 -0.7957458E-01 10.42089 
1 1 1    9    4    7 o  271.119   5.2762 11221.77  436.618 11176.87  590.864 11275.77  648.029  270.537   7.1556  271.714   7.8139 -1.177399 10.59522 
1 1 1    9    4    8 o  276.708   10.186 11700.55  860.248 11275.84  1052.93 12553.16  1491.85  271.540   12.704  285.754   17.185 -14.21341 21.37080 
1 1 1    9    4    9 o  199.319   4.6484  6064.66  282.792  6010.19  322.231  6247.20  589.910  198.413   5.3208  202.206   9.5582 -3.792084 10.93939 
1 1 1    9    4   10 o  251.780   7.0714  9680.83  543.430 11179.82  1324.75  9377.55  595.873  269.720   16.166  247.785   7.8788 21.93541 17.98398 
1 1 1    9    4   11 o   81.045   3.3144  1002.53   81.988  968.731  118.345  1033.72  113.692   79.509   4.9005   82.164   4.5512 -2.655586 6.687945 
1 1 1    9    4   12 o  491.054   10.600 36855.23  1588.77 36954.36  2914.49 36813.31  1895.11  490.840   19.454  490.617   12.655 0.2222900 23.20799 
1 1 1    9    4   13 o  475.937   11.123 34627.20  1615.83 34189.21  1924.91 35672.14  2973.19  472.743   13.340  482.133   20.204 -9.389679 24.21097 
1 1 1    9    4   14 o  275.611   4.5944 11595.97  386.496 11351.12  489.099 12003.08  630.680  272.660   5.8770  280.343   7.3706 -7.682526 9.426835 
1 1 1    9    4   15 o  591.430   13.964 53528.48  2520.79 52521.81  2730.73 59330.78  6555.95  585.684   15.276  617.291   34.939 -31.60651 38.13265 
1 1 1    9    4   16 o  505.783   9.2659 39088.57  1430.43 39072.34  1503.12 39244.35  4655.99  505.645   9.7394  502.873   30.478 2.771912 31.99667 
1 1 1    9    4   17 o  557.713   11.273 47557.28  1919.01 46473.62  2018.32 57763.36  6194.01  551.255   11.996  609.381   33.429 -58.12604 35.51640 
1 1 1    9    4   18 o  432.986   6.9267 28631.80  915.407 28327.05  1121.74 29239.35  1583.84  430.595   8.5350  437.251   11.868 -6.655487 14.61807 
1 1 1    9    4   19 o  113.141   3.0751  1953.86  106.192  2047.10  179.873  1903.97  131.568  115.795   5.0893  111.683   3.8596 4.111740 6.387332 
1 1 1    9    4   20 o  368.671   5.4931 20752.92  618.123 20938.45  1006.13 20640.45  783.399  370.167   8.9051  367.615   6.9819 2.552094 11.31580 
1 1 1    9    4   21 o  529.898   12.330 42964.53  1994.14 42679.91  2159.02 44617.29  5202.78  528.016   13.397  535.086   32.003 -7.070984 34.69381 
1 1 1    9    4   22 o  757.277   14.336 87849.91  3313.49 84264.38  4475.10 92201.09  4929.79  740.393   19.803  774.171   20.863 -33.77783 28.76465 
1 1 1    9    4   23 o  337.530   6.8195 17402.67  702.561 17049.39  947.143 17834.85  1047.57  333.953   9.2921  341.509   10.050 -7.555756 13.68742 
1 1 1    9    4   24 o  340.075   8.1122 17675.47  842.036 17475.80  1000.78 18159.44  1558.05  338.043   9.6995  344.111   14.834 -6.067993 17.72391 
1 1 1    9    4   25 o  508.173   9.0372 39491.28  1401.72 38591.69  2067.45 40256.60  1906.93  501.718   13.501  512.643   12.187 -10.92490 18.18784 
1 1 1    9    4   26 o  289.758   4.7318 12821.42  418.483 12999.21  564.139 12603.87  624.032  291.686   6.3366  287.173   7.1194 4.512878 9.530918 
1 1 1    9    4   27 o  377.868   5.8471 21814.66  674.374 21694.57  1248.55 21864.12  801.314  376.315   10.870  378.210   6.9415 -1.895355 12.89751 
1 1 1    9    4   28 o  233.053   5.5405  8298.17  394.110  8051.17  483.519  8787.06  680.272  229.488   6.9030  239.576   9.3030 -10.08885 11.58433 
1 1 1    9    4   29 o   96.624   2.7443  1425.25   80.934  1325.83  136.440  1479.22  100.530   93.039   4.8212   98.429   3.3462 -5.390038 5.868622 
1 1 1    9    4   30 o  116.642   2.3471  2076.83   83.562  2111.87  115.876  2038.87  120.616  117.609   3.2280  115.555   3.4198 2.053825 4.702659 
1 1 1    9    4   31 o  166.131   2.8409  4213.59  144.054  3999.82  180.838  4584.79  238.298  161.841   3.6609  173.244   4.5065 -11.40285 5.806102 
1 1 1    9    4   32 o  504.761   8.1349 39010.67  1253.30 39242.71  2042.34 38870.50  1587.32  504.894   13.253  503.348   10.332 1.545868 16.80439 
1 1 1    9    4   33 o  248.129   5.9648  9413.48  451.740 10512.74  950.871  9093.05  513.375  261.493   11.914  243.793   6.8992 17.69933 13.76711 
1 1 1    9    4   34 o  191.815   3.0833  5617.94  180.516  5549.21  256.135  5685.77  254.452  190.586   4.4031  192.921   4.3213 -2.334503 6.169332 
1 1 1    9    4   35 o  506.789   6.7600 39299.21  1045.66 38160.67  1513.96 40337.77  1445.96  498.632   9.9476  512.859   9.2372 -14.22656 13.57498 
1 1 1    9    4   36 o  281.510   3.9737 12105.67  341.436 11798.53  620.063 12239.32  409.034  277.601   7.3181  283.004   4.7353 -5.402924 8.716535 
1 1 1    9    4   37 o  527.921   8.4422 42723.61  1360.32 43270.46  1994.34 42247.84  1860.21  529.950   12.330  523.923   11.633 6.026917 16.95098 
1 1 1    9    4   38 o  172.314   3.9913  4536.07  209.919  4375.23  421.599  4589.10  242.057  168.952   8.1756  173.290   4.5764 -4.338516 9.369334 
1 1 1    9    4   39 o  238.792   5.0299  8716.93  366.602  8563.48  540.448  8847.72  498.942  236.438   7.4889  240.409   6.7996 -3.971115 10.11527 
1 1 1    9    4   40 o  164.053   4.0037  4111.80  200.478  3952.25  283.587  4271.19  283.450  160.743   5.7801  167.118   5.5569 -6.374649 8.018062 
1 1 1    9    4   41 o  445.949   7.8993 30481.15  1075.21 30545.88  1520.82 30416.46  1520.33  445.460   11.185  444.509   11.206 0.9516296 15.83293 
1 1 1    9    4   42 o  182.685   3.4856  5097.52  194.354  5404.36  331.316  4936.54  239.982  187.964   5.7750  179.733   4.3745 8.230408 7.244811 
1 1 1    9    4   43 o  183.304   3.4501  5132.12  193.027  5194.93  274.340  5070.54  271.643  184.344   4.8758  182.123   4.8867 2.221115 6.903114 
1 1 1    9    4   44 o   74.348   4.5436  848.007  102.612  993.399  128.648  593.758  170.123   80.427   5.2697   61.492   9.3595 18.93547 10.74105 
1 1 1    9    4   45 o  384.071   6.8806 22593.00  806.598 24621.06  1392.94 21569.92  989.346  399.682   11.418  374.885   8.6464 24.79684 14.32262 
1 1 1    9    4   46 o  259.094   4.6588 10262.57  368.424 11097.14  506.099  9321.69  537.367  269.249   6.1584  246.644   7.1381 22.60510 9.427521 
1 1 1    9    4   47 o  260.000   3.1432 10325.22  249.442 11170.57  348.088  9432.88  357.633  270.344   4.2185  248.381   4.7174 21.96255 6.328460 
1 1 1    9    4   48 o   19.343   5.1659   59.222   31.075   82.490   67.106   52.870   35.061   23.823   7.9068   18.570   5.6676 5.252209 9.728295 
1 1 1    9    4   49 o  117.121   2.5600  2094.78   91.516  2320.87  155.479  1974.93  113.204  123.216   4.1341  113.699   3.2620 9.517662 5.266112 
1 1 1    9    4   50 o  259.857   3.4905 10318.55  276.845 10873.28  450.748  9982.54  350.811  266.488   5.5416  255.482   4.4988 11.00670 7.137855 
1 1 1    9    4   51 o   62.543   4.1223  600.735   78.252  575.706  220.238  604.351   83.714   59.810   12.468   62.705   4.4019 -2.895325 13.22264 
1 1 1    9    4   52 o  270.860   6.3145 11253.86  522.036 11984.32  1106.72 11044.83  592.037  277.190   13.081  268.118   7.2344 9.071350 14.94834 
1 1 1    9    4   53 o  208.971   3.3982  6675.44  216.743  6791.54  307.078  6560.18  305.968  210.609   4.7770  206.981   4.8431 3.627792 6.802621 
1 1 1    9    4   54 o  344.669   6.3621 18249.33  669.301 18206.22  913.797 18299.22  983.062  343.274   8.7215  343.827   9.3675 -0.5524292 12.79902 
1 1 1    9    4   55 o   32.721   5.2347  168.276   50.517  160.589   72.476  175.540   70.450   31.644   7.5995   33.129   7.1748 -1.485498 10.45134 
1 1 1    9    4   56 o   57.265   4.0677  504.731   70.636  564.546  109.861  462.577   92.227   60.292   6.0516   54.590   5.6152 5.701492 8.255448 
1 1 1    9    4   57 o  196.921   3.8141  5938.64  229.247  6025.35  328.289  5856.12  320.268  197.999   5.4322  195.212   5.3751 2.785965 7.642065 
1 1 1    9    4   58 o  164.460   3.5895  4141.98  180.184  4103.18  246.175  4186.74  264.443  163.438   4.9349  165.023   5.2501 -1.585220 7.205333 
1 1 1    9    5    0 o   82.316   7.8912  1062.74  194.080  1062.74  194.080  1062.74  194.080   82.316   7.8912   82.316   7.8912 0.000000 0.000000 
1 1 1    9    5    1 o  970.117   12.646 143915.50  3744.50 144003.50  5167.10 143818.09  5434.00  969.531   17.461  968.708   18.378 0.8239136 25.35063 
1 1 1    9    5    2 o  460.486   8.2958 32388.93  1165.98 32035.09  1220.46 36088.95  3946.59  457.942   8.7316  483.369   26.856 -25.42651 28.23981 
1 1 1    9    5    3 o   91.920   3.0519  1289.60   85.625  1296.40   89.934  1223.67  279.978   92.161   3.1971   88.863   10.527 3.298653 11.00203 
1 1 1    9    5    4 o  286.027   6.2390 12491.54  544.681 12254.68  620.341 13288.75  1138.08  283.280   7.1746  294.787   12.649 -11.50677 14.54189 
1 1 1    9    5    5 o  600.547   10.295 55114.85  1887.00 53363.99  2462.29 57606.48  2937.35  590.628   13.659  613.424   15.688 -22.79608 20.80107 
1 1 1    9    5    6 o  460.720   8.8345 32426.28  1242.32 31416.52  1679.27 33647.07  1846.42  453.288   12.137  469.047   12.897 -15.75839 17.71040 
1 1 1    9    5    7 o  555.926   12.654 47263.03  2147.18 47714.54  5561.79 47183.95  2327.63  554.305   33.023  555.358   13.732 -1.053650 35.76462 
1 1 1    9    5    8 o  370.431   8.5846 20961.38  970.610 20149.45  2513.52 21103.67  1052.23  361.410   22.904  371.656   9.2758 -10.24542 24.71121 
1 1 1    9    5    9 f  479.243   9.3056 35091.00  1361.18 34301.66  1925.40 35879.69  1924.60  473.538   13.321  484.333   13.019 -10.79547 18.62673 
1 1 1    9    5   10 o  692.841   13.157 73427.68  2782.35 74525.38  3935.25 72330.45  3934.41  697.215   18.492  686.824   18.768 10.39099 26.34766 
1 1 1    9    5   11 o  395.660   10.123 23924.05  1222.54 24931.16  2939.35 23713.38  1344.33  401.903   24.072  393.854   11.183 8.048523 26.54301 
1 1 1    9    5   12 o  184.476   3.5775  5194.48  201.433  5333.83  345.344  5122.63  247.988  186.903   6.0537  183.187   4.4353 3.716232 7.504556 
1 1 1    9    5   13 o  642.675   9.7610 63117.14  1914.70 62710.32  3117.40 63363.57  2426.27  639.890   15.961  643.672   12.350 -3.782043 20.18125 
1 1 1    9    5   14 f  371.584   5.2601 21080.07  596.580 21460.20  843.804 20700.14  843.580  374.849   7.3751  368.146   7.5074 6.702972 10.52394 
1 1 1    9    5   15 o  302.720   6.1537 13992.89  568.580 13992.89  568.580   0.0000   0.0000  302.720   6.1537  ?   ?  0.000000 6.153651 
1 1 1    9    5   16 o  532.704   13.263 43419.20  2156.52 43419.20  2156.52   0.0000   0.0000  532.704   13.263  ?   ?  0.000000 13.26330 
1 1 1    9    5   17 o  408.427   7.7435 25480.53  965.311 25189.20  1306.74 25830.47  1432.17  405.928   10.547  411.004   11.417 -5.075500 15.54262 
1 1 1    9    5   18 o  137.515   3.6416  2886.55  152.846  3034.33  224.319  2758.48  208.826  140.976   5.2132  134.417   5.0900 6.559540 7.285939 
1 1 1    9    5   19 o  280.582   8.1466 12027.51  697.675   0.0000   0.0000 12027.51  697.675  ?   ?   280.582   8.1466 0.000000 8.146599 
1 1 1    9    5   20 o  309.353   5.6079 14612.73  529.510 14957.25  950.264 14457.59  637.685  312.797   9.9532  307.668   6.7906 5.129272 12.04902 
1 1 1    9    5   21 o  359.924   6.0378 19783.24  663.296 18863.65  867.035 21080.87  1029.94  351.366   8.0846  371.384   9.0860 -20.01782 12.16210 
1 1 1    9    5   22 o  280.568   3.7609 12016.63  322.071 12257.25  466.912 11798.23  444.842  283.321   5.3993  277.970   5.2431 5.351166 7.526175 
1 1 1    9    5   23 o  110.193   3.4597  1853.56  116.363  1747.20  159.261  1975.37  170.430  106.971   4.8778  113.741   4.9092 -6.770065 6.920526 
1 1 1    9    5   24 o  265.309   6.4132 10752.92  519.330 10489.40  598.082 11560.56  1047.05  261.991   7.4792  274.708   12.488 -12.71780 14.55606 
1 1 1    9    5   25 o  343.681   6.7426 18048.44  707.292 17951.32  998.443 18146.26  1002.09  342.539   9.5498  344.396   9.5331 -1.856323 13.49365 
1 1 1    9    5   26 o  158.113   5.6997  3819.09  275.068   0.0000   0.0000  3819.09  275.068  ?   ?   158.113   5.6997 0.000000 5.699749 
1 1 1    9    5   27 o  681.730   10.232 71187.32  2129.03 63909.06  3939.20 74190.70  2530.45  642.598   20.084  695.509   11.920 -52.91071 23.35501 
1 1 1    9    5   28 o  226.358   6.5870  7832.76  455.096  7161.21  644.719  8499.68  642.492  216.218   9.7693  235.630   8.9335 -19.41287 13.23803 
1 1 1    9    5   29 o  249.367   4.5891  9498.53  349.289  9664.87  474.870  9302.44  515.576  251.448   6.1874  246.643   6.8487 4.805130 9.229747 
1 1 1    9    5   30 o  128.643   3.3708  2526.89  132.355  2624.35  196.741  2446.32  178.887  131.061   4.9182  126.546   4.6314 4.515450 6.755614 
1 1 1    9    5   31 o  369.742   6.7284 20909.31  759.320 20962.56  1076.29 20856.54  1071.41  369.802   9.5354  368.869   9.5163 0.9331665 13.47161 
1 1 1    9    5   32 o  316.917   7.2765 15369.30  703.855 15277.34  2006.45 15382.21  751.619  312.158   21.184  316.990   7.7685 -4.832153 22.56386 
1 1 1    9    5   33 o  274.038   4.0840 11470.93  341.600 11559.30  655.284 11437.95  400.294  274.764   7.8136  273.598   4.7935 1.166443 9.166793 
1 1 1    9    5   34 o  133.883   2.6869  2736.64  109.799  2635.72  154.924  2838.49  155.638  131.363   3.8639  136.326   3.7404 -4.962967 5.377789 
1 1 1    9    5   35 o  190.714   3.7058  5555.23  215.714  5839.85  296.841  5236.73  314.014  195.474   4.9753  185.072   5.5589 10.40253 7.460238 
1 1 1    9    5   36 o  157.593   2.7036  3791.92  130.045  4095.45  186.300  3503.47  181.613  163.746   3.7276  151.443   3.9290 12.30325 5.415869 
1 1 1    9    5   37 o  389.305   5.3113 23171.43  631.115 23473.97  873.160 22840.48  913.253  391.522   7.3067  386.121   7.7491 5.401459 10.65065 
1 1 1    9    5   38 o  476.667   8.4722 34840.36  1232.62 37805.57  2618.22 33996.01  1397.14  492.787   17.407  470.501   9.7289 22.28662 19.94150 
1 1 1    9    5   39 o  190.068   7.5224  5534.38  436.396  5661.52  617.048  5407.15  617.266  191.593   10.593  187.177   10.851 4.415634 15.16418 
1 1 1    9    5   40 o  173.212   3.0969  4581.75  163.730  4634.60  209.945  4499.72  261.573  174.172   3.9492  171.564   4.9952 2.608536 6.367736 
1 1 1    9    5   41 o  114.801   2.4699  2012.16   86.545  2189.53  124.863  1848.15  120.064  119.731   3.4167  109.997   3.5761 9.733406 4.945986 
1 1 1    9    5   42 o  295.232   3.8524 13315.78  347.148 13808.71  457.552 12647.14  532.899  300.540   4.9879  287.501   6.0728 13.03943 7.858652 
1 1 1    9    5   43 o  367.848   7.0694 20724.40  793.721 21866.98  1074.23 19350.67  1177.90  377.351   9.3269  354.577   10.884 22.77374 14.33343 
1 1 1    9    5   44 o   95.157   3.3430  1383.03   97.095  1482.73  150.019  1311.16  127.370   98.349   5.0142   92.620   4.5055 5.728668 6.741074 
1 1 1    9    5   45 o   40.449   3.8945  252.290   47.487  171.003  101.518  275.059   53.727   33.013   9.5387   42.214   4.2266 -9.201740 10.43317 
1 1 1    9    5   46 o  121.800   2.7029  2265.40  100.484  2557.11  150.890  2032.94  134.697  129.366   3.8214  115.348   3.8259 14.01869 5.407446 
1 1 1    9    5   47 o  174.183   3.4345  4634.96  182.593  4715.67  232.108  4503.91  295.758  175.640   4.3296  171.553   5.6484 4.087326 7.116847 
1 1 1    9    5   48 o   23.400   9.7856   14.977  116.979 -20.3507  136.384  113.308  227.536   23.580   10.229   35.764   14.119 -12.18394 17.43510 
1 1 1    9    5   49 o  152.925   2.9066  3572.02  135.667  3653.15  201.686  3504.98  183.348  154.575   4.2748  151.427   3.9669 3.147766 5.831870 
1 1 1    9    5   50 o  183.977   4.9919  5179.72  280.314  5671.21  538.306  4996.86  328.345  191.882   9.1913  180.596   5.9567 11.28561 10.95275 
1 1 1    9    5   51 o  102.695   4.0630  1612.71  127.356  1447.95  179.503  1779.70  180.720   96.999   6.0940  107.651   5.5187 -10.65215 8.221433 
1 1 1    9    5   52 o   42.966   6.4569  289.516   82.059  295.497  118.524  284.009  113.724   42.943   9.3109   42.111   9.1125 0.8323364 13.02807 
1 1 1    9    5   53 o  130.821   2.7185  2614.72  108.548  2679.84  155.697  2553.13  151.413  132.366   3.8538  129.200   3.8396 3.166031 5.440045 
1 1 1    9    5   54 o   35.356   5.0009  195.341   52.461  176.619  165.683  197.427   55.307   35.461   12.410   35.504   5.2630 -0.4307938E-01 13.48002 
1 1 1    9    5   55 o   15.834   6.5629   9.6958   51.952 -41.7889   86.144   39.126   65.130   17.303   7.7836   19.738   7.6223 -2.434704 10.89425 
1 1 1    9    5   56 o   78.394   4.0211  943.717   95.892  856.181  229.082  962.313  105.588   73.311   10.541   79.119   4.3896 -5.807816 11.41841 
1 1 1    9    5   57 o  168.948   3.3791  4368.46  174.250  4378.33  219.452  4351.61  286.648  168.998   4.2544  168.208   5.5832 0.7898407 7.019448 
1 1 1    9    5   58 o  249.817   4.8230  9585.73  367.751  9843.20  499.723  9281.56  543.142  252.497   6.4842  244.825   7.2684 7.671295 9.740376 
1 1 1    9    6    0 o  340.540   15.082 17829.02  1560.68 17829.02  1560.68 17829.02  1560.68  340.540   15.082  340.540   15.082 0.000000 0.000000 
1 1 1    9    6    1 o  1026.57   22.158 161854.20  6942.82 172182.91 13632.07 158236.70  8067.52  1049.93   42.539  1013.80   26.072 36.12939 49.89266 
1 1 1    9    6    2 o  775.299   17.784 92110.23  4208.44 90609.15  4561.68 100691.80 10907.02  768.648   19.444  800.736   44.807 -32.08777 48.84391 
1 1 1    9    6    3 o  161.739   3.5579  3992.88  175.639  3959.08  183.673  4354.03  600.395  161.051   3.7365  168.348   11.758 -7.297211 12.33778 
1 1 1    9    6    4 o  339.418   6.9927 17592.76  724.432 17711.06  1241.42 17531.67  892.074  340.348   11.950  338.771   8.6273 1.576538 14.73910 
1 1 1    9    6    5 o  169.563   5.0491  4389.32  261.313  4089.51  297.500  5401.68  546.685  163.659   5.9557  187.779   9.5701 -24.11940 11.27194 
1 1 1    9    6    6 o  639.807   15.263 62665.14  2980.58 60224.09  7121.94 63183.47  3281.81  621.269   37.737  642.247   16.741 -20.97784 41.28352 
1 1 1    9    6    7 o  786.385   30.931 95582.48  7424.05 87856.88 10493.26 103325.60 10505.12  746.819   46.262  812.033   42.533 -65.21411 62.84249 
1 1 1    9    6    8 o  595.826   10.141 54253.65  1844.22 55170.29  2608.19 53337.12  2608.05  600.436   14.232  590.348   14.474 10.08740 20.29874 
1 1 1    9    6    9 o  634.649   15.840 61679.13  3068.45 61366.11  3378.62 63152.94  7331.20  632.800   17.493  636.007   37.938 -3.206970 41.77685 
1 1 1    9    6   10 o  662.438   26.766 67631.68  5411.83 70531.16  7661.41 64744.16  7645.59  672.353   37.482  643.469   39.114 28.88336 54.17393 
1 1 1    9    6   11 o  177.628   5.2626  4817.02  285.318  4771.41  308.619  5085.33  748.500  176.779   5.7197  181.805   13.587 -5.026077 14.74171 
1 1 1    9    6   12 o  647.059   22.278 64345.47  4399.92 64042.38  5390.82 64950.27  7615.11  644.379   27.409  644.405   38.899 -0.2600098E-01 47.58585 
1 1 1    9    6   13 o  1128.87   26.088 196384.41  8989.00 194649.41  9744.32 206292.50 23285.75  1122.86   28.432  1124.02   68.196 -1.163696 73.88544 
1 1 1    9    6   14 o  867.178   13.344 115061.90  3532.00 116367.70  4326.08 112451.30  6116.80  871.536   16.263  854.973   23.440 16.56250 28.52896 
1 1 1    9    6   15 o  541.510   10.356 44822.28  1711.61 44822.28  1711.61   0.0000   0.0000  541.510   10.356  ?   ?  0.000000 10.35573 
1 1 1    9    6   16 o  536.328   10.245 43968.72  1677.18 43968.72  1677.18   0.0000   0.0000  536.328   10.245  ?   ?  0.000000 10.24547 
1 1 1    9    6   17 o  276.849   4.6272 11700.89  390.998 11895.06  638.195 11584.21  494.718  279.060   7.4927  275.436   5.8846 3.623688 9.527321 
1 1 1    9    6   18 o  536.187   8.3277 43925.33  1362.88 42880.60  2441.20 44398.40  1642.72  529.080   15.117  538.932   9.9865 -9.851685 18.11772 
1 1 1    9    6   19 o  392.411   6.6652 23518.22  798.310 24994.59  2760.46 23383.47  833.944  402.307   22.572  391.271   6.9830 11.03644 23.62720 
1 1 1    9    6   20 o  211.135   3.5819  6804.75  230.828  7819.33  932.290  6738.49  238.246  225.566   13.605  210.103   3.7152 15.46233 14.10314 
1 1 1    9    6   21 o  278.730   5.3835 11863.19  457.995 11475.57  675.000 12193.89  623.471  274.040   8.0700  282.523   7.2301 -8.482483 10.83508 
1 1 1    9    6   22 o  498.530   10.255 38015.20  1560.38 37313.82  1924.47 39361.15  2665.93  493.600   12.774  506.225   17.254 -12.62573 21.46778 
1 1 1    9    6   23 o  308.347   5.8477 14521.98  550.351 14243.16  776.131 14803.95  780.514  305.243   8.3305  311.201   8.2172 -5.958069 11.70127 
1 1 1    9    6   24 o  175.248   5.7051  4691.14  305.163  5196.34  587.448  4504.43  357.129  183.951   10.506  171.693   6.8149 12.25847 12.52306 
1 1 1    9    6   25 o  341.006   12.516 17831.63  1302.70 18322.30  2226.79 17576.31  1606.25  343.469   21.347  338.115   15.564 5.354340 26.41830 
1 1 1    9    6   26 o  144.005   4.3149  3166.81  189.656  2887.29  492.685  3215.44  205.492  136.700   11.928  145.100   4.6399 -8.399216 12.79838 
1 1 1    9    6   27 o  582.137   20.573 52556.88  3655.44   0.0000   0.0000 52556.88  3655.44  ?   ?   582.137   20.573 0.000000 20.57296 
1 1 1    9    6   28 o  191.317   4.2504  5590.16  248.199  5523.85  364.689  5647.37  338.756  190.093   6.2855  192.232   5.7736 -2.138626 8.534732 
1 1 1    9    6   29 o  329.291   5.5510 16571.19  557.919 16046.20  684.655 17608.89  962.569  323.907   6.9252  339.016   9.3024 -15.10956 11.59712 
1 1 1    9    6   30 o  205.686   4.1988  6461.94  263.600  6670.71  376.137  6260.45  369.524  208.896   5.8993  202.365   5.9826 6.530533 8.401967 
1 1 1    9    6   31 o  278.947   6.3412 11899.07  539.895 13327.39  1144.52 11490.28  612.300  294.308   12.741  274.021   7.3209 20.28754 14.69455 
1 1 1    9    6   32 o  113.158   2.7822  1954.94   96.093  2086.62  159.949  1880.56  120.204  116.868   4.4840  110.970   3.5489 5.898216 5.718516 
1 1 1    9    6   33 o   73.877   3.4652  833.479   78.137  802.264  113.586  861.519  107.656   72.265   5.1841   74.939   4.7310 -2.673828 7.018321 
1 1 1    9    6   34 o   82.024   2.4432  1027.12   61.167  1045.71   94.451  1013.69   80.274   82.744   3.7398   81.476   3.2280 1.267998 4.940279 
1 1 1    9    6   35 o  345.015   5.4214 18198.68  570.905 18723.48  886.973 17827.47  745.974  349.532   8.3139  341.250   7.1620 8.281250 10.97340 
1 1 1    9    6   36 o  206.371   3.4606  6504.51  217.980  6654.52  266.419  6200.71  379.127  208.701   4.1824  201.327   6.1697 7.373276 7.453713 
1 1 1    9    6   37 o  446.515   6.3689 30508.22  868.000 29990.19  1093.53 31390.48  1427.09  442.345   8.0994  451.941   10.346 -9.596375 13.13886 
1 1 1    9    6   38 o  180.256   4.4563  4965.34  245.180  5019.02  450.336  4942.73  292.299  180.943   8.1541  179.794   5.3264 1.149902 9.739623 
1 1 1    9    6   39 o  487.091   10.120 36463.48  1504.59 37411.48  3148.34 36182.89  1712.84  487.666   21.152  484.689   11.578 2.976379 24.11311 
1 1 1    9    6   40 o  259.202   4.8501 10270.13  383.710  9902.57  566.405 10581.90  521.650  254.258   7.2985  262.935   6.5000 -8.677231 9.773350 
1 1 1    9    6   41 o  258.463   4.1251 10207.10  325.426 10334.63  502.971 10115.28  426.798  259.861   6.3414  257.184   5.4370 2.676514 8.353112 
1 1 1    9    6   42 o  179.382   3.0279  4913.92  165.784  5133.79  247.233  4734.27  223.472  183.283   4.4194  176.021   4.1595 7.262115 6.068999 
1 1 1    9    6   43 o  327.053   6.3677 16372.45  635.647 17017.47  862.669 15606.26  940.210  333.049   8.4863  318.692   9.6658 14.35739 12.86253 
1 1 1    9    6   44 o  210.245   5.2341  6759.96  335.879  6972.29  391.978  6173.31  651.543  213.450   6.0166  199.972   10.714 13.47745 12.28746 
1 1 1    9    6   45 o  205.225   3.6764  6434.52  230.288  6582.08  296.865  6211.55  364.923  207.495   4.6874  201.463   5.9346 6.031570 7.562476 
1 1 1    9    6   46 o  191.928   3.3334  5626.92  195.273  5791.68  259.052  5410.12  297.171  194.652   4.3602  188.069   5.1769 6.583023 6.768467 
1 1 1    9    6   47 o  350.540   4.3773 18785.15  468.335 19824.72  606.451 17249.11  737.175  359.926   5.5203  335.409   7.2008 24.51678 9.073324 
1 1 1    9    6   48 o  172.054   2.3735  4520.17  124.645  4718.05  176.019  4321.13  176.530  175.736   3.2816  168.173   3.4391 7.563217 4.753553 
1 1 1    9    6   49 o   97.223   2.7175  1443.67   80.643  1596.63  118.898  1313.35  109.743  102.206   3.8114   92.694   3.8789 9.511780 5.438042 
1 1 1    9    6   50 o  192.105   3.7151  5640.98  217.838  5847.33  270.000  5256.19  368.708  195.513   4.5245  185.132   6.5250 10.38042 7.940231 
1 1 1    9    6   51 o  262.859   5.4027 10583.61  433.465 10901.51  613.088 10265.88  612.935  266.313   7.5425  258.375   7.7722 7.937592 10.83035 
1 1 1    9    6   52 o  209.459   3.0901  6704.56  197.554  7297.28  314.055  6316.44  254.132  218.328   4.7128  203.203   4.0974 15.12476 6.244959 
1 1 1    9    6   53 o   62.354   3.4319  596.260   65.064  660.766  115.493  566.269   78.750   65.366   5.8506   60.676   4.2797 4.690006 7.248799 
1 1 1    9    6   54 o  250.311   4.2064  9592.53  321.370  9954.86  552.689  9407.44  395.011  254.240   7.1223  247.670   5.2254 6.569641 8.833558 
1 1 1    9    6   55 o   36.685   4.0402  208.551   44.489  218.695  560.310  208.487   44.630   52.411   21.624   36.678   4.0544 15.73298 22.00046 
1 1 1    9    6   56 o   40.095   3.2188  247.504   39.059  289.348  106.205  240.959   42.003   42.463   8.4910   39.523   3.5187 2.940304 9.191220 
1 1 1    9    6   57 o   99.134   4.1988  1506.71  127.047  1735.80  267.655  1440.08  144.344  105.369   8.3919   96.715   4.9058 8.654129 9.720675 
1 1 1    9    6   58 o   75.678   8.7141  904.098  197.609  1177.57  565.958  866.130  210.881   80.777   22.247   73.795   9.5891 6.982048 24.22578 
1 1 1    9    7    0 o  134.532   8.1695  2793.80  332.622  2793.80  332.622  2793.80  332.622  134.532   8.1695  134.532   8.1695 0.000000 0.000000 
1 1 1    9    7    1 o  416.270   7.9417 26467.01  1009.03 27087.12  1363.47 25716.21  1500.28  420.978   10.611  410.101   11.986 10.87692 16.00805 
1 1 1    9    7    2 o  329.156   11.972 16566.40  1202.76 17261.98  1473.39 15177.02  2082.36  335.852   14.373  313.594   21.893 22.25815 26.18956 
1 1 1    9    7    3 o  620.726   20.987 59151.45  3976.22 59943.46  4870.17 57568.05  6886.10  623.973   25.572  607.407   37.324 16.56641 45.24354 
1 1 1    9    7    4 o   72.699   2.5995  806.648   57.682  833.646   74.894  767.282   90.436   73.903   3.3202   70.773   4.2055 3.130852 5.358152 
1 1 1    9    7    5 o  357.884   8.6689 19566.66  946.942 21329.85  2454.99 19258.48  1026.37  372.034   21.714  355.019   9.4718 17.01523 23.68994 
1 1 1    9    7    6 o  370.193   16.553 20993.10  1870.37 22503.54  2640.55 19472.20  2649.68  381.980   22.751  354.896   24.613 27.08359 33.51769 
1 1 1    9    7    7 o  312.725   8.8017 14940.93  840.124 16747.27  2008.79 14558.00  924.897  329.750   20.054  308.651   9.8177 21.09930 22.32815 
1 1 1    9    7    8 o  579.131   17.493 51403.75  3092.08 54035.83  4373.26 48772.63  4372.46  592.625   24.177  562.777   25.455 29.84814 35.10695 
1 1 1    9    7    9 o  794.310   25.840 97195.08  6264.81 100377.50  7678.00 90856.02 10836.27  805.478   31.230  758.499   47.039 46.97845 56.46213 
1 1 1    9    7   10 o  722.931   15.220 80023.13  3358.32 77859.19  3902.81 86196.17  6591.81  712.631   17.943  747.091   28.908 -34.45966 34.02364 
1 1 1    9    7   11 o  357.432   8.5653 19517.93  934.439 19890.72  1730.90 19364.60  1110.10  360.375   15.736  355.945   10.218 4.430420 18.76258 
1 1 1    9    7   12 o  286.156   7.0612 12505.73  616.732 12491.88  1154.11 12511.27  729.649  285.735   13.233  286.177   8.3534 -0.4422607 15.64920 
1 1 1    9    7   13 o  520.409   9.7395 41389.59  1547.04 40668.93  2091.75 42259.76  2298.52  515.545   13.293  525.419   14.333 -9.874207 19.54815 
1 1 1    9    7   14 o  890.357   22.172 121886.30  6025.35 121886.30  6025.35   0.0000   0.0000  890.357   22.172  ?   ?  0.000000 22.17183 
1 1 1    9    7   15 o  167.671   5.3912  4292.41  275.906  4292.41  275.906   0.0000   0.0000  167.671   5.3912  ?   ?  0.000000 5.391209 
1 1 1    9    7   16 o  1091.52   29.387 184366.00  9790.65 184366.00  9790.65   0.0000   0.0000  1091.52   29.387  ?   ?  0.000000 29.38749 
1 1 1    9    7   17 o  116.961   3.5136  2088.15  125.432  2252.99  182.536  1940.67  172.652  121.478   4.9230  112.743   5.0172 8.734497 7.029148 
1 1 1    9    7   18 o  406.496   7.4537 25242.25  924.795 24801.27  1440.22 25551.64  1206.35  402.638   11.719  408.843   9.6672 -6.204376 15.19191 
1 1 1    9    7   19 o  475.254   7.4604 34505.84  1082.19 36024.27  1941.56 33821.50  1303.43  485.068   13.114  470.399   9.0783 14.66913 15.94959 
1 1 1    9    7   20 o  544.347   8.1240 45281.18  1349.78 46265.76  2421.27 44837.23  1625.85  549.443   14.438  541.503   9.8370 7.939453 17.47049 
1 1 1    9    7   21 o   38.655   4.0528  230.626   47.105  340.574   72.084  148.680   62.231   46.949   5.1129   30.595   6.8362 16.35385 8.536724 
1 1 1    9    7   22 o  159.513   4.0083  3884.66  195.153  3566.29  293.759  4136.16  261.096  152.793   6.2990  164.574   5.1978 -11.78104 8.166682 
1 1 1    9    7   23 o  602.786   9.7208 55595.70  1788.47 54935.92  2638.52 56156.49  2432.56  598.260   14.450  605.162   13.170 -6.902466 19.55069 
1 1 1    9    7   24 o  381.840   6.0444 22276.16  704.454 21287.64  1260.40 22725.25  849.532  372.776   11.078  385.577   7.2186 -12.80087 13.22191 
1 1 1    9    7   25 o  284.694   4.4959 12377.88  390.669 12536.08  697.301 12305.50  471.642  286.293   7.9798  283.814   5.4445 2.478821 9.660247 
1 1 1    9    7   26 o  437.993   10.575 29401.99  1413.74 28554.13  1682.72 31436.64  2606.73  431.207   12.785  450.776   18.946 -19.56833 22.85638 
1 1 1    9    7   27 o   57.683   4.8085  511.805   83.888  571.574  123.371  460.406  114.407   60.766   6.7666   54.417   7.0541 6.349396 9.774802 
1 1 1    9    7   28 o  293.327   7.6586 13165.66  685.675 13263.72  755.789 12709.48  1630.10  294.337   8.4128  285.718   18.797 8.618805 20.59382 
1 1 1    9    7   29 o  563.174   19.446 49281.31  3342.67 49380.55  5813.85 49232.31  4085.45  552.228   34.669  560.359   23.887 -8.130676 42.10099 
1 1 1    9    7   30 o  241.539   4.3880  8912.13  323.495  9010.28  460.205  8816.27  454.823  242.747   6.2113  240.120   6.2058 2.627350 8.780200 
1 1 1    9    7   31 o   79.822   2.4375  972.681   59.386  778.714  120.069  1035.50   68.328   71.157   5.5729   82.356   2.7182 -11.19928 6.200498 
1 1 1    9    7   32 o  154.655   3.6199  3652.83  170.875  3427.03  251.355  3846.85  232.997  149.728   5.5001  158.665   4.8112 -8.937149 7.307409 
1 1 1    9    7   33 o  277.806   4.0651 11789.23  344.693 11714.63  474.914 11872.29  501.075  276.805   5.6211  278.636   5.8918 -1.831299 8.143135 
1 1 1    9    7   34 o   82.477   3.4041  1038.86   85.694  1000.72  213.828  1046.17   93.533   80.304   8.8721   82.761   3.7027 -2.457542 9.613788 
1 1 1    9    7   35 o  383.987   5.7045 22548.21  668.572 22659.22  842.200 22359.05  1099.40  384.703   7.1725  381.695   9.4367 3.007813 11.85315 
1 1 1    9    7   36 o  223.155   3.6418  7606.38  248.051  7691.01  310.883  7458.11  411.498  224.339   4.5402  220.796   6.1060 3.543106 7.609006 
1 1 1    9    7   37 o  118.560   3.4008  2146.83  123.065  2141.48  134.883  2173.43  300.642  118.402   3.7323  118.771   8.3462 -0.3690338 9.142715 
1 1 1    9    7   38 o   96.942   3.7321  1435.58  110.429  1502.81  225.726  1414.43  126.616   98.755   7.5458   96.210   4.3117 2.545227 8.690793 
1 1 1    9    7   39 o  148.195   3.0369  3353.78  137.366  3483.23  431.212  3339.16  144.916  150.318   9.4466  147.866   3.2109 2.451630 9.977422 
1 1 1    9    7   40 o  204.388   3.7667  6381.60  234.981  6357.67  300.028  6419.58  377.922  203.939   4.8200  204.834   6.0448 -0.8947296 7.731220 
1 1 1    9    7   41 o   82.687   3.2828  1044.22   82.850  1001.98  127.160  1075.39  109.212   80.785   5.1844   83.780   4.2852 -2.994331 6.726148 
1 1 1    9    7   42 o  267.124   4.3633 10904.70  355.750 11802.97  575.802 10350.12  452.429  277.635   6.7949  260.116   5.6986 17.51907 8.868161 
1 1 1    9    7   43 o  171.108   3.9795  4473.48  207.835  4515.50  307.771  4438.26  281.791  171.789   5.8697  170.346   5.4197 1.443008 7.989143 
1 1 1    9    7   44 o  359.306   6.4380 19766.47  706.050 20202.24  1040.93 19395.16  960.879  362.577   9.4060  355.400   8.8580 7.177338 12.92038 
1 1 1    9    7   45 o   90.012   3.2549  1237.56   89.424  1261.20  122.757  1210.84  130.529   90.833   4.4278   88.857   4.8310 1.976402 6.553106 
1 1 1    9    7   46 o  304.303   4.1439 14153.22  384.885 14454.01  462.108 13471.97  695.440  307.424   4.9248  296.343   7.6886 11.08090 9.130641 
1 1 1    9    7   47 o  162.845   2.8283  4050.09  140.579  4396.48  255.572  3899.82  168.333  169.535   4.9390  159.766   3.4520 9.768982 6.025739 
1 1 1    9    7   48 o  148.967   3.1396  3390.02  142.753  3654.79  221.743  3202.61  186.552  154.579   4.6998  144.732   4.2230 9.846695 6.318378 
1 1 1    9    7   49 o  118.066   4.0124  2131.11  144.593  2254.37  182.696  1924.48  236.554  121.377   4.9315  111.783   6.9680 9.594269 8.536492 
1 1 1    9    7   50 o  236.878   3.5972  8576.60  260.082  8932.75  466.618  8416.09  313.254  241.350   6.3343  234.563   4.3754 6.786972 7.698545 
1 1 1    9    7   51 o  148.961   2.5067  3389.19  113.972  3388.93  238.072  3389.27  129.814  148.744   5.2439  148.944   2.8555 -0.1997681 5.970921 
1 1 1    9    7   52 f  121.772   2.9688  2265.96  110.343  2478.41  198.153  2170.48  132.846  127.188   5.1043  119.138   3.6533 8.050415 6.276951 
1 1 1    9    7   53 o  133.312   3.2588  2717.11  132.599  2842.05  206.656  2629.68  172.878  136.181   4.9718  131.061   4.3217 5.120056 6.587539 
1 1 1    9    7   54 o  115.076   3.9647  2027.10  139.257  2176.47  170.003  1722.45  242.782  119.171   4.6738  105.388   7.5986 13.78291 8.920931 
1 1 1    9    7   55 o   51.695   4.0414  411.764   63.259  448.301   87.330  371.427   91.759   53.763   5.3946   48.724   6.3188 5.038654 8.308371 
1 1 1    9    7   56 o   30.261   6.7633  146.819   60.898   69.572   97.127  196.857   78.172   24.740   9.3683   35.017   7.5371 -10.27678 12.02390 
1 1 1    9    7   57 o  128.317   2.9766  2518.92  116.579  2700.79  223.443  2450.89  136.653  132.476   5.5260  126.509   3.5390 5.967026 6.562103 
1 1 1    9    8    0 o  706.820   13.282 76422.30  2863.21 76422.30  2863.21 76422.30  2863.21  706.820   13.282  706.820   13.282 0.000000 0.000000 
1 1 1    9    8    1 o  1234.86   22.257 234330.09  8388.90 232156.00  8822.97 254808.80 27078.63  1228.62   23.528  1246.68   71.461 -18.06104 75.23450 
1 1 1    9    8    2 o  331.124   8.1622 16748.39  824.927 16703.44  893.664 17007.38  2144.91  330.651   8.8550  332.108   21.272 -1.456909 23.04113 
1 1 1    9    8    3 o  282.811   6.9434 12214.44  599.357 12422.73  1555.94 12178.15  649.477  284.093   18.037  282.373   7.5357 1.720123 19.54816 
1 1 1    9    8    4 o  228.743   4.7780  7987.71  333.585  8276.05  472.501  7701.16  471.023  232.800   6.6497  224.564   6.8720 8.235870 9.562619 
1 1 1    9    8    5 o  957.928   21.507 140961.41  6288.23 139896.00 16285.99 141148.00  6816.87  934.288   57.388  958.014   23.313 -23.72595 61.94276 
1 1 1    9    8    6 o  331.830   6.3474 16813.89  642.880 17006.68  2079.71 16793.52  675.988  332.186   20.614  331.618   6.6786 0.5675354 21.66850 
1 1 1    9    8    7 o  1071.15   16.419 175781.30  5368.12 174226.30  6468.84 179220.59  9620.32  1065.44   19.892  1077.05   29.264 -11.60999 35.38499 
1 1 1    9    8    8 o  501.678   17.731 38585.05  2714.99 37487.04  3329.34 40764.64  4690.76  493.868   22.087  512.609   30.113 -18.74069 37.34440 
1 1 1    9    8    9 o  1224.06   20.493 230073.00  7656.48 236287.50 10829.78 223862.80 10826.01  1236.85   28.687  1203.49   29.472 33.35669 41.12843 
1 1 1    9    8   10 o  403.080   8.8259 24824.00  1085.84 25254.69  2154.84 24677.42  1257.11  405.884   17.394  401.807   10.250 4.077515 20.18952 
1 1 1    9    8   11 o  887.889   13.219 120628.20  3582.31 119613.30  4540.81 122301.00  5829.64  883.422   16.840  892.120   21.409 -8.697998 27.23873 
1 1 1    9    8   12 o  721.391   10.645 79558.36  2343.88 79160.25  2971.30 80214.21  3813.68  719.198   13.536  723.330   17.274 -4.132690 21.94548 
1 1 1    9    8   13 o  427.449   7.8677 27911.33  1026.48 28252.20  1389.35 27501.64  1523.17  429.882   10.589  424.045   11.768 5.836700 15.83098 
1 1 1    9    8   14 o  1168.69   22.079 210090.80  7875.71 210090.80  7875.71   0.0000   0.0000  1168.69   22.079  ?   ?  0.000000 22.07878 
1 1 1    9    8   15 o  636.358   38.506 63553.98  7443.87 63553.98  7443.87   0.0000   0.0000  636.358   38.506  ?   ?  0.000000 38.50613 
1 1 1    9    8   16 o  473.077   8.7015 34200.12  1256.44 33762.00  1699.49 34728.23  1865.89  469.770   11.853  476.343   12.834 -6.573608 17.46962 
1 1 1    9    8   17 o  225.089   4.7377  7735.25  325.493  7534.65  444.680  7966.76  477.728  222.109   6.5594  228.380   6.8534 -6.271851 9.486559 
1 1 1    9    8   18 o  887.369   37.253 123451.50 10089.77 124141.30 14277.25 122763.30 14260.94  876.073   53.652  870.945   53.911 5.127991 76.05896 
1 1 1    9    8   19 o  389.578   9.8895 23210.07  1175.94 22659.29  3093.70 23303.08  1271.36  381.552   26.734  390.291   10.672 -8.739624 28.78531 
1 1 1    9    8   20 o  485.347   7.1759 35992.34  1063.02 34922.10  1390.49 37497.57  1649.04  477.858   9.5335  495.004   10.915 -17.14557 14.49190 
1 1 1    9    8   21 o  310.311   5.2762 14705.91  499.730 13889.86  842.874 15148.25  620.563  301.361   9.1634  314.887   6.4567 -13.52618 11.20973 
1 1 1    9    8   22 o  509.504   7.8847 39687.49  1226.16 40503.13  2196.90 39318.45  1477.74  513.730   14.011  506.919   9.5509 6.810913 16.95633 
1 1 1    9    8   23 o  126.437   2.8426  2440.31  109.699  2776.81  191.610  2276.23  133.797  134.843   4.6556  122.103   3.5901 12.74063 5.879023 
1 1 1    9    8   24 o  243.809   4.5082  9078.22  335.484  9874.48  519.179  8507.39  439.585  254.167   6.6924  235.949   6.1039 18.21809 9.057899 
1 1 1    9    8   25 o  627.714   9.3296 60337.09  1787.48 59838.64  3006.26 60609.67  2223.15  623.145   15.806  628.553   11.588 -5.407776 19.59871 
1 1 1    9    8   26 o  291.267   4.8001 12959.70  426.734 12916.50  698.678 12985.40  538.939  290.540   7.8787  291.471   6.0580 -0.9310303 9.938453 
1 1 1    9    8   27 o  336.718   14.601 17471.45  1500.58 18487.93  2160.04 16523.30  2086.18  344.135   20.660  325.098   21.139 19.03748 29.55837 
1 1 1    9    8   28 o  430.346   18.444 28727.56  2422.68 29182.88  3456.70 28287.97  3396.46  429.331   26.508  422.703   26.459 6.627686 37.45330 
1 1 1    9    8   29 o  334.986   14.812 17315.69  1514.43 17641.46  2181.08 17012.42  2104.42  335.489   21.412  329.584   21.029 5.904724 30.01127 
1 1 1    9    8   30 o  368.879   6.8528 20817.84  771.563 22045.09  1147.12 19803.94  1042.66  379.082   9.9142  359.372   9.5056 19.71024 13.73493 
1 1 1    9    8   31 o   77.104   4.5935  911.569  107.613  1003.87  141.540  785.114  165.667   80.825   5.7755   71.190   7.7495 9.634857 9.664944 
1 1 1    9    8   32 o  186.484   2.9766  5310.02  169.425  5234.54  244.509  5379.73  234.980  185.101   4.3278  187.661   4.1024 -2.559799 5.963199 
1 1 1    9    8   33 o   80.424   2.9826  987.633   73.214  1070.47   95.345  868.609  114.291   83.716   3.7314   75.220   5.0067 8.496346 6.244207 
1 1 1    9    8   34 o  221.343   5.1725  7489.44  349.451  7801.91  650.116  7362.48  414.410  225.470   9.4468  219.379   6.1890 6.091049 11.29361 
1 1 1    9    8   35 o   91.900   2.3110  1289.33   64.823  1240.14   96.213  1330.23   87.722   90.109   3.4982   93.333   3.0793 -3.224213 4.660462 
1 1 1    9    8   36 o  175.294   2.8894  4692.09  154.594  4656.08  212.667  4732.44  225.121  174.576   3.9912  175.992   4.1909 -1.416138 5.787315 
1 1 1    9    8   37 o  237.359   3.9552  8607.31  286.548  8590.85  479.834  8616.44  357.244  236.901   6.6360  237.415   4.9299 -0.5133972 8.266843 
1 1 1    9    8   38 o  209.510   7.8722  6727.82  503.409  6719.01  701.780  6737.16  722.528  208.650   11.059  208.864   11.377 -0.2140503 15.86603 
1 1 1    9    8   39 o  315.590   4.3398 15219.88  418.031 15432.09  578.839 14988.54  604.357  317.594   5.9713  312.948   6.3271 4.645691 8.699906 
1 1 1    9    8   40 o  114.526   3.4583  2003.38  120.887  1434.24  422.091  2054.23  126.173   95.073   15.047  115.967   3.5646 -20.89450 15.46304 
1 1 1    9    8   41 o  253.491   4.4411  9820.49  343.616  9251.38  619.981 10072.81  412.822  245.603   8.2704  256.652   5.2699 -11.04884 9.806717 
1 1 1    9    8   42 o  190.380   3.9760  5537.91  231.042  6601.96  670.627  5394.60  246.108  206.845   10.659  187.883   4.2916 18.96184 11.49012 
1 1 1    9    8   43 o   83.507   4.5539  1069.09  115.633  1508.66  461.238  1039.61  119.447   97.238   16.104   82.325   4.7742 14.91252 16.79721 
1 1 1    9    8   44 o  321.686   6.2250 15842.57  611.206 15519.02  869.244 16158.97  859.589  317.847   8.9600  324.399   8.6815 -6.552032 12.47595 
1 1 1    9    8   45 o  340.607   6.1553 17763.01  639.909 18387.54  876.653 17050.73  936.215  346.081   8.2991  333.034   9.2102 13.04623 12.39774 
1 1 1    9    8   46 o  347.476   5.9998 18487.46  636.323 19299.45  903.177 17687.15  896.651  354.475   8.3478  339.263   8.6590 15.21185 12.02763 
1 1 1    9    8   47 o  132.256   2.8152  2671.52  113.644  2868.87  160.988  2475.49  160.447  137.007   3.8498  127.254   4.1309 9.753403 5.646691 
1 1 1    9    8   48 o  239.688   3.5303  8779.31  258.273  9347.61  350.198  8101.59  382.433  247.204   4.6413  230.039   5.4467 17.16496 7.156036 
1 1 1    9    8   49 o  142.870   3.4045  3119.32  148.460  3436.31  235.228  2909.46  191.395  149.824   5.1439  137.907   4.5470 11.91656 6.865471 
1 1 1    9    8   50 o  138.821   3.5578  2945.82  150.749  3047.60  356.903  2923.72  166.312  140.441   8.3640  138.274   3.9406 2.166458 9.245785 
1 1 1    9    8   51 o  143.208   2.6504  3132.96  115.849  3504.18  171.590  2822.02  157.045  151.381   3.7137  135.844   3.7876 15.53687 5.304473 
1 1 1    9    8   52 o   99.906   2.8044  1525.18   85.518  1339.21  166.846  1591.44   99.595   93.233   5.8934  102.034   3.1980 -8.800400 6.705198 
1 1 1    9    8   53 o  136.098   3.0088  2831.46  124.986  3080.06  225.611  2721.38  150.129  141.713   5.2159  133.371   3.6880 8.341751 6.388050 
1 1 1    9    8   54 o  150.323   2.7043  3453.81  124.081  3622.88  182.292  3307.86  169.373  153.834   3.8824  147.007   3.7748 6.827652 5.414949 
1 1 1    9    8   55 o   54.454   9.8561  476.186  157.784  469.715  361.227  477.712  175.402   54.411   18.348   54.274   10.966 0.1370125 21.37551 
1 1 1    9    8   56 o   84.156   3.7565  1084.85   96.492  1113.89  157.563  1067.42  122.058   84.801   6.1287   83.241   4.8248 1.560478 7.799980 
1 1 1    9    8   57 o  169.304   4.9831  4405.92  257.503  4967.25  538.747  4239.72  293.157  177.608   9.9786  165.872   5.7904 11.73619 11.53692 
1 1 1    9    9    0 o  1349.78   83.123 295474.81 33947.74 295474.81 33947.74 295474.81 33947.74  1349.78   83.123  1349.78   83.123 0.000000 0.000000 
1 1 1    9    9    1 o  506.765   12.441 39281.18  1924.29 44035.12  3528.80 37269.27  2295.64  535.335   21.597  493.336   15.246 41.99890 26.43556 
1 1 1    9    9    2 o  1373.54   24.049 290364.00 10082.07 300559.41 14258.36 280169.09 14258.03  1391.90   33.562  1343.04   34.782 48.85193 48.33397 
1 1 1    9    9    3 o  338.201   8.0581 17472.40  831.811 17628.84  965.907 17023.39  1636.41  339.657   9.3170  333.352   16.083 6.304993 18.58698 
1 1 1    9    9    4 o  730.270   16.246 81704.72  3621.07 78057.55  9380.80 82343.30  3925.29  703.971   43.877  732.881   17.548 -28.90979 47.25556 
1 1 1    9    9    5 o  181.099   4.9788  5007.04  275.204  6692.45  725.622  4723.87  297.425  208.898   11.424  175.896   5.5399 33.00143 12.69618 
1 1 1    9    9    6 o  351.060   5.4252 18816.56  581.320 20509.19  948.026 17796.64  735.909  366.393   8.4773  341.360   7.0631 25.03244 11.03409 
1 1 1    9    9    7 o  944.126   14.068 136441.00  4053.81 140176.59  5044.25 129628.50  6811.96  956.236   17.283  917.533   24.324 38.70331 29.83870 
1 1 1    9    9    8 o  121.299   4.4225  2246.10  163.734  2212.33  385.303  2253.54  180.878  119.827   10.646  121.495   4.8776 -1.668587 11.71001 
1 1 1    9    9    9 o  188.542   5.6393  5427.75  324.526  5377.61  352.284  5708.79  834.093  187.661   6.1504  192.579   14.292 -4.918243 15.55932 
1 1 1    9    9   10 o  447.866   8.6780 30647.89  1186.27 30284.81  1247.42 34081.16  3835.86  445.174   9.1805  469.145   26.900 -23.97107 28.42365 
1 1 1    9    9   11 o  164.246   3.8741  4117.96  194.217  4317.28  270.074  3904.48  279.496  168.157   5.2620  159.909   5.7264 8.247772 7.776954 
1 1 1    9    9   12 o  289.241   7.4600 12779.31  658.590 12718.78  714.310 13122.53  1700.90  288.531   8.1111  291.720   19.210 -3.189789 20.85232 
1 1 1    9    9   13 o  732.898   13.060 82213.43  2921.46 82369.89  3072.94 80742.77  9421.29  733.484   13.726  714.742   43.391 18.74213 45.51071 
1 1 1    9    9   14 o  369.206   8.0380 20826.87  905.804 21183.07  983.203 18827.96  2329.12  372.316   8.6520  349.071   21.973 23.24481 23.61470 
1 1 1    9    9   15 o  203.387   3.8354  6314.73  238.099  6208.56  293.742  6518.10  406.561  201.655   4.7724  206.585   6.4478 -4.929428 8.021838 
1 1 1    9    9   16 o  304.783   7.7548 14193.25  721.403 13891.03  781.808 15925.41  1871.68  301.484   8.4961  321.314   19.172 -19.82962 20.97019 
1 1 1    9    9   17 o   94.376   5.0521  1363.91  145.001  1238.18  172.504  1666.66  267.677   89.813   6.3333  104.079   8.5004 -14.26569 10.60038 
1 1 1    9    9   18 o  315.696   5.7134 15221.12  550.528 14577.18  821.798 15745.37  741.506  308.794   8.7193  320.997   7.5683 -12.20288 11.54575 
1 1 1    9    9   19 o  590.367   10.035 53324.08  1808.24 53360.39  2559.07 53287.87  2555.40  589.824   14.215  589.425   14.204 0.3986816 20.09522 
1 1 1    9    9   20 o  443.430   13.552 30159.62  1834.15 29500.83  2602.70 30809.55  2585.15  437.385   19.496  447.111   18.943 -9.725769 27.18333 
1 1 1    9    9   21 o  528.240   9.9270 42711.92  1600.54 43218.93  2381.26 42294.12  2161.65  530.419   14.709  524.986   13.490 5.433167 19.95815 
1 1 1    9    9   22 o  743.625   13.201 84885.36  2996.14 82840.81  4666.35 86319.46  3908.12  731.409   20.903  748.399   17.109 -16.98975 27.01159 
1 1 1    9    9   23 o  539.223   9.2393 44513.71  1520.64 42646.31  5155.20 44691.68  1591.45  517.506   32.807  540.223   9.6517 -22.71637 34.19720 
1 1 1    9    9   24 o  382.603   6.0462 22373.18  706.069 22222.01  1151.50 22464.27  893.815  380.835   9.9063  383.212   7.6417 -2.377686 12.51122 
1 1 1    9    9   25 o  290.843   7.3487 12939.82  652.354 12820.58  702.083 13693.23  1764.76  289.442   7.9471  296.442   19.615 -7.000427 21.16381 
1 1 1    9    9   26 o  162.797   5.4652  4050.29  271.561  4050.29  271.561   0.0000   0.0000  162.797   5.4652  ?   ?  0.000000 5.465162 
1 1 1    9    9   27 o  389.299   14.150 23356.00  1681.30 23032.42  2072.56 23978.76  2875.28  385.565   17.611  390.105   24.268 -4.539276 29.98516 
1 1 1    9    9   28 o  250.835   6.2714  9621.39  480.141  9495.20  559.275  9975.08  936.310  249.090   7.3562  254.715   12.043 -5.624908 14.11227 
1 1 1    9    9   29 o  142.935   3.6467  3120.13  159.094  2909.10  233.276  3303.63  217.533  137.952   5.5402  147.038   4.8471 -9.085587 7.361249 
1 1 1    9    9   30 o  259.044   4.5614 10252.75  360.651 10024.87  650.283 10353.98  433.417  255.801   8.3288  260.254   5.4562 -4.452866 9.956851 
1 1 1    9    9   31 o  194.133   4.3528  5757.91  257.922  5485.06  400.624  5951.06  337.067  189.316   6.9332  197.290   5.5975 -7.974503 8.910721 
1 1 1    9    9   32 o  487.884   7.8248 36461.70  1165.21 37432.35  2090.46 36024.21  1403.45  492.362   13.910  484.524   9.4900 7.838043 16.83922 
1 1 1    9    9   33 o   71.212   3.4419  774.492   74.812  1001.04  144.554  691.616   87.431   80.686   5.9109   67.144   4.2886 13.54190 7.302767 
1 1 1    9    9   34 o  256.418   4.6737 10048.60  365.787 10884.68  989.271  9916.19  393.688  265.768   12.195  254.691   5.0643 11.07748 13.20510 
1 1 1    9    9   35 o  275.539   4.4449 11602.07  373.821 11553.73  628.974 11628.46  464.825  274.626   7.5037  275.753   5.5227 -1.126862 9.316959 
1 1 1    9    9   36 f  338.390   5.6369 17513.54  582.199 17635.86  821.740 17390.25  824.976  339.204   7.9370  336.818   8.0247 2.386597 11.28680 
1 1 1    9    9   37 o  114.213   3.0660  1992.07  106.882  1930.59  173.174  2029.90  135.842  112.373   5.0490  115.270   3.8610 -2.896736 6.356074 
1 1 1    9    9   38 o  128.191   3.5846  2510.14  140.253  2710.48  394.603  2481.17  150.051  132.458   9.8305  127.440   3.8576 5.018135 10.56024 
1 1 1    9    9   39 o  329.660   6.4149 16634.05  645.464 16934.69  812.689 16120.38  1062.29  332.352   8.0114  323.670   10.753 8.682251 13.40922 
1 1 1    9    9   40 o  129.115   7.1310  2561.25  279.932   0.0000   0.0000  2561.25  279.932  ?   ?   129.115   7.1310 0.000000 7.130956 
1 1 1    9    9   41 o  115.156   2.8927  2025.03  101.675  2083.86  220.156  2009.08  114.632  116.521   6.2127  114.691   3.2746 1.829239 7.022861 
1 1 1    9    9   42 o  132.591   3.4302  2685.42  138.820  3024.04  214.637  2441.91  182.014  140.630   5.0004  126.385   4.7184 14.24527 6.875113 
1 1 1    9    9   43 o  337.540   6.1280 17440.53  631.339 17576.70  862.336 17283.22  926.847  338.415   8.3485  335.411   9.0534 3.003326 12.31514 
1 1 1    9    9   44 o  242.752   4.8729  9011.47  361.047  9011.47  361.047   0.0000   0.0000  242.752   4.8729  ?   ?  0.000000 4.872870 
1 1 1    9    9   45 o  115.559   2.7512  2039.37   97.039  2511.24  202.902  1899.44  110.495  128.120   5.1886  111.509   3.2465 16.61105 6.120594 
1 1 1    9    9   46 o  155.924   3.7408  3715.43  178.033  3525.03  258.911  3886.19  245.201  151.749   5.5899  159.379   5.0405 -7.629608 7.526894 
1 1 1    9    9   47 o  136.743   2.9768  2856.28  124.244  2823.58  174.024  2890.29  177.441  135.895   4.1955  137.489   4.2283 -1.593948 5.956608 
1 1 1    9    9   48 o  153.026   3.2797  3578.09  153.184  3693.19  178.204  3252.37  299.785  155.438   3.7562  145.606   6.7455 9.832138 7.720794 
1 1 1    9    9   49 o  119.479   3.4556  2181.81  126.017  2363.67  201.220  2064.46  161.641  124.232   5.3066  116.157   4.5592 8.075653 6.996204 
1 1 1    9    9   50 o   92.505   3.0898  1307.64   87.238  1448.14  150.112  1235.98  107.199   97.107   5.0823   89.899   3.9068 7.207733 6.410386 
1 1 1    9    9   51 o  166.169   3.4414  4221.68  174.541  4370.21  254.744  4090.25  239.625  168.903   4.9414  163.420   4.8041 5.482666 6.891770 
1 1 1    9    9   52 o  223.382   4.0541  7637.12  276.416  7977.81  493.072  7480.98  333.801  227.637   7.0966  220.931   4.9501 6.705963 8.652477 
1 1 1    9    9   53 o   98.807   3.7263  1494.05  112.378  1659.68  192.182  1407.99  138.531  103.725   6.0972   95.838   4.7358 7.886826 7.720298 
1 1 1    9    9   54 o  271.435   5.2164 11313.08  432.168 13299.54  1145.10 10983.15  466.680  289.772   12.947  267.283   5.7205 22.48901 14.15444 
1 1 1    9    9   55 o   64.534   4.2486  641.197   83.216  1034.33  518.898  630.819   84.308   76.676   21.372   63.994   4.3420 12.68129 21.80869 
1 1 1    9    9   56 o   78.397   3.8287  941.821   91.614  915.727  239.671  946.286   99.144   75.589   10.686   78.446   4.1556 -2.856590 11.46561 
1 1 1    9   10    0 o  706.092   19.062 76472.53  4101.29 76472.53  4101.29 76472.53  4101.29  706.092   19.062  706.092   19.062 0.000000 0.000000 
1 1 1    9   10    1 o  642.106   21.921 63391.85  4296.27 63962.86  7443.60 63106.60  5261.06  639.065   38.338  639.447   26.956 -0.3812256 46.86612 
1 1 1    9   10    2 o  314.782   5.1689 15128.18  496.620 15977.55  861.034 14704.77  607.928  323.373   8.7237  310.310   6.4186 13.06296 10.83054 
1 1 1    9   10    3 o  639.503   21.752 62875.12  4245.77 64482.37  7353.02 62071.21  5200.29  641.881   37.697  634.177   26.866 7.704468 46.29061 
1 1 1    9   10    4 o  391.029   7.4694 23355.32  891.479 25496.59  2884.89 23129.26  937.356  406.341   23.359  389.112   7.8925 17.22943 24.65623 
1 1 1    9   10    5 o  636.859   17.996 62216.43  3498.12 61919.29  4947.62 62513.45  4946.56  633.682   25.580  636.748   25.452 -3.065918 36.08533 
1 1 1    9   10    6 o  133.127   4.1304  2705.45  167.831  2862.00  194.249  2244.49  333.333  136.920   4.6481  120.851   9.1036 16.06842 10.22154 
1 1 1    9   10    7 o  662.164   15.222 67167.36  3076.41 65922.25  3671.40 70102.46  5636.88  655.438   18.352  673.635   27.416 -18.19666 32.99104 
1 1 1    9   10    8 o  591.556   12.305 53538.83  2221.76 55740.61  2651.59 48350.18  4070.48  603.318   14.399  560.239   23.804 43.07953 27.82060 
1 1 1    9   10    9 o   87.512   3.4928  1169.00   93.296  1171.23  105.040  1160.66  203.052   87.593   3.9289   86.820   7.7438 0.7730942 8.683438 
1 1 1    9   10   10 o  632.128   11.935 61132.25  2302.83 61086.30  3113.07 61187.78  3422.22  631.241   16.158  631.469   17.756 -0.2280884 24.00695 
1 1 1    9   10   11 o  228.035   4.6040  7938.77  320.444  8734.75  438.696  7028.27  469.193  239.161   6.0097  214.502   7.1664 24.65964 9.352786 
1 1 1    9   10   12 o   87.628   3.9460  1172.19  105.540  1172.19  105.540   0.0000   0.0000   87.628   3.9460  ?   ?  0.000000 3.946014 
1 1 1    9   10   13 o  387.409   9.2085 22942.33  1088.87 22914.09  1181.62 23101.34  2803.72  387.113   10.001  386.222   23.901 0.8907166 25.90906 
1 1 1    9   10   14 o  299.596   5.6097 13706.83  512.973 13357.07  730.076 14047.86  720.916  295.647   8.0905  303.210   7.7898 -7.563232 11.23108 
1 1 1    9   10   15 o  528.146   11.441 42689.73  1844.26 42140.99  2143.64 44253.11  3618.24  524.467   13.391  535.660   22.130 -11.19342 25.86656 
1 1 1    9   10   16 o  320.757   6.1195 15715.03  599.115 15514.25  896.010 15877.38  805.719  318.526   9.2162  322.298   8.1905 -3.772827 12.32971 
1 1 1    9   10   17 o  269.666   5.2017 11105.43  428.141 10904.33  671.756 11243.00  555.610  267.075   8.2406  271.269   6.7105 -4.193970 10.62725 
1 1 1    9   10   18 o  617.649   11.006 58413.89  2074.92 57917.83  2284.35 60753.16  4960.61  614.793   12.174  625.157   25.997 -10.36414 28.70640 
1 1 1    9   10   19 o  320.565   6.4732 15702.48  633.358 16080.97  897.045 15326.25  894.367  324.209   9.0651  316.492   9.2584 7.716278 12.95738 
1 1 1    9   10   20 o  454.947   8.8373 31668.64  1227.15 32340.86  1736.44 30997.94  1734.48  459.179   12.390  449.497   12.642 9.681305 17.70117 
1 1 1    9   10   21 o  260.369   7.0969 10364.66  563.998 10372.01  619.591 10329.14  1362.29  260.412   7.7952  258.185   17.388 2.226685 19.05569 
1 1 1    9   10   22 f  339.579   6.5284 17627.82  676.656 17461.69  916.966 17826.45  1002.63  337.733   8.8954  341.151   9.6289 -3.418121 13.10893 
1 1 1    9   10   23 o  149.931   3.7680  3432.66  172.430  3444.41  239.047  3419.90  248.962  150.146   5.2162  149.602   5.4523 0.5432129 7.545594 
1 1 1    9   10   24 o  323.287   6.2752 15978.72  619.202 15995.26  839.811 15959.01  916.586  323.211   8.5129  322.742   9.3047 0.4696960 12.61136 
1 1 1    9   10   25 o  173.423   6.7359  4599.86  356.550  4792.94  541.746  4452.31  473.577  176.501   10.098  170.219   9.1487 6.282120 13.62609 
1 1 1    9   10   26 o  293.411   6.5067 13166.28  582.712 13432.37  679.356 12425.50  1133.50  296.257   7.5130  284.124   13.071 12.13275 15.07606 
1 1 1    9   10   27 o  244.812   4.5553  9156.39  340.382  9464.11  508.276  8906.17  458.333  248.735   6.6949  241.330   6.2223 7.404663 9.139989 
1 1 1    9   10   28 o  383.830   6.9191 22542.49  810.603 23410.79  2807.00 22463.49  846.675  384.964   24.009  383.110   7.2406 1.854370 25.07717 
1 1 1    9   10   29 o  201.372   4.1959  6194.72  257.892  6469.34  1050.22  6177.10  266.038  203.528   17.063  201.079   4.3347 2.449509 17.60534 
1 1 1    9   10   30 o  203.493   5.2435  6329.90  325.681  6312.50  1083.49  6331.63  341.473  200.736   17.871  203.505   5.4975 -2.768875 18.69742 
1 1 1    9   10   31 o  194.085   4.9804  5757.51  295.032  5834.99  347.467  5557.32  558.516  195.331   5.8281  190.038   9.6607 5.292786 11.28255 
1 1 1    9   10   32 f  428.052   10.260 28151.66  1340.46 27850.99  1601.27 28855.80  2450.48  425.124   12.340  430.052   18.669 -4.928467 22.37870 
1 1 1    9   10   33 o  169.840   4.0298  4406.89  208.899  4534.12  309.782  4300.79  282.900  172.168   5.8950  167.703   5.5268 4.465225 8.080670 
1 1 1    9   10   34 o  199.357   5.2822  6076.85  321.414  6299.09  375.748  5470.76  620.522  202.909   6.0671  188.275   10.844 14.63339 12.42581 
1 1 1    9   10   35 o  180.429   4.0436  4973.86  222.684  4857.83  339.528  5061.44  294.993  178.172   6.2434  181.935   5.3122 -3.763428 8.197536 
1 1 1    9   10   36 o  259.263   5.0354 10276.56  398.471 10608.91  619.362 10041.85  520.492  263.106   7.7125  256.114   6.6583 6.991547 10.18902 
1 1 1    9   10   37 o  185.384   8.7798  5273.75  496.791  5519.83  862.927  5151.76  607.578  188.062   15.162  182.631   10.950 5.431519 18.70287 
1 1 1    9   10   38 o  143.351   3.2090  3138.42  140.405  3106.76  178.504  3189.77  227.372  142.593   4.1014  144.434   5.1576 -1.841583 6.589589 
1 1 1    9   10   39 o  483.505   9.4353 35909.81  1392.44 35173.77  1811.48 36972.75  2176.90  477.387   12.432  488.406   14.603 -11.01880 19.17825 
1 1 1    9   10   40 o  439.047   9.1784 29603.88  1229.98 30874.65  2590.68 29234.09  1397.53  443.731   19.128  435.872   10.505 7.859406 21.82294 
1 1 1    9   10   41 o  160.446   3.0147  3931.44  147.637  3937.75  266.584  3928.65  177.312  160.447   5.4436  160.364   3.6225 0.8265686E-01 6.538780 
1 1 1    9   10   42 o  245.086   4.9769  9185.36  372.301  9254.87  531.257  9118.28  521.894  245.758   7.0824  243.948   7.0092 1.810074 9.964380 
1 1 1    9   10   43 o  427.480   6.3023 27982.86  822.304 28110.04  1008.75 27730.96  1419.67  428.087   7.7203  424.096   10.967 3.990936 13.41225 
1 1 1    9   10   44 o  344.864   5.5940 18201.82  588.825 19231.90  1137.96 17825.18  688.104  353.208   10.556  341.086   6.6096 12.12265 12.45412 
1 1 1    9   10   45 o  280.218   4.0234 12002.22  344.119 12722.17  499.745 11353.04  474.549  288.276   5.6797  272.318   5.7094 15.95773 8.053282 
1 1 1    9   10   46 o  221.088   3.7144  7470.40  250.652  7678.38  323.753  7159.21  396.017  224.044   4.7344  216.184   6.0017 7.859924 7.644248 
1 1 1    9   10   47 o  188.041   6.1174  5419.07  351.101  6634.03  596.536  4775.12  434.290  207.456   9.4209  176.240   8.0735 31.21651 12.40703 
1 1 1    9   10   48 o   59.246   5.7807  542.938  103.200  551.527  122.652  522.117  190.970   59.554   6.8738   57.070   11.363 2.483910 13.28005 
1 1 1    9   10   49 o  119.954   3.1653  2198.90  115.892  2169.15  185.025  2218.11  148.667  119.011   5.0936  120.425   4.0447 -1.413963 6.504187 
1 1 1    9   10   50 o  166.195   4.4206  4227.69  224.240  4808.68  400.901  3963.16  270.515  176.772   7.4303  160.780   5.5124 15.99214 9.251837 
1 1 1    9   10   51 o  203.872   4.1003  6361.24  255.150  6657.71  391.447  6142.23  336.441  208.196   6.1600  200.102   5.5086 8.093750 8.263801 
1 1 1    9   10   52 o  195.224   4.4741  5838.86  266.598  6138.99  409.452  5617.99  351.256  199.697   6.7176  191.198   6.0190 8.498856 9.019681 
1 1 1    9   10   53 o   33.793   5.6089  180.065   55.823  185.764  134.278  178.875   61.379   34.766   11.162   33.571   6.2192 1.195515 12.77760 
1 1 1    9   10   54 o  204.067   3.8326  6378.21  238.718  7809.96  947.974  6281.27  246.667  220.458   14.163  202.479   3.9913 17.97813 14.71478 
1 1 1    9   10   55 o   67.007   4.3754  691.696   88.996  784.986  233.477  675.838   96.263   69.695   11.367   66.168   4.7991 3.526237 12.33900 
1 1 1    9   10   56 o   77.573   7.8586  944.364  183.501  1044.77  249.368  825.789  270.999   80.861   10.341   70.816   13.017 10.04502 16.62466 
1 1 1    9   11    0 o  406.430   17.509 25415.89  2162.82 25415.89  2162.82 25415.89  2162.82  406.430   17.509  406.430   17.509 0.000000 0.000000 
1 1 1    9   11    1 o  569.473   12.958 49633.97  2252.25 51379.13  5839.20 49328.96  2441.14  573.832   33.484  567.573   14.091 6.259644 36.32861 
1 1 1    9   11    2 o  639.728   16.113 62734.84  3146.20   0.0000   0.0000 62734.84  3146.20  ?   ?   639.728   16.113 0.000000 16.11292 
1 1 1    9   11    3 o  486.112   20.563 36326.28  3050.98   0.0000   0.0000 36326.28  3050.98  ?   ?   486.112   20.563 0.000000 20.56301 
1 1 1    9   11    4 o  586.083   13.153 52579.21  2352.89 52785.16  2550.39 51401.80  6097.98  587.079   14.233  573.258   35.019 13.82135 37.80109 
1 1 1    9   11    5 o  411.698   9.4455 25907.73  1186.92 25936.30  1286.45 25744.22  3077.49  411.869   10.233  407.768   24.845 4.100494 26.87015 
1 1 1    9   11    6 o   85.277   4.0592  1110.15  105.654  1078.37  123.931  1194.69  202.135   83.902   4.8602   88.107   7.5906 -4.204819 9.013247 
1 1 1    9   11    7 o  479.123   20.126 35293.00  2943.28   0.0000   0.0000 35293.00  2943.28  ?   ?   479.123   20.126 0.000000 20.12648 
1 1 1    9   11    8 o  173.776   5.1658  4610.87  273.996  4410.76  325.705  5095.33  506.777  169.943   6.2792  182.581   9.0938 -12.63858 11.05103 
1 1 1    9   11    9 o  503.361   11.278 38762.22  1732.66 38487.69  2067.44 39410.05  3175.90  501.309   13.512  506.115   20.559 -4.806519 24.60155 
1 1 1    9   11   10 o  519.883   11.432 41355.19  1813.98 40265.44  2108.25 44462.08  3559.77  512.729   13.472  537.241   21.709 -24.51190 25.54903 
1 1 1    9   11   11 o  388.648   7.5326 23078.69  893.545 22994.57  939.994 23867.25  2878.11  387.914   7.9391  392.383   24.149 -4.469299 25.42027 
1 1 1    9   11   12 f  194.926   4.3133  5800.98  256.621  5798.93  270.517  5819.41  811.109  194.887   4.5477  194.393   13.759 0.4941864 14.49141 
1 1 1    9   11   13 o   46.013   11.696  336.632  164.610  271.724  256.014  382.378  214.928   44.467   15.434   49.259   13.763 -4.792309 20.67959 
1 1 1    9   11   14 o  480.362   8.8400 35282.66  1296.10 36253.25  1753.41 34113.49  1924.45  486.558   11.807  471.754   13.365 14.80463 17.83330 
1 1 1    9   11   15 o  204.690   4.6712  6397.83  291.838  6395.66  421.315  6399.83  404.632  204.592   6.7469  204.668   6.4773 -0.7621765E-01 9.352835 
1 1 1    9   11   16 o  170.649   5.8943  4448.62  307.008  4330.08  339.098  4987.49  723.007  168.339   6.5997  179.844   13.265 -11.50513 14.81605 
1 1 1    9   11   17 o  235.568   4.9175  8475.09  353.573  8044.41  528.958  8822.94  475.378  229.387   7.5550  240.287   6.4817 -10.89969 9.954458 
1 1 1    9   11   18 o  487.664   10.184 36420.54  1515.88 36923.13  1939.57 35631.71  2429.93  490.488   12.956  480.978   16.552 9.509949 21.01947 
1 1 1    9   11   19 o  239.365   4.7816  8751.27  349.342  9248.89  545.539  8405.38  454.829  245.942   7.2673  234.512   6.3543 11.43008 9.653554 
1 1 1    9   11   20 f  217.373   6.1229  7221.72  406.237  7938.79  1095.12  7107.30  437.449  226.398   15.950  215.615   6.6471 10.78253 17.27948 
1 1 1    9   11   21 o  143.096   4.2853  3127.36  187.167  3189.29  217.613  2951.35  366.891  144.487   4.9345  138.570   8.7191 5.917419 10.01857 
1 1 1    9   11   22 o  116.620   2.9162  2076.35  103.803  2386.48  155.816  1828.88  139.188  125.003   4.0839  109.428   4.1673 15.57543 5.834777 
1 1 1    9   11   23 o  174.567   3.3973  4653.17  181.016  4693.84  232.134  4590.08  289.147  175.297   4.3386  173.303   5.4663 1.993927 6.978808 
1 1 1    9   11   24 o  289.736   5.6668 12831.77  501.134 12613.34  552.053 13854.64  1194.65  287.206   6.2975  300.034   13.045 -12.82819 14.48579 
1 1 1    9   11   25 o  192.247   5.0949  5647.96  298.958  5643.35  351.100  5660.08  570.127  192.120   5.9874  191.863   9.7679 0.2563324 11.45693 
1 1 1    9   11   26 o  358.266   5.3869 19619.03  589.059 19628.86  772.217 19605.34  910.988  358.154   7.0640  357.749   8.3429 0.4044495 10.93181 
1 1 1    9   11   27 o  133.210   3.0662  2709.52  124.666  2720.43  168.283  2696.24  185.596  133.449   4.1315  132.840   4.5774 0.6090546 6.166194 
1 1 1    9   11   28 f  242.734   5.9253  9010.31  438.996  9876.64  1342.04  8906.50  464.553  251.550   17.590  241.299   6.3076 10.25066 18.68676 
1 1 1    9   11   29 o  186.426   6.9611  5319.60  396.097  5538.84  940.851  5272.37  436.682  188.263   16.541  185.535   7.7112 2.727600 18.25029 
1 1 1    9   11   30 o  317.706   7.5252 15459.11  729.728 15179.44  848.930 16250.50  1428.06  314.606   8.8407  324.196   14.432 -9.589874 16.92443 
1 1 1    9   11   31 o  180.020   3.8113  4950.38  209.415  4866.86  619.977  4961.14  222.492  177.450   11.509  180.204   4.0451 -2.754654 12.19907 
1 1 1    9   11   32 o  198.583   3.1805  6022.34  192.773  6277.20  288.585  5816.99  259.047  202.661   4.6654  195.110   4.3499 7.551682 6.378674 
1 1 1    9   11   33 o  138.945   4.3000  2950.04  182.361  3243.23  271.026  2707.49  246.509  145.592   6.0990  133.026   6.0713 12.56580 8.605675 
1 1 1    9   11   34 o  258.284   5.2815 10200.82  416.363   0.0000   0.0000 10200.82  416.363  ?   ?   258.284   5.2815 0.000000 5.281496 
1 1 1    9   11   35 o   35.567   13.375  144.613  197.154   0.0000   0.0000  144.613  197.154  ?   ?    35.567   13.375 0.000000 13.37451 
1 1 1    9   11   36 o   91.373   4.2694  1275.83  119.069  1228.35  173.898  1317.73  163.373   89.354   6.4190   92.629   5.8079 -3.274673 8.656504 
1 1 1    9   11   37 o   72.267   3.5235  797.737   77.721  916.918  140.958  745.678   93.162   77.177   6.0319   69.714   4.4009 7.463303 7.466681 
1 1 1    9   11   38 o  195.263   2.8709  5822.27  171.101  6335.22  280.936  5519.82  215.726  203.592   4.5210  190.085   3.7182 13.50687 5.853581 
1 1 1    9   11   39 o  233.579   4.0140  8336.51  286.172  8390.35  359.244  8243.02  473.392  234.251   5.0245  232.015   6.6848 2.236267 8.362536 
1 1 1    9   11   40 o   77.226   3.0213  910.805   71.215  973.004  152.472  893.451   80.540   79.472   6.3385   76.478   3.4503 2.993874 7.216699 
1 1 1    9   11   41 o   46.570   5.5801  336.545   77.737   83.840  250.499  363.475   81.775   35.960   14.602   48.415   5.6395 -12.45463 15.65366 
1 1 1    9   11   42 o   72.621   3.4531  805.677   76.541  914.840  112.233  710.759  104.655   77.201   4.7866   67.980   5.0805 9.220459 6.980204 
1 1 1    9   11   43 o  167.740   2.4330  4296.29  124.564  4448.63  214.765  4219.07  152.912  170.602   4.1244  166.202   3.0143 4.400055 5.108521 
1 1 1    9   11   44 o  129.920   2.4342  2577.46   96.526  2686.74  162.954  2518.39  119.806  132.580   4.0269  128.402   3.0570 4.178162 5.055793 
1 1 1    9   11   45 o  157.851   2.6891  3805.49  129.560  4150.24  238.593  3661.32  154.290  164.715   4.7458  154.805   3.2654 9.910568 5.760664 
1 1 1    9   11   46 o  295.451   4.0090 13345.80  361.525 14415.08  526.623 12392.69  497.193  306.790   5.6239  284.438   5.7269 22.35242 8.026592 
1 1 1    9   11   47 f  114.584   2.6505  2005.43   92.699  2191.26  184.897  1943.04  107.136  119.638   5.0634  112.769   3.1127 6.869598 5.943608 
1 1 1    9   11   48 o  133.091   4.3229  2710.04  175.607  2781.52  224.610  2597.64  281.649  134.734   5.4618  129.829   7.1349 4.904999 8.985466 
1 1 1    9   11   49 o   94.330   3.4540  1360.37   99.447  1584.30  179.942  1261.90  119.326  101.465   5.8349   90.807   4.3053 10.65807 7.251274 
1 1 1    9   11   50 o  140.892   3.1747  3034.51  136.523  3367.81  256.238  2902.39  161.329  148.155   5.6664  137.737   3.8375 10.41846 6.843577 
1 1 1    9   11   51 o  179.608   3.4255  4934.02  187.786  6502.40  672.248  4801.29  195.571  203.889   10.841  177.153   3.6169 26.73683 11.42873 
1 1 1    9   11   52 o   64.355   3.8647  636.337   75.562  680.426  137.996  617.457   90.302   66.078   6.9461   63.285   4.7087 2.793617 8.391645 
1 1 1    9   11   53 o   46.344   4.1990  331.834   58.751  330.221  215.249  331.963   61.070   45.369   14.076   46.330   4.3703 -0.9606514 14.73914 
1 1 1    9   11   54 o   79.097   8.8042  985.836  208.947  1068.76  314.964  920.656  279.241   80.911   13.210   75.189   12.614 5.722115 18.26519 
1 1 1    9   11   55 o   51.891   4.3302  416.039   67.956  436.256  207.307  413.604   71.931   51.215   13.184   51.696   4.6069 -0.4816551 13.96542 
1 1 1    9   12    0 o  344.974   21.806 18463.07  2275.03 18463.07  2275.03 18463.07  2275.03  344.974   21.806  344.974   21.806 0.000000 0.000000 
1 1 1    9   12    1 o  379.607   9.3173 22029.21  1079.54 23479.10  2801.31 21776.34  1169.90  389.389   23.683  377.361   10.157 12.02844 25.76884 
1 1 1    9   12    2 o  118.569   4.3424  2146.31  157.152  2506.38  439.180  2093.44  168.296  127.483   11.407  117.096   4.7089 10.38745 12.34110 
1 1 1    9   12    3 o  531.400   9.5625 43174.36  1551.00 46488.52  2193.96 39863.26  2192.94  550.985   13.046  510.072   14.086 40.91360 19.19896 
1 1 1    9   12    4 o  239.391   6.1455  8752.59  449.034 11984.39  1187.52  8213.41  485.048  279.681   13.911  231.879   6.8534 47.80212 15.50763 
1 1 1    9   12    5 o  692.826   12.661 73496.73  2677.44 81136.46  8654.92 72688.23  2815.56  716.594   39.726  688.871   13.391 27.72296 41.92233 
1 1 1    9   12    6 f  437.038   9.9159 29209.67  1322.72 29279.38  1577.79 29044.84  2426.31  437.368   11.819  434.723   18.286 2.645752 21.77308 
1 1 1    9   12    7 o   69.049   8.0075  738.399  165.629   0.0000   0.0000  738.399  165.629  ?   ?    69.049   8.0075 0.000000 8.007520 
1 1 1    9   12    8 o  340.394   8.8622 17713.94  920.751 17656.13  1013.59 17986.89  2202.32  339.773   9.7736  340.940   21.269 -1.166656 23.40755 
1 1 1    9   12    9 o  496.971   12.197 37822.67  1850.09 37990.82  2037.00 37030.48  4421.36  497.896   13.404  486.685   29.909 11.21103 32.77505 
1 1 1    9   12   10 o  262.346   11.994 10540.42  960.407 10748.97  1373.89 10341.12  1343.07  263.901   17.150  258.834   17.097 5.067383 24.21594 
1 1 1    9   12   11 o  126.482   3.6711  2442.29  141.722  2420.13  150.251  2621.02  426.720  125.904   3.9098  130.410   10.818 -4.505585 11.50305 
1 1 1    9   12   12 o  165.217   6.4929  4170.56  327.425  4521.21  502.061  3911.05  431.914  171.636   9.6224  159.667   8.8981 11.96970 13.10598 
1 1 1    9   12   13 f  228.909   4.7736  8002.05  333.520  7296.86  476.231  8680.85  467.235  218.501   7.1408  238.357   6.4223 -19.85603 9.604014 
1 1 1    9   12   14 o  320.728   8.6772 15735.22  849.443   0.0000   0.0000 15735.22  849.443  ?   ?   320.728   8.6772 0.000000 8.677232 
1 1 1    9   12   15 o  179.964   9.2953  4969.96  508.841   0.0000   0.0000  4969.96  508.841  ?   ?   179.964   9.2953 0.000000 9.295325 
1 1 1    9   12   16 o  175.383   5.1393  4698.63  275.112  5205.23  767.401  4623.92  294.700  183.553   13.799  173.970   5.5500 9.583679 14.87284 
1 1 1    9   12   17 o   89.602   4.0434  1226.01  110.581  1070.98  139.842  1484.71  180.647   83.541   5.5153   98.380   6.0452 -14.83912 8.183135 
1 1 1    9   12   18 o  351.509   6.3848 18887.79  685.011 19405.26  971.932 18377.03  965.604  356.006   8.9446  346.422   9.1322 9.584076 12.78292 
1 1 1    9   12   19 o   39.655   4.0761  242.687   48.633  250.083   80.396  238.418   61.075   39.880   6.8518   39.155   5.2420 0.7250099 8.626994 
1 1 1    9   12   20 o  545.782   8.2236 45600.91  1369.93 46023.82  1737.07 44905.14  2228.04  547.802   10.389  540.182   13.513 7.619934 17.04543 
1 1 1    9   12   21 o  125.082   3.2577  2388.89  124.372  2480.65  136.995  1958.71  296.633  127.456   3.5215  112.754   8.6862 14.70171 9.372857 
1 1 1    9   12   22 f  325.404   5.1174 16180.88  508.265 16183.72  666.324 16176.93  785.999  325.279   6.7114  325.067   7.9220 0.2121887 10.38269 
1 1 1    9   12   23 o  198.154   5.0467  6000.26  305.232  5973.70  356.867  6072.67  589.116  197.667   5.9150  198.992   9.6995 -1.325531 11.36077 
1 1 1    9   12   24 o  123.685   3.6530  2336.32  137.905  2334.61  146.153  2350.27  416.389  123.634   3.8731  123.184   11.197 0.4496613 11.84780 
1 1 1    9   12   25 o   89.169   2.8177  1213.96   76.688  1246.18  104.920  1177.00  112.369   90.328   3.8056   87.777   4.1942 2.550903 5.663380 
1 1 1    9   12   26 o  169.594   3.2986  4392.20  170.747  4763.46  226.708  3905.55  259.556  176.581   4.2064  159.842   5.3201 16.73930 6.782136 
1 1 1    9   12   27 o  389.877   9.3812 23320.73  1116.36 22944.58  1333.54 24201.80  2040.95  386.258   11.311  394.826   16.936 -8.568176 20.36593 
1 1 1    9   12   28 o  245.295   4.8103  9195.86  360.147 10084.66  569.018  8601.85  465.180  256.639   7.2642  237.106   6.4278 19.53278 9.699735 
1 1 1    9   12   29 o  436.628   6.5540 29175.30  873.448 29835.58  1144.50 28254.33  1351.68  441.124   8.5003  428.800   10.328 12.32355 13.37594 
1 1 1    9   12   30 o  225.857   3.7717  7792.33  260.011  8112.38  343.908  7365.27  397.257  230.374   4.8909  219.427   5.9315 10.94670 7.687893 
1 1 1    9   12   31 o  204.195   3.2162  6367.75  200.451  6456.94  296.953  6293.09  271.690  205.535   4.7335  202.932   4.3864 2.602631 6.453415 
1 1 1    9   12   32 o  544.309   11.251 45616.53  1869.21 46543.77  2172.69 42975.43  3666.87  549.021   12.966  521.023   23.058 27.99756 26.45329 
1 1 1    9   12   33 o  131.083   6.3644  2629.86  254.638  2795.63  611.961  2595.15  280.032  133.407   15.306  129.979   7.0853 3.427979 16.86635 
1 1 1    9   12   34 f  323.485   5.3625 16002.90  529.466 15290.41  915.779 16360.64  648.916  315.501   9.5098  326.922   6.5032 -11.42075 11.52080 
1 1 1    9   12   35 o  105.932   3.6550  1714.22  118.178  1892.46  200.315  1619.06  146.362  111.058   5.9309  102.919   4.6593 8.139534 7.542155 
1 1 1    9   12   36 o  326.114   9.5479 16338.98  950.373   0.0000   0.0000 16338.98  950.373  ?   ?   326.114   9.5479 0.000000 9.547901 
1 1 1    9   12   37 o  113.830   5.3625  1981.68  186.311  2018.77  212.689  1859.35  386.263  114.694   6.0975  109.201   11.775 5.492249 13.26013 
1 1 1    9   12   38 o  113.598   3.8091  1971.56  132.070  1930.13  221.557  1994.39  164.490  112.092   6.5038  114.220   4.7182 -2.128143 8.034985 
1 1 1    9   12   39 o  214.655   4.5117  7043.22  295.599  8284.35  1185.01  6960.87  305.249  229.775   17.018  213.383   4.6868 16.39165 17.65135 
1 1 1    9   12   40 o  151.491   3.1376  3505.22  145.078  3945.71  286.067  3352.69  168.332  160.567   5.8371  148.134   3.7230 12.43333 6.923301 
1 1 1    9   12   41 o   59.304   3.2048  538.783   57.796  280.151  268.069  551.391   59.187   44.947   15.782   59.994   3.2443 -15.04632 16.11248 
1 1 1    9   12   42 o  437.384   6.0975 29295.30  814.014 29850.78  1073.87 28545.00  1248.05  440.975   7.9785  430.700   9.4938 10.27505 12.40114 
1 1 1    9   12   43 o  178.645   2.9710  4874.69  162.000  4756.16  324.359  4914.09  186.992  176.222   6.0304  179.341   3.4161 -3.118546 6.930775 
1 1 1    9   12   44 o  111.130   3.1708  1886.74  107.552  2075.82  208.046  1817.78  125.644  116.269   5.8816  109.057   3.7746 7.212212 6.988621 
1 1 1    9   12   45 o  166.189   3.3060  4220.17  167.697  4383.31  224.267  4013.26  252.567  169.295   4.3401  161.924   5.1103 7.370422 6.704638 
1 1 1    9   12   46 f   95.241   3.5536  1386.48  103.303  1396.55  183.596  1381.82  124.961   95.215   6.3539   95.047   4.3075 0.1683426 7.676353 
1 1 1    9   12   47 o   56.153   4.0374  484.744   68.735  501.012  528.244  484.464   69.325   60.164   22.026   56.133   4.0740 4.030796 22.39963 
1 1 1    9   12   48 o  160.921   2.9145  3956.99  143.150  4585.77  210.036  3411.55  195.620  173.141   3.9744  149.309   4.2925 23.83263 5.849938 
1 1 1    9   12   49 o  106.097   3.8819  1722.20  125.709  1973.62  215.383  1592.30  154.814  113.182   6.2591  101.935   4.9759 11.24644 7.995955 
1 1 1    9   12   50 o   90.913   4.4930  1266.17  124.675  1635.91  719.820  1254.73  126.589   96.490   24.420   90.378   4.6042 6.112465 24.85041 
1 1 1    9   12   51 o  114.478   4.2986  2007.87  150.198  2358.38  356.763  1932.37  165.588  122.762   9.5977  112.247   4.8332 10.51493 10.74601 
1 1 1    9   12   52 o  106.059   4.7767  1726.01  154.628   0.0000   0.0000  1726.01  154.628  ?   ?   106.059   4.7767 0.000000 4.776683 
1 1 1    9   12   53 o  108.131   8.3465  1827.61  273.335  1916.33  389.725  1741.73  383.460  109.463   11.854  104.121   12.304 5.341919 17.08520 
1 1 1    9   12   54 o   50.318   3.5010  389.637   53.434   0.0000   0.0000  389.637   53.434  ?   ?    50.318   3.5010 0.000000 3.501017 
1 1 1    9   13    0 o  373.524   23.377 21681.54  2641.20 21681.54  2641.20 21681.54  2641.20  373.524   23.377  373.524   23.377 0.000000 0.000000 
1 1 1    9   13    1 o  218.218   6.3241  7274.35  421.215  7108.36  455.469  8255.04  1107.11  215.693   6.9184  231.344   15.773 -15.65067 17.22353 
1 1 1    9   13    2 o  453.454   10.653 31468.00  1474.40 31589.95  1597.79 30768.71  3826.18  454.224   11.525  443.766   28.397 10.45795 30.64687 
1 1 1    9   13    3 o  405.411   8.8684 25132.28  1097.38 25201.85  1274.19 24932.45  2159.36  405.835   10.286  402.642   17.571 3.192291 20.36026 
1 1 1    9   13    4 o  335.566   14.600 17278.09  1495.36 18220.54  2119.03 16343.20  2110.51  343.148   20.323  324.673   21.418 18.47467 29.52490 
1 1 1    9   13    5 o  336.915   8.2389 17353.91  847.243 19494.30  2211.24 16985.62  917.242  354.890   20.501  333.263   9.0174 21.62744 22.39666 
1 1 1    9   13    6 o  298.944   7.1759 13657.25  654.765 13697.26  780.347 13562.07  1203.56  299.295   8.5422  297.407   13.259 1.888702 15.77215 
1 1 1    9   13    7 o  297.502   5.6020 13518.99  508.688 13700.09  756.912 13369.82  686.952  299.334   8.2846  295.748   7.6101 3.586304 11.24934 
1 1 1    9   13    8 o  481.916   19.645 35835.64  2889.69 39062.63  4094.04 32631.88  4079.28  500.070   26.922  455.880   29.475 44.18979 39.91916 
1 1 1    9   13    9 o  230.775   6.5287  8138.01  459.866  8091.68  506.185  8357.00  1100.43  230.085   7.2078  232.652   15.587 -2.567017 17.17273 
1 1 1    9   13   10 o  433.275   18.387 28953.00  2431.66 29653.28  3445.16 28257.80  3432.65  435.467   26.039  424.837   26.606 10.62967 37.22840 
1 1 1    9   13   11 o  286.574   7.0891 12553.91  620.075 12440.16  739.350 12823.64  1138.52  285.169   8.4943  289.083   12.903 -3.913422 15.44830 
1 1 1    9   13   12 o  353.008   6.8451 19048.58  737.532 19451.59  1098.04 18717.32  995.530  356.383   10.095  349.681   9.3275 6.700989 13.74415 
1 1 1    9   13   13 o  277.777   7.7240 11801.28  654.874   0.0000   0.0000 11801.28  654.874  ?   ?   277.777   7.7240 0.000000 7.724036 
1 1 1    9   13   14 o  115.289   7.7760  2042.40  272.030   0.0000   0.0000  2042.40  272.030  ?   ?   115.289   7.7760 0.000000 7.775985 
1 1 1    9   13   15 o  359.399   11.320 19816.07  1241.79 19454.95  1770.50 20165.71  1742.14  355.106   16.335  361.665   15.782 -6.558807 22.71351 
1 1 1    9   13   16 o   50.643   3.5020  393.479   53.799  380.752   84.499  402.155   69.767   49.591   5.6852   51.112   4.5187 -1.520718 7.262201 
1 1 1    9   13   17 o  511.511   11.259 40159.99  1757.89 39378.61  2042.81 42389.68  3450.81  505.959   13.228  521.488   21.680 -15.52856 25.39696 
1 1 1    9   13   18 o  267.471   4.5451 10928.62  371.056 11115.10  456.470 10565.37  637.083  269.678   5.5456  262.723   7.9448 6.955048 9.688807 
1 1 1    9   13   19 o  317.327   5.9613 15394.39  577.387 15413.90  821.150 15375.31  812.024  317.243   8.4803  316.857   8.3963 0.3862915 11.93375 
1 1 1    9   13   20 o  329.758   5.9488 16625.08  598.744 16755.68  659.158 16009.03  1431.66  330.990   6.5246  322.142   14.561 8.848083 15.95553 
1 1 1    9   13   21 o  153.549   3.5329  3600.54  165.574  3634.22  254.492  3575.83  218.028  154.197   5.4073  152.984   4.6693 1.213608 7.144312 
1 1 1    9   13   22 o  113.048   3.6209  1951.74  124.939  1935.86  131.599  2096.80  397.754  112.582   3.8297  116.264   11.354 -3.681908 11.98202 
1 1 1    9   13   23 o  272.130   10.194 11368.11  846.705 11726.75  1051.27 10705.88  1428.52  275.987   12.480  261.892   17.980 14.09586 21.88656 
1 1 1    9   13   24 o  136.204   3.4016  2833.08  141.415  3085.92  214.722  2639.40  187.927  142.098   4.9508  131.426   4.6848 10.67215 6.815971 
1 1 1    9   13   25 o  110.359   6.3059  1869.18  211.527  1887.59  362.435  1859.67  260.495  110.290   10.910  109.911   7.8159 0.3794556 13.42042 
1 1 1    9   13   26 o   92.316   6.2782  1309.80  175.850  1039.86  577.651  1337.36  184.612   80.148   22.624   93.261   6.5266 -13.11328 23.54658 
1 1 1    9   13   27 o  202.840   5.2560  6290.31  325.410  6556.29  1034.50  6261.10  342.812  204.787   16.696  202.348   5.5506 2.438950 17.59424 
1 1 1    9   13   28 o  155.279   2.7946  3681.63  132.449  4085.70  198.667  3358.34  177.704  163.535   3.9801  148.267   3.9268 15.26755 5.591153 
1 1 1    9   13   29 o  504.789   8.6045 39084.95  1325.72 38877.98  1522.21 39734.98  2697.70  503.034   9.9142  504.978   17.503 -1.943787 20.11552 
1 1 1    9   13   30 o  235.108   5.5279  8453.80  396.680  8761.13  463.708  7615.25  765.966  239.261   6.3497  222.099   11.337 17.16174 12.99401 
1 1 1    9   13   31 o  185.612   3.4926  5262.33  197.865  5555.38  360.660  5136.15  236.661  190.532   6.2017  183.336   4.2292 7.195679 7.506527 
1 1 1    9   13   32 o   97.486   3.2757  1451.46   97.469  1748.01  155.748  1260.56  124.964  106.935   4.7718   90.817   4.5082 16.11758 6.564598 
1 1 1    9   13   33 o  324.256   6.5556 16096.36  648.810 16400.07  920.381 15796.34  914.756  326.797   9.2272  320.701   9.3452 6.097015 13.13297 
1 1 1    9   13   34 o  111.289   4.1093  1892.48  139.584  1892.48  139.584   0.0000   0.0000  111.289   4.1093  ?   ?  0.000000 4.109296 
1 1 1    9   13   35 o  122.995   9.5921  2338.32  357.249  2460.29  598.675  2270.86  445.204  124.801   16.091  120.710   12.254 4.091248 20.22571 
1 1 1    9   13   36 f  240.939   5.7676  8881.67  424.151  9010.87  495.761  8528.85  819.279  242.578   6.6958  235.243   11.410 7.335663 13.22988 
1 1 1    9   13   37 f  244.010   4.9279  9103.88  367.017  9369.36  558.447  8902.03  486.948  247.249   7.4000  241.107   6.6169 6.142029 9.926901 
1 1 1    9   13   38 o  129.935   3.6684  2579.36  145.484  2645.02  244.468  2543.36  181.029  131.452   6.0931  128.985   4.5982 2.467667 7.633430 
1 1 1    9   13   39 o  133.102   4.0397  2707.42  164.117  2641.46  252.064  2755.95  216.229  131.342   6.2877  134.225   5.2779 -2.882339 8.209231 
1 1 1    9   13   40 o  336.283   5.2591 17300.64  539.804 17253.59  914.161 17325.83  668.866  335.051   8.9391  336.307   6.5161 -1.256592 11.06198 
1 1 1    9   13   41 f  226.009   3.4494  7804.15  237.949  8279.07  466.060  7636.70  276.735  232.444   6.5691  223.524   4.0562 8.920273 7.720505 
1 1 1    9   13   42 o   87.404   2.7017  1166.72   72.074  1302.69  127.479  1102.83   87.380   92.296   4.5252   84.960   3.3696 7.335754 5.641978 
1 1 1    9   13   43 o  198.872   3.1677  6042.27  192.281  6774.62  359.586  5749.01  227.545  210.340   5.6010  193.937   3.8441 16.40295 6.793232 
1 1 1    9   13   44 o   97.604   2.2128  1454.69   65.922  1514.51  128.027  1433.11   76.899   99.517   4.2149   96.867   2.6009 2.649948 4.952796 
1 1 1    9   13   45 o  142.947   3.1428  3122.30  137.122  3217.19  263.953  3087.23  160.475  144.870   5.9694  142.108   3.6998 2.761871 7.022964 
1 1 1    9   13   46 o  154.731   3.3859  3659.50  159.907  3711.00  291.664  3637.36  191.206  155.537   6.1437  154.209   4.0623 1.327866 7.365316 
1 1 1    9   13   47 o  189.471   2.7610  5484.95  159.672  6035.23  264.386  5169.00  200.333  198.578   4.3620  183.862   3.5698 14.71548 5.636569 
1 1 1    9   13   48 o   62.459   2.9727  596.251   56.671  706.763  138.933  574.193   62.069   67.449   6.8434   61.191   3.3359 6.257580 7.613172 
1 1 1    9   13   49 o   63.149   5.3011  616.066  101.231  576.914  659.547  617.010  102.445   64.352   24.402   63.189   5.3623 1.162228 24.98409 
1 1 1    9   13   50 o  147.826   5.5989  3357.28  252.622   0.0000   0.0000  3357.28  252.622  ?   ?   147.826   5.5989 0.000000 5.598909 
1 1 1    9   13   51 o   88.932   4.7095  1216.74  127.380   0.0000   0.0000  1216.74  127.380  ?   ?    88.932   4.7095 0.000000 4.709541 
1 1 1    9   13   52 o   49.092   3.5599  370.964   52.980  471.482  282.032  367.287   53.940   53.307   16.031   48.837   3.6449 4.470348 16.44031 
1 1 1    9   13   53 o  146.454   4.6505  3294.08  207.883  3252.21  558.072  3300.83  224.005  141.989   13.022  146.530   5.0086 -4.541733 13.95221 
1 1 1    9   14    0 o  635.944   26.917 62754.22  5203.51 62754.22  5203.51 62754.22  5203.51  635.944   26.917  635.944   26.917 0.000000 0.000000 
1 1 1    9   14    1 o  230.153   8.6671  8103.33  608.845  9293.66  747.721  5761.20  1048.84  246.384   9.9428  192.471   18.065 53.91301 20.62056 
1 1 1    9   14    2 o  340.881   7.7422 17767.73  805.533 18252.46  960.021 16614.59  1480.73  345.371   9.1070  328.799   14.755 16.57263 17.33891 
1 1 1    9   14    3 o  246.204   6.9152  9265.27  519.657  9084.47  570.475 10146.58  1259.53  243.747   7.6680  256.256   16.187 -12.50885 17.91101 
1 1 1    9   14    4 o  247.166   7.2451  9339.47  546.579  8752.15  599.950 12206.85  1325.63  239.208   8.2172  281.279   15.501 -42.07051 17.54389 
1 1 1    9   14    5 o  300.307   13.483 13848.23  1235.84 14367.46  1749.74 13331.37  1745.75  304.415   18.925  293.013   19.633 11.40219 27.26988 
1 1 1    9   14    6 o  176.187   9.5280  4766.10  510.478  4406.65  728.292  5113.26  715.721  168.738   14.275  182.059   12.965 -13.32092 19.28342 
1 1 1    9   14    7 o  277.516   7.6135 11777.85  644.896 11635.67  709.546 12453.14  1546.35  275.772   8.4297  283.473   17.965 -7.700897 19.84456 
1 1 1    9   14    8 o  489.572   12.163 36778.18  1817.48 36840.71  2000.83 36483.16  4346.04  489.706   13.386  480.279   29.794 9.426666 32.66320 
1 1 1    9   14    9 o  256.693   6.5041 10072.07  509.584 11973.32  1343.83  9752.77  550.715  278.319   15.885  252.549   7.1444 25.76900 17.41780 
1 1 1    9   14   10 o  108.443   4.0365  1795.84  133.605  1800.83  158.165  1783.41  249.631  108.579   4.7725  107.707   7.6430 0.8720245 9.010704 
1 1 1    9   14   11 o  397.984   10.379 24280.32  1260.73   0.0000   0.0000 24280.32  1260.73  ?   ?   397.984   10.379 0.000000 10.37861 
1 1 1    9   14   12 o  326.126   8.8134 16285.79  877.299   0.0000   0.0000 16285.79  877.299  ?   ?   326.126   8.8134 0.000000 8.813438 
1 1 1    9   14   13 o  334.637   8.9019 17150.51  909.234   0.0000   0.0000 17150.51  909.234  ?   ?   334.637   8.9019 0.000000 8.901941 
1 1 1    9   14   14 o  101.025   3.3253  1558.37  102.536  1557.93  114.398  1560.17  231.234  101.005   3.7107  100.692   7.5794 0.3127975 8.439034 
1 1 1    9   14   15 o  325.409   6.3091 16191.31  626.632 15864.96  690.135 17723.79  1495.53  322.040   7.0211  339.082   14.450 -17.04279 16.06557 
1 1 1    9   14   16 f  144.649   3.1642  3194.73  139.701  3206.19  174.652  3174.36  232.772  144.888   3.9493  144.122   5.2915 0.7656250 6.602857 
1 1 1    9   14   17 o  415.165   9.3243 26421.85  1181.55 27503.61  2341.48 26052.28  1368.58  420.948   18.224  411.919   10.885 9.029297 21.22743 
1 1 1    9   14   18 o  333.224   8.1388 17005.07  827.774 16920.13  897.536 17488.61  2141.50  332.285   8.8496  333.986   21.116 -1.700928 22.89558 
1 1 1    9   14   19 o  219.474   5.7667  7364.42  386.305  7286.80  850.225  7384.62  433.651  217.160   12.885  219.723   6.4662 -2.563141 14.41643 
1 1 1    9   14   20 o  327.695   7.2390 16436.23  724.046 16413.58  842.545 16500.20  1415.87  327.298   8.4340  326.973   14.187 0.3247986 16.50478 
1 1 1    9   14   21 o  222.247   7.8042  7564.64  529.395  7914.04  775.583  7259.85  724.391  226.900   11.199  217.081   10.968 9.819199 15.67551 
1 1 1    9   14   22 o  129.002   3.5578  2541.59  140.087  2511.49  153.917  2686.86  338.146  128.225   3.9328  132.143   8.4278 -3.917648 9.300237 
1 1 1    9   14   23 o  119.108   3.4886  2166.69  126.828  2475.92  193.588  1934.17  167.872  127.275   4.9833  112.495   4.8891 14.77968 6.981144 
1 1 1    9   14   24 o  255.891   5.0418 10009.18  393.781  9940.84  433.181 10334.41  945.005  254.971   5.5662  259.054   11.952 -4.082855 13.18422 
1 1 1    9   14   25 o  109.449   3.3221  1829.45  110.980  1992.15  180.199  1730.03  140.866  114.153   5.1718  106.406   4.3373 7.747215 6.749843 
1 1 1    9   14   26 o  277.660   5.3045 11787.91  449.550 11975.40  704.697 11659.24  583.762  279.483   8.2609  275.956   6.9307 3.526978 10.78323 
1 1 1    9   14   27 o  183.200   5.0765  5131.12  283.864  5088.23  331.726  5248.41  548.588  182.372   5.9594  184.586   9.7719 -2.213959 11.44576 
1 1 1    9   14   28 o  344.648   5.7057 18169.29  600.212 17690.22  761.910 18952.88  974.423  339.818   7.3458  351.383   9.0855 -11.56494 11.68365 
1 1 1    9   14   29 o  340.696   9.1046 17819.74  946.767 21378.13  2302.57 17095.72  1038.63  368.192   20.571  333.449   10.205 34.74265 22.96345 
1 1 1    9   14   30 o  147.119   5.1848  3309.58  232.818  3297.90  254.483  3369.55  576.631  146.830   5.6784  147.140   12.972 -0.3101654 14.16065 
1 1 1    9   14   31 o  149.582   5.0086  3420.96  228.673  3499.27  250.074  3021.29  564.953  151.261   5.4166  139.150   13.470 12.11021 14.51868 
1 1 1    9   14   32 o   53.078   3.9954  432.884   64.252  425.833  108.082  436.738   79.905   52.276   6.9458   53.215   4.9773 -0.9390793 8.545032 
1 1 1    9   14   33 o  288.612   7.5897 12766.82  668.579 12868.31  735.890 12286.95  1600.17  289.630   8.3244  279.460   18.870 10.17068 20.62498 
1 1 1    9   14   34 o  197.382   4.2999  5954.03  259.048  6062.09  383.212  5863.09  351.534  199.004   6.3090  195.749   5.8837 3.255142 8.626778 
1 1 1    9   14   35 o  213.090   3.8104  6937.48  247.827  6690.75  329.361  7259.48  376.263  209.168   5.1589  217.831   5.6592 -8.662903 7.657744 
1 1 1    9   14   36 o   59.847   6.4678  554.767  116.265  554.085  166.958  555.409  162.001   59.308   9.5470   59.438   9.2290 -0.1296768 13.27859 
1 1 1    9   14   37 o  247.127   6.1105  9349.15  460.911  9166.61  594.255  9624.77  730.200  244.438   7.9650  250.183   9.5624 -5.744827 12.44511 
1 1 1    9   14   38 o  202.387   14.886  6403.49  913.110   0.0000   0.0000  6403.49  913.110  ?   ?   202.387   14.886 0.000000 14.88612 
1 1 1    9   14   39 o   34.454   13.664  100.571  213.998  323.712  684.982   76.436  225.274   60.551   24.301   34.142   13.854 26.40943 27.97256 
1 1 1    9   14   40 o  149.051   5.2095  3399.33  236.998  3408.71  289.793  3380.39  411.829  149.161   6.3653  147.954   9.1647 1.206528 11.15830 
1 1 1    9   14   41 o  184.044   4.3340  5179.25  243.461  5296.18  377.914  5096.29  318.317  185.866   6.6615  182.434   5.7166 3.432114 8.778125 
1 1 1    9   14   42 o  126.331   2.6857  2437.55  103.559  2553.38  165.061  2362.35  132.991  129.225   4.1849  124.333   3.5044 4.892227 5.458396 
1 1 1    9   14   43 o  170.034   3.4802  4418.55  180.617  4566.98  308.733  4341.31  222.705  172.640   5.8590  168.475   4.3309 4.164749 7.285941 
1 1 1    9   14   44 o  111.672   3.7823  1906.65  128.920  2590.78  651.670  1878.79  131.520  126.859   17.280  110.847   3.8873 16.01224 17.71156 
1 1 1    9   14   45 o  194.890   3.8480  5808.55  228.900  6224.76  340.344  5464.78  309.306  201.530   5.5330  188.851   5.3660 12.67879 7.707678 
1 1 1    9   14   46 o   55.603   4.8326  477.076   81.201  462.657  100.726  503.842  137.234   54.560   6.1561   56.601   8.1811 -2.040577 10.23860 
1 1 1    9   14   47 o  147.213   3.8725  3315.86  174.004  3715.60  232.211  2803.98  262.771  155.716   4.8858  135.078   6.3735 20.63791 8.030685 
1 1 1    9   14   48 o  146.386   13.837  3417.48  610.893   0.0000   0.0000  3417.48  610.893  ?   ?   146.386   13.837 0.000000 13.83660 
1 1 1    9   14   49 o  114.847   13.703  2120.52  470.864   0.0000   0.0000  2120.52  470.864  ?   ?   114.847   13.703 0.000000 13.70313 
1 1 1    9   14   50 o   72.290   4.2991  803.903   94.429   0.0000   0.0000  803.903   94.429  ?   ?    72.290   4.2991 0.000000 4.299066 
1 1 1    9   14   51 o  163.064   13.623  4285.48  671.805   0.0000   0.0000  4285.48  671.805  ?   ?   163.064   13.623 0.000000 13.62275 
1 1 1    9   14   52 o  159.257   9.4364  3985.28  456.646  4289.71  660.251  3706.12  632.248  162.926   13.396  151.072   13.866 11.85371 19.28004 
1 1 1    9   15    0 o  127.324   12.684  2554.62  481.718  2554.62  481.718  2554.62  481.718  127.324   12.684  127.324   12.684 0.000000 0.000000 
1 1 1    9   15    1 o  322.419   11.693 15954.24  1150.68 15180.46  1993.31 16340.97  1409.20  311.873   21.064  325.876   14.168 -14.00266 25.38508 
1 1 1    9   15    2 o  142.393   6.9584  3100.54  302.423  1975.00  520.157  3675.30  371.704  112.149   15.620  154.786   7.8939 -42.63690 17.50120 
1 1 1    9   15    3 o  321.666   11.575 15879.19  1136.46 16088.40  1971.31 15775.04  1390.85  321.347   20.201  320.152   14.233 1.195007 24.71200 
1 1 1    9   15    4 o  278.909   12.789 11954.17  1088.76 11622.71  1542.35 12283.39  1537.12  273.364   18.596  281.224   18.002 -7.859650 25.88210 
1 1 1    9   15    5 o  177.349   5.9251  4807.33  320.733  4807.33  320.733   0.0000   0.0000  177.349   5.9251  ?   ?  0.000000 5.925111 
1 1 1    9   15    6 o  337.975   9.6267 17503.16  993.072 17503.16  993.072   0.0000   0.0000  337.975   9.6267  ?   ?  0.000000 9.626747 
1 1 1    9   15    7 o  104.826   4.5438  1678.53  145.380  1617.15  156.414  2068.14  394.049  102.882   4.9810  115.536   11.320 -12.65398 12.36705 
1 1 1    9   15    8 o  227.833   6.3674  7936.49  442.792  7839.42  1081.28  7956.05  485.355  224.814   15.860  228.072   6.9722 -3.258377 17.32450 
1 1 1    9   15    9 o  207.169   10.288  6582.47  650.562   0.0000   0.0000  6582.47  650.562  ?   ?   207.169   10.288 0.000000 10.28840 
1 1 1    9   15   10 o  155.059   8.8547  3695.01  417.335   0.0000   0.0000  3695.01  417.335  ?   ?   155.059   8.8547 0.000000 8.854707 
1 1 1    9   15   11 o   87.782   7.7647  1188.63  205.895   0.0000   0.0000  1188.63  205.895  ?   ?    87.782   7.7647 0.000000 7.764719 
1 1 1    9   15   12 o  129.097   4.1218  2545.59  162.411  2431.50  469.104  2561.13  173.117  125.133   12.448  129.483   4.3804 -4.350189 13.19579 
1 1 1    9   15   13 o  569.656   10.364 49797.91  1801.98 51344.37  2680.99 48523.58  2433.69  576.594   15.234  560.961   14.214 15.63306 20.83523 
1 1 1    9   15   14 o  147.395   3.8036  3318.06  171.115  3570.99  242.689  3068.01  241.305  152.859   5.2017  141.670   5.5805 11.18896 7.628814 
1 1 1    9   15   15 o   62.629   4.4333  602.231   84.199  621.704   89.272  445.371  253.371   63.621   4.6290   53.007   14.991 10.61470 15.68929 
1 1 1    9   15   16 o  105.986   3.8362  1715.67  124.097  1715.67  124.097   0.0000   0.0000  105.986   3.8362  ?   ?  0.000000 3.836153 
1 1 1    9   15   17 o  324.400   5.6022 16088.71  554.701 16936.52  822.884 15382.61  750.972  332.514   8.1080  316.942   7.7629 15.57181 11.22508 
1 1 1    9   15   18 o  395.394   7.3931 23934.70  892.221 23755.57  982.603 24776.20  2129.75  393.772   8.1755  399.388   17.471 -5.615875 19.28921 
1 1 1    9   15   19 o  145.402   4.2110  3229.91  186.885  3464.73  221.262  2645.40  349.087  150.571   4.8145  131.068   8.7768 19.50302 10.01060 
1 1 1    9   15   20 o  235.153   4.5039  8449.46  323.263  8579.85  340.628  7267.48  1025.54  236.947   4.7099  216.059   15.657 20.88797 16.35052 
1 1 1    9   15   21 o  340.000   8.2748 17718.23  858.722 17644.33  931.137 18138.63  2220.97  339.158   8.9949  339.181   21.565 -0.2301025E-01 23.36600 
1 1 1    9   15   22 o   67.634   3.2170  698.576   66.411  752.992  103.890  660.974   86.360   70.018   4.8919   65.628   4.3357 4.390129 6.536790 
1 1 1    9   15   23 o  163.189   7.9137  4081.12  394.174  4149.98  799.453  4059.01  453.074  162.693   16.319  162.375   9.1794 0.3184052 18.72373 
1 1 1    9   15   24 o  221.923   6.3625  7536.88  430.971  8483.46  1150.07  7382.25  464.843  233.134   16.264  219.577   6.9359 13.55701 17.68136 
1 1 1    9   15   25 o  215.278   11.247  7154.36  736.459  7193.30  1101.70  7122.90  990.222  214.320   16.981  213.780   15.276 0.5393982 22.84088 
1 1 1    9   15   26 o  167.484   5.3454  4289.65  273.258  4138.72  295.418  5184.02  719.108  164.476   5.8846  182.765   12.975 -18.28935 14.24730 
1 1 1    9   15   27 o  212.933   4.7743  6930.92  310.289  6808.08  440.758  7051.62  436.898  210.853   6.8486  214.610   6.6698 -3.757004 9.559809 
1 1 1    9   15   28 o  169.493   5.2334  4393.02  270.741  4492.95  295.493  3870.39  675.773  171.381   5.6489  157.473   14.213 13.90849 15.29442 
1 1 1    9   15   29 o  298.639   4.9164 13635.18  448.134 14783.72  779.580 13068.36  547.663  310.461   8.2269  292.219   6.1403 18.24185 10.26573 
1 1 1    9   15   30 o  129.389   3.0380  2556.71  119.978  2568.47  156.739  2540.07  186.452  129.655   3.9607  128.903   4.7390 0.7515717 6.176175 
1 1 1    9   15   31 o  179.722   3.8179  4934.77  209.433  4919.92  240.175  4981.93  427.850  179.420   4.3857  180.267   7.7760 -0.8473358 8.927555 
1 1 1    9   15   32 o  159.964   4.9875  3912.52  243.516  3799.35  288.137  4195.40  455.554  157.568   5.9912  165.040   9.0784 -7.471893 10.87710 
1 1 1    9   15   33 o  252.196   4.9808  9725.22  383.404 10759.25  556.644  8791.87  528.852  265.033   6.8812  239.533   7.2335 25.49962 9.983706 
1 1 1    9   15   34 o   85.206   2.6110  1108.58   67.903  1198.06  117.424  1063.62   83.230   88.536   4.3453   83.448   3.2678 5.087738 5.436928 
1 1 1    9   15   35 o  446.234   7.6598 30535.88  1043.26 29588.29  1544.68 31330.69  1414.68  437.910   11.557  451.136   10.274 -13.22559 15.46318 
1 1 1    9   15   36 f  371.916   11.544 21350.88  1310.44 21608.80  2712.59 21272.36  1496.67  366.360   24.398  370.575   13.232 -4.214752 27.75506 
1 1 1    9   15   37 o  211.310   10.649  6900.71  684.648   0.0000   0.0000  6900.71  684.648  ?   ?   211.310   10.649 0.000000 10.64946 
1 1 1    9   15   38 o   42.106   4.3732  273.963   55.383  377.323   97.970  225.418   67.141   49.172   6.7023   37.908   6.0028 11.26335 8.997458 
1 1 1    9   15   39 o  360.741   4.8705 19907.01  536.269 20620.74  782.888 19276.07  736.074  366.690   6.9949  354.579   6.8013 12.11023 9.756362 
1 1 1    9   15   40 f  212.497   5.9192  6916.87  383.915  6935.73  463.192  6875.48  686.202  212.608   7.1378  210.712   10.705 1.895050 12.86617 
1 1 1    9   15   41 o  148.977   3.9329  3393.03  178.833  3685.72  292.384  3218.09  226.044  155.070   6.1775  144.998   5.1076 10.07155 8.015505 
1 1 1    9   15   42 o  131.264   4.7477  2636.80  190.215  2711.55  815.222  2632.50  195.615  128.220   21.598  131.146   4.8868 -2.926620 22.14429 
1 1 1    9   15   43 o  203.234   4.6262  6321.38  286.969   0.0000   0.0000  6321.38  286.969  ?   ?   203.234   4.6262 0.000000 4.626176 
1 1 1    9   15   44 o  212.628   3.8779  6914.70  251.670  7308.75  446.992  6731.81  304.525  218.128   6.7138  209.682   4.7582 8.446823 8.228987 
1 1 1    9   15   45 o   77.611   3.7336  921.300   88.445  937.318  170.243  915.378  103.510   77.713   7.2614   77.202   4.4110 0.5103226 8.496212 
1 1 1    9   15   46 o  107.945   5.0869  1786.42  167.600  1823.56  183.320  1597.34  413.682  108.877   5.5346   99.728   13.974 9.148918 15.03014 
1 1 1    9   15   47 o   76.170   11.150  924.918  251.555  1044.48  383.020  834.227  333.586   79.352   16.358   70.912   15.815 8.440269 22.75288 
1 1 1    9   15   48 o  108.716   3.4211  1808.47  113.523  2194.01  467.064  1784.27  117.033  116.941   13.323  107.975   3.5511 8.965500 13.78854 
1 1 1    9   15   49 o  128.402   2.9757  2521.66  116.620   0.0000   0.0000  2521.66  116.620  ?   ?   128.402   2.9757 0.000000 2.975684 
1 1 1    9   15   50 o  213.198   5.4975  6994.43  357.740  5859.98  964.709  7175.30  385.205  188.040   16.992  215.820   5.8477 -27.78041 17.97015 
1 1 1    9   15   51 o   92.415   12.478  1385.17  342.973   0.0000   0.0000  1385.17  342.973  ?   ?    92.415   12.478 0.000000 12.47812 
1 1 1    9   16    0 o  221.827   15.686  7665.31  1049.87  7665.31  1049.87  7665.31  1049.87  221.827   15.686  221.827   15.686 0.000000 0.000000 
1 1 1    9   16    1 o  315.567   11.021 15289.43  1061.55 14024.37  1834.23 15926.56  1301.70  299.480   20.184  321.642   13.259 -22.16199 24.14968 
1 1 1    9   16    2 o  199.503   10.203  6121.53  619.237  6174.87  880.202  6069.25  871.331  199.583   14.549  197.865   14.529 1.718048 20.56173 
1 1 1    9   16    3 o  313.078   14.081 15107.74  1345.59 14378.03  1904.56 15834.99  1901.36  303.029   20.716  318.468   19.657 -15.43970 28.55758 
1 1 1    9   16    4 o  187.903   9.7990  5429.06  560.047  5408.70  793.378  5449.27  790.681  186.821   14.016  187.545   13.912 -0.7242889 19.74787 
1 1 1    9   16    5 f  173.115   4.0671  4577.42  214.900  4203.17  318.667  4889.58  291.036  165.789   6.2975  178.866   5.3309 -13.07693 8.250858 
1 1 1    9   16    6 o  265.733   7.0992 10804.51  575.799 10120.02  684.925 12454.02  1063.26  257.007   8.7313  284.570   12.241 -27.56323 15.03626 
1 1 1    9   16    7 o  364.157   8.6812 20317.41  964.905 20156.13  1150.14 20700.68  1773.01  362.401   10.398  365.901   15.876 -3.500183 18.97765 
1 1 1    9   16    8 o  123.610   12.362  2373.50  460.161   0.0000   0.0000  2373.50  460.161  ?   ?   123.610   12.362 0.000000 12.36232 
1 1 1    9   16    9 o  241.816   16.537  9094.90  1213.22   0.0000   0.0000  9094.90  1213.22  ?   ?   241.816   16.537 0.000000 16.53673 
1 1 1    9   16   10 o  180.538   5.6876  4982.95  313.409  4833.12  342.646  5750.20  775.393  177.766   6.3151  192.747   13.261 -14.98042 14.68767 
1 1 1    9   16   11 o  417.574   10.430 26770.71  1329.37 26959.71  1462.73 25873.71  3186.63  418.790   11.443  403.525   26.011 15.26526 28.41725 
1 1 1    9   16   12 o  225.727   11.041  7829.35  760.697  7707.77  1078.07  7949.90  1073.52  222.593   15.974  226.165   15.647 -3.572784 22.36106 
1 1 1    9   16   13 o  109.917   4.8434  1846.29  162.491  1846.29  162.491   0.0000   0.0000  109.917   4.8434  ?   ?  0.000000 4.843368 
1 1 1    9   16   14 o  188.242   5.8962  5418.83  338.769  5225.86  370.513  6402.43  836.499  184.815   6.5682  203.293   13.559 -18.47838 15.06602 
1 1 1    9   16   15 f   95.921   4.4646  1405.82  130.710  1534.52  376.467  1388.18  139.381   99.001   12.755   95.186   4.8131 3.815056 13.63313 
1 1 1    9   16   16 o  241.241   5.8363  8900.08  429.743  8936.86  500.214  8796.42  839.713  241.651   6.7819  239.116   11.505 2.535507 13.35554 
1 1 1    9   16   17 o  131.939   3.3545  2658.53  135.090  2731.16  147.937  2294.03  331.420  133.721   3.6246  121.974   8.9650 11.74775 9.669985 
1 1 1    9   16   18 o  122.959   3.5918  2309.22  134.800  2314.54  142.690  2265.00  411.095  123.094   3.7978  120.822   11.278 2.272224 11.90019 
1 1 1    9   16   19 o  145.927   3.4316  3252.32  152.844  3339.59  161.721  2522.29  467.763  147.867   3.5833  127.377   12.180 20.48962 12.69606 
1 1 1    9   16   20 o  258.110   5.4994 10187.74  433.245 10597.48  506.496  9070.47  836.369  263.165   6.3057  242.757   11.288 20.40845 12.92964 
1 1 1    9   16   21 o  304.136   4.9145 14139.81  456.209 14923.00  561.056 12611.53  783.744  312.333   5.8853  286.679   8.9570 25.65390 10.71748 
1 1 1    9   16   22 o   71.452   5.8093  786.117  125.598  842.936  146.022  624.549  246.233   73.922   6.5393   62.425   13.329 11.49720 14.84637 
1 1 1    9   16   23 o  100.457   3.5774  1541.52  109.690  1686.51  180.871  1457.17  137.954  104.851   5.6728   97.640   4.6290 7.210381 7.321803 
1 1 1    9   16   24 o   65.847   3.8103  664.612   76.252  682.924   84.331  582.546  178.524   66.724   4.1616   60.788   9.9675 5.935783 10.80144 
1 1 1    9   16   25 f  151.993   3.5247  3528.86  163.517  3531.04  256.201  3527.36  212.404  151.939   5.5245  151.913   4.5809 0.2584839E-01 7.176686 
1 1 1    9   16   26 o  124.145   3.9408  2354.76  149.325  2500.02  186.964  2098.85  248.150  127.881   4.7900  116.853   6.9896 11.02842 8.473428 
1 1 1    9   16   27 o  362.702   6.8182 20146.84  754.814 19907.89  1176.03 20314.23  984.313  359.623   10.714  363.767   8.8653 -4.144135 13.90623 
1 1 1    9   16   28 o  218.336   3.8634  7283.30  257.458  7256.92  338.548  7319.48  396.477  217.849   5.0915  218.709   5.9393 -0.8596191 7.822961 
1 1 1    9   16   29 o  185.792   3.9104  5274.06  221.750  5236.43  253.565  5396.44  457.243  185.093   4.4883  187.588   7.9859 -2.495117 9.160755 
1 1 1    9   16   30 o  296.738   7.3402 13493.83  664.813 13366.69  791.334 13798.82  1225.68  295.073   8.7864  298.621   13.447 -3.548157 16.06344 
1 1 1    9   16   31 o  379.755   6.3964 22079.33  741.411 22476.08  816.569 20216.80  1769.23  383.034   6.9845  360.330   16.087 22.70407 17.53757 
1 1 1    9   16   32 o  199.050   3.7626  6053.48  228.593  5873.10  295.021  6324.47  361.607  195.982   4.9320  203.295   5.8276 -7.313049 7.634507 
1 1 1    9   16   33 o  244.224   5.5834  9126.08  416.199  9159.45  516.143  9064.06  703.730  244.502   6.9162  242.802   9.4959 1.700058 11.74763 
1 1 1    9   16   34 o   34.615   6.1004  188.842   62.098  194.406  809.305  188.809   62.282   61.808   25.784   34.609   6.1198 27.19828 26.49997 
1 1 1    9   16   35 o  167.169   13.430  4360.05  679.475   0.0000   0.0000  4360.05  679.475  ?   ?   167.169   13.430 0.000000 13.43016 
1 1 1    9   16   36 o   53.497   8.1805  449.431  129.330  477.931  181.567  420.078  184.264   54.661   11.258   51.114   12.014 3.546726 16.46416 
1 1 1    9   16   37 o   59.621   4.9161  547.455   88.664  603.919  104.579  403.129  167.198   62.570   5.5330   50.119   11.211 12.45098 12.50165 
1 1 1    9   16   38 o  299.026   4.6211 13676.48  421.765 14528.24  555.784 12519.96  647.627  307.979   5.9125  285.600   7.4293 22.37860 9.494843 
1 1 1    9   16   39 o  157.931   2.5985  3809.31  125.258  3944.96  213.224  3737.83  154.780  160.609   4.3496  156.409   3.2422 4.200317 5.424997 
1 1 1    9   16   40 o  106.617   2.8037  1736.40   91.238  1904.90  179.145  1677.39  106.018  111.539   5.2621  104.771   3.3153 6.768570 6.219395 
1 1 1    9   16   41 o  117.652   2.9360  2114.77  105.432  2198.04  199.848  2082.66  124.108  119.783   5.4662  116.729   3.4834 3.054062 6.481818 
1 1 1    9   16   42 o   57.949   16.923  544.340  318.015   0.0000   0.0000  544.340  318.015  ?   ?    57.949   16.923 0.000000 16.92286 
1 1 1    9   16   43 o  128.432   13.578  2613.91  524.210   0.0000   0.0000  2613.91  524.210  ?   ?   128.432   13.578 0.000000 13.57843 
1 1 1    9   16   44 o   50.992   9.7329  416.002  145.955  394.366  163.832  499.232  321.323   49.379   11.136   55.674   17.186 -6.294399 20.47849 
1 1 1    9   16   45 o   38.102   4.7410  225.872   53.943  276.604  115.556  211.736   60.997   41.437   9.3579   36.725   5.6204 4.711933 10.91601 
1 1 1    9   16   46 o  129.681   3.6510  2573.61  144.512   0.0000   0.0000  2573.61  144.512  ?   ?   129.681   3.6510 0.000000 3.650999 
1 1 1    9   16   47 o  138.827   3.7474  2950.85  158.790   0.0000   0.0000  2950.85  158.790  ?   ?   138.827   3.7474 0.000000 3.747422 
1 1 1    9   16   48 o  193.050   3.6309  5706.91  213.944   0.0000   0.0000  5706.91  213.944  ?   ?   193.050   3.6309 0.000000 3.630889 
1 1 1    9   16   49 o  109.698   3.4187  1842.55  114.466   0.0000   0.0000  1842.55  114.466  ?   ?   109.698   3.4187 0.000000 3.418724 
1 1 1    9   16   50 o   65.791   4.4033  667.453   87.912  1031.75  358.918  644.202   90.674   78.197   15.585   64.594   4.6298 13.60267 16.25818 
1 1 1    9   17    0 o  213.844   15.351  7129.55  990.126  7129.55  990.126  7129.55  990.126  213.844   15.351  213.844   15.351 0.000000 0.000000 
1 1 1    9   17    1 o  162.339   9.2036  4053.91  454.157  4302.36  644.437  3808.76  640.135  166.665   12.765  156.609   13.524 10.05602 18.59747 
1 1 1    9   17    2 o  152.319   9.0077  3569.22  416.916  3526.60  593.191  3610.83  586.091  150.749   13.020  152.613   12.697 -1.863464 18.18627 
1 1 1    9   17    3 o  165.718   8.0194  4206.35  405.630  2582.06  688.453  5070.04  502.021  127.679   18.179  181.848   9.0448 -54.16866 20.30513 
1 1 1    9   17    4 o  375.929   13.318 21785.52  1528.15 20609.24  2647.75 22373.05  1871.26  360.789   24.184  380.078   16.130 -19.28891 29.06982 
1 1 1    9   17    5 o  264.991   9.2970 10769.54  751.953 10235.17  1302.19 11036.88  921.033  256.401   16.731  267.951   11.262 -11.54916 20.16811 
1 1 1    9   17    6 o  113.084   8.5497  1970.90  292.922   0.0000   0.0000  1970.90  292.922  ?   ?   113.084   8.5497 0.000000 8.549724 
1 1 1    9   17    7 o  138.775   8.7355  2963.68  368.124   0.0000   0.0000  2963.68  368.124  ?   ?   138.775   8.7355 0.000000 8.735538 
1 1 1    9   17    8 o  194.225   5.6734  5767.98  336.330  5398.50  398.511  6682.64  627.015  187.812   6.9518  208.660   9.8451 -20.84831 12.05215 
1 1 1    9   17    9 o   64.375   8.3129  645.496  159.523  494.099  279.164  718.902  194.386   55.740   15.725   67.774   9.6712 -12.03340 18.46135 
1 1 1    9   17   10 o  171.509   5.6090  4497.67  293.625  4292.18  320.515  5570.46  732.329  167.505   6.2691  189.709   12.721 -22.20358 14.18192 
1 1 1    9   17   11 o   96.952   12.737  1472.90  367.781   0.0000   0.0000  1472.90  367.781  ?   ?    96.952   12.737 0.000000 12.73665 
1 1 1    9   17   12 o  229.059   6.4217  8027.91  448.969  8042.30  492.423  7957.01  1093.08  229.205   7.0388  226.012   15.948 3.192825 17.43205 
1 1 1    9   17   13 o  239.980   11.121  8858.11  814.555 11165.57  1159.16  6607.13  1144.88  268.409   14.200  205.075   18.490 63.33456 23.31295 
1 1 1    9   17   14 f  507.163   12.648 39660.63  1957.85 39735.25  2154.83 39307.54  4687.31  507.089   13.922  491.222   31.428 15.86771 34.37333 
1 1 1    9   17   15 o  191.434   5.9686  5605.89  348.746  5422.09  381.371  6544.33  861.756  188.217   6.6385  205.341   13.830 -17.12410 15.34090 
1 1 1    9   17   16 o   98.439   13.362  1522.91  391.096  1522.91  391.096   0.0000   0.0000   98.439   13.362  ?   ?  0.000000 13.36203 
1 1 1    9   17   17 f   38.227   6.2778  229.445   70.703  229.445   70.703   0.0000   0.0000   38.227   6.2778  ?   ?  0.000000 6.277765 
1 1 1    9   17   18 o  117.196   6.9593  2110.56  247.826  2113.32  370.592  2108.32  333.320  116.764   10.511  116.801   9.4301 -0.3684998E-01 14.12129 
1 1 1    9   17   19 o  205.137   4.4219  6430.99  276.868  6354.59  303.758  6806.13  673.074  203.883   4.8812  210.360   10.483 -6.476883 11.56364 
1 1 1    9   17   20 o  141.273   3.8639  3049.10  166.612  2842.93  258.629  3195.37  217.837  136.296   6.2169  144.572   4.9366 -8.276169 7.938566 
1 1 1    9   17   21 o  108.336   4.9828  1794.41  164.764  1766.88  197.505  1857.41  298.796  107.285   6.0562  109.631   9.0091 -2.346275 10.85548 
1 1 1    9   17   22 o  127.855   4.7080  2498.85  183.727   0.0000   0.0000  2498.85  183.727  ?   ?   127.855   4.7080 0.000000 4.708017 
1 1 1    9   17   23 o  223.342   9.1181  7660.17  621.572  7121.40  1095.23  7916.15  754.926  213.085   16.981  226.740   10.908 -13.65437 20.18260 
1 1 1    9   17   24 o  224.512   4.3161  7703.37  295.764  8159.75  461.610  7385.52  385.225  230.854   6.5512  219.712   5.7444 11.14252 8.712982 
1 1 1    9   17   25 o  407.381   8.9953 25484.24  1118.49 25123.67  1428.73 26055.05  1797.63  403.667   11.596  409.966   14.366 -6.298523 18.46212 
1 1 1    9   17   26 o  276.380   4.4579 11675.15  376.056 11668.52  494.022 11684.28  579.882  276.148   5.8612  276.197   6.8787 -0.4925537E-01 9.037128 
1 1 1    9   17   27 f  195.363   4.5877  5834.15  273.562  6240.01  343.927  5135.10  451.367  201.965   5.5792  182.972   8.0822 18.99289 9.820839 
1 1 1    9   17   28 o  159.577   3.7163  3890.45  181.011  4209.71  283.005  3669.42  235.474  165.883   5.5895  154.911   4.9802 10.97148 7.486309 
1 1 1    9   17   29 o  179.452   4.3561  4921.95  238.597  4885.56  250.405  5280.75  786.282  178.772   4.5891  184.052   14.104 -5.280167 14.83164 
1 1 1    9   17   30 o  159.045   5.3876  3869.48  261.535  3733.22  281.752  4718.02  703.110  156.182   5.9104  174.083   13.334 -17.90045 14.58536 
1 1 1    9   17   31 o  323.063   6.0850 15977.44  600.022 16416.96  854.441 15549.81  842.799  326.982   8.5613  318.202   8.6777 8.779358 12.19010 
1 1 1    9   17   32 o   63.851   5.0282  627.392   97.200  626.788  114.283  628.970  184.813   63.714   5.9453   63.189   9.9081 0.5249023 11.55499 
1 1 1    9   17   33 o  251.068   8.6407  9684.53  662.148 10214.91  1500.30  9556.23  737.902  253.725   19.523  249.182   9.7021 4.543030 21.80080 
1 1 1    9   17   34 o  111.243   3.7616  1891.07  127.721  2005.54  246.955  1849.27  149.229  114.145   7.1239  109.977   4.4456 4.167610 8.397251 
1 1 1    9   17   35 o  396.631   5.8783 24090.14  711.632 24881.38  933.966 22994.95  1098.81  402.632   7.5999  386.518   9.3140 16.11383 12.02113 
1 1 1    9   17   36 o  197.366   3.5764  5952.65  215.448  6053.08  288.897  5826.82  323.391  198.922   4.7582  195.100   5.4307 3.822617 7.220300 
1 1 1    9   17   37 o   75.085   3.7056  861.701   84.923  777.966  177.097  886.706   96.776   70.642   8.3768   76.036   4.1860 -5.394905 9.364525 
1 1 1    9   17   38 o  168.287   2.9389  4326.44  150.957  4473.71  228.983  4213.23  200.761  171.021   4.3867  166.002   3.9623 5.018997 5.911250 
1 1 1    9   17   39 o  150.008   4.7862  3444.02  219.142  4297.57  571.942  3297.16  237.247  166.099   11.349  146.727   5.2975 19.37227 12.52495 
1 1 1    9   17   40 o  185.728   3.5742  5273.44  202.617  5727.96  359.677  5062.15  245.230  193.247   6.0979  181.886   4.4173 11.36084 7.529773 
1 1 1    9   17   41 o  179.077   10.687  4993.14  581.457  5535.00  863.120  4542.90  786.780  186.700   15.280  168.969   15.426 17.73085 21.71268 
1 1 1    9   17   42 o  141.034   2.7648  3039.27  119.017  3266.70  182.235  2870.11  157.165  146.109   4.0864  136.982   3.7590 9.127518 5.552372 
1 1 1    9   17   43 o  193.733   3.6661  5741.56  216.785  5941.04  280.652  5446.47  341.342  196.924   4.6693  188.325   5.9383 8.598877 7.554218 
1 1 1    9   17   44 o   73.980   4.6809  842.168  105.151   0.0000   0.0000  842.168  105.151  ?   ?    73.980   4.6809 0.000000 4.680915 
1 1 1    9   17   45 o  158.990   5.6334  3884.67  273.374   0.0000   0.0000  3884.67  273.374  ?   ?   158.990   5.6334 0.000000 5.633397 
1 1 1    9   17   46 o   50.209   5.0310  390.910   76.063   0.0000   0.0000  390.910   76.063  ?   ?    50.209   5.0310 0.000000 5.031012 
1 1 1    9   17   47 f   51.993   2.9616  414.854   46.803   0.0000   0.0000  414.854   46.803  ?   ?    51.993   2.9616 0.000000 2.961552 
1 1 1    9   17   48 o   69.618   15.231  816.632  314.655  1027.66  637.656  748.708  361.767   75.106   24.346   65.891   17.638 9.214325 30.06384 
1 1 1    9   17   49 o  119.895   13.732  2350.46  493.472   0.0000   0.0000  2350.46  493.472  ?   ?   119.895   13.732 0.000000 13.73240 
1 1 1    9   18    0 o  127.091   5.0772  2478.66  196.234  2478.66  196.234  2478.66  196.234  127.091   5.0772  127.091   5.0772 0.000000 0.000000 
1 1 1    9   18    1 o  249.700   5.3036  9532.20  404.209  9043.64  571.617 10020.82  571.659  242.977   7.7077  255.814   7.3214 -12.83702 10.63066 
1 1 1    9   18    2 o  215.287   4.7149  7083.24  309.822  7714.78  438.796  6455.38  437.514  224.547   6.4023  205.352   6.9803 19.19427 9.471793 
1 1 1    9   18    3 o  125.573   12.207  2451.44  461.953   0.0000   0.0000  2451.44  461.953  ?   ?   125.573   12.207 0.000000 12.20695 
1 1 1    9   18    4 f  253.949   12.310  9936.97  954.154   0.0000   0.0000  9936.97  954.154  ?   ?   253.949   12.310 0.000000 12.30989 
1 1 1    9   18    5 o  132.735   8.2167  2710.66  331.254   0.0000   0.0000  2710.66  331.254  ?   ?   132.735   8.2167 0.000000 8.216721 
1 1 1    9   18    6 o  148.211   7.3440  3364.01  332.225  2729.93  579.407  3674.59  405.506  132.065   14.619  154.562   8.6301 -22.49680 16.97647 
1 1 1    9   18    7 o  158.754   7.6580  3860.91  371.070  2681.40  633.418  4477.21  457.862  130.480   16.257  170.625   8.8219 -40.14427 18.49677 
1 1 1    9   18    8 o  296.484   7.5542 13465.36  683.604 12852.96  812.501 14949.38  1264.81  289.403   9.1982  311.172   13.317 -21.76862 16.18494 
1 1 1    9   18    9 f  130.133   4.8808  2588.49  193.861  2493.31  209.365  3160.66  513.324  127.696   5.3717  142.762   11.889 -15.06581 13.04574 
1 1 1    9   18   10 o  312.817   14.152 15134.86  1351.21 14323.92  1912.08 15943.80  1909.73  301.299   20.921  318.511   19.741 -17.21252 28.76498 
1 1 1    9   18   11 o  124.415   8.8198  2386.52  332.755  1667.98  465.501  3137.35  475.842  102.655   15.326  142.373   11.036 -39.71742 18.88626 
1 1 1    9   18   12 o  166.182   4.9235  4221.62  249.731  4142.68  294.617  4423.14  470.694  164.563   5.8656  169.514   9.1310 -4.951553 10.85268 
1 1 1    9   18   13 o  231.416   6.0576  8193.90  427.870  8126.18  507.931  8359.40  793.989  230.333   7.2249  233.027   11.163 -2.693283 13.29730 
1 1 1    9   18   14 o  273.973   12.447 11581.38  1040.87 12305.18  1483.29 10879.17  1461.00  280.442   17.415  263.291   18.294 17.15063 25.25733 
1 1 1    9   18   15 o  165.744   5.5042  4201.54  278.452  4084.27  305.478  4777.67  677.103  163.372   6.1261  175.468   12.729 -12.09621 14.12675 
1 1 1    9   18   16 o  190.716   5.4816  5563.05  319.087  5658.85  350.770  5103.46  768.287  192.311   5.9759  181.055   14.012 11.25638 15.23284 
1 1 1    9   18   17 o  220.335   7.7189  7441.62  519.107  6458.64  1033.52  7773.27  600.326  202.946   16.837  225.052   8.7395 -22.10588 18.96988 
1 1 1    9   18   18 o   80.816   3.7819  997.801   93.287  1110.85  105.822  603.633  197.596   85.264   4.0662   61.729   10.885 23.53468 11.61994 
1 1 1    9   18   19 o  146.049   4.8313  3260.99  215.365   0.0000   0.0000  3260.99  215.365  ?   ?   146.049   4.8313 0.000000 4.831254 
1 1 1    9   18   20 f  284.317   13.126 12498.70  1139.06   0.0000   0.0000 12498.70  1139.06  ?   ?   284.317   13.126 0.000000 13.12586 
1 1 1    9   18   21 o  189.500   4.9673  5490.70  287.305  5780.12  339.108  4754.50  540.842  194.370   5.7160  175.527   10.138 18.84354 11.63859 
1 1 1    9   18   22 o  153.986   4.8092  3625.15  226.032  3066.98  641.777  3704.20  241.507  139.713   15.300  155.639   5.0839 -15.92598 16.12241 
1 1 1    9   18   23 o  156.471   3.5008  3739.98  167.192  3922.19  183.671  2859.06  403.851  160.226   3.7557  136.022   9.7929 24.20390 10.48838 
1 1 1    9   18   24 o  118.478   3.0542  2143.78  110.448  2165.48  144.313  2113.10  171.603  119.046   3.9717  117.565   4.7822 1.481125 6.216397 
1 1 1    9   18   25 o  156.359   4.0610  3735.95  193.809  3715.38  202.945  3949.07  653.307  155.918   4.2645  159.154   13.579 -3.236053 14.23256 
1 1 1    9   18   26 o  240.805   4.9999  8867.16  367.486  8527.97  545.356  9149.27  497.361  235.850   7.5758  244.416   6.6669 -8.566162 10.09159 
1 1 1    9   18   27 o  407.697   9.1068 25537.77  1133.24 25285.99  1316.41 26258.39  2227.07  405.186   10.644  409.548   17.816 -4.362061 20.75369 
1 1 1    9   18   28 o  218.799   5.6029  7325.09  374.173  7244.36  434.385  7557.25  736.635  217.487   6.5437  221.438   10.899 -3.950546 12.71245 
1 1 1    9   18   29 o  182.768   7.5090  5122.47  418.888  5243.73  634.649  5028.87  557.598  184.013   11.355  180.452   10.165 3.561234 15.24045 
1 1 1    9   18   30 o  117.197   4.1838  2099.39  149.660  2131.08  184.928  2039.23  254.781  118.033   5.1332  115.098   7.2901 2.934746 8.915956 
1 1 1    9   18   31 o  230.161   5.7325  8108.79  402.710  8724.78  869.615  7940.63  454.367  237.235   12.049  227.659   6.5389 9.576447 13.70916 
1 1 1    9   18   32 o  210.524   4.2597  6775.52  273.712  7689.27  443.699  6214.17  347.769  224.015   6.4892  201.482   5.6551 22.53337 8.607567 
1 1 1    9   18   33 o  123.387   3.8333  2326.83  144.364  2677.53  266.002  2180.40  171.880  132.170   6.5938  119.397   4.7165 12.77293 8.106978 
1 1 1    9   18   34 o  204.715   3.2750  6402.89  204.635  6383.16  305.394  6418.96  275.677  204.257   4.8985  204.878   4.4085 -0.6210480 6.590159 
1 1 1    9   18   35 o   63.856   3.3771  624.816   65.587  675.290  183.306  617.406   70.237   65.546   9.4344   63.454   3.6418 2.091419 10.11284 
1 1 1    9   18   36 o  155.554   3.3494  3697.61  159.025  3601.98  208.390  3830.96  246.070  153.452   4.4493  158.197   5.0962 -4.745010 6.765121 
1 1 1    9   18   37 o  103.233   4.5520  1630.62  143.431  1671.34  163.208  1492.51  300.595  104.478   5.1180   97.741   10.227 6.737289 11.43656 
1 1 1    9   18   38 o  299.529   5.9523 13757.36  544.177 14413.26  811.457 13221.31  733.586  305.763   8.6949  293.010   8.2026 12.75305 11.95339 
1 1 1    9   18   39 o  142.107   4.8403  3092.38  209.943  3057.72  245.208  3187.58  406.339  141.217   5.6890  143.324   9.3397 -2.107300 10.93590 
1 1 1    9   18   40 o  118.551   5.6026  2155.50  202.727  2045.94  250.916  2361.47  344.039  115.099   7.1781  123.239   9.2129 -8.139732 11.67914 
1 1 1    9   18   41 o   68.404   7.1322  727.963  146.719  728.322  192.263  727.463  227.026   67.919   9.5373   67.409   11.443 0.5095825 14.89667 
1 1 1    9   18   42 o  201.235   4.3219  6202.13  265.457  6249.94  293.409  5986.50  623.168  201.932   4.7605  195.755   10.468 6.176468 11.49933 
1 1 1    9   18   43 o  121.664   5.0692  2271.33  188.244   0.0000   0.0000  2271.33  188.244  ?   ?   121.664   5.0692 0.000000 5.069201 
1 1 1    9   18   44 o   91.378   4.3585  1280.01  121.561   0.0000   0.0000  1280.01  121.561  ?   ?    91.378   4.3585 0.000000 4.358488 
1 1 1    9   18   45 o  102.603   5.0088  1617.10  156.861   0.0000   0.0000  1617.10  156.861  ?   ?   102.603   5.0088 0.000000 5.008842 
1 1 1    9   18   46 o  204.230   6.6368  6445.33  413.710   0.0000   0.0000  6445.33  413.710  ?   ?   204.230   6.6368 0.000000 6.636813 
1 1 1    9   18   47 o   34.736   5.6316  190.568   57.663   99.103  148.720  206.751   62.556   29.912   11.527   36.166   5.8680 -6.254129 12.93509 
1 1 1    9   19    1 o  440.736   28.090 31386.30  3759.07   0.0000   0.0000 31386.30  3759.07  ?   ?   440.736   28.090 0.000000 28.09010 
1 1 1    9   19    2 o  159.605   13.109  3959.90  632.943   0.0000   0.0000  3959.90  632.943  ?   ?   159.605   13.109 0.000000 13.10852 
1 1 1    9   19    3 o  136.074   12.351  2878.76  507.393   0.0000   0.0000  2878.76  507.393  ?   ?   136.074   12.351 0.000000 12.35121 
1 1 1    9   19    4 o  182.414   13.859  5175.37  765.841   0.0000   0.0000  5175.37  765.841  ?   ?   182.414   13.859 0.000000 13.85872 
1 1 1    9   19    5 o  370.289   16.692 21339.22  1886.49   0.0000   0.0000 21339.22  1886.49  ?   ?   370.289   16.692 0.000000 16.69157 
1 1 1    9   19    6 f  197.066   5.9500  5941.64  357.884  5861.04  392.759  6336.02  868.754  195.670   6.5764  201.834   14.192 -6.164093 15.64206 
1 1 1    9   19    7 o  304.657   8.0989 14231.64  753.107 14150.06  826.525 14630.59  1827.83  303.632   8.9185  304.792   19.754 -1.160553 21.67415 
1 1 1    9   19    8 o  252.877   11.547  9853.33  891.277  7545.26  1242.22 12302.06  1279.52  218.831   18.780  281.269   14.958 -62.43832 24.00915 
1 1 1    9   19    9 o   88.190   10.810  1214.48  284.885  1051.88  362.567  1476.87  460.568   81.078   15.210   96.199   16.266 -15.12050 22.26891 
1 1 1    9   19   10 o  110.682   4.4887  1872.33  151.640  1775.03  171.915  2213.40  321.862  107.739   5.2279  119.761   8.8682 -12.02211 10.29445 
1 1 1    9   19   11 o  398.984   9.5724 24459.46  1165.72 24039.86  1389.51 25456.60  2142.02  394.946   11.527  403.911   17.375 -8.965515 20.85064 
1 1 1    9   19   12 o  220.765   10.796  7502.95  727.450  7712.13  1040.96  7303.29  1017.00  222.312   15.437  216.289   15.508 6.022751 21.88138 
1 1 1    9   19   13 o  242.582   11.799  9075.13  873.604  8250.21  1242.86  9880.71  1228.20  229.095   17.917  251.517   16.083 -22.42160 24.07632 
1 1 1    9   19   14 o  231.232   6.3362  8184.82  447.194  8266.64  491.911  7795.18  1073.47  232.314   6.9374  223.347   15.850 8.967163 17.30145 
1 1 1    9   19   15 o  283.393   7.1220 12304.23  616.039 12184.31  733.210 12592.11  1136.00  281.772   8.5254  285.388   13.041 -3.616272 15.58083 
1 1 1    9   19   16 o  149.404   6.6761  3418.26  304.442  3666.61  605.017  3334.06  352.293  153.465   13.040  147.247   7.8671 6.218063 15.22925 
1 1 1    9   19   17 o   66.136   9.0612  684.064  178.102   0.0000   0.0000  684.064  178.102  ?   ?    66.136   9.0612 0.000000 9.061181 
1 1 1    9   19   18 o  105.887   8.8956  1733.60  284.834   0.0000   0.0000  1733.60  284.834  ?   ?   105.887   8.8956 0.000000 8.895621 
1 1 1    9   19   19 o  129.034   4.5558  2545.10  179.427  2401.50  222.075  2815.11  304.504  125.277   5.8078  135.326   7.4002 -10.04891 9.407089 
1 1 1    9   19   20 f  111.021   3.5345  1882.90  119.771  1814.89  136.507  2110.38  249.645  108.979   4.1039  117.160   7.0134 -8.180466 8.125871 
1 1 1    9   19   21 o   98.664   3.6516  1487.18  109.965  1618.74  169.822  1392.18  144.303  102.727   5.4355   95.288   4.9789 7.438797 7.371158 
1 1 1    9   19   22 o   30.374   7.0324  147.019   63.911  143.768   65.448  213.811  296.647   30.033   7.2272   43.294   16.378 -13.26099 17.90130 
1 1 1    9   19   23 o  171.494   4.2062  4494.76  220.169  4463.02  231.411  4797.87  715.087  170.874   4.4370  175.537   13.449 -4.663177 14.16200 
1 1 1    9   19   24 o   32.532   10.647  156.594  121.835  246.552  166.283   52.327  179.021   39.995   12.366   30.145   12.305 9.850817 17.44476 
1 1 1    9   19   25 o  181.556   4.8502  5040.37  268.772  4927.74  330.330  5260.99  462.317  179.419   6.0320  185.151   8.1808 -5.731598 10.16418 
1 1 1    9   19   26 o  372.456   8.2590 21294.67  938.900 22347.96  1899.03 20953.90  1080.15  378.309   16.446  369.091   9.5881 9.217529 19.03712 
1 1 1    9   19   27 o  240.741   5.9822  8872.66  439.566  8950.33  520.157  8678.64  822.133  241.644   7.0525  237.124   11.359 4.519760 13.37048 
1 1 1    9   19   28 o  399.006   12.403 24636.65  1510.55 24089.00  3029.23 24817.89  1742.68  384.985   25.930  399.570   14.289 -14.58517 29.60680 
1 1 1    9   19   29 o  182.820   5.4306  5114.94  303.030  4884.04  350.261  5802.11  604.242  178.547   6.4272  193.763   10.253 -15.21634 12.10137 
1 1 1    9   19   30 o   85.470   8.8926  1135.33  228.588  1225.03  806.543  1127.50  238.362   86.439   27.314   85.095   9.3304 1.344147 28.86387 
1 1 1    9   19   31 o  251.823   7.9876  9741.10  613.945  9741.10  613.945   0.0000   0.0000  251.823   7.9876  ?   ?  0.000000 7.987612 
1 1 1    9   19   32 o   68.131   7.2421  720.294  148.291  821.157  187.890  553.681  241.486   72.560   8.6546   58.500   13.756 14.06029 16.25178 
1 1 1    9   19   33 o   85.910   3.3684  1127.80   88.325  1011.08  120.083  1265.37  130.372   81.142   4.8712   90.821   4.7193 -9.679810 6.782368 
1 1 1    9   19   34 o  231.046   3.5767  8159.23  252.231  8299.29  363.958  8029.80  349.875  232.834   5.1214  229.039   5.0048 3.795212 7.160779 
1 1 1    9   19   35 o   92.435   3.2134  1305.65   90.659  1264.27  122.617  1355.55  134.647   90.905   4.4192   94.115   4.6873 -3.209877 6.442097 
1 1 1    9   19   36 f  103.652   4.7656  1644.69  150.770  1602.79  171.457  1787.56  316.617  102.122   5.5212  107.101   9.7939 -4.979004 11.24298 
1 1 1    9   19   37 o  131.069   3.6534  2626.82  146.156  2671.20  220.882  2592.25  194.934  132.011   5.4819  130.101   4.9090 1.909134 7.358638 
1 1 1    9   19   38 o   39.840   7.8412  252.915   91.954  209.592  104.098  406.769  196.172   36.140   9.3619   50.041   12.794 -13.90141 15.85360 
1 1 1    9   19   39 o   51.933   5.7222  418.854   89.198  416.934   95.521  431.930  249.305   51.740   6.1704   51.611   14.958 0.1287766 16.18095 
1 1 1    9   19   40 o  122.117   5.0216  2286.67  187.169  2269.54  227.517  2322.53  329.216  121.360   6.1624  122.146   8.8915 -0.7850647 10.81823 
1 1 1    9   19   41 o  128.163   4.5126  2517.41  176.524  2584.30  208.321  2347.06  332.431  129.756   5.2600  122.685   8.9391 7.071243 10.37184 
1 1 1    9   19   42 o  143.330   4.8575  3152.25  212.503   0.0000   0.0000  3152.25  212.503  ?   ?   143.330   4.8575 0.000000 4.857489 
1 1 1    9   19   43 o   39.783   5.5772  248.079   65.862   0.0000   0.0000  248.079   65.862  ?   ?    39.783   5.5772 0.000000 5.577242 
1 1 1    9   19   44 o   79.542   4.5918  974.412  111.006   0.0000   0.0000  974.412  111.006  ?   ?    79.542   4.5918 0.000000 4.591829 
1 1 1    9   19   45 o   65.235   4.1618  655.471   82.435  785.510  173.726  617.682   93.650   70.578   8.2184   63.205   4.8925 7.372883 9.564477 
1 1 1    9   19   46 f  113.293   9.2647  2026.03  317.568   0.0000   0.0000  2026.03  317.568  ?   ?   113.293   9.2647 0.000000 9.264732 
1 1 1    9   20    1 f  210.093   15.268  6890.01  972.355  6890.01  972.355   0.0000   0.0000  210.093   15.268  ?   ?  0.000000 15.26771 
1 1 1    9   20    2 o  164.217   13.593  4200.82  675.204  4200.82  675.204   0.0000   0.0000  164.217   13.593  ?   ?  0.000000 13.59325 
1 1 1    9   20    3 o   61.808   5.0526  588.031   94.485  588.031   94.485   0.0000   0.0000   61.808   5.0526  ?   ?  0.000000 5.052595 
1 1 1    9   20    4 o  125.704   4.7907  2415.74  183.810  2150.58  210.343  3272.36  378.068  118.556   5.8129  145.780   8.5340 -27.22418 10.32563 
1 1 1    9   20    5 o  225.030   6.9802  7756.99  479.428  7756.99  479.428   0.0000   0.0000  225.030   6.9802  ?   ?  0.000000 6.980165 
1 1 1    9   20    6 o  116.410   13.294  2122.31  463.891  2122.31  463.891   0.0000   0.0000  116.410   13.294  ?   ?  0.000000 13.29434 
1 1 1    9   20    7 o  233.473   11.297  8401.01  805.046  7263.73  1129.63  9574.74  1147.59  215.020   17.360  247.815   15.246 -32.79417 23.10463 
1 1 1    9   20    8 o  198.897   8.1014  6068.09  491.821  5275.47  850.835  6465.84  602.719  183.655   15.318  205.097   9.6280 -21.44254 18.09269 
1 1 1    9   20    9 o  174.068   5.0253  4633.22  266.995  4717.57  310.196  4392.08  524.484  175.589   5.7879  168.653   10.237 6.936035 11.76007 
1 1 1    9   20   10 o  178.911   5.8188  4897.92  317.750  4738.63  348.275  5689.00  776.138  175.921   6.4862  191.289   13.377 -15.36783 14.86700 
1 1 1    9   20   11 o  340.496   15.211 18016.08  1580.89 18023.90  2244.79 18008.38  2226.74  336.684   21.965  336.648   21.788 0.3616333E-01 30.93769 
1 1 1    9   20   12 o  251.429   11.950  9756.50  917.034  9770.46  1302.75  9742.78  1291.10  249.569   17.207  249.266   17.073 0.3028564 24.23988 
1 1 1    9   20   13 o  181.504   5.0021  5037.56  277.110  5188.05  326.439  4649.40  524.258  184.131   5.8084  173.587   9.9361 10.54417 11.50933 
1 1 1    9   20   14 o  357.649   8.8677 19643.43  968.023 19162.48  1153.45 20789.09  1780.23  352.739   10.713  365.389   15.963 -12.64996 19.22455 
1 1 1    9   20   15 o  143.078   8.9791  3156.43  390.135   0.0000   0.0000  3156.43  390.135  ?   ?   143.078   8.9791 0.000000 8.979091 
1 1 1    9   20   16 o  350.545   12.806 18999.51  1370.12   0.0000   0.0000 18999.51  1370.12  ?   ?   350.545   12.806 0.000000 12.80550 
1 1 1    9   20   17 o  165.852   4.9181  4206.06  248.966  4208.04  292.890  4200.91  472.664  165.829   5.7866  165.060   9.4210 0.7697449 11.05628 
1 1 1    9   20   18 o   62.208   4.8055  595.201   90.536  543.706  342.930  599.059   93.867   58.649   17.686   62.394   4.9702 -3.745022 18.37151 
1 1 1    9   20   19 o  260.496   6.6109 10392.95  525.628 10354.17  624.610 10487.04  973.003  259.816   7.8764  260.550   12.235 -0.7341614 14.55110 
1 1 1    9   20   20 o  130.879   4.1205  2617.79  164.602  2391.48  182.986  3577.34  376.797  125.063   4.7937  152.475   8.1257 -27.41262 9.434318 
1 1 1    9   20   21 o  290.842   5.4654 12941.61  485.174 13704.46  697.882 12228.03  674.971  298.933   7.6488  282.339   7.8325 16.59485 10.94764 
1 1 1    9   20   22 o  261.009   5.1659 10420.43  411.547 10363.36  453.394 10687.47  980.785  260.228   5.7083  262.963   12.220 -2.735107 13.48727 
1 1 1    9   20   23 o  257.797   6.2368 10176.83  490.744 10565.28  535.416  8136.03  1227.22  262.606   6.6799  227.121   17.847 35.48488 19.05590 
1 1 1    9   20   24 o  149.721   3.8492  3425.51  175.900  3540.31  186.116  2465.07  538.326  152.201   4.0064  125.175   14.349 27.02537 14.89795 
1 1 1    9   20   25 o  149.553   5.1366  3421.60  234.470  3405.18  256.110  3506.59  582.808  149.158   5.6255  149.922   12.861 -0.7643127 14.03730 
1 1 1    9   20   26 o   45.930   6.6452  329.914   90.450  321.776   92.373  519.348  445.672   45.307   6.8975   59.378   20.378 -14.07098 21.51344 
1 1 1    9   20   27 o  345.188   7.5609 18286.37  796.611 18765.36  925.834 16920.73  1563.28  349.369   8.6822  329.090   15.563 20.27899 17.82133 
1 1 1    9   20   28 o  235.514   8.6698  8529.75  623.223  8167.60  927.028  8828.42  841.857  228.911   13.326  238.900   11.545 -9.989304 17.63153 
1 1 1    9   20   29 o  180.433   5.4380  4984.04  299.484  6856.54  1144.51  4846.40  310.296  207.604   18.247  177.895   5.7147 29.70930 19.12118 
1 1 1    9   20   30 o  225.053   9.4877  7807.04  651.723  8865.18  1306.61  7456.59  751.940  236.040   18.279  219.219   11.276 16.82080 21.47691 
1 1 1    9   20   31 o  196.562   4.4592  5910.13  267.533  6725.75  404.522  5276.04  356.677  209.441   6.3280  185.505   6.2995 23.93639 8.928951 
1 1 1    9   20   32 o   84.475   5.8570  1098.83  150.082  1250.19  204.088  920.599  221.471   89.891   7.5072   76.639   9.6839 13.25133 12.25302 
1 1 1    9   20   33 o  224.853   11.115  7840.60  762.795   0.0000   0.0000  7840.60  762.795  ?   ?   224.853   11.115 0.000000 11.11456 
1 1 1    9   20   34 o   28.136   7.1364  126.361   61.379   0.0000   0.0000  126.361   61.379  ?   ?    28.136   7.1364 0.000000 7.136427 
1 1 1    9   20   35 o  322.020   6.9846 15940.49  686.496 16515.63  876.700 15028.87  1103.76  327.092   8.7814  310.688   11.639 16.40430 14.58044 
1 1 1    9   20   36 o  114.793   7.6140  2038.42  265.262  1732.82  560.800  2126.50  301.072  102.386   18.632  117.071   8.4832 -14.68408 20.47197 
1 1 1    9   20   37 o  193.053   5.4842  5717.62  323.155  5792.05  352.366  5323.67  810.608  194.217   5.9441  182.861   14.646 11.35661 15.80671 
1 1 1    9   20   38 o  332.927   12.532 17421.40  1273.50 17571.19  1584.56 17148.14  2140.18  331.671   15.653  320.183   22.034 11.48755 27.02752 
1 1 1    9   20   39 o  103.128   3.8810  1628.19  122.161  1621.03  136.970  1656.03  270.103  102.858   4.3629  103.014   8.6711 -0.1559219 9.706819 
1 1 1    9   20   40 o  154.828   5.1570  3680.80  243.704   0.0000   0.0000  3680.80  243.704  ?   ?   154.828   5.1570 0.000000 5.156980 
1 1 1    9   20   41 o   97.644   3.2675  1458.98   97.382   0.0000   0.0000  1458.98   97.382  ?   ?    97.644   3.2675 0.000000 3.267519 
1 1 1    9   20   42 o  106.312   3.3187  1730.09  107.689   0.0000   0.0000  1730.09  107.689  ?   ?   106.312   3.3187 0.000000 3.318745 
1 1 1    9   20   43 o   72.642   4.3170  812.630   95.287  1136.36  731.986  807.050   96.104   78.103   26.120   72.383   4.3705 5.720215 26.48346 
1 1 1    9   20   44 o   96.064   3.4073  1413.64   99.906   0.0000   0.0000  1413.64   99.906  ?   ?    96.064   3.4073 0.000000 3.407349 
1 1 1    9   21    0 o  371.451   23.685 21737.94  2660.31 21737.94  2660.31 21737.94  2660.31  371.451   23.685  371.451   23.685 0.000000 0.000000 
1 1 1    9   21    1 o  372.737   16.372 21660.69  1862.64 23293.97  2636.60 20033.41  2631.75  382.240   22.701  353.094   24.573 29.14545 33.45375 
1 1 1    9   21    2 o  195.182   4.8524  5824.92  289.075  6413.65  316.274  2836.92  712.517  204.791   5.0598  133.525   17.937 71.26659 18.63663 
1 1 1    9   21    3 o  173.521   5.9146  4608.03  313.254  4608.03  313.254   0.0000   0.0000  173.521   5.9146  ?   ?  0.000000 5.914618 
1 1 1    9   21    4 f  315.864   9.1241 15328.36  879.643 15328.36  879.643   0.0000   0.0000  315.864   9.1241  ?   ?  0.000000 9.124091 
1 1 1    9   21    5 o  324.900   21.288 16762.68  2099.41 16762.68  2099.41   0.0000   0.0000  324.900   21.288  ?   ?  0.000000 21.28814 
1 1 1    9   21    6 o  164.042   13.963  4200.19  692.492  4200.19  692.492   0.0000   0.0000  164.042   13.963  ?   ?  0.000000 13.96346 
1 1 1    9   21    7 o  334.098   21.832 17758.41  2214.10 17758.41  2214.10   0.0000   0.0000  334.098   21.832  ?   ?  0.000000 21.83239 
1 1 1    9   21    8 o  346.824   9.3016 18486.05  984.652 18129.89  1082.91 20185.84  2365.76  343.186   10.338  356.254   21.862 -13.06778 24.18352 
1 1 1    9   21    9 o  311.389   8.3324 14881.11  791.934 14754.67  870.791 15485.88  1904.46  309.871   9.2069  312.903   20.046 -3.031677 22.05958 
1 1 1    9   21   10 o  394.202   9.0257 23872.31  1085.97 23151.06  1292.23 25606.31  2003.66  387.609   10.923  405.316   16.196 -17.70673 19.53517 
1 1 1    9   21   11 o   75.180   10.618  887.199  236.868  1063.83  394.482  787.609  296.211   81.203   16.479   70.024   14.342 11.17944 21.84602 
1 1 1    9   21   12 o  181.224   5.4355  5024.19  300.656  4794.07  350.279  5668.18  585.969  176.934   6.4861  191.673   10.051 -14.73836 11.96222 
1 1 1    9   21   13 o  120.073   9.5863  2230.71  348.398   0.0000   0.0000  2230.71  348.398  ?   ?   120.073   9.5863 0.000000 9.586254 
1 1 1    9   21   14 o   98.386   9.7936  1503.33  290.188   0.0000   0.0000  1503.33  290.188  ?   ?    98.386   9.7936 0.000000 9.793566 
1 1 1    9   21   15 o  259.626   9.8439 10370.06  780.067 11383.45  1353.50  9866.04  954.543  269.586   16.529  252.650   12.378 16.93584 20.65013 
1 1 1    9   21   16 o  231.158   5.7805  8177.62  407.842  8447.02  483.190  7510.16  760.550  234.817   6.7417  220.361   11.346 14.45535 13.19805 
1 1 1    9   21   17 o  290.187   9.4363 12948.91  835.792 11958.71  1663.86 13283.08  966.590  274.631   19.987  293.568   10.787 -18.93658 22.71195 
1 1 1    9   21   18 o   46.492   5.3025  334.938   73.898  346.862   83.107  289.900  161.514   47.241   5.8918   42.713   11.930 4.527916 13.30572 
1 1 1    9   21   19 f  141.802   4.4102  3073.94  190.879  2949.89  234.993  3314.50  327.253  138.842   5.5452  147.028   7.2923 -8.185806 9.161161 
1 1 1    9   21   20 f  278.909   5.4126 11902.96  460.769 13064.13  578.745  9892.76  761.479  292.029   6.4930  253.504   9.8414 38.52519 11.79032 
1 1 1    9   21   21 o   94.560   3.1979  1365.87   92.298  1497.00  121.932  1189.92  141.245   98.967   4.0365   88.031   5.2812 10.93636 6.647160 
1 1 1    9   21   22 o  188.499   4.5478  5433.11  261.655  5433.11  261.655   0.0000   0.0000  188.499   4.5478  ?   ?  0.000000 4.547834 
1 1 1    9   21   23 o  210.673   6.6445  6802.34  427.253  6802.34  427.253   0.0000   0.0000  210.673   6.6445  ?   ?  0.000000 6.644465 
1 1 1    9   21   24 o   77.203   4.4619  914.439  104.691  914.439  104.691   0.0000   0.0000   77.203   4.4619  ?   ?  0.000000 4.461881 
1 1 1    9   21   25 f  232.191   6.2598  8261.05  443.633  8282.74  483.982  8147.04  1109.82  232.407   6.8228  227.501   16.086 4.906555 17.47356 
1 1 1    9   21   26 o  406.570   7.1464 25364.94  886.824 25706.38  932.921 22163.76  2856.54  409.194   7.4696  367.643   25.616 41.55072 26.68333 
1 1 1    9   21   27 o  178.846   4.9962  4895.05  272.733  5414.01  369.421  4273.33  404.346  187.915   6.4409  166.748   7.9447 21.16638 10.22753 
1 1 1    9   21   28 o   75.583   8.9436  891.916  202.326  1224.19  956.439  876.351  207.010   86.998   29.853   74.853   9.2583 12.14573 31.25522 
1 1 1    9   21   29 f   57.256   5.1547  505.951   89.116  506.523  101.708  504.061  184.898   57.187   5.9123   56.085   11.193 1.101768 12.65873 
1 1 1    9   21   30 o  139.284   4.4752  2968.32  190.251  3806.13  513.132  2834.80  204.852  156.390   10.816  136.077   4.9321 20.31235 11.88777 
1 1 1    9   21   31 o  319.722   5.2732 15659.59  514.598 16375.41  895.025 15306.11  628.950  325.770   9.0013  315.776   6.5256 9.994476 11.11789 
1 1 1    9   21   32 o  154.428   4.7743  3651.54  225.036  4530.17  675.839  3541.98  238.654  169.702   13.151  152.054   5.1423 17.64857 14.12016 
1 1 1    9   21   33 o  235.567   4.1551  8491.36  298.752  8735.73  522.228  8372.48  364.242  238.302   7.1799  233.753   5.1052 4.548477 8.809862 
1 1 1    9   21   34 o  183.223   4.1021  5137.64  229.403  5358.22  344.563  4962.01  307.449  186.810   6.0430  179.847   5.6008 6.962738 8.239355 
1 1 1    9   21   35 o  372.244   5.9185 21280.09  672.441 22143.91  826.844 19592.80  1155.60  379.182   7.1443  354.687   10.674 24.49475 12.84463 
1 1 1    9   21   36 o  109.831   4.4536  1848.09  149.298  1633.79  425.084  1878.24  159.456  100.617   14.239  110.697   4.7194 -10.07983 15.00088 
1 1 1    9   21   37 o   52.452   3.0168  422.071   48.093  462.493  114.725  413.453   52.973   54.314   7.0894   51.879   3.3635 2.435474 7.846850 
1 1 1    9   21   38 o  100.683   4.0165  1552.90  123.430  1324.58  498.635  1567.81  127.395   88.035   19.106  101.155   4.1262 -13.11978 19.54619 
1 1 1    9   21   39 o   60.042   4.7333  556.721   86.040   0.0000   0.0000  556.721   86.040  ?   ?    60.042   4.7333 0.000000 4.733268 
1 1 1    9   21   40 o   78.198   4.2599  940.678  101.291   0.0000   0.0000  940.678  101.291  ?   ?    78.198   4.2599 0.000000 4.259888 
1 1 1    9   21   41 o  212.447   8.6087  7042.25  558.216   0.0000   0.0000  7042.25  558.216  ?   ?   212.447   8.6087 0.000000 8.608657 
1 1 1    9   21   42 o   64.566   8.6026  662.053  165.312   0.0000   0.0000  662.053  165.312  ?   ?    64.566   8.6026 0.000000 8.602571 
1 1 1    9   22    0 o   31.499   17.881  200.689  266.542  200.689  266.542  200.689  266.542   31.499   17.881   31.499   17.881 0.000000 0.000000 
1 1 1    9   22    1 o   44.696   16.094  264.154  280.361  264.154  280.361   0.0000   0.0000   44.696   16.094  ?   ?  0.000000 16.09362 
1 1 1    9   22    2 o  312.650   20.602 15506.53  1954.97 15506.53  1954.97   0.0000   0.0000  312.650   20.602  ?   ?  0.000000 20.60178 
1 1 1    9   22    3 o  169.122   5.8565  4377.58  302.313  4377.58  302.313   0.0000   0.0000  169.122   5.8565  ?   ?  0.000000 5.856510 
1 1 1    9   22    4 o  150.461   5.5260  3463.72  253.776  3463.72  253.776   0.0000   0.0000  150.461   5.5260  ?   ?  0.000000 5.526004 
1 1 1    9   22    5 o  272.792   12.778 11512.36  1063.93 11396.88  1508.74 11626.58  1500.55  268.858   18.498  271.703   18.199 -2.845795 25.94982 
1 1 1    9   22    6 o  130.700   9.2621  2638.71  367.095  3309.74  536.075  2046.21  503.736  145.875   12.151  113.833   14.852 32.04192 19.18921 
1 1 1    9   22    7 o   77.049   16.594  960.961  378.704  960.961  378.704   0.0000   0.0000   77.049   16.594  ?   ?  0.000000 16.59377 
1 1 1    9   22    8 o  164.515   5.5422  4141.24  278.295  3969.11  297.272  5361.75  791.586  161.020   6.0486  185.374   14.096 -24.35384 15.33902 
1 1 1    9   22    9 o  307.259   8.2792 14492.00  776.447 14135.97  849.893 16288.94  1909.36  303.259   9.1819  320.956   19.584 -17.69705 21.62988 
1 1 1    9   22   10 o  219.003   17.078  7544.59  1132.55   0.0000   0.0000  7544.59  1132.55  ?   ?   219.003   17.078 0.000000 17.07793 
1 1 1    9   22   11 o  237.807   17.773  8911.76  1280.70   0.0000   0.0000  8911.76  1280.70  ?   ?   237.807   17.773 0.000000 17.77281 
1 1 1    9   22   12 o  210.498   17.048  6975.51  1085.89   0.0000   0.0000  6975.51  1085.89  ?   ?   210.498   17.048 0.000000 17.04778 
1 1 1    9   22   13 f  156.498   4.5513  3744.52  217.398  4042.86  249.597  2806.81  442.508  162.579   5.0299  134.490   10.873 28.08928 11.97993 
1 1 1    9   22   14 o  251.927   9.9474  9771.62  764.891  8734.57  1328.45 10285.93  935.524  234.923   18.681  257.989   11.881 -23.06677 22.13898 
1 1 1    9   22   15 o  333.475   7.9249 17068.08  806.633 17035.49  958.974 17146.94  1491.51  332.761   9.4419  331.945   14.721 0.8155518 17.48892 
1 1 1    9   22   16 f   76.088   4.0264  887.306   93.175  973.397  103.857  532.182  210.934   79.682   4.2861   57.575   12.372 22.10687 13.09317 
1 1 1    9   22   17 o  120.869   7.3133  2248.83  268.530  2272.48  480.934  2238.11  323.685  120.330   13.318  120.336   8.8754 -0.5676270E-02 16.00441 
1 1 1    9   22   18 f  148.382   4.5594  3366.81  206.493  3454.58  241.021  3124.61  400.380  150.255   5.2554  142.207   9.2751 8.048141 10.66055 
1 1 1    9   22   19 o  177.268   4.8898  4806.92  264.567  4939.46  311.214  4461.51  502.406  179.622   5.6765  169.921   9.7274 9.700302 11.26257 
1 1 1    9   22   20 o  130.329   8.8574  2624.50  350.251  2694.49  533.852  2571.60  464.100  131.008   13.546  128.348   11.986 2.659851 18.08752 
1 1 1    9   22   21 o  284.678   6.1717 12416.75  536.262 13061.28  626.549 10651.28  1036.97  291.801   7.0348  261.907   12.972 29.89420 14.75661 
1 1 1    9   22   22 o  200.954   4.5468  6176.47  278.882  6055.06  308.967  6710.40  647.926  198.913   5.0890  208.538   10.179 -9.624191 11.38062 
1 1 1    9   22   23 o  161.887   4.8767  4010.09  240.968  4415.27  291.642  3138.39  427.772  169.795   5.6274  142.298   9.9110 27.49727 11.39717 
1 1 1    9   22   24 o  375.384   6.7369 21617.10  771.889 21900.54  812.253 18976.00  2479.42  377.746   7.0449  340.860   23.985 36.88574 24.99794 
1 1 1    9   22   25 o  129.591   5.3896  2571.81  213.181  2777.80  284.172  2306.67  322.400  134.349   6.9537  122.088   8.7089 12.26146 11.14446 
1 1 1    9   22   26 o  154.504   3.9756  3650.24  187.483  4142.58  330.587  3416.81  227.629  164.311   6.5918  149.397   4.9919 14.91396 8.268647 
1 1 1    9   22   27 o   38.346   6.1871  231.172   69.950  236.191   78.239  211.178  156.155   38.652   6.8843   37.327   12.042 1.324471 13.87131 
1 1 1    9   22   28 o  100.566   3.2323  1545.66   99.217  1743.96  153.259  1402.58  130.177  106.737   4.7043   95.737   4.4549 11.00044 6.478923 
1 1 1    9   22   29 o  188.101   5.0467  5419.68  289.747  5624.41  344.072  4920.49  537.262  191.494   5.8868  178.026   9.9270 13.46782 11.54119 
1 1 1    9   22   30 o   85.901   8.8512  1151.29  228.746  1262.31  410.549  1101.31  275.466   88.058   15.858   83.476   11.086 4.581543 19.34877 
1 1 1    9   22   31 o   80.473   3.6438  990.445   89.500  879.029  129.823  1091.36  123.554   75.485   5.6763   84.268   4.8237 -8.783119 7.449108 
1 1 1    9   22   32 o  121.198   6.2439  2262.95  230.193  2495.94  445.647  2178.16  268.834  125.865   11.736  118.661   7.4607 7.204292 13.90632 
1 1 1    9   22   33 f   61.170   4.4194  576.107   81.958  608.751   89.246  400.364  207.073   62.855   4.6856   49.543   13.380 13.31148 14.17630 
1 1 1    9   22   34 o  154.450   5.1109  3660.04  240.937  3584.88  284.851  3849.02  451.666  152.680   6.1125  157.103   9.4634 -4.422653 11.26581 
1 1 1    9   22   35 o   30.121   7.3637  145.664   67.131  164.065   72.984   44.555  171.084   31.952   7.5952   28.936   11.944 3.016384 14.15478 
1 1 1    9   22   36 o  289.988   5.2348 12919.32  463.337 14441.15  734.629 11914.05  597.069  305.310   7.8833  277.732   7.0434 27.57880 10.57149 
1 1 1    9   22   37 o   27.584   10.885   70.848  135.194   0.0000   0.0000   70.848  135.194  ?   ?    27.584   10.885 0.000000 10.88511 
1 1 1    9   22   38 o  306.996   7.1791 14595.75  672.698   0.0000   0.0000 14595.75  672.698  ?   ?   306.996   7.1791 0.000000 7.179095 
1 1 1    9   22   39 o  130.820   3.6121  2622.30  144.227  2946.72  265.392  2486.33  171.814  138.113   6.2956  127.256   4.4235 10.85696 7.694280 
1 1 1    9   22   40 o   95.490   9.5817  1446.77  275.500   0.0000   0.0000  1446.77  275.500  ?   ?    95.490   9.5817 0.000000 9.581748 
1 1 1    9   23    3 o  312.578   8.1856 15001.29  780.953 14665.79  1892.25 15070.17  857.378  303.645   20.538  313.105   8.9715 -9.460663 22.41189 
1 1 1    9   23    4 o  178.187   4.2375  4853.39  230.462  5335.30  326.901  4377.21  324.954  186.697   5.7367  169.054   6.2977 17.64357 8.518817 
1 1 1    9   23    5 o  266.952   5.6186 10906.87  457.805 10799.49  648.263 11013.70  646.608  265.242   8.0074  267.879   7.9083 -2.636810 11.25434 
1 1 1    9   23    6 o  164.000   5.4406  4115.76  272.339  4898.92  714.365  3982.58  294.586  177.260   13.301  161.279   5.9844 15.98155 14.58482 
1 1 1    9   23    7 o  239.642   16.774  9031.88  1219.22   0.0000   0.0000  9031.88  1219.22  ?   ?   239.642   16.774 0.000000 16.77445 
1 1 1    9   23    8 o  214.806   15.311  7228.96  997.273   0.0000   0.0000  7228.96  997.273  ?   ?   214.806   15.311 0.000000 15.31099 
1 1 1    9   23    9 o  117.293   10.325  2136.46  365.857   0.0000   0.0000  2136.46  365.857  ?   ?   117.293   10.325 0.000000 10.32451 
1 1 1    9   23   10 o   55.650   15.991  495.607  286.030   0.0000   0.0000  495.607  286.030  ?   ?    55.650   15.991 0.000000 15.99138 
1 1 1    9   23   11 o  293.819   13.609 13409.06  1220.47 13200.49  1737.69 13612.10  1714.54  288.082   19.884  292.906   19.286 -4.823914 27.70058 
1 1 1    9   23   12 o   38.858   7.2214  238.971   82.496  264.924   87.458   29.519  248.454   40.959   7.2616   33.840   14.213 7.118908 15.96063 
1 1 1    9   23   13 o  170.006   5.4976  4423.98  285.268  4400.08  302.805  4612.55  850.588  169.513   5.8525  170.831   16.519 -1.318573 17.52533 
1 1 1    9   23   14 o  275.598   12.665 11778.47  1065.34 10617.79  1467.46 13071.87  1549.09  258.649   18.715  287.661   17.730 -29.01288 25.77942 
1 1 1    9   23   15 o  123.000   10.074  2347.96  374.898  2164.98  475.530  2648.47  609.404  117.277   13.533  129.214   15.780 -11.93685 20.78794 
1 1 1    9   23   16 o   95.722   4.5811  1401.41  133.844  1443.15  138.403  798.921  525.837   97.133   4.6683   70.538   22.020 26.59507 22.50954 
1 1 1    9   23   17 o  149.976   9.9754  3484.08  454.031  3002.52  599.562  4131.50  695.193  138.029   14.445  162.217   14.183 -24.18820 20.24445 
1 1 1    9   23   18 o   93.671   4.6799  1342.27  133.799  1372.42  138.471  918.080  519.464   94.589   4.8122   74.720   21.574 19.86898 22.10382 
1 1 1    9   23   19 o  253.316   6.9012  9845.71  533.585  9984.30  583.603  9139.57  1317.33  254.970   7.4991  239.691   18.141 15.27882 19.62968 
1 1 1    9   23   20 o  232.061   11.508  8345.38  815.097  8260.67  1162.65  8427.25  1143.04  228.373   16.798  230.907   16.324 -2.533981 23.42261 
1 1 1    9   23   21 o  104.579   3.9259  1672.17  125.314  1885.32  140.889  864.872  274.193  111.032   4.1573   73.589   12.664 37.44236 13.32910 
1 1 1    9   23   22 o   14.173   6.5384 -52.7194   65.875 -66.6388   70.154   51.036  191.536   14.179   6.6115   30.853   12.676 -16.67372 14.29637 
1 1 1    9   23   23 o   76.288   9.0198  909.646  205.962  1477.25  959.720  882.242  210.876   92.941   29.841   75.035   9.4149 17.90548 31.29079 
1 1 1    9   23   24 o  108.005   4.4495  1784.99  146.681   0.0000   0.0000  1784.99  146.681  ?   ?   108.005   4.4495 0.000000 4.449536 
1 1 1    9   23   25 o  209.539   10.637  6824.66  678.091   0.0000   0.0000  6824.66  678.091  ?   ?   209.539   10.637 0.000000 10.63734 
1 1 1    9   23   26 o  201.003   5.4169  6192.80  332.332  6280.54  394.534  5978.48  616.635  202.250   6.3912  196.111   10.338 6.138596 12.15424 
1 1 1    9   23   27 f   25.444   8.1555   97.470   71.707   90.925   76.833  141.675  199.677   25.111   8.4622   35.295   13.416 -10.18408 15.86213 
1 1 1    9   23   28 o  163.733   4.0018  4102.18  199.992  4124.35  219.918  3996.18  480.830  164.131   4.3899  160.234   9.8797 3.896729 10.81108 
1 1 1    9   23   29 o  233.415   4.3154  8342.05  307.446  8573.71  354.085  7632.33  619.770  236.520   4.9048  221.995   9.1468 14.52521 10.37890 
1 1 1    9   23   30 o   97.404   3.5732  1451.40  106.230  1654.35  213.757  1384.84  122.416  103.446   6.8081   95.099   4.2174 8.346336 8.008548 
1 1 1    9   23   31 o   82.425   4.3900  1043.82  110.046  985.901  130.882  1183.53  203.281   79.960   5.3943   87.207   7.7167 -7.247322 9.415204 
1 1 1    9   23   32 o  264.994   8.9553 10905.82  724.322 11487.05  1060.60 10397.78  991.569  269.467   12.895  256.534   12.664 12.93320 18.07367 
1 1 1    9   23   33 o   94.187   4.0771  1359.22  117.207  1456.39  134.066  1044.09  241.427   97.453   4.5072   81.198   9.9496 16.25504 10.92291 
1 1 1    9   23   34 o  207.479   5.0182  6612.21  317.792  6848.31  398.634  6200.53  526.395  210.795   6.1958  199.657   8.6379 11.13795 10.63025 
1 1 1    9   23   35 o   85.489   3.2255  1118.57   84.163  1023.66  135.491  1178.20  107.396   81.380   5.4868   87.669   4.0135 -6.289177 6.798036 
1 1 1    9   23   36 o   89.254   7.3102  1242.99  197.401   0.0000   0.0000  1242.99  197.401  ?   ?    89.254   7.3102 0.000000 7.310239 
1 1 1    9   23   37 o  131.592   9.0816  2724.30  362.529   0.0000   0.0000  2724.30  362.529  ?   ?   131.592   9.0816 0.000000 9.081600 
1 1 1    9   23   38 o  117.159   3.3362  2102.75  119.301   0.0000   0.0000  2102.75  119.301  ?   ?   117.159   3.3362 0.000000 3.336208 
1 1 1    9   24    1 f  139.167   12.385  3024.18  520.594   0.0000   0.0000  3024.18  520.594  ?   ?   139.167   12.385 0.000000 12.38541 
1 1 1    9   24    2 o   88.060   14.298  1236.92  371.112   0.0000   0.0000  1236.92  371.112  ?   ?    88.060   14.298 0.000000 14.29773 
1 1 1    9   24    3 o  273.374   18.591 11855.18  1542.05   0.0000   0.0000 11855.18  1542.05  ?   ?   273.374   18.591 0.000000 18.59140 
1 1 1    9   24    4 o  310.855   20.696 15452.05  1952.43   0.0000   0.0000 15452.05  1952.43  ?   ?   310.855   20.696 0.000000 20.69622 
1 1 1    9   24    5 o  227.029   16.337  8120.13  1124.46   0.0000   0.0000  8120.13  1124.46  ?   ?   227.029   16.337 0.000000 16.33654 
1 1 1    9   24    6 f  208.016   15.475  6801.96  975.489   0.0000   0.0000  6801.96  975.489  ?   ?   208.016   15.475 0.000000 15.47490 
1 1 1    9   24    7 o  170.943   14.080  4580.79  728.116   0.0000   0.0000  4580.79  728.116  ?   ?   170.943   14.080 0.000000 14.08035 
1 1 1    9   24    8 o   42.102   14.350  256.299  220.968  430.576  350.994  141.880  284.400   53.704   18.087   39.841   15.767 13.86280 23.99434 
1 1 1    9   24    9 o  191.993   5.4242  5643.18  317.861  5856.02  347.911  4568.30  781.842  195.533   5.8295  170.295   15.202 25.23729 16.28103 
1 1 1    9   24   10 o   61.416   4.6858  580.354   87.176  555.124   92.231  791.776  266.993   60.014   5.0828   70.343   12.911 -10.32863 13.87568 
1 1 1    9   24   11 o  242.380   9.5691  9056.09  707.922  8446.68  1198.10  9382.98  877.482  230.990   17.115  246.114   11.681 -15.12390 20.72148 
1 1 1    9   24   12 o   56.277   10.138  503.394  167.740  640.740  277.309  424.145  210.645   62.819   14.720   51.267   13.335 11.55268 19.86233 
1 1 1    9   24   13 o  119.720   4.4772  2192.38  163.602  2217.94  179.095  2063.54  402.121  120.391   4.8739  114.838   11.633 5.553139 12.61267 
1 1 1    9   24   14 o   75.030   10.344  885.536  230.591   0.0000   0.0000  885.536  230.591  ?   ?    75.030   10.344 0.000000 10.34419 
1 1 1    9   24   15 o  386.991   11.357 23206.97  1341.44 22412.93  2664.84 23476.46  1552.49  370.418   23.694  388.260   13.101 -17.84207 27.07474 
1 1 1    9   24   16 o  141.105   4.4760  3046.03  192.774  3197.25  211.132  2288.14  472.659  144.540   4.7857  120.537   13.056 24.00298 13.90544 
1 1 1    9   24   17 o  216.351   5.9917  7175.66  395.666  7294.53  434.934  6605.10  952.875  218.043   6.5353  204.496   15.379 13.54732 16.70992 
1 1 1    9   24   18 o   98.704   8.8318  1513.41  263.259  1570.03  411.262  1474.11  342.664   99.290   13.956   96.723   11.855 2.567261 18.31143 
1 1 1    9   24   19 o  143.046   4.6440  3131.77  202.760  3333.34  226.197  2307.45  457.420  147.542   5.0229  121.084   12.560 26.45795 13.52677 
1 1 1    9   24   20 o  107.341   4.2610  1762.82  139.603  1781.49  162.536  1710.32  272.595  107.861   4.9370  104.990   8.5816 2.871788 9.900409 
1 1 1    9   24   21 o  151.844   7.2625  3545.40  336.589   0.0000   0.0000  3545.40  336.589  ?   ?   151.844   7.2625 0.000000 7.262483 
1 1 1    9   24   22 o  145.343   7.3744  3258.28  326.070   0.0000   0.0000  3258.28  326.070  ?   ?   145.343   7.3744 0.000000 7.374366 
1 1 1    9   24   23 o  156.542   7.5439  3773.15  360.447  3951.30  653.039  3695.10  432.256  158.073   13.670  154.315   9.2195 3.757858 16.48821 
1 1 1    9   24   24 o  109.406   3.6505  1830.72  121.901  1903.99  136.961  1551.45  267.395  111.548   4.0227   99.804   8.8703 11.74375 9.739834 
1 1 1    9   24   25 o   63.616   4.4580  622.753   86.015  672.690   98.496  462.315  176.547   66.073   4.9193   53.513   11.170 12.56020 12.20516 
1 1 1    9   24   26 o   62.933   9.5759  627.811  178.139  790.244  904.760  621.260  181.695   73.988   28.455   62.533   9.8451 11.45502 30.10974 
1 1 1    9   24   27 o   93.457   4.1959  1337.51  119.689  1361.70  139.433  1269.77  233.323   94.118   4.8704   90.181   8.5801 3.937256 9.866096 
1 1 1    9   24   28 o   60.321   9.6958  579.509  172.468  844.658  915.357  569.749  175.613   74.598   28.637   59.728   9.9856 14.87012 30.32803 
1 1 1    9   24   29 o   75.951   6.1345  893.386  140.997  1036.27  228.760  805.856  179.050   81.091   9.4179   71.650   8.3435 9.440880 12.58212 
1 1 1    9   24   30 o  126.027   5.2149  2439.75  200.598  2488.52  243.603  2337.00  353.556  127.094   6.2797  122.061   9.5666 5.033691 11.44351 
1 1 1    9   24   31 o   40.975   13.164  263.704  186.752  273.065  205.320  218.861  449.401   41.939   13.826   48.111   19.550 -6.171848 23.94549 
1 1 1    9   24   32 o  107.339   3.7897  1765.36  124.160  1770.55  135.483  1738.15  310.247  107.457   4.1308  104.911   9.8024 2.545616 10.63718 
1 1 1    9   24   33 o  116.232   4.3504  2073.34  154.337  2131.34  175.197  1872.36  326.130  117.762   4.8742  108.771   9.9330 8.991661 11.06444 
1 1 1    9   24   34 o  123.561   4.7460  2346.61  178.990   0.0000   0.0000  2346.61  178.990  ?   ?   123.561   4.7460 0.000000 4.746017 
1 1 1    9   24   35 o   94.677   4.8291  1382.22  139.086   0.0000   0.0000  1382.22  139.086  ?   ?    94.677   4.8291 0.000000 4.829114 
1 1 1    9   24   36 o   83.647   9.9505  1119.27  249.061   0.0000   0.0000  1119.27  249.061  ?   ?    83.647   9.9505 0.000000 9.950470 
1 1 1    9   25    0 o   81.856   16.844  1154.68  371.728  1154.68  371.728  1154.68  371.728   81.856   16.844   81.856   16.844 0.000000 0.000000 
1 1 1    9   25    1 o  168.069   13.989  4438.64  711.098   0.0000   0.0000  4438.64  711.098  ?   ?   168.069   13.989 0.000000 13.98901 
1 1 1    9   25    2 o  262.467   18.144 10968.43  1444.57   0.0000   0.0000 10968.43  1444.57  ?   ?   262.467   18.144 0.000000 18.14355 
1 1 1    9   25    3 o  155.909   5.8599  3724.79  278.856   0.0000   0.0000  3724.79  278.856  ?   ?   155.909   5.8599 0.000000 5.859914 
1 1 1    9   25    4 o  140.085   5.3890  3005.20  230.417   0.0000   0.0000  3005.20  230.417  ?   ?   140.085   5.3890 0.000000 5.388977 
1 1 1    9   25    5 o  160.693   14.085  4063.29  683.841   0.0000   0.0000  4063.29  683.841  ?   ?   160.693   14.085 0.000000 14.08467 
1 1 1    9   25    6 o  292.918   19.928 13779.07  1771.03 13779.07  1771.03   0.0000   0.0000  292.918   19.928  ?   ?  0.000000 19.92754 
1 1 1    9   25    7 o  145.247   5.4796  3231.48  242.926  3231.48  242.926   0.0000   0.0000  145.247   5.4796  ?   ?  0.000000 5.479601 
1 1 1    9   25    8 o  135.688   9.3745  2853.49  385.866  2957.05  556.146  2757.36  535.815  137.049   13.469  132.301   13.456 4.748062 19.03921 
1 1 1    9   25    9 o  122.955   9.2272  2344.58  343.761  2628.41  503.700  2097.13  470.317  129.276   12.939  115.134   13.649 14.14166 18.80764 
1 1 1    9   25   10 o   64.190   4.5307  633.580   88.196  686.849   96.731  371.062  214.737   66.820   4.7743   48.154   13.861 18.66683 14.66049 
1 1 1    9   25   11 o  207.153   5.6747  6576.37  358.796  6757.21  394.183  5702.65  866.429  209.905   6.1526  189.974   15.066 19.93054 16.27389 
1 1 1    9   25   12 o  198.054   7.9798  6036.90  482.384  5570.01  804.073  6299.43  602.939  188.086   14.109  201.889   9.7846 -13.80290 17.16988 
1 1 1    9   25   13 o   85.410   8.4351  1134.64  217.021  1275.49  338.259  1036.10  282.929   89.609   12.725   80.832   11.817 8.776886 17.36537 
1 1 1    9   25   14 o  214.053   5.6744  7023.77  370.729  6810.96  434.900  7589.51  709.105  210.587   6.7661  221.314   10.497 -10.72685 12.48909 
1 1 1    9   25   15 o   81.119   8.0030  1022.97  195.568  1322.44  332.822  865.042  241.695   91.356   12.244   73.875   11.059 17.48138 16.49917 
1 1 1    9   25   16 o   53.886   10.528  465.254  166.938  462.290  283.067  466.835  206.712   53.632   16.045   53.622   12.806 0.1063538E-01 20.52927 
1 1 1    9   25   17 o  164.519   4.7392  4144.74  237.979  4236.27  273.414  3858.66  483.354  166.243   5.3884  157.483   10.109 8.759537 11.45555 
1 1 1    9   25   18 o  185.553   7.9600  5306.68  450.814  5926.60  802.448  5020.79  544.938  193.810   13.652  179.719   9.9735 14.09149 16.90730 
1 1 1    9   25   19 f  159.851   9.1517  3965.18  444.659   0.0000   0.0000  3965.18  444.659  ?   ?   159.851   9.1517 0.000000 9.151695 
1 1 1    9   25   20 o  113.393   7.0347  1986.16  242.270   0.0000   0.0000  1986.16  242.270  ?   ?   113.393   7.0347 0.000000 7.034686 
1 1 1    9   25   21 o   70.898   6.8193  780.392  145.749  627.132  343.418  814.062  160.964   61.569   17.467   72.319   7.3963 -10.74975 18.96806 
1 1 1    9   25   22 o  174.652   4.6774  4674.10  249.341  4740.79  315.467  4563.09  407.016  175.686   5.8830  171.956   7.7549 3.729767 9.733889 
1 1 1    9   25   23 o  127.306   3.9770  2481.00  154.534  2404.49  172.962  2783.75  344.053  125.270   4.5236  133.865   8.4641 -8.594894 9.597114 
1 1 1    9   25   24 o   61.789   4.4580  588.051   83.511  502.222   96.902  835.826  164.643   56.903   5.6542   73.216   7.4722 -16.31332 9.370359 
1 1 1    9   25   25 o   67.771   4.1280  706.143   84.981  723.314   95.407  640.206  186.960   68.534   4.5874   63.356  10.0000 5.178894 11.00199 
1 1 1    9   25   26 o   34.817   10.319  192.631  117.491  267.834  203.264  154.898  143.980   41.689   13.758   33.064   11.569 8.625000 17.97527 
1 1 1    9   25   27 o  200.638   6.1033  6200.71  373.760  6404.29  421.354  5449.19  809.557  203.686   6.7775  183.669   14.560 20.01695 16.06035 
1 1 1    9   25   28 o   85.603   14.032  1202.42  353.910  1202.42  353.910   0.0000   0.0000   85.603   14.032  ?   ?  0.000000 14.03152 
1 1 1    9   25   29 o  214.916   6.1744  7125.37  405.024  6946.96  437.392  8198.74  1072.84  211.982   6.7601  223.513   15.828 -11.53040 17.21141 
1 1 1    9   25   30 o   83.959   4.4013  1084.99  112.395  1097.10  125.498  1035.94  252.642   84.343   4.8961   80.435   10.545 3.907852 11.62592 
1 1 1    9   25   31 o  104.569   3.8712  1676.78  123.555  1664.79  135.412  1736.42  301.937  104.142   4.2600  104.751   9.5486 -0.6089096 10.45581 
1 1 1    9   25   32 o   35.079   12.787  168.741  177.758   0.0000   0.0000  168.741  177.758  ?   ?    35.079   12.787 0.000000 12.78703 
1 1 1    9   25   33 o   74.945   3.5859  861.132   82.027   0.0000   0.0000  861.132   82.027  ?   ?    74.945   3.5859 0.000000 3.585885 
1 1 1    9   26    1 o  349.989   23.486 20225.95  2494.36 20225.95  2494.36   0.0000   0.0000  349.989   23.486  ?   ?  0.000000 23.48619 
1 1 1    9   26    2 o  189.242   14.880  5668.92  852.577  5668.92  852.577   0.0000   0.0000  189.242   14.880  ?   ?  0.000000 14.88041 
1 1 1    9   26    3 o  190.564   14.913  5749.62  860.510  5749.62  860.510   0.0000   0.0000  190.564   14.913  ?   ?  0.000000 14.91340 
1 1 1    9   26    4 o   75.849   4.9206  884.722  113.302  941.962  119.629  386.073  353.088   78.261   5.0348   51.631   18.114 26.62962 18.80074 
1 1 1    9   26    5 o  122.938   13.693  2395.89  505.072   0.0000   0.0000  2395.89  505.072  ?   ?   122.938   13.693 0.000000 13.69278 
1 1 1    9   26    6 o   43.399   16.685  210.817  311.043   0.0000   0.0000  210.817  311.043  ?   ?    43.399   16.685 0.000000 16.68550 
1 1 1    9   26    7 o  162.497   13.313  4161.01  654.508   0.0000   0.0000  4161.01  654.508  ?   ?   162.497   13.313 0.000000 13.31314 
1 1 1    9   26    8 o  163.822   4.7025  4109.36  235.136  4324.31  258.376  3073.16  567.289  168.010   5.0385  139.407   13.501 28.60326 14.41087 
1 1 1    9   26    9 o   46.928   5.5280  342.267   77.662  361.132   85.075  247.954  190.225   48.161   5.9116   40.507   13.306 7.654099 14.56022 
1 1 1    9   26   10 o  134.243   8.6330  2793.28  351.856  3203.57  537.115  2484.84  465.691  142.665   12.460  125.568   12.309 17.09625 17.51453 
1 1 1    9   26   11 o   38.632   11.735  234.366  150.572  232.534  278.537  235.122  178.977   42.874   15.941   39.410   12.905 3.463936 20.50983 
1 1 1    9   26   12 o   92.734   4.2095  1316.19  119.148  1338.18  129.760  1198.00  300.818   93.483   4.5477   86.931   11.629 6.552544 12.48639 
1 1 1    9   26   13 o   56.626   9.9229  511.233  165.250  535.995  268.942  496.214  209.453   57.158   15.165   55.226   12.692 1.931828 19.77558 
1 1 1    9   26   14 o   91.388   7.1849  1293.61  198.798  1055.68  345.901  1410.96  242.925   80.590   14.600   95.211   8.4470 -14.62125 16.86735 
1 1 1    9   26   15 o   18.176   7.0119   33.110   55.073   33.110   55.073   0.0000   0.0000   18.176   7.0119  ?   ?  0.000000 7.011931 
1 1 1    9   26   16 o  144.883   12.285  3313.51  538.149   0.0000   0.0000  3313.51  538.149  ?   ?   144.883   12.285 0.000000 12.28512 
1 1 1    9   26   17 o   83.122   9.4059  1085.09  234.435   0.0000   0.0000  1085.09  234.435  ?   ?    83.122   9.4059 0.000000 9.405900 
1 1 1    9   26   18 o   60.227   12.157  588.730  215.780   0.0000   0.0000  588.730  215.780  ?   ?    60.227   12.157 0.000000 12.15727 
1 1 1    9   26   19 f  232.630   9.2026  8403.38  653.423  9086.86  1145.83  8074.00  795.440  237.437   15.903  226.646   11.537 10.79047 19.64663 
1 1 1    9   26   20 o   65.472   4.5920  660.350   91.183  607.575  105.765  813.144  179.961   62.641   5.5905   71.993   8.3444 -9.352520 10.04409 
1 1 1    9   26   21 o   69.735   3.9990  747.268   84.761  837.825   96.145  431.363  179.574   73.817   4.2858   51.395   11.709 22.42186 12.46850 
1 1 1    9   26   22 o   76.669   7.6218  918.162  175.995  788.262  348.295  962.702  203.948   68.304   16.818   78.263   8.6842 -9.959175 18.92803 
1 1 1    9   26   23 o   26.454   7.1742  111.759   59.389  126.054   64.409   30.630  153.443   28.046   7.4123   26.977   11.238 1.068819 13.46237 
1 1 1    9   26   24 o   72.599   9.8280  838.894  212.180  790.618  323.070  875.512  281.370   68.488   15.780   73.114   13.089 -4.626183 20.50160 
1 1 1    9   26   25 o  287.411   7.1775 12790.85  629.640 12895.72  684.308 12212.08  1607.64  288.225   7.7786  267.866   19.804 20.35886 21.27651 
1 1 1    9   26   26 o   50.758   5.7667  402.051   87.755  402.051   87.755   0.0000   0.0000   50.758   5.7667  ?   ?  0.000000 5.766740 
1 1 1    9   26   27 o   34.820   6.8812  194.132   70.539  194.132   70.539   0.0000   0.0000   34.820   6.8812  ?   ?  0.000000 6.881203 
1 1 1    9   26   28 o   74.767   4.1237  860.510   93.742  872.895   99.911  769.409  270.969   75.266   4.3679   67.930   13.544 7.335289 14.23094 
1 1 1    9   26   29 o   37.900   12.450  225.044  166.533  274.490  295.677  202.071  201.540   44.130   16.421   37.723   13.636 6.406651 21.34468 
1 1 1    9   26   30 o  101.917   4.5318  1597.17  140.973   0.0000   0.0000  1597.17  140.973  ?   ?   101.917   4.5318 0.000000 4.531805 
1 1 1    9   27    0 o  189.969   15.196  5702.50  868.144  5702.50  868.144  5702.50  868.144  189.969   15.196  189.969   15.196 0.000000 0.000000 
1 1 1    9   27    1 o  122.119   9.6748  2327.31  357.664  2578.21  521.428  2104.36  491.522  127.245   13.638  114.556   14.374 12.68820 19.81444 
1 1 1    9   27    2 o  127.640   3.7280  2492.49  145.238  2287.08  206.121  2695.03  204.681  122.087   5.5314  132.588   5.0577 -10.50085 7.495135 
1 1 1    9   27    3 o  201.093   5.9415  6210.25  364.679  6247.81  398.264  6015.32  907.316  201.582   6.4729  193.904   15.459 7.678574 16.75940 
1 1 1    9   27    4 o  129.812   14.725  2701.63  573.094  2701.63  573.094   0.0000   0.0000  129.812   14.725  ?   ?  0.000000 14.72464 
1 1 1    9   27    5 o  107.886   14.498  1872.75  465.318  1872.75  465.318   0.0000   0.0000  107.886   14.498  ?   ?  0.000000 14.49782 
1 1 1    9   27    6 o  152.408   5.5431  3564.91  257.857  3564.91  257.857   0.0000   0.0000  152.408   5.5431  ?   ?  0.000000 5.543118 
1 1 1    9   27    9 o  179.614   13.841  5132.27  752.976   0.0000   0.0000  5132.27  752.976  ?   ?   179.614   13.841 0.000000 13.84149 
1 1 1    9   27   10 o   75.539   4.4802  877.305  102.835  901.299  112.763  758.771  250.634   76.520   4.8532   68.499   12.446 8.021080 13.35901 
1 1 1    9   27   11 o  191.643   9.8902  5730.07  576.541  6313.56  839.711  5209.70  792.997  199.111   13.904  180.445   14.521 18.66634 20.10469 
1 1 1    9   27   12 o  118.122   8.1935  2168.95  293.580  2733.42  450.816  1753.28  386.855  131.640   11.330  104.896   12.317 26.74454 16.73608 
1 1 1    9   27   13 o  139.945   12.194  3104.78  515.643   0.0000   0.0000  3104.78  515.643  ?   ?   139.945   12.194 0.000000 12.19377 
1 1 1    9   27   14 o   53.583   12.418  470.233  199.119   0.0000   0.0000  470.233  199.119  ?   ?    53.583   12.418 0.000000 12.41777 
1 1 1    9   27   15 o   70.473   11.474  798.941  238.307   0.0000   0.0000  798.941  238.307  ?   ?    70.473   11.474 0.000000 11.47369 
1 1 1    9   27   16 o   43.657   5.0994  296.572   66.669  287.969   73.102  339.105  162.533   42.902   5.7255   45.551   11.645 -2.649387 12.97678 
1 1 1    9   27   17 o   63.755   9.2070  645.505  173.971  648.730  285.960  643.609  219.204   62.266   15.183   62.917   11.849 -0.6503677 19.25977 
1 1 1    9   27   18 o  155.669   4.9711  3721.88  236.193  3778.78  258.840  3438.70  577.409  156.762   5.4097  146.406   13.058 10.35675 14.13461 
1 1 1    9   27   19 o   92.201   4.4036  1304.16  123.925  1299.65  134.628  1329.15  317.147   91.871   4.8179   90.997   11.689 0.8737411 12.64291 
1 1 1    9   27   20 o   30.967   11.162  129.795  134.885  242.243  252.159   84.722  159.646   41.706   15.226   29.906   11.820 11.79953 19.27519 
1 1 1    9   27   21 o  119.823   4.0858  2201.94  149.427  2317.71  173.794  1873.72  292.628  122.845   4.6351  109.211   8.8550 13.63477 9.994762 
1 1 1    9   27   22 o   30.294   6.7726  147.521   61.049  146.186   68.401  152.747  135.359   30.106   7.4775   32.404   11.224 -2.297895 13.48672 
1 1 1    9   27   23 o   98.858   8.3797  1535.46  250.466  1806.44  361.445  1285.15  347.398  106.084   11.338   88.469   13.275 17.61514 17.45808 
1 1 1    9   27   24 o   82.123   4.9321  1041.36  123.055  1041.36  123.055   0.0000   0.0000   82.123   4.9321  ?   ?  0.000000 4.932123 
1 1 1    9   27   25 o   36.363   15.035   93.465  271.732   93.465  271.732   0.0000   0.0000   36.363   15.035  ?   ?  0.000000 15.03535 
1 1 1    9   27   26 f   61.692   4.9017  589.570   91.537  584.476   98.039  624.198  255.598   61.349   5.2873   60.681   14.073 0.6679764 15.03382 
1 1 1    9   28    0 o  185.617   14.984  5466.82  836.164  5466.82  836.164  5466.82  836.164  185.617   14.984  185.617   14.984 0.000000 0.000000 
1 1 1    9   28    1 o   85.086   4.7183  1113.88  122.055  1145.13  128.406  821.202  392.955   86.248   4.8980   69.458   18.285 16.78976 18.92964 
1 1 1    9   28    2 o   46.180   15.077  334.849  244.353  396.305  341.893  270.679  349.362   51.076   17.830   46.486   17.728 4.589783 25.14338 
1 1 1    9   28    3 o   59.052   5.5813  540.707   99.404  559.979  360.187  539.118  103.421   58.195   18.234   58.922   5.8269 -0.7274971 19.14246 
1 1 1    9   28    4 o   39.684   14.486  212.764  228.248  246.035  343.838  186.551  305.190   45.389   17.518   41.753   16.393 3.635914 23.99193 
1 1 1    9   28    5 o   74.902   5.2063  865.789  118.285  844.527  125.044  1046.67  364.726   73.910   5.5842   79.359   15.614 -5.449158 16.58213 
1 1 1    9   28    6 f  239.038   11.644  9004.98  849.577  9306.83  1218.70  8719.61  1184.97  238.450   16.854  230.688   16.948 7.761459 23.90132 
1 1 1    9   28    7 o   79.166   8.6134  984.625  204.770  1644.10  340.642  611.481  256.233  101.703   11.157   60.706   14.099 40.99657 17.97914 
1 1 1    9   28    8 o   82.651   4.0934  1046.88  103.263  1106.72  112.853  738.988  255.985   84.845   4.3727   67.177   12.954 17.66759 13.67230 
1 1 1    9   28   13 o   76.164   14.940  968.163  334.905  968.163  334.905   0.0000   0.0000   76.164   14.940  ?   ?  0.000000 14.94014 
1 1 1    9   28   14 o  122.712   5.0176  2314.91  187.929  2314.91  187.929   0.0000   0.0000  122.712   5.0176  ?   ?  0.000000 5.017555 
1 1 1    9   28   15 o   49.567   5.0864  381.747   75.863  381.747   75.863   0.0000   0.0000   49.567   5.0864  ?   ?  0.000000 5.086433 
1 1 1    9   28   16 o   96.356   8.3997  1458.21  244.568  1467.35  362.943  1450.61  331.001   94.920   12.858   94.884   11.676 0.3575134E-01 17.36836 
1 1 1    9   28   17 o   42.942   5.1382  287.750   66.008  286.871   70.084  294.655  196.425   42.809   5.4902   42.739   13.477 0.6970596E-01 14.55213 
1 1 1    9   28   18 o  144.076   4.5265  3189.50  199.053  3264.92  229.845  2963.22  398.113  145.619   5.1713  136.960   9.5839 8.658539 10.89004 
1 1 1    9   28   19 o  106.217   8.4101  1773.90  270.427  1981.55  403.701  1604.87  364.221  110.603   12.159   99.371   12.269 11.23133 17.27349 
1 1 1    9   28   20 o   53.181   4.8006  438.619   77.082  436.692   82.567  451.694  215.086   52.995   5.1703   51.795   13.476 1.200390 14.43412 
1 1 1    9   28   21 o   49.622   11.255  407.685  166.544  498.954  274.262  354.371  209.618   54.005   15.700   46.134   13.809 7.870121 20.90848 
1 1 1    9   28   22 o   88.101   4.1088  1192.20  110.488  1248.55  121.377  919.766  266.890   90.114   4.4129   74.767   12.109 15.34757 12.88833 
1 1 1    9   29    0 o   91.238   4.9977  1285.58  138.219  1285.58  138.219  1285.58  138.219   91.238   4.9977   91.238   4.9977 0.000000 0.000000 
1 1 1    9   29    1 o   34.874   13.809  121.367  218.253   77.835  306.292  166.269  311.078   37.771   15.818   40.893   16.389 -3.122093 22.77734 
1 1 1    9   29    2 o   32.085   13.272   61.459  211.862  133.939  307.190  -4.2907  292.581   39.621   16.139   34.605   14.998 5.015751 22.03199 
1 1 1    9   29    3 o   29.613   12.765  -2.2076  209.624  -9.6667  308.303   4.2056  285.872   35.304   15.348   34.472   14.882 0.8326721 21.37872 
1 1 1    9   29    4 o   78.464   3.5713  943.306   85.530  907.705  123.320  976.305  118.727   76.609   5.3067   79.536   4.9147 -2.927788 7.232920 
1 1 1    9   29    5 o   52.314   14.373  459.336  236.571  452.213  356.567  464.937  316.185   52.949   18.224   52.955   17.141 -0.5958557E-02 25.01874 
1 1 1    9   29    6 o  189.325   10.487  5676.72  603.631  5531.89  857.886  5818.73  849.502  183.021   15.503  188.264   14.905 -5.242767 21.50607 
1 1 1    9   29    7 o  172.634   14.323  4874.66  747.863   0.0000   0.0000  4874.66  747.863  ?   ?   172.634   14.323 0.000000 14.32253 
1 1 1    9   29    8 o   63.997   14.679  692.411  280.640   0.0000   0.0000  692.411  280.640  ?   ?    63.997   14.679 0.000000 14.67943 
1 1 1    9   29    9 o   74.602   13.758  926.081  301.739   0.0000   0.0000  926.081  301.739  ?   ?    74.602   13.758 0.000000 13.75843 
1 1 1    9   29   10 o  168.492   5.1624  4371.71  265.488  4476.07  290.410  3840.77  655.034  170.361   5.5850  152.987   14.189 17.37474 15.24897 
1 1 1    9   29   11 o   95.003   12.614  1473.76  356.712   0.0000   0.0000  1473.76  356.712  ?   ?    95.003   12.614 0.000000 12.61351 
1 1 1    9   29   12 o   96.349   11.294  1497.62  325.839   0.0000   0.0000  1497.62  325.839  ?   ?    96.349   11.294 0.000000 11.29424 
1 1 1    9   29   13 o   53.429   12.455  476.814  199.369   0.0000   0.0000  476.814  199.369  ?   ?    53.429   12.455 0.000000 12.45518 
1 1 1    9   29   14 o  121.614   12.035  2397.13  440.881   0.0000   0.0000  2397.13  440.881  ?   ?   121.614   12.035 0.000000 12.03536 
1 1 1    9   29   15 f   35.467   11.491  197.898  142.065  212.529  222.476  187.824  184.603   38.889   14.286   36.258   13.059 2.631535 19.35482 
1 1 1    9   29   16 o   12.252   5.5225 -22.1110   43.617 -20.9962   45.414 -35.3668  156.602   12.624   5.6674   24.352   10.752 -11.72821 12.15380 
1 1 1    9   30    0 o   95.648   4.8840  1412.04  141.736  1412.04  141.736  1412.04  141.736   95.648   4.8840   95.648   4.8840 0.000000 0.000000 
1 1 1    9   30    1 o   29.283   12.433   24.107  193.460   14.267  269.493   34.570  277.887   33.559   14.469   34.635   14.808 -1.075676 20.70335 
1 1 1    9   30    2 o   52.073   14.131  461.203  230.319  443.843  330.805  477.535  320.862   51.637   17.558   52.998   17.275 -1.360558 24.63163 
1 1 1    9   30    3 o   83.482   15.547  1191.49  381.559   0.0000   0.0000  1191.49  381.559  ?   ?    83.482   15.547 0.000000 15.54653 
1 1 1    9   30    4 o   29.965   7.9033  145.418   73.322   0.0000   0.0000  145.418   73.322  ?   ?    29.965   7.9033 0.000000 7.903305 
1 1 1    9   30    6 o   39.575   15.662  177.779  280.623   0.0000   0.0000  177.779  280.623  ?   ?    39.575   15.662 0.000000 15.66176 
1 1 1    9   30    7 f  111.320   9.3981  1971.00  316.340  1836.63  466.080  2085.76  430.749  104.236   15.088  112.689   12.748 -8.452805 19.75256 
1 1 1   10    0    0 o   69.469   4.9486  747.714  103.706  747.714  103.706  747.714  103.706   69.469   4.9486   69.469   4.9486 0.000000 0.000000 
1 1 1   10    0    1 o  905.846   37.514 127079.50 10331.73 127079.50 10331.73 127079.50 10331.73  905.846   37.514  905.846   37.514 0.000000 0.000000 
1 1 1   10    0    2 o  613.214   36.983 58545.53  6864.32 58545.53  6864.32 58545.53  6864.32  613.214   36.983  613.214   36.983 0.000000 0.000000 
1 1 1   10    0    3 o  136.054   5.2273  2837.98  216.345  2837.98  216.345  2837.98  216.345  136.054   5.2273  136.054   5.2273 0.000000 0.000000 
1 1 1   10    0    4 o  110.766   4.9262  1883.80  165.796  1883.80  165.796  1883.80  165.796  110.766   4.9262  110.766   4.9262 0.000000 0.000000 
1 1 1   10    0    5 o   67.934   4.2116  712.474   86.558  712.474   86.558  712.474   86.558   67.934   4.2116   67.934   4.2116 0.000000 0.000000 
1 1 1   10    0    6 o  374.750   9.4903 21487.19  1083.95 21487.19  1083.95 21487.19  1083.95  374.750   9.4903  374.750   9.4903 0.000000 0.000000 
1 1 1   10    0    7 o  317.492   11.629 15460.00  1123.50 15460.00  1123.50 15460.00  1123.50  317.492   11.629  317.492   11.629 0.000000 0.000000 
1 1 1   10    0    8 o  275.495   10.307 11640.22  863.909 11640.22  863.909 11640.22  863.909  275.495   10.307  275.495   10.307 0.000000 0.000000 
1 1 1   10    0    9 o   22.939   10.801  117.674   85.184  117.674   85.184  117.674   85.184   22.939   10.801   22.939   10.801 0.000000 0.000000 
1 1 1   10    0   10 o  712.620   12.653 77664.52  2750.18 77664.52  2750.18 77664.52  2750.18  712.620   12.653  712.620   12.653 0.000000 0.000000 
1 1 1   10    0   11 o   48.249   4.8083  365.807   69.197  365.807   69.197  365.807   69.197   48.249   4.8083   48.249   4.8083 0.000000 0.000000 
1 1 1   10    0   12 o  302.384   6.2262 13976.04  574.091 13976.04  574.091 13976.04  574.091  302.384   6.2262  302.384   6.2262 0.000000 0.000000 
1 1 1   10    0   13 o  543.954   14.860 45332.77  2463.01 45332.77  2463.01 45332.77  2463.01  543.954   14.860  543.954   14.860 0.000000 0.000000 
1 1 1   10    0   14 o  256.779   18.060 10236.08  1399.34 10236.08  1399.34 10236.08  1399.34  256.779   18.060  256.779   18.060 0.000000 0.000000 
1 1 1   10    0   15 o  493.599   12.633 37302.60  1900.39 37302.60  1900.39 37302.60  1900.39  493.599   12.633  493.599   12.633 0.000000 0.000000 
1 1 1   10    0   16 o  481.344   8.2328 35409.58  1208.74 35409.58  1208.74 35409.58  1208.74  481.344   8.2328  481.344   8.2328 0.000000 0.000000 
1 1 1   10    0   17 o  108.566   9.2347  1838.79  300.915  1838.79  300.915  1838.79  300.915  108.566   9.2347  108.566   9.2347 0.000000 0.000000 
1 1 1   10    0   18 o  194.910   6.9260  5822.10  410.856  5822.10  410.856  5822.10  410.856  194.910   6.9260  194.910   6.9260 0.000000 0.000000 
1 1 1   10    0   19 o  441.409   11.720 29836.49  1576.47 29836.49  1576.47 29836.49  1576.47  441.409   11.720  441.409   11.720 0.000000 0.000000 
1 1 1   10    0   20 o  551.218   23.348 46872.44  3912.17 46872.44  3912.17 46872.44  3912.17  551.218   23.348  551.218   23.348 0.000000 0.000000 
1 1 1   10    0   21 o  178.238   13.250  4937.33  711.688  4937.33  711.688  4937.33  711.688  178.238   13.250  178.238   13.250 0.000000 0.000000 
1 1 1   10    0   22 o   18.680   11.336   48.521  120.073   48.521  120.073   48.521  120.073   18.680   11.336   18.680   11.336 0.000000 0.000000 
1 1 1   10    0   23 o  309.624   19.838 14886.35  1857.17 14886.35  1857.17 14886.35  1857.17  309.624   19.838  309.624   19.838 0.000000 0.000000 
1 1 1   10    0   24 o  123.943   4.2335  2353.23  159.730  2353.23  159.730  2353.23  159.730  123.943   4.2335  123.943   4.2335 0.000000 0.000000 
1 1 1   10    0   25 o   33.835   12.268  232.477  116.374  232.477  116.374  232.477  116.374   33.835   12.268   33.835   12.268 0.000000 0.000000 
1 1 1   10    0   26 o  719.684   18.582 79722.45  4075.70 79722.45  4075.70 79722.45  4075.70  719.684   18.582  719.684   18.582 0.000000 0.000000 
1 1 1   10    0   27 f  532.833   13.138 43564.84  2133.81 43564.84  2133.81 43564.84  2133.81  532.833   13.138  532.833   13.138 0.000000 0.000000 
1 1 1   10    0   28 o   6.3096   4.2701 -12.2971   24.291 -12.2971   24.291 -12.2971   24.291   6.3096   4.2701   6.3096   4.2701 0.000000 0.000000 
1 1 1   10    0   29 o  151.623   3.0920  3513.68  142.960  3513.68  142.960  3513.68  142.960  151.623   3.0920  151.623   3.0920 0.000000 0.000000 
1 1 1   10    0   30 o  139.844   4.8371  2997.03  205.907  2997.03  205.907  2997.03  205.907  139.844   4.8371  139.844   4.8371 0.000000 0.000000 
1 1 1   10    0   31 o   34.438   9.8612  220.585   89.858  220.585   89.858  220.585   89.858   34.438   9.8612   34.438   9.8612 0.000000 0.000000 
1 1 1   10    0   32 o  461.815   12.815 32775.20  1803.22 32775.20  1803.22 32775.20  1803.22  461.815   12.815  461.815   12.815 0.000000 0.000000 
1 1 1   10    0   33 o  244.361   12.199  9220.88  904.669  9220.88  904.669  9220.88  904.669  244.361   12.199  244.361   12.199 0.000000 0.000000 
1 1 1   10    0   34 o  246.618   6.4355  9312.86  483.677  9312.86  483.677  9312.86  483.677  246.618   6.4355  246.618   6.4355 0.000000 0.000000 
1 1 1   10    0   35 o  205.770   5.6917  6483.42  356.852  6483.42  356.852  6483.42  356.852  205.770   5.6917  205.770   5.6917 0.000000 0.000000 
1 1 1   10    0   36 o  662.399   12.232 67370.22  2471.14 67370.22  2471.14 67370.22  2471.14  662.399   12.232  662.399   12.232 0.000000 0.000000 
1 1 1   10    0   37 o   15.295   9.2072   35.125   77.937   35.125   77.937   35.125   77.937   15.295   9.2072   15.295   9.2072 0.000000 0.000000 
1 1 1   10    0   38 o   43.375   4.5418  296.656   58.619  296.656   58.619  296.656   58.619   43.375   4.5418   43.375   4.5418 0.000000 0.000000 
1 1 1   10    0   39 o  257.744   5.6564 10164.78  444.501 10164.78  444.501 10164.78  444.501  257.744   5.6564  257.744   5.6564 0.000000 0.000000 
1 1 1   10    0   40 o   57.550   4.2106  513.841   73.051  513.841   73.051  513.841   73.051   57.550   4.2106   57.550   4.2106 0.000000 0.000000 
1 1 1   10    0   41 o  387.086   6.2464 22917.76  737.564 22917.76  737.564 22917.76  737.564  387.086   6.2464  387.086   6.2464 0.000000 0.000000 
1 1 1   10    0   42 o  117.161   3.6920  2102.17  131.731  2102.17  131.731  2102.17  131.731  117.161   3.6920  117.161   3.6920 0.000000 0.000000 
1 1 1   10    0   43 o   75.712   5.5741  889.997  127.207  889.997  127.207  889.997  127.207   75.712   5.5741   75.712   5.5741 0.000000 0.000000 
1 1 1   10    0   44 o  467.385   16.573 33836.04  2357.50 33836.04  2357.50 33836.04  2357.50  467.385   16.573  467.385   16.573 0.000000 0.000000 
1 1 1   10    0   45 o  225.930   5.0413  7810.08  347.250  7810.08  347.250  7810.08  347.250  225.930   5.0413  225.930   5.0413 0.000000 0.000000 
1 1 1   10    0   46 o  360.801   6.4136 19922.67  705.798 19922.67  705.798 19922.67  705.798  360.801   6.4136  360.801   6.4136 0.000000 0.000000 
1 1 1   10    0   47 f   24.602   10.835  133.341   85.301  133.341   85.301  133.341   85.301   24.602   10.835   24.602   10.835 0.000000 0.000000 
1 1 1   10    0   48 o  100.317   4.2293  1545.40  128.974  1545.40  128.974  1545.40  128.974  100.317   4.2293  100.317   4.2293 0.000000 0.000000 
1 1 1   10    0   49 o  209.852   6.0804  6751.77  388.719  6751.77  388.719  6751.77  388.719  209.852   6.0804  209.852   6.0804 0.000000 0.000000 
1 1 1   10    0   50 o  141.646   5.6204  3082.40  242.123  3082.40  242.123  3082.40  242.123  141.646   5.6204  141.646   5.6204 0.000000 0.000000 
1 1 1   10    0   51 o  187.506   3.4239  5375.30  195.807  5375.30  195.807  5375.30  195.807  187.506   3.4239  187.506   3.4239 0.000000 0.000000 
1 1 1   10    0   52 o  186.927   4.4179  5349.45  251.744  5349.45  251.744  5349.45  251.744  186.927   4.4179  186.927   4.4179 0.000000 0.000000 
1 1 1   10    0   53 o   34.972   6.4849  205.346   62.224  205.346   62.224  205.346   62.224   34.972   6.4849   34.972   6.4849 0.000000 0.000000 
1 1 1   10    0   54 o   31.773   14.196  225.990  146.375  225.990  146.375  225.990  146.375   31.773   14.196   31.773   14.196 0.000000 0.000000 
1 1 1   10    0   55 f   46.040   7.8319  352.127  100.493  352.127  100.493  352.127  100.493   46.040   7.8319   46.040   7.8319 0.000000 0.000000 
1 1 1   10    0   56 o   57.230   6.5067  521.476  109.865  521.476  109.865  521.476  109.865   57.230   6.5067   57.230   6.5067 0.000000 0.000000 
1 1 1   10    0   57 o   64.890   23.497  895.878  427.191  895.878  427.191  895.878  427.191   64.890   23.497   64.890   23.497 0.000000 0.000000 
1 1 1   10    0   58 o   99.993   4.7399  1541.49  143.922  1541.49  143.922  1541.49  143.922   99.993   4.7399   99.993   4.7399 0.000000 0.000000 
1 1 1   10    1    0 o  444.824   19.109 30439.59  2583.55 30439.59  2583.55 30439.59  2583.55  444.824   19.109  444.824   19.109 0.000000 0.000000 
1 1 1   10    1    1 o  236.150   5.5240  8514.02  398.159  8179.32  489.115  9171.49  685.524  231.436   6.9241  245.014   9.1667 -13.57835 11.48790 
1 1 1   10    1    2 o  256.051   6.0677 10010.29  474.205 11239.56  954.727  9607.70  546.366  271.149   11.536  250.827   7.1366 20.32260 13.56502 
1 1 1   10    1    3 o  550.538   12.954 46355.85  2176.77 45712.41  2359.09 50042.58  5646.94  546.590   14.141  567.803   32.722 -21.21295 35.64676 
1 1 1   10    1    4 o  560.022   10.039 47925.46  1715.95 46838.66  1888.12 53082.43  4112.96  553.549   11.175  587.763   22.926 -34.21350 25.50499 
1 1 1   10    1    5 o  777.108   26.186 92988.34  6211.19 89865.92 10752.45 94552.01  7609.13  755.260   46.875  781.940   31.882 -26.67950 56.68990 
1 1 1   10    1    6 o  180.594   3.2905  4978.00  181.375  4853.45  224.255  5213.57  308.409  178.313   4.1204  184.794   5.4679 -6.481247 6.846607 
1 1 1   10    1    7 o  375.542   7.7564 21540.21  889.068 21205.69  1010.71 22684.37  1869.23  372.568   8.8880  384.894   15.911 -12.32654 18.22541 
1 1 1   10    1    8 f  293.392   4.6031 13140.30  412.208 13355.44  527.223 12801.99  661.151  295.758   5.8404  289.523   7.4817 6.235321 9.491376 
1 1 1   10    1    9 o   99.762   2.4462  1518.99   74.487  1545.86  101.497  1487.62  109.657  100.637   3.3043   98.722   3.6392 1.915375 4.915482 
1 1 1   10    1   10 o  437.042   6.4856 29166.44  865.149 28809.16  1075.67 29820.93  1455.89  434.286   8.1150  441.693   10.799 -7.406830 13.50833 
1 1 1   10    1   11 o  218.561   4.2505  7291.90  283.550  7231.87  306.602  7646.71  745.365  217.654   4.6152  223.658   10.919 -6.003860 11.85394 
1 1 1   10    1   12 o  399.067   7.2188 24321.91  879.286 23453.35  1242.64 25192.86  1244.35  391.723   10.393  406.011   10.041 -14.28757 14.45152 
1 1 1   10    1   13 o  500.978   21.263 38549.31  3251.29 38833.29  4595.92 38264.82  4600.12  500.307   30.239  496.549   30.500 3.757660 42.94910 
1 1 1   10    1   14 o  298.579   6.1501 13612.73  560.474 13497.45  792.078 13728.33  793.184  297.229   8.7309  299.763   8.6692 -2.533691 12.30380 
1 1 1   10    1   15 o  438.727   8.3991 29405.67  1124.71 29970.64  1520.26 28722.55  1671.67  442.737   11.250  433.313   12.640 9.423523 16.92104 
1 1 1   10    1   16 o  124.509   3.6279  2366.32  137.870  1998.69  247.617  2531.50  165.977  114.173   7.1415  128.776   4.2227 -14.60355 8.296532 
1 1 1   10    1   17 o   71.665   3.2201  783.921   70.435  784.975   88.895  782.143  115.451   71.593   4.0850   71.374   5.3382 0.2190170 6.721927 
1 1 1   10    1   18 o  578.321   10.704 51139.41  1889.42 50741.45  2672.47 51537.10  2671.61  575.505   15.214  580.018   15.091 -4.512573 21.42906 
1 1 1   10    1   19 o  284.498   10.332 12375.54  897.206 12069.03  1536.78 12534.04  1105.09  279.836   18.089  286.180   12.652 -6.343750 22.07454 
1 1 1   10    1   20 o  291.324   7.6385 12966.42  679.211 13323.36  1801.26 12907.25  733.344  293.657   20.220  290.632   8.2670 3.024902 21.84440 
1 1 1   10    1   21 o  135.234   5.1337  2792.50  211.900  2691.56  250.087  3049.41  398.981  132.751   6.1721  140.923   9.3286 -8.171173 11.18564 
1 1 1   10    1   22 o  436.128   10.546 29101.20  1403.79 28800.04  1522.36 30811.76  3628.20  433.762   11.499  444.931   26.842 -11.16861 29.20158 
1 1 1   10    1   23 o  430.441   9.6232 28342.29  1264.30 29099.17  2486.94 28078.49  1468.18  434.728   18.743  428.251   11.232 6.476501 21.85064 
1 1 1   10    1   24 o  163.324   4.8815  4073.65  243.345  3949.54  278.085  4479.40  502.794  160.798   5.6660  170.822   9.6832 -10.02420 11.21912 
1 1 1   10    1   25 o  262.926   5.6078 10560.71  450.033 10300.48  635.068 10823.21  637.826  259.530   8.0171  266.045   7.8547 -6.514771 11.22361 
1 1 1   10    1   26 o  364.199   8.4039 20293.70  934.193 21452.38  1840.52 19891.60  1084.24  373.186   16.158  360.403   9.8565 12.78348 18.92730 
1 1 1   10    1   27 o  137.473   4.4783  2886.48  187.911  2857.13  213.928  2985.60  393.154  136.756   5.1251  139.324   9.2986 -2.568329 10.61752 
1 1 1   10    1   28 o  279.204   5.2190 11910.67  444.760 12316.41  605.502 11435.26  655.431  283.788   6.9904  273.373   7.8551 10.41486 10.51520 
1 1 1   10    1   29 o  213.387   3.1853  6952.22  207.457  7149.59  292.803  6753.26  293.978  216.348   4.4341  210.259   4.5808 6.088303 6.375353 
1 1 1   10    1   30 o  292.466   7.3355 13087.56  654.823 13577.63  1221.23 12889.80  775.772  296.983   13.473  290.088   8.7617 6.894928 16.07098 
1 1 1   10    1   31 o  425.492   8.3693 27727.07  1086.92 28031.65  1537.04 27422.41  1537.24  427.082   11.791  422.382   11.924 4.699890 16.76935 
1 1 1   10    1   32 o  453.715   7.2588 31503.79  1005.23 33291.10  1740.75 30609.58  1231.27  465.210   12.259  446.889   9.0269 18.32034 15.22425 
1 1 1   10    1   33 o  256.592   4.0335 10056.90  315.894 10210.73  446.547  9902.81  446.935  258.434   5.6611  254.500   5.7536 3.933975 8.071683 
1 1 1   10    1   34 o  124.100   2.8432  2351.45  107.697  2521.58  137.973  2086.15  172.295  128.495   3.5180  116.838   4.8314 11.65707 5.976460 
1 1 1   10    1   35 o  215.030   3.7408  7062.42  245.516  7252.44  313.629  6761.66  394.564  217.850   4.7167  210.251   6.1484 7.599060 7.749238 
1 1 1   10    1   36 o  294.975   3.6211 13289.73  326.018 13337.44  472.562 13246.40  450.358  295.371   5.2417  294.383   5.0122 0.9880371 7.252428 
1 1 1   10    1   37 o  281.643   3.5277 12115.31  303.253 12297.71  400.948 11871.50  463.563  283.672   4.6308  278.638   5.4507 5.033752 7.152213 
1 1 1   10    1   38 o  379.374   5.4748 22008.22  633.945 22476.21  811.708 21276.35  1015.07  383.156   6.9408  372.400   8.9304 10.75583 11.31045 
1 1 1   10    1   39 o  342.671   7.3344 17985.20  767.109 17974.49  874.536 18020.92  1597.50  342.383   8.3685  340.935   15.352 1.447632 17.48432 
1 1 1   10    1   40 o  263.900   4.1336 10640.76  332.959 10675.24  419.075 10581.74  548.303  264.238   5.1961  262.903   6.8330 1.335632 8.584217 
1 1 1   10    1   41 o  139.385   2.4001  2966.16  102.108  3146.71  164.074  2852.03  130.447  143.524   3.7454  136.659   3.1274 6.865540 4.879402 
1 1 1   10    1   42 o  310.425   5.5215 14737.59  523.159 14671.18  1331.58 14749.72  568.906  307.896   14.169  310.492   6.0031 -2.596313 15.38848 
1 1 1   10    1   43 o  400.345   5.1762 24507.42  632.501 24364.47  894.952 24650.06  894.031  398.783   7.3527  401.124   7.3022 -2.341064 10.36266 
1 1 1   10    1   44 o  164.566   3.6656  4137.19  184.122  4374.43  255.551  3881.10  265.509  169.148   4.9499  159.293   5.4609 9.854996 7.370411 
1 1 1   10    1   45 o  247.636   4.1503  9371.49  313.698  9276.35  389.334  9547.56  529.643  246.282   5.1793  249.644   6.9510 -3.361877 8.668405 
1 1 1   10    1   46 o  158.920   3.0652  3857.36  148.679  3861.28  186.739  3850.57  245.730  158.965   3.8487  158.671   5.0739 0.2935333 6.368455 
1 1 1   10    1   47 o  133.383   2.5160  2716.66  102.431  2744.10  122.530  2652.97  186.654  134.039   2.9950  131.720   4.6427 2.319153 5.524883 
1 1 1   10    1   48 o  140.774   2.6283  3026.39  112.930  2963.86  167.688  3078.29  152.768  139.254   3.9453  141.938   3.5263 -2.684341 5.291474 
1 1 1   10    1   49 o  255.153   4.6030  9957.60  358.478 10288.23  530.596  9679.94  486.233  259.030   6.7112  251.320   6.3387 7.710251 9.231409 
1 1 1   10    1   50 o  254.727   5.9008  9942.05  458.777 10017.59  518.584  9670.05  984.049  255.556   6.6484  248.993   12.993 6.562561 14.59547 
1 1 1   10    1   51 o  184.800   3.8206  5221.48  215.503  5536.68  295.602  4863.92  314.843  190.159   5.0930  178.146   5.7903 12.01259 7.711430 
1 1 1   10    1   52 o   45.790   3.9689  323.089   54.921  390.601   78.613  258.721   76.761   50.228   5.2032   40.569   6.4122 9.659389 8.257736 
1 1 1   10    1   53 o  313.810   7.0477 15148.20  675.040 16659.46  1163.90 14382.16  828.646  326.856   11.667  305.058   8.8996 21.79794 14.67345 
1 1 1   10    1   54 o   59.781   3.9972  549.420   72.515  563.903  114.364  539.682   93.777   60.245   6.3132   59.088   5.2545 1.157349 8.213821 
1 1 1   10    1   55 o  146.583   3.5510  3287.71  158.872  3187.65  247.509  3357.82  207.189  144.050   5.6294  148.008   4.5863 -3.958054 7.261118 
1 1 1   10    1   56 o   23.975   7.0045   90.364   54.471  170.454  135.730   74.988   59.471   33.737   11.247   22.541   7.4416 11.19570 13.48628 
1 1 1   10    1   57 o   88.876   7.7994  1233.54  209.434  1196.57  243.232  1339.55  411.845   87.109   9.2917   89.817   15.588 -2.708267 18.14748 
1 1 1   10    1   58 o   68.423   5.0755  723.658  105.243  723.658  105.243   0.0000   0.0000   68.423   5.0755  ?   ?  0.000000 5.075479 
1 1 1   10    2    0 o  315.314   14.157 15285.64  1356.21 15285.64  1356.21 15285.64  1356.21  315.314   14.157  315.314   14.157 0.000000 0.000000 
1 1 1   10    2    1 o  223.297   4.6458  7611.56  316.635  7658.21  447.908  7564.96  447.670  223.949   6.5527  222.581   6.5895 1.368256 9.293012 
1 1 1   10    2    2 o  499.384   10.002 38108.48  1524.47 42437.28  2746.77 36181.51  1832.64  526.326   17.098  486.429   12.344 39.89746 21.08821 
1 1 1   10    2    3 o  537.180   10.459 44100.84  1714.78 46721.71  3088.82 42933.22  2061.67  552.097   18.330  529.838   12.749 22.25903 22.32734 
1 1 1   10    2    4 o  166.997   3.1373  4256.58  159.913  3825.74  260.232  4517.98  202.700  158.300   5.3859  172.043   3.8601 -13.74252 6.626377 
1 1 1   10    2    5 o  543.601   8.1195 45136.24  1347.19 46397.65  2264.35 44445.08  1676.12  550.726   13.471  539.289   10.183 11.43677 16.88636 
1 1 1   10    2    6 o  484.322   10.503 35850.20  1552.66 36187.95  3052.62 35732.34  1803.35  485.589   20.596  483.400   12.222 2.188751 23.94975 
1 1 1   10    2    7 o  233.208   5.2547  8303.00  374.034  8323.87  422.751  8227.81  802.570  233.489   5.9320  231.993   11.334 1.495895 12.79267 
1 1 1   10    2    8 o  171.837   3.1933  4506.94  167.484  4470.82  200.423  4590.54  304.927  171.142   3.8368  173.397   5.7615 -2.254669 6.922177 
1 1 1   10    2    9 o  157.400   3.5269  3781.56  169.438  3746.34  181.504  4020.34  472.595  156.663   3.7958  161.921   9.6053 -5.258179 10.32815 
1 1 1   10    2   10 o  476.048   7.0890 34609.03  1030.04 33731.73  1281.12 36213.07  1732.31  469.880   8.9328  486.667   11.662 -16.78723 14.69009 
1 1 1   10    2   11 o  530.218   9.0287 42952.72  1461.17 41707.32  2065.43 44200.46  2067.37  522.160   12.960  537.575   12.600 -15.41455 18.07495 
1 1 1   10    2   12 o  473.388   10.343 34251.45  1494.43 34132.74  2935.73 34292.97  1736.21  471.537   20.398  473.550   12.012 -2.012665 23.67194 
1 1 1   10    2   13 o  645.245   11.629 63662.04  2290.31 63673.73  3093.19 63647.86  3407.57  644.786   15.717  644.410   17.325 0.3764648 23.39175 
1 1 1   10    2   14 o  447.415   7.0269 30571.99  959.607 30514.38  1155.78 30699.83  1721.68  446.920   8.4728  447.991   12.591 -1.071045 15.17649 
1 1 1   10    2   15 o  487.852   10.547 36382.32  1570.46 35927.50  1681.56 39487.02  4393.40  484.727   11.366  504.775   28.634 -20.04791 30.80700 
1 1 1   10    2   16 o  426.232   8.0892 27753.70  1052.36 27502.00  1106.11 30156.22  3417.39  424.270   8.5416  441.585   25.463 -17.31586 26.85744 
1 1 1   10    2   17 o  135.860   4.8257  2817.95  200.110  2515.33  595.503  2856.47  212.465  127.180   15.672  136.782   5.0891 -9.602257 16.47793 
1 1 1   10    2   18 o  435.362   18.942 29102.52  2517.05   0.0000   0.0000 29102.52  2517.05  ?   ?   435.362   18.942 0.000000 18.94193 
1 1 1   10    2   19 o  350.737   7.9852 18795.27  854.843   0.0000   0.0000 18795.27  854.843  ?   ?   350.737   7.9852 0.000000 7.985232 
1 1 1   10    2   20 o  263.794   5.8843 10626.93  473.778 10266.11  704.866 10924.29  639.885  259.165   8.9107  267.390   7.8404 -8.224945 11.86899 
1 1 1   10    2   21 o  289.493   4.8342 12796.11  427.146 12727.99  541.722 12908.07  694.502  288.678   6.1482  290.641   7.8289 -1.963043 9.954464 
1 1 1   10    2   22 o  358.960   6.7400 19685.23  738.453 18200.38  1089.17 20948.48  1004.61  344.908   10.346  370.153   8.8920 -25.24484 13.64215 
1 1 1   10    2   23 o  363.794   8.3867 20234.78  931.244 20779.45  1845.95 20048.84  1078.55  367.697   16.448  362.001   9.7614 5.696045 19.12646 
1 1 1   10    2   24 o  503.438   11.993 38842.70  1842.84 37900.36  2197.46 41076.35  3383.17  496.813   14.491  515.313   21.510 -18.50024 25.93590 
1 1 1   10    2   25 o  407.835   9.5750 25460.45  1191.91 24953.57  3078.61 25549.82  1292.72  399.393   25.386  408.444   10.369 -9.051178 27.42232 
1 1 1   10    2   26 o  115.465   6.8143  2045.17  239.087  2124.02  368.414  1987.80  314.249  117.286   10.399  113.590   9.1413 3.695946 13.84580 
1 1 1   10    2   27 o  189.013   5.8817  5459.75  339.324  5654.30  793.727  5416.24  375.353  191.288   13.685  188.228   6.5334 3.059998 15.16460 
1 1 1   10    2   28 o  334.810   5.4843 17129.77  560.446 16850.42  674.754 17751.20  1006.40  331.966   6.6594  340.357   9.6877 -8.391693 11.75579 
1 1 1   10    2   29 o  262.194   5.1010 10503.98  408.218  9982.79  576.342 11028.68  578.277  255.437   7.3923  268.515   7.0559 -13.07791 10.21916 
1 1 1   10    2   30 o  413.064   7.6460 26112.88  963.987 25650.44  1060.53 28311.53  2312.45  409.255   8.4901  427.462   17.724 -18.20679 19.65238 
1 1 1   10    2   31 o  206.463   3.7499  6510.04  236.311  6300.52  426.715  6602.72  283.803  202.941   6.8889  207.896   4.4725 -4.955261 8.213459 
1 1 1   10    2   32 o  193.068   3.9452  5693.36  232.484  5877.91  339.827  5530.99  318.750  196.085   5.6780  190.221   5.4900 5.863846 7.898121 
1 1 1   10    2   33 o  173.554   3.3955  4599.76  179.870  4593.32  228.564  4610.24  291.520  173.398   4.3186  173.661   5.4998 -0.2627869 6.992780 
1 1 1   10    2   34 o   85.742   2.4870  1122.36   65.085  1230.65   88.363  993.931   96.227   89.772   3.2249   80.666   3.9083 9.106239 5.067000 
1 1 1   10    2   35 o  147.247   2.9534  3310.65  132.734  3270.36  186.936  3351.60  188.501  146.310   4.1860  148.116   4.1696 -1.806702 5.908333 
1 1 1   10    2   36 o  207.639   4.8324  6589.43  306.261  6714.70  566.703  6537.75  363.993  209.238   8.8736  206.759   5.7678 2.479156 10.58338 
1 1 1   10    2   37 o  233.389   4.6489  8324.54  331.167  8399.95  485.639  8258.99  452.768  234.257   6.7921  232.324   6.3851 1.933304 9.322096 
1 1 1   10    2   38 o  333.754   7.3978 17061.60  753.605 17270.32  1583.36 17000.47  856.885  333.725   15.544  332.974   8.4313 0.7504883 17.68379 
1 1 1   10    2   39 o  143.371   3.3677  3139.38  147.370  3355.02  213.430  2942.88  203.733  148.159   4.7197  138.756   4.8105 9.402359 6.739165 
1 1 1   10    2   40 f   81.577   3.4419  1016.43   85.701  1135.05  238.744  998.879   91.820   85.493   9.2992   80.864   3.7202 4.628815 10.01572 
1 1 1   10    2   41 o   93.199   2.8165  1326.31   80.118  1515.48  139.199  1232.60   97.973   99.579   4.5799   89.831   3.5733 9.747879 5.808911 
1 1 1   10    2   42 o  231.038   4.0359  8155.50  284.605  8512.29  444.530  7907.65  370.494  235.856   6.1750  227.402   5.3379 8.453796 8.162336 
1 1 1   10    2   43 o  207.911   3.3426  6602.28  212.121  6980.94  346.245  6374.78  268.382  213.658   5.3094  204.243   4.3052 9.414948 6.835538 
1 1 1   10    2   44 o  127.676   4.0564  2490.86  158.078  2508.72  182.637  2437.51  315.617  128.107   4.6709  125.787   8.2667 2.320335 9.495047 
1 1 1   10    2   45 o  258.535   3.7923 10212.32  299.254 10340.21  349.941  9864.28  577.302  260.096   4.4080  253.673   7.4561 6.422577 8.661634 
1 1 1   10    2   46 o  189.144   4.0395  5467.34  233.204  5501.11  309.392  5422.92  354.863  189.629   5.3455  188.200   6.1777 1.429108 8.169324 
1 1 1   10    2   47 o  134.534   2.7214  2764.02  111.750  2921.84  134.438  2411.16  201.018  138.304   3.1847  125.538   5.2462 12.76564 6.137146 
1 1 1   10    2   48 o   77.712   2.9132  922.403   69.099  924.096  130.142  921.738   81.541   77.503   5.5380   77.671   3.4396 -0.1680603 6.519205 
1 1 1   10    2   49 o   47.621   4.4521  349.826   63.959  299.412  122.460  368.737   75.002   43.254   9.5326   48.823   5.1088 -5.568249 10.81527 
1 1 1   10    2   50 o  102.103   4.6313  1594.94  144.329  1606.15  175.590  1571.59  253.417  102.244   5.6485  100.739   8.3161 1.505447 10.05303 
1 1 1   10    2   51 o  320.131   5.1044 15692.64  498.762 15586.51  638.608 15858.63  798.640  318.698   6.5650  320.988   8.1516 -2.290497 10.46656 
1 1 1   10    2   52 o  169.140   3.3469  4373.00  172.784  4425.96  217.985  4283.47  283.396  170.083   4.1990  167.164   5.5544 2.918930 6.962958 
1 1 1   10    2   53 o   74.132   5.1467  846.292  115.732  860.315  139.167  814.847  208.391   74.601   6.1671   71.894   9.7481 2.707893 11.53510 
1 1 1   10    2   54 o  169.761   3.9975  4411.14  207.132  4472.69  311.178  4362.17  277.555  170.631   5.9750  168.612   5.3931 2.018417 8.048993 
1 1 1   10    2   55 o  127.795   4.1668  2501.52  162.530  2347.77  358.116  2541.40  182.397  122.474   9.6583  128.753   4.6413 -6.278893 10.71561 
1 1 1   10    2   56 o  107.809   3.2878  1778.31  108.186  1728.89  156.523  1823.53  149.701  106.142   4.8314  109.049   4.4977 -2.906601 6.600872 
1 1 1   10    2   57 o  104.715   4.3278  1681.71  138.323  1736.14  153.680  1449.47  317.442  106.344   4.7346   95.329   11.119 11.01542 12.08496 
1 1 1   10    3    0 o   46.087   5.9440  340.060   79.788  340.060   79.788  340.060   79.788   46.087   5.9440   46.087   5.9440 0.000000 0.000000 
1 1 1   10    3    1 o  228.902   4.3361  7998.22  302.944  7900.67  329.047  8540.86  776.102  227.496   4.7388  236.389   10.757 -8.892288 11.75418 
1 1 1   10    3    2 o  288.235   10.587 12697.65  931.366 12411.69  1597.04 12845.02  1146.52  283.943   18.529  289.796   12.962 -5.853851 22.61290 
1 1 1   10    3    3 o  521.938   8.7425 41616.30  1392.74 40570.81  1579.58 45268.01  2952.08  515.257   10.044  543.493   17.796 -28.23627 20.43453 
1 1 1   10    3    4 o  195.839   4.0728  5854.40  243.451  5951.39  344.388  5757.53  344.196  197.434   5.7149  194.190   5.8071 3.243607 8.147585 
1 1 1   10    3    5 f  509.194   12.521 39651.78  1945.93 38117.63  2108.72 48453.09  5050.78  499.130   13.842  559.418   29.687 -60.28824 32.75499 
1 1 1   10    3    6 o  336.589   7.9768 17304.51  819.491 16773.31  1509.66 17526.43  975.768  331.028   14.942  338.683   9.4392 -7.654999 17.67347 
1 1 1   10    3    7 o  181.346   3.6231  5019.75  200.540  4763.24  270.322  5333.71  299.064  176.638   5.0140  186.913   5.2421 -10.27542 7.253938 
1 1 1   10    3    8 o  210.186   5.3447  6744.75  342.885  6736.56  363.807  6809.87  1025.90  210.053   5.6745  210.256   16.109 -0.2026367 17.07878 
1 1 1   10    3    9 o  252.452   6.0136  9731.07  463.373 10492.02  797.985  9343.96  569.161  262.022   9.9779  247.344   7.5391 14.67766 12.50586 
1 1 1   10    3   10 o  579.038   8.7950 51223.63  1554.40 50825.29  2529.67 51465.25  1970.22  576.261   14.382  580.214   11.125 -3.952820 18.18302 
1 1 1   10    3   11 f  474.160   8.2469 34344.39  1193.53 32888.09  1686.24 35806.45  1689.57  463.756   11.913  483.933   11.439 -20.17657 16.51533 
1 1 1   10    3   12 o  337.752   7.6255 17423.88  786.109 17916.44  1544.00 17251.52  913.352  342.099   14.787  336.026   8.9053 6.072632 17.26150 
1 1 1   10    3   13 o  461.708   6.5679 32553.30  925.570 32106.46  1150.82 33371.76  1557.51  458.446   8.2244  467.216   10.922 -8.770081 13.67210 
1 1 1   10    3   14 o  703.934   16.108 75916.09  3460.84 76092.25  3750.10 74904.52  8986.30  704.516   17.440  689.932   42.886 14.58325 46.29597 
1 1 1   10    3   15 o  626.560   11.953 60043.60  2285.91 60043.60  2285.91   0.0000   0.0000  626.560   11.953  ?   ?  0.000000 11.95308 
1 1 1   10    3   16 o  591.296   14.789 53543.80  2669.12 56856.96  4891.43 52138.98  3185.11  607.012   26.401  583.016   17.899 23.99536 31.89652 
1 1 1   10    3   17 o  340.781   7.8095 17741.03  812.303 17044.43  941.426 19770.85  1607.02  333.956   9.2359  359.289   14.654 -25.33261 17.32185 
1 1 1   10    3   18 o  582.632   13.238 51964.62  2354.15 51607.84  6091.43 52027.27  2552.47  574.423   34.909  582.827   14.348 -8.403748 37.74252 
1 1 1   10    3   19 f  136.796   5.8802  2857.68  245.516  2618.68  351.021  3086.58  343.525  130.598   8.8584  141.908   7.9633 -11.31013 11.91158 
1 1 1   10    3   20 o  245.785   4.0660  9222.35  305.028  9151.25  389.456  9335.18  490.597  244.809   5.2121  247.220   6.5017 -2.410370 8.332931 
1 1 1   10    3   21 o  189.463   2.9065  5479.22  168.081  5764.02  236.339  5187.74  239.090  194.309   3.9850  184.336   4.2495 9.973557 5.825642 
1 1 1   10    3   22 o   81.366   3.6540  1010.68   90.745  1019.28  116.035  997.146  145.608   81.569   4.6803   80.577   5.9628 0.9916687 7.580256 
1 1 1   10    3   23 o  227.594   4.0119  7908.63  278.698  8020.87  455.489  7841.47  352.352  229.120   6.5132  226.595   5.0946 2.525467 8.269059 
1 1 1   10    3   24 o  284.347   4.7053 12347.59  408.366 11635.33  665.961 12776.79  516.966  275.852   7.9096  289.193   5.8568 -13.34033 9.841930 
1 1 1   10    3   25 o  326.196   8.5800 16279.53  854.241 16218.78  935.804 16583.15  2092.12  325.503   9.4192  326.500   21.107 -0.9969788 23.11298 
1 1 1   10    3   26 o  246.162   7.5598  9267.71  568.003   0.0000   0.0000  9267.71  568.003  ?   ?   246.162   7.5598 0.000000 7.559832 
1 1 1   10    3   27 o  306.850   6.9063 14397.87  646.826 14668.47  1279.95 14305.06  749.585  308.846   13.578  305.752   8.0322 3.093262 15.77584 
1 1 1   10    3   28 o  348.435   8.7484 18591.33  930.400 18175.20  1107.41 19589.96  1715.52  344.249   10.539  356.309   15.774 -12.05957 18.97136 
1 1 1   10    3   29 o  438.576   7.9690 29442.41  1066.75 29495.75  1510.62 29389.35  1506.62  438.314   11.292  437.525   11.282 0.7890625 15.96181 
1 1 1   10    3   30 o  185.954   4.8577  5283.27  275.710  5358.52  795.098  5272.99  293.949  185.949   14.114  185.758   5.1845 0.1912231 15.03648 
1 1 1   10    3   31 o  338.664   7.6831 17557.08  794.187 17263.13  921.482 18406.04  1565.99  335.627   8.9952  345.314   14.858 -9.687286 17.36868 
1 1 1   10    3   32 o  205.299   2.7385  6434.83  171.602  6788.91  329.332  6302.87  201.052  210.765   5.1194  203.166   3.2422 7.598358 6.059715 
1 1 1   10    3   33 o  634.795   12.057 62004.70  2336.18 61532.06  4207.62 62215.34  2808.92  626.419   22.007  634.714   14.499 -8.294312 26.35377 
1 1 1   10    3   34 o  321.671   5.4754 15819.07  537.580 15714.10  607.563 16197.59  1153.74  320.520   6.2104  324.483   11.649 -3.962494 13.20136 
1 1 1   10    3   35 o  322.648   4.9919 15911.53  491.598 16184.08  763.571 15718.59  642.458  325.055   7.6962  320.505   6.5674 4.549896 10.11739 
1 1 1   10    3   36 o  287.426   4.5183 12624.25  396.388 12781.78  635.060 12523.71  507.354  288.924   7.2014  286.157   5.8088 2.766357 9.252145 
1 1 1   10    3   37 o  468.438   6.9423 33594.25  992.597 33848.02  1587.28 33431.28  1271.99  469.058   11.087  466.819   8.9273 2.238525 14.23429 
1 1 1   10    3   38 o  309.374   7.9092 14668.07  746.847 15771.33  2010.67 14491.49  804.397  316.219   20.951  307.394   8.5735 8.824493 22.63725 
1 1 1   10    3   39 o  190.948   7.2467  5584.27  422.350  6082.18  924.470  5452.94  474.796  197.460   15.462  188.590   8.2484 8.870224 17.52497 
1 1 1   10    3   40 o   83.276   3.0611  1059.04   77.807  965.923  167.837  1084.52   87.814   79.115   7.0235   84.266   3.4142 -5.151283 7.809390 
1 1 1   10    3   41 o  140.293   3.2291  3005.88  138.270  3321.81  233.104  2834.38  171.747  147.398   5.1813  136.201   4.1314 11.19701 6.626801 
1 1 1   10    3   42 o  165.582   4.6457  4190.60  234.793  4275.84  504.237  4167.00  265.310  166.507   9.9675  165.079   5.2656 1.427795 11.27288 
1 1 1   10    3   43 o  405.491   7.1335 25186.74  882.876 26124.74  1203.38 24093.26  1299.28  412.360   9.5611  395.651   10.759 16.70898 14.39348 
1 1 1   10    3   44 o  280.457   4.0748 12019.13  348.812 12633.04  451.355 11108.81  549.625  287.421   5.1450  269.336   6.6858 18.08499 8.436288 
1 1 1   10    3   45 o  251.578   3.5256  9668.73  270.721 10209.24  385.280  9141.62  380.481  258.394   4.8851  244.489   5.0987 13.90474 7.061224 
1 1 1   10    3   46 o  290.027   3.6382 12851.67  322.067 13320.11  418.740 12173.21  503.947  295.159   4.6481  282.012   5.8546 13.14697 7.475382 
1 1 1   10    3   47 o  134.151   2.9891  2748.72  122.389  2731.18  157.698  2775.30  194.080  133.685   3.8648  134.714   4.7201 -1.029694 6.100489 
1 1 1   10    3   48 o  129.766   3.0074  2572.16  119.117  2351.93  197.200  2698.68  149.466  123.974   5.2115  132.889   3.6850 -8.914680 6.382676 
1 1 1   10    3   49 o  167.340   3.0017  4277.70  153.314  4566.25  217.446  3992.45  216.198  172.817   4.1224  161.575   4.3839 11.24213 6.017690 
1 1 1   10    3   50 o  205.651   5.1675  6474.81  324.362  7115.57  602.319  6213.09  384.949  214.853   9.1847  201.302   6.2652 13.55127 11.11813 
1 1 1   10    3   51 o  390.072   5.9650 23329.53  710.183 23131.98  1233.31 23427.53  868.654  386.555   10.453  390.441   7.2891 -3.886810 12.74355 
1 1 1   10    3   52 o   91.334   2.9916  1274.75   83.397  1041.68  416.178  1284.50   85.123   79.385   17.635   91.681   3.0420 -12.29562 17.89498 
1 1 1   10    3   53 o   90.056   2.8547  1239.37   78.466  1114.04  139.046  1297.94   95.047   85.066   5.3831   92.134   3.3799 -7.068207 6.356179 
1 1 1   10    3   54 o   61.978   3.6519  589.743   68.778  636.257  109.142  559.105   88.579   64.133   5.6327   60.199   4.8624 3.934486 7.441128 
1 1 1   10    3   55 o  166.215   4.4863  4234.59  227.603  4294.85  246.467  3885.55  593.197  167.336   4.8256  156.481   12.525 10.85471 13.42235 
1 1 1   10    3   56 o   48.365   6.1438  365.867   88.649  389.994  104.406  303.533  167.816   49.772   7.0714   43.210   12.193 6.562050 14.09524 
1 1 1   10    3   57 o   20.893   7.1140   62.418   54.306  150.600   89.558   11.140   68.293   30.774   8.9787   17.984   7.4951 12.78939 11.69590 
1 1 1   10    4    0 o  388.701   10.887 23131.61  1289.34 23131.61  1289.34 23131.61  1289.34  388.701   10.887  388.701   10.887 0.000000 0.000000 
1 1 1   10    4    1 o  454.492   6.9140 31544.11  959.114 31917.29  1156.24 30720.85  1717.34  457.108   8.2872  448.192   12.554 8.916626 15.04251 
1 1 1   10    4    2 o  473.932   7.0049 34300.94  1013.29 32842.08  1260.15 36969.97  1704.48  463.650   8.9046  491.762   11.356 -28.11154 14.43081 
1 1 1   10    4    3 o  276.681   5.3227 11687.20  449.497 11792.63  636.359 11582.21  635.013  277.873   7.5031  275.382   7.5549 2.491699 10.64767 
1 1 1   10    4    4 o  726.153   9.6594 80573.60  2140.89 79342.36  2536.79 83620.86  3990.88  720.390   11.537  738.658   17.701 -18.26837 21.12929 
1 1 1   10    4    5 o  377.911   11.552 21835.07  1332.46 20732.65  1885.81 22934.16  1882.96  367.875   16.795  386.988   15.941 -19.11227 23.15601 
1 1 1   10    4    6 o  228.138   4.4204  7945.06  307.803  7802.68  436.395  8086.02  434.211  226.053   6.3249  230.123   6.1819 -4.070602 8.844239 
1 1 1   10    4    7 o  190.956   3.4554  5565.77  201.397  5526.91  243.452  5650.01  358.468  190.281   4.1918  192.362   6.1054 -2.081238 7.405884 
1 1 1   10    4    8 o  288.986   5.5358 12750.47  488.290 12109.83  659.565 13527.41  726.347  281.577   7.6744  297.591   7.9966 -16.01428 11.08342 
1 1 1   10    4    9 o   92.166   6.6450  1303.92  185.680  1254.52  214.647  1450.78  370.106   90.285   7.8679   96.540   12.882 -6.255341 15.09446 
1 1 1   10    4   10 o  384.181   6.8737 22539.88  806.018 21869.43  1137.19 23216.71  1142.59  378.290   9.8490  389.782   9.6040 -11.49142 13.75643 
1 1 1   10    4   11 o  202.963   3.8383  6288.01  237.777  6000.90  408.464  6435.17  292.432  198.231   6.7509  205.314   4.6665 -7.082748 8.206789 
1 1 1   10    4   12 o  563.072   8.6149 48438.21  1480.58 48708.34  2411.10 48274.68  1875.93  564.136   14.003  561.934   10.937 2.202332 17.76810 
1 1 1   10    4   13 o  268.393   6.4480 11000.17  528.217 10901.15  608.676 11302.19  1063.04  267.154   7.4646  271.803   12.814 -4.648895 14.82954 
1 1 1   10    4   14 o  488.393   13.395 36502.78  1996.76 36502.78  1996.76   0.0000   0.0000  488.393   13.395  ?   ?  0.000000 13.39491 
1 1 1   10    4   15 o  402.563   24.961 25069.84  3051.81 25069.84  3051.81   0.0000   0.0000  402.563   24.961  ?   ?  0.000000 24.96051 
1 1 1   10    4   16 o  212.139   4.7364  6870.50  306.678  7084.45  434.804  6658.69  432.622  215.378   6.6142  208.802   6.7882 6.576233 9.477710 
1 1 1   10    4   17 o  351.386   9.0701 18870.19  972.773 18860.61  1069.25 18916.18  2343.40  351.244   9.9736  349.914   22.054 1.330872 24.20477 
1 1 1   10    4   18 o  104.229   10.977  1679.90  343.961  1659.39  564.693  1691.99  433.700  102.365   18.765  104.185   13.992 -1.819862 23.40760 
1 1 1   10    4   19 o  123.112   3.7945  2313.70  142.583  2859.89  615.513  2282.73  146.570  135.760   15.111  122.284   3.9270 13.47687 15.61246 
1 1 1   10    4   20 o  276.140   5.2773 11644.05  444.793 11440.60  628.524 11848.16  629.541  273.632   7.5255  278.469   7.4068 -4.836548 10.55909 
1 1 1   10    4   21 o  167.393   3.4154  4277.43  174.498  4271.30  217.209  4288.59  293.035  167.260   4.2547  167.569   5.7294 -0.3088989 7.136403 
1 1 1   10    4   22 o  175.959   2.8337  4726.10  152.188  4805.78  213.919  4644.44  216.559  177.419   3.9503  174.413   4.0680 3.005768 5.670425 
1 1 1   10    4   23 o   98.153   3.1371  1470.68   93.982  1356.50  134.298  1580.27  131.566   94.249   4.6685  101.732   4.2371 -7.482903 6.304586 
1 1 1   10    4   24 o  645.299   10.450 63777.04  2058.18 63147.67  5133.42 63897.59  2246.66  635.995   26.445  645.690   11.400 -9.694580 28.79702 
1 1 1   10    4   25 o  299.635   8.3554 13736.54  764.146 13179.58  1201.41 14114.94  990.270  292.908   13.438  303.489   10.690 -10.58057 17.17180 
1 1 1   10    4   26 o  174.069   4.1282  4627.27  219.329  4395.36  322.718  4826.35  298.995  169.577   6.2350  177.727   5.5118 -8.149811 8.322008 
1 1 1   10    4   27 o  345.056   8.4439 18226.48  889.299 18205.48  1058.20 18276.96  1640.83  344.635   10.060  344.255   15.616 0.3800049 18.57568 
1 1 1   10    4   28 o  388.848   7.8146 23140.04  927.482 23583.73  1379.63 22774.17  1252.83  391.911   11.533  385.298   10.653 6.613312 15.70064 
1 1 1   10    4   29 o  651.436   22.394 66332.79  4452.61 66457.23  5456.95 66084.91  7701.88  648.091   27.587  632.971   40.072 15.11981 48.64966 
1 1 1   10    4   30 o  185.248   4.3098  5242.06  243.685  4833.13  362.263  5580.02  329.331  177.759   6.6769  191.062   5.6473 -13.30309 8.744897 
1 1 1   10    4   31 o  356.845   5.2065 19461.22  567.075 18917.27  1085.43 19665.43  665.055  351.121   10.128  358.619   6.0759 -7.497925 11.81076 
1 1 1   10    4   32 o  164.330   2.9051  4123.09  145.712  4293.83  245.589  4030.33  181.017  167.630   4.8000  162.449   3.6508 5.181183 6.030588 
1 1 1   10    4   33 o   66.804   3.1883  681.478   65.010  621.371   84.269  769.841  102.173   63.624   4.3658   70.819   4.7544 -7.194378 6.454807 
1 1 1   10    4   34 o   38.806   2.9065  231.232   34.176  315.962   69.241  203.941   39.296   45.178   5.1112   36.366   3.5870 8.812607 6.244294 
1 1 1   10    4   35 f  241.344   4.3793  8899.87  322.593  9400.10  458.121  8407.87  454.335  247.898   6.0547  234.423   6.3498 13.47513 8.773746 
1 1 1   10    4   36 o  312.757   5.0490 14952.66  481.985 15371.71  598.955 14182.70  811.876  316.978   6.1908  304.096   8.7470 12.88132 10.71621 
1 1 1   10    4   37 f  138.891   3.1361  2945.89  132.948  2891.62  228.793  2973.55  163.357  137.515   5.4510  139.518   3.8361 -2.003799 6.665521 
1 1 1   10    4   38 o  333.908   7.1880 17074.83  732.572 17793.85  1256.06 16704.17  901.840  339.780   12.111  329.947   8.9550 9.833038 15.06254 
1 1 1   10    4   39 o  250.795   6.1486  9623.83  470.667 11369.78  1010.43  9140.02  531.896  271.573   12.190  244.301   7.1332 27.27182 14.12366 
1 1 1   10    4   40 o   87.858   4.8164  1183.42  128.665  1455.32  255.751  1091.29  148.877   97.012   8.7308   84.264   5.8243 12.74790 10.49520 
1 1 1   10    4   41 o  218.084   4.8196  7270.10  320.812  7556.94  412.004  6828.35  511.302  222.238   6.0739  211.061   7.9369 11.17734 9.994346 
1 1 1   10    4   42 o  184.346   3.0563  5189.75  171.967  5410.38  284.395  5062.57  215.912  188.121   4.9530  182.035   3.8860 6.085373 6.295491 
1 1 1   10    4   43 o  140.577   3.0594  3017.99  131.271  3220.27  167.877  2699.68  210.592  145.184   3.7884  132.870   5.1928 12.31490 6.427808 
1 1 1   10    4   44 o  349.542   4.4987 18675.62  479.961 19521.29  680.707 17839.52  676.843  357.107   6.2452  341.335   6.4967 15.77161 9.011590 
1 1 1   10    4   45 o  260.980   3.6863 10406.15  293.636 10968.27  418.024  9858.63  412.559  267.797   5.1142  253.867   5.3243 13.93042 7.382646 
1 1 1   10    4   46 o  217.168   3.2098  7204.00  212.758  7705.64  304.762  6727.10  297.152  224.508   4.4475  209.753   4.6415 14.75529 6.428289 
1 1 1   10    4   47 o  219.301   3.1390  7346.35  210.113  7797.94  258.326  6463.63  361.169  225.896   3.7466  205.477   5.7588 20.41847 6.870278 
1 1 1   10    4   48 o  139.750   2.8082  2982.90  119.784  3311.27  214.728  2834.55  144.327  147.128   4.7816  136.201   3.4717 10.92709 5.909055 
1 1 1   10    4   49 o  104.707   3.8739  1675.97  123.807  1852.97  430.384  1660.00  129.271  108.366   13.291  104.198   4.0646 4.167786 13.89828 
1 1 1   10    4   50 o  102.626   3.3186  1609.49  103.953  1576.90  195.987  1622.25  122.623  101.201   6.3775  103.006   3.9003 -1.804802 7.475622 
1 1 1   10    4   51 o  151.103   2.5562  3487.52  117.894  3608.98  160.132  3343.77  174.210  153.658   3.4143  147.872   3.8598 5.785995 5.153255 
1 1 1   10    4   52 o  156.220   3.8514  3732.85  183.641  3845.07  273.844  3641.15  247.557  158.343   5.6661  154.139   5.2620 4.204422 7.732605 
1 1 1   10    4   53 f   96.059   3.5148  1411.22  103.052  1524.34  157.107  1325.79  136.527   99.577   5.1871   92.894   4.8318 6.682724 7.088896 
1 1 1   10    4   54 o  185.411   4.1134  5263.84  232.783  5277.14  253.463  5192.17  588.381  185.588   4.4745  182.144   10.630 3.444504 11.53300 
1 1 1   10    4   55 o   71.478   4.1392  785.280   89.917  773.157   95.898  873.474  258.656   70.882   4.4553   73.648   11.913 -2.766235 12.71914 
1 1 1   10    4   56 f  239.855   11.705  9080.62  856.894  9625.16  1263.40  8616.72  1166.10  241.843   17.228  229.192   16.786 12.65060 24.05377 
1 1 1   10    4   57 o   34.382   10.959  183.864  129.620  316.372  452.270  172.005  135.296   50.839   19.958   33.741   11.228 17.09782 22.89956 
1 1 1   10    5    0 o  634.266   12.199 61529.65  2359.62 61529.65  2359.62 61529.65  2359.62  634.266   12.199  634.266   12.199 0.000000 0.000000 
1 1 1   10    5    1 o  381.368   6.8823 22210.56  801.121 22133.64  838.407 23018.14  2716.59  380.695   7.2154  386.267   23.149 -5.571350 24.24713 
1 1 1   10    5    2 o  523.477   9.1766 41868.35  1466.22 41622.93  1534.70 44435.48  4963.61  521.909   9.6341  535.340   30.504 -13.43091 31.98895 
1 1 1   10    5    3 o  361.235   8.2918 19933.27  914.229 19360.59  1061.87 21573.91  1797.30  355.942   9.7740  375.347   15.688 -19.40540 18.48373 
1 1 1   10    5    4 o  214.391   5.0238  7017.05  328.741  6847.18  374.077  7593.21  688.928  211.768   5.7874  222.900   10.126 -11.13162 11.66335 
1 1 1   10    5    5 o  365.262   8.5528 20381.69  953.516 19684.98  1107.62 22376.00  1873.96  358.892   10.111  382.223   16.063 -23.33078 18.98049 
1 1 1   10    5    6 o  349.464   12.196 18676.69  1300.92 17346.46  2245.99 19348.29  1595.88  335.284   22.071  355.524   14.707 -20.24008 26.52159 
1 1 1   10    5    7 o  502.901   11.480 38668.91  1762.20 41313.45  3233.35 37551.50  2101.77  518.769   20.420  495.367   13.901 23.40216 24.70271 
1 1 1   10    5    8 o  802.293   17.085 98641.62  4183.63 99523.43  4534.86 93601.41 10841.80  805.594   18.443  770.166   46.337 35.42834 49.87223 
1 1 1   10    5    9 o  689.402   15.445 72782.17  3250.04 72767.50  3522.61 72866.15  8426.26  689.125   16.748  681.762   40.679 7.362549 43.99140 
1 1 1   10    5   10 o  606.982   14.494 56398.97  2685.22 55928.70  2910.64 59086.99  6958.81  604.274   15.781  614.962   37.250 -10.68781 40.45469 
1 1 1   10    5   11 o  927.170   16.922 131750.20  4788.89 131008.80  5036.55 138737.70 15462.08  924.336   17.852  931.630   54.615 -7.294128 57.45829 
1 1 1   10    5   12 o  353.289   6.5443 19060.31  705.689 19090.95  997.138 19029.57  998.853  353.459   9.2427  352.888   9.2736 0.5701904 13.09301 
1 1 1   10    5   13 o  366.650   16.066 20598.50  1797.90 20460.11  2551.37 20735.00  2533.94  363.927   23.089  366.434   22.769 -2.507324 32.42673 
1 1 1   10    5   14 o  748.399   20.174 86037.38  4608.42 86037.38  4608.42   0.0000   0.0000  748.399   20.174  ?   ?  0.000000 20.17447 
1 1 1   10    5   15 o  284.243   8.3527 12344.47  724.658 12344.47  724.658   0.0000   0.0000  284.243   8.3527  ?   ?  0.000000 8.352691 
1 1 1   10    5   16 f  422.811   6.8215 27304.37  880.323 26938.61  1079.09 28032.16  1522.17  419.880   8.4201  428.075   11.650 -8.195465 14.37427 
1 1 1   10    5   17 o  435.093   6.9021 28915.64  916.601 27043.21  1542.42 29937.89  1139.67  420.396   12.021  442.621   8.4358 -22.22595 14.68534 
1 1 1   10    5   18 o  257.236   3.3913 10100.65  266.267 10578.01  480.454  9889.04  319.885  263.182   5.9811  254.514   4.1178 8.668106 7.261516 
1 1 1   10    5   19 o  771.599   13.578 91216.55  3197.83 88210.47  4978.68 93327.70  4172.27  756.530   21.561  779.459   17.537 -22.92908 27.79275 
1 1 1   10    5   20 o  447.118   6.6675 30541.01  909.919 30518.26  1189.70 30573.09  1412.41  446.786   8.7241  447.026   10.352 -0.2391052 13.53764 
1 1 1   10    5   21 f  624.238   10.814 59649.09  2060.44 57893.45  3039.14 61142.49  2802.98  613.823   16.221  631.231   14.548 -17.40814 21.78970 
1 1 1   10    5   22 o  176.390   3.3038  4749.77  177.871  4593.33  301.458  4833.33  220.307  173.407   5.6956  177.921   4.0568 -4.513565 6.992714 
1 1 1   10    5   23 o  443.757   6.7378 30096.17  912.605 28805.11  1634.81 30680.63  1099.94  433.389   12.359  447.906   8.0457 -14.51740 14.74689 
1 1 1   10    5   24 o  329.850   6.3365 16627.90  637.948 15858.93  991.195 17171.70  833.539  321.781   10.092  335.044   8.1509 -13.26315 12.97259 
1 1 1   10    5   25 o  273.818   5.5780 11456.13  466.185 10906.37  722.063 11849.09  610.469  266.920   8.8629  278.363   7.1851 -11.44293 11.40953 
1 1 1   10    5   26 o  214.955   3.8434  7055.91  252.163  6966.41  319.555  7203.61  410.520  213.546   4.9027  217.085   6.1957 -3.539200 7.900829 
1 1 1   10    5   27 o  244.539   4.9410  9136.12  368.792 10006.32  1249.03  9053.01  386.001  254.062   16.191  243.410   5.1956 10.65233 17.00454 
1 1 1   10    5   28 o  121.291   4.5759  2247.37  169.403  2282.71  550.569  2243.67  178.040  120.704   15.287  121.184   4.8134 -0.4803696 16.02674 
1 1 1   10    5   29 o   41.278   7.1761  268.214   87.130  269.681  100.896  263.909  172.792   41.234   8.3041   41.340   12.574 -0.1064796 15.06880 
1 1 1   10    5   30 o  336.537   7.3086 17332.54  750.734 17049.24  924.913 17879.61  1285.28  333.523   9.0857  340.928   12.351 -7.405548 15.33325 
1 1 1   10    5   31 o  332.286   7.0545 16896.26  715.479 15729.25  1502.81 17238.32  813.605  318.973   15.436  335.511   7.9449 -16.53815 17.36055 
1 1 1   10    5   32 o  510.021   6.7460 39800.57  1050.15 38299.62  2008.01 40365.65  1232.07  498.492   13.197  513.391   7.8627 -14.89941 15.36214 
1 1 1   10    5   33 o  393.440   6.9576 23691.42  835.517 22125.08  1230.77 25030.26  1137.89  379.487   10.626  403.964   9.2287 -24.47739 14.07399 
1 1 1   10    5   34 o  328.495   4.3751 16487.64  438.667 16353.39  635.816 16609.59  605.995  326.938   6.3716  329.533   6.0249 -2.594696 8.769114 
1 1 1   10    5   35 o   41.169   3.8050  261.106   47.271  307.436   98.045  247.074   53.957   44.192   7.5394   39.958   4.5026 4.233391 8.781570 
1 1 1   10    5   36 o  509.680   7.5320 39792.68  1171.72 39987.39  1502.25 39490.22  1872.34  510.318   9.6446  506.244   12.117 4.073792 15.48709 
1 1 1   10    5   37 o  235.561   4.2579  8478.59  306.136  8721.64  500.127  8332.95  387.138  238.681   6.8651  233.440   5.4334 5.241257 8.755080 
1 1 1   10    5   38 o  111.621   3.9983  1903.49  136.219  1908.46  195.548  1898.80  189.863  111.553   5.7629  111.284   5.6077 0.2686005 8.041003 
1 1 1   10    5   39 o  276.284   6.3771 11681.83  537.772 11718.57  610.856 11555.25  1133.80  276.607   7.2353  273.436   13.585 3.170837 15.39176 
1 1 1   10    5   40 o  388.447   7.8706 23126.90  933.157 23094.07  2065.46 23135.31  1046.00  384.890   17.582  388.303   8.8256 -3.412903 19.67253 
1 1 1   10    5   41 o  252.709   3.4580  9754.29  266.725 10207.13  381.849  9322.83  372.728  258.403   4.8415  246.947   4.9451 11.45590 6.920506 
1 1 1   10    5   42 o  156.094   3.0060  3720.87  143.215  4170.86  241.048  3475.35  178.048  165.179   4.7811  150.823   3.8677 14.35625 6.149654 
1 1 1   10    5   43 o  264.705   3.9955 10706.30  322.814 11710.61  520.089 10076.92  411.723  276.610   6.1602  256.692   5.2550 19.91766 8.097107 
1 1 1   10    5   44 o  354.962   5.0634 19268.35  548.587 19815.97  691.690 18339.81  900.685  359.769   6.2990  345.650   8.5373 14.11850 10.60954 
1 1 1   10    5   45 o  141.613   3.6703  3064.02  158.644  3006.32  224.927  3121.14  223.791  140.189   5.2567  142.849   5.1327 -2.659760 7.346932 
1 1 1   10    5   46 f  230.785   3.5323  8137.58  248.821  8433.07  323.460  7709.29  389.421  234.854   4.5124  224.428   5.6849 10.42596 7.258098 
1 1 1   10    5   47 o  156.779   4.1608  3757.46  199.106  4382.42  369.087  3500.94  236.464  169.036   7.1537  151.267   5.1216 17.76994 8.798088 
1 1 1   10    5   48 o   81.047   3.4838  1003.74   86.181  1322.39  156.946  866.188  103.118   92.769   5.5686   75.122   4.5183 17.64756 7.171066 
1 1 1   10    5   49 o  215.894   3.8381  7125.34  252.916  7655.32  318.933  6227.35  415.152  223.687   4.6713  201.473   6.7511 22.21396 8.209651 
1 1 1   10    5   50 f  200.737   3.6468  6159.94  223.439  6512.16  276.113  5491.65  380.330  206.319   4.3846  189.175   6.5869 17.14388 7.912766 
1 1 1   10    5   51 o   85.307   2.7534  1111.79   71.693  1060.57  111.590  1147.80   93.556   83.133   4.4136   86.647   3.5375 -3.514641 5.656337 
1 1 1   10    5   52 o   86.901   3.6533  1154.95   96.901  1283.49  152.168  1067.26  125.678   91.327   5.4843   83.316   4.9646 8.010338 7.397670 
1 1 1   10    5   53 o  130.301   3.7828  2597.79  150.446  2804.88  222.739  2424.04  204.017  135.214   5.3971  125.710   5.3172 9.504356 7.576326 
1 1 1   10    5   54 o  124.928   2.9624  2386.10  112.960  2648.75  197.359  2258.14  137.755  131.415   4.9203  121.469   3.7156 9.946594 6.165625 
1 1 1   10    5   55 o   53.464   4.3462  440.996   70.309  455.252   78.402  382.450  158.886   54.266   4.7824   48.464   10.994 5.802147 11.98885 
1 1 1   10    5   56 o  128.698   4.1513  2539.02  163.071  2642.44  188.981  2237.53  322.666  131.208   4.7189  119.552   8.9065 11.65575 10.07936 
1 1 1   10    5   57 o  152.503   4.3907  3568.84  204.374  3722.55  438.489  3526.18  230.999  153.996   9.3735  151.466   4.9966 2.530045 10.62212 
1 1 1   10    6    0 o  142.198   12.524  3160.59  533.886  3160.59  533.886  3160.59  533.886  142.198   12.524  142.198   12.524 0.000000 0.000000 
1 1 1   10    6    1 o  537.045   9.5852 44073.13  1571.19 43886.35  1644.72 46023.11  5314.29  535.871   10.056  544.278   32.132 -8.407349 33.66870 
1 1 1   10    6    2 o  260.443   6.2117 10357.42  493.786 10299.84  529.217 10744.75  1372.60  259.707   6.6762  264.246   17.110 -4.538910 18.36658 
1 1 1   10    6    3 o  540.720   9.7097 44680.20  1602.49 44662.06  2181.41 44701.47  2361.86  540.301   13.228  540.424   14.319 -0.1229858 19.49347 
1 1 1   10    6    4 o  521.003   15.458 41567.09  2458.20 42331.15  3476.87 40803.42  3475.98  524.903   21.702  515.280   22.101 9.622925 30.97456 
1 1 1   10    6    5 o  990.285   22.648 150763.91  6845.38 152466.70 17728.70 150465.50  7420.88  973.118   59.981  988.657   24.592 -15.53955 64.82687 
1 1 1   10    6    6 o  867.965   20.447 115667.50  5417.00 120258.00 14029.52 114863.30  5872.40  868.671   53.170  864.462   22.256 4.208801 57.64013 
1 1 1   10    6    7 o  243.987   6.4301  9090.41  478.853  8880.59  517.674 10334.07  1260.33  241.141   7.0334  259.247   16.006 -18.10651 17.48318 
1 1 1   10    6    8 o  684.200   18.856 71816.89  3937.68 71315.48  4547.24 73320.05  7873.26  681.194   21.871  684.968   37.805 -3.774658 43.67559 
1 1 1   10    6    9 o  351.351   5.0965 18846.79  546.552 18596.81  680.547 19300.92  917.288  348.974   6.3892  355.438   8.4552 -6.463501 10.59778 
1 1 1   10    6   10 o  238.918   4.9569  8714.57  361.475  8801.38  492.253  8612.98  532.524  240.067   6.7180  237.468   7.3471 2.599228 9.955471 
1 1 1   10    6   11 o  737.652   18.296 83473.14  4119.36 87428.79  9855.61 82635.80  4534.44  744.820   43.542  733.514   20.253 11.30524 48.02209 
1 1 1   10    6   12 o  1107.53   20.944 188507.20  7079.97 187223.30 10012.83 189791.09 10012.35  1099.82   29.827  1107.45   29.621 -7.623657 42.03648 
1 1 1   10    6   13 o  575.028   15.630 50664.98  2743.26 50664.98  2743.26   0.0000   0.0000  575.028   15.630  ?   ?  0.000000 15.63006 
1 1 1   10    6   14 o  401.553   11.200 24660.62  1372.66 24660.62  1372.66   0.0000   0.0000  401.553   11.200  ?   ?  0.000000 11.19959 
1 1 1   10    6   15 o  881.092   21.525 119457.20  5788.84 119457.20  5788.84   0.0000   0.0000  881.092   21.525  ?   ?  0.000000 21.52549 
1 1 1   10    6   16 o  149.886   3.7197  3429.43  170.171  4051.16  246.496  2863.30  235.217  162.891   4.9579  136.934   5.6278 25.95682 7.500217 
1 1 1   10    6   17 f  116.784   3.7247  2081.98  132.767  2073.30  209.278  2087.82  171.755  116.366   5.9116  116.937   4.8122 -0.5709991 7.622634 
1 1 1   10    6   18 o  710.087   12.953 77229.74  2807.38 75028.80  4176.04 79044.60  3792.12  698.270   19.594  717.360   17.319 -19.09021 26.15114 
1 1 1   10    6   19 o  505.159   7.9683 39002.91  1228.60 37307.41  2203.43 39767.87  1480.03  493.178   14.638  509.926   9.5092 -16.74875 17.45546 
1 1 1   10    6   20 o  650.025   8.5131 64605.45  1689.01 61675.61  2451.04 67254.77  2330.75  634.388   12.658  662.697   11.523 -28.30914 17.11762 
1 1 1   10    6   21 o  209.572   3.3776  6704.98  216.050  6514.88  312.909  6878.18  298.670  206.540   4.9636  212.231   4.6107 -5.691040 6.774634 
1 1 1   10    6   22 o  385.363   7.3692 22702.98  866.781 20969.96  1346.66 23928.78  1132.58  369.842   11.930  395.416   9.3842 -25.57407 15.17819 
1 1 1   10    6   23 o  156.108   3.1406  3720.38  149.641  3738.67  262.026  3711.53  182.292  156.435   5.4877  155.909   3.8307 0.5263214 6.692505 
1 1 1   10    6   24 o  121.175   3.2456  2241.78  120.041  2336.85  172.407  2152.32  167.238  123.693   4.5666  118.708   4.6157 4.985260 6.492939 
1 1 1   10    6   25 o  238.901   5.4806  8721.06  399.633  8725.47  488.376  8712.11  695.248  238.887   6.6980  238.472   9.5518 0.4145966 11.66618 
1 1 1   10    6   26 o  198.560   4.4721  6022.27  271.034  6082.15  381.154  5961.03  385.484  199.459   6.2608  197.455   6.3962 2.003525 8.950339 
1 1 1   10    6   27 o  303.121   6.1059 14047.00  564.919 13730.49  591.383 17347.76  1909.78  299.654   6.4659  333.867   18.818 -34.21222 19.89763 
1 1 1   10    6   28 o  394.779   6.0774 23828.00  732.294 23616.14  911.388 24213.94  1230.10  392.818   7.6014  397.316   10.143 -4.498688 12.67564 
1 1 1   10    6   29 o  357.943   5.9995 19589.51  655.456 19027.78  831.044 20514.10  1066.20  352.559   7.7228  365.772   9.5501 -13.21307 12.28199 
1 1 1   10    6   30 o  144.664   4.2902  3196.97  189.433  2872.40  275.927  3486.32  260.533  137.031   6.5972  151.013   5.6524 -13.98248 8.687459 
1 1 1   10    6   31 o  142.994   4.1940  3123.60  183.047  3373.65  407.574  3060.42  204.871  148.064   9.0622  141.521   4.7429 6.543259 10.22831 
1 1 1   10    6   32 o  122.770   4.1359  2302.55  154.981  2337.35  388.475  2295.97  169.013  122.926   10.453  122.582   4.5173 0.3437729 11.38736 
1 1 1   10    6   33 o  286.886   5.2101 12581.34  456.222 12981.65  672.085 12239.24  621.295  291.147   7.5630  282.745   7.1992 8.401367 10.44165 
1 1 1   10    6   34 o  353.808   5.3515 19138.65  577.914 18913.66  952.850 19269.58  726.868  351.161   8.8900  354.831   6.7115 -3.670135 11.13891 
1 1 1   10    6   35 o  129.670   2.5225  2567.13   99.834  2679.89  146.830  2470.19  136.148  132.458   3.6318  127.173   3.5075 5.284195 5.049020 
1 1 1   10    6   36 o  135.197   3.8539  2792.25  159.031  2637.73  235.629  2921.53  215.522  131.316   5.8789  138.240   5.1079 -6.923141 7.787912 
1 1 1   10    6   37 f  331.528   7.2241 16833.32  731.005 16591.83  779.256 18604.18  2110.18  329.052   7.7589  343.861   20.194 -14.80869 21.63361 
1 1 1   10    6   38 o   67.836   4.8546  707.005   99.850  691.000  130.262  729.808  155.480   66.884   6.4613   68.609   7.5496 -1.724388 9.937032 
1 1 1   10    6   39 o  161.365   4.9196  3980.46  242.301  3951.20  263.069  4144.13  622.201  160.745   5.3618  163.426   12.570 -2.680817 13.66582 
1 1 1   10    6   40 o  447.535   10.952 30824.88  1496.03 33831.55  3936.00 30317.17  1617.42  457.326   28.337  443.480   11.949 13.84570 30.75342 
1 1 1   10    6   41 o  244.941   5.0466  9173.01  377.291  9485.26  561.112  8915.33  509.723  248.814   7.3885  241.281   6.9214 7.532730 10.12403 
1 1 1   10    6   42 o  148.242   3.5179  3356.87  159.174  3472.54  244.364  3271.62  209.785  150.685   5.3131  146.295   4.6982 4.390457 7.092387 
1 1 1   10    6   43 o  366.278   5.2343 20518.36  585.181 21745.19  926.086 19702.92  755.013  376.516   8.0584  358.643   6.8972 17.87338 10.60707 
1 1 1   10    6   44 o  219.324   3.1745  7347.18  212.507  7924.26  297.514  6746.09  303.639  227.697   4.2809  210.053   4.7360 17.64320 6.384023 
1 1 1   10    6   45 o  390.343   5.6491 23318.33  673.042 24770.49  1036.72 22260.44  884.863  401.616   8.4574  380.951   7.6101 20.66486 11.37719 
1 1 1   10    6   46 f  317.482   4.6969 15414.44  455.145 16606.24  756.480 14738.22  569.820  328.991   7.5335  310.234   6.0177 18.75693 9.641905 
1 1 1   10    6   47 o  279.042   4.0880 11903.16  348.177 12356.94  495.695 11461.26  489.163  284.081   5.7168  273.569   5.8583 10.51196 8.185449 
1 1 1   10    6   48 o  161.953   3.4800  4008.15  172.020  4074.33  275.647  3965.94  220.151  163.118   5.5365  161.027   4.4792 2.090637 7.121531 
1 1 1   10    6   49 o   91.003   3.2852  1265.52   91.251  1377.85  159.915  1211.28  111.117   94.680   5.5580   89.000   4.0905 5.680222 6.901008 
1 1 1   10    6   50 o  309.582   5.0873 14676.99  480.706 14950.04  721.671 14459.21  644.497  311.794   7.5832  306.839   6.8817 4.954742 10.24025 
1 1 1   10    6   51 o  116.001   3.2517  2056.82  115.129  2219.50  189.643  1961.87  144.882  120.358   5.1623  113.233   4.1920 7.124298 6.650016 
1 1 1   10    6   52 o   93.420   6.2612  1346.58  177.500  1422.35  252.634  1272.70  249.443   95.540   8.7610   90.236   9.1848 5.303818 12.69317 
1 1 1   10    6   53 o   29.412   6.3014  138.052   54.865  145.611  103.484  135.096   64.708   30.842   9.7880   29.044   7.3060 1.797808 12.21400 
1 1 1   10    6   54 o  200.721   4.4302  6174.78  271.414  6622.42  405.248  5810.65  365.498  207.391   6.4020  194.328   6.1622 13.06335 8.885796 
1 1 1   10    6   55 o   82.528   4.6044  1047.99  115.521  1104.24  136.157  903.472  218.253   84.611   5.2990   75.508   9.6939 9.103310 11.04771 
1 1 1   10    6   56 o  151.266   3.6903  3504.82  170.382  3606.63  246.184  3411.22  236.048  153.156   5.2663  148.965   5.1916 4.191360 7.395049 
1 1 1   10    7    0 o  751.616   20.257 86675.96  4639.46 86675.96  4639.46 86675.96  4639.46  751.616   20.257  751.616   20.257 0.000000 0.000000 
1 1 1   10    7    1 o  399.354   6.4527 24353.88  786.526 24392.57  963.135 24276.44  1362.75  399.610   7.8965  398.473   11.205 1.137146 13.70766 
1 1 1   10    7    2 o  279.828   5.3915 11955.19  460.491 12730.39  1109.08 11793.72  506.184  288.483   12.596  277.919   5.9672 10.56433 13.93781 
1 1 1   10    7    3 o  733.540   11.218 82269.96  2511.72 80657.27  3182.98 84931.47  4089.05  725.883   14.366  744.224   18.001 -18.34003 23.03127 
1 1 1   10    7    4 o  455.673   15.434 31800.10  2146.65 29560.75  3712.99 32924.41  2630.92  436.710   28.003  463.289   18.605 -26.57880 33.62057 
1 1 1   10    7    5 o  327.813   7.4159 16413.33  742.009 16307.56  1472.01 16449.36  859.147  326.357   14.778  328.127   8.5784 -1.770416 17.08696 
1 1 1   10    7    6 o  651.350   10.817 64860.89  2150.58 62741.74  2927.13 67346.50  3170.14  640.102   14.982  663.072   15.664 -22.96918 21.67544 
1 1 1   10    7    7 o  827.774   17.749 105074.60  4484.38 111525.50  7193.18 100973.60  5735.34  849.874   27.730  810.085   23.196 39.78888 36.15245 
1 1 1   10    7    8 o  785.102   13.611 94338.05  3261.55 93659.06  3414.33 101419.90 11026.77  782.155   14.302  801.404   45.265 -19.24915 47.47042 
1 1 1   10    7    9 o  175.440   3.9683  4698.41  212.493  4765.21  257.311  4555.16  376.809  176.673   4.7717  172.696   7.1486 3.976425 8.594854 
1 1 1   10    7   10 o  584.188   11.201 52188.13  1997.26 51569.79  2824.82 52806.23  2824.28  580.113   15.954  587.055   15.762 -6.941956 22.42680 
1 1 1   10    7   11 o  827.726   26.322 105760.80  6649.89 109192.30 11524.85 104048.10  8141.98  830.509   45.640  818.521   32.590 11.98816 56.08108 
1 1 1   10    7   12 o  384.297   9.9076 22576.24  1162.13 23891.35  2798.53 22302.20  1277.48  393.138   23.428  381.885   10.960 11.25223 25.86527 
1 1 1   10    7   13 o   98.591   14.408  1520.01  420.779  1520.01  420.779   0.0000   0.0000   98.591   14.408  ?   ?  0.000000 14.40819 
1 1 1   10    7   14 o  525.635   10.058 42244.55  1613.66 42244.55  1613.66   0.0000   0.0000  525.635   10.058  ?   ?  0.000000 10.05800 
1 1 1   10    7   15 o  195.078   4.3112  5809.79  256.699  5763.45  351.450  5862.77  375.831  194.267   5.9272  195.925   6.2847 -1.658401 8.638809 
1 1 1   10    7   16 o  336.946   6.4757 17341.55  665.985 17003.55  902.271 17746.13  987.129  333.518   8.8634  340.682   9.4931 -7.163696 12.98764 
1 1 1   10    7   17 o  615.204   13.659 58002.95  2564.73 56160.37  6663.90 58323.33  2778.77  596.560   36.777  616.683   14.763 -20.12347 39.62971 
1 1 1   10    7   18 o  395.290   13.848 23959.09  1670.79 24803.17  2905.50 23542.08  2042.23  399.642   23.930  391.352   17.097 8.290649 29.40973 
1 1 1   10    7   19 o  296.104   5.0480 13389.86  456.228 13489.01  521.166 13064.73  943.785  297.168   5.7459  292.146   10.584 5.022491 12.04323 
1 1 1   10    7   20 o  444.000   8.0366 30143.04  1089.11 29350.54  1248.90 32659.14  2225.33  437.978   9.3424  460.892   15.819 -22.91476 18.37175 
1 1 1   10    7   21 o  481.922   9.1726 35541.45  1349.23 33129.23  2097.95 37242.86  1761.94  464.258   14.805  492.896   11.712 -28.63766 18.87756 
1 1 1   10    7   22 o  329.043   6.2278 16546.08  625.462 15746.96  969.516 17115.77  818.589  320.658   9.9059  334.507   8.0176 -13.84851 12.74398 
1 1 1   10    7   23 o  235.991   8.0051  8520.55  576.604  8301.94  1143.61  8595.06  667.682  231.482   16.290  236.923   9.2331 -5.441162 18.72474 
1 1 1   10    7   24 o  191.844   4.8502  5622.35  284.006  5525.20  627.065  5647.42  318.552  189.492   10.888  192.248   5.4288 -2.756042 12.16604 
1 1 1   10    7   25 o  199.255   5.2095  6066.49  316.827  5846.03  652.544  6134.49  362.411  194.883   11.015  200.333   5.9270 -5.450241 12.50873 
1 1 1   10    7   26 o  507.822   9.2271 39514.67  1430.19 39607.91  1504.29 38637.43  4614.02  508.314   9.6957  491.313   30.926 17.00085 32.41039 
1 1 1   10    7   27 o  410.426   7.3654 25776.38  922.679 25971.29  970.552 23945.55  2974.54  411.920   7.7195  389.316   25.167 22.60382 26.32423 
1 1 1   10    7   28 o  272.193   4.0466 11316.44  336.193 11541.70  478.002 11095.94  472.936  274.775   5.6995  269.412   5.7513 5.362518 8.097031 
1 1 1   10    7   29 o  623.601   9.6306 59644.48  1833.05 59736.69  3285.43 59602.80  2208.80  620.622   17.344  622.675   11.622 -2.052734 20.87776 
1 1 1   10    7   30 o  253.344   6.1586  9816.01  476.221 10052.63  1365.83  9783.27  508.107  253.826   17.741  252.883   6.5829 0.9430847 18.92313 
1 1 1   10    7   31 o   94.973   3.0871  1377.31   89.488  1291.42  155.297  1420.02  109.495   91.738   5.5726   96.422   3.7205 -4.683990 6.700459 
1 1 1   10    7   32 o   90.838   10.211  1282.96  278.194  1312.16  310.143  1162.72  629.310   91.690   11.323   84.580   23.523 7.110077 26.10577 
1 1 1   10    7   33 o  112.232   3.8772  1924.12  132.815  2063.49  190.987  1793.61  184.822  116.174   5.3861  108.157   5.6180 8.016792 7.782812 
1 1 1   10    7   34 o  256.964   8.7218 10127.05  684.063 10210.16  960.635 10041.56  974.334  257.403   12.227  255.211   12.508 2.191452 17.49164 
1 1 1   10    7   35 o  250.815   4.1053  9611.34  314.278  9657.47  545.400  9588.42  384.539  251.133   7.1153  250.445   5.0305 0.6878815 8.713991 
1 1 1   10    7   36 o  368.624   6.4544 20796.19  726.202 21091.21  1176.90 20614.80  922.835  370.392   10.410  366.685   8.2454 3.706421 13.28006 
1 1 1   10    7   37 o  133.837   3.5153  2735.95  143.602  2576.90  217.484  2858.90  191.210  129.809   5.4892  136.770   4.5804 -6.961594 7.149192 
1 1 1   10    7   38 o  125.559   4.2881  2409.00  164.335  2422.42  176.182  2319.15  455.843  125.897   4.5849  122.012   12.413 3.884346 13.23291 
1 1 1   10    7   39 o  188.147   4.2162  5409.10  242.124  5569.38  326.082  5212.13  361.478  190.823   5.5986  184.538   6.4177 6.285355 8.516517 
1 1 1   10    7   40 o  310.026   5.0891 14695.74  481.566 14941.25  601.538 14257.58  803.610  312.450   6.3076  304.838   8.6369 7.611908 10.69498 
1 1 1   10    7   41 o  189.034   5.4015  5465.21  311.656  6639.28  677.537  5150.13  350.993  207.420   10.739  183.435   6.2690 23.98483 12.43471 
1 1 1   10    7   42 o  126.426   3.8506  2442.07  148.587  2728.26  244.140  2273.70  187.263  133.520   5.9907  121.940   5.0314 11.57977 7.823210 
1 1 1   10    7   43 o  262.363   3.9908 10518.55  319.584 10562.56  420.402 10458.29  491.890  262.789   5.2413  261.377   6.1657 1.412018 8.092447 
1 1 1   10    7   44 f  213.560   3.5829  6967.97  233.543  7162.63  414.168  6877.22  282.790  216.276   6.2741  212.108   4.3681 4.168106 7.644896 
1 1 1   10    7   45 o   89.654   2.7645  1227.54   75.649  1195.38  125.772  1245.76   94.692   88.291   4.6839   90.300   3.4356 -2.009193 5.808825 
1 1 1   10    7   46 o  167.817   3.0088  4301.75  154.115  4489.69  256.169  4195.14  192.936  171.318   4.8990  165.679   3.8153 5.638123 6.209401 
1 1 1   10    7   47 o   40.029   4.1218  247.559   49.639  308.447   87.979  219.124   60.123   44.360   6.7073   37.450   5.4172 6.909756 8.621742 
1 1 1   10    7   48 o  123.065   3.6686  2314.90  137.802  2324.00  186.586  2303.98  204.392  123.227   4.9609  122.658   5.4595 0.5687180 7.376727 
1 1 1   10    7   49 o   51.264   6.4905  409.538   99.281  386.067  184.071  419.166  117.901   48.888   12.336   51.658   7.7139 -2.769981 14.54910 
1 1 1   10    7   50 o  114.515   2.9434  2003.74  102.880  2015.58  143.692  1991.29  147.366  114.786   4.1013  114.084   4.2321 0.7027054 5.893363 
1 1 1   10    7   51 o  114.233   3.3370  1994.97  116.351  2048.26  297.191  1985.32  126.444  114.883   8.5365  113.938   3.6359 0.9450684 9.278545 
1 1 1   10    7   52 o   60.909   2.8348  566.993   52.701  546.994   89.738  577.522   65.113   59.530   4.9847   61.350   3.4917 -1.820705 6.085999 
1 1 1   10    7   53 o  107.040   4.0934  1754.55  133.736  1887.79  169.644  1535.79  217.370  110.936   5.0101   99.538   7.2034 11.39782 8.774435 
1 1 1   10    7   54 o   52.872   4.1956  431.013   67.151  521.941  118.232  387.714   81.588   57.781   6.8365   49.944   5.4401 7.837032 8.736827 
1 1 1   10    7   55 o   97.735   6.9604  1483.08  206.280  1753.01  335.937  1319.70  261.354  105.179   10.609   91.480   9.4988 13.69930 14.24022 
1 1 1   10    7   56 o  130.794   4.1438  2623.46  165.427  2575.50  363.747  2635.97  185.747  128.006   9.3753  131.025   4.6446 -3.018509 10.46271 
1 1 1   10    8    0 o  411.104   11.447 25879.82  1433.86 25879.82  1433.86 25879.82  1433.86  411.104   11.447  411.104   11.447 0.000000 0.000000 
1 1 1   10    8    1 o  875.997   19.353 117790.80  5174.43 118868.30  5608.96 111633.70 13407.80  879.574   20.893  835.901   52.823 43.67377 56.80491 
1 1 1   10    8    2 o  1025.77   15.402 161170.50  4822.22 161426.50  7849.81 161015.30  6111.31  1023.45   25.129  1024.12   19.551 -0.6663818 31.83864 
1 1 1   10    8    3 o  388.530   6.2054 23051.39  735.892 23235.72  1198.72 22939.91  932.232  389.888   10.073  387.517   7.8816 2.370544 12.79012 
1 1 1   10    8    4 o  855.756   14.575 112134.90  3807.03 113944.80  5385.56 110327.20  5382.35  861.232   20.488  847.361   20.811 13.87024 29.20327 
1 1 1   10    8    5 o  635.860   11.140 61825.64  2162.05 57620.64  3058.94 66023.30  3056.26  613.158   16.345  656.525   15.252 -43.36670 22.35561 
1 1 1   10    8    6 o  725.397   15.803 80627.84  3498.90 80328.27  3750.68 82637.04  9713.34  723.824   16.977  723.315   44.209 0.5095825 47.35701 
1 1 1   10    8    7 o  392.129   6.1312 23480.79  733.818 23193.07  913.645 24003.76  1231.77  389.651   7.6822  396.257   10.184 -6.606445 12.75689 
1 1 1   10    8    8 o  698.988   13.234 74781.75  2823.52 75450.21  3814.49 73971.61  4199.31  701.274   17.821  693.933   19.826 7.340698 26.65845 
1 1 1   10    8    9 o  393.828   10.227 23712.54  1229.30 23408.45  1352.48 25157.51  2948.22  391.216   11.327  403.321   24.059 -12.10583 26.59157 
1 1 1   10    8   10 o  405.341   7.5577 25099.39  935.038 26108.35  1391.62 24269.00  1262.48  413.172   11.035  398.401   10.382 14.77106 15.15122 
1 1 1   10    8   11 o  153.373   3.4717  3590.73  162.523  3626.23  244.625  3562.68  217.452  154.109   5.2006  152.760   4.6638 1.349106 6.985515 
1 1 1   10    8   12 o  134.466   4.8343  2760.60  198.409  2760.60  198.409   0.0000   0.0000  134.466   4.8343  ?   ?  0.000000 4.834274 
1 1 1   10    8   13 o  987.453   24.221 150531.09  7300.19 150531.09  7300.19   0.0000   0.0000  987.453   24.221  ?   ?  0.000000 24.22146 
1 1 1   10    8   14 o  428.785   8.4492 28100.69  1105.79 28100.69  1105.79   0.0000   0.0000  428.785   8.4492  ?   ?  0.000000 8.449224 
1 1 1   10    8   15 o  200.501   4.4455  6137.78  272.051  6112.95  285.624  6380.60  893.131  200.090   4.6768  203.491   14.474 -3.400772 15.21100 
1 1 1   10    8   16 o  456.843   12.097 31963.54  1686.73 31272.73  1856.69 35227.08  4035.54  451.689   13.467  475.205   27.946 -23.51617 31.02175 
1 1 1   10    8   17 o  469.871   9.2592 33769.19  1327.91 32332.73  1880.11 35199.06  1875.79  459.203   13.414  479.222   12.824 -20.01913 18.55797 
1 1 1   10    8   18 o  285.667   7.6576 12474.90  667.681 12613.35  1666.79 12448.44  728.701  285.349   19.250  285.317   8.3677 0.3106689E-01 20.99019 
1 1 1   10    8   19 o  127.888   3.5883  2497.03  140.069  2298.29  196.380  2702.84  199.840  122.665   5.2451  133.031   4.9217 -10.36545 7.192662 
1 1 1   10    8   20 o   73.621   3.5015  827.509   78.681  783.757  347.143  829.878   80.783   69.952   16.522   73.726   3.5899 -3.773346 16.90783 
1 1 1   10    8   21 o  198.723   5.1520  6032.73  312.497  6235.60  895.448  6004.59  333.462  200.804   14.712  198.245   5.5109 2.558594 15.71072 
1 1 1   10    8   22 o  294.402   7.0826 13253.90  636.425 12777.00  807.209 14037.36  1034.62  288.861   9.1554  302.520   11.205 -13.65878 14.46974 
1 1 1   10    8   23 o  216.711   4.6270  7173.84  306.057  7188.52  450.810  7161.29  416.842  216.816   6.8122  216.436   6.3099 0.3803406 9.285528 
1 1 1   10    8   24 o  196.589   3.6517  5901.64  219.118  5823.76  285.207  6013.83  342.308  195.245   4.7859  198.365   5.6537 -3.119415 7.407393 
1 1 1   10    8   25 o  247.283   4.9226  9342.83  371.538  9404.14  391.063  8774.45  1190.72  248.078   5.1647  237.682   16.516 10.39616 17.30456 
1 1 1   10    8   26 o  200.158   4.2729  6119.69  261.044  6161.78  274.935  5734.40  831.755  200.836   4.4851  192.353   14.269 8.482681 14.95705 
1 1 1   10    8   27 o  153.899   4.2577  3618.00  199.997  3836.19  235.114  3046.86  380.401  158.449   4.8615  140.728   8.9020 17.72031 10.14296 
1 1 1   10    8   28 o  115.966   3.6729  2053.83  130.004  2163.76  180.701  1935.87  187.178  118.992   4.9754  112.537   5.4493 6.455482 7.378983 
1 1 1   10    8   29 o  278.645   5.6478 11870.57  480.339 11669.38  711.641 12038.95  651.006  275.966   8.4487  280.408   7.6064 -4.442688 11.36824 
1 1 1   10    8   30 o  313.799   11.510 15144.83  1102.42   0.0000   0.0000 15144.83  1102.42  ?   ?   313.799   11.510 0.000000 11.51010 
1 1 1   10    8   31 o  111.081   3.3393  1884.36  113.218  1853.90  163.108  1912.69  157.279  110.138   4.8520  111.879   4.6058 -1.740585 6.689961 
1 1 1   10    8   32 o  336.596   5.4456 17322.90  559.458 16709.64  729.888 18196.41  871.097  330.346   7.2389  344.553   8.2831 -14.20697 11.00049 
1 1 1   10    8   33 o  341.577   6.2931 17852.08  656.103 18282.31  967.563 17485.86  892.692  345.165   9.1841  337.666   8.6616 7.499634 12.62419 
1 1 1   10    8   34 o  267.767   5.4413 10963.80  444.709 11103.37  689.653 10864.46  581.831  269.098   8.3966  266.358   7.1567 2.739380 11.03274 
1 1 1   10    8   35 o  353.280   11.323 19213.85  1221.00 20975.48  2426.47 18616.53  1412.92  364.201   21.930  347.163   13.334 17.03848 25.66599 
1 1 1   10    8   36 o  418.020   11.426 26908.54  1457.85   0.0000   0.0000 26908.54  1457.85  ?   ?   418.020   11.426 0.000000 11.42617 
1 1 1   10    8   37 o  205.749   3.1638  6464.95  198.686  6629.90  281.874  6302.07  280.103  208.287   4.4338  203.067   4.5192 5.220276 6.331022 
1 1 1   10    8   38 o  179.029   7.2459  4909.51  395.943  5177.84  475.534  4303.05  714.911  183.731   8.4797  166.151   14.235 17.57996 16.56893 
1 1 1   10    8   39 o  177.100   3.3235  4790.35  179.653  4767.38  228.362  4827.65  291.015  176.631   4.2358  177.675   5.3663 -1.043716 6.836601 
1 1 1   10    8   40 o  111.237   2.9197  1889.55   99.128  2105.32  199.079  1818.42  114.307  117.319   5.5595  109.110   3.4323 8.209564 6.533703 
1 1 1   10    8   41 o  104.642   5.4564  1679.45  173.669  1702.75  193.420  1582.51  394.493  105.309   6.0428  100.334   13.202 4.974915 14.51951 
1 1 1   10    8   42 o   97.134   3.5485  1441.35  105.203  1390.22  136.207  1516.96  165.632   95.360   4.6797   99.430   5.4789 -4.069725 7.205373 
1 1 1   10    8   43 o  242.868   4.0287  9014.13  298.640  9398.46  510.819  8814.56  368.101  247.682   6.7570  240.072   5.0235 7.609985 8.419792 
1 1 1   10    8   44 o  174.924   3.3738  4674.47  180.128  4999.31  311.226  4510.85  220.883  180.734   5.6418  171.786   4.2127 8.947495 7.041081 
1 1 1   10    8   45 o  131.880   3.3249  2657.08  133.838  2745.19  203.703  2590.15  177.535  133.960   4.9820  130.152   4.4690 3.807480 6.692763 
1 1 1   10    8   46 o   40.087   4.5907  248.973   55.156  234.067   90.419  257.807   69.607   38.333   7.9872   40.629   5.7757 -2.295868 9.856632 
1 1 1   10    8   47 o  192.400   5.0028  5665.30  293.790  5691.44  517.190  5652.85  356.977  192.275   8.8127  192.059   6.0896 0.2165222 10.71202 
1 1 1   10    8   48 o  132.406   3.8938  2680.50  157.360  2724.78  210.695  2624.65  236.640  133.400   5.1747  130.859   5.9247 2.541000 7.866350 
1 1 1   10    8   49 o   61.813   3.1909  585.464   59.996  613.876   96.273  567.423   76.713   63.115   5.0395   60.763   4.1614 2.351669 6.535609 
1 1 1   10    8   50 o   40.147   3.9723  248.967   48.037  264.278   89.176  242.708   57.016   40.823   7.4307   39.519   4.8273 1.304157 8.861045 
1 1 1   10    8   51 o  210.028   3.7974  6748.59  243.436  7926.10  388.229  5985.62  312.505  227.288   5.5962  197.590   5.1817 29.69733 7.626791 
1 1 1   10    8   52 f  126.995   3.5437  2467.30  137.361  3066.62  458.446  2408.19  143.975  139.778   10.830  125.446   3.7602 14.33247 11.46440 
1 1 1   10    8   53 o   35.365   5.2451  196.123   54.901  157.848  103.248  211.210   64.824   31.776   9.7309   36.589   6.0136 -4.813116 11.43918 
1 1 1   10    8   54 o  108.458   3.9451  1802.06  130.597  1777.24  322.397  1806.94  142.841  106.157   10.071  108.564   4.3107 -2.407364 10.95439 
1 1 1   10    8   55 o   22.665   5.4602   82.182   37.325   0.0000   0.0000   82.182   37.325  ?   ?    22.665   5.4602 0.000000 5.460226 
1 1 1   10    9    0 o  144.291   12.656  3254.44  547.528  3254.44  547.528  3254.44  547.528  144.291   12.656  144.291   12.656 0.000000 0.000000 
1 1 1   10    9    1 o  378.352   7.1986 21865.47  831.305 21457.40  1236.55 22202.00  1122.93  374.599   10.815  381.120   9.6533 -6.520447 14.49657 
1 1 1   10    9    2 o  365.465   8.1415 20406.37  908.169 20294.90  1054.44 20726.62  1787.28  364.393   9.4806  367.740   15.923 -3.346832 18.53199 
1 1 1   10    9    3 o  402.001   9.4802 24700.54  1163.22 24573.30  3016.20 24722.77  1260.75  398.409   24.929  402.128   10.272 -3.719147 26.96225 
1 1 1   10    9    4 o  154.788   4.6493  3657.83  219.653  3727.03  572.036  3645.86  237.890  155.608   12.140  154.529   5.0437 1.078369 13.14620 
1 1 1   10    9    5 f  351.205   7.0077 18839.98  751.196 18870.61  1063.77 18809.51  1060.94  351.339   9.9198  350.771   9.9095 0.5685730 14.02144 
1 1 1   10    9    6 o  1034.67   22.632 164863.50  7147.33 164197.20  7661.74 169331.59 19840.63  1031.86   24.327  1015.09   64.370 16.76477 68.81372 
1 1 1   10    9    7 o  654.134   13.952 65531.23  2785.55 64400.69  3236.35 68762.56  5471.47  648.040   16.362  666.898   26.880 -18.85883 31.46815 
1 1 1   10    9    8 o  292.106   7.3728 13034.88  657.339 14700.84  1706.08 12744.45  712.335  308.898   18.175  288.805   8.0810 20.09305 19.89095 
1 1 1   10    9    9 o  494.257   9.6188 37347.39  1451.08 35938.25  2052.82 38754.64  2051.44  484.380   13.885  503.070   13.360 -18.69037 19.26890 
1 1 1   10    9   10 o  164.249   5.7800  4119.83  289.765  4119.83  289.765   0.0000   0.0000  164.249   5.7800  ?   ?  0.000000 5.779974 
1 1 1   10    9   11 o  263.765   4.9991 10622.95  402.462 10842.97  575.752 10412.71  562.805  266.413   7.0805  261.075   7.0628 5.338654 10.00080 
1 1 1   10    9   12 o  748.947   24.810 86747.75  5671.37 88541.93  6952.98 83180.96  9803.40  754.258   30.202  721.549   44.734 32.70905 53.97509 
1 1 1   10    9   13 o  351.847   11.342 18948.84  1218.08 20280.16  1507.44 16444.15  2067.64  363.765   13.577  325.970   20.892 37.79529 24.91574 
1 1 1   10    9   14 o  502.479   11.931 38667.59  1829.80 38118.14  1983.38 41808.96  4742.43  498.728   13.029  516.795   30.197 -18.06754 32.88779 
1 1 1   10    9   15 o  365.390   7.1222 20402.58  794.308 20251.56  835.149 21834.29  2571.48  364.008   7.5169  375.071   22.567 -11.06305 23.78625 
1 1 1   10    9   16 o   26.427   6.3740  111.001   50.818   28.258  105.014  136.302   58.070   23.064   9.4203   29.286   6.6485 -6.222254 11.53011 
1 1 1   10    9   17 o  565.382   10.907 48963.39  1882.17 48550.73  2663.85 49374.77  2659.72  561.933   15.531  566.723   15.376 -4.790527 21.85518 
1 1 1   10    9   18 f  318.918   11.157 15586.81  1086.04 17446.80  1901.31 14686.05  1323.13  335.664   18.631  309.193   14.020 26.47055 23.31717 
1 1 1   10    9   19 o  309.457   7.4967 14644.45  708.090 15052.29  1871.32 14576.30  764.968  311.246   19.801  308.682   8.1192 2.563782 21.40118 
1 1 1   10    9   20 o  146.097   3.7629  3259.21  167.797  3064.09  252.083  3414.44  224.846  141.601   5.8326  149.506   4.9273 -7.904922 7.635245 
1 1 1   10    9   21 o  357.866   5.6188 19570.64  613.738 19871.28  778.891 19078.27  996.778  360.464   7.0794  352.936   9.2531 7.528564 11.65064 
1 1 1   10    9   22 o  223.574   3.8326  7633.35  261.539  7731.17  333.626  7477.38  421.258  224.958   4.8590  221.159   6.2406 3.798737 7.909151 
1 1 1   10    9   23 o   14.049   6.3132 -28.0545   56.497 -29.1154   59.079 -16.7059  193.226   14.378   6.4589   28.535   12.278 -14.15729 13.87291 
1 1 1   10    9   24 o   28.911   10.332  108.857  115.339  108.857  115.339   0.0000   0.0000   28.911   10.332  ?   ?  0.000000 10.33168 
1 1 1   10    9   25 o  287.088   5.9446 12600.81  520.901 12600.81  520.901   0.0000   0.0000  287.088   5.9446  ?   ?  0.000000 5.944607 
1 1 1   10    9   26 o  220.485   3.4503  7423.65  232.198  7795.25  329.282  7056.10  327.481  225.870   4.7763  214.883   4.9931 10.98723 6.909675 
1 1 1   10    9   27 o  419.504   6.5066 26919.75  833.113 27129.32  1055.71 26573.78  1356.43  420.842   8.2188  415.979   10.683 4.862885 13.47896 
1 1 1   10    9   28 o  161.782   3.1849  3996.69  157.271  4616.14  282.848  3719.47  189.217  173.777   5.3327  156.045   3.9728 17.73175 6.649817 
1 1 1   10    9   29 o  114.455   4.5579  2001.69  159.227   0.0000   0.0000  2001.69  159.227  ?   ?   114.455   4.5579 0.000000 4.557886 
1 1 1   10    9   30 o  246.040   4.1658  9248.37  312.841  9079.69  545.161  9331.19  381.997  243.513   7.3348  247.076   5.0654 -3.563477 8.913847 
1 1 1   10    9   31 o  256.825   4.8064 10080.99  376.766  9854.03  556.494 10273.07  511.945  253.687   7.1870  259.105   6.4734 -5.418167 9.672488 
1 1 1   10    9   32 o   48.615   3.4721  362.810   51.182  313.303   77.681  400.789   68.037   44.888   5.8058   51.024   4.4122 -6.135376 7.292091 
1 1 1   10    9   33 o  158.901   3.6648  3856.87  177.742  3984.80  279.747  3770.26  230.173  161.413   5.6782  157.056   4.8016 4.356888 7.436182 
1 1 1   10    9   34 o  185.964   3.1402  5281.29  178.241  5433.66  365.232  5233.66  204.210  188.431   6.3504  185.103   3.6145 3.327316 7.306976 
1 1 1   10    9   35 o  281.802   10.657 12215.13  916.631   0.0000   0.0000 12215.13  916.631  ?   ?   281.802   10.657 0.000000 10.65697 
1 1 1   10    9   36 o  142.296   3.2747  3092.45  142.227  3157.74  246.800  3059.99  174.032  143.685   5.6275  141.520   4.0290 2.164795 6.921092 
1 1 1   10    9   37 o  324.650   6.1962 16128.59  613.990 15798.32  952.906 16363.04  802.869  320.671   9.7358  326.696   8.0516 -6.025299 12.63390 
1 1 1   10    9   38 o   36.772   6.9242  213.832   74.864   0.0000   0.0000  213.832   74.864  ?   ?    36.772   6.9242 0.000000 6.924213 
1 1 1   10    9   39 o  290.729   5.3904 12926.96  478.329 12991.21  656.136 12854.08  698.797  291.177   7.3828  289.551   7.9069 1.626221 10.81782 
1 1 1   10    9   40 o  357.053   6.4169 19517.32  699.322 20869.19  994.858 18196.88  983.226  368.691   8.8406  344.153   9.3602 24.53772 12.87515 
1 1 1   10    9   41 o  363.911   7.3670 20298.37  818.282 21472.74  1006.66 18010.95  1404.92  373.940   8.8199  341.060   13.496 32.87985 16.12233 
1 1 1   10    9   42 o   24.453   8.0908   87.145   70.285  238.982  395.042   82.182   71.424   48.231   18.731   24.062   8.1587 24.16902 20.43092 
1 1 1   10    9   43 o  156.447   3.0559  3738.41  145.923  3851.68  215.513  3642.51  198.293  158.726   4.4485  154.370   4.2085 4.355759 6.123744 
1 1 1   10    9   44 o  146.639   3.9350  3286.46  176.123  3241.51  278.815  3316.30  227.189  145.467   6.2796  147.233   5.0555 -1.765686 8.061763 
1 1 1   10    9   45 o   92.474   3.5849  1306.76  101.184  1289.38  155.559  1319.51  133.217   91.602   5.5906   92.760   4.7208 -1.158142 7.317178 
1 1 1   10    9   46 o  168.649   4.0156  4348.41  206.705  4731.17  588.065  4294.46  220.795  174.548   11.096  167.576   4.3168 6.971268 11.90585 
1 1 1   10    9   47 o  126.071   3.0431  2428.29  117.098  2379.54  192.734  2456.82  147.427  124.676   5.0648  126.769   3.8102 -2.093277 6.337939 
1 1 1   10    9   48 f  245.548   4.1036  9222.03  307.551  9651.78  494.372  8950.71  392.818  250.792   6.4584  241.725   5.3242 9.066940 8.370048 
1 1 1   10    9   49 o   95.085   2.9801  1381.58   86.489  1521.83  121.680  1238.37  122.957   99.742   3.9969   89.948   4.4786 9.794373 6.002758 
1 1 1   10    9   50 o  112.047   3.3127  1919.45  113.293  2175.45  178.918  1748.10  146.377  119.156   4.9195  106.849   4.4883 12.30735 6.659325 
1 1 1   10    9   51 o   80.717   3.2994  996.328   81.287  1203.13  249.973  971.873   85.959   87.566   9.5054   79.709   3.5332 7.857361 10.14083 
1 1 1   10    9   52 o  155.046   3.1869  3676.53  150.814  4348.20  250.063  3292.55  189.070  168.375   4.8658  146.607   4.2253 21.76784 6.444286 
1 1 1   10    9   53 o  129.855   3.3499  2580.23  132.771  2952.12  348.236  2516.97  143.620  137.715   8.3238  128.219   3.6698 9.495911 9.096875 
1 1 1   10    9   54 o   71.017   4.2664  776.119   92.049  829.869  505.062  774.272   93.617   69.054   21.585   70.921   4.3457 -1.866898 22.01780 
1 1 1   10    9   55 o   87.838   8.4895  1212.46  224.767   0.0000   0.0000  1212.46  224.767  ?   ?    87.838   8.4895 0.000000 8.489505 
1 1 1   10   10    0 o  393.879   10.510 23752.53  1261.48 23752.53  1261.48 23752.53  1261.48  393.879   10.510  393.879   10.510 0.000000 0.000000 
1 1 1   10   10    1 o  675.362   15.559 69928.72  3207.24 78618.38  8317.55 68411.03  3476.05  706.777   38.703  667.685   17.057 39.09216 42.29529 
1 1 1   10   10    2 o  823.082   21.111 104270.10  5303.66   0.0000   0.0000 104270.10  5303.66  ?   ?   823.082   21.111 0.000000 21.11133 
1 1 1   10   10    3 o  278.597   7.3616 11857.53  625.987 13470.82  1625.86 11576.76  678.277  295.622   18.106  275.250   8.0735 20.37219 19.82464 
1 1 1   10   10    4 o  632.755   10.457 61233.10  2019.57 64312.79  2856.70 58155.93  2855.52  647.844   14.447  615.922   15.189 31.92206 20.96269 
1 1 1   10   10    5 f  379.250   6.9794 21971.37  807.902 23247.27  1143.50 20699.75  1141.59  389.938   9.6078  367.912   10.166 22.02539 13.98776 
1 1 1   10   10    6 o  416.367   7.2378 26485.02  919.813 27764.16  1301.70 25209.35  1299.93  426.097   10.009  405.979   10.491 20.11795 14.49929 
1 1 1   10   10    7 o  962.210   20.772 142566.30  6100.49 163526.41 11980.47 135229.09  7088.26  1019.51   38.501  935.337   24.829 84.17010 45.81219 
1 1 1   10   10    8 o  711.153   13.437 77482.12  2916.70   0.0000   0.0000 77482.12  2916.70  ?   ?   711.153   13.437 0.000000 13.43728 
1 1 1   10   10    9 o  264.445   12.665 10710.57  1022.24 10400.25  1490.78 10985.97  1404.42  259.334   18.965  266.855   17.337 -7.520813 25.69519 
1 1 1   10   10   10 o  360.908   7.3180 19903.40  806.135 19903.40  806.135   0.0000   0.0000  360.908   7.3180  ?   ?  0.000000 7.318019 
1 1 1   10   10   11 o  683.390   13.046 71573.23  2721.17 71573.23  2721.17   0.0000   0.0000  683.390   13.046  ?   ?  0.000000 13.04578 
1 1 1   10   10   12 o  222.211   8.6535  7550.40  586.912  7908.51  743.703  6959.13  955.624  227.301   10.720  212.423   14.832 14.87860 18.30035 
1 1 1   10   10   13 o  452.357   9.5413 31307.63  1317.37 32429.04  2609.28 30923.99  1526.16  458.756   18.635  449.372   11.127 9.383942 21.70396 
1 1 1   10   10   14 o  381.058   7.8769 22201.00  916.149 22479.98  1065.50 21409.81  1794.34  383.326   9.1068  373.174   15.753 10.15176 18.19633 
1 1 1   10   10   15 o  167.975   4.1759  4308.42  214.097  4291.75  311.834  4323.29  294.469  167.597   6.0959  168.223   5.7351 -0.6262512 8.369673 
1 1 1   10   10   16 o  435.553   27.042 29782.11  3577.17   0.0000   0.0000 29782.11  3577.17  ?   ?   435.553   27.042 0.000000 27.04159 
1 1 1   10   10   17 o  120.861   4.6640  2231.04  172.052  2269.78  523.177  2226.34  182.185  120.644   14.498  120.728   4.9441 -0.8417511E-01 15.31794 
1 1 1   10   10   18 o  341.988   6.8732 17881.92  717.444 17923.95  1016.30 17840.16  1012.95  342.071   9.7339  341.272   9.7246 0.7992859 13.75922 
1 1 1   10   10   19 o  233.694   4.8438  8342.72  345.500  8369.39  363.054  8086.75  1124.73  234.055   5.0820  228.379   16.241 5.676788 17.01766 
1 1 1   10   10   20 o  306.658   5.1347 14368.26  480.599 14340.92  590.121 14422.09  828.204  306.275   6.3127  306.880   8.8420 -0.6052246 10.86420 
1 1 1   10   10   21 o  193.212   5.4259  5704.94  319.982  5723.41  644.430  5698.90  368.636  192.806   10.996  193.066   6.2557 -0.2600098 12.65103 
1 1 1   10   10   22 o  167.207   4.0257  4270.08  205.454  4120.50  285.076  4431.73  296.365  164.188   5.6886  170.275   5.7024 -6.087219 8.054654 
1 1 1   10   10   23 o  320.643   6.1751 15720.45  604.342 15731.47  635.681 15616.90  1948.80  320.723   6.4937  316.014   20.312 4.708923 21.32460 
1 1 1   10   10   24 o  192.197   4.5462  5643.54  266.692  5543.08  280.748  6572.05  853.542  190.466   4.8293  206.079   13.647 -15.61270 14.47636 
1 1 1   10   10   25 o  345.064   8.0870 18235.79  851.734 18320.33  924.309 17759.96  2192.81  345.757   8.7585  336.321   21.473 9.436188 23.19099 
1 1 1   10   10   26 o  262.698   4.5372 10543.99  363.800 10166.71  463.050 11152.44  588.046  257.854   5.8835  269.941   7.1371 -12.08737 9.249573 
1 1 1   10   10   27 o  627.272   11.168 60485.53  2138.29 58030.45  3180.34 62510.95  2888.67  611.480   17.040  635.906   14.883 -24.42603 22.62451 
1 1 1   10   10   28 o  332.082   11.688 16968.91  1184.68   0.0000   0.0000 16968.91  1184.68  ?   ?   332.082   11.688 0.000000 11.68799 
1 1 1   10   10   29 o  337.194   5.1648 17380.94  531.554 17296.57  987.767 17415.33  630.658  335.679   9.6408  337.413   6.1237 -1.734009 11.42124 
1 1 1   10   10   30 o  183.303   2.7440  5130.23  153.524  5538.95  246.064  4869.72  196.451  190.400   4.2341  178.557   3.6046 11.84401 5.560686 
1 1 1   10   10   31 o  342.927   7.4569 18013.40  780.504 17803.37  960.723 18421.13  1338.58  340.585   9.2418  345.579   12.691 -4.994202 15.69906 
1 1 1   10   10   32 o  315.944   5.0460 15260.23  486.601 15094.77  846.214 15341.97  594.772  313.666   8.8389  316.656   6.1538 -2.990173 10.77010 
1 1 1   10   10   33 o  119.737   5.8252  2193.14  212.890  2581.58  533.679  2119.63  232.162  128.502   13.824  117.502   6.4986 11.00014 15.27547 
1 1 1   10   10   34 o  245.820   4.9709  9237.94  372.964  8841.98  600.178  9487.04  476.037  240.139   8.1884  248.986   6.2640 -8.847260 10.30960 
1 1 1   10   10   35 o  247.911   3.7655  9388.93  284.928  9258.04  414.399  9506.29  392.397  246.036   5.5183  249.347   5.1559 -3.310867 7.552134 
1 1 1   10   10   36 o   73.435   4.8929  828.038  109.041  724.959  136.019  1013.42  182.411   68.504   6.5865   80.989   7.4631 -12.48551 9.953893 
1 1 1   10   10   37 o  257.886   12.341 10261.54  971.371   0.0000   0.0000 10261.54  971.371  ?   ?   257.886   12.341 0.000000 12.34071 
1 1 1   10   10   38 o  180.161   4.2707  4960.17  234.840  5341.38  347.468  4639.60  318.631  186.825   6.0935  174.127   5.9952 12.69733 8.548260 
1 1 1   10   10   39 o  259.833   5.5300 10327.54  438.571 10446.50  629.554 10215.37  611.315  261.006   7.9025  258.125   7.7592 2.881409 11.07499 
1 1 1   10   10   40 o  271.762   6.3108 11307.07  523.469 12137.02  1548.08 11199.92  556.234  277.714   18.367  270.410   6.7393 7.303925 19.56441 
1 1 1   10   10   41 o  219.723   4.6244  7381.07  310.132  7594.80  462.524  7206.48  418.029  222.647   6.8061  216.940   6.3132 5.707642 9.283313 
1 1 1   10   10   42 o   60.383   3.6348  559.102   66.678  500.727   99.977  605.869   89.487   56.898   5.8397   62.771   4.7049 -5.872940 7.499247 
1 1 1   10   10   43 o   43.238   4.4696  288.888   58.134  232.262   94.374  323.514   73.798   38.154   8.3370   45.663   5.3995 -7.509239 9.932768 
1 1 1   10   10   44 f  102.999   4.4129  1622.24  138.733  1480.16  551.654  1631.84  143.340   95.025   19.668  103.297   4.5463 -8.272125 20.18671 
1 1 1   10   10   45 o  179.687   2.9696  4932.22  162.866  5096.31  241.950  4796.26  220.234  182.551   4.3423  177.118   4.0739 5.433548 5.954173 
1 1 1   10   10   46 o   68.508   3.5643  719.286   74.274  687.028  134.967  733.299   88.954   66.581   6.7340   69.115   4.2372 -2.533867 7.956172 
1 1 1   10   10   47 o  286.615   4.8027 12574.46  420.148 13089.40  671.704 12243.51  538.494  291.783   7.5423  282.525   6.2446 9.257996 9.791884 
1 1 1   10   10   48 o   42.687   3.8933  280.991   50.168  274.824  145.850  281.818   53.428   41.382   11.251   42.719   4.1499 -1.337864 11.99213 
1 1 1   10   10   49 f   51.056   3.5046  400.477   54.284  488.520  118.510  377.101   61.066   55.914   7.1046   49.476   4.0802 6.437969 8.192883 
1 1 1   10   10   50 o   38.059   3.2804  223.125   37.735  347.467  116.933  208.671   39.867   46.707   8.5161   36.759   3.5995 9.947922 9.245538 
1 1 1   10   10   51 o  128.187   3.6523  2514.57  142.897  2827.71  210.898  2248.79  194.296  135.760   5.0896  121.046   5.2589 14.71387 7.318504 
1 1 1   10   10   52 f  109.927   4.3499  1852.23  145.950  2522.27  451.706  1774.12  154.222  126.013   11.885  107.546   4.6983 18.46767 12.77953 
1 1 1   10   10   53 o   22.099   6.7472   75.640   49.683 -107.4746  127.209  108.600   53.970   19.350   8.9825   26.041   6.7385 -6.691074 11.22912 
1 1 1   10   10   54 o   66.179   3.1393  670.260   63.412  833.801  233.939  657.291   65.878   71.954   11.002   65.443   3.3088 6.510826 11.48836 
1 1 1   10   11    0 o  812.084   33.828 102497.40  8351.87 102497.40  8351.87 102497.40  8351.87  812.084   33.828  812.084   33.828 0.000000 0.000000 
1 1 1   10   11    1 o  632.182   14.008 61262.30  2702.97 56596.18  7004.13 62078.82  2929.93  597.875   38.588  636.155   15.090 -38.28052 41.43337 
1 1 1   10   11    2 o  772.783   19.572 91933.88  4616.54   0.0000   0.0000 91933.88  4616.54  ?   ?   772.783   19.572 0.000000 19.57231 
1 1 1   10   11    3 o  478.427   11.238 35033.29  1641.06 40748.53  4265.94 34040.63  1777.87  511.615   27.418  471.457   12.355 40.15829 30.07316 
1 1 1   10   11    4 o  440.302   8.0877 29631.70  1086.91 32630.84  1617.41 27162.02  1467.71  461.688   11.478  421.234   11.416 40.45468 16.18809 
1 1 1   10   11    5 f  343.512   8.1987 18037.27  859.617 18647.11  998.354 16289.03  1690.34  349.185   9.3673  325.125   17.094 24.05984 19.49200 
1 1 1   10   11    6 o  648.350   26.359 65252.47  5216.24 70726.05  7382.98 59796.95  7370.78  669.077   36.288  613.065   39.602 56.01251 53.71367 
1 1 1   10   11    7 o  392.495   6.6255 23536.52  793.719 23463.32  1181.59 23596.71  1071.45  391.616   9.8853  392.817   8.9365 -1.200897 13.32589 
1 1 1   10   11    8 o  210.273   4.4026  6751.16  282.563  7174.55  422.859  6409.59  379.807  216.705   6.3931  204.838   6.0749 11.86742 8.819030 
1 1 1   10   11    9 o  419.558   7.6735 26907.78  982.664 27396.88  1393.58 26424.11  1385.84  423.018   10.793  415.423   10.930 7.594727 15.36081 
1 1 1   10   11   10 o  341.502   6.1047 17817.33  636.315 18031.38  669.532 15819.21  2045.59  343.530   6.3854  319.230   21.113 24.29935 22.05776 
1 1 1   10   11   11 o  269.559   6.7965 11104.63  559.187 11072.53  607.270 11283.56  1433.87  269.134   7.3926  270.108   17.486 -0.9737549 18.98454 
1 1 1   10   11   12 o  465.426   10.929 33186.23  1552.55 35648.77  2864.49 32161.93  1847.43  480.365   19.537  457.779   13.222 22.58521 23.59061 
1 1 1   10   11   13 o  550.099   13.161 46453.98  2209.74 47127.04  2432.57 43276.93  5285.03  553.752   14.392  521.777   33.360 31.97467 36.33212 
1 1 1   10   11   14 o  189.060   5.5180  5460.87  318.417   0.0000   0.0000  5460.87  318.417  ?   ?   189.060   5.5180 0.000000 5.517982 
1 1 1   10   11   15 o  132.762   12.052  2726.74  483.041   0.0000   0.0000  2726.74  483.041  ?   ?   132.762   12.052 0.000000 12.05177 
1 1 1   10   11   16 o  279.474   7.5766 11947.65  646.303 14385.98  1593.51 11467.58  707.071  304.733   17.203  273.723   8.4632 31.00977 19.17183 
1 1 1   10   11   17 o  322.604   6.0969 15908.08  600.334 16011.84  631.309 14927.90  1940.40  323.629   6.3911  309.284   20.674 14.34546 21.63939 
1 1 1   10   11   18 o   43.260   4.3542  288.728   56.711  334.508  102.974  268.799   67.943   46.160   7.5714   41.581   5.4875 4.578854 9.350864 
1 1 1   10   11   19 o  211.554   6.8746  6845.30  443.899  7197.98  663.393  6559.38  597.327  216.664   10.032  206.884   9.4595 9.780411 13.78818 
1 1 1   10   11   20 o  159.255   3.2614  3872.57  158.530  4025.34  241.751  3757.31  209.980  162.314   4.8797  156.835   4.3865 5.479477 6.561502 
1 1 1   10   11   21 o  105.071   3.2410  1685.70  103.940  1675.67  156.406  1693.63  139.098  104.722   4.8932  105.296   4.3281 -0.5734558 6.532680 
1 1 1   10   11   22 o   29.606   5.3409  138.080   46.486  144.104  286.172  137.917   47.112   40.277   15.855   29.577   5.4184 10.70014 16.75532 
1 1 1   10   11   23 o  126.648   4.9707  2451.12  192.146  2451.12  192.146   0.0000   0.0000  126.648   4.9707  ?   ?  0.000000 4.970667 
1 1 1   10   11   24 o  509.976   12.733 40050.82  1982.01 40050.82  1982.01   0.0000   0.0000  509.976   12.733  ?   ?  0.000000 12.73323 
1 1 1   10   11   25 o  225.306   4.6758  7756.81  321.550  7737.92  459.998  7774.88  449.659  224.882   6.7017  225.432   6.5351 -0.5508118 9.360546 
1 1 1   10   11   26 o  342.632   15.493 18173.98  1620.23 17514.47  2305.97 18817.04  2277.02  332.896   22.833  345.675   21.691 -12.77936 31.49381 
1 1 1   10   11   27 o  167.273   4.9325  4276.53  251.829  4429.09  306.917  3962.20  440.545  170.174   5.9089  160.473   9.0311 9.701035 10.79240 
1 1 1   10   11   28 o  284.441   6.8866 12384.77  597.877 12572.94  715.430 11949.09  1088.62  286.415   8.1838  278.357   12.813 8.057800 15.20376 
1 1 1   10   11   29 f  248.237   4.6248  9417.43  350.412 10263.77  504.786  8630.29  486.817  258.986   6.3858  237.451   6.7170 21.53529 9.268018 
1 1 1   10   11   30 o   93.994   3.0737  1349.17   88.183  1308.10  121.731  1394.52  127.917   92.524   4.3105   95.529   4.3871 -3.005447 6.150363 
1 1 1   10   11   31 o  223.624   3.8080  7639.35  259.916  7342.12  479.961  7762.69  309.174  218.951   7.1820  225.377   4.4944 -6.426773 8.472346 
1 1 1   10   11   32 o  157.369   3.2374  3782.18  155.501  4192.42  287.886  3613.18  184.774  165.556   5.6972  153.786   3.9365 11.77063 6.924842 
1 1 1   10   11   33 o  137.216   2.7366  2874.94  114.613  2628.85  242.069  2946.05  130.122  131.077   6.0506  138.893   3.0694 -7.816437 6.784590 
1 1 1   10   11   34 f   64.612   4.1687  640.539   81.773  708.989   98.483  488.583  146.734   67.937   4.7798   55.739   8.9261 12.19786 10.12536 
1 1 1   10   11   35 o  286.347   5.8608 12544.22  512.231 12238.44  757.916 12801.33  694.977  282.400   8.7931  288.978   7.8793 -6.578918 11.80683 
1 1 1   10   11   36 o   98.040   3.6290  1468.30  108.594  1665.72  181.187  1357.63  135.660  104.193   5.7192   94.123   4.7373 10.07038 7.426419 
1 1 1   10   11   37 o  127.063   2.9409  2465.50  114.056  2571.46  157.055  2347.25  165.907  129.730   3.9664  123.929   4.3861 5.801033 5.913528 
1 1 1   10   11   38 o  257.547   12.262 10241.11  963.892 11084.28  1439.77  9556.24  1297.59  265.672   17.859  246.805   17.335 18.86714 24.88890 
1 1 1   10   11   39 o  147.510   4.5451  3326.27  204.638  3551.37  281.634  3074.50  297.849  152.321   6.0577  141.665   6.8884 10.65648 9.173099 
1 1 1   10   11   40 o  111.050   4.7089  1885.58  159.609  1918.18  214.947  1845.52  238.296  111.744   6.3282  109.497   7.1697 2.246857 9.562950 
1 1 1   10   11   41 o  164.635   5.4822  4147.64  275.482  4156.46  321.177  4123.09  535.844  164.730   6.3878  163.165   10.821 1.565567 12.56574 
1 1 1   10   11   42 o  265.243   4.3149 10755.93  349.328 11002.40  608.741 10634.92  426.551  267.795   7.4475  263.628   5.3011 4.167236 9.141489 
1 1 1   10   11   43 o  189.740   4.2378  5504.25  245.423  5247.33  912.634  5524.28  254.809  182.196   16.593  190.072   4.3922 -7.875793 17.16459 
1 1 1   10   11   44 o  282.921   4.5894 12243.97  396.314 12435.71  518.367 11974.23  614.848  284.902   5.9611  279.314   7.2120 5.588074 9.356712 
1 1 1   10   11   45 o   67.963   4.9250  710.625  101.470  638.976  133.774  807.699  155.711   64.154   6.9425   72.181   7.1623 -8.026947 9.974765 
1 1 1   10   11   46 o   73.391   6.1048  831.616  135.512  975.673  494.597  819.924  140.904   76.534   20.682   72.828   6.4039 3.706436 21.65049 
1 1 1   10   11   47 o  100.008   2.3522  1527.58   71.801  1729.54  123.893  1425.45   88.105  106.345   3.8169   96.584   2.9887 9.761574 4.847783 
1 1 1   10   11   48 o  287.902   4.5257 12690.91  397.696 13110.95  696.365 12487.60  484.476  291.686   7.8217  285.350   5.5626 6.336487 9.598031 
1 1 1   10   11   49 o  167.347   3.3586  4282.54  171.551  4909.42  314.349  4016.66  204.725  178.828   5.7592  161.984   4.1408 16.84355 7.093240 
1 1 1   10   11   50 o   39.131   3.5368  236.180   41.786  296.897  147.498  230.882   43.571   42.787   11.173   38.662   3.7390 4.125050 11.78209 
1 1 1   10   11   51 o   57.716   5.2123  515.603   90.831  793.528  385.090  499.230   93.468   68.358   18.152   56.745   5.4641 11.61260 18.95640 
1 1 1   10   11   52 o  130.067   4.5486  2595.31  180.577  2699.94  208.746  2284.21  359.946  132.564   5.1591  120.489   9.8743 12.07466 11.14082 
1 1 1   10   11   53 o  139.269   4.2908  2975.26  182.393  3273.74  412.342  2902.66  203.370  144.405   9.4066  137.462   4.8472 6.943115 10.58204 
1 1 1   10   12    0 o   55.615   16.340  580.517  241.006  580.517  241.006  580.517  241.006   55.615   16.340   55.615   16.340 0.000000 0.000000 
1 1 1   10   12    1 f  201.999   9.9121  6244.52  611.128  6691.35  868.103  5805.51  860.477  208.390   13.725  193.908   14.647 14.48244 20.07254 
1 1 1   10   12    2 o  158.733   6.3344  3849.67  306.897  4079.68  436.303  3624.42  431.767  163.083   8.7978  153.643   9.2502 9.440384 12.76580 
1 1 1   10   12    3 o   73.111   3.9408  818.474   87.614  790.925   99.485  913.685  184.949   71.824   4.5618   76.891   7.9976 -5.067215 9.207131 
1 1 1   10   12    4 o  220.740   4.6758  7440.96  315.034  7431.57  469.108  7448.66  425.176  220.513   6.9698  220.795   6.3090 -0.2820435 9.401173 
1 1 1   10   12    5 o  342.278   12.189 17959.42  1273.39 18565.45  2209.89 17658.17  1558.06  345.866   21.034  338.996   15.058 6.869568 25.86813 
1 1 1   10   12    6 o   96.523   3.9420  1422.51  116.136  1443.92  136.466  1366.27  221.156   97.238   4.5980   94.212   7.7599 3.025352 9.019824 
1 1 1   10   12    7 o  320.718   6.2562 15717.34  612.419 18212.26  2002.80 15459.99  643.228  342.911   19.213  318.058   6.6259 24.85352 20.32322 
1 1 1   10   12    8 f  549.466   9.9522 46226.87  1669.08 49209.34  2483.43 43769.84  2254.08  565.908   14.378  533.850   13.834 32.05780 19.95204 
1 1 1   10   12    9 o  403.301   16.710 25061.07  2056.93 27033.61  2919.04 23115.59  2898.95  416.486   23.052  384.376   24.843 32.10956 33.89050 
1 1 1   10   12   10 o   88.650   4.2314  1200.13  114.494  1204.35  127.086  1181.93  263.825   88.674   4.7124   87.269   10.091 1.405113 11.13686 
1 1 1   10   12   11 o  344.537   8.3479 18163.20  877.871 17724.47  1047.06 19201.36  1610.68  340.147   10.085  353.235   14.939 -13.08771 18.02479 
1 1 1   10   12   12 f  231.831   8.7565  8226.84  619.609  9349.37  1103.08  7709.41  748.919  246.033   14.757  224.233   10.943 21.80034 18.37168 
1 1 1   10   12   13 o  394.127   10.214 23807.64  1228.70   0.0000   0.0000 23807.64  1228.70  ?   ?   394.127   10.214 0.000000 10.21394 
1 1 1   10   12   14 f  338.190   9.6235 17523.92  993.368   0.0000   0.0000 17523.92  993.368  ?   ?   338.190   9.6235 0.000000 9.623494 
1 1 1   10   12   15 o  492.240   11.271 37188.15  1693.45 37358.61  1835.92 36216.02  4384.36  493.128   12.198  476.601   30.297 16.52722 32.65997 
1 1 1   10   12   16 o  250.346   4.9704  9575.61  379.791 10316.73  518.907  8720.57  557.363  259.744   6.5453  238.720   7.6495 21.02391 10.06754 
1 1 1   10   12   17 o  201.150   8.6545  6197.19  531.349  6365.30  673.381  5919.80  864.975  203.362   10.888  195.420   14.607 7.941544 18.21875 
1 1 1   10   12   18 o   71.695   3.0583  784.824   66.926  767.916  119.999  792.459   80.631   70.659   5.6103   71.942   3.6844 -1.282951 6.711907 
1 1 1   10   12   19 o   95.217   3.6214  1384.55  105.246  1314.88  144.526  1463.21  153.564   92.617   5.1326   97.714   5.1673 -5.096886 7.283169 
1 1 1   10   12   20 o  208.484   3.8913  6638.67  247.622  6547.40  388.449  6701.16  321.387  206.922   6.1505  209.407   5.0283 -2.484970 7.944328 
1 1 1   10   12   21 o   39.949   3.5556  245.652   42.901  222.166   75.192  256.987   52.239   37.529   6.8152   40.794   4.2582 -3.264889 8.036117 
1 1 1   10   12   22 o  145.605   3.3794  3237.57  150.188  3237.70  166.333  3237.03  349.453  145.597   3.7429  145.170   7.9166 0.4275360 8.756817 
1 1 1   10   12   23 o  378.958   8.6542 22011.87  1001.00 21995.73  1164.97 22057.41  1956.75  378.525   10.083  377.017   17.004 1.508179 19.76910 
1 1 1   10   12   24 f  106.051   3.0886  1717.37   99.974  2095.17  170.032  1517.75  123.595  117.090   4.7576   99.676   4.0625 17.41419 6.256117 
1 1 1   10   12   25 o   97.212   3.1845  1443.10   94.488  1952.79  163.788  1188.86  115.677  113.040   4.7471   88.211   4.2964 24.82845 6.402709 
1 1 1   10   12   26 o  244.986   8.4785  9201.52  633.979 10128.95  1354.70  8941.44  717.384  254.566   17.542  241.323   9.7395 13.24315 20.06464 
1 1 1   10   12   27 o  501.152   11.733 38676.07  1794.65 40749.93  4698.81 38321.88  1941.86  500.466   30.912  498.442   12.764 2.024536 33.44353 
1 1 1   10   12   28 o  193.456   3.9372  5717.47  232.477  6779.91  336.603  4748.45  321.464  210.580   5.2370  176.181   5.9780 34.39870 7.947510 
1 1 1   10   12   29 o  295.897   6.5016 13400.83  587.190 14500.45  1278.08 13106.62  661.091  306.279   13.672  292.505   7.4048 13.77451 15.54825 
1 1 1   10   12   30 o  181.538   4.6532  5037.10  257.829  5383.48  332.729  4516.53  407.898  187.596   5.8110  171.668   7.7848 15.92868 9.714426 
1 1 1   10   12   31 o  194.092   4.9369  5759.05  292.467  5874.98  375.612  5580.52  466.105  195.931   6.2809  190.791   8.0040 5.139481 10.17417 
1 1 1   10   12   32 o  134.319   6.2526  2761.07  256.340  2593.31  643.870  2792.67  279.441  128.018   16.891  134.880   6.8097 -6.862274 18.21173 
1 1 1   10   12   33 o   88.953   2.5930  1208.15   70.402  1363.81  120.052  1126.56   86.917   94.474   4.1633   85.884   3.3157 8.590340 5.322327 
1 1 1   10   12   34 o  148.078   5.4086  3353.45  244.452  3327.54  270.634  3468.26  569.688  147.468   6.0127  149.374   12.613 -1.906403 13.97303 
1 1 1   10   12   35 o  238.087   12.770  8779.69  924.603  8779.69  924.603   0.0000   0.0000  238.087   12.770  ?   ?  0.000000 12.76997 
1 1 1   10   12   36 o  234.389   4.1775  8395.34  298.863  8531.64  383.191  8183.69  477.519  236.186   5.3155  231.166   6.7678 5.020615 8.605697 
1 1 1   10   12   37 o  171.917   3.6692  4515.31  192.533  4773.84  340.426  4393.73  233.458  176.587   6.3161  169.541   4.5115 7.045670 7.761841 
1 1 1   10   12   38 o  114.947   3.9203  2018.98  137.543  2019.94  224.010  2018.41  174.259  114.674   6.4260  114.887   4.9694 -0.2129211 8.123322 
1 1 1   10   12   39 o  143.843   3.9212  3161.85  172.159  3694.68  829.251  3137.85  175.993  152.452   18.180  143.291   4.0240 9.160797 18.61971 
1 1 1   10   12   40 o   95.270   4.1046  1387.28  119.355  1235.72  175.650  1517.28  162.683   89.583   6.4675   99.435   5.3803 -9.851501 8.412811 
1 1 1   10   12   41 o   37.163   5.2811  215.537   58.218  378.464  154.626  188.626   62.842   48.599   10.713   34.576   6.1815 14.02256 12.36812 
1 1 1   10   12   42 o   60.570   3.6827  562.731   67.760  767.349  165.130  521.301   74.304   70.260   7.8336   58.241   4.2082 12.01847 8.892369 
1 1 1   10   12   43 o  133.291   3.9057  2715.98  158.897  2651.91  797.911  2718.62  162.145  127.188   21.307  133.352   3.9837 -6.163437 21.67659 
1 1 1   10   12   44 o  173.976   3.4026  4625.62  180.683  4523.83  328.878  4669.63  216.241  171.765   6.2731  174.751   4.0542 -2.985641 7.469137 
1 1 1   10   12   45 o   82.832   4.4832  1052.89  112.923  1158.94  151.850  921.672  168.904   86.767   5.7667   77.113   7.2617 9.653313 9.272902 
1 1 1   10   12   46 o  292.373   4.3197 13080.51  385.486 12682.30  533.010 13517.22  558.181  287.512   6.0738  296.802   6.1616 -9.290314 8.651941 
1 1 1   10   12   47 o  166.231   3.3299  4224.53  168.950  4717.33  305.517  4007.44  202.777  175.359   5.7081  161.829   4.1053 13.52997 7.031048 
1 1 1   10   12   48 o  129.506   3.0057  2563.72  118.811  3018.73  251.735  2433.31  134.765  140.210   5.8823  126.133   3.5005 14.07642 6.845071 
1 1 1   10   12   49 o   84.816   2.9319  1099.74   75.901  1244.46  187.382  1071.34   83.016   89.614   6.9039   83.697   3.2497 5.917046 7.630493 
1 1 1   10   12   50 o  100.587   3.1449  1547.55   96.553  1732.90  338.121  1531.10  100.748  104.699   10.732  100.040   3.2995 4.659149 11.22805 
1 1 1   10   12   51 f   54.093   3.2848  449.395   53.976  458.360  138.169  447.780   58.635   53.638   8.7406   53.963   3.5803 -0.3249016 9.445478 
1 1 1   10   12   52 o  164.468   14.295  4389.06  710.458  4389.06  710.458   0.0000   0.0000  164.468   14.295  ?   ?  0.000000 14.29489 
1 1 1   10   12   53 o   45.560   12.790  342.337  185.138   0.0000   0.0000  342.337  185.138  ?   ?    45.560   12.790 0.000000 12.78968 
1 1 1   10   13    0 o  514.076   21.973 40904.19  3433.44 40904.19  3433.44 40904.19  3433.44  514.076   21.973  514.076   21.973 0.000000 0.000000 
1 1 1   10   13    1 o  289.356   10.472 12828.16  924.866 11082.51  1131.60 16340.31  1605.10  268.200   13.871  325.692   16.147 -57.49191 21.28646 
1 1 1   10   13    2 o  426.266   10.019 27830.79  1303.48 27870.99  1412.48 27600.08  3383.77  426.440   10.852  419.151   26.587 7.288696 28.71638 
1 1 1   10   13    3 o  389.048   13.541 23254.24  1607.99 24607.90  1970.72 20557.91  2781.35  399.647   16.156  361.970   25.335 37.67752 30.04750 
1 1 1   10   13    4 o  209.249   4.1311  6686.35  263.840  7430.13  374.797  5955.68  371.478  220.523   5.5683  197.409   6.1652 23.11481 8.307609 
1 1 1   10   13    5 o  182.955   5.1021  5113.32  284.914  5844.82  769.021  4996.94  306.742  194.649   13.019  180.844   5.5572 13.80482 14.15551 
1 1 1   10   13    6 o  179.612   4.9240  4927.92  269.944  5010.64  320.600  4726.43  500.372  181.080   5.8007  175.437   9.3784 5.642715 11.02735 
1 1 1   10   13    7 o  428.648   18.218 28410.36  2383.52 29388.22  3377.64 27440.38  3364.01  432.484   25.703  417.462   26.539 15.02179 36.94541 
1 1 1   10   13    8 o  332.913   9.0917 16971.21  923.837 16618.26  1016.84 18640.23  2211.19  329.301   10.117  345.766   21.052 -16.46481 23.35698 
1 1 1   10   13    9 o  274.801   12.413 11599.15  1041.11 11983.13  1484.78 11227.76  1460.22  277.878   17.597  268.866   17.896 9.012390 25.09822 
1 1 1   10   13   10 o  214.926   5.7468  7059.74  376.993  6961.99  449.267  7292.38  693.085  213.366   6.8986  218.083   10.412 -4.717209 12.49028 
1 1 1   10   13   11 o  309.476   7.1793 14650.10  678.150 14674.12  789.976 14582.81  1322.17  309.603   8.3597  307.760   14.075 1.843079 16.37068 
1 1 1   10   13   12 o  666.430   16.529 68633.19  3362.21 72767.48  8070.52 67764.95  3698.44  665.565   39.912  661.260   18.324 4.305359 43.91759 
1 1 1   10   13   13 o  247.489   6.8458  9368.35  517.127  9685.38  1325.74  9311.46  561.614  249.522   17.518  246.685   7.4590 2.837326 19.04024 
1 1 1   10   13   14 o  236.812   6.0889  8573.91  440.106  8598.08  477.440  8437.28  1135.31  237.108   6.5971  233.136   16.053 3.972321 17.35528 
1 1 1   10   13   15 o  399.644   6.3590 24423.75  775.677 24998.11  951.382 23284.94  1339.64  404.124   7.7130  389.374   11.272 14.74960 13.65837 
1 1 1   10   13   16 o   78.332   2.6292  936.743   62.861  1054.38   88.186  815.221   89.629   83.094   3.4771   72.945   4.0414 10.14896 5.331333 
1 1 1   10   13   17 o  155.184   3.6100  3677.72  170.988  3667.43  189.331  3723.22  398.211  154.954   4.0031  155.679   8.4116 -0.7248535 9.315603 
1 1 1   10   13   18 f  203.708   5.1966  6342.19  323.107  6567.91  378.872  5740.20  618.723  207.252   5.9893  193.078   10.539 14.17377 12.12183 
1 1 1   10   13   19 o  301.442   5.4708 13890.49  503.352 14021.44  554.558 13278.04  1199.32  302.808   6.0002  293.504   13.388 9.304230 14.67078 
1 1 1   10   13   20 o  123.550   2.7220  2330.55  102.649  2540.80  140.891  2092.69  149.859  128.983   3.5788  117.041   4.1949 11.94130 5.514085 
1 1 1   10   13   21 o  308.674   5.8227 14569.88  548.583 14569.64  604.335 14571.01  1307.65  308.605   6.4159  307.236   13.945 1.369690 15.34971 
1 1 1   10   13   22 o  237.146   5.6863  8599.48  411.588  9084.51  492.056  7469.47  751.049  243.658   6.6163  220.114   11.216 23.54367 13.02223 
1 1 1   10   13   23 o  213.739   5.3334  6984.33  347.941  7955.83  1042.86  6862.64  369.090  226.208   15.192  211.841   5.7083 14.36703 16.22945 
1 1 1   10   13   24 o  160.513   3.7170  3935.46  182.104  3918.77  201.551  4009.61  424.930  160.156   4.1231  161.473   8.6533 -1.317154 9.585383 
1 1 1   10   13   25 o   77.329   5.0789  918.057  119.209  983.502  152.057  813.686  192.026   79.928   6.2836   72.295   8.8897 7.633339 10.88619 
1 1 1   10   13   26 o  113.229   3.4436  1958.18  119.011  1980.69  198.001  1945.45  148.912  113.654   5.7261  112.834   4.3239 0.8199844 7.175271 
1 1 1   10   13   27 o  226.032   4.0393  7805.78  278.673  7894.29  356.327  7666.38  447.173  227.230   5.1377  223.799   6.5464 3.431412 8.321673 
1 1 1   10   13   28 o  239.904   5.6657  8803.19  414.868  9011.43  530.728  8476.06  665.214  242.560   7.1686  234.959   9.2758 7.600906 11.72305 
1 1 1   10   13   29 o  210.899   4.1726  6796.36  268.596  7292.46  422.979  6461.15  347.695  218.283   6.3487  205.535   5.5424 12.74792 8.427535 
1 1 1   10   13   30 o  105.072   2.8116  1685.82   90.169  1758.22  176.820  1660.37  104.823  107.085   5.4276  104.265   3.2938 2.819771 6.348869 
1 1 1   10   13   31 o  192.449   5.0994  5662.89  299.537  6654.62  718.907  5454.56  329.501  207.538   11.393  188.830   5.7170 18.70816 12.74656 
1 1 1   10   13   32 o  233.888   5.1691  8364.73  369.012  8088.31  526.652  8631.33  517.200  229.743   7.5104  237.376   7.1384 -7.633865 10.36166 
1 1 1   10   13   33 o  363.614   10.371 20338.47  1150.98 20338.47  1150.98   0.0000   0.0000  363.614   10.371  ?   ?  0.000000 10.37080 
1 1 1   10   13   34 o  467.827   12.314 33783.98  1758.27 33783.98  1758.27   0.0000   0.0000  467.827   12.314  ?   ?  0.000000 12.31353 
1 1 1   10   13   35 o  274.598   4.6640 11527.04  390.910 11820.44  499.626 11063.93  627.698  277.931   5.8897  268.641   7.6553 9.290131 9.658736 
1 1 1   10   13   36 o  122.938   3.0857  2308.31  115.785  2433.93  157.856  2162.02  170.347  126.202   4.0981  118.919   4.6932 7.283096 6.230557 
1 1 1   10   13   37 o  298.093   7.9956 13633.87  727.477 13625.94  1872.49 13635.28  789.495  292.702   21.101  297.966   8.6809 -5.263855 22.81670 
1 1 1   10   13   38 o  121.076   3.4847  2239.58  128.778  2640.52  781.432  2228.39  130.563  127.678   20.766  120.771   3.5419 6.907143 21.06558 
1 1 1   10   13   39 o  213.456   2.9335  6959.06  191.122  7085.25  312.959  6884.01  241.357  215.241   4.7637  212.249   3.7256 2.991806 6.047558 
1 1 1   10   13   40 o  197.361   4.1178  5954.38  248.050  5478.03  1005.45  5985.25  255.962  185.742   17.959  197.862   4.2383 -12.11967 18.45252 
1 1 1   10   13   41 o  182.881   3.3934  5110.37  189.415  5246.81  258.360  4951.80  278.522  185.215   4.5702  179.887   5.0727 5.328018 6.827819 
1 1 1   10   13   42 o   96.430   5.6187  1428.95  164.657  1547.14  714.726  1422.32  169.208   95.729   24.392   96.185   5.7907 -0.4560318 25.06952 
1 1 1   10   13   43 o  154.549   4.9163  3655.95  231.912   0.0000   0.0000  3655.95  231.912  ?   ?   154.549   4.9163 0.000000 4.916331 
1 1 1   10   13   44 o  113.889   3.3837  1982.51  117.622   0.0000   0.0000  1982.51  117.622  ?   ?   113.889   3.3837 0.000000 3.383662 
1 1 1   10   13   45 o  207.424   6.3068  6604.25  399.289  6503.49  1162.01  6617.74  425.178  200.314   19.242  207.557   6.7115 -7.242371 20.37917 
1 1 1   10   13   46 o  102.364   3.2204  1601.81  100.618  1933.69  191.039  1474.40  118.366  112.282   5.5743   98.167   3.9504 14.11494 6.832202 
1 1 1   10   13   47 o  130.600   3.1779  2607.76  126.679  2869.09  249.820  2517.31  146.977  136.671   5.9887  128.269   3.7541 8.401352 7.068120 
1 1 1   10   13   48 o   65.133   4.1917  652.401   82.888  746.797  146.826  608.245  100.420   69.258   7.0438   62.733   5.2940 6.524414 8.811410 
1 1 1   10   13   49 o   72.117   4.6536  800.906  101.887  966.122  318.899  782.123  107.522   76.773   14.130   71.217   4.9778 5.556396 14.98085 
1 1 1   10   13   50 o   31.468   6.6137  158.424   61.506  132.509  134.710  165.249   69.133   31.187   11.163   32.073   7.2344 -0.8859940 13.30255 
1 1 1   10   13   52 o   45.899   5.5674  329.151   76.399   0.0000   0.0000  329.151   76.399  ?   ?    45.899   5.5674 0.000000 5.567376 
1 1 1   10   14    0 o  118.592   8.3318  2181.18  298.167  2181.18  298.167  2181.18  298.167  118.592   8.3318  118.592   8.3318 0.000000 0.000000 
1 1 1   10   14    1 o  370.209   8.6685 20985.49  979.507 20823.07  1137.37 21451.82  1927.19  368.554   10.111  372.564   16.947 -4.010834 19.73435 
1 1 1   10   14    2 f  359.614   6.6847 19775.14  733.730 20356.49  1037.94 19194.43  1037.36  364.520   9.3290  353.922   9.6030 10.59784 13.38831 
1 1 1   10   14    3 o  390.536   13.837 23475.17  1649.36 22860.98  2020.17 24703.08  2856.42  384.501   17.214  396.727   23.698 -12.22580 29.28966 
1 1 1   10   14    4 o  214.212   6.1713  7014.91  403.497  6957.92  442.505  7296.11  982.868  213.301   6.7968  217.065   14.926 -3.763535 16.40044 
1 1 1   10   14    5 o  277.349   6.6798 11763.18  565.466 11972.55  673.317 11262.11  1041.64  279.694   7.8871  270.672   12.608 9.021484 14.87196 
1 1 1   10   14    6 f  386.621   16.492 23099.36  1946.19 24626.42  2758.23 21585.29  2746.46  396.302   22.900  370.252   24.440 26.04965 33.49271 
1 1 1   10   14    7 o  409.764   9.9066 25742.87  1239.01 26195.85  1363.84 23602.64  2964.51  413.171   10.815  386.752   25.252 26.41949 27.47027 
1 1 1   10   14    8 f  170.480   7.3094  4446.80  380.344  4221.22  672.510  4552.89  461.185  165.062   13.466  172.180   8.8050 -7.118103 16.08910 
1 1 1   10   14    9 o  197.990   5.3812  5990.83  325.190  5929.42  386.869  6138.68  600.306  196.913   6.4369  200.089   9.8295 -3.175964 11.74959 
1 1 1   10   14   10 o   75.242   11.271  888.311  250.868   0.0000   0.0000  888.311  250.868  ?   ?    75.242   11.271 0.000000 11.27064 
1 1 1   10   14   11 o  552.674   15.152 47156.35  2556.02   0.0000   0.0000 47156.35  2556.02  ?   ?   552.674   15.152 0.000000 15.15230 
1 1 1   10   14   12 o  580.970   10.884 51825.00  1929.93 54320.07  2733.78 49346.09  2724.92  593.128   15.101  565.008   15.801 28.11908 21.85636 
1 1 1   10   14   13 o  441.312   8.5045 29835.20  1145.54 29568.49  1204.77 32349.59  3699.12  439.238   8.9864  451.124   26.989 -11.88586 28.44558 
1 1 1   10   14   14 o  416.903   9.6272 26657.29  1225.04 26104.62  1424.65 28225.51  2399.81  412.167   11.324  426.176   18.449 -14.00922 21.64729 
1 1 1   10   14   15 o  212.540   5.4336  6905.13  352.489  7009.05  383.770  6344.49  891.369  214.104   5.8726  202.218   14.539 11.88629 15.68009 
1 1 1   10   14   16 o  246.095   6.0473  9261.57  454.235 10523.55  934.470  8871.14  519.774  261.589   11.704  240.760   7.0731 20.82840 13.67514 
1 1 1   10   14   17 o  204.853   5.0869  6413.88  318.063  6527.65  371.879  6103.92  613.838  206.609   5.8971  199.149   10.132 7.460205 11.72315 
1 1 1   10   14   18 o   18.124   6.3351   44.403   43.168 -91.4002  248.490   48.629   43.835   30.206   13.429   18.668   6.3913 11.53861 14.87259 
1 1 1   10   14   19 o  234.522   6.6751  8416.40  477.811  8416.40  477.811   0.0000   0.0000  234.522   6.6751  ?   ?  0.000000 6.675056 
1 1 1   10   14   20 o  179.945   4.8152  4948.73  264.467  4907.55  337.962  5013.78  424.773  179.111   6.1820  180.922   7.6922 -1.810699 9.868445 
1 1 1   10   14   21 o  143.529   4.0227  3147.11  176.225  3307.07  225.196  2894.42  283.048  147.089   5.0161  137.518   6.7435 9.571365 8.404511 
1 1 1   10   14   22 o  112.784   3.1854  1942.55  109.656  1960.07  176.513  1931.53  139.934  113.233   5.1072  112.440   4.0774 0.7925873 6.535231 
1 1 1   10   14   23 o  128.897   4.7143  2539.33  185.472  3348.49  409.835  2330.93  207.990  147.433   9.1527  123.460   5.5195 23.97237 10.68813 
1 1 1   10   14   24 o  143.526   4.4083  3147.96  193.117  3570.88  709.606  3114.13  200.692  150.940   15.629  142.744   4.6063 8.195602 16.29378 
1 1 1   10   14   25 o   21.347   6.6902   68.946   48.485 -13.8444  463.921   69.861   48.752   44.417   19.065   21.468   6.7054 22.94877 20.20995 
1 1 1   10   14   26 o   93.803   4.2462  1344.56  121.573  1367.00  158.070  1312.06  190.221   94.382   5.5111   92.323   6.7983 2.059158 8.751493 
1 1 1   10   14   27 o  182.307   4.1585  5078.47  231.395  5186.27  346.556  4991.74  310.836  184.095   6.1676  180.650   5.6374 3.445129 8.355780 
1 1 1   10   14   28 o  318.644   7.9936 15567.21  777.441 16820.91  2048.37 15356.22  840.318  326.372   20.669  316.342   8.7030 10.03027 22.42686 
1 1 1   10   14   29 o  200.673   5.4735  6159.11  335.256  5960.08  390.677  6715.12  652.988  197.317   6.4869  208.965   10.238 -11.64806 12.12006 
1 1 1   10   14   30 o  210.667   10.743  6847.84  688.484  7409.96  1009.05  6358.21  941.752  217.983   15.262  201.802   15.406 16.18115 21.68607 
1 1 1   10   14   31 o  111.422   3.5757  1896.46  121.606  2241.57  191.891  1664.84  157.203  121.073   5.1927  104.352   4.9356 16.72134 7.164095 
1 1 1   10   14   32 o  262.008   4.3857 10491.73  350.724 11039.54  433.939  9459.72  595.600  268.672   5.2916  248.390   7.8560 20.28207 9.471985 
1 1 1   10   14   33 o  269.426   6.2880 11112.06  517.093 11364.46  605.871 10435.12  992.229  272.325   7.2891  259.918   12.507 12.40723 14.47619 
1 1 1   10   14   34 f  119.560   3.6142  2183.79  131.892  2205.74  155.593  2127.77  248.610  120.135   4.2433  117.647   6.9543 2.488091 8.146641 
1 1 1   10   14   35 o   89.656   4.9478  1232.93  134.872  1215.97  160.128  1274.33  250.206   88.936   5.9329   90.609   9.1735 -1.673233 10.92485 
1 1 1   10   14   36 o  318.322   8.4198 15558.85  818.055 16454.54  2101.26 15398.85  888.124  321.324   21.550  316.495   9.1937 4.829285 23.42895 
1 1 1   10   14   37 o  138.636   4.1024  2937.65  173.593  2854.04  277.443  2991.45  222.534  136.478   6.6603  139.833   5.2140 -3.355621 8.458429 
1 1 1   10   14   38 o  206.644   3.3082  6523.63  208.658  6795.65  312.073  6303.72  280.602  210.781   4.8507  203.038   4.5279 7.742966 6.635617 
1 1 1   10   14   39 o  128.600   2.5878  2525.61  101.577  2859.12  165.628  2324.54  128.601  136.765   3.9677  123.344   3.4159 13.42126 5.235596 
1 1 1   10   14   40 o  169.183   3.6887  4374.64  190.477  4958.83  298.939  3975.35  247.142  179.969   5.4421  161.176   5.0238 18.79347 7.406392 
1 1 1   10   14   41 o  283.669   6.6920 12344.47  579.406 13948.13  1712.83 12137.26  615.703  295.571   19.088  281.169   7.1744 14.40112 20.39187 
1 1 1   10   14   42 o   83.457   3.5085  1064.60   89.371  1274.78  166.064  978.914  106.037   90.992   6.0133   79.876   4.3659 11.11636 7.431026 
1 1 1   10   14   43 o  166.363   5.0763  4238.66  257.766  4327.92  311.973  4046.63  457.588  167.977   6.0849  161.621   9.3154 6.355469 11.12667 
1 1 1   10   14   44 o  177.250   3.3917  4802.93  183.495  4792.45  942.117  4803.35  187.077  172.166   18.204  177.251   3.4579 -5.085083 18.52997 
1 1 1   10   14   45 o  133.625   2.8409  2728.63  115.867  2648.85  252.995  2749.80  130.340  131.312   6.3123  134.120   3.1840 -2.807678 7.069896 
1 1 1   10   14   46 o   67.631   6.8889  711.260  140.219  714.865  165.012  701.891  265.976   67.552   8.1691   65.545   13.734 2.007172 15.98027 
1 1 1   10   14   47 o  174.915   5.4472  4698.02  290.817  4719.88  350.448  4649.68  521.181  175.081   6.5579  172.517   9.9399 2.564102 11.90833 
1 1 1   10   14   48 o  171.847   8.4916  4582.22  445.396  4756.36  928.805  4530.22  507.561  169.362   18.256  170.136   9.8157 -0.7738800 20.72769 
1 1 1   10   14   49 o   69.725   3.8693  747.050   82.021  716.549  166.228  756.866   94.301   67.460   8.2446   70.109   4.4296 -2.648422 9.359204 
1 1 1   10   14   51 o  175.175   10.056  4842.86  535.433  4940.53  768.887  4750.91  746.063  173.806   14.630  170.543   14.469 3.262314 20.57634 
1 1 1   10   15    0 o  105.954   8.1636  1746.38  260.401  1746.38  260.401  1746.38  260.401  105.954   8.1636  105.954   8.1636 0.000000 0.000000 
1 1 1   10   15    1 o  160.168   4.6624  3919.40  227.929  3895.70  609.575  3923.25  245.755  158.628   12.697  160.233   5.0250 -1.604980 13.65478 
1 1 1   10   15    2 o  276.159   5.5455 11656.91  467.427 12153.89  694.998 11246.44  631.621  281.737   8.0821  271.063   7.6343 10.67328 11.11767 
1 1 1   10   15    3 o   83.556   3.2265  1066.05   82.285  1114.63  121.675  1025.10  111.702   85.285   4.6923   81.792   4.4916 3.492706 6.495512 
1 1 1   10   15    4 o   81.091   4.0120  1004.35   99.301  891.745  289.433  1019.38  105.718   75.045   13.113   81.579   4.2605 -6.534149 13.78804 
1 1 1   10   15    5 o  114.120   4.8027  1989.89  167.287  1989.89  167.287   0.0000   0.0000  114.120   4.8027  ?   ?  0.000000 4.802687 
1 1 1   10   15    6 o   42.712   5.1981  282.918   66.369  282.918   66.369   0.0000   0.0000   42.712   5.1981  ?   ?  0.000000 5.198124 
1 1 1   10   15    7 f   52.427   11.032  437.915  170.951  535.735  245.852  346.345  237.868   57.808   14.067   47.522   14.806 10.28619 20.42326 
1 1 1   10   15    8 o   99.117   3.1591  1500.07   95.572  1443.11  143.961  1544.97  127.796   97.181   4.8534  100.569   4.1633 -3.388023 6.394402 
1 1 1   10   15    9 f  138.051   12.423  2955.90  517.844   0.0000   0.0000  2955.90  517.844  ?   ?   138.051   12.423 0.000000 12.42278 
1 1 1   10   15   10 o  295.707   19.320 13673.02  1734.21   0.0000   0.0000 13673.02  1734.21  ?   ?   295.707   19.320 0.000000 19.32047 
1 1 1   10   15   11 o  422.074   10.451 27353.29  1346.34 27600.76  1481.82 26182.56  3223.00  423.719   11.458  405.760   26.163 17.95947 28.56236 
1 1 1   10   15   12 f  164.443   4.8064  4132.25  241.239  3929.53  666.191  4162.84  258.803  159.012   13.865  165.035   5.1378 -6.022873 14.78629 
1 1 1   10   15   13 o  174.918   3.7940  4673.25  202.559  5127.59  316.312  4357.41  263.727  183.130   5.6590  168.846   5.1174 14.28406 7.629640 
1 1 1   10   15   14 o  106.216   5.0764  1724.37  164.574  1708.23  188.925  1775.15  335.119  105.527   5.8891  107.016   10.391 -1.489090 11.94347 
1 1 1   10   15   15 o  328.338   6.2018 16490.61  621.521 16327.06  684.618 17257.17  1482.19  326.621   6.8673  334.151   14.533 -7.530487 16.07345 
1 1 1   10   15   16 o  251.993   5.0527  9706.13  388.625 10168.48  556.497  9266.01  542.951  257.731   7.0742  246.011   7.2308 11.71954 10.11582 
1 1 1   10   15   17 o   74.493   3.2995  847.449   75.020  877.528   85.332  745.070  157.430   75.797   3.6884   69.341   7.5610 6.455986 8.412659 
1 1 1   10   15   18 o   95.426   4.2376  1391.30  123.426  1622.51  153.310  965.388  208.080  103.031   4.8751   78.857   8.7950 24.17397 10.05577 
1 1 1   10   15   19 o  257.405   4.7112 10126.35  370.140 10288.68  390.068  8658.27  1173.02  259.442   4.9259  235.569   16.417 23.87283 17.14006 
1 1 1   10   15   20 o   61.532   6.1009  584.911  113.069  946.015  288.214  519.224  122.924   77.346   12.645   57.799   7.1183 19.54765 14.51128 
1 1 1   10   15   21 o   94.362   3.1701  1359.82   91.302  1534.74  149.173  1255.05  115.453  100.200   4.8776   90.631   4.1736 9.569183 6.419487 
1 1 1   10   15   22 o   64.473   6.3222  642.203  122.812  886.349  539.699  628.870  126.121   74.354   22.135   63.761   6.5749 10.59344 23.09080 
1 1 1   10   15   23 o  319.987   6.3236 15670.50  617.608 15817.14  967.679 15569.71  802.255  320.826   9.8820  318.640   8.2489 2.186310 12.87238 
1 1 1   10   15   24 o  444.326   19.365 30942.38  2626.23   0.0000   0.0000 30942.38  2626.23  ?   ?   444.326   19.365 0.000000 19.36486 
1 1 1   10   15   25 o  170.887   5.3233  4465.82  277.654  4230.08  328.818  5051.50  518.288  166.233   6.4807  181.113   9.4081 -14.87953 11.42420 
1 1 1   10   15   26 o  148.566   3.7913  3371.98  171.917  3372.40  258.106  3371.64  230.487  148.477   5.6954  148.496   5.0853 -0.1905823E-01 7.635273 
1 1 1   10   15   27 o  151.010   4.6310  3485.68  213.449  3505.84  250.726  3432.60  406.848  151.402   5.4256  149.266   8.9717 2.135284 10.48469 
1 1 1   10   15   28 o   55.620   4.2666  475.529   71.880  516.096   79.417  291.738  169.040   57.933   4.5273   42.966   12.277 14.96638 13.08530 
1 1 1   10   15   29 o  273.953   5.2029 11476.81  435.050 11749.21  678.737 11286.85  566.792  276.797   8.0339  271.476   6.8403 5.320770 10.55143 
1 1 1   10   15   30 o  298.582   4.6371 13627.76  422.594 13945.74  556.314 13193.93  649.791  301.874   6.0378  293.444   7.2549 8.429901 9.438678 
1 1 1   10   15   31 o  138.438   3.2382  2927.19  136.830  2840.41  181.956  3040.12  207.578  136.324   4.3730  141.013   4.8229 -4.688309 6.510213 
1 1 1   10   15   32 o  159.370   7.1517  3892.01  347.883  4221.76  584.851  3711.46  432.767  165.023   11.687  155.159   9.1790 9.864380 14.86067 
1 1 1   10   15   33 o  182.163   3.9285  5070.65  218.429  5343.55  321.530  4836.78  297.659  186.875   5.6371  177.805   5.4848 9.069687 7.865059 
1 1 1   10   15   34 o  234.177   4.4780  8383.47  320.072  8994.34  464.029  7829.04  442.069  242.358   6.2729  226.097   6.4059 16.26064 8.965749 
1 1 1   10   15   35 o   83.915   3.7346  1076.00   95.653  1411.10  204.130  981.719  108.276   95.689   7.0386   80.010   4.4514 15.67950 8.328032 
1 1 1   10   15   36 o  238.873   5.1065  8729.51  372.315  8618.46  570.278  8812.01  491.522  236.946   7.8853  239.784   6.7159 -2.838257 10.35770 
1 1 1   10   15   37 o   33.411   6.8254  177.359   67.252   30.414  167.854  205.458   73.401   28.345   11.776   36.006   6.9306 -7.660473 13.66444 
1 1 1   10   15   38 o   83.280   2.8016  1059.33   71.215  1119.76  152.258  1042.40   80.571   85.301   5.8840   82.602   3.1958 2.699562 6.695805 
1 1 1   10   15   39 o  239.256   4.7988  8758.70  350.440  9282.40  507.261  8280.54  484.702  245.992   6.7561  232.324   6.8354 13.66800 9.610785 
1 1 1   10   15   40 o  134.965   3.7302  2784.58  153.663  2942.03  241.023  2676.76  199.454  138.573   5.6985  132.242   4.9415 6.330551 7.542651 
1 1 1   10   15   41 o  119.302   2.9251  2174.54  106.513  2287.49  212.816  2136.80  123.030  122.170   5.7072  118.238   3.4091 3.931160 6.647874 
1 1 1   10   15   42 o  137.275   4.0241  2882.49  168.608  2694.60  254.700  3029.05  224.956  132.505   6.2977  140.609   5.2417 -8.103790 8.193636 
1 1 1   10   15   43 o  192.881   5.5249  5704.67  325.260  5778.12  355.773  5330.72  802.747  194.035   6.0072  183.416   14.456 10.61882 15.65479 
1 1 1   10   15   44 f  102.012   3.9343  1592.38  122.499  1612.94  137.235  1511.80  271.729  102.636   4.3808   98.417   9.1506 4.218773 10.14521 
1 1 1   10   15   45 o  230.414   6.7534  8173.23  474.950  8180.13  525.599  8142.48  1108.91  230.285   7.4778  224.839   16.269 5.445602 17.90493 
1 1 1   10   15   46 f  178.853   5.8594  4917.78  319.863  4944.74  355.827  4804.26  730.120  179.190   6.5059  173.370   13.915 5.819397 15.36063 
1 1 1   10   15   47 o   37.549   5.4917  221.201   61.080  434.311  606.851  219.020   61.391   58.635   23.086   37.348   5.5546 21.28708 23.74507 
1 1 1   10   15   48 o   78.535   3.7608  944.777   90.148  1119.93  171.486  877.888  105.972   84.915   6.6702   75.493   4.6213 9.421982 8.114639 
1 1 1   10   15   49 o   48.919   13.498  396.699  208.104   0.0000   0.0000  396.699  208.104  ?   ?    48.919   13.498 0.000000 13.49754 
1 1 1   10   16    0 o  249.015   7.2550  9501.11  550.359  9501.11  550.359  9501.11  550.359  249.015   7.2550  249.015   7.2550 0.000000 0.000000 
1 1 1   10   16    1 o  175.253   4.9860  4693.86  266.709  4237.73  312.336  5921.97  512.498  166.460   6.1475  196.583   8.5414 -30.12285 10.52364 
1 1 1   10   16    2 o  152.187   8.8113  3561.89  407.542  3434.23  580.594  3685.88  572.199  148.764   12.915  154.281   12.252 -5.516541 17.80184 
1 1 1   10   16    3 o  223.184   10.850  7652.69  739.120  7543.09  1047.62  7761.30  1042.94  220.251   15.686  223.506   15.382 -3.255447 21.96939 
1 1 1   10   16    4 o  176.352   5.3997  4754.12  290.645  4746.49  318.164  4792.57  714.422  176.181   5.9166  175.812   13.415 0.3686829 14.66150 
1 1 1   10   16    5 o  148.854   5.6157  3387.64  255.143  2926.36  278.761  5768.93  633.367  138.301   6.6037  193.487   10.767 -55.18553 12.63115 
1 1 1   10   16    6 o  372.716   13.278 21417.45  1510.57 22089.83  2620.88 21082.97  1848.48  374.073   23.067  368.806   16.421 5.266785 28.31519 
1 1 1   10   16    7 o  342.354   21.970 18461.67  2283.65   0.0000   0.0000 18461.67  2283.65  ?   ?   342.354   21.970 0.000000 21.97023 
1 1 1   10   16    8 o   60.604   14.569  590.025  266.165   0.0000   0.0000  590.025  266.165  ?   ?    60.604   14.569 0.000000 14.56892 
1 1 1   10   16    9 o   75.957   13.273  914.944  296.507   0.0000   0.0000  914.944  296.507  ?   ?    75.957   13.273 0.000000 13.27257 
1 1 1   10   16   10 o   96.252   4.2699  1415.42  125.443  1446.11  134.691  1214.65  344.487   97.283   4.5361   87.792   13.270 9.490219 14.02373 
1 1 1   10   16   11 o  184.129   5.2111  5182.73  292.865  5090.46  347.221  5410.21  545.170  182.417   6.2363  187.517   9.5569 -5.100159 11.41164 
1 1 1   10   16   12 o  240.479   9.2779  8873.08  680.998  9502.42  1191.32  8567.62  829.968  247.102   15.880  235.960   11.524 11.14134 19.62066 
1 1 1   10   16   13 o  101.208   3.1202  1564.19   96.387  1850.22  145.488  1340.42  128.678  110.042   4.3316   93.659   4.5013 16.38365 6.246979 
1 1 1   10   16   14 o  121.579   3.4064  2257.50  126.407  2351.72  196.300  2190.75  165.223  124.029   5.1854  119.734   4.5210 4.294960 6.879524 
1 1 1   10   16   15 o  352.378   6.5351 19003.07  702.875 18791.11  774.043 19999.29  1678.11  350.295   7.2396  359.243   15.304 -8.947937 16.93030 
1 1 1   10   16   16 o  269.152   6.3529 11085.53  521.902 11049.74  608.603 11184.99  1014.55  268.585   7.4240  269.350   12.341 -0.7655640 14.40168 
1 1 1   10   16   17 o   71.794   3.7851  789.577   82.650  774.759   89.194  879.587  219.831   71.090   4.1284   75.043   9.8343 -3.953178 10.66569 
1 1 1   10   16   18 o   93.067   4.6992  1327.23  133.055  1367.57  153.168  1203.15  268.605   94.420   5.3366   87.896   10.202 6.524292 11.51344 
1 1 1   10   16   19 o  235.761   4.6400  8495.51  333.894  8511.24  368.412  8423.17  790.054  235.940   5.1158  233.924   11.065 2.016174 12.19071 
1 1 1   10   16   20 o  515.389   8.9559 40770.57  1408.84 42890.52  1997.57 38672.43  1987.27  527.233   12.413  500.366   13.012 26.86627 17.98344 
1 1 1   10   16   21 o   20.593   8.5988   11.777   90.135   0.0000   0.0000   11.777   90.135  ?   ?    20.593   8.5988 0.000000 8.598781 
1 1 1   10   16   22 o  424.928   9.5067 27738.83  1233.00   0.0000   0.0000 27738.83  1233.00  ?   ?   424.928   9.5067 0.000000 9.506707 
1 1 1   10   16   23 o  107.720   3.7209  1772.66  122.339  1860.74  163.030  1659.15  185.088  110.325   4.8415  103.972   5.8562 6.353020 7.598383 
1 1 1   10   16   24 o  384.645   7.7939 22681.41  915.021 25848.53  2736.42 22282.70  970.911  403.587   22.301  381.123   8.3464 22.46375 23.81133 
1 1 1   10   16   25 o  215.636   4.2419  7105.81  279.190  7130.95  320.530  7026.77  568.343  215.971   4.8625  213.971   8.7024 1.999893 9.968695 
1 1 1   10   16   26 o   70.401   5.1016  761.818  108.880  737.830  142.611  795.338  168.586   69.074   6.8549   71.603   7.8421 -2.529694 10.41575 
1 1 1   10   16   27 o  237.097   3.9855  8589.44  288.422  9007.14  369.637  7939.27  461.160  242.711   4.9896  227.704   6.6353 15.00671 8.302063 
1 1 1   10   16   28 o  115.927   3.7174  2053.15  131.536  2025.39  146.218  2170.92  301.183  115.125   4.1611  118.659   8.3697 -3.533295 9.347004 
1 1 1   10   16   29 o  182.591   4.2230  5095.11  235.352  5080.76  328.723  5110.20  337.113  182.211   5.9107  182.726   6.0444 -0.5157623 8.454095 
1 1 1   10   16   30 o   94.618   4.4567  1368.45  128.707  1426.80  140.574  1065.95  320.065   96.603   4.7676   82.002   13.239 14.60138 14.07115 
1 1 1   10   16   31 o   50.960   5.9117  402.781   90.244  426.572   98.371  276.380  226.743   52.413   6.2738   43.421   14.538 8.991600 15.83359 
1 1 1   10   16   32 f  166.377   4.2677  4231.11  216.725  4206.78  229.015  4439.73  670.566  165.882   4.5232  168.827   13.116 -2.945282 13.87417 
1 1 1   10   16   33 o  306.116   7.3189 14369.72  683.836 14901.59  756.875 12006.13  1595.55  311.594   7.9583  275.404   19.099 36.18976 20.69088 
1 1 1   10   16   34 o  419.004   6.4315 26897.54  822.527 29583.29  1487.71 25715.13  987.118  437.732   11.135  409.286   7.9018 28.44547 13.65387 
1 1 1   10   16   35 o  239.930   4.8430  8805.70  354.665  9929.85  544.791  7978.83  467.237  254.462   7.0144  228.144   6.7098 26.31718 9.706871 
1 1 1   10   16   36 o   93.549   3.0865  1336.90   88.129  1284.98  130.841  1380.02  119.232   91.535   4.6990   95.009   4.1116 -3.474312 6.243887 
1 1 1   10   16   37 o  102.339   4.2709  1601.57  133.406  1662.57  170.364  1504.86  214.503  104.070   5.3818   98.765   7.1644 5.304939 8.960555 
1 1 1   10   16   38 o  113.612   4.2131  1974.00  146.097  2139.92  598.374  1963.48  150.657  115.154   17.582  113.300   4.3565 1.853386 18.11372 
1 1 1   10   16   39 o   88.734   2.7489  1202.79   74.451  1280.28  157.963  1180.65   84.416   91.228   5.7016   87.901   3.1464 3.326515 6.512133 
1 1 1   10   16   40 o  109.152   3.3415  1821.04  111.324  1882.83  188.311  1787.84  138.025  110.697   5.5915  108.106   4.1831 2.590897 6.983068 
1 1 1   10   16   41 o  225.320   5.2105  7779.40  358.340  7671.03  377.230  8780.85  1146.77  223.689   5.5252  234.874   16.093 -11.18568 17.01551 
1 1 1   10   16   42 o  106.967   11.456  1802.65  368.211  1414.21  764.261  1920.06  420.194   89.967   26.223  110.034   12.747 -20.06765 29.15751 
1 1 1   10   16   43 o  164.003   5.1525  4124.58  257.921  4100.46  306.285  4183.40  478.224  163.358   6.1428  163.934   9.5994 -0.5758667 11.39660 
1 1 1   10   16   44 o   92.961   5.2810  1330.46  149.223  1432.68  189.486  1163.54  242.130   96.269   6.4865   86.076   9.3673 10.19294 11.39391 
1 1 1   10   16   45 o  169.360   4.0368  4393.36  208.673  4750.31  343.500  4184.59  262.704  175.619   6.4082  165.086   5.2136 10.53326 8.261184 
1 1 1   10   16   46 o   83.756   3.1245  1073.17   79.875  1020.58  663.179  1073.95   80.460   75.892   24.841   83.785   3.1463 -7.892303 25.03898 
1 1 1   10   16   47 o   81.671   3.7243  1021.81   92.840  933.968  177.682  1054.80  108.886   77.259   7.6348   82.814   4.3228 -5.555252 8.773637 
1 1 1   10   16   48 o   69.603   12.781  796.187  261.513   0.0000   0.0000  796.187  261.513  ?   ?    69.603   12.781 0.000000 12.78063 
1 1 1   10   17    0 o   48.564   4.7323  370.314   68.617  370.314   68.617  370.314   68.617   48.564   4.7323   48.564   4.7323 0.000000 0.000000 
1 1 1   10   17    1 o  202.692   4.5411  6277.99  280.943  5960.47  396.878  6596.90  397.750  197.359   6.5885  207.654   6.2756 -10.29538 9.098927 
1 1 1   10   17    2 o  173.796   5.3826  4618.04  285.528  4767.41  705.994  4588.83  312.200  175.287   13.295  173.214   5.9052 2.073715 14.54720 
1 1 1   10   17    3 o  138.892   7.1139  2961.09  300.566  2333.37  499.395  3317.62  376.366  122.209   13.620  146.874   8.4309 -24.66463 16.01817 
1 1 1   10   17    4 o  198.770   5.9213  6043.01  359.242  5290.20  424.755  7934.56  673.296  185.854   7.4877  227.340   9.7031 -41.48619 12.25629 
1 1 1   10   17    5 o  374.160   23.848 22217.99  2709.28   0.0000   0.0000 22217.99  2709.28  ?   ?   374.160   23.848 0.000000 23.84775 
1 1 1   10   17    6 o  269.696   18.106 11381.29  1481.79   0.0000   0.0000 11381.29  1481.79  ?   ?   269.696   18.106 0.000000 18.10600 
1 1 1   10   17    7 o  164.626   13.329  4209.92  664.021   0.0000   0.0000  4209.92  664.021  ?   ?   164.626   13.329 0.000000 13.32941 
1 1 1   10   17    8 o  109.452   12.368  1869.27  405.929   0.0000   0.0000  1869.27  405.929  ?   ?   109.452   12.368 0.000000 12.36789 
1 1 1   10   17    9 o  115.973   6.8317  2065.99  240.756  2018.71  428.364  2087.81  291.081  113.754   12.546  116.415   8.2453 -2.660942 15.01312 
1 1 1   10   17   10 o  143.826   4.6901  3161.52  205.889  3004.35  242.169  3571.38  391.066  140.158   5.6609  152.384   8.4410 -12.22569 10.16345 
1 1 1   10   17   11 o  377.528   9.8851 21895.00  1139.06 21626.39  1253.01 23173.46  2733.68  374.926   10.949  381.924   23.566 -6.998260 25.98521 
1 1 1   10   17   12 o  303.576   13.724 14245.90  1271.63 14778.64  1802.55 13718.09  1794.19  306.716   19.354  295.160   20.034 11.55579 27.85572 
1 1 1   10   17   13 o  253.925   6.6407  9870.16  514.676 10136.91  565.084  8571.98  1246.62  257.265   7.1964  233.882   17.592 23.38281 19.00697 
1 1 1   10   17   14 o  105.470   4.4879  1700.05  144.475  1714.67  155.329  1606.22  393.395  105.912   4.8050  101.183   13.042 4.729385 13.89871 
1 1 1   10   17   15 o  268.938   5.5414 11062.19  454.869 11002.94  478.758 11611.85  1458.22  268.184   5.8488  272.306   17.640 -4.122711 18.58394 
1 1 1   10   17   16 o  130.186   3.7409  2589.15  148.648  2583.00  156.704  2644.37  469.640  130.024   3.9486  130.438   11.928 -0.4137878 12.56484 
1 1 1   10   17   17 o   37.519   7.8585  223.845   87.109  262.596  116.007  173.750  131.899   40.541   9.5348   34.145   11.073 6.396214 14.61253 
1 1 1   10   17   18 o   78.783   3.4905  948.083   83.933  1164.65  102.881  517.066  145.140   87.310   3.8606   57.438   8.5387 29.87259 9.370861 
1 1 1   10   17   19 o  146.277   4.2966  3269.92  191.831  3264.12  593.068  3270.60  202.729  144.647   13.593  146.281   4.5406 -1.633942 14.33091 
1 1 1   10   17   20 o  225.089   8.9342  7778.24  613.802   0.0000   0.0000  7778.24  613.802  ?   ?   225.089   8.9342 0.000000 8.934238 
1 1 1   10   17   21 o  219.512   5.8458  7372.62  391.670   0.0000   0.0000  7372.62  391.670  ?   ?   219.512   5.8458 0.000000 5.845807 
1 1 1   10   17   22 o  122.546   3.1439  2293.56  117.593  2441.79  137.293  1885.36  227.837  126.431   3.5578  110.751   6.7725 15.67944 7.650158 
1 1 1   10   17   23 o   51.795   3.9301  412.256   61.668  332.815  136.064  432.793   69.182   45.646   10.039   53.041   4.3106 -7.395329 10.92551 
1 1 1   10   17   24 o  104.409   3.2617  1665.02  103.946  1734.86  120.941  1467.58  203.346  106.564   3.7183   97.649   6.8663 8.914772 7.808450 
1 1 1   10   17   25 o  172.726   4.0077  4558.70  211.288  5118.24  319.829  4125.40  281.449  182.901   5.7291  164.214   5.6153 18.68697 8.022103 
1 1 1   10   17   26 o  220.065   5.6897  7409.58  382.173  7304.13  446.439  7698.78  739.357  218.387   6.6976  223.576   10.835 -5.188507 12.73759 
1 1 1   10   17   27 o  319.641   7.3002 15659.08  712.219 17520.81  1455.48 15072.95  816.675  336.128   14.187  313.357   8.5387 22.77130 16.55828 
1 1 1   10   17   28 o  148.910   4.5495  3389.80  206.778  3555.17  225.913  2535.81  513.387  152.481   4.8541  127.291   13.416 25.18973 14.26701 
1 1 1   10   17   29 o  167.757   5.6055  4306.28  287.020  4145.25  312.542  5173.24  725.187  164.540   6.2233  182.339   13.118 -17.79924 14.51930 
1 1 1   10   17   30 o  257.801   4.7291 10162.60  372.117 11113.57  558.143  9401.67  499.271  269.313   6.7900  247.731   6.6030 21.58206 9.471176 
1 1 1   10   17   31 o   75.383   3.2536  868.070   74.861  807.986  111.055  918.110  101.348   72.504   5.0499   77.378   4.3083 -4.874077 6.637975 
1 1 1   10   17   32 o  313.950   6.6714 15105.74  639.285 15794.88  824.257 14065.37  1012.75  320.631   8.4225  301.858   10.992 18.77304 13.84792 
1 1 1   10   17   33 o   88.484   5.9127  1204.33  158.768  1373.81  218.493  1014.73  231.101   94.298   7.6575   80.623   9.5787 13.67499 12.26331 
1 1 1   10   17   34 o  278.516   6.6448 11893.09  564.875 14217.16  1626.05 11574.13  602.391  299.772   17.852  274.649   7.1859 25.12302 19.24439 
1 1 1   10   17   35 o  252.363   5.8060  9755.74  447.221  9632.29  556.146  9981.65  752.345  250.496   7.2740  254.424   9.6882 -3.928436 12.11491 
1 1 1   10   17   36 o   94.039   6.7002  1363.49  191.058  1565.32  456.014  1320.52  210.417   98.756   15.650   92.412   7.5253 6.343964 17.36560 
1 1 1   10   17   37 o  151.204   4.7627  3499.07  219.803  3367.74  279.207  3713.10  356.447  148.196   6.1727  155.431   7.5135 -7.234680 9.723895 
1 1 1   10   17   38 o   90.272   3.4631  1245.65   95.419  1440.47  158.224  1134.30  119.618   96.817   5.3755   85.970   4.5751 10.84660 7.058819 
1 1 1   10   17   39 o  251.397   5.1765  9682.94  397.207  9692.67  576.126  9674.13  548.373  250.980   7.5208  250.835   7.1626 0.1443939 10.38579 
1 1 1   10   17   40 o   27.128   9.0502  107.576   87.874   98.262   93.748  174.990  252.222   26.704   9.3357   39.346   15.049 -12.64249 17.70978 
1 1 1   10   17   41 o   83.295   4.5462  1065.78  115.142  933.202  425.717  1076.24  119.599   74.544   18.733   83.685   4.7014 -9.140541 19.31401 
1 1 1   10   17   42 o  132.175   3.0871  2671.07  124.540  2783.43  173.428  2551.43  178.955  134.819   4.2145  129.042   4.5436 5.776794 6.197274 
1 1 1   10   17   43 o  166.933   4.1089  4268.21  209.356  4567.90  347.414  4097.32  262.340  172.200   6.6099  163.368   5.2611 8.832138 8.448112 
1 1 1   10   17   44 o  158.113   2.8675  3822.70  138.385  3898.80  309.433  3803.67  154.721  159.068   6.3733  157.679   3.2148 1.389053 7.138218 
1 1 1   10   17   45 o  107.600   3.2570  1771.79  106.967  1749.13  721.713  1772.30  108.161   98.061   24.249  107.612   3.2930 -9.551224 24.47153 
1 1 1   10   17   46 o   24.558   5.2222   96.244   37.940   0.0000   0.0000   96.244   37.940  ?   ?    24.558   5.2222 0.000000 5.222178 
1 1 1   10   17   47 o  145.157   4.8220  3238.78  213.640   0.0000   0.0000  3238.78  213.640  ?   ?   145.157   4.8220 0.000000 4.821995 
1 1 1   10   18    0 o  175.348   5.9223  4713.80  316.144  4713.80  316.144  4713.80  316.144  175.348   5.9223  175.348   5.9223 0.000000 0.000000 
1 1 1   10   18    1 f  160.052   3.9659  3913.62  193.739  3705.39  274.435  4120.50  273.543  155.641   5.7770  164.148   5.4598 -8.506943 7.948730 
1 1 1   10   18    2 o  166.210   9.3296  4254.50  471.385  4169.46  669.417  4338.15  663.897  163.721   13.517  167.111   13.122 -3.389725 18.83825 
1 1 1   10   18    3 o  118.858   13.452  2209.79  479.419   0.0000   0.0000  2209.79  479.419  ?   ?   118.858   13.452 0.000000 13.45187 
1 1 1   10   18    4 f  152.123   14.389  3612.99  660.180   0.0000   0.0000  3612.99  660.180  ?   ?   152.123   14.389 0.000000 14.38934 
1 1 1   10   18    5 o  160.566   13.853  4015.66  672.261   0.0000   0.0000  4015.66  672.261  ?   ?   160.566   13.853 0.000000 13.85288 
1 1 1   10   18    6 o  310.751   8.2866 14808.33  785.972 14653.88  863.518 15554.23  1897.68  308.962   9.1569  314.331   19.882 -5.369293 21.88943 
1 1 1   10   18    7 o   74.297   9.2039  860.178  204.251   0.0000   0.0000  860.178  204.251  ?   ?    74.297   9.2039 0.000000 9.203946 
1 1 1   10   18    8 o   67.742   4.3122  704.097   88.696  693.689   98.316  749.614  205.598   67.192   4.8261   69.133   10.037 -1.941475 11.13684 
1 1 1   10   18    9 f  271.797   6.8340 11311.79  566.938 11221.06  674.518 11530.15  1046.40  270.510   8.1694  273.327   12.543 -2.816040 14.96881 
1 1 1   10   18   10 o  190.705   8.0701  5576.44  469.742  4844.05  821.395  5932.37  572.622  176.005   15.446  196.513   9.5468 -20.50774 18.15841 
1 1 1   10   18   11 o  320.149   7.7844 15711.27  760.671 15631.65  906.300 15901.05  1399.21  319.035   9.3071  320.401   14.308 -1.366211 17.06851 
1 1 1   10   18   12 o  302.077   7.7094 13986.83  710.817 13476.43  846.635 15205.97  1308.48  296.208   9.3645  313.505   13.674 -17.29730 16.57348 
1 1 1   10   18   13 o  371.626   16.564 21505.41  1878.84 20740.59  2664.06 22262.27  2650.17  360.081   24.383  373.816   23.344 -13.73517 33.75644 
1 1 1   10   18   14 o   73.507   4.2084  828.392   94.027  874.471  101.629  554.489  247.778   75.512   4.4288   58.693   14.023 16.81940 14.70574 
1 1 1   10   18   15 o  181.438   14.289  5131.10  784.930  5131.10  784.930   0.0000   0.0000  181.438   14.289  ?   ?  0.000000 14.28943 
1 1 1   10   18   16 o  116.216   4.7050  2064.65  166.897  2047.80  179.811  2169.51  448.485  115.724   5.0907  117.863   12.665 -2.138931 13.65019 
1 1 1   10   18   17 o  144.570   4.9918  3195.72  220.270  3200.58  238.995  3168.24  567.672  144.656   5.4130  142.557   13.196 2.099609 14.26320 
1 1 1   10   18   18 o  398.535   10.374 24438.99  1261.91   0.0000   0.0000 24438.99  1261.91  ?   ?   398.535   10.374 0.000000 10.37393 
1 1 1   10   18   19 o  327.310   7.8296 16426.59  782.201 16554.46  934.460 16127.28  1429.70  328.260   9.3267  322.474   14.526 5.785217 17.26203 
1 1 1   10   18   20 o  110.149   3.5585  1853.41  119.638  1892.07  187.876  1827.04  155.166  111.215   5.5347  109.325   4.6501 1.889862 7.228817 
1 1 1   10   18   21 o  162.729   3.7584  4045.69  186.674  4141.73  204.494  3565.52  457.228  164.634   4.0695  151.956   9.9125 12.67719 10.71532 
1 1 1   10   18   22 o   56.687   8.3826  503.592  140.663  574.513  171.569  358.176  245.673   60.404   9.6291   48.180   15.053 12.22477 17.86934 
1 1 1   10   18   23 o  165.970   3.0060  4206.84  152.275  4506.35  207.941  3860.49  223.610  171.731   3.9671  158.914   4.6101 12.81683 6.082052 
1 1 1   10   18   24 o  136.660   5.1383  2856.22  214.329  3847.40  472.831  2599.90  240.450  157.858   9.8629  130.330   6.0445 27.52805 11.56775 
1 1 1   10   18   25 o  109.722   4.4308  1840.25  148.388  1630.01  183.826  2233.44  251.395  103.036   5.8695  120.548   6.8609 -17.51176 9.029029 
1 1 1   10   18   26 f  220.895   7.0892  7478.25  477.970  7770.16  818.788  7327.36  588.683  223.969   12.021  218.401   8.8310 5.568024 14.91649 
1 1 1   10   18   27 o  198.285   4.2626  6009.69  257.978  6079.82  373.180  5945.51  357.027  199.270   6.1356  197.077   5.9354 2.192795 8.536643 
1 1 1   10   18   28 o  157.575   7.4057  3808.01  356.182  3499.86  565.612  4010.51  458.516  149.896   12.476  161.210   9.3588 -11.31395 15.59600 
1 1 1   10   18   29 o  367.790   6.2465 20718.68  701.215 21196.56  772.739 18489.80  1668.85  371.880   6.8079  344.050   15.892 27.83035 17.28885 
1 1 1   10   18   30 o  242.729   4.7089  9010.79  348.863  9638.51  507.575  8448.74  480.289  250.777   6.6313  234.778   6.7024 15.99823 9.428431 
1 1 1   10   18   31 o  137.386   3.5913  2884.30  150.596  3227.51  266.859  2723.92  182.419  145.159   6.0231  133.463   4.4781 11.69521 7.505410 
1 1 1   10   18   32 f  184.314   8.1320  5221.00  457.483   0.0000   0.0000  5221.00  457.483  ?   ?   184.314   8.1320 0.000000 8.132011 
1 1 1   10   18   33 o  150.719   4.8760  3476.02  224.309  3654.99  305.168  3265.69  330.825  154.394   6.4758  145.640   7.4673 8.753601 9.884138 
1 1 1   10   18   34 o  237.552   6.5672  8656.14  476.162 11452.81  1484.02  8335.18  502.744  268.144   18.241  233.012   7.0689 35.13248 19.56264 
1 1 1   10   18   35 o  128.874   9.2914  2575.16  363.027   0.0000   0.0000  2575.16  363.027  ?   ?   128.874   9.2914 0.000000 9.291352 
1 1 1   10   18   36 o  164.137   5.0807  4125.88  254.535  4097.93  299.377  4198.78  483.505  163.468   6.0002  164.558   9.6689 -1.090088 11.37940 
1 1 1   10   18   37 o  119.509   4.6123  2186.40  168.242  2342.47  585.917  2172.37  175.639  120.608   16.337  119.107   4.8313 1.500679 17.03626 
1 1 1   10   18   38 o   41.202   4.1942  262.465   52.010  504.546   96.264  162.671   61.807   57.088   5.5966   31.965   6.5550 25.12309 8.619176 
1 1 1   10   18   39 o   82.017   5.7983  1037.59  144.217  1032.89  187.152  1044.48  226.284   81.519   7.6097   81.632   9.2449 -0.1130676 11.97396 
1 1 1   10   18   40 o   79.394   3.3385  963.994   80.902  1195.62  140.572  849.279   98.928   88.129   5.2498   74.336   4.3795 13.79240 6.836657 
1 1 1   10   18   41 o   78.463   3.3553  941.765   80.355  1120.13  141.035  856.036   97.777   85.237   5.4495   74.627   4.3110 10.61044 6.948545 
1 1 1   10   18   42 o  105.194   3.6611  1693.99  117.550  1806.59  226.648  1652.56  137.487  107.994   6.9123  103.835   4.3381 4.158836 8.160799 
1 1 1   10   18   43 o  143.784   3.2127  3163.34  140.992  3108.94  289.181  3180.31  161.486  141.928   6.6755  144.112   3.6713 -2.183670 7.618451 
1 1 1   10   18   44 o   84.034   3.1383  1080.64   80.493  782.004  714.624  1084.48   81.009   68.807   25.544   84.182   3.1528 -15.37449 25.73745 
1 1 1   10   18   45 o   93.078   3.3598  1326.66   95.450   0.0000   0.0000  1326.66   95.450  ?   ?    93.078   3.3598 0.000000 3.359777 
1 1 1   10   19    0 o  244.930   16.896  9375.90  1249.32  9375.90  1249.32  9375.90  1249.32  244.930   16.896  244.930   16.896 0.000000 0.000000 
1 1 1   10   19    1 o   69.348   14.353  771.827  293.781   0.0000   0.0000  771.827  293.781  ?   ?    69.348   14.353 0.000000 14.35251 
1 1 1   10   19    4 o  170.195   9.2125  4461.48  476.783  2687.77  659.292  6406.10  690.326  130.284   16.983  203.638   11.149 -73.35423 20.31571 
1 1 1   10   19    5 o  207.039   8.6674  6578.63  547.717  4909.38  930.686  7463.10  677.456  176.531   17.504  220.301   10.075 -43.76947 20.19615 
1 1 1   10   19    6 o  344.234   8.4620 18181.60  889.090 17499.28  1058.31 19818.39  1639.12  337.282   10.280  357.335   15.029 -20.05215 18.20825 
1 1 1   10   19    7 o  112.264   4.5073  1926.34  154.445  1925.24  167.565  1932.55  398.151  112.216   4.8923  111.323   11.902 0.8933716 12.86845 
1 1 1   10   19    8 o  181.767   7.7958  5065.46  432.506  3981.54  747.685  5610.55  530.219  159.344   15.572  191.140   9.0884 -31.79543 18.03037 
1 1 1   10   19    9 o  157.198   7.4535  3787.19  357.623  3204.64  627.067  4068.00  435.366  143.053   14.565  162.552   8.8079 -19.49854 17.02077 
1 1 1   10   19   10 o   35.918   5.9909  202.709   63.364  208.942   69.245  170.620  157.113   36.404   6.4689   34.973   12.094 1.431618 13.71500 
1 1 1   10   19   11 o  332.904   14.918 17202.40  1515.86 17112.92  2153.07 17290.35  2134.54  328.394   21.601  330.280   21.288 -1.885223 30.32767 
1 1 1   10   19   12 o   77.324   4.7606  917.519  111.809  864.813  120.186  1256.56  304.822   75.012   5.2831   89.592   11.406 -14.57932 12.56988 
1 1 1   10   19   13 o  174.680   5.8048  4668.84  309.490  4459.00  339.237  5710.43  755.796  170.652   6.5129  191.765   12.989 -21.11240 14.53070 
1 1 1   10   19   14 o  327.551   11.913 16554.18  1191.04 16997.74  2072.94 16335.59  1455.22  327.660   20.836  324.460   14.694 3.199432 25.49608 
1 1 1   10   19   15 o  239.871   5.7632  8803.69  421.949  9311.01  500.956  7564.95  782.798  246.580   6.6562  221.184   11.636 25.39595 13.40540 
1 1 1   10   19   16 o  127.320   8.6835  2499.82  335.434   0.0000   0.0000  2499.82  335.434  ?   ?   127.320   8.6835 0.000000 8.683463 
1 1 1   10   19   17 o  156.624   6.0251  3754.37  288.031  3646.30  318.977  4231.62  670.345  154.295   6.7731  164.828   13.441 -10.53310 15.05155 
1 1 1   10   19   18 o  231.874   5.6760  8226.10  401.712  8742.98  490.684  7175.57  699.537  238.925   6.7286  215.879   10.617 23.04599 12.56922 
1 1 1   10   19   19 o  426.933   9.1055 28000.82  1186.53 28428.64  1381.75 26799.51  2315.39  429.704   10.535  413.538   18.344 16.16626 21.15391 
1 1 1   10   19   20 o   93.796   2.8043  1343.49   80.284  1540.29  114.366  1152.28  112.729  100.407   3.7318   86.830   4.2535 13.57712 5.658515 
1 1 1   10   19   21 o  224.872   5.2302  7734.45  358.978  7940.81  451.316  7379.04  592.293  227.714   6.4934  219.187   8.8533 8.526688 10.97932 
1 1 1   10   19   22 o  127.315   3.2651  2475.90  126.881  2446.53  168.930  2513.92  192.184  126.513   4.3748  128.217   4.9108 -1.704041 6.576846 
1 1 1   10   19   23 o  187.116   5.2383  5355.84  299.172  5439.34  355.918  5154.79  552.270  188.482   6.1867  182.752   9.9382 5.729980 11.70656 
1 1 1   10   19   24 o  204.534   4.4516  6395.44  277.907  6227.57  402.609  6548.21  384.086  201.629   6.5420  206.807   6.0848 -5.177719 8.934380 
1 1 1   10   19   25 o  128.143   4.4333  2510.43  173.396  2561.24  199.000  2350.22  353.375  129.400   5.0385  123.246   9.4663 6.154419 10.72363 
1 1 1   10   19   26 o  212.910   6.0665  6941.69  394.232  6859.19  429.084  7388.58  998.604  211.569   6.6447  217.227   15.156 -5.658340 16.54883 
1 1 1   10   19   27 o  354.253   9.3227 19312.50  1008.02 19312.50  1008.02   0.0000   0.0000  354.253   9.3227  ?   ?  0.000000 9.322681 
1 1 1   10   19   28 f  434.324   8.2133 28983.01  1088.80 28575.43  1476.48 29468.86  1612.02  429.995   11.250  436.233   12.107 -6.238159 16.52687 
1 1 1   10   19   29 o   65.101   3.9664  650.258   78.438  705.995  199.130  640.021   85.337   66.943   10.056   64.549   4.3569 2.394234 10.95974 
1 1 1   10   19   30 o   62.018   12.895  618.985  236.136   0.0000   0.0000  618.985  236.136  ?   ?    62.018   12.895 0.000000 12.89514 
1 1 1   10   19   31 o  292.932   7.8826 13189.28  704.783   0.0000   0.0000 13189.28  704.783  ?   ?   292.932   7.8826 0.000000 7.882629 
1 1 1   10   19   32 o  207.638   4.3096  6594.51  273.127  6628.87  300.412  6430.69  655.908  208.131   4.7289  203.625   10.590 4.505341 11.59787 
1 1 1   10   19   33 o  310.106   11.702 14935.35  1107.59 14141.46  1935.56 15321.87  1350.57  294.963   21.650  312.843   14.144 -17.87961 25.86108 
1 1 1   10   19   34 o  226.005   4.0642  7812.88  280.359  7928.36  489.979  7756.67  341.849  227.149   7.0672  225.064   4.9764 2.085205 8.643500 
1 1 1   10   19   35 o  237.329   8.0608  8678.15  583.907  9354.11  1208.36  8472.23  666.944  242.306   16.436  234.118   9.3334 8.188507 18.90094 
1 1 1   10   19   36 o   67.217   4.6492  695.157   94.798  609.232  110.203  939.670  185.902   62.749   5.8203   77.685   7.9523 -14.93602 9.854701 
1 1 1   10   19   37 o  237.586   4.0740  8639.18  295.432  8520.31  379.541  8821.93  470.601  235.718   5.2753  239.575   6.4357 -3.856415 8.321474 
1 1 1   10   19   38 o  135.914   4.0173  2827.72  166.654  2752.09  184.675  3159.46  386.794  134.031   4.5143  142.546   8.9353 -8.515732 10.01087 
1 1 1   10   19   39 f  133.427   4.7914  2729.87  195.130  2620.93  225.227  3057.71  390.727  130.617   5.6494  140.039   9.1923 -9.422226 10.78953 
1 1 1   10   19   40 o   61.909   5.9357  594.898  110.786  584.826  126.337  628.421  230.490   61.201   6.8826   62.024   12.605 -0.8227959 14.36162 
1 1 1   10   19   41 o  125.485   4.0610  2413.03  155.541  2198.84  259.568  2533.03  194.287  119.060   7.1764  128.438   4.9560 -9.378548 8.721372 
1 1 1   10   19   42 o   90.388   3.9327  1252.12  108.499  1119.54  206.907  1302.40  127.424   84.523   8.1201   92.122   4.5318 -7.598602 9.299075 
1 1 1   10   19   43 o   85.432   3.2366  1117.30   84.396   0.0000   0.0000  1117.30   84.396  ?   ?    85.432   3.2366 0.000000 3.236596 
1 1 1   10   19   44 o   45.474   4.8773  321.546   66.639   0.0000   0.0000  321.546   66.639  ?   ?    45.474   4.8773 0.000000 4.877271 
1 1 1   10   20    1 o  161.846   5.6633  4007.60  279.763  4007.60  279.763   0.0000   0.0000  161.846   5.6633  ?   ?  0.000000 5.663305 
1 1 1   10   20    2 o  227.408   16.103  8090.31  1110.50  8090.31  1110.50   0.0000   0.0000  227.408   16.103  ?   ?  0.000000 16.10332 
1 1 1   10   20    3 o  140.923   7.1052  3050.40  304.631  2372.83  513.382  3418.62  378.460  123.012   13.918  149.031   8.3537 -26.01893 16.23279 
1 1 1   10   20    4 o  147.615   5.0089  3331.97  225.678  3061.59  260.693  4140.58  450.827  141.436   6.0388  163.945   9.0443 -22.50990 10.87510 
1 1 1   10   20    5 o  224.112   6.3476  7689.38  434.201  7692.09  476.496  7676.10  1054.20  224.079   6.9669  221.615   15.686 2.463760 17.16386 
1 1 1   10   20    6 o  167.340   9.0047  4313.00  458.230   0.0000   0.0000  4313.00  458.230  ?   ?   167.340   9.0047 0.000000 9.004676 
1 1 1   10   20    7 o  279.952   10.729 12069.18  916.768 11033.09  1584.61 12590.45  1123.97  264.154   19.798  285.361   12.905 -21.20679 23.63222 
1 1 1   10   20    8 o  342.774   8.5147 18033.57  890.825 16989.61  1060.11 20542.04  1643.28  332.225   10.454  363.750   14.801 -31.52563 18.12089 
1 1 1   10   20    9 o  102.098   4.2931  1593.13  133.786  1638.60  145.189  1337.33  344.385  103.534   4.5945   92.222   12.561 11.31167 13.37536 
1 1 1   10   20   10 o   97.610   8.7484  1474.36  257.872  1387.55  392.220  1540.46  342.241   93.608   14.171   99.307   11.504 -5.698265 18.25279 
1 1 1   10   20   11 o   35.647   6.6363  200.848   69.549  204.372   72.058  152.871  265.882   35.940   6.8183   39.462   15.355 -3.522442 16.80119 
1 1 1   10   20   12 o  132.235   4.4518  2672.78  179.681  2762.47  208.077  2409.82  356.302  134.403   5.0722  124.872   9.4176 9.530922 10.69669 
1 1 1   10   20   13 o  300.818   11.130 13947.03  1021.89 14815.60  1780.89 13520.67  1247.75  306.574   19.127  295.393   13.839 11.18112 23.60896 
1 1 1   10   20   14 o  184.770   9.7861  5264.75  549.932   0.0000   0.0000  5264.75  549.932  ?   ?   184.770   9.7861 0.000000 9.786146 
1 1 1   10   20   15 o  343.311   14.566 18297.22  1526.27   0.0000   0.0000 18297.22  1526.27  ?   ?   343.311   14.566 0.000000 14.56551 
1 1 1   10   20   16 f  131.840   8.6859  2680.43  347.567   0.0000   0.0000  2680.43  347.567  ?   ?   131.840   8.6859 0.000000 8.685911 
1 1 1   10   20   17 o  124.796   4.1271  2380.16  157.204  2465.92  189.691  2192.08  280.901  126.988   4.8940  119.302   7.7562 7.685844 9.171193 
1 1 1   10   20   18 o  193.780   5.1327  5743.44  303.578  5948.53  364.100  5275.69  549.861  197.125   6.0515  184.931   9.7762 12.19339 11.49761 
1 1 1   10   20   19 o  152.808   3.6203  3567.53  168.853  3726.59  188.100  2907.39  383.190  156.161   3.9464  137.225   9.2021 18.93600 10.01262 
1 1 1   10   20   20 o  233.320   4.4243  8322.14  315.076  8270.88  361.800  8483.04  641.004  232.535   5.0976  234.945   8.9388 -2.410156 10.29012 
1 1 1   10   20   21 o  170.329   3.5226  4432.49  183.135  4733.00  212.861  3576.27  359.295  175.982   3.9629  152.478   7.7456 23.50446 8.700500 
1 1 1   10   20   22 o  160.598   3.3038  3940.09  161.947  4172.70  220.382  3667.02  238.778  165.209   4.3704  154.829   5.0527 10.37944 6.680610 
1 1 1   10   20   23 o  250.120   6.0419  9580.40  461.256  9947.18  505.904  7773.28  1122.94  254.794   6.5052  222.205   16.679 32.58891 17.90265 
1 1 1   10   20   24 o   37.834   6.6573  225.814   74.071  186.796   83.479  370.251  160.613   34.196   8.1192   48.019   11.169 -13.82323 13.80840 
1 1 1   10   20   25 o   56.993   11.617  520.205  195.238  345.437  339.379  606.654  238.689   49.959   17.736   61.385   13.136 -11.42639 22.07135 
1 1 1   10   20   26 o  243.489   4.8298  9070.00  358.940  9756.51  515.893  8425.84  499.728  252.251   6.7005  234.370   6.9858 17.88011 9.679785 
1 1 1   10   20   27 o   45.684   15.476  305.888  256.986  334.402  336.592  266.037  397.923   49.369   17.649   49.011   18.865 0.3580627 25.83347 
1 1 1   10   20   28 o  195.920   5.9294  5881.48  354.574   0.0000   0.0000  5881.48  354.574  ?   ?   195.920   5.9294 0.000000 5.929413 
1 1 1   10   20   29 o  273.071   6.6053 11439.47  550.536 11796.85  660.811 10628.61  995.381  277.015   7.8155  261.474   12.472 15.54132 14.71864 
1 1 1   10   20   30 o  230.362   5.6157  8130.90  394.849  8145.26  500.185  8107.15  643.210  230.289   7.1161  229.262   9.1918 1.026337 11.62448 
1 1 1   10   20   31 f   87.903   3.2218  1180.85   86.440  1517.97  449.802  1167.92   88.082   97.025   15.727   87.417   3.3012 9.608185 16.06976 
1 1 1   10   20   32 o  328.211   6.4438 16536.72  645.524 16262.23  961.741 16761.77  870.831  324.266   9.7172  329.660   8.6547 -5.394379 13.01256 
1 1 1   10   20   33 o  216.906   4.5005  7202.17  297.950  7791.42  436.669  6688.84  407.565  225.262   6.3511  208.706   6.3980 16.55583 9.015024 
1 1 1   10   20   34 o  109.096   3.5239  1820.04  117.340  1791.96  176.263  1842.40  157.247  108.109   5.3417  109.677   4.6973 -1.568649 7.113288 
1 1 1   10   20   35 o  182.611   3.9236  5102.96  218.693  5154.40  333.483  5064.14  289.679  183.205   5.9638  181.726   5.2226 1.478912 7.927269 
1 1 1   10   20   36 o  116.610   3.0562  2078.90  108.775  2308.51  149.471  1820.40  158.598  122.803   3.9878  108.979   4.7680 13.82411 6.215787 
1 1 1   10   20   37 o  257.243   4.3696 10139.44  343.086 10344.84  439.432  9818.77  549.072  259.518   5.5476  252.305   7.1300 7.213013 9.033957 
1 1 1   10   20   38 o   18.648   6.3576   49.313   43.373  193.716  181.667   40.584   44.664   36.910   12.990   17.782   6.4207 19.12822 14.49037 
1 1 1   10   20   39 o   97.733   3.2049  1461.47   95.604  1550.05  154.117  1406.06  121.891  100.335   5.0486   95.777   4.1696 4.558418 6.547823 
1 1 1   10   20   40 o   89.297   9.2386  1257.59  248.161  1784.18  798.872  1201.35  261.077   97.457   26.263   87.014   10.013 10.44359 28.10698 
1 1 1   10   20   41 o  121.665   3.0255  2265.12  112.350  2376.08  244.937  2235.56  126.436  123.841   6.5027  120.822   3.4285 3.019112 7.351196 
1 1 1   10   20   42 o   33.661   4.3179  176.749   43.341   0.0000   0.0000  176.749   43.341  ?   ?    33.661   4.3179 0.000000 4.317935 
1 1 1   10   21    2 o  188.387   6.1896  5432.98  355.901   0.0000   0.0000  5432.98  355.901  ?   ?   188.387   6.1896 0.000000 6.189596 
1 1 1   10   21    3 o  193.713   6.3222  5745.34  373.803  5745.34  373.803   0.0000   0.0000  193.713   6.3222  ?   ?  0.000000 6.322160 
1 1 1   10   21    4 o  386.705   10.145 23012.83  1197.46 22367.42  1315.33 26137.45  2894.12  380.859   11.315  404.221   23.560 -23.36261 26.13587 
1 1 1   10   21    5 o  252.071   17.471  9981.89  1335.90  9981.89  1335.90   0.0000   0.0000  252.071   17.471  ?   ?  0.000000 17.47115 
1 1 1   10   21    6 o  174.791   9.8294  4713.96  522.269  4661.07  756.651  4762.09  721.784  172.708   14.488  174.814   13.635 -2.105972 19.89494 
1 1 1   10   21    7 o  157.935   5.3531  3815.60  258.046  3748.71  282.472  4152.94  634.360  156.504   5.9134  163.379   12.824 -6.875656 14.12175 
1 1 1   10   21    8 o  113.485   4.7727  1969.14  165.316  1893.92  179.349  2394.19  426.329  111.273   5.2807  124.087   11.383 -12.81397 12.54860 
1 1 1   10   21    9 o  123.152   8.7525  2340.75  326.851  2444.55  479.965  2250.99  446.340  125.102   12.748  120.082   12.354 5.019447 17.75198 
1 1 1   10   21   10 o  222.025   8.9353  7573.11  605.521  6830.24  1032.20  7962.91  747.693  208.649   16.339  227.326   10.776 -18.67731 19.57216 
1 1 1   10   21   11 o  304.178   7.6556 14189.96  710.758 13670.71  843.727 15459.04  1319.04  298.220   9.2693  315.790   13.685 -17.57095 16.52864 
1 1 1   10   21   12 o  239.057   11.175  8814.02  815.396   0.0000   0.0000  8814.02  815.396  ?   ?   239.057   11.175 0.000000 11.17504 
1 1 1   10   21   13 o   51.169   10.846  418.643  164.130   0.0000   0.0000  418.643  164.130  ?   ?    51.169   10.846 0.000000 10.84584 
1 1 1   10   21   14 o  308.767   13.343 14774.77  1257.46   0.0000   0.0000 14774.77  1257.46  ?   ?   308.767   13.343 0.000000 13.34272 
1 1 1   10   21   15 o   75.240   7.7411  877.530  175.236  1481.49  370.904  703.976  198.826   97.018   12.841   66.899   10.048 30.11876 16.30484 
1 1 1   10   21   16 o  316.442   7.6120 15361.27  735.210 15358.69  875.612 15367.41  1353.67  316.071   9.0763  314.534   14.100 1.536682 16.76892 
1 1 1   10   21   17 o  252.726   6.3061  9782.80  486.442 10120.41  535.578  8192.00  1162.59  256.970   6.8285  228.189   16.811 28.78128 18.14459 
1 1 1   10   21   18 o  189.913   9.8263  5568.26  567.640  5839.32  832.023  5332.24  776.390  193.306   14.201  184.779   13.867 8.526825 19.84871 
1 1 1   10   21   19 o  360.595   5.3255 19897.59  586.137 20752.47  747.453 18532.37  944.569  367.980   6.6549  347.160   8.9143 20.82016 11.12440 
1 1 1   10   21   20 o  328.359   6.9129 16531.52  692.827 17141.83  810.531 14875.96  1334.96  334.114   7.9480  309.195   14.146 24.91953 16.22551 
1 1 1   10   21   21 o  115.521   3.4866  2039.11  122.938  2149.78  137.555  1599.80  274.053  118.601   3.7999  101.596   8.9283 17.00461 9.703288 
1 1 1   10   21   22 o  179.083   5.7450  4911.17  314.026  4833.44  348.913  5242.55  720.465  177.583   6.4372  183.316   12.960 -5.732712 14.47062 
1 1 1   10   21   23 o   56.568   4.6148  492.702   78.985  529.638   85.361  272.799  208.283   58.642   4.8114   42.583   13.920 16.05939 14.72831 
1 1 1   10   21   24 o  109.867   2.9459  1843.93   98.787  2135.52  137.067  1528.76  142.504  118.198   3.7993   99.965   4.6705 18.23269 6.020669 
1 1 1   10   21   25 o  132.425   3.6449  2680.40  147.324  2742.52  172.281  2511.36  284.186  133.916   4.2149  127.678   7.3230 6.238853 8.449379 
1 1 1   10   21   26 o  133.696   4.4085  2734.30  179.898  4320.76  1070.26  2688.18  182.494  162.268   22.191  132.556   4.5106 29.71201 22.64445 
1 1 1   10   21   27 o  204.015   8.5201  6410.53  530.545   0.0000   0.0000  6410.53  530.545  ?   ?   204.015   8.5201 0.000000 8.520071 
1 1 1   10   21   28 o  112.816   3.2810  1945.15  112.979  2064.22  176.766  1862.91  146.900  116.109   4.9879  110.345   4.3617 5.763893 6.625952 
1 1 1   10   21   29 o   94.071   4.3356  1354.10  124.488  1335.53  149.807  1395.54  223.783   93.216   5.2871   94.909   7.7939 -1.693542 9.417953 
1 1 1   10   21   30 o  154.385   3.7840  3645.21  178.310  3972.14  266.317  3379.58  240.059  160.979   5.4202  148.501   5.2963 12.47743 7.578186 
1 1 1   10   21   31 o   85.515   4.2051  1119.16  109.758  1085.58  119.255  1305.17  280.673   84.067   4.6660   91.170   10.265 -7.103592 11.27556 
1 1 1   10   21   32 o   36.564   6.6509  211.845   71.491  215.510   81.407  199.491  149.462   36.747   7.5117   36.264   11.789 0.4830170 13.97867 
1 1 1   10   21   33 o  230.122   3.8619  8103.88  271.255  8313.24  359.093  7825.67  413.956  232.849   5.0526  225.699   6.0091 7.149811 7.850983 
1 1 1   10   21   34 o   77.508   4.5726  923.801  107.696  951.575  121.910  825.101  229.818   78.596   5.1096   71.958   10.797 6.637527 11.94491 
1 1 1   10   21   35 o  172.742   4.8648  4577.31  256.496  4608.78  297.881  4487.06  504.431  173.183   5.6353  169.447   9.7951 3.736771 11.30047 
1 1 1   10   21   36 o  118.839   2.9197  2159.65  105.905  2303.31  149.327  2014.26  150.222  122.621   3.9899  114.635   4.2934 7.985794 5.861058 
1 1 1   10   21   37 o   50.804   3.8185  397.579   58.778  402.364   88.977  393.874   78.293   50.798   5.8452   50.371   5.1655 0.4268913 7.800597 
1 1 1   10   21   38 o  133.661   5.2035  2747.01  212.283  2850.75  271.291  2583.17  340.927  135.867   6.5419  128.461   8.7471 7.405365 10.92285 
1 1 1   10   21   39 o  148.307   9.1125  3452.17  410.496   0.0000   0.0000  3452.17  410.496  ?   ?   148.307   9.1125 0.000000 9.112530 
1 1 1   10   21   40 o  142.371   4.8604  3116.88  211.211   0.0000   0.0000  3116.88  211.211  ?   ?   142.371   4.8604 0.000000 4.860450 
1 1 1   10   22    0 o  161.867   13.929  4116.39  676.440  4116.39  676.440  4116.39  676.440  161.867   13.929  161.867   13.929 0.000000 0.000000 
1 1 1   10   22    1 o  156.434   9.5171  3777.67  452.256  3671.77  641.759  3882.15  637.437  153.236   13.872  157.731   13.366 -4.494904 19.26330 
1 1 1   10   22    2 o  186.258   6.1619  5311.93  350.307   0.0000   0.0000  5311.93  350.307  ?   ?   186.258   6.1619 0.000000 6.161934 
1 1 1   10   22    3 o  325.680   9.3640 16311.18  930.828   0.0000   0.0000 16311.18  930.828  ?   ?   325.680   9.3640 0.000000 9.364003 
1 1 1   10   22    4 o  249.452   17.161  9783.94  1298.68   0.0000   0.0000  9783.94  1298.68  ?   ?   249.452   17.161 0.000000 17.16121 
1 1 1   10   22    5 o  254.121   12.312  9986.94  954.993  8710.63  1357.31 11238.16  1343.91  234.451   19.134  267.687   16.529 -33.23596 25.28528 
1 1 1   10   22    6 o  450.183   29.256 33379.80  3998.21 33379.80  3998.21   0.0000   0.0000  450.183   29.256  ?   ?  0.000000 29.25649 
1 1 1   10   22    7 o  245.182   7.4778  9219.87  559.599  9219.87  559.599   0.0000   0.0000  245.182   7.4778  ?   ?  0.000000 7.477759 
1 1 1   10   22    8 o  225.003   7.0295  7760.50  482.758  7760.50  482.758   0.0000   0.0000  225.003   7.0295  ?   ?  0.000000 7.029485 
1 1 1   10   22    9 o  118.182   10.193  2167.09  364.078  1705.94  483.343  2771.89  553.533  103.458   15.808  132.939   13.845 -29.48033 21.01390 
1 1 1   10   22   10 o  449.681   19.862 31975.48  2726.16   0.0000   0.0000 31975.48  2726.16  ?   ?   449.681   19.862 0.000000 19.86234 
1 1 1   10   22   11 o  251.641   9.1960  9739.63  706.314   0.0000   0.0000  9739.63  706.314  ?   ?   251.641   9.1960 0.000000 9.196001 
1 1 1   10   22   12 o  224.811   10.582  7794.12  726.109   0.0000   0.0000  7794.12  726.109  ?   ?   224.811   10.582 0.000000 10.58201 
1 1 1   10   22   13 o  199.188   5.6136  6073.23  341.286  5570.72  400.848  7397.34  650.688  190.625   6.8894  219.176   9.7267 -28.55019 11.91939 
1 1 1   10   22   14 o   86.244   4.2558  1137.14  112.028  1198.63  122.696  828.918  274.691   88.417   4.5620   72.064   12.965 16.35316 13.74444 
1 1 1   10   22   15 o  156.920   7.6186  3779.48  364.895  4148.49  633.847  3596.56  446.260  163.068   12.839  152.520   9.6357 10.54836 16.05247 
1 1 1   10   22   16 f  313.817   7.5108 15115.08  719.415 15077.26  856.513 15205.68  1325.65  313.048   8.9641  312.618   13.893 0.4304504 16.53399 
1 1 1   10   22   17 f   27.512   10.270   88.429  115.848   9.3188  295.199  102.831  125.952   35.998   15.323   29.086   10.738 6.911766 18.71120 
1 1 1   10   22   18 o   98.713   3.9829  1489.59  120.002  1599.86  137.759  1142.67  244.349  102.282   4.4127   85.608   9.5122 16.67368 10.48593 
1 1 1   10   22   19 o  194.077   5.3680  5766.34  317.984  5792.52  368.791  5690.46  627.792  194.414   6.2149  191.596   10.779 2.817596 12.44239 
1 1 1   10   22   20 o  179.831   9.1378  4994.12  499.913  4578.69  647.076  5609.21  787.354  171.293   12.462  189.256   13.723 -17.96361 18.53739 
1 1 1   10   22   21 f   76.970   4.1425  908.532   96.961  968.698  112.259  731.801  192.399   79.436   4.6503   68.258   9.4918 11.17817 10.56978 
1 1 1   10   22   22 o  323.621   5.5756 16042.90  550.737 17000.78  826.581 15278.18  738.552  332.439   8.1462  315.288   7.6746 17.15131 11.19198 
1 1 1   10   22   23 o   37.068   6.0240  216.001   65.815  230.960   74.982  165.799  137.364   38.251   6.6647   33.714   11.315 4.536938 13.13196 
1 1 1   10   22   24 o  132.499   6.9529  2703.41  280.204   0.0000   0.0000  2703.41  280.204  ?   ?   132.499   6.9529 0.000000 6.952865 
1 1 1   10   22   25 o   69.355   7.7329  749.011  160.910   0.0000   0.0000  749.011  160.910  ?   ?    69.355   7.7329 0.000000 7.732946 
1 1 1   10   22   26 o  280.912   13.085 12338.40  1121.90   0.0000   0.0000 12338.40  1121.90  ?   ?   280.912   13.085 0.000000 13.08473 
1 1 1   10   22   27 o  179.419   4.4772  4927.64  245.187  5302.98  307.354  4270.74  406.605  185.998   5.4140  166.483   8.0018 19.51512 9.661241 
1 1 1   10   22   28 f   87.594   3.1426  1172.78   84.018  1295.13  134.172  1093.86  107.762   91.828   4.8038   84.544   4.1760 7.284027 6.365172 
1 1 1   10   22   29 o  120.416   7.0794  2239.24  259.048  2418.11  987.523  2226.02  268.449  116.267   28.132  120.001   7.3649 -3.733643 29.08027 
1 1 1   10   22   30 o   76.484   3.2155  894.432   75.064  1055.44  120.744  793.007   95.834   82.851   4.7952   71.826   4.3925 11.02542 6.502973 
1 1 1   10   22   31 o  269.579   6.3980 11179.49  526.434 11771.15  636.371  9896.84  936.976  276.191   7.5489  251.011   12.230 25.17940 14.37196 
1 1 1   10   22   32 o  190.824   3.7778  5573.92  220.033  5869.40  244.301  4304.44  506.384  195.766   4.0886  165.898   10.048 29.86789 10.84787 
1 1 1   10   22   33 o  124.565   3.8615  2376.07  146.813  2403.11  155.752  2160.58  439.691  125.247   4.0742  116.287   12.589 8.960442 13.23181 
1 1 1   10   22   34 o   67.961   4.3841  711.123   90.456  717.347   96.607  666.860  257.625   68.219   4.6677   63.533   13.689 4.685722 14.46301 
1 1 1   10   22   35 o  141.137   3.5230  3050.07  151.763  3005.43  225.901  3086.78  204.885  139.809   5.2938  141.795   4.7340 -1.985428 7.101776 
1 1 1   10   22   36 f  131.811   3.5107  2660.92  141.243  2679.87  211.783  2645.74  189.556  131.990   5.2570  131.245   4.7319 0.7447052 7.072943 
1 1 1   10   22   37 o   38.109   11.930  231.044  154.219   0.0000   0.0000  231.044  154.219  ?   ?    38.109   11.930 0.000000 11.92982 
1 1 1   10   22   38 f   82.026   8.8527  1064.51  218.126   0.0000   0.0000  1064.51  218.126  ?   ?    82.026   8.8527 0.000000 8.852723 
1 1 1   10   23    0 o  304.510   20.135 14581.13  1852.64 14581.13  1852.64 14581.13  1852.64  304.510   20.135  304.510   20.135 0.000000 0.000000 
1 1 1   10   23    1 o  192.151   6.1534  5655.50  360.888  7951.66  908.622  5225.43  393.236  225.977   13.231  184.603   6.9790 41.37320 14.95905 
1 1 1   10   23    2 o  224.258   6.4568  7706.31  441.961  8244.95  1094.28  7601.32  483.117  229.179   15.739  222.629   7.1097 6.549667 17.27030 
1 1 1   10   23    3 o  211.778   6.0804  6869.37  393.035  6914.64  430.331  6641.65  965.172  212.401   6.6379  205.672   15.489 6.729401 16.85108 
1 1 1   10   23    4 f  225.217   16.054  7973.84  1096.36   0.0000   0.0000  7973.84  1096.36  ?   ?   225.217   16.054 0.000000 16.05412 
1 1 1   10   23    5 o  270.933   18.336 11622.01  1507.37   0.0000   0.0000 11622.01  1507.37  ?   ?   270.933   18.336 0.000000 18.33603 
1 1 1   10   23    6 o  143.162   12.944  3204.54  559.507   0.0000   0.0000  3204.54  559.507  ?   ?   143.162   12.944 0.000000 12.94447 
1 1 1   10   23    7 o  200.397   10.261  6209.22  625.509   0.0000   0.0000  6209.22  625.509  ?   ?   200.397   10.261 0.000000 10.26088 
1 1 1   10   23    8 o  198.014   14.836  6149.28  890.173   0.0000   0.0000  6149.28  890.173  ?   ?   198.014   14.836 0.000000 14.83642 
1 1 1   10   23    9 o   60.752   11.045  587.424  197.261   0.0000   0.0000  587.424  197.261  ?   ?    60.752   11.045 0.000000 11.04495 
1 1 1   10   23   10 f  222.353   6.9939  7583.68  474.656  7583.68  474.656   0.0000   0.0000  222.353   6.9939  ?   ?  0.000000 6.993884 
1 1 1   10   23   11 o  105.962   4.9911  1718.02  161.423  1580.70  168.661  3215.81  557.034  101.467   5.4661  143.367   12.867 -41.90054 13.97952 
1 1 1   10   23   12 o   95.362   10.826  1422.63  309.534  1343.16  384.888  1568.14  520.808   91.824   14.190   98.267   18.028 -6.443237 22.94330 
1 1 1   10   23   13 o  241.867   6.7485  8972.25  498.201  9046.77  542.697  8572.91  1256.31  242.763   7.3242  232.383   17.849 10.37965 19.29296 
1 1 1   10   23   14 o   96.138   4.9196  1418.01  143.874  1418.01  143.874   0.0000   0.0000   96.138   4.9196  ?   ?  0.000000 4.919573 
1 1 1   10   23   15 o   55.957   17.048  497.589  317.420  497.589  317.420   0.0000   0.0000   55.957   17.048  ?   ?  0.000000 17.04762 
1 1 1   10   23   16 o   64.222   10.593  653.849  200.404   0.0000   0.0000  653.849  200.404  ?   ?    64.222   10.593 0.000000 10.59304 
1 1 1   10   23   17 o  110.169   7.7929  1874.92  260.353   0.0000   0.0000  1874.92  260.353  ?   ?   110.169   7.7929 0.000000 7.792880 
1 1 1   10   23   18 o  109.995   3.7310  1849.62  125.262  2119.00  142.016  905.763  265.831  117.720   3.9525   75.505   11.931 42.21566 12.56895 
1 1 1   10   23   19 o  211.055   5.5109  6824.38  355.006  6850.85  417.601  6755.40  674.139  211.309   6.4748  208.634   10.621 2.674332 12.43941 
1 1 1   10   23   20 f  185.962   7.0013  5311.84  397.393  5566.50  806.384  5230.16  456.701  188.016   14.156  184.322   8.1178 3.693848 16.31808 
1 1 1   10   23   21 o  239.880   5.4522  8817.50  399.191  9261.29  507.049  8094.00  647.416  245.573   6.7648  228.950   9.2646 16.62277 11.47146 
1 1 1   10   23   22 o   90.710   8.4528  1279.21  231.336   0.0000   0.0000  1279.21  231.336  ?   ?    90.710   8.4528 0.000000 8.452806 
1 1 1   10   23   23 o   33.339   10.972  165.634  129.312   0.0000   0.0000  165.634  129.312  ?   ?    33.339   10.972 0.000000 10.97169 
1 1 1   10   23   24 o  158.337   8.1880  3876.28  394.358  4655.82  1094.18  3759.90  422.772  167.362   21.949  155.744   8.9309 11.61813 23.69629 
1 1 1   10   23   25 o   42.943   5.2722  286.911   67.651  283.978   79.548  294.577  128.599   42.543   6.3180   42.743   10.030 -0.1994705 11.85391 
1 1 1   10   23   26 o  165.995   3.7725  4215.58  191.136  4394.08  213.614  3498.85  428.055  169.431   4.1307  149.981   9.3982 19.45061 10.26591 
1 1 1   10   23   27 o  111.328   3.7723  1896.45  128.184  1905.98  144.432  1861.11  278.175  111.568   4.2414  109.409   8.3940 2.159279 9.404743 
1 1 1   10   23   28 o  143.978   3.5395  3171.43  155.544  3375.30  174.906  2400.52  340.118  148.499   3.8589  124.104   9.0412 24.39529 9.830282 
1 1 1   10   23   29 o  138.658   8.0936  2984.66  341.047  3725.44  1031.77  2893.79  361.359  146.362   23.923  136.336   8.7297 10.02599 25.46563 
1 1 1   10   23   30 o  103.830   10.906  1706.88  340.462  2088.44  934.987  1648.55  365.559  105.635   28.390  101.634   12.017 4.001762 30.82812 
1 1 1   10   23   31 o  144.457   5.4101  3207.59  238.539  3207.59  238.539   0.0000   0.0000  144.457   5.4101  ?   ?  0.000000 5.410101 
1 1 1   10   23   32 o  113.230   3.7384  1963.85  129.200  1974.33  141.586  1911.71  315.869  113.490   4.0874  110.243   9.4794 3.247169 10.32310 
1 1 1   10   23   33 o   69.225   5.7413  743.079  120.213  1005.61  188.547  563.263  156.043   80.125   7.8088   59.488   8.8648 20.63772 11.81366 
1 1 1   10   23   34 o   90.457   3.4241  1253.18   94.538  1347.76  110.019  986.235  184.826   93.766   3.8442   79.318   7.7327 14.44711 8.635530 
1 1 1   10   23   35 o   78.649   4.3410  952.583  103.805   0.0000   0.0000  952.583  103.805  ?   ?    78.649   4.3410 0.000000 4.341014 
1 1 1   10   23   36 f  100.803   9.0896  1606.31  276.655   0.0000   0.0000  1606.31  276.655  ?   ?   100.803   9.0896 0.000000 9.089555 
1 1 1   10   24    0 o   78.864   5.0227  961.842  119.778  961.842  119.778  961.842  119.778   78.864   5.0227   78.864   5.0227 0.000000 0.000000 
1 1 1   10   24    1 o   97.967   4.5799  1468.16  136.948  1389.21  412.106  1477.96  145.200   93.152   15.004   98.280   4.8404 -5.127686 15.76535 
1 1 1   10   24    2 o  162.558   14.071  4151.31  691.274  4151.31  691.274   0.0000   0.0000  162.558   14.071  ?   ?  0.000000 14.07113 
1 1 1   10   24    3 o   44.486   7.1514  311.294   93.813  252.557   98.450  891.217  309.346   39.787   8.3720   74.421   14.135 -34.63371 16.42864 
1 1 1   10   24    4 o  241.967   7.0672  8985.90  521.943  8703.50  572.591 10373.66  1269.32  237.971   7.8832  256.398   16.304 -18.42787 18.11004 
1 1 1   10   24    5 o  214.007   15.578  7218.25  1010.57   0.0000   0.0000  7218.25  1010.57  ?   ?   214.007   15.578 0.000000 15.57802 
1 1 1   10   24    6 o  194.626   14.711  5956.25  867.448   0.0000   0.0000  5956.25  867.448  ?   ?   194.626   14.711 0.000000 14.71112 
1 1 1   10   24    7 o  260.433   17.722 10774.01  1400.37   0.0000   0.0000 10774.01  1400.37  ?   ?   260.433   17.722 0.000000 17.72233 
1 1 1   10   24    9 o   91.952   10.099  1321.18  278.755   0.0000   0.0000  1321.18  278.755  ?   ?    91.952   10.099 0.000000 10.09850 
1 1 1   10   24   10 f  143.360   4.7019  3144.92  205.741  2954.50  235.057  3768.68  425.426  138.879   5.5452  156.134   8.9647 -17.25444 10.54111 
1 1 1   10   24   11 o  224.625   5.8506  7732.87  401.121  7150.81  470.259  9287.40  768.513  215.783   7.1401  245.095   10.273 -29.31181 12.51064 
1 1 1   10   24   12 o  210.198   8.0461  6797.95  516.212  5853.40  871.841  7307.84  640.566  192.617   14.947  217.553   9.6468 -24.93626 17.78929 
1 1 1   10   24   13 o  126.380   4.4771  2443.79  172.701  2313.68  197.673  2863.39  354.969  122.908   5.2693  136.068   8.5912 -13.15909 10.07839 
1 1 1   10   24   14 o  207.688   6.1094  6615.26  387.283  6671.77  419.258  6286.59  1011.10  208.490   6.5884  198.647   16.834 9.843552 18.07775 
1 1 1   10   24   15 o  220.977   10.834  7570.67  730.732  7938.40  1052.46  7228.40  1015.36  223.977   15.490  213.585   15.685 10.39160 22.04464 
1 1 1   10   24   16 o  169.482   5.4637  4401.86  282.637  4579.56  299.688  2972.08  850.058  172.840   5.6808  133.939   21.522 38.90105 22.25936 
1 1 1   10   24   17 o   77.463   13.395  964.076  305.251  808.795  357.301  1383.63  587.312   70.034   16.907   90.565   21.558 -20.53065 27.39677 
1 1 1   10   24   18 o   87.471   4.7847  1175.11  127.259  1175.79  131.820  1165.77  487.980   87.476   4.9575   83.524   19.496 3.952736 20.11682 
1 1 1   10   24   19 f  198.205   5.6919  6025.35  344.339  5807.46  400.116  6647.53  676.121  194.393   6.7435  206.605   10.759 -12.21159 12.69766 
1 1 1   10   24   20 o  131.945   9.2425  2705.93  369.869   0.0000   0.0000  2705.93  369.869  ?   ?   131.945   9.2425 0.000000 9.242473 
1 1 1   10   24   21 o   74.484   6.8247  860.251  153.429  1132.77  247.162  689.399  195.700   84.961   9.7053   65.945   10.040 19.01630 13.96392 
1 1 1   10   24   22 o   49.677   9.3039  394.271  135.887  369.186  225.653  408.544  170.210   47.962   14.321   50.212   11.370 -2.250549 18.28566 
1 1 1   10   24   23 o   17.954   7.1098   26.812   57.867   29.425   63.650   14.363  138.940   18.815   7.4549   25.193   10.607 -6.377495 12.96505 
1 1 1   10   24   24 o  150.027   4.7888  3450.40  219.287  3325.29  256.746  3787.77  421.616  147.143   5.7167  156.102   8.8857 -8.959137 10.56581 
1 1 1   10   24   25 o   97.761   3.2484  1461.73   96.929  1485.91  147.365  1443.29  128.682   98.429   4.9052   97.059   4.3438 1.370079 6.552030 
1 1 1   10   24   26 o  116.319   4.1326  2072.64  146.720  2163.08  171.813  1829.06  281.961  118.760   4.7399  108.271   8.6031 10.48911 9.822462 
1 1 1   10   24   27 o   54.238   3.1877  451.575   52.540  632.109   83.056  331.140   67.837   64.080   4.2710   46.198   4.8850 17.88172 6.488822 
1 1 1   10   24   28 o   45.609   5.1489  323.561   70.422  295.886   81.391  405.985  140.463   43.372   6.3351   50.230   9.5101 -6.858036 11.42693 
1 1 1   10   24   29 o   44.419   9.6749  320.039  127.455  435.164  174.943  189.807  186.067   51.556   11.418   36.757   13.124 14.79882 17.39585 
1 1 1   10   24   30 o  121.222   3.7835  2251.79  139.990  2281.59  154.087  2110.90  335.025  121.973   4.1389  115.738   9.5697 6.235054 10.42637 
1 1 1   10   24   31 o   22.985   10.118 -31.4827  137.694 -27.7171  283.502 -32.6451  157.521   33.442   14.624   24.652   10.838 8.789391 18.20226 
1 1 1   10   24   32 o   73.999   4.6428  844.716  104.332  849.644  116.846  825.335  231.720   74.115   5.1981   71.435   10.979 2.679726 12.14733 
1 1 1   10   24   33 o   37.902   12.805  220.372  175.937   0.0000   0.0000  220.372  175.937  ?   ?    37.902   12.805 0.000000 12.80514 
1 1 1   10   25    0 o   34.199   17.374  266.428  226.982  266.428  226.982  266.428  226.982   34.199   17.374   34.199   17.374 0.000000 0.000000 
1 1 1   10   25    1 f  148.238   5.1065  3365.27  231.046  3341.67  250.421  3500.27  599.056  147.670   5.5560  149.142   13.299 -1.471863 14.41324 
1 1 1   10   25    2 o  124.429   13.205  2443.09  493.826   0.0000   0.0000  2443.09  493.826  ?   ?   124.429   13.205 0.000000 13.20453 
1 1 1   10   25    3 o  102.208   13.435  1658.74  408.973   0.0000   0.0000  1658.74  408.973  ?   ?   102.208   13.435 0.000000 13.43518 
1 1 1   10   25    4 o  177.761   5.9857  4845.79  324.767   0.0000   0.0000  4845.79  324.767  ?   ?   177.761   5.9857 0.000000 5.985742 
1 1 1   10   25    5 o   44.810   3.8226  309.272   51.782  452.417   88.802  235.522   63.741   54.066   5.4559   38.818   5.5368 15.24830 7.773187 
1 1 1   10   25    6 o  126.229   8.9785  2470.70  343.669  2417.06  524.747  2510.98  454.771  123.404   14.190  126.509   11.918 -3.105881 18.53088 
1 1 1   10   25    7 o  188.531   9.9518  5514.08  570.636  5448.80  814.306  5577.08  799.891  185.740   14.478  188.116   14.032 -2.375366 20.16217 
1 1 1   10   25    8 o   45.114   13.377  323.512  197.398   0.0000   0.0000  323.512  197.398  ?   ?    45.114   13.377 0.000000 13.37680 
1 1 1   10   25    9 o   42.640   13.137  284.819  187.851   0.0000   0.0000  284.819  187.851  ?   ?    42.640   13.137 0.000000 13.13689 
1 1 1   10   25   10 o   58.899   12.617  561.450  219.980   0.0000   0.0000  561.450  219.980  ?   ?    58.899   12.617 0.000000 12.61652 
1 1 1   10   25   11 o  148.443   12.435  3462.87  558.236   0.0000   0.0000  3462.87  558.236  ?   ?   148.443   12.435 0.000000 12.43540 
1 1 1   10   25   12 o  170.564   7.6886  4479.93  400.268  4727.11  670.083  4342.81  499.095  173.421   12.749  167.186   9.8238 6.235779 16.09459 
1 1 1   10   25   13 o   86.613   8.4501  1168.26  220.544  1223.92  349.922  1131.58  284.067   87.365   13.562   84.569   11.287 2.796356 17.64436 
1 1 1   10   25   14 o   99.254   3.9868  1507.29  120.778  1602.78  132.637  1043.79  292.217  102.332   4.2465   80.898   12.215 21.43489 12.93215 
1 1 1   10   25   15 o   77.019   8.3882  926.282  194.003  863.919  337.644  957.018  237.037   72.477   15.716   77.887   10.217 -5.410629 18.74518 
1 1 1   10   25   16 f   45.236   5.4048  318.257   73.147  319.315   81.020  313.591  170.108   45.211   6.0210   44.094   12.218 1.116726 13.62078 
1 1 1   10   25   17 f   82.137   4.8850  1037.58  121.915  1007.83  125.941  1480.76  486.047   80.915   5.1259   94.685   17.461 -13.77009 18.19829 
1 1 1   10   25   18 o   86.859   10.688  1192.14  277.387   0.0000   0.0000  1192.14  277.387  ?   ?    86.859   10.688 0.000000 10.68844 
1 1 1   10   25   19 o  120.409   14.564  2331.95  524.365   0.0000   0.0000  2331.95  524.365  ?   ?   120.409   14.564 0.000000 14.56383 
1 1 1   10   25   20 o  112.348   8.4019  1964.13  286.025   0.0000   0.0000  1964.13  286.025  ?   ?   112.348   8.4019 0.000000 8.401916 
1 1 1   10   25   21 o   62.052   5.2560  595.234   98.613  553.784  104.859  912.405  290.059   59.746   5.8242   74.971   13.156 -15.22497 14.38713 
1 1 1   10   25   22 o  113.727   4.1440  1981.46  143.847  2057.66  167.314  1765.51  281.654  115.826   4.7327  106.306   8.7584 9.519981 9.955260 
1 1 1   10   25   23 o   27.731   6.8244  123.323   57.370  139.787   65.385   68.249  119.589   29.503   7.3006   26.351   10.286 3.151911 12.61346 
1 1 1   10   25   24 o   35.941   5.9885  204.104   63.381  190.128   72.227  250.906  132.175   34.464   7.1024   39.338   10.717 -4.873734 12.85698 
1 1 1   10   25   25 o   66.969   6.1203  696.819  123.720  746.779  182.004  653.903  168.687   68.702   8.8878   64.233   8.8382 4.469002 12.53420 
1 1 1   10   25   26 o   65.979   3.9844  669.726   79.864  697.026   90.815  576.567  167.760   67.250   4.4494   60.041   9.4681 7.209846 10.46143 
1 1 1   10   25   27 o  114.192   12.312  2099.94  422.322  2099.94  422.322   0.0000   0.0000  114.192   12.312  ?   ?  0.000000 12.31155 
1 1 1   10   25   28 o  233.536   7.3158  8462.88  521.472  8462.88  521.472   0.0000   0.0000  233.536   7.3158  ?   ?  0.000000 7.315778 
1 1 1   10   25   29 o   25.335   10.666   19.374  140.470   85.251  284.524  -1.8580  161.528   36.828   15.319   26.105   11.229 10.72230 18.99367 
1 1 1   10   25   30 o  104.742   4.3636  1685.37  139.504  1709.75  158.687  1602.45  292.704  105.401   4.9326  100.434   9.6678 4.966499 10.85345 
1 1 1   10   26    2 o   71.639   5.0460  790.360  109.629  790.360  109.629   0.0000   0.0000   71.639   5.0460  ?   ?  0.000000 5.045962 
1 1 1   10   26    3 o  100.867   4.3395  1557.54  133.601  1610.26  145.528  1274.90  336.966  102.536   4.6500   89.393   12.708 13.14294 13.53169 
1 1 1   10   26    4 o  115.438   8.6360  2070.04  302.077  2282.05  454.216  1901.91  404.497  120.105   12.577  109.625   12.301 10.48032 17.59249 
1 1 1   10   26    5 o  151.019   4.9705  3495.06  229.111  3527.12  250.879  3334.00  562.315  151.650   5.4201  145.291   12.811 6.359085 13.91062 
1 1 1   10   26    6 o   72.204   4.6377  801.814  101.668  799.709  110.114  813.977  264.695   72.059   5.0382   71.082   12.665 0.9772491 13.62995 
1 1 1   10   26    7 o  323.270   8.4888 16147.20  837.581 16019.32  2026.45 16173.55  919.829  311.259   21.461  323.122   9.3266 -11.86307 23.40039 
1 1 1   10   26    8 o  143.608   12.949  3263.78  561.483  3263.78  561.483   0.0000   0.0000  143.608   12.949  ?   ?  0.000000 12.94907 
1 1 1   10   26    9 o  196.805   6.3854  5954.15  383.566  5954.15  383.566   0.0000   0.0000  196.805   6.3854  ?   ?  0.000000 6.385366 
1 1 1   10   26   10 o  143.525   12.321  3252.52  534.516   0.0000   0.0000  3252.52  534.516  ?   ?   143.525   12.321 0.000000 12.32108 
1 1 1   10   26   11 o  149.077   12.521  3513.34  564.466   0.0000   0.0000  3513.34  564.466  ?   ?   149.077   12.521 0.000000 12.52141 
1 1 1   10   26   12 o  182.968   13.931  5326.46  772.156   0.0000   0.0000  5326.46  772.156  ?   ?   182.968   13.931 0.000000 13.93119 
1 1 1   10   26   13 o  115.769   11.429  2116.83  398.587   0.0000   0.0000  2116.83  398.587  ?   ?   115.769   11.429 0.000000 11.42931 
1 1 1   10   26   14 o  124.690   4.4350  2382.26  168.788  2279.58  191.714  2736.22  355.938  121.888   5.1532  132.564   8.8478 -10.67646 10.23907 
1 1 1   10   26   15 o  200.520   4.9427  6167.97  302.510  6661.92  356.308  4892.62  572.535  208.241   5.6058  176.637   10.670 31.60406 12.05258 
1 1 1   10   26   16 o  142.802   8.5446  3172.76  370.719   0.0000   0.0000  3172.76  370.719  ?   ?   142.802   8.5446 0.000000 8.544588 
1 1 1   10   26   17 o  117.851   8.5273  2165.50  304.664   0.0000   0.0000  2165.50  304.664  ?   ?   117.851   8.5273 0.000000 8.527342 
1 1 1   10   26   18 o  260.779   10.001 10626.74  796.019 11597.30  1399.41 10162.49  967.852  265.823   17.343  253.348   12.516 12.47513 21.38768 
1 1 1   10   26   19 o  137.214   4.7553  2889.56  199.154  2748.16  235.471  3244.86  373.262  133.636   5.7729  144.275   8.5140 -10.63907 10.28661 
1 1 1   10   26   20 o  133.674   3.8319  2737.48  156.345  3105.01  185.440  1834.05  290.739  142.300   4.2696  108.172   8.8844 34.12814 9.857049 
1 1 1   10   26   21 f   68.537   7.4920  736.125  154.174  952.203  331.366  676.427  174.175   75.599   14.891   65.289   8.9779 10.30942 17.38764 
1 1 1   10   26   22 o  129.051   3.5852  2551.03  141.217  2681.72  160.013  2090.73  300.307  132.262   3.9637  115.531   8.5775 16.73048 9.449062 
1 1 1   10   26   23 o   93.532   6.8302  1360.75  193.641  1312.17  364.445  1379.86  228.576   89.330   13.812   93.848   8.0579 -4.517830 15.99072 
1 1 1   10   26   24 o   78.356   4.1877  944.815   99.791  969.603  115.725  872.929  197.074   79.277   4.8052   74.225   8.8748 5.052124 10.09222 
1 1 1   10   26   25 o   99.888   8.7335  1572.01  263.590  1510.69  418.014  1612.48  339.622   95.187   14.875  100.141   11.310 -4.954033 18.68582 
1 1 1   10   26   26 o   71.643   4.3155  791.169   93.927  835.122  103.116  577.013  227.613   73.562   4.6160   58.751   13.034 14.81082 13.82717 
1 1 1   10   26   27 o   23.356   7.5929   82.436   62.001   72.297   69.213  123.622  139.494   22.818   8.0191   30.680   11.306 -7.861855 13.86078 
1 1 1   10   27    0 o  164.509   5.7782  4157.50  289.321  4157.50  289.321  4157.50  289.321  164.509   5.7782  164.509   5.7782 0.000000 0.000000 
1 1 1   10   27    1 o  155.237   9.2525  3756.55  436.410  4032.28  639.637  3516.41  596.929  159.122   13.292  148.521   13.309 10.60062 18.80963 
1 1 1   10   27    2 o  181.203   9.7580  5125.62  537.698  5514.49  771.393  4758.12  749.901  186.001   13.684  172.321   14.389 13.67996 19.85690 
1 1 1   10   27    3 o  107.636   13.290  1858.61  427.331  1858.61  427.331   0.0000   0.0000  107.636   13.290  ?   ?  0.000000 13.28962 
1 1 1   10   27    4 o  142.361   5.3684  3112.07  233.268  3112.07  233.268   0.0000   0.0000  142.361   5.3684  ?   ?  0.000000 5.368424 
1 1 1   10   27    5 o  156.650   13.811  3926.00  653.578  3926.00  653.578   0.0000   0.0000  156.650   13.811  ?   ?  0.000000 13.81076 
1 1 1   10   27    6 o  305.500   21.429 15733.21  1985.54 15733.21  1985.54   0.0000   0.0000  305.500   21.429  ?   ?  0.000000 21.42923 
1 1 1   10   27    7 o  138.266   4.4044  2930.19  185.874  3083.36  204.040  2183.05  450.638  141.789   4.7147  116.843   12.848 24.94635 13.68594 
1 1 1   10   27    8 o   37.829   11.521  226.675  144.985  341.680  254.378  171.340  176.450   46.748   15.389   35.472   12.768 11.27560 19.99578 
1 1 1   10   27    9 o   46.691   4.7595  337.870   66.880  234.800  228.217  347.553   69.952   40.749   14.536   47.339   4.9128 -6.589432 15.34391 
1 1 1   10   27   10 o   58.551   4.1885  528.019   74.359  550.287   79.992  386.419  201.716   59.748   4.4177   48.512   13.249 11.23679 13.96624 
1 1 1   10   27   11 o   93.797   8.1805  1374.42  231.854  1351.43  347.160  1392.92  311.511   91.522   12.776   93.533   11.130 -2.011368 16.94422 
1 1 1   10   27   12 o   70.804   4.0775  770.784   87.747  799.023   95.237  612.148  225.728   72.057   4.3506   61.122   12.521 10.93501 13.25499 
1 1 1   10   27   13 o  101.360   11.204  1636.38  340.815   0.0000   0.0000  1636.38  340.815  ?   ?   101.360   11.204 0.000000 11.20352 
1 1 1   10   27   14 o  110.413   11.336  1942.22  376.596   0.0000   0.0000  1942.22  376.596  ?   ?   110.413   11.336 0.000000 11.33561 
1 1 1   10   27   15 o  101.691   11.146  1649.53  340.286   0.0000   0.0000  1649.53  340.286  ?   ?   101.691   11.146 0.000000 11.14598 
1 1 1   10   27   16 o  136.020   4.4765  2839.73  185.850  2809.78  215.380  2927.02  367.740  135.162   5.2207  136.695   8.8617 -1.532745 10.28524 
1 1 1   10   27   17 f   64.346   8.6955  656.860  166.405  576.248  299.863  692.732  200.032   58.258   16.250   65.626   10.328 -7.368172 19.25394 
1 1 1   10   27   18 o   90.830   4.2914  1266.18  118.971  1289.81  130.048  1144.94  294.589   91.509   4.6717   84.126   11.797 7.383385 12.68850 
1 1 1   10   27   19 o   58.595   8.5429  546.526  148.291  405.590  297.789  592.999  171.002   50.008   16.659   60.796   9.5285 -10.78712 19.19157 
1 1 1   10   27   20 o   24.668   7.1555   96.408   57.027  108.503   63.086   42.366  133.352   26.118   7.5116   25.864   10.596 0.2540150 12.98816 
1 1 1   10   27   21 o   45.473   9.5556  336.814  128.411  162.305  283.846  381.720  143.988   39.406   15.702   48.341   10.085 -8.934364 18.66160 
1 1 1   10   27   22 o  106.329   4.1399  1735.97  134.357  1831.82  147.643  1274.15  324.083  109.177   4.4306   88.284   12.366 20.89287 13.13600 
1 1 1   10   27   23 o   59.320   4.8111  545.082   86.359  547.503   94.473  532.773  212.987   59.366   5.2686   56.423   12.677 2.942123 13.72791 
1 1 1   10   28    0 f  107.627   14.452  1899.06  450.712  1899.06  450.712  1899.06  450.712  107.627   14.452  107.627   14.452 0.000000 0.000000 
1 1 1   10   28    1 o   93.562   4.6108  1343.84  131.672  1331.40  399.452  1345.36  139.467   89.582   15.149   93.453   4.9066 -3.870895 15.92421 
1 1 1   10   28    2 o  124.961   3.6519  2391.95  139.287  2249.63  197.671  2532.29  196.300  120.929   5.3554  128.365   5.0102 -7.436043 7.333686 
1 1 1   10   28    3 o  215.916   11.119  7378.86  730.261  7160.97  1030.17  7598.96  1035.35  208.466   16.321  215.197   15.875 -6.731293 22.76780 
1 1 1   10   28    4 o  128.219   8.4943  2570.66  330.546  3116.15  491.122  2118.94  446.922  139.824   11.613  114.489   13.021 25.33536 17.44721 
1 1 1   10   28    5 o  137.637   3.6776  2902.25  154.497  2972.33  221.239  2835.53  215.844  139.019   5.2140  135.783   5.2081 3.235519 7.369528 
1 1 1   10   28    6 o  209.190   5.6798  6740.73  362.653  6962.43  398.422  5669.69  875.724  212.435   6.1447  185.807   15.585 26.62802 16.75299 
1 1 1   10   28    7 o  211.928   16.265  7419.58  1044.05  7419.58  1044.05   0.0000   0.0000  211.928   16.265  ?   ?  0.000000 16.26456 
1 1 1   10   28    8 o  148.987   5.5129  3418.26  250.696  3418.26  250.696   0.0000   0.0000  148.987   5.5129  ?   ?  0.000000 5.512945 
1 1 1   10   28    9 o   97.328   4.6717  1455.24  138.780  1455.24  138.780   0.0000   0.0000   97.328   4.6717  ?   ?  0.000000 4.671658 
1 1 1   10   28   12 o   98.319   11.246  1552.87  331.408   0.0000   0.0000  1552.87  331.408  ?   ?    98.319   11.246 0.000000 11.24586 
1 1 1   10   28   13 o  105.926   8.2324  1760.64  264.069  1752.61  394.774  1767.14  355.245  103.760   12.732  104.891   11.273 -1.130386 17.00575 
1 1 1   10   28   14 o   81.159   11.232  1065.32  270.777   0.0000   0.0000  1065.32  270.777  ?   ?    81.159   11.232 0.000000 11.23202 
1 1 1   10   28   15 o  167.534   13.499  4579.67  684.421   0.0000   0.0000  4579.67  684.421  ?   ?   167.534   13.499 0.000000 13.49906 
1 1 1   10   28   16 o  109.924   11.361  1946.91  375.689   0.0000   0.0000  1946.91  375.689  ?   ?   109.924   11.361 0.000000 11.36131 
1 1 1   10   28   17 o  115.504   11.785  2158.82  409.662   0.0000   0.0000  2158.82  409.662  ?   ?   115.504   11.785 0.000000 11.78528 
1 1 1   10   28   18 o   54.531   12.960  500.310  212.539   0.0000   0.0000  500.310  212.539  ?   ?    54.531   12.960 0.000000 12.96042 
1 1 1   10   29    1 o  169.507   5.9082  4439.39  305.673  4439.39  305.673   0.0000   0.0000  169.507   5.9082  ?   ?  0.000000 5.908174 
1 1 1   10   29    2 o   42.071   13.973  280.681  209.546  438.161  311.560  150.605  283.158   51.400   17.036   38.892   15.619 12.50759 23.11211 
1 1 1   10   29    3 o   83.577   4.5943  1077.25  116.748  1092.06  380.212  1075.71  122.675   79.797   16.165   83.471   4.8358 -3.673302 16.87248 
1 1 1   10   29    4 o   63.809   15.955  702.639  309.924   0.0000   0.0000  702.639  309.924  ?   ?    63.809   15.955 0.000000 15.95522 
1 1 1   10   29    5 o   73.404   10.712  871.991  232.930  939.860  323.498  798.921  335.664   74.524   14.744   67.892   16.386 6.632744 22.04252 
1 1 1   10   29    6 o   74.067   5.3095  850.079  119.235  791.817  318.901  859.548  128.559   67.837   15.711   74.395   5.7052 -6.557068 16.71459 
1 1 1   10   29    7 o   68.745   16.449  820.876  340.518   0.0000   0.0000  820.876  340.518  ?   ?    68.745   16.449 0.000000 16.44876 
1 1 1   10   29    8 o  240.916   18.218  9997.00  1329.73   0.0000   0.0000  9997.00  1329.73  ?   ?   240.916   18.218 0.000000 18.21805 
1 1 1   10   29    9 o  105.732   11.529  1810.07  366.032   0.0000   0.0000  1810.07  366.032  ?   ?   105.732   11.529 0.000000 11.52898 
1 1 1   10   29   10 o  124.285   4.5544  2376.26  172.770  2392.23  188.953  2294.85  426.685  124.607   4.9681  118.906   11.917 5.700920 12.91121 
1 1 1   11    0    1 o  797.747   33.318 98456.97  8080.43 98456.97  8080.43 98456.97  8080.43  797.747   33.318  797.747   33.318 0.000000 0.000000 
1 1 1   11    0    2 f  338.578   14.757 17623.37  1518.40 17623.37  1518.40 17623.37  1518.40  338.578   14.757  338.578   14.757 0.000000 0.000000 
1 1 1   11    0    3 o   36.261   16.127  289.804  188.919  289.804  188.919  289.804  188.919   36.261   16.127   36.261   16.127 0.000000 0.000000 
1 1 1   11    0    4 o  519.518   10.026 41268.00  1588.54 41268.00  1588.54 41268.00  1588.54  519.518   10.026  519.518   10.026 0.000000 0.000000 
1 1 1   11    0    5 f  389.961   10.126 23273.18  1203.36 23273.18  1203.36 23273.18  1203.36  389.961   10.126  389.961   10.126 0.000000 0.000000 
1 1 1   11    0    6 o  444.249   8.6591 30171.23  1173.12 30171.23  1173.12 30171.23  1173.12  444.249   8.6591  444.249   8.6591 0.000000 0.000000 
1 1 1   11    0    7 o  584.216   14.675 52276.01  2612.97 52276.01  2612.97 52276.01  2612.97  584.216   14.675  584.216   14.675 0.000000 0.000000 
1 1 1   11    0    8 o   74.227   4.7457  851.253  106.510  851.253  106.510  851.253  106.510   74.227   4.7457   74.227   4.7457 0.000000 0.000000 
1 1 1   11    0    9 o  104.938   4.8306  1691.53  153.975  1691.53  153.975  1691.53  153.975  104.938   4.8306  104.938   4.8306 0.000000 0.000000 
1 1 1   11    0   10 o  378.211   9.2955 21885.55  1071.60 21885.55  1071.60 21885.55  1071.60  378.211   9.2955  378.211   9.2955 0.000000 0.000000 
1 1 1   11    0   11 o  660.310   15.360 66784.42  3091.96 66784.42  3091.96 66784.42  3091.96  660.310   15.360  660.310   15.360 0.000000 0.000000 
1 1 1   11    0   12 o  706.916   17.414 76610.92  3752.30 76610.92  3752.30 76610.92  3752.30  706.916   17.414  706.916   17.414 0.000000 0.000000 
1 1 1   11    0   13 o  823.046   15.594 103725.00  3914.19 103725.00  3914.19 103725.00  3914.19  823.046   15.594  823.046   15.594 0.000000 0.000000 
1 1 1   11    0   14 o  745.080   31.247 85967.33  7077.74 85967.33  7077.74 85967.33  7077.74  745.080   31.247  745.080   31.247 0.000000 0.000000 
1 1 1   11    0   15 o  296.900   8.6929 13497.61  786.230 13497.61  786.230 13497.61  786.230  296.900   8.6929  296.900   8.6929 0.000000 0.000000 
1 1 1   11    0   16 o  301.130   8.7929 13885.71  806.609 13885.71  806.609 13885.71  806.609  301.130   8.7929  301.130   8.7929 0.000000 0.000000 
1 1 1   11    0   17 f  153.254   8.8907  3623.68  412.674  3623.68  412.674  3623.68  412.674  153.254   8.8907  153.254   8.8907 0.000000 0.000000 
1 1 1   11    0   18 o  817.295   19.592 102617.80  4880.97 102617.80  4880.97 102617.80  4880.97  817.295   19.592  817.295   19.592 0.000000 0.000000 
1 1 1   11    0   19 o  149.785   3.9951  3432.00  182.354  3432.00  182.354  3432.00  182.354  149.785   3.9951  149.785   3.9951 0.000000 0.000000 
1 1 1   11    0   20 o  373.197   13.830 21405.38  1570.43 21405.38  1570.43 21405.38  1570.43  373.197   13.830  373.197   13.830 0.000000 0.000000 
1 1 1   11    0   21 o  320.448   6.6455 15703.25  649.352 15703.25  649.352 15703.25  649.352  320.448   6.6455  320.448   6.6455 0.000000 0.000000 
1 1 1   11    0   22 o  200.822   8.4638  6195.69  516.696  6195.69  516.696  6195.69  516.696  200.822   8.4638  200.822   8.4638 0.000000 0.000000 
1 1 1   11    0   23 o  479.242   8.9238 35144.33  1304.32 35144.33  1304.32 35144.33  1304.32  479.242   8.9238  479.242   8.9238 0.000000 0.000000 
1 1 1   11    0   24 o  243.259   12.017  9125.40  887.266  9125.40  887.266  9125.40  887.266  243.259   12.017  243.259   12.017 0.000000 0.000000 
1 1 1   11    0   25 o  308.549   8.4714 14586.47  796.448 14586.47  796.448 14586.47  796.448  308.549   8.4714  308.549   8.4714 0.000000 0.000000 
1 1 1   11    0   26 o  255.391   17.041 10157.21  1314.79 10157.21  1314.79 10157.21  1314.79  255.391   17.041  255.391   17.041 0.000000 0.000000 
1 1 1   11    0   29 o   90.018   5.1972  1249.92  141.708  1249.92  141.708  1249.92  141.708   90.018   5.1972   90.018   5.1972 0.000000 0.000000 
1 1 1   11    0   30 o   95.758   3.2598  1404.70   95.027  1404.70   95.027  1404.70   95.027   95.758   3.2598   95.758   3.2598 0.000000 0.000000 
1 1 1   11    0   31 o  114.149   3.2331  1993.94  112.440  1993.94  112.440  1993.94  112.440  114.149   3.2331  114.149   3.2331 0.000000 0.000000 
1 1 1   11    0   32 o  309.880   7.5077 14707.05  709.155 14707.05  709.155 14707.05  709.155  309.880   7.5077  309.880   7.5077 0.000000 0.000000 
1 1 1   11    0   33 o  205.339   4.8041  6450.25  300.720  6450.25  300.720  6450.25  300.720  205.339   4.8041  205.339   4.8041 0.000000 0.000000 
1 1 1   11    0   34 o  208.264   4.7861  6635.10  303.874  6635.10  303.874  6635.10  303.874  208.264   4.7861  208.264   4.7861 0.000000 0.000000 
1 1 1   11    0   35 f  486.497   9.5177 36277.57  1412.06 36277.57  1412.06 36277.57  1412.06  486.497   9.5177  486.497   9.5177 0.000000 0.000000 
1 1 1   11    0   36 o  704.324   16.170 76541.55  3472.00 76541.55  3472.00 76541.55  3472.00  704.324   16.170  704.324   16.170 0.000000 0.000000 
1 1 1   11    0   37 o   59.980   4.4791  558.567   80.949  558.567   80.949  558.567   80.949   59.980   4.4791   59.980   4.4791 0.000000 0.000000 
1 1 1   11    0   38 o  196.691   8.5344  5953.17  510.165  5953.17  510.165  5953.17  510.165  196.691   8.5344  196.691   8.5344 0.000000 0.000000 
1 1 1   11    0   39 o  348.840   8.2361 18649.33  875.824 18649.33  875.824 18649.33  875.824  348.840   8.2361  348.840   8.2361 0.000000 0.000000 
1 1 1   11    0   40 o  290.173   7.3448 12901.09  649.572 12901.09  649.572 12901.09  649.572  290.173   7.3448  290.173   7.3448 0.000000 0.000000 
1 1 1   11    0   41 o  109.415   5.2386  1841.50  174.035  1841.50  174.035  1841.50  174.035  109.415   5.2386  109.415   5.2386 0.000000 0.000000 
1 1 1   11    0   42 o  202.814   6.5115  6307.71  402.143  6307.71  402.143  6307.71  402.143  202.814   6.5115  202.814   6.5115 0.000000 0.000000 
1 1 1   11    0   43 o  193.420   4.6570  5724.64  274.573  5724.64  274.573  5724.64  274.573  193.420   4.6570  193.420   4.6570 0.000000 0.000000 
1 1 1   11    0   44 o   36.760   8.9737  240.172   87.224  240.172   87.224  240.172   87.224   36.760   8.9737   36.760   8.9737 0.000000 0.000000 
1 1 1   11    0   45 o  223.886   6.6222  7686.05  451.632  7686.05  451.632  7686.05  451.632  223.886   6.6222  223.886   6.6222 0.000000 0.000000 
1 1 1   11    0   46 o  386.112   7.0439 22833.48  829.501 22833.48  829.501 22833.48  829.501  386.112   7.0439  386.112   7.0439 0.000000 0.000000 
1 1 1   11    0   47 o   94.574   3.0358  1369.93   87.427  1369.93   87.427  1369.93   87.427   94.574   3.0358   94.574   3.0358 0.000000 0.000000 
1 1 1   11    0   48 o  135.113   5.5990  2805.70  229.998  2805.70  229.998  2805.70  229.998  135.113   5.5990  135.113   5.5990 0.000000 0.000000 
1 1 1   11    0   49 o  297.307   8.4822 13588.05  768.296 13588.05  768.296 13588.05  768.296  297.307   8.4822  297.307   8.4822 0.000000 0.000000 
1 1 1   11    0   50 o   61.342   6.7116  596.422  121.835  596.422  121.835  596.422  121.835   61.342   6.7116   61.342   6.7116 0.000000 0.000000 
1 1 1   11    0   51 o   71.634   3.9552  791.283   85.876  791.283   85.876  791.283   85.876   71.634   3.9552   71.634   3.9552 0.000000 0.000000 
1 1 1   11    0   52 o  162.456   5.2803  4051.18  261.197  4051.18  261.197  4051.18  261.197  162.456   5.2803  162.456   5.2803 0.000000 0.000000 
1 1 1   11    0   53 o  191.025   5.7170  5603.55  332.654  5603.55  332.654  5603.55  332.654  191.025   5.7170  191.025   5.7170 0.000000 0.000000 
1 1 1   11    0   54 o  184.263   13.988  5392.12  776.297  5392.12  776.297  5392.12  776.297  184.263   13.988  184.263   13.988 0.000000 0.000000 
1 1 1   11    0   55 o   52.409   5.0528  432.159   79.101  432.159   79.101  432.159   79.101   52.409   5.0528   52.409   5.0528 0.000000 0.000000 
1 1 1   11    0   56 o   40.372   13.598  326.365  149.768  326.365  149.768  326.365  149.768   40.372   13.598   40.372   13.598 0.000000 0.000000 
1 1 1   11    1    0 o  370.749   9.0950 21028.41  1027.80 21028.41  1027.80 21028.41  1027.80  370.749   9.0950  370.749   9.0950 0.000000 0.000000 
1 1 1   11    1    1 f  519.360   11.655 41244.00  1847.56 47956.31  3635.99 38907.68  2145.13  558.769   21.319  504.227   13.938 54.54199 25.47136 
1 1 1   11    1    2 o  525.476   9.7562 42196.94  1564.77 47089.52  5073.57 41682.63  1644.96  551.095   30.279  522.222   10.320 28.87341 31.98918 
1 1 1   11    1    3 o  158.495   3.9516  3834.54  191.161  4185.35  273.157  3497.81  267.614  165.570   5.4052  151.356   5.7928 14.21381 7.922960 
1 1 1   11    1    4 o  437.935   5.9404 29283.74  794.042 28069.03  1152.15 30382.65  1095.86  428.626   8.8067  445.982   8.0504 -17.35605 11.93177 
1 1 1   11    1    5 o  228.917   5.1106  8000.30  357.080  7731.08  424.459  8652.18  660.490  225.012   6.1803  237.963   9.0937 -12.95061 10.99507 
1 1 1   11    1    6 o  145.825   4.2588  3246.11  189.554  3251.80  208.879  3219.56  451.216  145.948   4.6890  144.771   10.278 1.176804 11.29724 
1 1 1   11    1    7 o  470.148   12.343 33809.04  1771.28 33267.26  2283.22 34627.97  2807.09  466.004   16.052  475.029   19.361 -9.025452 25.14978 
1 1 1   11    1    8 o  225.290   4.3105  7748.04  296.406  7867.73  619.581  7712.52  337.538  226.919   8.9456  224.764   4.9202 2.155319 10.20941 
1 1 1   11    1    9 o  311.499   6.5822 14817.90  625.815 15209.75  1075.88 14617.51  769.364  315.394   11.176  309.331   8.1488 6.063324 13.83146 
1 1 1   11    1   10 o  113.722   9.9719  1991.86  342.635  2016.31  594.573  1979.70  419.249  113.321   17.775  113.094   12.346 0.2271500 21.64192 
1 1 1   11    1   11 o  512.785   21.782 40433.90  3409.21 41270.91  4820.34 39596.18  4822.37  515.254   30.792  504.448   31.478 10.80551 44.03356 
1 1 1   11    1   12 o  245.166   6.4232  9179.20  480.652  9148.61  516.431  9377.25  1314.20  244.744   6.9133  246.637   17.573 -1.892593 18.88362 
1 1 1   11    1   13 o  776.370   13.114 92258.17  3107.58 92088.27  3252.68 94036.02 10521.68  775.543   13.741  770.559   44.931 4.984619 46.98564 
1 1 1   11    1   14 o   83.730   2.8562  1070.08   72.995  1065.79   90.124  1078.26  124.456   83.559   3.5337   83.896   4.8814 -0.3368530 6.026168 
1 1 1   11    1   15 o  569.333   8.9265 49541.95  1551.20 49339.32  1900.13 49946.79  2685.89  567.951   10.961  570.806   15.416 -2.854370 18.91589 
1 1 1   11    1   16 o  215.710   11.131  7137.73  730.394  7219.02  1045.81  7060.32  1020.52  216.359   15.949  213.986   15.735 2.373901 22.40473 
1 1 1   11    1   17 o  193.242   3.7184  5700.62  219.321  5993.19  380.310  5554.83  268.458  198.084   6.2903  190.740   4.6112 7.343872 7.799451 
1 1 1   11    1   18 o  280.052   5.6738 11978.31  484.989 11897.58  580.347 12165.25  883.076  279.059   6.8136  281.984   10.260 -2.924774 12.31653 
1 1 1   11    1   19 o  281.571   3.8505 12104.05  330.921 11999.15  530.886 12170.71  423.199  280.262   6.2061  282.311   4.9113 -2.049316 7.914357 
1 1 1   11    1   20 o  355.331   7.1866 19297.23  779.427 18811.99  935.414 20399.25  1409.69  350.711   8.7385  364.770   12.662 -14.05887 15.38428 
1 1 1   11    1   21 o  344.790   4.7071 18155.13  495.370 17937.19  700.520 18373.12  700.596  342.591   6.6993  346.735   6.6199 -4.143738 9.418253 
1 1 1   11    1   22 o  168.917   3.8974  4356.76  200.938  4169.56  372.361  4433.67  238.672  165.136   7.3876  170.385   4.5894 -5.248306 8.697083 
1 1 1   11    1   23 o  530.976   6.9940 43106.02  1133.48 41085.13  1602.73 45128.21  1603.24  517.854   10.140  542.830   9.6765 -24.97632 14.01616 
1 1 1   11    1   24 o  338.129   6.5085 17478.36  671.708 17251.58  949.625 17705.44  950.252  335.630   9.2699  340.031   9.1559 -4.400848 13.02927 
1 1 1   11    1   25 o  385.198   16.624 22916.26  1954.51 23360.54  2786.48 22485.98  2742.23  385.852   23.776  378.500   23.859 7.351868 33.68297 
1 1 1   11    1   26 o  106.638   10.520  1760.93  337.942   0.0000   0.0000  1760.93  337.942  ?   ?   106.638   10.520 0.000000 10.51982 
1 1 1   11    1   27 o  472.390   12.421 34307.16  1790.97 33835.22  1972.43 36523.96  4274.84  468.731   13.787  478.613   29.405 -9.881500 32.47688 
1 1 1   11    1   28 o  177.023   6.0624  4791.17  327.559  4791.17  327.559   0.0000   0.0000  177.023   6.0624  ?   ?  0.000000 6.062387 
1 1 1   11    1   29 o  200.213   6.1051  6129.36  373.081  6129.36  373.081   0.0000   0.0000  200.213   6.1051  ?   ?  0.000000 6.105114 
1 1 1   11    1   30 o  123.465   3.6515  2328.03  137.602  2387.02  181.819  2248.95  210.519  124.987   4.7660  121.287   5.6867 3.700150 7.419793 
1 1 1   11    1   31 o  489.226   7.5470 36644.37  1126.94 37380.52  1833.64 36197.52  1428.59  492.841   12.190  485.742   9.6358 7.099304 15.53818 
1 1 1   11    1   32 o  293.081   5.2904 13130.39  473.249 12901.44  642.412 13402.08  699.817  290.304   7.2501  295.818   7.7507 -5.513733 10.61310 
1 1 1   11    1   33 o  135.584   3.3285  2807.37  137.744  2838.65  152.131  2665.03  324.493  136.328   3.6561  131.634   8.1160 4.693573 8.901471 
1 1 1   11    1   34 o  132.171   2.6189  2667.16  105.651  2662.72  193.874  2669.04  126.004  131.993   4.8123  132.206   3.1226 -0.2123871 5.736613 
1 1 1   11    1   35 o  144.833   3.6684  3204.08  162.167  3419.46  235.549  3010.00  223.596  149.559   5.1600  140.316   5.2208 9.242538 7.340525 
1 1 1   11    1   36 o  159.876   3.2741  3903.56  159.768  4180.98  782.059  3891.48  163.210  163.435   15.878  159.626   3.3499 3.809128 16.22746 
1 1 1   11    1   37 o  242.834   6.3500  9023.48  470.652  9230.53  1387.00  8996.54  500.338  242.377   18.898  242.427   6.7618 -0.5044556E-01 20.07120 
1 1 1   11    1   38 o   87.350   3.7705  1165.54  100.525  1284.18  206.542  1128.70  115.075   91.257   7.4810   85.831   4.4074 5.426537 8.682763 
1 1 1   11    1   39 o  249.990   4.0014  9547.86  305.318  9962.16  528.800  9340.67  373.945  255.095   6.7916  247.191   4.9563 7.904022 8.407798 
1 1 1   11    1   40 o  538.229   10.942 44578.00  1797.54 45108.65  2219.21 43565.66  3065.17  540.282   13.457  527.692   19.031 12.58978 23.30822 
1 1 1   11    1   41 o  166.661   3.6734  4243.04  186.861  3984.29  264.661  4500.24  263.865  161.411   5.3721  171.565   5.0389 -10.15433 7.365430 
1 1 1   11    1   42 o  237.987   3.8247  8653.01  277.824  8754.39  479.695  8601.84  340.801  239.121   6.5725  237.215   4.7070 1.906311 8.084132 
1 1 1   11    1   43 o  185.791   3.2904  5272.37  186.592  5236.26  224.521  5352.99  335.490  185.118   3.9737  187.032   5.8769 -1.914474 7.094203 
1 1 1   11    1   44 o  260.843   3.3989 10393.51  270.606 10328.24  357.475 10481.12  414.137  259.928   4.5058  261.773   5.1832 -1.845306 6.867940 
1 1 1   11    1   45 o  157.230   3.6925  3777.33  177.204  3812.10  240.023  3735.67  262.721  157.874   4.9811  156.245   5.5090 1.628815 7.426988 
1 1 1   11    1   46 o  187.464   3.4442  5369.26  197.069  5492.35  266.028  5219.56  293.369  189.517   4.5990  184.699   5.2039 4.818497 6.944898 
1 1 1   11    1   47 o  300.142   4.4546 13776.10  408.088 14053.43  550.826 13438.67  607.588  302.904   5.9579  296.058   6.7238 6.846649 8.983651 
1 1 1   11    1   48 o  197.131   3.8088  5940.21  229.171  6189.21  282.297  5458.91  392.469  201.145   4.5981  188.639   6.8164 12.50667 8.222312 
1 1 1   11    1   49 o  225.660   5.0811  7796.07  349.967  7853.25  494.874  7738.88  494.983  226.132   7.1700  224.468   7.2247 1.663528 10.17862 
1 1 1   11    1   50 o   27.744   6.0740  122.647   50.009  144.610   73.302  103.524   68.400   30.108   7.8836   25.907   7.9180 4.201147 11.17341 
1 1 1   11    1   51 o  164.078   3.6753  4117.03  184.059  4013.76  273.110  4202.97  249.135  161.796   5.5304  165.645   4.9276 -3.849289 7.407207 
1 1 1   11    1   52 o  156.654   4.4744  3758.19  213.939  4163.12  403.887  3600.26  252.231  164.241   8.0568  153.207   5.3939 11.03384 9.695683 
1 1 1   11    1   53 o  205.466   4.4627  6468.00  279.868  6943.29  395.871  5993.09  395.715  212.520   6.1029  197.328   6.5702 15.19113 8.967316 
1 1 1   11    1   54 o   55.724   7.6194  488.540  126.197  557.269  172.960  410.298  184.543   59.024   9.9549   50.063   12.191 8.960480 15.73893 
1 1 1   11    1   55 o   62.411   5.9228  604.865  111.474  643.241  147.156  553.192  170.760   64.016   7.6849   58.757   9.8716 5.259098 12.51028 
1 1 1   11    1   56 o  225.423   5.2949  7814.61  364.315  8300.42  432.877  6634.91  674.554  232.031   6.1123  204.989   10.820 27.04199 12.42672 
1 1 1   11    2    0 o   42.754   4.7758  289.300   60.330  289.300   60.330  289.300   60.330   42.754   4.7758   42.754   4.7758 0.000000 0.000000 
1 1 1   11    2    1 o  188.195   3.4504  5406.00  198.194  5428.40  258.530  5374.06  308.664  188.573   4.4917  187.615   5.3902 0.9582977 7.016366 
1 1 1   11    2    2 o  322.167   10.095 15862.95  992.688 17064.08  1989.46 15464.75  1145.47  332.889   19.668  318.012   11.801 14.87726 22.93644 
1 1 1   11    2    3 o  476.265   16.429 34751.36  2388.18 36407.93  4139.64 33924.98  2923.79  484.894   28.091  470.077   20.378 14.81702 34.70370 
1 1 1   11    2    4 o  427.575   6.4890 27917.48  846.853 28770.38  1314.94 27313.00  1106.99  433.879   9.9293  422.824   8.5777 11.05545 13.12124 
1 1 1   11    2    5 o  290.660   5.2670 12898.37  467.270 14104.34  968.338 12532.32  533.492  303.764   10.444  286.486   6.1011 17.27798 12.09560 
1 1 1   11    2    6 o  538.576   8.8521 44318.38  1455.16 44570.41  2057.21 44065.99  2058.62  539.797   12.486  536.725   12.566 3.071228 17.71486 
1 1 1   11    2    7 o   88.148   4.1410  1186.11  111.412  1209.97  235.493  1179.23  126.459   88.552   8.8307   87.761   4.7386 0.7910690 10.02173 
1 1 1   11    2    8 o  286.393   6.8835 12526.32  601.710 13405.26  1709.16 12401.97  642.865  294.955   19.087  284.952   7.3915 10.00278 20.46848 
1 1 1   11    2    9 o  193.075   4.0162  5690.46  236.680  5697.82  588.834  5689.04  258.479  192.813   10.040  193.046   4.3868 -0.2335510 10.95675 
1 1 1   11    2   10 o  914.367   15.183 128059.40  4237.26 123784.90 10127.83 128966.40  4665.19  890.877   37.246  917.257   16.663 -26.38086 40.80372 
1 1 1   11    2   11 f  329.221   5.7639 16549.95  579.188 16475.67  629.885 16956.49  1473.54  328.465   6.2828  332.760   14.508 -4.295685 15.81022 
1 1 1   11    2   12 o  284.675   5.1199 12373.09  444.866 12410.96  463.453 11929.16  1586.76  285.105   5.3258  278.132   18.802 6.973022 19.54154 
1 1 1   11    2   13 o  363.539   8.2697 20193.35  917.612 20075.66  980.810 21019.31  2598.33  362.445   8.8659  368.676   23.209 -6.230804 24.84471 
1 1 1   11    2   14 o  300.813   6.7995 13821.30  624.295 13610.14  1012.86 13950.68  792.799  298.295   11.125  302.141   8.5968 -3.846558 14.05925 
1 1 1   11    2   15 o  330.616   7.2719 16698.53  733.817 16413.33  785.487 18654.92  2057.25  327.752   7.8519  347.822   19.456 -20.06958 20.98083 
1 1 1   11    2   16 o  227.243   3.9483  7883.32  273.855  7931.51  444.175  7853.77  347.834  227.877   6.3861  226.794   5.0248 1.083084 8.125966 
1 1 1   11    2   17 o  406.550   7.3833 25254.87  916.185 25241.44  1293.85 25268.38  1297.52  406.195   10.436  406.409   10.460 -0.2144775 14.77572 
1 1 1   11    2   18 o  157.397   3.2763  3781.76  157.396  3883.84  232.326  3695.16  213.987  159.484   4.7727  155.566   4.5067 3.917480 6.564190 
1 1 1   11    2   19 o  251.426   4.2827  9652.06  328.661  9489.09  553.937  9740.59  408.290  249.178   7.2834  252.543   5.2968 -3.364944 9.005780 
1 1 1   11    2   20 o  278.812   5.4285 11873.77  461.966 12576.65  1131.60 11733.19  506.057  286.364   12.947  277.131   5.9827 9.233002 14.26208 
1 1 1   11    2   21 o  170.850   3.3615  4456.32  175.293  4320.99  220.654  4687.86  288.614  168.216   4.2976  175.182   5.3977 -6.965500 6.899625 
1 1 1   11    2   22 o  354.666   5.0393 19213.96  545.518 19223.32  771.509 19204.61  771.448  354.592   7.1284  354.419   7.1314 0.1728821 10.08320 
1 1 1   11    2   23 o  574.010   11.663 50547.42  2043.32 47300.17  4016.03 51681.65  2373.49  550.691   23.893  579.928   13.409 -29.23663 27.39855 
1 1 1   11    2   24 o  271.023   6.5115 11229.55  538.645 11077.77  640.553 11596.04  995.315  269.082   7.7992  274.850   11.864 -5.768188 14.19835 
1 1 1   11    2   25 o  124.656   4.6489  2373.71  176.882  2400.65  197.031  2261.84  401.509  125.348   5.1499  120.928   10.998 4.420097 12.14433 
1 1 1   11    2   26 o  296.605   7.9181 13464.88  716.829 13464.88  716.829   0.0000   0.0000  296.605   7.9181  ?   ?  0.000000 7.918088 
1 1 1   11    2   27 o  123.622   3.2487  2333.46  122.582  2684.72  164.930  1899.97  183.224  132.581   4.0757  111.500   5.3838 21.08092 6.752526 
1 1 1   11    2   28 o  442.067   8.3262 29928.30  1123.44 29474.01  1517.38 30479.45  1671.34  438.044   11.349  445.202   12.300 -7.157654 16.73559 
1 1 1   11    2   29 o   32.179   7.1037  164.667   67.904  164.667   67.904   0.0000   0.0000   32.179   7.1037  ?   ?  0.000000 7.103694 
1 1 1   11    2   30 o   96.859   3.2847  1432.60   97.108  1433.08   98.748  1418.36  535.046   96.874   3.3397   93.802   19.331 3.072166 19.61719 
1 1 1   11    2   31 o  727.702   16.560 82082.93  3678.13 86117.37  6740.19 80372.02  4389.28  732.394   30.152  717.508   20.042 14.88647 36.20520 
1 1 1   11    2   32 o  427.431   6.5690 27953.28  857.002 27651.41  1084.41 28455.45  1398.67  424.779   8.3640  430.358   10.648 -5.578308 13.54016 
1 1 1   11    2   33 o  260.646   4.5393 10381.01  361.124 10116.84  778.956 10453.33  407.568  256.690   9.9423  261.508   5.1062 -4.817566 11.17686 
1 1 1   11    2   34 o  201.874   3.9616  6225.59  244.103  6183.74  345.800  6267.17  344.630  201.092   5.6340  202.448   5.5773 -1.356018 7.927645 
1 1 1   11    2   35 o  191.355   3.8906  5593.66  227.236  5548.14  590.842  5601.56  246.171  189.752   10.239  191.474   4.2122 -1.722153 11.07202 
1 1 1   11    2   36 o  323.374   4.7263 15982.25  466.489 16373.60  1388.67 15932.47  495.269  325.453   13.980  322.838   5.0262 2.614227 14.85569 
1 1 1   11    2   37 o  241.392   4.4636  8904.58  328.874  8679.25  483.292  9098.91  448.816  238.125   6.6495  243.878   6.0295 -5.752945 8.976079 
1 1 1   11    2   38 o   89.071   2.8204  1211.41   76.678  1288.22  108.935  1135.97  107.950   91.829   3.8866   86.227   4.1017 5.601921 5.650598 
1 1 1   11    2   39 o  182.403   2.9708  5080.56  165.392  5184.52  248.551  4997.95  221.568  184.192   4.4211  180.869   4.0135 3.323364 5.971118 
1 1 1   11    2   40 o  140.996   3.5023  3036.51  150.725  3035.98  171.080  3038.37  318.604  140.967   3.9762  140.633   7.4490 0.3339081 8.443797 
1 1 1   11    2   41 o  158.282   3.5310  3826.86  170.589  3951.25  258.776  3731.25  226.862  160.745   5.2743  156.235   4.7574 4.509720 7.102899 
1 1 1   11    2   42 o  203.787   2.6394  6341.17  164.174  6681.03  300.546  6196.63  196.001  209.057   4.7101  201.427   3.1880 7.630081 5.687578 
1 1 1   11    2   43 o  131.804   2.4813  2652.52   99.822  2803.82  129.945  2434.70  155.917  135.491   3.1422  126.226   4.0470 9.265663 5.123599 
1 1 1   11    2   44 o  333.251   4.4186 16976.24  449.443 17633.57  621.969 16257.90  650.186  339.407   6.0039  325.807   6.5382 13.59949 8.876653 
1 1 1   11    2   45 o  317.914   4.4833 15452.06  435.033 15285.12  601.490 15635.17  629.956  315.926   6.2377  319.483   6.4602 -3.556763 8.980170 
1 1 1   11    2   46 o  409.802   5.4363 25702.12  679.983 26317.06  797.157 24059.33  1302.92  414.474   6.3013  394.838   10.811 19.63544 12.51367 
1 1 1   11    2   47 o  186.888   3.5469  5337.26  202.326  6035.90  515.411  5209.99  219.984  198.126   8.5230  184.621   3.9039 13.50523 9.374561 
1 1 1   11    2   48 o   88.891   4.7024  1212.25  127.129  1219.50  128.946  960.356  759.821   89.151   4.7559   78.094   26.610 11.05716 27.03156 
1 1 1   11    2   49 f  157.558   4.3198  3797.33  207.743  4209.47  370.256  3607.98  250.969  165.528   7.3285  153.484   5.3572 12.04376 9.077819 
1 1 1   11    2   50 o  150.421   2.9656  3457.25  136.158  3627.86  223.865  3357.08  171.533  153.939   4.7645  148.168   3.7929 5.771271 6.089913 
1 1 1   11    2   51 o  180.303   6.5311  4994.17  359.423  5132.58  576.373  4906.11  459.769  181.571   10.444  178.311   8.4478 3.259277 13.43303 
1 1 1   11    2   52 o  227.379   6.0170  7940.61  417.586  7903.58  485.248  8046.29  819.847  226.590   7.0162  226.516   11.900 0.7394409E-01 13.81424 
1 1 1   11    2   53 o  176.709   3.6415  4778.12  196.404  5182.11  278.529  4378.58  276.993  183.819   4.9644  168.896   5.3732 14.92238 7.315454 
1 1 1   11    2   54 o  272.719   6.2800 11451.57  522.747 11677.54  606.867 10801.73  1029.13  275.001   7.2301  261.177   12.910 13.82477 14.79646 
1 1 1   11    2   55 o   61.327   3.8200  578.283   71.149  702.972  122.459  514.744   87.417   67.301   6.0252   57.681   5.0152 9.620674 7.839331 
1 1 1   11    2   56 o  157.292   6.6339  3821.75  318.490  4123.50  462.608  3549.84  439.133  162.158   9.3868  150.316   9.6219 11.84253 13.44220 
1 1 1   11    3    0 o  260.083   7.5000 10353.46  594.254 10353.46  594.254 10353.46  594.254  260.083   7.5000  260.083   7.5000 0.000000 0.000000 
1 1 1   11    3    1 o  402.554   5.5008 24741.58  675.871 25310.83  980.983 24227.21  932.510  407.064   7.8955  398.265   7.6712 8.798920 11.00851 
1 1 1   11    3    2 o  401.403   10.788 24631.23  1321.77 25154.36  2093.38 24284.41  1704.51  405.140   16.929  398.333   14.020 6.806122 21.98030 
1 1 1   11    3    3 o   90.421   3.3234  1247.95   91.720  953.860  135.877  1494.14  124.317   78.835   5.6850   98.934   4.1169 -20.09918 7.019112 
1 1 1   11    3    4 o  110.421   3.7369  1861.13  125.946  1949.64  146.653  1612.42  245.841  113.012   4.2516  102.435   7.9247 10.57710 8.993115 
1 1 1   11    3    5 o  433.366   5.8351 28675.93  771.831 29418.82  1065.18 27854.70  1119.94  438.848   7.9523  426.989   8.5933 11.85919 11.70831 
1 1 1   11    3    6 o  501.884   9.7729 38496.27  1497.07 38254.27  2557.72 38622.38  1846.40  499.605   16.773  502.518   12.038 -2.913147 20.64575 
1 1 1   11    3    7 o  304.504   8.0613 14164.66  749.234 14549.40  1825.58 14086.73  821.618  307.254   19.568  303.634   8.8655 3.620422 21.48282 
1 1 1   11    3    8 o  611.711   18.029 57394.57  3366.24 57252.64  4756.31 57537.01  4764.87  609.406   25.571  610.921   25.553 -1.515747 36.15036 
1 1 1   11    3    9 o  724.313   15.116 80355.11  3341.73 78985.46  6563.48 80834.40  3882.64  714.292   30.105  726.019   17.521 -11.72711 34.83261 
1 1 1   11    3   10 o  678.203   10.087 70311.38  2088.05 67546.86  3237.92 72279.51  2732.02  663.909   15.979  687.251   13.024 -23.34192 20.61425 
1 1 1   11    3   11 o  502.498   8.5287 38582.07  1308.09 38394.20  1779.24 38803.08  1929.74  501.010   11.635  503.577   12.555 -2.566864 17.11735 
1 1 1   11    3   12 o  311.066   6.9519 14779.37  660.045 15325.21  1065.07 14439.03  841.010  316.557   11.023  307.378   8.9642 9.179016 14.20807 
1 1 1   11    3   13 o  576.627   14.421 50934.03  2538.10 50934.03  2538.10   0.0000   0.0000  576.627   14.421  ?   ?  0.000000 14.42108 
1 1 1   11    3   14 o  429.703   7.9663 28212.90  1044.82 26840.67  1413.01 29868.22  1551.93  418.890   11.052  441.841   11.508 -22.95062 15.95515 
1 1 1   11    3   15 o  968.959   13.207 143789.70  3906.04 146672.91  6056.17 141736.00  5111.21  976.280   20.324  960.763   17.430 15.51740 26.77415 
1 1 1   11    3   16 o  298.703   5.3028 13624.81  483.466 13976.72  680.782 13266.75  686.704  302.450   7.3746  294.656   7.6355 7.794342 10.61534 
1 1 1   11    3   17 o  567.770   8.1915 49274.10  1419.56 47891.04  2199.83 50260.99  1858.24  559.094   12.891  573.120   10.623 -14.02557 16.70394 
1 1 1   11    3   18 o  107.378   2.7043  1759.94   88.633  1762.64  111.647  1755.34  145.755  107.454   3.4041  107.220   4.4538 0.2341995 5.605742 
1 1 1   11    3   19 o  340.776   5.5150 17737.74  573.630 18158.22  712.512 16963.15  967.067  344.717   6.7719  332.971   9.5155 11.74606 11.67923 
1 1 1   11    3   20 o   99.263   3.2681  1504.21   99.014  1504.62  209.661  1504.09  112.330   98.973   6.9852   99.255   3.7079 -0.2814331 7.908320 
1 1 1   11    3   21 o  133.471   4.4214  2720.50  180.120  2677.71  198.179  2923.68  431.866  132.407   4.9038  137.778   10.345 -5.370514 11.44850 
1 1 1   11    3   22 o  227.736   4.9054  7922.01  340.972  7907.59  460.106  7939.58  507.834  227.445   6.6277  227.865   7.3017 -0.4202118 9.861132 
1 1 1   11    3   23 o  460.102   8.9541 32410.09  1257.46 30538.31  1777.98 34283.26  1778.65  445.817   13.066  472.536   12.332 -26.71970 17.96691 
1 1 1   11    3   24 o  489.444   21.026 37248.70  3141.03 35348.16  4441.18 39150.77  4442.98  470.763   31.084  496.617   29.443 -25.85403 42.81427 
1 1 1   11    3   25 o  183.419   3.5840  5137.22  200.645  5249.77  244.284  4903.85  351.756  185.393   4.3170  179.089   6.4351 6.303925 7.748992 
1 1 1   11    3   26 o  309.587   5.8876 14650.78  556.341 14575.76  611.083 15014.16  1344.83  308.739   6.4847  312.196   14.113 -3.456604 15.53163 
1 1 1   11    3   27 o  158.809   4.1712  3852.21  202.185  3924.83  229.217  3597.64  429.155  160.281   4.6854  152.941   9.2367 7.339844 10.35707 
1 1 1   11    3   28 o  276.712   5.3124 11702.33  448.683 11673.61  635.413 11730.89  633.658  276.170   7.5381  276.851   7.4988 -0.6809387 10.63274 
1 1 1   11    3   29 o   88.155   2.6530  1186.44   71.385  1130.95  126.740  1212.23   86.392   85.894   4.8542   89.101   3.1767 -3.206467 5.801236 
1 1 1   11    3   30 o  330.418   7.5913 16715.08  765.595 17203.39  1508.18 16545.57  888.599  333.714   14.807  328.548   8.8612 5.166351 17.25573 
1 1 1   11    3   31 o   93.711   4.6154  1341.86  132.013  1353.00  135.916  1156.21  554.832   93.976   4.7539   84.325   21.493 9.651016 22.01280 
1 1 1   11    3   32 o  289.886   6.0104 12852.42  531.797 13308.33  717.051 12295.11  792.788  294.740   7.9707  283.122   9.1741 11.61725 12.15303 
1 1 1   11    3   33 o  100.607   3.5288  1545.89  108.359  1484.11  147.623  1618.06  159.558   98.540   4.9082  102.886   5.0810 -4.345337 7.064471 
1 1 1   11    3   34 f  338.376   5.3393 17505.71  551.442 17678.50  926.291 17410.85  686.312  339.483   8.9395  337.286   6.6666 2.197388 11.15160 
1 1 1   11    3   35 o  191.458   3.3625  5598.32  196.499  5924.68  333.908  5425.42  243.038  196.834   5.5579  188.438   4.2256 8.395599 6.981812 
1 1 1   11    3   36 f  300.280   5.5761 13789.10  511.059 13907.63  752.131 13687.45  696.558  301.209   8.1810  298.901   7.6351 2.308289 11.19034 
1 1 1   11    3   37 o  191.943   3.1256  5626.25  183.113  5690.33  265.137  5567.82  253.197  192.965   4.5017  190.886   4.3458 2.079605 6.257068 
1 1 1   11    3   38 o  223.765   3.8071  7648.90  260.019  7628.86  332.597  7680.39  416.998  223.402   4.8777  224.053   6.0977 -0.6517487 7.808568 
1 1 1   11    3   39 o  238.605   4.5274  8700.80  329.718  8632.19  390.612  8870.85  614.945  237.593   5.3864  240.515   8.3768 -2.922302 9.959076 
1 1 1   11    3   40 o  461.516   6.8581 32613.65  966.061 34206.70  1627.30 31746.65  1200.50  471.314   11.312  454.897   8.6463 16.41696 14.23800 
1 1 1   11    3   41 o  333.104   5.1850 16966.79  527.165 17871.01  890.867 16479.56  653.949  341.290   8.5521  328.098   6.5301 13.19196 10.76016 
1 1 1   11    3   42 o  110.968   2.6222  1880.23   88.815  1892.34  116.494  1863.43  137.249  111.304   3.4291  110.430   4.0720 0.8739014 5.323490 
1 1 1   11    3   43 o  106.605   2.9985  1735.63   97.565  1653.51  142.264  1808.55  134.058  104.006   4.4815  108.789   4.0373 -4.783226 6.031835 
1 1 1   11    3   44 o  140.595   2.9930  3018.96  128.439  3206.95  172.476  2784.94  192.438  144.867   3.9007  134.962   4.6716 9.905777 6.085968 
1 1 1   11    3   45 o  184.683   2.8187  5208.99  158.889  5522.77  283.780  5065.71  191.764  190.026   4.8928  182.092   3.4503 7.933441 5.986966 
1 1 1   11    3   46 o  222.749   4.0437  7584.29  274.925  8351.61  381.859  6758.52  396.138  233.605   5.3555  210.049   6.1789 23.55562 8.176809 
1 1 1   11    3   47 o  225.460   4.3280  7772.96  297.830  8313.14  658.397  7633.99  333.952  232.333   9.2845  223.373   4.8982 8.960709 10.49736 
1 1 1   11    3   48 o  127.407   7.8568  2504.23  304.040  2557.58  326.873  2161.92  828.023  128.669   8.3687  113.190   24.664 15.47894 26.04536 
1 1 1   11    3   49 o  152.555   3.0805  3556.01  143.438  3581.62  171.873  3497.25  260.361  153.064   3.6789  151.074   5.6464 1.989716 6.739134 
1 1 1   11    3   50 o  167.502   3.1870  4288.00  162.939  4273.17  211.575  4309.60  255.435  167.129   4.1476  167.749   4.9889 -0.6197510 6.487786 
1 1 1   11    3   51 o   78.078   3.1932  931.857   76.097  933.999   98.004  928.607  120.760   78.017   4.1304   77.676   5.1223 0.3409042 6.580127 
1 1 1   11    3   52 o  154.185   5.2847  3646.40  248.701  3520.75  298.838  3929.51  448.566  151.316   6.4705  158.968   9.2852 -7.652725 11.31731 
1 1 1   11    3   53 o   85.368   3.7919  1115.47   98.803  1147.96  162.088  1096.26  124.635   86.172   6.2042   84.412   4.8580 1.759903 7.879806 
1 1 1   11    3   54 o  239.352   3.3713  8765.92  246.294  9273.56  350.838  8272.65  345.840  245.888   4.6747  232.188   4.8800 13.70061 6.757734 
1 1 1   11    3   55 o   25.816   6.9395  106.468   55.859   97.737  138.820  108.155   61.017   29.331   11.178   26.088   7.3491 3.242739 13.37711 
1 1 1   11    3   56 o  253.653   5.2772  9896.07  408.563 10361.58  444.603  7368.94  1035.91  259.417   5.6151  211.609   16.161 47.80794 17.10860 
1 1 1   11    4    0 o  272.803   5.5681 11374.58  463.197 11374.58  463.197 11374.58  463.197  272.803   5.5681  272.803   5.5681 0.000000 0.000000 
1 1 1   11    4    1 o  626.151   12.927 59983.67  2470.48 57685.11  3049.66 64371.60  4213.60  613.587   16.284  647.257   21.328 -33.67004 26.83404 
1 1 1   11    4    2 o  659.984   12.683 66635.20  2554.98 64415.13  3072.23 71614.29  4600.91  648.507   15.521  682.524   22.086 -34.01758 26.99400 
1 1 1   11    4    3 o  523.071   8.2583 41798.02  1318.46 38795.52  3293.84 42370.88  1438.75  502.444   21.478  526.596   8.9514 -24.15186 23.26886 
1 1 1   11    4    4 o  251.180   6.0228  9633.80  461.741 10929.39  951.141  9234.32  528.151  267.335   11.657  245.892   7.0371 21.44215 13.61609 
1 1 1   11    4    5 o  286.323   10.550 12532.68  921.980 12995.65  1609.10 12306.39  1124.95  290.506   18.240  283.601   12.996 6.905212 22.39618 
1 1 1   11    4    6 o  395.473   17.119 23977.26  2066.38 23844.88  2925.39 24109.08  2919.22  392.698   24.529  394.916   24.337 -2.217224 34.55397 
1 1 1   11    4    7 o  542.006   12.663 44946.46  2094.85 48163.32  3842.74 43586.21  2498.81  559.541   22.500  533.425   15.348 26.11639 27.23643 
1 1 1   11    4    8 o  112.448   4.1912  1930.24  143.849  1902.01  281.609  1940.21  167.326  111.263   8.3533  112.732   4.8629 -1.469337 9.665745 
1 1 1   11    4    9 o  132.016   3.4246  2660.28  137.990  2637.97  143.101  2955.97  521.000  131.461   3.5664  138.439   12.464 -6.978333 12.96381 
1 1 1   11    4   10 o  536.252   6.9498 43921.84  1137.53 44012.29  1569.44 43821.73  1651.06  536.606   9.5824  535.396   10.104 1.209473 13.92490 
1 1 1   11    4   11 o  172.131   3.7150  4522.84  195.179  4695.83  260.469  4301.33  294.749  175.377   4.8659  167.835   5.7538 7.542252 7.535473 
1 1 1   11    4   12 o  638.752   11.406 62413.64  2223.74 62413.64  2223.74   0.0000   0.0000  638.752   11.406  ?   ?  0.000000 11.40604 
1 1 1   11    4   13 o  308.526   8.1487 14545.22  767.357 14545.22  767.357   0.0000   0.0000  308.526   8.1487  ?   ?  0.000000 8.148697 
1 1 1   11    4   14 o  238.836   4.1859  8708.45  305.146  8290.63  385.521  9409.28  499.300  233.008   5.4208  248.196   6.5910 -15.18729 8.533796 
1 1 1   11    4   15 o  139.217   2.8187  2958.32  119.775  2823.76  187.700  3050.75  155.564  135.996   4.5219  141.367   3.6053 -5.371750 5.783242 
1 1 1   11    4   16 o  557.698   8.7509 47550.75  1489.60 46037.10  2580.15 48307.51  1824.36  547.723   15.434  561.880   10.638 -14.15631 18.74454 
1 1 1   11    4   17 o  360.930   7.0913 19905.98  781.210 19259.30  1159.56 20443.47  1057.13  354.731   10.710  365.588   9.4737 -10.85757 14.29853 
1 1 1   11    4   18 o  520.818   7.1059 41453.71  1129.59 41939.63  1597.29 40967.57  1597.66  523.505   9.9965  517.386   10.117 6.119690 14.22263 
1 1 1   11    4   19 o  288.237   4.6913 12687.41  412.721 12706.92  521.773 12654.81  674.578  288.401   5.9275  287.706   7.6819 0.6953430 9.702874 
1 1 1   11    4   20 o  282.555   10.420 12227.63  898.627 12177.90  1572.40 12251.75  1095.08  280.322   18.481  282.590   12.696 -2.267334 22.42206 
1 1 1   11    4   21 o  300.165   8.2223 13783.49  753.303 14145.63  1982.21 13722.36  814.405  301.173   21.709  299.435   8.9109 1.737885 23.46659 
1 1 1   11    4   22 o  392.824   6.5699 23589.02  787.729 23082.83  1172.25 24005.78  1063.68  388.175   9.8941  396.016   8.8000 -7.841064 13.24133 
1 1 1   11    4   23 o  342.302   6.4263 17912.34  671.409 17100.61  999.212 18580.52  906.566  334.076   9.7993  348.401   8.5252 -14.32462 12.98864 
1 1 1   11    4   24 o  319.390   5.1114 15585.89  498.289 15511.24  650.712 15691.71  774.791  318.493   6.6938  320.213   7.9273 -1.720123 10.37543 
1 1 1   11    4   25 o  250.211   4.5071  9563.32  344.206  9449.55  373.548 10203.35  885.995  248.696   4.9211  257.814   11.259 -9.118134 12.28766 
1 1 1   11    4   26 o  195.328   4.8877  5829.29  291.399  6325.58  506.310  5583.48  356.330  203.263   8.1609  191.103   6.1090 12.16008 10.19414 
1 1 1   11    4   27 o  459.319   7.4118 32286.22  1039.09 32125.97  1415.43 32473.54  1530.28  457.629   10.133  459.912   10.901 -2.282623 14.88372 
1 1 1   11    4   28 o  114.216   4.3555  1992.85  151.838  1977.71  177.643  2033.91  292.526  113.760   5.1161  114.928   8.3973 -1.168076 9.833066 
1 1 1   11    4   29 o  267.945   5.4480 10974.45  445.552 11695.83  1563.78 10910.71  464.819  273.579   18.842  267.145   5.7006 6.434296 19.68561 
1 1 1   11    4   30 o  130.752   2.8293  2610.25  112.914  2713.23  195.111  2558.40  138.455  133.249   4.7973  129.431   3.5047 3.818115 5.941148 
1 1 1   11    4   31 o  311.387   4.4570 14814.85  423.600 14718.48  615.448 14901.61  583.918  310.167   6.5010  312.134   6.1291 -1.966888 8.934652 
1 1 1   11    4   32 o  293.662   7.2926 13203.74  653.653 13375.54  704.889 12149.20  1746.40  295.495   7.8154  277.794   20.747 17.70108 22.16995 
1 1 1   11    4   33 o  158.622   3.8326  3843.42  185.556  4127.49  247.283  3477.35  280.717  164.329   4.9302  150.772   6.1000 13.55783 7.843274 
1 1 1   11    4   34 o   92.131   3.7998  1296.60  106.851  1265.68  137.602  1343.56  169.581   90.859   4.9808   93.531   5.9714 -2.671982 7.775969 
1 1 1   11    4   35 o  407.703   17.966 25909.12  2235.76   0.0000   0.0000 25909.12  2235.76  ?   ?   407.703   17.966 0.000000 17.96649 
1 1 1   11    4   36 o  324.850   7.2763 16161.86  721.457 16027.38  889.103 16421.10  1234.46  323.190   9.0132  326.349   12.393 -3.159027 15.32400 
1 1 1   11    4   37 o  106.938   3.5933  1746.75  117.286  1799.14  166.287  1694.88  165.452  108.485   5.0220  105.290   5.1484 3.195068 7.192048 
1 1 1   11    4   38 o  150.245   2.8464  3446.86  130.529  3676.36  183.428  3211.43  185.785  155.129   3.8740  144.976   4.1985 10.15353 5.712737 
1 1 1   11    4   39 o  184.315   4.1656  5190.76  234.342  5069.04  266.411  5607.01  492.668  182.106   4.7930  191.205   8.4418 -9.099747 9.707624 
1 1 1   11    4   40 o  396.381   7.6205 24077.58  921.961 24845.38  1374.32 23449.28  1243.21  401.686   11.209  390.470   10.431 11.21573 15.31225 
1 1 1   11    4   41 o  430.697   6.7093 28404.08  881.992 30224.20  1582.54 27583.99  1062.27  442.776   11.710  424.084   8.2066 18.69186 14.29931 
1 1 1   11    4   42 o  216.339   5.1638  7157.44  340.977  7495.27  641.967  7024.69  402.436  220.839   9.5240  214.231   6.1546 6.607819 11.33958 
1 1 1   11    4   43 o  524.180   7.1287 42107.00  1140.53 43777.60  1877.54 41130.00  1435.81  532.684   11.548  517.390   9.0921 15.29382 14.69757 
1 1 1   11    4   44 o  198.218   3.9684  6004.38  240.089  6733.88  485.890  5768.73  276.158  209.531   7.5975  194.239   4.6581 15.29251 8.911780 
1 1 1   11    4   45 o  360.297   4.7376 19852.60  521.000 21424.77  826.070 18814.15  671.365  373.771   7.2409  350.471   6.2761 23.29935 9.582300 
1 1 1   11    4   46 o   88.350   3.4972  1192.70   94.306  1170.73  152.715  1206.24  119.899   87.252   5.7670   88.817   4.4228 -1.565460 7.267715 
1 1 1   11    4   47 f  367.142   6.3180 20660.56  707.996 21811.05  1003.42 19519.92  999.113  376.485   8.7321  356.003   9.1948 20.48190 12.68045 
1 1 1   11    4   48 o  138.873   4.8079  2951.32  203.793  2919.96  229.698  3067.29  441.736  138.079   5.4502  140.503   10.374 -2.423752 11.71850 
1 1 1   11    4   49 o  132.246   3.3039  2672.85  133.361  2794.57  161.120  2408.03  237.654  135.185   3.9048  125.296   6.2143 9.889053 7.339288 
1 1 1   11    4   50 o  237.919   3.2777  8652.23  238.019  9678.66  368.755  7919.20  311.629  251.408   4.8055  227.461   4.4886 23.94778 6.575781 
1 1 1   11    4   51 o  130.457   3.9441  2603.99  157.049  2974.24  225.923  2257.77  218.466  139.278   5.3145  121.283   5.9015 17.99518 7.941771 
1 1 1   11    4   52 o  101.066   4.7083  1565.32  145.241  1897.34  402.713  1515.68  155.721  109.337   12.280   99.278   5.1568 10.05944 13.31848 
1 1 1   11    4   53 o  138.467   4.5256  2938.74  191.265  2956.21  234.202  2903.75  331.419  138.730   5.5310  136.796   7.9721 1.933884 9.702938 
1 1 1   11    4   54 o   59.804   7.4428  561.167  132.920  470.115  234.536  604.251  161.331   53.295   14.172   61.772   8.8060 -8.477005 16.68548 
1 1 1   11    4   55 o  145.974   8.6199  3326.33  382.354  3229.35  542.893  3421.79  538.592  142.010   12.658  146.470   12.157 -4.459457 17.55041 
1 1 1   11    5    0 o  143.140   5.2446  3140.15  228.435  3140.15  228.435  3140.15  228.435  143.140   5.2446  143.140   5.2446 0.000000 0.000000 
1 1 1   11    5    1 o  522.076   7.7362 41635.15  1232.76 45830.16  2075.52 39348.60  1532.33  547.342   12.424  507.387   9.8945 39.95547 15.88239 
1 1 1   11    5    2 o  344.097   5.9848 18079.79  628.564 17705.19  858.979 18511.60  922.235  340.427   8.2669  348.074   8.6807 -7.647186 11.98729 
1 1 1   11    5    3 o  382.986   7.1797 22403.02  839.279 20881.78  1246.98 23662.81  1134.78  369.549   11.055  393.490   9.4484 -23.94141 14.54277 
1 1 1   11    5    4 o  319.945   7.7685 15637.04  758.628 15466.83  1968.39 15666.74  822.141  316.649   20.476  320.222   8.4116 -3.572968 22.13656 
1 1 1   11    5    5 o  298.235   5.9386 13581.61  540.579 13417.50  804.077 13716.96  730.234  296.324   8.8903  299.649   7.9842 -3.325378 11.94924 
1 1 1   11    5    6 o  665.216   14.834 67774.91  3011.98 66672.23  3264.73 74080.40  7806.93  659.552   16.217  688.000   37.317 -28.44830 40.68825 
1 1 1   11    5    7 o  208.266   4.0938  6621.32  260.235  6482.17  356.226  6780.56  381.087  206.040   5.6645  210.723   5.9251 -4.683685 8.197111 
1 1 1   11    5    8 o  485.225   10.929 36004.31  1618.67 36041.83  2974.28 35988.53  1929.42  484.307   20.121  484.911   13.036 -0.6041260 23.97462 
1 1 1   11    5    9 o  410.356   7.7841 25725.66  974.952 24765.57  1318.31 26884.68  1448.45  402.434   10.733  419.251   11.319 -16.81696 15.59839 
1 1 1   11    5   10 o  417.173   6.7251 26581.16  856.316 25781.44  1049.30 28175.77  1481.69  410.758   8.3694  429.185   11.311 -18.42700 14.07061 
1 1 1   11    5   11 o  142.355   4.5348  3093.84  197.038  3005.11  210.724  3711.14  555.815  140.294   4.9211  155.292   11.815 -14.99837 12.79887 
1 1 1   11    5   12 o  572.843   14.431 50282.79  2523.14 50282.79  2523.14   0.0000   0.0000  572.843   14.431  ?   ?  0.000000 14.43075 
1 1 1   11    5   13 o  416.295   9.8348 26500.53  1249.63 26486.72  1351.36 26582.07  3282.94  416.116   10.640  413.660   26.136 2.455933 28.21885 
1 1 1   11    5   14 o  526.879   11.459 42486.93  1842.81 45430.53  3633.43 41467.52  2138.23  542.757   21.933  520.236   13.466 22.52142 25.73674 
1 1 1   11    5   15 o  314.596   5.8440 15116.25  561.149 15547.35  794.725 14687.61  792.449  318.929   8.1641  309.973   8.3759 8.956238 11.69647 
1 1 1   11    5   16 o   40.026   6.0490  250.237   71.595  174.598  522.810  251.682   72.276   52.102   21.117   40.138   6.0909 11.96432 21.97819 
1 1 1   11    5   17 o  543.877   10.035 45268.53  1665.85 45549.59  5411.71 45239.11  1750.87  537.281   33.162  543.620   10.552 -6.339294 34.80058 
1 1 1   11    5   18 o  250.042   5.1029  9548.89  389.444  9550.89  574.033  9547.19  530.100  249.953   7.5242  249.936   6.9488 0.1712036E-01 10.24207 
1 1 1   11    5   19 o  668.672   14.864 68729.43  3033.75 69783.71  3620.61 66244.70  5558.31  672.799   17.631  650.554   27.993 22.24493 33.08228 
1 1 1   11    5   20 o  312.913   6.4355 14964.86  614.640 15618.21  915.594 14428.91  829.267  319.405   9.3917  307.057   8.8483 12.34784 12.90331 
1 1 1   11    5   21 o  117.632   4.7547  2113.57  170.714  2090.56  541.919  2116.10  179.872  115.449   15.793  117.697   5.0070 -2.247726 16.56776 
1 1 1   11    5   22 o  306.605   6.3278 14370.14  592.172 14910.98  2032.80 14319.98  619.019  308.881   21.700  306.045   6.6268 2.835846 22.68895 
1 1 1   11    5   23 o  182.497   3.9657  5086.27  220.900  4856.62  340.889  5252.51  290.035  178.238   6.2661  185.413   5.1250 -7.174896 8.095007 
1 1 1   11    5   24 o  130.760   4.5750  2611.88  182.593  2553.33  206.976  2817.41  387.769  129.266   5.2459  135.269   9.4514 -6.002518 10.80962 
1 1 1   11    5   25 o  444.888   7.0827 30278.23  961.761 29770.55  1218.12 31118.56  1567.17  440.808   9.0537  450.162   11.406 -9.353333 14.56240 
1 1 1   11    5   26 o  107.594   3.6224  1767.86  118.961  1744.19  125.910  1964.80  363.106  106.867   3.8601  112.648   10.689 -5.781380 11.36439 
1 1 1   11    5   27 o  418.273   6.5056 26758.40  830.544 26507.03  1053.27 27171.68  1350.51  416.018   8.2949  420.747   10.516 -4.728882 13.39388 
1 1 1   11    5   28 o  100.807   4.3985  1552.45  135.334  1658.46  503.444  1544.20  140.506  102.210   16.716  100.534   4.5789 1.676125 17.33146 
1 1 1   11    5   29 o  439.295   7.4449 29542.74  998.231 30082.09  1470.76 29082.06  1359.25  442.505   10.889  435.257   10.231 7.248474 14.94197 
1 1 1   11    5   30 o  373.769   6.5357 21373.45  745.615 22347.84  1160.78 20689.01  972.855  381.565   9.9670  367.388   8.6757 14.17764 13.21398 
1 1 1   11    5   31 o  304.448   4.3127 14161.31  400.758 14332.81  581.792 14006.45  552.833  306.100   6.2271  302.622   5.9852 3.478088 8.637094 
1 1 1   11    5   32 o  225.232   3.3116  7747.22  227.657  7706.81  407.272  7765.58  274.557  224.473   5.9443  225.464   3.9897 -0.9910126 7.159099 
1 1 1   11    5   33 o  148.357   3.4535  3361.52  156.381  3358.10  166.309  3387.60  459.497  148.274   3.6748  148.144   10.225 0.1293793 10.86495 
1 1 1   11    5   34 o  279.571   5.8343 11954.77  497.845 11430.44  670.674 12598.25  742.986  273.096   8.0460  286.638   8.4924 -13.54208 11.69864 
1 1 1   11    5   35 f  192.543   6.2311  5672.41  366.192   0.0000   0.0000  5672.41  366.192  ?   ?   192.543   6.2311 0.000000 6.231091 
1 1 1   11    5   36 o  265.475   10.064 10829.25  815.451 11759.00  1383.58 10334.39  1009.40  274.567   16.588  258.800   12.779 15.76624 20.93893 
1 1 1   11    5   37 o  256.821   6.7177 10096.71  526.588 10566.62  1048.67  9938.28  608.927  261.267   13.193  254.657   7.8341 6.609497 15.34367 
1 1 1   11    5   38 o  105.857   3.2727  1711.38  105.740  1739.63  128.362  1651.75  186.511  106.709   3.9411  103.742   5.9147 2.967148 7.107470 
1 1 1   11    5   39 o  324.163   5.5339 16071.26  547.532 16235.35  661.188 15713.16  976.731  325.658   6.6519  319.750   10.008 5.907196 12.01698 
1 1 1   11    5   40 o  227.454   6.0772  7916.65  421.908  8241.61  868.769  7816.36  482.643  230.783   12.379  225.910   6.9996 4.872650 14.22055 
1 1 1   11    5   41 o   86.945   2.9568  1154.43   78.466  1104.93  130.502  1182.46   98.199   84.856   5.0617   87.979   3.6569 -3.123116 6.244495 
1 1 1   11    5   42 o  221.908   5.2243  7531.44  353.850  8235.54  860.614  7388.19  388.179  230.607   12.271  219.734   5.7879 10.87355 13.56760 
1 1 1   11    5   43 o  444.037   6.1130 30185.01  828.491 33877.71  1465.45 28450.31  1004.41  469.088   10.235  430.709   7.6403 38.37903 12.77243 
1 1 1   11    5   44 o  247.759   3.3041  9377.17  249.864 10068.80  385.040  8874.05  328.402  256.581   4.9166  240.923   4.4659 15.65776 6.642083 
1 1 1   11    5   45 o  161.931   2.7650  4004.69  136.661  4251.82  200.596  3790.63  186.688  166.790   3.9404  157.488   3.8838 9.301895 5.532637 
1 1 1   11    5   46 o  239.056   3.4737  8732.34  253.460  9126.41  330.226  8167.35  395.407  244.295   4.4287  230.961   5.6090 13.33385 7.146681 
1 1 1   11    5   47 o  278.702   5.3588 11892.52  455.856 13313.37  646.836 10490.48  642.542  294.500   7.1960  261.227   8.0587 33.27264 10.80397 
1 1 1   11    5   48 o  191.589   4.1197  5613.58  240.908  6152.59  360.365  5178.04  323.932  200.357   5.8928  183.821   5.7735 16.53581 8.249752 
1 1 1   11    5   49 o   57.077   4.1690  500.997   72.125  681.287  148.702  445.534   82.477   66.146   7.4978   53.697   5.0932 12.44885 9.064052 
1 1 1   11    5   50 o  120.243   4.7382  2214.12  173.896  2360.65  202.040  1795.31  341.569  124.102   5.3339  107.050   10.593 17.05188 11.85993 
1 1 1   11    5   51 o  192.404   4.0724  5665.79  239.155  6585.00  526.844  5427.21  268.401  206.478   8.3597  188.225   4.6719 18.25343 9.576595 
1 1 1   11    5   52 o  121.934   2.5914  2272.00   96.445  2460.27  139.455  2099.40  133.526  126.808   3.6031  117.128   3.7350 9.679565 5.189616 
1 1 1   11    5   53 o   99.483   4.5124  1517.17  137.015  1942.11  318.824  1420.91  151.742  111.330   9.4726   96.067   5.1943 15.26266 10.80331 
1 1 1   11    5   54 o  226.633   10.986  8072.03  759.971  8509.81  1082.79  7646.99  1066.92  228.936   15.588  216.394   16.273 12.54169 22.53441 
1 1 1   11    5   55 o   52.252   4.8373  422.844   76.273  574.001  230.058  404.177   80.846   58.896   13.133   51.005   5.2691 7.890907 14.15015 
1 1 1   11    6    0 o  517.674   31.511 41707.17  4936.66 41707.17  4936.66 41707.17  4936.66  517.674   31.511  517.674   31.511 0.000000 0.000000 
1 1 1   11    6    1 o  571.948   10.546 50014.88  1840.95 50338.23  2737.94 49748.06  2487.10  573.160   15.651  569.981   14.296 3.178955 21.19715 
1 1 1   11    6    2 o  358.066   8.1145 19588.01  886.837 19189.55  1029.07 20737.97  1748.23  354.333   9.5152  367.887   15.569 -13.55420 18.24660 
1 1 1   11    6    3 o  462.581   11.026 32722.64  1556.79 35129.05  4036.45 32302.14  1687.33  475.890   27.911  459.510   12.031 16.37964 30.39371 
1 1 1   11    6    4 o  377.191   13.150 21776.08  1513.91 20660.88  2616.03 22337.62  1856.34  365.488   23.576  381.763   15.931 -16.27463 28.45419 
1 1 1   11    6    5 o  357.721   6.5988 19543.40  720.482 19027.66  786.224 22246.16  1799.84  352.940   7.2984  381.016   15.477 -28.07623 17.11111 
1 1 1   11    6    6 o   84.294   5.8715  1090.29  150.120  993.279  179.888  1312.82  272.459   80.295   7.4240   92.150   9.8391 -11.85461 12.32576 
1 1 1   11    6    7 o  717.564   11.626 78768.71  2546.25 78025.40  3464.97 79641.33  3754.28  713.422   15.912  720.528   17.071 -7.105591 23.33718 
1 1 1   11    6    8 o  304.487   6.1773 14158.84  574.100 14158.69  777.309 14159.01  851.561  304.397   8.3664  304.362   9.1666 0.3546143E-01 12.41058 
1 1 1   11    6    9 o  221.624   4.9118  7499.24  332.260  7454.01  473.837  7542.98  466.032  220.902   7.0277  222.221   6.8709 -1.319016 9.828415 
1 1 1   11    6   10 o  365.749   12.688 20479.31  1416.46 20479.31  1416.46   0.0000   0.0000  365.749   12.688  ?   ?  0.000000 12.68832 
1 1 1   11    6   11 o  215.377   4.5763  7082.26  300.839  7218.88  411.382  6925.21  441.067  217.406   6.1995  212.921   6.7869 4.484650 9.192142 
1 1 1   11    6   12 o  366.875   16.143 20656.02  1807.69 20656.02  1807.69   0.0000   0.0000  366.875   16.143  ?   ?  0.000000 16.14321 
1 1 1   11    6   13 o  217.776   4.8407  7241.66  321.763  7241.66  321.763   0.0000   0.0000  217.776   4.8407  ?   ?  0.000000 4.840724 
1 1 1   11    6   14 o  108.622   2.9353  1801.01   97.316  1926.23  124.063  1600.73  156.898  112.329   3.6186  102.384   5.0207 9.944916 6.188844 
1 1 1   11    6   15 o   66.984   2.9690  684.899   60.701  693.551   88.634  677.257   83.302   67.257   4.3408   66.474   4.1261 0.7828598 5.988905 
1 1 1   11    6   16 f  319.789   6.2356 15624.03  608.635 15501.74  905.909 15724.65  821.716  318.318   9.3241  320.673   8.3954 -2.355377 12.54678 
1 1 1   11    6   17 f  647.590   17.598 64611.13  3478.32   0.0000   0.0000 64611.13  3478.32  ?   ?   647.590   17.598 0.000000 17.59756 
1 1 1   11    6   18 o  410.023   8.1247 25713.21  1016.80 24273.01  1438.79 27150.12  1437.15  397.885   11.847  420.912   11.186 -23.02673 16.29411 
1 1 1   11    6   19 o  529.098   10.268 42884.80  1658.15 40985.04  2345.67 44782.33  2344.30  516.172   14.889  539.739   14.230 -23.56689 20.59541 
1 1 1   11    6   20 o  193.646   3.8531  5726.02  227.738  5764.26  341.402  5695.37  305.691  194.223   5.7590  193.082   5.1871 1.140854 7.750634 
1 1 1   11    6   21 f  542.964   8.3851 45122.16  1389.62 42692.55  2489.89 46221.30  1674.70  526.304   15.500  549.204   9.9905 -22.89960 18.44052 
1 1 1   11    6   22 o  440.841   7.9097 29739.86  1064.29 27804.54  1655.21 31104.01  1389.66  425.330   12.750  450.450   10.108 -25.12015 16.27034 
1 1 1   11    6   23 o  341.432   4.7188 17809.02  491.765 17042.80  713.325 18503.03  678.875  333.802   7.0013  347.873   6.3937 -14.07108 9.481463 
1 1 1   11    6   24 o  248.134   4.7271  9406.43  358.015  9537.33  505.285  9274.46  507.341  249.726   6.6291  246.251   6.7500 3.474976 9.460843 
1 1 1   11    6   25 o  349.679   8.3943 18726.02  895.928 18613.96  972.086 19358.24  2309.03  348.519   9.1382  351.472   21.629 -2.953186 23.48018 
1 1 1   11    6   26 o  233.882   4.8436  8358.08  345.765  8526.62  492.464  8194.21  485.579  236.086   6.8342  231.436   6.8741 4.650879 9.693224 
1 1 1   11    6   27 o  272.880   6.3458 11388.57  528.533 11413.27  1124.27 11381.56  598.833  272.134   13.535  272.712   7.1942 -0.5779114 15.32850 
1 1 1   11    6   28 o  510.492   12.236 40103.58  1906.58 39883.04  4958.67 40141.84  2065.35  495.478   32.977  510.367   13.259 -14.88834 35.54254 
1 1 1   11    6   29 o  104.838   3.3136  1678.43  106.031  1756.49  166.325  1624.98  137.622  107.202   5.0832  103.131   4.3720 4.071228 6.704719 
1 1 1   11    6   30 o  489.727   6.7503 36701.62  1009.01 35614.89  1464.09 37684.71  1392.52  481.648   9.9591  495.661   9.2045 -14.01266 13.56122 
1 1 1   11    6   31 o  164.116   3.4517  4113.51  172.901  3927.51  245.890  4295.42  243.171  160.297   5.0257  167.650   4.7522 -7.353577 6.916723 
1 1 1   11    6   32 o   83.764   2.7570  1071.31   70.487  1059.98  104.757  1080.68   95.282   83.295   4.1205   84.113   3.7113 -0.8182068 5.545478 
1 1 1   11    6   33 o  293.247   4.2575 13139.23  381.074 13730.88  539.168 12548.67  538.673  299.613   5.8958  286.395   6.1623 13.21848 8.528478 
1 1 1   11    6   34 o  348.623   6.5647 18601.38  698.532 18237.90  986.432 18966.98  989.321  344.686   9.3762  351.542   9.2203 -6.855865 13.15013 
1 1 1   11    6   35 o  198.915   3.9963  6044.92  242.626  6451.17  341.490  5630.80  344.785  205.395   5.4472  191.859   5.8877 13.53596 8.021030 
1 1 1   11    6   36 o  157.571   4.9953  3795.59  240.243  3757.53  273.519  3924.08  502.570  156.738   5.7174  159.437   10.384 -2.698853 11.85398 
1 1 1   11    6   37 o  292.712   6.9638 13119.40  622.166 13050.18  718.471 13326.92  1244.04  291.773   8.0677  293.570   13.884 -1.797211 16.05751 
1 1 1   11    6   38 o  268.232   5.6010 11004.23  458.558 11151.21  656.628 10864.31  640.665  269.714   7.9763  266.235   7.8840 3.478699 11.21511 
1 1 1   11    6   39 o  497.821   8.6358 38024.11  1312.17 41449.55  1858.88 34622.10  1852.52  518.586   11.744  473.511   12.818 45.07553 17.38441 
1 1 1   11    6   40 f  357.323   7.7071 19571.80  840.562 21589.96  1776.28 18989.48  954.156  372.748   15.613  351.711   8.8883 21.03717 17.96551 
1 1 1   11    6   41 o   35.447   5.4620  196.675   57.197  352.007  132.030  160.789   63.462   47.026   9.5250   31.804   6.7465 15.22178 11.67222 
1 1 1   11    6   42 o  325.796   4.0631 16220.60  404.035 16562.74  573.129 15882.58  569.670  328.997   5.7075  322.158   5.7935 6.839172 8.132607 
1 1 1   11    6   43 o  131.677   2.8990  2648.06  116.515  2622.15  173.962  2669.14  156.909  130.972   4.3517  132.162   3.8898 -1.190048 5.836763 
1 1 1   11    6   44 o  207.104   3.5436  6553.47  223.999  6876.46  304.632  6173.26  330.513  212.052   4.7067  200.852   5.3913 11.19928 7.156763 
1 1 1   11    6   45 o  164.653   3.7044  4143.06  186.167  4148.17  285.748  4139.29  245.394  164.601   5.6876  164.494   4.8876 0.1069794 7.499202 
1 1 1   11    6   46 o  450.019   7.5813 31098.71  1041.33 31720.99  1599.03 30640.46  1372.19  452.640   11.574  445.630   10.088 7.010193 15.35369 
1 1 1   11    6   47 o   64.991   3.8696  648.032   76.414  651.550  369.271  647.874   78.104   63.308   18.164   64.976   3.9571 -1.668007 18.58961 
1 1 1   11    6   48 o  110.340   3.1995  1860.50  107.753  1887.66  193.252  1848.25  129.803  110.834   5.7322  109.942   3.8681 0.8911972 6.915272 
1 1 1   11    6   49 o   94.840   2.5386  1373.96   73.485  1482.25  125.891  1318.00   90.504   98.428   4.1904   92.863   3.1931 5.564430 5.268329 
1 1 1   11    6   50 o  213.068   3.8846  6945.12  252.627  7879.42  413.832  6390.12  318.954  226.569   5.9842  204.195   5.1176 22.37457 7.874049 
1 1 1   11    6   51 o   56.818   7.1213  504.800  120.786  530.899  127.601  279.844  374.622   58.248   7.3401   48.038   18.349 10.20994 19.76249 
1 1 1   11    6   52 o  153.602   3.6948  3610.82  173.223  3747.16  235.136  3449.00  256.160  156.303   4.9287  149.846   5.6008 6.456558 7.460623 
1 1 1   11    6   53 o   95.195   2.8464  1385.57   82.703  1574.41  155.652  1311.29   97.624  101.272   5.0356   92.566   3.4553 8.705528 6.107046 
1 1 1   11    6   54 o   59.660   4.8964  550.162   88.376  709.206  486.556  544.736   89.871   64.719   21.282   59.346   5.0083 5.373547 21.86297 
1 1 1   11    6   55 o  196.755   8.3476  6024.52  501.310  6374.94  859.364  5843.76  617.210  198.303   14.294  192.413   10.550 5.889755 17.76550 
1 1 1   11    7    0 o  366.917   23.052 20891.47  2558.31 20891.47  2558.31 20891.47  2558.31  366.917   23.052  366.917   23.052 0.000000 0.000000 
1 1 1   11    7    1 o  722.952   16.439 80151.00  3627.50 85115.85  9406.31 79283.62  3931.62  734.089   42.158  718.702   17.923 15.38708 45.80960 
1 1 1   11    7    2 f  726.132   14.706 80781.12  3259.41 79278.77  3713.27 85824.54  6803.53  718.896   16.923  743.914   29.964 -25.01868 34.41224 
1 1 1   11    7    3 o  579.635   12.689 51424.18  2244.97 51895.22  4416.57 51260.07  2606.86  579.858   24.954  578.410   14.766 1.448303 28.99581 
1 1 1   11    7    4 o  117.987   3.3749  2124.94  121.537  2078.13  180.178  2164.01  164.632  116.665   5.0599  119.057   4.5305 -2.391747 6.791757 
1 1 1   11    7    5 o  563.596   11.445 48594.54  1968.82 49875.79  3361.76 47925.67  2428.95  569.687   19.334  559.331   14.228 10.35590 24.00447 
1 1 1   11    7    6 o  359.143   6.5434 19700.52  717.275 19374.54  782.845 21405.54  1790.38  356.129   7.2020  373.636   15.699 -17.50766 17.27240 
1 1 1   11    7    7 o  626.022   11.560 59965.34  2208.85 59586.69  2312.45 63909.59  7463.36  623.958   12.142  636.851   38.577 -12.89276 40.44320 
1 1 1   11    7    8 o  441.516   12.699 29846.48  1711.34 29468.69  1977.24 30974.56  3416.65  438.461   14.774  446.985   25.145 -8.524567 29.16462 
1 1 1   11    7    9 o  349.336   15.644 18719.80  1668.03 18186.93  2378.71 19235.33  2339.68  342.594   22.880  352.602   21.847 -10.00818 31.63517 
1 1 1   11    7   10 o  370.199   9.3195 20954.81  1053.04 20853.28  1129.17 21632.46  2917.23  369.247   10.019  372.937   25.787 -3.690521 27.66455 
1 1 1   11    7   11 o  572.637   14.962 50301.83  2615.15 50301.83  2615.15   0.0000   0.0000  572.637   14.962  ?   ?  0.000000 14.96235 
1 1 1   11    7   12 o  467.529   9.0763 33425.64  1295.19 33425.64  1295.19   0.0000   0.0000  467.529   9.0763  ?   ?  0.000000 9.076250 
1 1 1   11    7   13 o  191.969   4.5225  5627.02  264.985  5627.02  264.985   0.0000   0.0000  191.969   4.5225  ?   ?  0.000000 4.522459 
1 1 1   11    7   14 o  348.538   8.4052 18575.61  894.161 18496.95  968.824 19027.75  2322.76  347.738   9.1280  350.127   21.844 -2.388397 23.67461 
1 1 1   11    7   15 o  289.583   18.940 12988.25  1664.83   0.0000   0.0000 12988.25  1664.83  ?   ?   289.583   18.940 0.000000 18.93998 
1 1 1   11    7   16 o  245.999   16.799  9361.17  1253.80   0.0000   0.0000  9361.17  1253.80  ?   ?   245.999   16.799 0.000000 16.79902 
1 1 1   11    7   17 o  147.201   13.069  3352.01  581.083   0.0000   0.0000  3352.01  581.083  ?   ?   147.201   13.069 0.000000 13.06925 
1 1 1   11    7   18 o  130.171   3.6742  2587.22  145.982  2584.18  209.081  2590.11  203.915  130.060   5.2669  130.213   5.1307 -0.1525726 7.352836 
1 1 1   11    7   19 o  370.018   7.3757 20939.56  833.002 20677.37  1178.72 21201.15  1177.37  367.287   10.514  371.932   10.371 -4.644745 14.76878 
1 1 1   11    7   20 o  410.193   7.5528 25739.78  945.609 25112.69  1470.26 26182.17  1234.90  404.447   11.910  413.367   9.7877 -8.920563 15.41591 
1 1 1   11    7   21 o   48.770   3.6675  365.258   54.194  388.193   77.548  343.364   75.767   50.144   5.1394   47.099   5.3662 3.044334 7.430345 
1 1 1   11    7   22 o  225.821   3.8034  7787.69  262.151  7863.79  341.599  7678.66  408.883  226.870   4.9331  224.125   5.9771 2.745529 7.749947 
1 1 1   11    7   23 o  271.888   4.4488 11292.30  369.187 11640.18  481.936 10798.20  574.359  275.959   5.7217  265.680   7.0829 10.27921 9.105223 
1 1 1   11    7   24 o  182.250   4.5761  5074.32  254.555  4932.75  268.062  6373.89  812.168  179.677   4.8879  203.070   13.175 -23.39369 14.05202 
1 1 1   11    7   25 f   82.468   3.1944  1038.45   80.407  1120.20   86.012  471.901  226.442   85.651   3.2901   54.297   13.672 31.35343 14.06228 
1 1 1   11    7   26 o  271.711   6.3149 11291.06  523.706 10794.63  641.976 12278.64  905.482  265.507   7.9218  282.811   10.490 -17.30389 13.14498 
1 1 1   11    7   27 o  138.949   3.1445  2948.05  133.357  2729.85  224.399  3067.20  165.816  133.632   5.5017  141.709   3.8336 -8.077942 6.705598 
1 1 1   11    7   28 o  387.503   7.1845 22984.54  849.740 23829.03  1262.95 22286.05  1148.60  393.888   10.505  381.064   9.8754 12.82483 14.41800 
1 1 1   11    7   29 o  240.314   4.1453  8822.55  304.058  8631.32  543.653  8909.59  366.788  237.417   7.5023  241.441   4.9772 -4.024811 9.003160 
1 1 1   11    7   30 o   93.641   2.9896  1338.94   85.447  1460.56  146.248  1275.91  105.286   97.631   4.9236   91.395   3.7743 6.236183 6.203805 
1 1 1   11    7   31 o   98.943   3.7668  1495.39  113.757  1743.20  362.278  1468.28  119.818  105.840   11.394   98.036   4.0042 7.803917 12.07701 
1 1 1   11    7   32 o  374.429   6.7953 21460.46  776.591 21456.19  1098.30 21464.74  1098.23  373.824   9.6258  373.899   9.6233 -0.7501221E-01 13.61115 
1 1 1   11    7   33 o  391.528   6.4031 23458.49  765.190 23296.30  1324.61 23539.72  937.424  389.092   11.154  391.939   7.8361 -2.846466 13.63118 
1 1 1   11    7   34 o   49.387   7.6571  382.430  111.686  387.673  120.978  352.176  290.597   49.629   8.2781   49.047   16.458 0.5813942 18.42224 
1 1 1   11    7   35 o  146.658   4.0691  3286.15  182.147  3189.04  249.220  3397.50  266.875  144.398   5.6546  149.031   5.8670 -4.632355 8.148380 
1 1 1   11    7   36 o  352.678   5.8506 19026.86  629.794 18864.86  782.906 19323.94  1060.18  350.942   7.3090  354.670   9.7935 -3.727692 12.22021 
1 1 1   11    7   37 o  153.102   4.1293  3581.53  192.965  3581.53  192.965   0.0000   0.0000  153.102   4.1293  ?   ?  0.000000 4.129324 
1 1 1   11    7   38 o  336.612   12.292 17479.03  1262.89 18160.83  1560.88 16186.77  2148.91  342.241   14.942  319.415   22.179 22.82648 26.74316 
1 1 1   11    7   39 o  156.631   3.9322  3748.35  187.988  3763.82  283.803  3736.25  250.932  156.840   5.9285  156.308   5.2597 0.5324860 7.925331 
1 1 1   11    7   40 o  228.934   5.7429  8018.77  401.290  8305.78  459.967  7104.19  821.084  232.915   6.4701  214.087   12.621 18.82761 14.18309 
1 1 1   11    7   41 o  183.501   4.7405  5148.14  265.509  5244.29  314.790  4911.14  494.236  185.142   5.5706  178.565   9.0983 6.576859 10.66822 
1 1 1   11    7   42 o  190.607   3.0334  5548.90  176.478  5866.20  291.647  5365.61  221.665  195.859   4.8786  187.386   3.8756 8.472931 6.230688 
1 1 1   11    7   43 o  250.884   3.7682  9618.18  288.548 10334.73  530.975  9317.89  343.733  259.700   6.6986  246.862   4.5619 12.83760 8.104491 
1 1 1   11    7   44 o  232.426   3.8027  8255.93  269.771  8501.19  365.571  7962.67  399.743  235.723   5.0811  228.055   5.7428 7.667603 7.667920 
1 1 1   11    7   45 o  197.046   4.0566  5935.68  243.973  5970.80  383.565  5911.82  316.177  197.379   6.3668  196.533   5.2708 0.8464355 8.265436 
1 1 1   11    7   46 o   78.444   5.3563  946.512  127.481  1347.99  343.866  882.542  137.262   92.367   12.520   75.657   5.9931 16.71006 13.88020 
1 1 1   11    7   47 o  181.854   4.1997  5058.08  233.108  5070.50  345.114  5047.65  316.118  181.840   6.2181  181.498   5.7064 0.3414459 8.439627 
1 1 1   11    7   48 o  272.947   3.8447 11392.70  320.301 12150.08  559.918 11024.30  390.507  281.339   6.5204  268.352   4.7677 12.98746 8.077564 
1 1 1   11    7   49 o  211.957   3.7788  6871.17  244.467  7513.06  303.734  5690.42  411.946  221.536   4.4919  192.374   7.0158 29.16209 8.330592 
1 1 1   11    7   50 o  175.892   3.7143  4732.73  199.408  5041.69  279.999  4414.76  284.057  181.358   5.0583  169.642   5.4860 11.71590 7.462049 
1 1 1   11    7   51 o  168.121   3.5371  4324.06  181.503  4488.58  267.054  4182.81  247.434  171.061   5.1148  165.165   4.9082 5.896027 7.088860 
1 1 1   11    7   52 o   91.572   3.4659  1283.09   96.870  1203.49  147.354  1343.67  128.552   88.343   5.4920   93.624   4.4986 -5.281235 7.099223 
1 1 1   11    7   53 o  127.618   7.5624  2528.83  293.258  2810.63  368.905  2045.02  483.378  134.074   9.0681  112.138   14.459 21.93529 17.06768 
1 1 1   11    7   54 o  159.535   4.3460  3904.05  211.621  4115.84  246.613  3312.55  412.140  163.684   4.9362  145.343   9.3399 18.34183 10.56405 
1 1 1   11    8    0 o  172.726   5.8771  4570.53  309.025  4570.53  309.025  4570.53  309.025  172.726   5.8771  172.726   5.8771 0.000000 0.000000 
1 1 1   11    8    1 o  760.406   17.556 88788.89  4074.52 93065.45 10561.57 88041.10  4416.41  763.997   45.498  756.764   19.120 7.233337 49.35217 
1 1 1   11    8    2 o  461.714   12.243 32632.28  1725.29   0.0000   0.0000 32632.28  1725.29  ?   ?   461.714   12.243 0.000000 12.24254 
1 1 1   11    8    3 o  263.921   5.9607 10637.77  480.166  9947.81  964.961 10864.83  553.566  254.910   12.402  266.693   6.8005 -11.78331 14.14447 
1 1 1   11    8    4 o   70.093   5.2558  754.427  111.623  596.421  132.619  1138.33  206.718   62.075   7.1289   85.941   7.9713 -23.86615 10.69407 
1 1 1   11    8    5 o  921.300   15.796 130221.20  4441.90 129200.60  6044.28 131419.70  6549.71  915.577   21.629  922.699   23.257 -7.122009 31.75961 
1 1 1   11    8    6 o  208.587   4.8712  6643.31  310.127  6668.04  353.457  6560.57  646.446  208.959   5.5419  207.102   10.227 1.856644 11.63167 
1 1 1   11    8    7 o  171.870   4.6207  4510.17  242.393  4498.68  261.230  4581.32  650.105  171.644   4.9863  172.520   12.429 -0.8761444 13.39218 
1 1 1   11    8    8 o  616.485   13.775 58256.59  2591.90 58009.36  2778.28 59915.97  7197.76  614.966   14.802  614.961   38.542 0.4943848E-02 41.28633 
1 1 1   11    8    9 o  355.164   7.3895 19276.20  801.050 19078.23  1084.36 19514.02  1188.50  353.135   10.060  357.068   10.905 -3.933594 14.83691 
1 1 1   11    8   10 o  508.033   10.818 39505.90  1677.44 39009.24  1949.42 40922.63  3292.43  504.553   12.658  514.964   20.947 -10.41147 24.47480 
1 1 1   11    8   11 o  110.291   4.2219  1857.28  142.123  1874.90  156.163  1772.31  342.954  110.808   4.6173  107.079   10.634 3.728584 11.59316 
1 1 1   11    8   12 o  241.482   5.2283  8906.27  385.354  8906.27  385.354   0.0000   0.0000  241.482   5.2283  ?   ?  0.000000 5.228258 
1 1 1   11    8   13 o  508.258   12.343 39604.98  1914.84 38634.67  2075.47 45155.50  4963.95  501.757   13.552  535.691   30.486 -33.93317 33.36221 
1 1 1   11    8   14 o  479.055   20.585 35501.10  3009.90 33692.61  4259.27 37305.14  4254.02  462.150   30.364  487.201   28.734 -25.05035 41.80469 
1 1 1   11    8   15 o  209.303   6.6066  6695.53  422.055   0.0000   0.0000  6695.53  422.055  ?   ?   209.303   6.6066 0.000000 6.606580 
1 1 1   11    8   16 o  540.295   14.789 44906.42  2438.92   0.0000   0.0000 44906.42  2438.92  ?   ?   540.295   14.789 0.000000 14.78933 
1 1 1   11    8   17 o  171.969   5.4001  4518.34  283.443  4636.21  732.314  4497.57  307.403  173.088   13.981  171.556   5.8706 1.532532 15.16348 
1 1 1   11    8   18 o  155.315   5.1233  3685.40  242.876  3730.55  641.354  3677.84  262.421  155.162   13.682  155.142   5.5418 0.2033997E-01 14.76217 
1 1 1   11    8   19 f   92.062   9.6183  1312.62  266.278  1239.43  403.601  1369.04  354.338   88.399   15.525   93.542   12.742 -5.142868 20.08450 
1 1 1   11    8   20 o  233.918   5.6714  8362.74  404.922  8564.13  439.284  7224.48  1044.36  236.692   6.0806  215.757   15.972 20.93489 17.09052 
1 1 1   11    8   21 o  297.246   4.9775 13499.83  451.595 13455.97  666.571 13537.03  613.970  296.557   7.3641  297.509   6.7613 -0.9515686 9.997265 
1 1 1   11    8   22 o  305.628   7.0087 14289.43  653.800 14290.43  760.748 14286.61  1278.76  305.508   8.1583  304.558   13.756 0.9507141 15.99359 
1 1 1   11    8   23 f  349.639   8.9971 18732.94  960.154 18223.69  1041.63 21611.35  2476.43  344.705   9.9003  371.198   21.955 -26.49261 24.08426 
1 1 1   11    8   24 o  471.001   9.1006 34003.09  1308.30 33720.38  1376.10 36662.08  4220.26  468.921   9.6146  478.889   29.009 -9.968475 30.56127 
1 1 1   11    8   25 f  247.041   4.5590  9324.28  343.759  9456.42  375.750  8645.89  851.375  248.760   4.9488  237.126   11.763 11.63354 12.76177 
1 1 1   11    8   26 o  238.507   6.3600  8701.18  462.993  8592.64  495.365  9451.16  1302.11  236.971   6.8488  246.165   17.443 -9.193573 18.73962 
1 1 1   11    8   27 o  372.384   9.9102 21284.12  1126.39 23215.37  2734.73 20889.54  1236.11  383.242   23.492  368.676   10.985 14.56598 25.93369 
1 1 1   11    8   28 o  251.207   6.4612  9654.86  495.408  9667.69  583.042  9621.53  939.564  251.252   7.6028  249.945   12.316 1.307022 14.47352 
1 1 1   11    8   29 o  394.842   6.1084 23847.63  736.150 23874.41  931.455 23803.08  1201.50  394.787   7.7300  393.704   9.9986 1.082947 12.63822 
1 1 1   11    8   30 o   84.224   3.7092  1083.53   95.352  1091.37  100.144  1007.45  311.962   84.524   3.8817   79.767   13.280 4.757607 13.83598 
1 1 1   11    8   31 o  263.390   5.6758 10609.75  456.291 10803.61  981.301 10556.28  515.398  264.784   12.142  262.646   6.4292 2.137878 13.73915 
1 1 1   11    8   32 o   74.214   3.1554  841.100   71.474  1138.00  467.342  833.989   72.325   83.786   18.743   73.899   3.2065 9.887161 19.01580 
1 1 1   11    8   33 o  190.590   3.6319  5548.50  211.279  5775.71  376.630  5444.16  255.219  194.274   6.3516  188.748   4.4301 5.525986 7.743934 
1 1 1   11    8   34 o  452.275   6.9459 31320.37  958.844 32153.93  1719.48 30944.20  1155.11  456.633   12.337  449.201   8.4249 7.431458 14.93936 
1 1 1   11    8   35 o  150.212   4.0016  3447.26  183.465  3414.49  269.499  3475.57  250.462  149.398   5.9101  150.756   5.4432 -1.357880 8.034751 
1 1 1   11    8   36 o  291.956   4.8761 13029.98  434.521 13404.41  549.532 12405.33  709.783  295.985   6.0828  284.445   8.1754 11.53986 10.19012 
1 1 1   11    8   37 o  224.967   4.0956  7732.97  281.225  7753.48  347.831  7694.25  477.885  225.195   5.0605  224.148   6.9851 1.047104 8.625554 
1 1 1   11    8   38 o   43.482   4.5828  292.189   59.905  393.359  130.247  265.045   67.465   49.890   8.8789   41.267   5.4926 8.622524 10.44044 
1 1 1   11    8   39 o  184.769   3.5020  5214.99  197.499  6117.81  330.991  4715.83  246.113  199.993   5.4223  175.645   4.5907 24.34868 7.104658 
1 1 1   11    8   40 o  326.507   6.8992 16331.47  687.560 16849.22  846.588 15328.22  1178.45  331.345   8.3710  315.031   12.256 16.31387 14.84177 
1 1 1   11    8   41 o  253.997   6.0518  9876.08  469.171 10183.61  538.782  8911.31  954.303  257.810   6.8469  239.571   13.100 18.23805 14.78174 
1 1 1   11    8   42 o   44.736   3.7988  308.012   51.380  265.096  165.391  312.596   54.055   41.140   12.255   45.052   3.9716 -3.911816 12.88235 
1 1 1   11    8   43 o  132.086   2.5851  2664.26  104.219  2519.95  173.911  2745.12  130.184  128.379   4.4383  134.053   3.1817 -5.674133 5.460939 
1 1 1   11    8   44 o  143.171   4.0790  3133.55  178.250  3498.12  428.361  3057.20  196.028  150.438   9.3757  141.387   4.5425 9.050873 10.41812 
1 1 1   11    8   45 o  135.562   3.1602  2807.64  130.756  2339.14  207.952  3113.99  168.157  123.595   5.5124  142.727   3.8600 -19.13138 6.729562 
1 1 1   11    8   46 o  301.769   5.5251 13948.88  508.903 14070.38  748.169 13844.25  694.247  302.440   8.1048  300.149   7.5781 2.291229 11.09574 
1 1 1   11    8   47 o  191.749   4.1347  5623.90  241.986  5991.11  332.446  5210.09  352.910  197.736   5.5083  184.287   6.2741 13.44879 8.348995 
1 1 1   11    8   48 f  136.887   2.7883  2862.92  116.496  3035.69  165.435  2692.98  164.075  140.884   3.8472  132.678   4.0516 8.206268 5.587190 
1 1 1   11    8   49 o   92.414   3.3240  1305.73   93.758  1620.62  417.410  1289.00   96.217  100.576   13.975   91.814   3.4334 8.762085 14.39042 
1 1 1   11    8   50 o   42.863   3.8395  283.388   49.699  366.753  118.896  265.739   54.707   48.030   8.4172   41.424   4.3940 6.605934 9.495067 
1 1 1   11    8   51 o  102.259   2.8359  1598.55   88.514  1796.94  165.857  1519.54  104.665  108.224   5.0210   99.660   3.4408 8.563744 6.086864 
1 1 1   11    8   52 o   67.569   2.7677  698.017   57.080  600.054  122.951  724.933   64.446   62.049   6.5930   68.845   3.0669 -6.796059 7.271415 
1 1 1   11    8   53 f  159.974   7.7773  3967.21  379.750  4221.35  474.160  3512.59  634.174  164.137   9.5053  147.262   14.289 16.87494 17.16171 
1 1 1   11    8   54 o   33.348   13.279  103.566  202.902   96.674  407.379  105.840  233.990   42.980   18.134   35.138   14.167 7.842072 23.01178 
1 1 1   11    9    0 o  539.699   23.038 44986.79  3779.29 44986.79  3779.29 44986.79  3779.29  539.699   23.038  539.699   23.038 0.000000 0.000000 
1 1 1   11    9    1 o  468.389   11.095 33578.31  1586.15 37780.20  4120.83 32847.50  1718.55  492.444   27.527  463.129   12.157 29.31473 30.09185 
1 1 1   11    9    2 o  361.124   15.685 20018.50  1728.83   0.0000   0.0000 20018.50  1728.83  ?   ?   361.124   15.685 0.000000 15.68477 
1 1 1   11    9    3 o  560.122   19.084 48299.85  3262.72 46829.04  5647.74 49036.61  3997.22  545.380   34.099  563.192   23.253 -17.81207 41.27311 
1 1 1   11    9    4 f  612.314   12.413 57434.84  2319.87 58586.03  2696.32 54153.96  4551.92  618.040   14.293  591.089   25.230 26.95105 28.99788 
1 1 1   11    9    5 o  337.304   5.4163 17375.97  557.619 17355.81  707.695 17408.99  905.582  337.032   6.8795  337.422   8.7930 -0.3893433 11.16445 
1 1 1   11    9    6 o  141.690   3.7445  3064.95  161.940  3154.34  223.986  2967.05  234.404  143.719   5.1061  139.380   5.5100 4.339676 7.512124 
1 1 1   11    9    7 o  803.950   16.214 99328.01  3978.62 98729.76  4532.96 101335.00  8302.67  800.667   18.549  802.697   33.888 -2.029663 38.63247 
1 1 1   11    9    8 o  268.034   5.3854 10972.77  440.582 11353.00  602.446 10535.59  645.986  272.551   7.2419  262.510   8.0623 10.04044 10.83726 
1 1 1   11    9    9 o  283.529   5.1401 12277.58  444.825 12187.89  583.646 12401.87  687.091  282.413   6.7709  284.813   7.9038 -2.400177 10.40750 
1 1 1   11    9   10 o  341.329   15.281 17905.15  1592.00 17905.15  1592.00   0.0000   0.0000  341.329   15.281  ?   ?  0.000000 15.28103 
1 1 1   11    9   11 o  214.398   8.4557  7030.94  553.334  7389.13  699.181  6430.60  905.183  219.662   10.428  204.068   14.630 15.59427 17.96606 
1 1 1   11    9   12 o  151.068   8.4819  3502.12  389.511  3822.34  591.531  3256.99  517.554  157.374   12.416  145.282   11.773 12.09175 17.10983 
1 1 1   11    9   13 f  272.965   12.656 11435.08  1054.41 11313.85  1499.96 11553.50  1482.52  270.092   18.303  273.049   17.887 -2.956360 25.59222 
1 1 1   11    9   14 o  116.556   4.8427  2075.09  172.282   0.0000   0.0000  2075.09  172.282  ?   ?   116.556   4.8427 0.000000 4.842701 
1 1 1   11    9   15 o   57.027   4.7071  500.111   81.199   0.0000   0.0000  500.111   81.199  ?   ?    57.027   4.7071 0.000000 4.707122 
1 1 1   11    9   16 f  387.512   24.359 23563.74  2866.50   0.0000   0.0000 23563.74  2866.50  ?   ?   387.512   24.359 0.000000 24.35938 
1 1 1   11    9   17 f  340.775   8.8870 17783.07  924.355 18456.60  2237.35 17644.45  1015.03  343.730   21.432  339.319   9.8007 4.410828 23.56685 
1 1 1   11    9   18 o  264.635   4.5306 10697.53  365.945 10837.73  449.743 10422.85  629.509  266.302   5.5331  260.968   7.9031 5.334503 9.647526 
1 1 1   11    9   19 o  212.359   3.8583  6887.03  250.083  7048.84  308.337  6575.95  427.531  214.803   4.7029  207.358   6.7551 7.444641 8.230952 
1 1 1   11    9   20 o  360.491   5.8154 19864.96  639.867 20329.74  784.893 18944.00  1104.86  364.543   7.0542  351.421   10.301 13.12213 12.48450 
1 1 1   11    9   21 o  163.422   4.0077  4079.02  199.902  4070.11  209.932  4165.63  654.562  163.236   4.2135  163.984   13.189 -0.7481689 13.84594 
1 1 1   11    9   22 o   56.530   4.4454  491.209   76.084  494.024   79.543  460.933  260.853   56.675   4.6389   53.913   15.198 2.762711 15.89008 
1 1 1   11    9   23 o  117.227   3.8702  2098.90  138.475  2098.90  138.475   0.0000   0.0000  117.227   3.8702  ?   ?  0.000000 3.870150 
1 1 1   11    9   24 o  311.990   5.1432 14876.69  489.773 14272.35  598.174 16105.90  853.102  305.463   6.4158  324.194   8.6214 -18.73102 10.74670 
1 1 1   11    9   25 f   41.057   4.9840  261.403   61.177  324.424  125.829  241.895   70.008   45.158   9.4333   39.321   6.0253 5.837311 11.19338 
1 1 1   11    9   26 o  336.279   6.0249 17295.01  618.393 17815.27  1574.67 17200.14  672.415  339.349   15.203  335.287   6.5706 4.061401 16.56201 
1 1 1   11    9   27 o  136.145   4.8665  2832.83  202.227  3384.52  751.318  2789.74  209.976  146.673   17.104  135.096   5.0922 11.57689 17.84563 
1 1 1   11    9   28 o  179.346   3.5592  4912.65  194.831  5063.18  355.718  4848.15  232.866  181.910   6.4067  178.132   4.2830 3.777344 7.706457 
1 1 1   11    9   29 o  373.971   4.9595 21377.45  566.101 21716.25  821.876 21071.60  780.873  376.599   7.1501  371.010   6.8957 5.588959 9.933467 
1 1 1   11    9   30 o  107.245   2.8350  1756.20   92.801  1869.44  124.420  1614.22  139.319  110.628   3.6847  102.779   4.4411 7.849487 5.770679 
1 1 1   11    9   31 o  138.000   3.0615  2908.17  128.952  2621.77  606.659  2921.73  131.967  129.094   15.721  138.319   3.1258 -9.225906 16.02893 
1 1 1   11    9   32 o  303.064   7.4807 14070.64  691.981 13987.46  1840.46 14084.33  746.774  297.915   20.362  303.116   8.0717 -5.201813 21.90377 
1 1 1   11    9   33 o  352.319   4.9859 18975.96  536.168 18678.48  1073.36 19074.87  618.916  348.624   10.087  353.137   5.7421 -4.513428 11.60708 
1 1 1   11    9   34 o  210.443   3.7600  6765.26  241.513  6645.33  302.528  6975.98  401.027  208.509   4.7536  213.520   6.1534 -5.011169 7.775714 
1 1 1   11    9   35 o  185.852   3.3471  5275.49  189.868  5769.87  243.032  4501.13  304.166  194.327   4.0975  171.535   5.8095 22.79211 7.109134 
1 1 1   11    9   36 o  302.958   7.2020 14059.33  665.970 14012.48  777.144 14188.83  1292.12  302.247   8.4241  302.801   13.981 -0.5541992 16.32257 
1 1 1   11    9   37 o  156.233   4.5281  3730.67  215.927  3947.70  258.746  3232.84  391.888  160.669   5.2762  144.853   8.9069 15.81633 10.35241 
1 1 1   11    9   38 o  154.123   3.9979  3629.57  188.071  3613.88  289.581  3641.02  247.333  153.660   6.1744  154.298   5.2518 -0.6379547 8.105798 
1 1 1   11    9   39 o  337.922   7.6907 17509.36  793.231 20096.37  2282.85 17154.12  845.942  356.036   21.101  334.349   8.2894 21.68738 22.67099 
1 1 1   11    9   40 o  275.604   4.6407 11613.02  390.382 11992.51  463.189 10682.41  725.343  279.979   5.4202  263.671   9.0129 16.30829 10.51718 
1 1 1   11    9   41 o  280.852   4.7597 12061.95  408.011 13510.35  713.427 11357.96  497.380  296.717   7.8775  272.374   5.9828 24.34344 9.891877 
1 1 1   11    9   42 o  145.087   3.3996  3216.02  150.547  3663.51  259.989  2990.29  184.654  154.715   5.5056  139.855   4.3258 14.85968 7.001730 
1 1 1   11    9   43 o  234.766   5.6506  8438.48  404.898  8668.55  496.644  7982.47  699.202  237.766   6.8435  227.537   10.068 10.22913 12.17349 
1 1 1   11    9   44 o  189.467   5.8165  5498.70  336.364   0.0000   0.0000  5498.70  336.364  ?   ?   189.467   5.8165 0.000000 5.816465 
1 1 1   11    9   45 o  331.700   6.8961 16885.96  698.182 18218.10  1035.36 15775.04  945.501  343.523   9.8746  319.729   9.6886 23.79376 13.83393 
1 1 1   11    9   46 o  117.739   3.5407  2119.01  127.242  2042.40  159.156  2254.72  211.825  115.532   4.5134  121.291   5.7218 -5.759392 7.287610 
1 1 1   11    9   47 o  175.090   3.2372  4685.57  173.001  4919.47  282.853  4545.78  218.673  179.198   5.1714  172.374   4.1563 6.823807 6.634624 
1 1 1   11    9   48 o  123.761   3.3286  2341.67  125.738  2338.43  190.362  2344.17  167.471  123.534   5.0487  123.743   4.4341 -0.2090530 6.719391 
1 1 1   11    9   49 o   94.582   2.8976  1367.29   83.649  1486.43  177.857  1333.45   94.786   98.200   5.9621   93.382   3.3256 4.817947 6.826892 
1 1 1   11    9   50 o  162.122   3.2551  4019.83  161.072  4536.59  291.500  3792.71  193.255  171.875   5.5566  157.387   4.0230 14.48814 6.860031 
1 1 1   11    9   51 o  103.047   2.8336  1623.48   89.123  1690.93  175.676  1600.11  103.419  104.757   5.5137  102.268   3.3132 2.489105 6.432610 
1 1 1   11    9   52 o  160.721   4.8239  3965.35  236.640  4975.71  659.763  3816.19  253.507  176.833   12.300  157.580   5.2708 19.25352 13.38210 
1 1 1   11    9   53 o   52.072   5.1136  420.726   80.224  852.198  458.011  407.069   81.484   69.773   20.290   51.181   5.2926 18.59248 20.96874 
1 1 1   11   10    0 o  230.971   10.576  8206.13  742.025  8206.13  742.025  8206.13  742.025  230.971   10.576  230.971   10.576 0.000000 0.000000 
1 1 1   11   10    1 o  546.862   13.189 45866.73  2201.38 49651.57  5705.60 45204.76  2386.14  560.561   33.501  542.642   14.407 17.91907 36.46708 
1 1 1   11   10    2 o  521.594   10.042 41640.09  1598.74   0.0000   0.0000 41640.09  1598.74  ?   ?   521.594   10.042 0.000000 10.04217 
1 1 1   11   10    3 o  359.142   8.7378 19728.03  957.822 19343.26  1142.10 20640.21  1758.53  355.444   10.527  366.442   15.723 -10.99789 18.92159 
1 1 1   11   10    4 o  338.345   6.1025 17489.78  630.206 17919.18  891.965 17061.76  890.528  342.293   8.5375  333.986   8.7358 8.306549 12.21490 
1 1 1   11   10    5 o  316.478   7.2369 15309.55  699.059 15203.86  811.593 15613.35  1376.03  315.295   8.4334  318.895   14.137 -3.599426 16.46154 
1 1 1   11   10    6 o  347.236   7.4336 18432.35  787.849 18450.25  897.940 18372.46  1642.15  347.315   8.4704  345.670   15.564 1.645294 17.72009 
1 1 1   11   10    7 o  263.623   4.3765 10612.53  352.151 10468.42  439.501 10870.96  588.558  261.780   5.5006  266.672   7.2309 -4.891693 9.085299 
1 1 1   11   10    8 o  364.590   5.7357 20308.07  638.277 20159.35  810.091 20551.55  1036.51  363.129   7.3090  366.448   9.2671 -3.318817 11.80256 
1 1 1   11   10    9 o  199.641   4.2633  6086.35  259.786  6037.60  286.448  6312.30  616.638  198.826   4.7202  203.031   9.9506 -4.205673 11.01339 
1 1 1   11   10   10 o  295.656   7.9430 13370.23  716.784 13370.23  716.784   0.0000   0.0000  295.656   7.9430  ?   ?  0.000000 7.942992 
1 1 1   11   10   11 o  160.161   5.7005  3919.47  278.666  3919.47  278.666   0.0000   0.0000  160.161   5.7005  ?   ?  0.000000 5.700459 
1 1 1   11   10   12 o  237.911   11.399  8681.85  827.754  8872.59  1184.42  8499.75  1157.30  239.343   16.310  234.242   16.288 5.101028 23.05068 
1 1 1   11   10   13 o  355.026   9.2420 19302.42  1001.48 20656.70  2421.49 19022.97  1099.96  363.752   21.912  352.309   10.229 11.44299 24.18244 
1 1 1   11   10   14 o  244.285   7.3809  9128.15  550.326   0.0000   0.0000  9128.15  550.326  ?   ?   244.285   7.3809 0.000000 7.380867 
1 1 1   11   10   15 o  244.912   16.662  9307.33  1238.12   0.0000   0.0000  9307.33  1238.12  ?   ?   244.912   16.662 0.000000 16.66194 
1 1 1   11   10   16 o  326.445   5.4353 16285.31  541.562 16093.58  664.419 16664.83  934.802  324.403   6.7103  329.800   9.2865 -5.396545 11.45718 
1 1 1   11   10   17 o  182.063   4.1745  5062.79  231.977  5055.78  243.616  5131.01  759.575  181.929   4.3872  182.040   13.772 -0.1109161 14.45434 
1 1 1   11   10   18 o  298.402   5.8827 13612.01  535.794 13598.04  563.194 13745.24  1738.94  298.222   6.1873  296.836   19.298 1.385956 20.26583 
1 1 1   11   10   19 o  441.275   7.8609 29809.34  1058.76 30108.16  1113.57 26995.71  3416.98  443.416   8.2279  412.125   27.319 31.29034 28.53119 
1 1 1   11   10   20 f  248.165   4.8151  9409.98  364.725  9450.97  521.400  9370.70  510.374  248.550   6.8729  247.503   6.7560 1.047577 9.637464 
1 1 1   11   10   21 o  185.703   4.0372  5267.50  228.834  5448.18  331.940  5103.85  315.896  188.776   5.7610  182.719   5.6643 6.057327 8.079138 
1 1 1   11   10   22 o  113.688   3.7250  1974.01  129.258  1947.99  136.444  2201.66  403.604  112.931   3.9585  119.180   11.228 -6.249184 11.90491 
1 1 1   11   10   23 o  297.840   5.8634 13564.45  533.027 13560.09  560.608 13605.51  1720.55  297.761   6.1684  294.911   19.219 2.850006 20.18501 
1 1 1   11   10   24 f  303.175   4.7034 14045.52  435.231 14344.97  553.531 13560.57  704.408  306.274   5.9213  297.564   7.7558 8.710205 9.757778 
1 1 1   11   10   25 o  354.791   5.5777 19246.45  604.009 19413.45  767.174 18974.13  979.662  356.126   7.0579  351.718   9.1257 4.407837 11.53651 
1 1 1   11   10   26 o  196.946   5.8926  5932.27  354.219  5997.23  393.174  5652.29  816.203  197.974   6.5067  190.764   14.118 7.210495 15.54547 
1 1 1   11   10   27 f  446.618   10.262 30646.85  1398.95 31967.52  3690.53 30425.24  1511.77  446.475   27.211  444.735   11.137 1.740845 29.40232 
1 1 1   11   10   28 o  369.790   5.4584 20909.77  616.085 20445.87  1037.83 21162.20  765.570  364.983   9.3162  371.824   6.7457 -6.841064 11.50200 
1 1 1   11   10   29 o  147.913   3.0555  3340.98  137.947  3440.12  182.155  3207.66  211.232  150.059   3.9770  144.867   4.7772 5.192703 6.215991 
1 1 1   11   10   30 o  203.085   4.5084  6302.93  279.460  6216.61  405.794  6380.81  385.425  201.530   6.5970  204.211   6.1836 -2.680862 9.042035 
1 1 1   11   10   31 o  158.831   9.7887  3889.85  472.233  4047.05  694.103  3754.39  644.346  161.114   14.262  155.255   13.739 5.859268 19.80345 
1 1 1   11   10   32 o  213.726   5.3771  6985.15  350.774  6717.23  1003.16  7022.47  374.409  207.384   15.971  214.268   5.7250 -6.884125 16.96618 
1 1 1   11   10   33 o   67.028   5.2129  691.080  105.809  605.943  124.302  915.060  201.616   62.571   6.6086   76.737   8.7653 -14.16599 10.97744 
1 1 1   11   10   34 o  147.702   2.9012  3331.32  130.791  3290.80  186.685  3370.39  183.293  146.754   4.1678  148.523   4.0433 -1.769318 5.806748 
1 1 1   11   10   35 o  136.418   3.4639  2842.53  144.228  2912.72  162.156  2576.73  315.557  138.078   3.8476  129.393   8.0297 8.685349 8.903983 
1 1 1   11   10   36 o  285.896   5.2472 12499.46  457.883 12616.42  683.848 12404.42  616.471  286.874   7.8100  284.566   7.0976 2.308594 10.55331 
1 1 1   11   10   37 o  134.526   4.4184  2765.99  181.422  2570.75  233.151  3065.63  288.841  129.615   5.8934  141.488   6.6884 -11.87245 8.914407 
1 1 1   11   10   38 f  275.874   4.7045 11635.37  396.130 12313.23  713.286 11333.06  476.341  283.275   8.2497  272.149   5.7345 11.12567 10.04699 
1 1 1   11   10   39 o  217.182   3.8465  7207.36  254.980  7753.26  462.181  6968.51  305.713  224.967   6.7309  213.488   4.6916 11.47958 8.204692 
1 1 1   11   10   40 o  298.884   5.0198 13663.67  457.937 13494.96  598.587 13901.75  711.089  296.789   6.6079  301.012   7.7397 -4.222961 10.17677 
1 1 1   11   10   41 o  157.581   4.0376  3795.49  194.197  4024.68  595.554  3768.22  205.425  160.815   12.225  156.999   4.2869 3.816223 12.95461 
1 1 1   11   10   42 o  128.933   3.6650  2540.42  144.231  2567.46  170.092  2471.22  272.104  129.584   4.3005  126.737   7.0622 2.846733 8.268562 
1 1 1   11   10   43 o  201.197   20.322  6511.22  1230.89   0.0000   0.0000  6511.22  1230.89  ?   ?   201.197   20.322 0.000000 20.32228 
1 1 1   11   10   44 o  111.397   4.4943  1898.30  152.809   0.0000   0.0000  1898.30  152.809  ?   ?   111.397   4.4943 0.000000 4.494256 
1 1 1   11   10   45 o  152.607   4.1207  3561.92  191.938   0.0000   0.0000  3561.92  191.938  ?   ?   152.607   4.1207 0.000000 4.120687 
1 1 1   11   10   46 o  359.494   5.0241 19793.32  551.270 20223.73  801.763 19407.39  759.204  362.686   7.2427  355.378   6.9993 7.308868 10.07202 
1 1 1   11   10   47 o  114.414   2.5818  1999.85   90.162  2202.67  150.676  1886.73  112.531  119.979   4.1146  111.093   3.3187 8.886063 5.286166 
1 1 1   11   10   48 o  198.374   4.1055  6023.46  248.580  6470.17  382.376  5696.50  327.142  205.231   6.1042  192.677   5.5628 12.55418 8.258691 
1 1 1   11   10   49 o  287.783   6.1607 12734.49  541.145 14986.72  1005.35 11815.78  642.098  309.912   10.628  276.666   7.6037 33.24548 13.06818 
1 1 1   11   10   50 o  138.948   2.9756  2952.19  126.196  3417.86  224.784  2737.88  152.496  149.248   4.9345  133.733   3.7359 15.51492 6.189197 
1 1 1   11   10   51 o  124.359   3.4056  2366.92  129.268   0.0000   0.0000  2366.92  129.268  ?   ?   124.359   3.4056 0.000000 3.405628 
1 1 1   11   10   52 o   71.745   4.2010  791.976   91.592  1258.44  470.211  773.579   93.381   85.522   18.547   70.884   4.3370 14.63778 19.04779 
1 1 1   11   11    0 o  204.276   14.557  6488.71  897.016  6488.71  897.016  6488.71  897.016  204.276   14.557  204.276   14.557 0.000000 0.000000 
1 1 1   11   11    1 o  262.963   6.4042 10568.05  514.017 10066.54  1335.32 10655.29  556.933  254.949   17.262  264.015   6.9112 -9.066528 18.59380 
1 1 1   11   11    2 f  301.499   5.6338 13887.98  518.447 14316.23  733.595 13460.67  732.796  305.952   7.8557  296.650   8.0932 9.302460 11.27887 
1 1 1   11   11    3 o  364.709   6.9472 20333.82  773.342 20898.27  1150.69 19868.86  1044.37  369.372   10.206  360.249   9.4980 9.123718 13.94221 
1 1 1   11   11    4 o  316.097   5.2117 15263.34  502.829 15592.98  872.484 15099.41  615.289  319.190   8.9555  314.316   6.4135 4.873199 11.01520 
1 1 1   11   11    5 o  412.005   14.312 26098.95  1799.83 27531.61  2205.67 23244.03  3113.62  422.492   17.104  384.449   26.700 38.04312 31.70886 
1 1 1   11   11    6 o  316.697   7.2670 15336.65  702.446 16942.71  1387.96 14783.63  814.454  332.033   13.696  310.814   8.5852 21.21979 16.16392 
1 1 1   11   11    7 o  284.359   5.2660 12353.28  457.054 12940.88  625.910 11682.01  668.983  290.922   7.0489  276.340   7.9315 14.58188 10.61107 
1 1 1   11   11    8 o  133.259   2.8337  2710.91  115.257  2872.57  198.839  2629.11  141.442  137.135   4.7504  131.221   3.5315 5.913879 5.919306 
1 1 1   11   11    9 o  451.354   11.187 31247.86  1541.13 31385.76  1696.82 30598.15  3683.07  452.111   12.296  440.264   27.547 11.84750 30.16658 
1 1 1   11   11   10 o  348.694   9.9092 18631.82  1054.63 18631.82  1054.63   0.0000   0.0000  348.694   9.9092  ?   ?  0.000000 9.909184 
1 1 1   11   11   11 o   61.694   3.3876  582.903   63.545  578.078  101.244  586.038   81.625   61.263   5.4720   61.790   4.3559 -0.5263519 6.994061 
1 1 1   11   11   12 o  243.011   11.378  9064.32  843.942  9634.55  1211.57  8526.85  1176.24  249.346   16.004  234.387   16.548 14.95824 23.02096 
1 1 1   11   11   13 o  118.956   4.8302  2161.83  175.376   0.0000   0.0000  2161.83  175.376  ?   ?   118.956   4.8302 0.000000 4.830221 
1 1 1   11   11   14 o  102.330   3.3339  1598.91  104.130  1463.79  175.740  1672.02  129.264   97.677   5.9227  104.631   4.0476 -6.953545 7.173652 
1 1 1   11   11   15 o  423.978   5.5509 27473.91  718.328 28120.89  912.134 26417.45  1165.58  428.757   6.9700  415.207   9.1973 13.54974 11.53996 
1 1 1   11   11   16 o  376.121   9.0837 21677.96  1042.81 21509.31  1130.40 22641.43  2701.88  374.514   9.8889  379.365   23.449 -4.850800 25.44899 
1 1 1   11   11   17 o  182.385   5.2474  5083.65  292.113  4906.94  591.544  5140.63  335.930  178.444   10.913  183.365   6.0023 -4.921112 12.45514 
1 1 1   11   11   18 o  384.057   17.034 22852.54  1996.75 22852.54  1996.75   0.0000   0.0000  384.057   17.034  ?   ?  0.000000 17.03381 
1 1 1   11   11   19 o  354.290   9.3738 19246.74  1013.65 19246.74  1013.65   0.0000   0.0000  354.290   9.3738  ?   ?  0.000000 9.373762 
1 1 1   11   11   20 o  261.529   5.2838 10454.38  421.779 10566.43  574.601 10323.46  621.078  262.756   7.1647  259.645   7.8370 3.110931 10.61842 
1 1 1   11   11   21 o  229.289   6.0881  8040.30  426.070  8040.67  462.917  8038.21  1089.78  229.251   6.6157  227.361   15.802 1.889450 17.13094 
1 1 1   11   11   22 o  174.169   8.5990  4649.58  457.129  4334.66  585.712  5140.36  731.177  167.492   11.527  182.125   13.244 -14.63304 17.55788 
1 1 1   11   11   23 o   65.186   5.9011  655.133  116.136  645.740  131.788  687.778  245.692   64.606   6.7846   65.723   12.707 -1.117447 14.40514 
1 1 1   11   11   24 o   94.464   3.1116  1362.63   89.716  1356.33  120.545  1370.46  134.324   94.222   4.1916   94.700   4.6472 -0.4777985 6.258264 
1 1 1   11   11   25 o  161.495   3.9979  3984.30  197.064  4475.78  292.333  3574.93  266.797  171.083   5.5983  152.893   5.7171 18.18985 8.001634 
1 1 1   11   11   26 o  192.435   5.8196  5663.92  341.816  5749.82  377.245  5269.98  807.885  193.845   6.3760  184.016   14.501 9.829605 15.84127 
1 1 1   11   11   27 o  275.336   6.8027 11605.35  571.695 11734.77  620.498 10878.38  1470.66  276.797   7.3445  263.414   18.408 13.38235 19.81863 
1 1 1   11   11   28 o  209.506   4.1617  6706.41  266.125  6840.82  293.505  6085.18  631.008  211.571   4.5451  198.679   10.442 12.89154 11.38847 
1 1 1   11   11   29 o  155.810   3.7721  3708.55  179.389  3918.88  274.039  3550.83  237.298  160.072   5.6089  152.399   5.1015 7.673538 7.581875 
1 1 1   11   11   30 o  271.824   5.5426 11300.35  459.851 10810.31  685.685 11700.91  619.931  265.487   8.4618  276.375   7.3490 -10.88846 11.20759 
1 1 1   11   11   31 o  349.500   6.3601 18694.50  678.470 18745.40  965.630 18644.87  953.488  349.467   9.0529  348.549   8.9626 0.9185791 12.73904 
1 1 1   11   11   32 o  123.694   2.5047  2336.03   94.564  2352.32  143.872  2323.65  125.475  124.089   3.7986  123.345   3.3329 0.7439880 5.053468 
1 1 1   11   11   33 o  236.684   4.6584  8562.51  336.527  8593.59  372.141  8423.05  788.312  237.073   5.1429  233.910   11.042 3.162628 12.18056 
1 1 1   11   11   34 o   53.492   3.6335  439.120   58.973  465.292  112.208  429.131   69.319   54.696   6.8730   52.814   4.3385 1.882710 8.127787 
1 1 1   11   11   35 o   89.073   4.0833  1212.33  111.012  1007.81  397.440  1229.64  115.614   78.959   16.994   89.702   4.2227 -10.74307 17.51124 
1 1 1   11   11   36 o  211.861   3.2003  6855.47  206.949  7163.02  308.823  6604.80  278.811  216.464   4.6742  207.878   4.3942 8.585098 6.415418 
1 1 1   11   11   37 o   67.238   3.5548  692.593   72.696  1213.92  168.496  573.361   80.581   88.828   6.2547   61.093   4.3498 27.73425 7.618521 
1 1 1   11   11   38 o  140.093   4.2474  2999.79  181.618  3053.57  267.931  2954.07  247.034  141.220   6.2160  138.928   5.8257 2.292206 8.519256 
1 1 1   11   11   39 o   94.084   3.7478  1352.61  107.626  1445.49  420.166  1346.08  111.341   95.296   14.936   93.853   3.8868 1.443336 15.43363 
1 1 1   11   11   40 o  216.024   3.8764  7132.05  255.595  7258.69  334.922  6955.44  395.522  217.826   5.0375  213.110   6.0806 4.716400 7.896261 
1 1 1   11   11   41 o   81.272   3.0270  1008.96   75.087  1003.72  114.470  1012.92   99.480   80.876   4.6569   81.403   4.0039 -0.5269623 6.141467 
1 1 1   11   11   42 o  182.805   3.2041  5105.64  178.777  4982.94  357.392  5146.60  206.466  180.281   6.4950  183.503   3.6863 -3.222473 7.468166 
1 1 1   11   11   43 o   44.181   4.0263  300.925   53.699  254.205  449.833  301.601   54.085   50.483   19.877   44.228   4.0515 6.255600 20.28526 
1 1 1   11   11   44 o  280.670   5.5203 12069.11  472.907 11599.10  729.269 12410.18  621.230  274.355   8.7088  284.229   7.1609 -9.874817 11.27480 
1 1 1   11   11   45 o   53.706   6.7090  449.740  107.578  351.476  677.907  452.279  108.958   60.106   24.157   53.848   6.7797 6.257900 25.08994 
1 1 1   11   11   46 o  104.612   4.9938  1676.64  159.451  1807.00  211.917  1506.53  242.074  108.276   6.4415   98.525   8.1221 9.750198 10.36636 
1 1 1   11   11   47 o  150.723   5.2691  3483.75  242.399  3448.77  300.270  3549.22  410.719  149.764   6.5688  151.196   8.9397 -1.431656 11.09357 
1 1 1   11   11   48 o   54.218   5.0351  454.674   82.372  626.957  676.674  452.083   82.989   65.860   24.776   54.054   5.0900 11.80586 25.29302 
1 1 1   11   11   49 o  189.572   5.3065  5518.46  307.041  5588.25  400.503  5418.96  478.198  190.364   6.8929  186.997   8.3783 3.366974 10.84934 
1 1 1   11   11   50 o  168.178   5.0408  4343.29  258.754  4375.67  339.333  4298.29  399.962  168.433   6.6006  166.568   7.8670 1.864899 10.26925 
1 1 1   11   11   51 o  197.094   10.336  6114.03  619.645   0.0000   0.0000  6114.03  619.645  ?   ?   197.094   10.336 0.000000 10.33641 
1 1 1   11   11   52 o  188.251   10.279  5591.09  588.372  5981.99  839.405  5213.54  824.950  191.746   14.449  178.273   15.309 13.47299 21.05105 
1 1 1   11   12    0 o  258.869   17.248 10426.64  1348.90 10426.64  1348.90 10426.64  1348.90  258.869   17.248  258.869   17.248 0.000000 0.000000 
1 1 1   11   12    1 o  163.542   4.5829  4085.30  228.762  4163.98  247.734  3629.78  596.062  165.099   4.9161  153.167   12.869 11.93120 13.77625 
1 1 1   11   12    2 o  297.782   6.9663 13560.03  633.164 13413.45  734.745 13982.95  1248.01  296.060   8.1309  301.543   13.560 -5.483093 15.81073 
1 1 1   11   12    3 o  252.526   6.1758  9747.57  476.010 11071.11  945.649  9298.40  550.892  268.591   11.535  246.560   7.3203 22.03120 13.66181 
1 1 1   11   12    4 o  206.004   5.5716  6485.04  350.328  8058.54  946.489  6235.25  377.111  228.493   13.634  201.971   6.1174 26.52237 14.94307 
1 1 1   11   12    5 o  270.558   5.3309 11185.09  440.230 11231.10  655.873 11147.37  593.891  270.913   7.9318  269.965   7.2075 0.9480286 10.71734 
1 1 1   11   12    6 o  269.429   5.2616 11091.77  432.689 11642.35  613.343 10546.28  610.496  275.882   7.2839  262.546   7.6183 13.33591 10.54012 
1 1 1   11   12    7 o  357.608   8.3731 19577.42  913.928 22332.67  2393.67 19107.22  988.842  378.367   20.807  353.177   9.1731 25.19031 22.73913 
1 1 1   11   12    8 o  121.062   8.2671  2253.97  303.650  2492.46  485.073  2100.30  389.378  126.712   12.714  116.470   11.087 10.24129 16.86880 
1 1 1   11   12    9 o  189.254   6.2429  5475.98  360.621  5475.98  360.621   0.0000   0.0000  189.254   6.2429  ?   ?  0.000000 6.242925 
1 1 1   11   12   10 o  117.948   4.6276  2125.25  166.598  2132.25  183.294  2092.00  399.517  118.130   5.0836  116.175   11.414 1.954575 12.49513 
1 1 1   11   12   11 o   36.925   11.973  202.661  154.208  256.328  334.039  188.126  173.842   46.683   17.437   36.809   12.722 9.873676 21.58479 
1 1 1   11   12   12 o  127.607   4.2120  2487.22  164.050  2785.65  613.224  2464.22  170.255  133.491   15.328  127.011   4.3918 6.480377 15.94525 
1 1 1   11   12   13 o   43.166   4.6056  287.894   59.743  107.285  477.209  290.770   60.217   48.180   19.923   43.382   4.6188 4.797977 20.45176 
1 1 1   11   12   14 o  379.307   8.7767 22043.49  1016.11 22248.03  1101.88 20881.02  2626.85  380.938   9.4768  363.952   23.778 16.98657 25.59658 
1 1 1   11   12   15 o   76.276   3.4653  888.451   80.677  798.449  305.703  895.189   83.642   70.659   14.655   76.563   3.5792 -5.903442 15.08605 
1 1 1   11   12   16 o   82.923   7.4734  1061.01  187.118  1176.61  323.947  1003.13  229.226   86.550   12.635   80.323   9.5362 6.227303 15.82998 
1 1 1   11   12   17 o   73.235   4.1410  821.892   92.185  875.897  107.169  668.253  180.760   75.570   4.6692   65.368   9.3241 10.20183 10.42785 
1 1 1   11   12   18 o  312.591   5.5749 14938.36  531.904 15710.61  620.268 12792.33  1033.99  320.487   6.3409  288.401   11.746 32.08640 13.34856 
1 1 1   11   12   19 o  140.080   3.4639  2996.68  148.102  3270.43  221.484  2775.30  199.182  146.285   4.9605  134.762   4.8425 11.52316 6.932248 
1 1 1   11   12   20 o  101.602   3.6415  1576.65  112.927  1571.08  118.576  1630.95  370.297  101.418   3.8306  102.239   12.101 -0.8207245 12.69290 
1 1 1   11   12   21 o  158.120   5.4536  3822.49  263.199  3822.49  263.199   0.0000   0.0000  158.120   5.4536  ?   ?  0.000000 5.453588 
1 1 1   11   12   22 o   65.388   5.8638  659.140  115.787  659.140  115.787   0.0000   0.0000   65.388   5.8638  ?   ?  0.000000 5.863830 
1 1 1   11   12   23 o  203.252   5.2265  6315.67  324.238  6998.47  701.800  6130.37  365.596  213.075   10.827  200.194   5.9832 12.88092 12.36993 
1 1 1   11   12   24 o  282.250   6.9646 12196.59  599.999 12692.48  1642.90 12120.27  644.518  284.429   19.034  281.293   7.5069 3.135620 20.46096 
1 1 1   11   12   25 o  253.133   9.7781  9841.58  755.471 10508.93  1379.05  9555.43  903.029  259.192   17.535  249.047   11.880 10.14470 21.18017 
1 1 1   11   12   26 o  284.171   6.7806 12362.60  588.120 12853.62  1624.36 12288.53  630.926  286.250   18.694  283.249   7.2978 3.001770 20.06837 
1 1 1   11   12   27 o  149.883   4.9980  3434.32  228.646  3750.93  715.588  3398.32  241.295  154.794   15.348  149.079   5.3029 5.715118 16.23840 
1 1 1   11   12   28 o   19.666   6.8020   53.240   49.704  152.814  110.219   27.821   55.688   31.823   10.102   17.833   7.0024 13.99015 12.29134 
1 1 1   11   12   29 o  199.115   4.6220  6059.67  280.897  6037.42  404.421  6080.40  390.443  198.587   6.6722  199.316   6.4180 -0.7288055 9.257877 
1 1 1   11   12   30 o  328.125   7.2709 16492.71  728.192 16713.50  848.878 15877.58  1416.90  330.102   8.4252  320.171   14.499 9.931549 16.76919 
1 1 1   11   12   31 o  182.798   4.9610  5108.54  276.797  5030.44  349.636  5239.68  453.065  181.296   6.3184  184.866   8.0295 -3.570053 10.21738 
1 1 1   11   12   32 o  232.117   5.7732  8242.38  409.013  8282.45  480.908  8137.59  777.631  232.574   6.7746  229.891   11.082 2.683167 12.98903 
1 1 1   11   12   33 o  268.143   5.5736 10998.24  456.166 10793.81  503.799 11928.57  1074.72  265.564   6.2154  277.919   12.670 -12.35519 14.11199 
1 1 1   11   12   34 o  450.741   7.9255 31154.95  1090.37 33237.71  1548.34 29105.89  1535.76  464.564   10.920  434.486   11.581 30.07858 15.91684 
1 1 1   11   12   35 o  327.902   5.4824 16447.88  548.693 16942.87  698.237 15648.69  887.210  332.572   6.8786  319.168   9.1073 13.40369 11.41307 
1 1 1   11   12   36 o  112.348   3.7049  1928.46  127.044  2176.62  740.286  1920.93  128.958  115.471   21.804  112.126   3.7681 3.344360 22.12686 
1 1 1   11   12   37 o  248.389   6.4537  9449.77  489.281 10136.31  1488.62  9366.62  518.065  252.933   19.431  247.236   6.8652 5.697845 20.60810 
1 1 1   11   12   38 o  219.683   3.3581  7372.71  225.169  8577.17  443.862  6955.33  261.286  236.662   6.1447  213.327   4.0129 23.33540 7.338979 
1 1 1   11   12   39 o   98.680   2.4547  1486.97   73.936  1689.68  130.827  1391.85   89.620  105.138   4.0768   95.456   3.0760 9.681587 5.107067 
1 1 1   11   12   40 o   43.420   4.7161  291.762   61.497  354.419  112.967  265.373   73.312   47.379   8.1030   41.196   6.0072 6.183075 10.08687 
1 1 1   11   12   41 o  300.568   5.9312 13840.89  544.131 14591.19  1809.16 13766.27  570.548  302.199   19.722  299.695   6.2373 2.503784 20.68497 
1 1 1   11   12   42 o   74.839   3.8287  858.496   87.166  875.850  139.225  847.308  111.785   75.345   6.1066   74.238   4.9619 1.106262 7.868367 
1 1 1   11   12   43 o  140.171   3.8057  3004.15  162.820  3034.12  245.800  2980.71  217.342  140.702   5.7235  139.519   5.1038 1.183197 7.668602 
1 1 1   11   12   44 o   52.585   3.6000  424.742   57.433  305.051  117.804  462.060   65.779   43.655   9.1345   54.822   3.9578 -11.16673 9.955085 
1 1 1   11   12   45 o  184.444   3.4377  5201.40  193.528  5794.88  348.408  4936.58  232.734  194.337   5.8738  179.600   4.2456 14.73705 7.247487 
1 1 1   11   12   46 o  113.344   3.6611  1965.20  126.657  2180.29  223.855  1863.92  153.608  118.970   6.1860  110.314   4.5621 8.656815 7.686347 
1 1 1   11   12   47 o  150.421   4.8754  3469.23  223.838  3979.09  866.645  3432.79  231.700  155.367   18.648  149.600   5.0743 5.766602 19.32597 
1 1 1   11   12   48 o   91.081   3.5834  1269.61   99.620  1401.97  193.259  1221.71  116.255   95.150   6.6972   89.294   4.2655 5.855614 7.940190 
1 1 1   11   12   49 o   64.485   3.1082  636.101   61.176  747.052  171.065  619.831   65.508   68.917   8.2992   63.551   3.3894 5.366253 8.964659 
1 1 1   11   12   50 o   74.428   4.2702  852.298   96.601   0.0000   0.0000  852.298   96.601  ?   ?    74.428   4.2702 0.000000 4.270193 
1 1 1   11   12   51 o   52.073   5.0625  420.768   79.445   0.0000   0.0000  420.768   79.445  ?   ?    52.073   5.0625 0.000000 5.062480 
1 1 1   11   13    0 o  461.807   12.430 32740.30  1749.23 32740.30  1749.23 32740.30  1749.23  461.807   12.430  461.807   12.430 0.000000 0.000000 
1 1 1   11   13    1 o  508.299   17.538 40006.73  2720.91 40274.96  3333.29 39471.13  4710.29  508.166   21.491  496.319   31.253 11.84656 37.92898 
1 1 1   11   13    2 o  228.196   8.5747  7974.87  597.231  7890.08  731.859  8143.88  1033.29  226.773   10.573  229.339   14.841 -2.565948 18.22232 
1 1 1   11   13    3 o  354.054   8.5533 19197.55  924.314 19377.07  1001.65 18167.86  2398.95  355.603   9.2285  339.916   23.262 15.68707 25.02586 
1 1 1   11   13    4 o  423.890   12.781 27637.84  1653.65 30135.79  2340.29 25147.01  2336.95  441.169   17.380  402.429   19.026 38.74045 25.76906 
1 1 1   11   13    5 o  439.655   10.068 29644.78  1351.06 33832.96  2659.64 28188.15  1568.50  466.905   18.663  428.276   11.999 38.62811 22.18734 
1 1 1   11   13    6 o  224.997   5.8110  7738.59  399.066  8018.69  438.855  6400.67  959.138  229.001   6.2786  203.009   15.599 25.99284 16.81474 
1 1 1   11   13    7 f  288.501   19.030 12983.52  1666.35 12983.52  1666.35   0.0000   0.0000  288.501   19.030  ?   ?  0.000000 19.03045 
1 1 1   11   13    8 o  157.426   5.6458  3788.24  271.281  3788.24  271.281   0.0000   0.0000  157.426   5.6458  ?   ?  0.000000 5.645786 
1 1 1   11   13    9 o  220.744   5.8537  7449.45  394.402  7654.06  434.027  6479.88  944.806  223.720   6.3562  204.299   15.262 19.42107 16.53250 
1 1 1   11   13   10 f   89.937   6.2431  1242.82  170.317  1288.08  323.245  1225.43  200.389   90.770   11.958   89.175   7.4299 1.594887 14.07866 
1 1 1   11   13   11 o  137.619   4.3844  2893.22  184.164  2657.41  653.166  2913.58  191.952  129.953   16.865  138.097   4.5540 -8.144104 17.46896 
1 1 1   11   13   12 o   82.509   3.5886  1039.66   90.375  973.641  156.702  1072.57  110.627   79.519   6.5135   83.679   4.3464 -4.159485 7.830459 
1 1 1   11   13   13 o   55.338   5.3664  472.462   89.501  419.944  118.216  542.994  136.999   51.812   7.7102   59.045   7.7922 -7.232269 10.96202 
1 1 1   11   13   14 o  286.018   5.3532 12504.54  467.329 12708.68  667.305 12308.05  654.682  288.112   7.5883  283.537   7.5649 4.574829 10.71496 
1 1 1   11   13   15 o  177.838   4.1173  4831.22  223.490  4986.16  344.382  4718.49  293.747  180.554   6.2491  175.686   5.4780 4.868118 8.310178 
1 1 1   11   13   16 o  177.361   4.0436  4805.27  218.898  4834.53  230.515  4536.73  698.369  177.892   4.2455  170.999   13.490 6.892990 14.14239 
1 1 1   11   13   17 o   96.478   3.4937  1421.54  102.879  1457.35  161.299  1396.98  133.576   97.484   5.4427   95.616   4.5770 1.867805 7.111429 
1 1 1   11   13   18 o  306.082   5.3940 14322.84  503.925 14546.13  555.510 13285.30  1197.46  308.405   5.9014  293.457   13.369 14.94711 14.61353 
1 1 1   11   13   19 o  372.581   6.0882 21233.88  692.347 21279.70  795.721 21091.13  1404.65  372.846   6.9922  369.978   12.439 2.868164 14.26926 
1 1 1   11   13   20 o  210.284   5.3348  6760.61  342.408  7025.09  401.770  6058.66  654.532  214.295   6.1426  198.214   10.860 16.08022 12.47691 
1 1 1   11   13   21 o  229.592   4.0889  8053.29  286.533  8160.85  316.430  7563.40  675.299  231.094   4.4861  221.903   9.9705 9.191483 10.93324 
1 1 1   11   13   22 o  172.749   3.1614  4557.27  166.690  5003.45  223.031  3992.65  250.891  180.970   4.0378  161.608   5.0863 19.36127 6.494185 
1 1 1   11   13   23 o  100.903   3.8645  1555.38  119.019  1751.80  158.301  1299.96  180.514  107.054   4.8447   91.937   6.4742 15.11699 8.086133 
1 1 1   11   13   24 o  131.661   4.6716  2649.44  187.734  2756.54  229.759  2434.28  325.642  134.251   5.6071  125.695   8.5386 8.556091 10.21505 
1 1 1   11   13   25 o  110.593   4.3356  1869.02  146.349   0.0000   0.0000  1869.02  146.349  ?   ?   110.593   4.3356 0.000000 4.335562 
1 1 1   11   13   26 o   70.297   4.2891  757.944   91.588  1051.25  447.922  745.146   93.565   80.468   18.608   69.688   4.4218 10.78041 19.12653 
1 1 1   11   13   27 o   28.157   8.9609  119.214   86.688  155.113  109.590   59.198  141.697   31.975   10.064   27.763   11.084 4.212360 14.97150 
1 1 1   11   13   28 o  314.242   6.2231 15111.82  596.880 15492.50  741.041 14408.66  1007.14  317.954   7.6359  305.999   10.783 11.95444 13.21313 
1 1 1   11   13   29 o  112.224   3.2109  1923.45  109.985  1995.47  186.584  1885.10  136.156  114.230   5.3515  111.076   4.0160 3.153870 6.690820 
1 1 1   11   13   30 o  113.518   3.5285  1968.39  122.258  2029.30  216.945  1940.04  147.996  114.986   6.2044  112.673   4.3034 2.313103 7.550755 
1 1 1   11   13   31 o  286.757   5.4924 12577.28  480.720 12664.23  506.912 11800.54  1515.08  287.713   5.7724  274.161   18.209 13.55240 19.10226 
1 1 1   11   13   32 o  139.174   3.8386  2959.33  163.059  3023.20  175.661  2561.53  438.402  140.658   4.0916  128.452   11.297 12.20572 12.01492 
1 1 1   11   13   33 o  208.333   5.8011  6641.21  368.879  6716.29  406.445  6290.46  878.507  209.451   6.3577  200.897   14.423 8.553909 15.76204 
1 1 1   11   13   34 o  243.279   6.1322  9059.88  455.338  9048.77  533.655  9089.64  873.112  242.990   7.1954  242.682   11.787 0.3079681 13.80998 
1 1 1   11   13   35 o  181.568   4.9994  5041.79  277.060  5165.75  1039.28  5032.31  287.463  180.265   19.184  181.382   5.1924 -1.116943 19.87392 
1 1 1   11   13   36 o  204.247   4.2312  6376.59  263.776  6689.29  429.615  6187.38  334.182  208.939   6.7366  201.089   5.4448 7.850952 8.661834 
1 1 1   11   13   37 o  182.495   3.4285  5088.26  190.972  5092.20  258.080  5083.50  283.914  182.483   4.6336  182.288   5.1028 0.1949921 6.892674 
1 1 1   11   13   38 f   71.770   2.6895  786.661   58.917  901.987  117.346  747.791   68.126   76.617   5.0462   69.964   3.1902 6.652382 5.970070 
1 1 1   11   13   39 f  125.261   2.9796  2396.77  113.919  2462.43  222.183  2373.36  132.688  126.804   5.7407  124.626   3.4882 2.177841 6.717356 
1 1 1   11   13   40 o  210.042   4.2566  6746.71  272.888  6282.57  1056.68  6779.87  282.470  198.737   17.602  210.543   4.3956 -11.80659 18.14256 
1 1 1   11   13   41 f   95.857   3.3344  1404.17   97.557  1524.32  166.141  1340.94  120.524   99.608   5.4858   93.635   4.2171 5.972900 6.919412 
1 1 1   11   13   42 o  132.161   3.8794  2670.89  156.487  2403.75  233.583  2888.43  210.782  125.192   6.1129  137.344   5.0281 -12.15192 7.915131 
1 1 1   11   13   43 o   31.038   10.128  143.985  110.278  413.081  632.840  135.557  111.992   60.262   23.623   30.482   10.217 29.77955 25.73768 
1 1 1   11   13   44 o   39.098   4.4295  236.999   51.928  276.959   89.064  216.420   63.916   41.842   7.2356   37.116   5.8345 4.726547 9.294953 
1 1 1   11   13   45 o  136.311   2.6961  2839.28  112.173  2838.05  174.585  2840.15  146.387  136.155   4.2010  136.270   3.5196 -0.1141052 5.480499 
1 1 1   11   13   46 o   89.610   3.1006  1227.81   84.805  1479.81  668.425  1223.69   85.496   91.774   23.698   89.458   3.1312 2.316711 23.90400 
1 1 1   11   13   47 o  108.556   2.8563  1801.70   94.641  2089.40  210.135  1728.49  106.001  116.406   5.9340  106.298   3.2671 10.10777 6.773984 
1 1 1   11   13   48 o  117.923   3.5029  2128.61  126.078  2370.40  221.692  2013.02  153.280  124.106   5.8525  114.579   4.3829 9.526894 7.311723 
1 1 1   11   13   49 o  128.320   5.0896  2530.50  199.339   0.0000   0.0000  2530.50  199.339  ?   ?   128.320   5.0896 0.000000 5.089567 
1 1 1   11   14    0 o  189.532   9.7504  5539.36  560.651  5539.36  560.651  5539.36  560.651  189.532   9.7504  189.532   9.7504 0.000000 0.000000 
1 1 1   11   14    1 o  443.958   8.2150 30186.05  1113.19 30000.92  1504.11 30410.27  1655.30  441.937   11.151  444.659   12.196 -2.721710 16.52544 
1 1 1   11   14    2 o  293.156   10.704 13194.55  957.753 14674.18  1173.90 10248.75  1656.36  308.829   12.454  255.233   21.461 53.59579 24.81265 
1 1 1   11   14    3 o  507.720   12.552 39667.61  1945.12 39429.59  2108.15 41030.33  5044.38  505.811   13.655  503.321   33.019 2.490570 35.73087 
1 1 1   11   14    4 o  378.638   13.486 22090.88  1558.51 20243.43  1909.24 25780.36  2698.09  361.342   17.311  405.335   21.890 -43.99274 27.90762 
1 1 1   11   14    5 o  130.835   5.0877  2615.97  203.172  2615.97  203.172   0.0000   0.0000  130.835   5.0877  ?   ?  0.000000 5.087739 
1 1 1   11   14    6 o  154.766   5.5059  3661.41  260.087  3661.41  260.087   0.0000   0.0000  154.766   5.5059  ?   ?  0.000000 5.505875 
1 1 1   11   14    7 o  208.277   15.093  6736.04  952.977  6736.04  952.977   0.0000   0.0000  208.277   15.093  ?   ?  0.000000 15.09319 
1 1 1   11   14    8 o  276.168   7.2866 11673.55  614.208 11750.67  675.755 11307.13  1473.03  276.997   7.9928  269.223   18.030 7.773407 19.72234 
1 1 1   11   14    9 o   82.608   3.7470  1042.25   94.476  1031.03  331.451  1043.24   98.565   80.636   13.973   82.645   3.9074 -2.008659 14.50940 
1 1 1   11   14   10 o  266.700   7.2399 10887.27  589.349   0.0000   0.0000 10887.27  589.349  ?   ?   266.700   7.2399 0.000000 7.239899 
1 1 1   11   14   11 o  429.657   9.9544 28333.30  1305.43 29673.81  3441.75 28108.05  1410.85  431.793   26.239  427.730   10.807 4.062836 28.37749 
1 1 1   11   14   12 o  303.289   9.6637 14114.42  894.577 14122.64  1283.67 14106.65  1247.36  302.501   13.903  302.423   13.513 0.7794189E-01 19.38820 
1 1 1   11   14   13 o  198.479   5.0090  6020.90  303.447  6100.63  354.517  5802.39  586.865  199.737   5.8152  194.170   9.9356 5.566467 11.51228 
1 1 1   11   14   14 o  228.394   6.0546  7978.46  422.070  8780.53  819.755  7689.14  492.345  238.954   11.240  224.113   7.1976 14.84149 13.34672 
1 1 1   11   14   15 o  159.686   3.7452  3894.88  182.539  4347.77  255.943  3426.03  260.414  168.659   4.9718  149.681   5.7000 18.97745 7.563709 
1 1 1   11   14   16 o   62.571   4.5201  601.359   85.744  597.198  108.624  608.239  139.667   62.223   5.7858   62.583   7.4586 -0.3599777 9.439595 
1 1 1   11   14   17 o   68.738   3.3361  721.588   69.994  742.694  135.031  713.834   81.848   69.371   6.4512   68.244   3.9462 1.127182 7.562479 
1 1 1   11   14   18 o  128.792   3.5647  2533.51  140.129  2560.22  149.402  2338.11  404.032  129.462   3.7809  122.830   10.890 6.631897 11.52751 
1 1 1   11   14   19 o  161.984   4.0833  4008.81  201.886  3989.00  212.196  4198.01  655.647  161.574   4.3028  164.397   13.177 -2.823486 13.86194 
1 1 1   11   14   20 o  200.210   6.5259  6134.92  398.787  6134.92  398.787   0.0000   0.0000  200.210   6.5259  ?   ?  0.000000 6.525878 
1 1 1   11   14   21 o  309.790   5.9700 14682.11  564.499 14455.45  803.046 14903.51  793.680  306.991   8.5703  311.754   8.3410 -4.762909 11.95918 
1 1 1   11   14   22 f  145.582   6.4698  3243.91  287.485  3155.83  722.570  3260.47  313.354  141.405   17.088  145.914   7.0359 -4.508743 18.48001 
1 1 1   11   14   23 o  234.928   9.1117  8472.22  653.356   0.0000   0.0000  8472.22  653.356  ?   ?   234.928   9.1117 0.000000 9.111669 
1 1 1   11   14   24 o  182.136   5.1633  5072.27  287.041   0.0000   0.0000  5072.27  287.041  ?   ?   182.136   5.1633 0.000000 5.163349 
1 1 1   11   14   25 o  177.135   5.0141  4797.09  271.089  4926.39  325.507  4504.41  489.737  179.440   5.9432  171.001   9.4194 8.438995 11.13767 
1 1 1   11   14   26 o   81.549   7.0538  1026.08  173.845  1080.58  336.149  1006.18  203.117   82.504   13.839   80.565   8.3828 1.938957 16.17973 
1 1 1   11   14   27 o  271.809   4.6330 11292.54  384.362 11496.68  473.339 10897.38  658.576  274.150   5.6568  266.585   8.0938 7.565002 9.874654 
1 1 1   11   14   28 o   17.481   6.3186   38.620   43.271   81.332   74.491   16.867   53.160   24.189   8.3294   16.608   6.7330 7.580721 10.71035 
1 1 1   11   14   29 o   97.637   5.6654  1463.20  168.109  1619.64  194.443  1000.16  334.530  102.682   6.2336   79.173   14.373 23.50885 15.66621 
1 1 1   11   14   30 o  367.122   6.6804 20638.76  748.567 20794.00  788.238 19211.98  2389.69  368.437   7.0093  347.418   22.660 21.01920 23.71918 
1 1 1   11   14   31 o  177.425   3.8361  4809.71  207.743  4954.69  231.907  4220.75  467.416  180.058   4.2197  165.489   9.2914 14.56921 10.20468 
1 1 1   11   14   32 o   53.014   8.4512  441.933  132.157  553.161  440.214  430.915  138.547   60.667   20.256   52.236   9.0156 8.430977 22.17214 
1 1 1   11   14   33 o  185.634   5.0873  5270.45  288.247  5392.04  343.369  4980.30  530.443  187.684   5.9940  179.681   9.7081 8.002884 11.40942 
1 1 1   11   14   34 o  113.868   3.7314  1981.18  129.686  2181.86  242.597  1900.88  153.453  119.148   6.6980  111.506   4.5088 7.642967 8.074189 
1 1 1   11   14   35 o  149.746   5.1994  3430.67  237.645  3494.23  301.079  3325.62  387.047  151.019   6.5318  146.860   8.6731 4.158661 10.85758 
1 1 1   11   14   36 o   57.726   5.2889  514.182   92.152  479.076  114.777  577.858  154.579   55.474   6.9299   60.731   8.5779 -5.257198 11.02741 
1 1 1   11   14   37 o   21.214   7.1580   64.217   54.975  -1.5557  127.533   79.228   60.926   23.573   10.054   23.136   7.5271 0.4369698 12.55927 
1 1 1   11   14   38 o  146.733   3.1490  3289.38  141.031  3223.63  272.631  3313.39  164.792  145.037   6.1586  147.239   3.6669 -2.202103 7.167562 
1 1 1   11   14   39 o  110.991   2.9140  1881.90   98.717  2172.22  205.225  1794.50  112.600  119.082   5.6463  108.364   3.4044 10.71896 6.593235 
1 1 1   11   14   40 o   50.092   3.4459  385.315   52.364  297.614  140.251  399.520   56.445   43.015   10.721   50.992   3.6508 -7.977287 11.32523 
1 1 1   11   14   41 o  184.442   4.9439  5209.03  278.322  5193.88  677.257  5212.11  305.293  182.233   12.247  184.434   5.4232 -2.200577 13.39430 
1 1 1   11   14   42 o  129.713   4.3783  2575.14  173.343  2575.14  173.343   0.0000   0.0000  129.713   4.3783  ?   ?  0.000000 4.378296 
1 1 1   11   14   43 o  113.516   5.5008  1976.33  190.588  1988.04  220.742  1942.04  377.757  113.576   6.3937  111.107   11.296 2.468903 12.98019 
1 1 1   11   14   44 o   66.058   3.9011  670.123   78.307  751.728  153.980  641.655   90.946   69.459   7.3759   64.549   4.6472 4.910004 8.717816 
1 1 1   11   14   45 o   79.071   4.4629  961.069  107.268  980.566  647.571  960.519  108.770   75.566   24.537   79.040   4.5275 -3.473984 24.95156 
1 1 1   11   14   46 o  221.404   4.6255  7517.39  312.577  7564.17  498.973  7487.18  401.013  221.262   7.3884  220.608   5.9555 0.6545410 9.489858 
1 1 1   11   14   47 o   65.916   3.0126  664.588   60.610  895.243  161.359  626.699   65.399   75.803   7.0551   63.903   3.3648 11.90006 7.816442 
1 1 1   11   14   48 o   54.846   5.5504  467.556   91.634   0.0000   0.0000  467.556   91.634  ?   ?    54.846   5.5504 0.000000 5.550353 
1 1 1   11   15    0 o   83.752   8.2679  1103.48  206.625  1103.48  206.625  1103.48  206.625   83.752   8.2679   83.752   8.2679 0.000000 0.000000 
1 1 1   11   15    1 o  242.681   4.7174  8999.48  349.425  9433.98  494.882  8567.51  493.444  248.325   6.5293  236.619   6.8324 11.70587 9.450541 
1 1 1   11   15    2 o  362.171   11.180 20162.54  1235.83 20359.83  1748.99 19965.82  1746.48  362.642   15.801  359.072   15.936 3.569733 22.44149 
1 1 1   11   15    3 o  223.301   6.1159  7626.25  416.837  7173.89  450.964 10280.22  1092.32  216.520   6.8238  257.728   13.938 -41.20815 15.51845 
1 1 1   11   15    4 o   58.125   14.357  542.278  253.204  542.278  253.204   0.0000   0.0000   58.125   14.357  ?   ?  0.000000 14.35673 
1 1 1   11   15    5 o  252.768   7.5894  9783.61  585.526  9783.61  585.526   0.0000   0.0000  252.768   7.5894  ?   ?  0.000000 7.589386 
1 1 1   11   15    6 o  196.232   14.539  5981.45  864.629  5981.45  864.629   0.0000   0.0000  196.232   14.539  ?   ?  0.000000 14.53932 
1 1 1   11   15    7 o  308.585   7.3997 14579.86  696.959 14680.42  830.634 14340.66  1281.11  309.439   8.7946  304.822   13.770 4.617035 16.33859 
1 1 1   11   15    8 o  258.936   5.2889 10249.55  418.000   0.0000   0.0000 10249.55  418.000  ?   ?   258.936   5.2889 0.000000 5.288908 
1 1 1   11   15    9 o  167.855   5.0165  4306.46  257.013   0.0000   0.0000  4306.46  257.013  ?   ?   167.855   5.0165 0.000000 5.016535 
1 1 1   11   15   10 o  120.774   4.4537  2228.78  164.176   0.0000   0.0000  2228.78  164.176  ?   ?   120.774   4.4537 0.000000 4.453686 
1 1 1   11   15   11 o  285.283   5.5573 12444.47  483.901 12299.61  721.252 12563.06  652.569  283.275   8.3418  286.417   7.4647 -3.141510 11.19409 
1 1 1   11   15   12 o  213.980   4.3847  6996.19  286.372  6964.90  316.066  7139.68  676.731  213.471   4.8509  215.572   10.285 -2.100540 11.37161 
1 1 1   11   15   13 o  254.309   6.1029  9893.52  473.713  9822.37  552.056 10092.19  922.512  253.280   7.1411  256.009   11.806 -2.729065 13.79762 
1 1 1   11   15   14 o  289.875   6.6834 12861.07  591.322 12813.50  688.487 12994.82  1154.49  289.186   7.8001  290.194   13.034 -1.008636 15.18991 
1 1 1   11   15   15 f   48.502   4.0531  361.910   59.452  405.411  260.403  359.518   61.065   50.953   15.422   48.328   4.1810 2.625408 15.97910 
1 1 1   11   15   16 o  140.636   4.4648  3022.50  191.653  2960.66  225.664  3182.53  363.024  139.151   5.3132  143.837   8.3042 -4.686066 9.858507 
1 1 1   11   15   17 o  190.901   8.2972  5587.92  483.454  5755.85  623.519  5334.78  765.548  193.175   10.616  185.308   13.631 7.866714 17.27691 
1 1 1   11   15   18 o  358.750   8.3073 19735.52  909.632 19891.20  987.466 18863.14  2337.53  360.015   8.9864  345.002   22.318 15.01334 24.05911 
1 1 1   11   15   19 o   31.202   6.2695  154.312   57.636  164.787   76.746  140.763   87.287   32.155   7.8810   30.073   8.8899 2.081242 11.88026 
1 1 1   11   15   20 o   95.004   3.8823  1378.90  112.577  2138.07  458.420  1330.17  116.134  116.956   13.065   93.305   4.0779 23.65106 13.68661 
1 1 1   11   15   21 o  479.189   16.703 35744.57  2443.01   0.0000   0.0000 35744.57  2443.01  ?   ?   479.189   16.703 0.000000 16.70327 
1 1 1   11   15   22 o  449.643   10.624 31106.92  1458.07   0.0000   0.0000 31106.92  1458.07  ?   ?   449.643   10.624 0.000000 10.62416 
1 1 1   11   15   23 o  291.289   6.9208 12994.15  615.313   0.0000   0.0000 12994.15  615.313  ?   ?   291.289   6.9208 0.000000 6.920767 
1 1 1   11   15   24 o  257.164   4.5128 10107.71  354.219 10226.69  408.070  9744.03  713.430  258.613   5.1697  251.892   9.2794 6.720917 10.62229 
1 1 1   11   15   25 o  152.786   3.4294  3565.56  159.924  3728.63  259.117  3465.21  203.256  156.138   5.4371  150.577   4.4225 5.561081 7.008617 
1 1 1   11   15   26 o  209.295   3.5908  6691.46  229.387  7190.08  304.458  6036.78  348.863  216.887   4.5991  198.644   5.7539 18.24228 7.366092 
1 1 1   11   15   27 o  119.636   3.6069  2186.43  131.709  2137.12  154.146  2319.80  253.505  118.256   4.2706  122.893   6.7847 -4.636894 8.016866 
1 1 1   11   15   28 o   87.643   5.4588  1179.45  145.301  1198.12  190.034  1153.17  225.450   88.148   7.1241   86.249   8.6821 1.899773 11.23082 
1 1 1   11   15   29 o   68.509   4.7488  720.979   98.687  688.112  117.337  800.431  182.434   66.809   5.8121   71.724   8.4987 -4.915550 10.29609 
1 1 1   11   15   30 o  224.338   5.5775  7699.99  381.907  7783.84  448.013  7477.05  730.485  225.453   6.5105  220.291   10.864 5.162003 12.66562 
1 1 1   11   15   31 o   88.577   4.5690  1202.65  123.105  1151.33  146.898  1323.70  225.624   86.565   5.5897   92.533   8.0693 -5.968727 9.816238 
1 1 1   11   15   32 o  165.323   3.3155  4175.13  167.301  4270.69  222.401  4050.57  253.917  167.145   4.3594  162.730   5.1122 4.415207 6.718540 
1 1 1   11   15   33 f   85.103   3.6477  1106.64   94.750  1216.52  201.350  1075.38  107.382   88.742   7.5040   83.770   4.2132 4.971649 8.605915 
1 1 1   11   15   34 o   96.182   3.5624  1413.54  104.580  1671.87  215.447  1333.91  119.618  104.215   6.8107   93.412   4.1954 10.80286 7.999176 
1 1 1   11   15   35 o   70.373   5.1845  761.918  110.576  758.468  153.513  765.638  159.409   69.935   7.2993   70.229   7.5556 -0.2933884 10.50555 
1 1 1   11   15   36 o   87.486   6.5581  1179.95  173.845  1390.74  495.150  1150.32  185.664   92.359   18.212   86.297   7.1122 6.062859 19.55132 
1 1 1   11   15   37 o  107.589   2.8410  1768.17   93.294  2387.42  202.211  1600.71  105.155  124.874   5.3054  102.349   3.3661 22.52553 6.283130 
1 1 1   11   15   38 o  185.676   3.5955  5269.69  203.764  5164.09  379.264  5312.54  241.594  183.437   6.7739  186.371   4.2471 -2.934113 7.995205 
1 1 1   11   15   39 o   89.851   3.3411  1233.89   91.628  1627.23  605.898  1224.68   92.694   98.859   20.742   89.514   3.3927 9.345261 21.01745 
1 1 1   11   15   40 o  206.111   4.1689  6499.29  262.261  6997.79  386.471  6073.79  357.059  213.598   5.9279  199.006   5.8784 14.59273 8.348378 
1 1 1   11   15   41 o   68.868   5.0923  730.663  106.281  731.424  115.897  726.643  266.482   68.842   5.5633   66.932   13.510 1.909981 14.61053 
1 1 1   11   15   42 o  114.652   4.8078  2014.08  168.247  2086.70  211.727  1889.64  277.144  116.425   5.9783  110.323   8.2910 6.101585 10.22163 
1 1 1   11   15   43 o   63.625   2.8576  618.766   55.494  558.718  109.330  639.607   64.408   59.999   6.0528   64.590   3.2778 -4.590916 6.883385 
1 1 1   11   15   44 o  165.573   8.3518  4256.04  420.711  4666.39  912.751  4145.35  474.073  168.378   18.041  162.967   9.5728 5.410706 20.42362 
1 1 1   11   15   45 o  100.496   5.2136  1555.22  159.370  1572.42  201.041  1526.15  261.443  100.787   6.5712   98.745   8.7657 2.042206 10.95528 
1 1 1   11   15   46 o  116.790   4.8336  2094.19  172.304  2219.05  215.087  1870.54  287.871  120.050   5.8700  109.320   8.6994 10.73001 10.49458 
1 1 1   11   15   47 f   70.464   16.018  840.602  336.692   0.0000   0.0000  840.602  336.692  ?   ?    70.464   16.018 0.000000 16.01782 
1 1 1   11   15   48 o   96.741   12.377  1515.53  357.099   0.0000   0.0000  1515.53  357.099  ?   ?    96.741   12.377 0.000000 12.37747 
1 1 1   11   16    0 o  473.900   20.413 34912.12  2940.20 34912.12  2940.20 34912.12  2940.20  473.900   20.413  473.900   20.413 0.000000 0.000000 
1 1 1   11   16    1 o  240.015   6.6769  8816.33  489.135 12633.39  909.594  7263.47  580.160  286.739   10.393  217.637   8.7337 69.10196 13.57547 
1 1 1   11   16    2 o  339.284   9.6736 17671.95  1001.77 17671.95  1001.77   0.0000   0.0000  339.284   9.6736  ?   ?  0.000000 9.673618 
1 1 1   11   16    3 o  104.777   12.044  1712.45  378.176  1712.45  378.176   0.0000   0.0000  104.777   12.044  ?   ?  0.000000 12.04434 
1 1 1   11   16    4 o  450.637   12.514 31301.55  1721.30 31301.55  1721.30   0.0000   0.0000  450.637   12.514  ?   ?  0.000000 12.51447 
1 1 1   11   16    5 o  302.402   13.177 14111.53  1216.27 15995.71  1727.39 12258.98  1712.83  320.061   17.752  279.095   20.245 40.96616 26.92533 
1 1 1   11   16    6 o  135.764   4.6975  2816.92  194.658  2829.15  213.255  2755.84  476.616  136.039   5.1359  133.265   11.841 2.774033 12.90672 
1 1 1   11   16    7 o  296.789   19.423 13827.33  1749.72   0.0000   0.0000 13827.33  1749.72  ?   ?   296.789   19.423 0.000000 19.42254 
1 1 1   11   16    8 o  255.248   17.234 10180.26  1334.82   0.0000   0.0000 10180.26  1334.82  ?   ?   255.248   17.234 0.000000 17.23433 
1 1 1   11   16    9 o  229.083   15.951  8181.47  1108.35   0.0000   0.0000  8181.47  1108.35  ?   ?   229.083   15.951 0.000000 15.95100 
1 1 1   11   16   10 o  164.646   9.0231  4171.92  451.720   0.0000   0.0000  4171.92  451.720  ?   ?   164.646   9.0231 0.000000 9.023139 
1 1 1   11   16   11 o   76.253   2.9903  887.893   69.596  766.181  105.675  981.121   92.487   70.625   4.9332   80.141   3.7810 -9.516037 6.215498 
1 1 1   11   16   12 o  203.389   4.4657  6321.73  277.226  6057.75  413.504  6537.25  373.633  198.917   6.8107  206.720   5.9217 -7.802765 9.025058 
1 1 1   11   16   13 o  178.764   3.9790  4882.29  217.107  4825.71  239.581  5142.15  513.415  177.702   4.4172  182.792   9.2322 -5.089218 10.23445 
1 1 1   11   16   14 o   81.310   3.5485  1009.85   88.066  1000.44   98.797  1046.27  194.298   80.920   4.0001   82.255   7.8338 -1.334229 8.795948 
1 1 1   11   16   15 o  154.179   4.6646  3633.34  219.509  3570.03  260.396  3788.80  408.053  152.779   5.5841  156.929   8.5514 -4.149734 10.21318 
1 1 1   11   16   16 o   98.021   3.5234  1467.61  105.415  1476.37  112.979  1408.71  293.013   98.307   3.7653   95.182   10.247 3.124496 10.91724 
1 1 1   11   16   17 o  363.944   15.550 20566.53  1727.40 21674.13  2461.21 19491.28  2425.00  369.937   21.895  350.209   22.811 19.72867 31.61843 
1 1 1   11   16   18 o  219.838   4.3968  7385.86  295.025  7851.33  442.506  7013.39  395.839  226.482   6.4013  214.088   6.0577 12.39355 8.813220 
1 1 1   11   16   19 o  465.877   13.769 33582.63  1957.85 37695.14  3935.73 32230.28  2256.92  483.854   26.754  455.181   16.245 28.67276 31.29940 
1 1 1   11   16   20 o   71.621   6.7619  792.377  146.068   0.0000   0.0000  792.377  146.068  ?   ?    71.621   6.7619 0.000000 6.761932 
1 1 1   11   16   21 o  145.098   3.5381  3215.95  156.693  3481.96  265.993  3074.58  193.910  150.863   5.7766  141.833   4.4792 9.030167 7.309742 
1 1 1   11   16   22 o  207.966   4.9970  6612.62  317.189  6723.41  396.842  6416.65  527.809  209.596   6.2032  204.509   8.4557 5.086929 10.48706 
1 1 1   11   16   23 o  264.837   4.4848 10720.02  362.523 11065.35  417.437  9660.38  731.226  269.011   5.0840  250.742   9.5545 18.26877 10.82289 
1 1 1   11   16   24 o  273.892   6.1103 11480.71  510.811 11859.51  598.820 10468.62  978.821  278.244   7.0510  260.421   12.314 17.82242 14.19011 
1 1 1   11   16   25 o  177.191   3.7772  4796.72  204.283  4887.91  235.881  4523.10  408.592  178.837   4.3213  171.758   7.7939 7.079391 8.911743 
1 1 1   11   16   26 o   90.004   2.9459  1237.10   80.928  1322.48  115.567  1154.94  113.364   93.029   4.0700   86.932   4.2725 6.097733 5.900772 
1 1 1   11   16   27 o  472.496   12.188 34476.32  1757.75 37178.39  2806.79 32732.80  2254.62  486.663   18.896  458.382   16.115 28.28128 24.83429 
1 1 1   11   16   28 o   77.785   4.3443  927.692  102.729  986.729  119.184  757.073  202.617   80.181   4.8934   69.486   9.8276 10.69521 10.97849 
1 1 1   11   16   29 o  223.496   8.1642  7666.24  556.929  7605.69  844.619  7712.82  740.790  221.421   12.549  223.691   10.850 -2.269318 16.58926 
1 1 1   11   16   30 o  142.333   2.7464  3093.77  119.312  3280.54  186.474  2964.32  155.249  146.503   4.1702  139.288   3.6517 7.214890 5.543075 
1 1 1   11   16   31 o  226.755   4.5632  7862.00  315.824  7757.30  364.301  8178.78  633.645  225.165   5.3008  230.641   9.0010 -5.476379 10.44591 
1 1 1   11   16   32 o   78.742   5.8120  954.449  138.699  961.232  216.502  949.728  180.633   78.519   9.2086   78.299   7.6563 0.2206345 11.97570 
1 1 1   11   16   33 f  101.604   3.8629  1577.86  119.796  1869.72  240.420  1481.46  138.171  110.168   7.1893   98.421   4.5995 11.74661 8.534716 
1 1 1   11   16   34 o  174.836   5.4377  4679.72  290.179  5477.72  1092.69  4619.17  300.986  184.761   19.679  173.677   5.6779 11.08380 20.48180 
1 1 1   11   16   35 o   78.345   9.0173  957.450  211.693  1129.07  774.142  943.579  220.082   83.021   26.816   77.679   9.4791 5.341782 28.44215 
1 1 1   11   16   36 o  133.718   4.7415  2736.17  193.518  2714.19  228.687  2791.59  363.177  133.106   5.6289  134.320   8.9091 -1.213791 10.53833 
1 1 1   11   16   37 o  161.542   9.3906  4041.02  461.018   0.0000   0.0000  4041.02  461.018  ?   ?   161.542   9.3906 0.000000 9.390613 
1 1 1   11   16   38 o  110.902   3.1563  1879.60  106.841  1862.92  151.176  1896.24  151.016  110.330   4.4892  111.316   4.4448 -0.9853745 6.317348 
1 1 1   11   16   39 o   78.031   6.7189  942.344  158.463  942.344  158.463   0.0000   0.0000   78.031   6.7189  ?   ?  0.000000 6.718925 
1 1 1   11   16   40 o   87.941   6.2910  1193.89  167.744  1127.88  195.545  1377.82  326.392   85.234   7.5961   93.283   11.722 -8.049019 13.96840 
1 1 1   11   16   41 f  201.362   4.6616  6212.35  286.501  6203.96  302.625  6284.78  889.587  201.179   4.9284  198.536   14.786 2.643311 15.58591 
1 1 1   11   16   42 o   96.138   4.0337  1415.14  118.362  1400.55  134.316  1465.84  250.397   95.594   4.6034   96.932   8.5510 -1.338455 9.711418 
1 1 1   11   16   43 o   67.956   9.0687  729.613  183.408  763.141  662.726  726.832  190.862   68.816   24.747   67.715   9.4957 1.100586 26.50646 
1 1 1   11   16   44 o   63.593   6.1594  628.594  118.057  747.854  162.132  493.998  172.242   69.061   7.8300   55.275   10.595 13.78648 13.17419 
1 1 1   11   16   45 o   74.897   14.727  932.579  324.661   0.0000   0.0000  932.579  324.661  ?   ?    74.897   14.727 0.000000 14.72680 
1 1 1   11   16   46 o   56.425   11.246  519.927  186.877   0.0000   0.0000  519.927  186.877  ?   ?    56.425   11.246 0.000000 11.24559 
1 1 1   11   17    1 o  169.790   5.7620  4409.62  298.610  4409.62  298.610   0.0000   0.0000  169.790   5.7620  ?   ?  0.000000 5.762040 
1 1 1   11   17    2 o  108.377   11.861  1830.80  385.933  1830.80  385.933   0.0000   0.0000  108.377   11.861  ?   ?  0.000000 11.86058 
1 1 1   11   17    3 o  186.787   5.2439  5334.65  298.962  5570.22  793.429  5295.67  322.750  189.316   13.827  186.073   5.6829 3.242950 14.94900 
1 1 1   11   17    4 o   56.436   4.5503  489.921   77.715  436.140   86.593  712.598  176.199   53.131   5.4154   67.600   8.7446 -14.46933 10.28567 
1 1 1   11   17    5 o  259.501   12.059 10381.15  955.104   0.0000   0.0000 10381.15  955.104  ?   ?   259.501   12.059 0.000000 12.05852 
1 1 1   11   17    6 o  165.868   8.7436  4232.68  441.096   0.0000   0.0000  4232.68  441.096  ?   ?   165.868   8.7436 0.000000 8.743609 
1 1 1   11   17    7 o  252.538   9.6745  9797.02  745.716  9846.56  1299.21  9772.68  910.662  250.904   17.066  251.813   11.848 -0.9086151 20.77620 
1 1 1   11   17    8 o  287.851   5.7281 12674.52  503.266 12765.01  749.029 12600.05  679.491  288.474   8.5070  286.726   7.7643 1.747894 11.51749 
1 1 1   11   17    9 f   19.524   7.2969   43.610   58.508   32.611   60.511  201.591  229.325   18.783   7.3208   39.865   14.525 -21.08182 16.26563 
1 1 1   11   17   10 o  272.652   7.1232 11386.25  592.790 11579.57  651.363 10454.03  1430.34  274.863   7.7641  258.054   18.278 16.80917 19.85876 
1 1 1   11   17   11 o  416.924   10.656 26745.11  1355.98 26661.11  1492.08 27143.49  3249.60  415.902   11.754  411.098   26.033 4.804810 28.56307 
1 1 1   11   17   12 o  136.986   4.6806  2868.33  195.703  2950.85  212.466  2406.44  502.678  138.926   5.0106  124.053   13.494 14.87362 14.39386 
1 1 1   11   17   13 o  210.814   4.5520  6792.69  292.902  7260.76  437.116  6411.26  394.592  217.777   6.5761  204.666   6.3166 13.11102 9.118384 
1 1 1   11   17   14 o  351.313   9.3222 18955.76  999.606 18789.08  1100.67 19740.40  2388.12  349.516   10.317  352.637   22.302 -3.121338 24.57337 
1 1 1   11   17   15 o  134.205   5.0900  2753.95  208.500  2671.72  229.947  3134.11  494.418  132.154   5.7007  142.163   11.493 -10.00902 12.82885 
1 1 1   11   17   16 o  370.233   9.8079 21068.36  1108.33 20866.12  1220.54 22018.92  2646.18  368.156   10.862  371.682   23.446 -3.525269 25.83949 
1 1 1   11   17   17 f   75.186   3.2884  863.393   75.465  1102.29  117.627  696.278   98.380   84.799   4.5614   67.316   4.8201 17.48367 6.636238 
1 1 1   11   17   18 o  211.362   4.3621  6827.43  281.407  6838.02  310.602  6778.89  664.842  211.493   4.8116  209.916   10.377 1.577271 11.43791 
1 1 1   11   17   19 o  246.677   5.8391  9310.10  439.636  9497.23  566.985  9027.96  696.200  248.943   7.4620  242.417   9.4092 6.525726 12.00897 
1 1 1   11   17   20 o  135.565   3.5950  2807.42  148.754  2821.93  255.715  2799.99  182.882  135.786   6.1700  135.352   4.4268 0.4345398 7.593763 
1 1 1   11   17   21 o  309.353   6.2079 14647.81  586.159 15386.89  731.279 13319.60  980.324  316.837   7.5619  294.092   10.921 22.74509 13.28361 
1 1 1   11   17   22 o   34.640   3.9473  185.718   40.989  425.567   81.674  104.968   47.390   52.501   5.1636   25.677   6.1314 26.82444 8.015992 
1 1 1   11   17   23 o  166.792   4.2245  4251.53  215.066  4567.08  299.240  3914.39  309.308  172.773   5.6745  159.902   6.3375 12.87122 8.506692 
1 1 1   11   17   24 o   81.311   2.9578  1009.69   73.406  990.246  111.813  1024.42   97.314   80.355   4.5779   81.881   3.8938 -1.525764 6.009914 
1 1 1   11   17   25 o   75.670   3.8789  877.227   89.287  902.570  120.942  846.867  132.372   76.643   5.2007   74.155   5.8972 2.488571 7.862861 
1 1 1   11   17   26 o  167.300   3.8458  4276.80  196.379  4615.11  260.368  3830.41  299.082  173.723   4.9104  158.171   6.1951 15.55130 7.905095 
1 1 1   11   17   27 o  345.373   7.4610 18292.08  786.503 17909.62  974.265 19007.69  1332.67  341.274   9.3531  350.558   12.455 -9.283966 15.57592 
1 1 1   11   17   28 o  125.831   4.9490  2421.69  190.074  2330.01  267.344  2515.42  270.292  123.074   7.1476  127.920   6.9488 -4.845413 9.968676 
1 1 1   11   17   29 o  221.790   4.7220  7522.73  319.655  7534.60  336.106  7410.27  1034.40  221.940   4.9616  217.334   15.699 4.606506 16.46449 
1 1 1   11   17   30 o  256.439   4.2572 10053.66  333.213 10655.19  427.478  9122.25  531.932  263.870   5.3077  243.880   7.1460 19.98999 8.901518 
1 1 1   11   17   31 o   63.468   7.7685  627.603  147.349  628.311  207.638  626.884  209.135   62.845   11.237   62.751   11.336 0.9421921E-01 15.96206 
1 1 1   11   17   32 o  174.778   4.2035  4670.75  224.240  5194.41  365.314  4354.15  284.051  184.072   6.5022  168.635   5.5186 15.43744 8.528426 
1 1 1   11   17   33 o  150.284   3.6662  3452.02  168.171  3686.03  550.383  3427.93  176.617  153.764   11.818  149.745   3.8642 4.018433 12.43336 
1 1 1   11   17   34 o   30.901   6.0256  151.371   54.790  236.837   92.465  105.124   68.017   38.528   8.1190   26.066   7.8804 12.46181 11.31457 
1 1 1   11   17   35 o  143.952   5.0672  3172.92  222.640  2976.18  262.601  3675.82  419.856  139.307   6.1760  154.149   8.9623 -14.84224 10.88423 
1 1 1   11   17   36 o  126.508   7.5176  2469.95  288.973  2423.51  568.350  2486.14  335.588  123.136   15.463  126.678   8.7327 -3.542328 17.75865 
1 1 1   11   17   37 o   95.768   4.1483  1403.27  121.256  1395.96  127.338  1474.39  397.103   95.505   4.3683   95.996   13.962 -0.4904327 14.62961 
1 1 1   11   17   38 o  133.650   4.5302  2735.07  184.802  2788.30  503.666  2726.79  198.658  132.935   12.562  133.413   4.8786 -0.4778442 13.47626 
1 1 1   11   17   39 o   74.829   5.0871  862.359  115.497  868.896  126.567  829.819  282.390   75.047   5.5651   71.539   13.426 3.508217 14.53360 
1 1 1   11   17   40 o   98.105   6.4960  1487.25  193.416  1384.42  223.695  1791.83  384.991   94.367   7.8373  106.227   12.089 -11.85973 14.40751 
1 1 1   11   17   41 o   62.655   3.7536  603.052   71.451  651.843  168.571  592.367   78.888   64.248   8.8296   62.045   4.1903 2.203358 9.773452 
1 1 1   11   17   42 o  147.704   4.5932  3346.11  207.074  3354.26  884.478  3345.64  212.994  139.759   21.417  147.672   4.7255 -7.913300 21.93219 
1 1 1   11   17   43 o   99.961   4.1118  1531.62  125.454  1695.03  736.402  1526.74  127.315   96.167   24.894   99.794   4.1798 -3.627197 25.24269 
1 1 1   11   17   44 o  126.145   4.8534  2444.57  186.867   0.0000   0.0000  2444.57  186.867  ?   ?   126.145   4.8534 0.000000 4.853402 
1 1 1   11   17   45 o   81.656   4.6590  1027.57  115.637   0.0000   0.0000  1027.57  115.637  ?   ?    81.656   4.6590 0.000000 4.659044 
1 1 1   11   18    2 o  226.998   15.847  8045.46  1091.09   0.0000   0.0000  8045.46  1091.09  ?   ?   226.998   15.847 0.000000 15.84732 
1 1 1   11   18    3 o  325.473   8.8198 16258.98  876.170   0.0000   0.0000 16258.98  876.170  ?   ?   325.473   8.8198 0.000000 8.819762 
1 1 1   11   18    4 o  177.133   5.4873  4798.99  296.672   0.0000   0.0000  4798.99  296.672  ?   ?   177.133   5.4873 0.000000 5.487312 
1 1 1   11   18    5 o  193.104   10.219  5750.28  600.157   0.0000   0.0000  5750.28  600.157  ?   ?   193.104   10.219 0.000000 10.21895 
1 1 1   11   18    6 o  319.384   7.9112 15639.48  771.210 15192.38  918.309 16709.47  1420.61  314.450   9.5680  328.459   14.170 -14.00897 17.09801 
1 1 1   11   18    7 o   81.552   4.6476  1019.89  115.206  952.152  123.781  1458.63  315.012   78.740   5.1793   96.752   10.854 -18.01160 12.02679 
1 1 1   11   18    8 o  267.870   10.131 11034.26  828.292  9906.17  1439.72 11592.37  1012.66  250.786   18.949  274.116   12.104 -23.33011 22.48432 
1 1 1   11   18    9 o  138.548   4.4590  2933.82  188.563  2957.26  220.809  2870.70  362.390  139.063   5.2022  136.487   8.7450 2.576630 10.17535 
1 1 1   11   18   10 o  213.902   8.6781  7022.07  566.571  7458.59  993.700  6811.81  689.652  218.753   14.973  210.084   10.792 8.669128 18.45660 
1 1 1   11   18   11 o  255.577   6.7234 10002.43  524.480  9646.21  623.930 10860.41  968.306  250.785   8.1511  265.342   11.956 -14.55675 14.47028 
1 1 1   11   18   12 o  148.601   7.2988  3383.54  331.047  3622.78  595.955  3276.78  398.122  152.590   12.917  145.815   8.9892 6.775375 15.73712 
1 1 1   11   18   13 o  110.949   4.9770  1882.10  168.540  1882.10  168.540   0.0000   0.0000  110.949   4.9770  ?   ?  0.000000 4.976964 
1 1 1   11   18   14 f  169.913   14.123  4501.78  725.803  4501.78  725.803   0.0000   0.0000  169.913   14.123  ?   ?  0.000000 14.12307 
1 1 1   11   18   15 o  339.241   6.6254 17621.87  686.023 17578.88  721.452 18027.49  2216.38  338.766   6.9774  337.115   21.655 1.650482 22.75101 
1 1 1   11   18   16 o  264.521   5.4517 10702.70  440.161 11166.78  602.899 10173.00  644.106  269.950   7.3172  257.525   8.1945 12.42520 10.98592 
1 1 1   11   18   17 o  151.044   5.2763  3489.19  243.249  3345.73  296.591  3783.97  425.150  147.819   6.5737  156.734   8.9240 -8.915070 11.08384 
1 1 1   11   18   18 o  123.251   4.9935  2322.77  187.848  2613.76  249.657  1943.04  285.191  130.671   6.2596  112.222   8.3867 18.44946 10.46516 
1 1 1   11   18   19 o  212.920   3.4933  6925.27  227.024  7717.95  303.396  5916.75  342.219  224.711   4.4235  196.650   5.7015 28.06055 7.216320 
1 1 1   11   18   20 o   63.436   6.2779  622.028  119.958  794.870  182.947  491.671  158.880   71.460   8.5580   55.766   9.6857 15.69377 12.92492 
1 1 1   11   18   21 o  217.020   3.7150  7195.69  246.080  7320.50  318.707  7011.42  387.237  218.814   4.7720  214.038   5.9275 4.776291 7.609641 
1 1 1   11   18   22 o  347.899   6.7100 18540.10  712.513 19648.87  834.006 15544.23  1370.91  357.956   7.6335  316.517   14.190 41.43872 16.11331 
1 1 1   11   18   23 o  122.640   2.9784  2297.09  111.488  2428.38  159.286  2171.01  156.099  126.052   4.1401  119.178   4.2913 6.873360 5.962834 
1 1 1   11   18   24 o  116.263   4.2632  2066.12  151.284  1903.01  190.895  2341.55  248.057  111.372   5.6340  123.459   6.6068 -12.08646 8.682827 
1 1 1   11   18   25 o  136.379   3.5366  2841.66  147.215  2683.05  230.041  2951.68  191.584  132.400   5.6924  138.945   4.5175 -6.544632 7.267172 
1 1 1   11   18   26 o  162.120   4.6198  4019.04  228.598  4107.35  270.164  3796.42  428.929  163.832   5.4027  156.881   8.9953 6.950684 10.49305 
1 1 1   11   18   27 o  243.444   5.4981  9070.88  408.532  9520.04  479.067  7873.52  782.188  249.286   6.2963  225.451   11.404 23.83496 13.02666 
1 1 1   11   18   28 o  237.163   3.8984  8596.90  282.192  9096.54  363.752  7841.67  447.213  243.851   4.8872  226.202   6.4774 17.64832 8.114297 
1 1 1   11   18   29 o  268.939   6.6526 11089.38  546.084 11273.89  594.840 10100.20  1377.26  271.062   7.1898  252.431   17.993 18.63095 19.37647 
1 1 1   11   18   30 o  246.452   5.0301  9295.21  378.378 10397.18  578.910  8473.36  499.948  260.254   7.2878  235.004   6.9700 25.25003 10.08428 
1 1 1   11   18   31 o  104.420   3.7711  1666.74  120.189  1961.93  243.598  1571.76  138.179  112.833   7.1096  101.367   4.4661 11.46577 8.396011 
1 1 1   11   18   32 o   39.114   7.5321  242.940   86.659  206.634   99.362  358.325  177.133   35.925   9.0624   47.152   12.211 -11.22726 15.20642 
1 1 1   11   18   33 o  123.248   3.6158  2322.11  136.019  2425.38  206.689  2243.23  180.649  125.828   5.3817  121.051   4.8893 4.777176 7.271097 
1 1 1   11   18   34 f   69.149   12.135  765.174  246.779  849.425  416.805  719.697  306.221   71.563   18.828   66.318   15.420 5.245247 24.33680 
1 1 1   11   18   35 o  104.472   3.9570  1669.57  126.178  1646.26  139.714  1772.72  293.852  103.711   4.4137  106.743   9.1064 -3.032555 10.11962 
1 1 1   11   18   36 o  209.648   4.6426  6730.98  297.074  6645.77  327.819  7122.43  702.590  208.232   5.1579  213.767   10.803 -5.535675 11.97136 
1 1 1   11   18   37 o  105.734   3.4416  1709.71  111.069  1598.83  170.268  1791.85  146.539  101.939   5.4927  108.170   4.4384 -6.231239 7.061806 
1 1 1   11   18   38 o   76.567   3.2559  896.516   76.091  969.513  124.477  852.966   96.147   79.335   5.1688   74.511   4.2452 4.823265 6.688639 
1 1 1   11   18   39 o   67.247   2.9913  691.437   61.397  716.271  170.191  687.721   65.830   67.498   8.4457   67.056   3.2164 0.4426422 9.037477 
1 1 1   11   18   40 o   35.530   4.4433  196.514   47.132  214.826   83.198  187.860   57.194   36.600   7.6918   34.523   5.6212 2.076958 9.526912 
1 1 1   11   18   41 o  127.635   3.7947  2495.26  147.832  2447.64  265.231  2516.71  178.054  125.690   6.9405  128.080   4.5546 -2.389534 8.301542 
1 1 1   11   18   42 o   45.293   4.8509  318.641   66.017   0.0000   0.0000  318.641   66.017  ?   ?    45.293   4.8509 0.000000 4.850862 
1 1 1   11   18   43 o   38.684   3.8112  231.561   44.416   0.0000   0.0000  231.561   44.416  ?   ?    38.684   3.8112 0.000000 3.811231 
1 1 1   11   19    0 o  200.257   14.798  6268.08  893.154  6268.08  893.154  6268.08  893.154  200.257   14.798  200.257   14.798 0.000000 0.000000 
1 1 1   11   19    1 o  228.540   15.976  8163.65  1107.37   0.0000   0.0000  8163.65  1107.37  ?   ?   228.540   15.976 0.000000 15.97555 
1 1 1   11   19    2 o  333.278   9.5353 17069.14  969.965   0.0000   0.0000 17069.14  969.965  ?   ?   333.278   9.5353 0.000000 9.535254 
1 1 1   11   19    3 o  191.333   6.2379  5603.50  364.289   0.0000   0.0000  5603.50  364.289  ?   ?   191.333   6.2379 0.000000 6.237897 
1 1 1   11   19    4 f  349.714   22.581 19463.37  2397.38   0.0000   0.0000 19463.37  2397.38  ?   ?   349.714   22.581 0.000000 22.58053 
1 1 1   11   19    5 o  120.944   4.7137  2236.10  174.003  2190.73  188.470  2498.08  452.870  119.690   5.1590  126.726   11.846 -7.036125 12.92028 
1 1 1   11   19    6 o  229.977   8.9274  8120.91  626.652  6546.50  1075.76  8929.55  770.963  204.054   17.440  240.877   10.486 -36.82376 20.34986 
1 1 1   11   19    7 o  265.664   6.6825 10807.81  541.858 10649.26  642.775 11197.19  1007.33  263.515   7.9917  269.323   12.254 -5.808105 14.62974 
1 1 1   11   19    8 o  143.927   7.1854  3173.89  315.651  2524.38  551.451  3490.39  384.952  126.805   14.509  150.592   8.4086 -23.78676 16.76964 
1 1 1   11   19    9 o  201.323   5.6999  6201.00  350.250  5871.66  414.401  7024.64  655.338  195.787   6.9346  213.715   10.046 -17.92838 12.20736 
1 1 1   11   19   10 o   13.024   6.0044 -44.1396   55.403 -53.7288   58.964   28.149  161.893   13.120   6.0988   27.834   11.565 -14.71455 13.07452 
1 1 1   11   19   11 o  553.308   23.993 48809.55  4052.03 49337.93  5738.14 48284.01  5722.76  542.813   34.818  536.531   35.140 6.282227 49.46796 
1 1 1   11   19   12 o  198.915   5.7250  6053.84  347.584  6109.07  382.623  5793.05  831.440  199.769   6.2752  192.817   14.228 6.952667 15.55049 
1 1 1   11   19   13 o   98.908   7.1109  1506.53  213.236  1556.81  415.892  1488.60  248.366   99.282   14.122   98.142   8.3713 1.139633 16.41714 
1 1 1   11   19   14 o   92.600   3.2868  1309.72   92.897  1349.93  140.504  1278.50  123.825   93.832   4.9231   91.457   4.4358 2.375069 6.626695 
1 1 1   11   19   15 o  536.892   18.382 45177.00  3012.28 50228.46  5231.17 42671.11  3684.44  552.005   31.176  517.665   23.319 34.34058 38.93201 
1 1 1   11   19   16 o  409.379   9.0906 25747.14  1135.89 26742.00  1361.57 23469.73  2060.05  416.679   10.706  387.436   17.421 29.24298 20.44725 
1 1 1   11   19   17 o  342.468   8.5851 18006.99  897.389 18316.61  990.845 16594.06  2116.67  345.192   9.4043  322.995   21.595 22.19733 23.55377 
1 1 1   11   19   18 o  206.744   3.7083  6530.58  234.006  6776.32  301.990  6161.30  370.199  210.525   4.6997  200.624   6.0455 9.901337 7.657408 
1 1 1   11   19   19 o   59.150   8.1248  546.817  142.809  452.247  183.030  693.982  228.324   53.123   11.612   66.093   11.749 -12.96955 16.51887 
1 1 1   11   19   20 o  194.681   4.8263  5795.77  286.784  5795.77  286.784   0.0000   0.0000  194.681   4.8263  ?   ?  0.000000 4.826304 
1 1 1   11   19   21 o  166.519   5.4329  4242.79  276.132  4441.96  304.056  3305.43  659.625  170.347   5.8479  144.966   15.131 25.38109 16.22151 
1 1 1   11   19   22 o   63.579   5.0671  622.241   97.515  534.987  105.386  1141.75  257.149   58.815   5.9525   85.533   10.041 -26.71841 11.67277 
1 1 1   11   19   23 o   39.879   5.5050  247.965   65.220  201.415  184.928  254.577   69.699   37.885   13.119   40.367   5.8256 -2.481586 14.35465 
1 1 1   11   19   24 o  146.158   4.4708  3266.42  199.443  3335.38  236.209  3095.17  372.242  147.639   5.2418  141.640   8.6519 5.998627 10.11588 
1 1 1   11   19   25 o  305.819   8.6692 14380.99  809.208 15087.56  1339.35 13974.80  1015.51  311.328   14.095  300.761   11.062 10.56668 17.91755 
1 1 1   11   19   26 o  213.809   4.9594  6994.49  323.647  7034.51  403.863  6922.64  541.069  214.269   6.1753  212.209   8.3536 2.060150 10.38830 
1 1 1   11   19   27 o   19.689   7.5389   40.162   63.336 -16.1883   80.517  131.617  102.576   17.921   7.8165   29.817   9.7699 -11.89607 12.51190 
1 1 1   11   19   28 o  195.421   3.7329  5837.38  222.658  6701.88  377.080  5374.60  275.891  209.142   5.9071  187.415   4.8230 21.72740 7.625960 
1 1 1   11   19   29 o  257.558   9.2409 10227.34  726.453   0.0000   0.0000 10227.34  726.453  ?   ?   257.558   9.2409 0.000000 9.240930 
1 1 1   11   19   30 o  124.240   4.9018  2362.81  185.883   0.0000   0.0000  2362.81  185.883  ?   ?   124.240   4.9018 0.000000 4.901845 
1 1 1   11   19   31 o  175.351   4.0924  4703.03  219.029  5116.59  329.101  4374.19  293.461  182.677   5.9024  168.933   5.6914 13.74443 8.199407 
1 1 1   11   19   32 o  239.856   8.6327  8873.20  631.995  8964.03  942.325  8798.94  852.033  239.186   12.956  237.791   11.739 1.395508 17.48343 
1 1 1   11   19   33 o   33.577   5.3152  176.998   52.659  144.333   93.343  192.247   63.777   30.462   9.2366   34.874   6.2197 -4.412437 11.13554 
1 1 1   11   19   34 o  177.585   3.2995  4821.41  178.840  5040.38  241.738  4556.66  265.807  181.451   4.3648  172.433   5.0504 9.017532 6.675236 
1 1 1   11   19   35 o  213.544   4.2645  6981.79  277.957  7004.09  320.758  6914.55  556.949  213.772   4.9160  211.460   8.6292 2.311386 9.931249 
1 1 1   11   19   36 o   66.592   4.2774  681.925   86.480  724.913   97.366  521.290  188.216   68.618   4.6768   56.814   11.252 11.80365 12.18513 
1 1 1   11   19   37 o  113.787   7.1088  2004.69  245.655  2059.91  440.113  1979.70  296.066  113.524   12.932  112.679   8.6752 0.8454819 15.57265 
1 1 1   11   19   38 o   50.607   3.9153  394.569   60.008  329.163  100.281  431.055   74.898   45.577   7.4674   52.806   4.6960 -7.228676 8.821214 
1 1 1   11   19   39 o   71.075   4.1387  776.877   89.394  739.767  103.645  884.685  176.654   69.237   4.9368   75.173   7.8134 -5.935371 9.242326 
1 1 1   11   19   40 o  173.286   5.1238  4615.65  271.001  4542.25  357.808  4714.41  415.034  171.424   6.8385  174.310   7.8009 -2.885788 10.37398 
1 1 1   11   19   41 o  262.164   19.143 11667.84  1521.19   0.0000   0.0000 11667.84  1521.19  ?   ?   262.164   19.143 0.000000 19.14291 
1 1 1   11   19   42 o  113.624   4.9618  1985.69  172.078   0.0000   0.0000  1985.69  172.078  ?   ?   113.624   4.9618 0.000000 4.961790 
1 1 1   11   20    1 o  282.042   18.797 12529.81  1608.93 12529.81  1608.93   0.0000   0.0000  282.042   18.797  ?   ?  0.000000 18.79749 
1 1 1   11   20    2 f  121.896   5.0020  2272.09  186.100  2272.09  186.100   0.0000   0.0000  121.896   5.0020  ?   ?  0.000000 5.001961 
1 1 1   11   20    3 o  246.656   16.984  9539.10  1270.85   0.0000   0.0000  9539.10  1270.85  ?   ?   246.656   16.984 0.000000 16.98407 
1 1 1   11   20    4 o  200.736   14.828  6289.25  902.041   0.0000   0.0000  6289.25  902.041  ?   ?   200.736   14.828 0.000000 14.82751 
1 1 1   11   20    5 o  235.086   16.366  8653.09  1167.02   0.0000   0.0000  8653.09  1167.02  ?   ?   235.086   16.366 0.000000 16.36628 
1 1 1   11   20    6 f  208.289   15.097  6774.82  953.288   0.0000   0.0000  6774.82  953.288  ?   ?   208.289   15.097 0.000000 15.09725 
1 1 1   11   20    7 o  153.933   4.5748  3622.26  214.941  2362.87  586.955  3817.30  230.986  122.170   16.135  158.010   4.7894 -35.84000 16.83128 
1 1 1   11   20    8 f  453.775   8.5381 31609.20  1182.55 30784.90  1758.58 32289.59  1597.71  446.143   12.914  457.570   11.440 -11.42734 17.25261 
1 1 1   11   20    9 o  186.900   6.1238  5347.17  349.337   0.0000   0.0000  5347.17  349.337  ?   ?   186.900   6.1238 0.000000 6.123782 
1 1 1   11   20   10 o  184.551   5.8091  5212.14  327.220  5111.32  359.621  5697.24  788.820  182.699   6.4490  191.311   13.597 -8.612564 15.04928 
1 1 1   11   20   11 o  248.294   6.6452  9442.73  503.605  9552.92  554.158  8920.10  1206.86  249.648   7.2726  238.497   16.684 11.15147 18.20021 
1 1 1   11   20   12 o  420.937   14.816 27535.66  1903.53 26751.16  3303.00 27925.78  2329.24  405.964   26.807  422.056   18.081 -16.09232 32.33523 
1 1 1   11   20   13 o  179.375   4.8049  4919.89  263.067  5196.55  310.678  4219.02  494.492  184.292   5.5232  165.309   9.8451 18.98318 11.28852 
1 1 1   11   20   14 o  331.582   14.652 17087.01  1482.86   0.0000   0.0000 17087.01  1482.86  ?   ?   331.582   14.652 0.000000 14.65187 
1 1 1   11   20   15 o   49.063   10.504  384.836  152.554   0.0000   0.0000  384.836  152.554  ?   ?    49.063   10.504 0.000000 10.50402 
1 1 1   11   20   16 o   30.254   10.269  130.497  113.157  211.298  315.390  118.559  121.228   43.955   16.825   29.849   10.600 14.10611 19.88554 
1 1 1   11   20   17 o  232.997   5.8975  8310.83  419.409  8459.59  458.112  7540.37  1042.58  235.010   6.3866  219.346   15.676 15.66327 16.92706 
1 1 1   11   20   18 o   80.646   3.8873  993.936   95.685  1024.18  106.965  872.804  214.076   81.738   4.3026   74.709   9.6110 7.029350 10.53009 
1 1 1   11   20   19 o  185.178   3.9362  5240.83  222.477  5348.92  257.306  4920.68  442.835  187.036   4.5072  179.011   8.1049 8.024811 9.273823 
1 1 1   11   20   20 o   94.561   2.9875  1365.80   86.225  1510.02  123.202  1227.34  120.718   99.392   4.0611   89.594   4.4144 9.797966 5.998342 
1 1 1   11   20   21 o  150.097   4.0470  3443.79  185.407  3518.73  195.175  2750.81  593.502  151.710   4.2149  131.996   14.998 19.71495 15.57874 
1 1 1   11   20   22 o  250.967   5.2098  9638.95  399.072  9580.48  420.003 10182.15  1280.12  250.164   5.5006  254.234   16.588 -4.069595 17.47594 
1 1 1   11   20   23 o  182.464   4.6371  5092.53  258.251  5092.53  258.251   0.0000   0.0000  182.464   4.6371  ?   ?  0.000000 4.637114 
1 1 1   11   20   24 o  277.825   7.2842 11848.61  617.687 11848.61  617.687   0.0000   0.0000  277.825   7.2842  ?   ?  0.000000 7.284173 
1 1 1   11   20   25 o  100.010   4.6393  1530.20  141.616  1516.13  158.292  1586.64  316.978   99.379   5.2370  100.812   10.453 -1.433029 11.69195 
1 1 1   11   20   26 o  144.392   8.0409  3216.23  352.972  3177.46  626.922  3234.23  427.099  141.764   14.703  144.437   9.7449 -2.673965 17.63887 
1 1 1   11   20   27 o  134.956   9.3318  2822.97  382.032   0.0000   0.0000  2822.97  382.032  ?   ?   134.956   9.3318 0.000000 9.331795 
1 1 1   11   20   28 o  225.919   5.8578  7824.61  403.926   0.0000   0.0000  7824.61  403.926  ?   ?   225.919   5.8578 0.000000 5.857776 
1 1 1   11   20   29 o   23.060   8.4044   66.707   76.784   89.643   83.990 -50.0217  189.477   25.444   8.8398   26.899   11.854 -1.454821 14.78688 
1 1 1   11   20   30 o   96.044   3.8312  1410.82  112.310  1408.59  201.760  1411.83  135.192   95.479   6.9714   96.031   4.6123 -0.5522766 8.359118 
1 1 1   11   20   31 o   47.027   8.6436  351.952  119.495  340.245  181.886  360.842  158.501   45.910   12.599   47.236   11.169 -1.326263 16.83684 
1 1 1   11   20   32 o  165.941   4.7496  4218.54  240.564  4678.26  981.097  4189.14  248.139  168.872   19.386  165.339   4.9170 3.532623 19.99956 
1 1 1   11   20   33 o   97.537   3.2128  1454.62   95.646  1635.65  829.718  1452.18   96.288   95.585   27.161   97.454   3.2371 -1.869247 27.35333 
1 1 1   11   20   34 o   25.779   7.0020  105.757   56.521 -102.6455  190.494  125.875   59.186   25.228   11.440   28.037   6.9509 -2.808918 13.38637 
1 1 1   11   20   35 o  105.392   6.1088  1714.49  195.665  1695.81  217.956  1792.05  444.133  104.661   6.8608  105.266   14.184 -0.6046753 15.75650 
1 1 1   11   20   36 o  162.627   3.4497  4047.55  171.233  4008.65  224.891  4101.21  264.137  161.674   4.5574  163.390   5.2965 -1.715836 6.987278 
1 1 1   11   20   37 o   31.150   6.6199  155.317   60.999  198.705  324.667  153.730   62.105   42.861   16.883   30.969   6.7600 11.89151 18.18588 
1 1 1   11   20   38 o  201.286   9.1121  6325.49  559.819  6505.68  1198.11  6275.17  633.191  194.781   20.458  199.542   10.433 -4.760284 22.96480 
1 1 1   11   20   39 o   83.069   4.2927  1061.64  108.467   0.0000   0.0000  1061.64  108.467  ?   ?    83.069   4.2927 0.000000 4.292680 
1 1 1   11   20   40 o  104.690   4.4371  1683.13  141.783   0.0000   0.0000  1683.13  141.783  ?   ?   104.690   4.4371 0.000000 4.437109 
1 1 1   11   21    0 o  343.120   22.172 18537.42  2299.81 18537.42  2299.81 18537.42  2299.81  343.120   22.172  343.120   22.172 0.000000 0.000000 
1 1 1   11   21    1 o  253.063   6.6453  9810.16  513.289 10105.89  562.996  8353.77  1249.38  256.768   7.1837  230.195   17.923 26.57329 19.30934 
1 1 1   11   21    2 o  198.280   14.946  6146.77  897.873  6146.77  897.873   0.0000   0.0000  198.280   14.946  ?   ?  0.000000 14.94594 
1 1 1   11   21    3 o  275.569   12.210 11736.85  1026.96  9650.45  1430.44 13956.12  1475.28  246.961   19.126  298.639   16.246 -51.67830 25.09452 
1 1 1   11   21    4 o  148.307   5.4462  3365.21  246.531  3365.21  246.531   0.0000   0.0000  148.307   5.4462  ?   ?  0.000000 5.446203 
1 1 1   11   21    6 o  240.493   16.693  9079.77  1217.74   0.0000   0.0000  9079.77  1217.74  ?   ?   240.493   16.693 0.000000 16.69299 
1 1 1   11   21    7 o   53.358   15.658  451.906  271.671   0.0000   0.0000  451.906  271.671  ?   ?    53.358   15.658 0.000000 15.65817 
1 1 1   11   21    8 o  189.156   14.046  5584.08  805.176   0.0000   0.0000  5584.08  805.176  ?   ?   189.156   14.046 0.000000 14.04638 
1 1 1   11   21    9 o  194.838   10.112  5861.25  599.285  6004.13  867.421  5730.77  828.923  195.990   14.605  191.553   14.280 4.437210 20.42650 
1 1 1   11   21   10 o   61.814   4.7276  587.700   88.520  566.784   98.509  675.426  201.748   60.626   5.3794   65.416   10.457 -4.789627 11.75908 
1 1 1   11   21   11 o  165.329   7.8794  4194.93  397.612  4265.96  691.271  4159.81  486.065  165.213   13.836  164.110   9.7476 1.102875 16.92472 
1 1 1   11   21   12 o  191.770   10.095  5680.31  588.780   0.0000   0.0000  5680.31  588.780  ?   ?   191.770   10.095 0.000000 10.09457 
1 1 1   11   21   13 o  133.932   8.9525  2770.06  363.863   0.0000   0.0000  2770.06  363.863  ?   ?   133.932   8.9525 0.000000 8.952543 
1 1 1   11   21   14 o  185.166   5.2324  5246.16  295.717  5263.42  349.750  5202.90  553.815  185.375   6.1814  183.522   9.9238 1.853378 11.69151 
1 1 1   11   21   15 o  189.981   5.1711  5522.47  299.854  5576.38  354.763  5387.62  561.089  190.810   6.0914  186.753   9.8786 4.056702 11.60566 
1 1 1   11   21   16 o  151.356   7.2932  3514.56  336.926  2907.01  604.437  3788.44  405.823  135.791   14.824  156.767   8.5133 -20.97595 17.09492 
1 1 1   11   21   17 o  330.374   8.1469 16769.43  821.510 16400.40  978.720 17649.44  1511.36  326.221   9.8294  336.390   14.720 -10.16864 17.70018 
1 1 1   11   21   18 o  316.817   10.020 15478.42  968.941 16141.77  1420.71 14901.55  1324.88  321.732   14.468  309.320   14.033 12.41135 20.15529 
1 1 1   11   21   19 o  238.011   5.6853  8675.31  413.017  8720.26  483.339  8553.68  795.127  238.477   6.6403  235.204   11.076 3.273117 12.91381 
1 1 1   11   21   20 o  149.108   4.9472  3402.22  225.152  3632.75  1082.05  3391.79  230.191  147.691   24.888  148.870   5.0660 -1.178543 25.39885 
1 1 1   11   21   21 o  134.578   3.8266  2768.60  157.184  2745.57  176.342  2857.67  346.752  133.987   4.3120  136.040   8.3919 -2.053864 9.434869 
1 1 1   11   21   22 o  221.953   5.4693  7544.77  370.521  7885.97  441.678  6734.29  680.736  226.772   6.3812  208.379   10.740 18.39223 12.49230 
1 1 1   11   21   23 o  338.484   7.3120 17600.08  755.428 18201.13  964.961 16648.58  1214.12  343.559   9.2022  327.325   12.153 16.23438 15.24351 
1 1 1   11   21   24 o  362.658   12.756 20491.48  1411.93 22116.45  2469.99 19702.78  1720.79  368.798   22.044  353.578   15.945 15.22070 27.20595 
1 1 1   11   21   25 o   31.888   10.995  143.615  129.826   0.0000   0.0000  143.615  129.826  ?   ?    31.888   10.995 0.000000 10.99528 
1 1 1   11   21   26 o  122.951   6.0356  2318.91  226.502   0.0000   0.0000  2318.91  226.502  ?   ?   122.951   6.0356 0.000000 6.035618 
1 1 1   11   21   27 o  109.517   5.9627  1845.48  198.565  2123.78  973.104  1833.39  202.833  109.397   28.762  109.134   6.1138 0.2636719 29.40479 
1 1 1   11   21   28 o   56.538   3.4936  490.632   59.992  402.511   94.990  549.105   77.378   50.824   6.2554   59.746   4.2713 -8.922691 7.574598 
1 1 1   11   21   29 o  289.901   4.8618 12876.83  430.195 13132.94  514.563 12282.20  784.072  292.535   5.7629  281.726   9.1183 10.80829 10.78675 
1 1 1   11   21   30 o  145.912   3.0796  3254.70  137.150  3408.03  187.873  3079.74  200.680  149.209   4.1253  141.783   4.6373 7.425537 6.206627 
1 1 1   11   21   31 o  114.407   3.6217  2002.60  126.469  2005.81  145.386  1992.64  256.398  114.452   4.1618  113.423   7.4476 1.029434 8.531577 
1 1 1   11   21   32 o  256.074   8.8298 10170.70  690.133 10357.91  1538.36 10123.53  772.199  249.268   20.398  254.941   9.9237 -5.672699 22.68417 
1 1 1   11   21   33 o  140.269   7.1400  3045.00  304.677  3014.41  497.987  3063.30  385.179  137.859   11.953  140.105   9.0557 -2.245300 14.99619 
1 1 1   11   21   34 o  133.154   3.8461  2715.59  156.313  2666.53  171.286  2960.01  382.290  131.892   4.2549  137.576   9.1563 -5.684387 10.09661 
1 1 1   11   21   35 o  149.931   5.2522  3455.64  240.351  3650.14  299.108  3101.15  403.800  153.831   6.3704  140.598   9.4646 13.23212 11.40883 
1 1 1   11   21   36 o  146.635   3.7591  3294.62  168.246  3351.66  254.270  3250.20  224.392  147.529   5.6468  145.408   5.0559 2.120514 7.579475 
1 1 1   11   21   37 o   25.587   6.9013  104.770   55.135   0.0000   0.0000  104.770   55.135  ?   ?    25.587   6.9013 0.000000 6.901330 
1 1 1   11   21   38 f  134.937   8.7756  2859.17  359.464   0.0000   0.0000  2859.17  359.464  ?   ?   134.937   8.7756 0.000000 8.775586 
1 1 1   11   22    0 o  264.824   7.9180 10760.90  638.720 10760.90  638.720 10760.90  638.720  264.824   7.9180  264.824   7.9180 0.000000 0.000000 
1 1 1   11   22    1 o  333.825   8.8858 17134.43  905.385 18574.82  2187.35 16836.63  994.585  341.158   21.110  330.628   9.8556 10.52948 23.29718 
1 1 1   11   22    2 o  149.643   9.3293  3458.75  423.990  4481.71  612.820  2519.47  587.224  169.828   11.898  126.152   15.582 43.67609 19.60486 
1 1 1   11   22    3 o  228.260   6.4908  7983.46  452.213  7959.48  495.650  8102.57  1104.64  227.823   7.1279  227.122   16.038 0.7009430 17.55037 
1 1 1   11   22    4 f  129.751   3.6335  2572.52  143.896  2733.99  203.505  2411.08  203.494  133.686   4.9874  125.524   5.3114 8.162811 7.285923 
1 1 1   11   22    5 o  167.468   13.791  4386.30  698.683  4386.30  698.683   0.0000   0.0000  167.468   13.791  ?   ?  0.000000 13.79147 
1 1 1   11   22    6 o  280.348   8.2834 12074.49  708.801 12074.49  708.801   0.0000   0.0000  280.348   8.2834  ?   ?  0.000000 8.283417 
1 1 1   11   22    7 o  200.100   6.4728  6135.66  395.329  6135.66  395.329   0.0000   0.0000  200.100   6.4728  ?   ?  0.000000 6.472828 
1 1 1   11   22    9 o  276.139   18.493 12083.57  1549.67   0.0000   0.0000 12083.57  1549.67  ?   ?   276.139   18.493 0.000000 18.49314 
1 1 1   11   22   10 o  414.224   26.983 28211.48  3392.88   0.0000   0.0000 28211.48  3392.88  ?   ?   414.224   26.983 0.000000 26.98324 
1 1 1   11   22   11 o  385.339   15.060 23190.54  1771.28   0.0000   0.0000 23190.54  1771.28  ?   ?   385.339   15.060 0.000000 15.06003 
1 1 1   11   22   12 o  291.551   7.3719 13046.16  656.008 12018.64  778.786 15556.29  1217.23  279.411   9.1318  316.649   12.594 -37.23758 15.55661 
1 1 1   11   22   13 o   98.330   7.6005  1493.36  226.339  1278.05  421.089  1580.85  268.411   89.026   16.089  100.988   8.7958 -11.96165 18.33625 
1 1 1   11   22   14 o  186.857   5.6003  5346.76  319.400  5442.31  347.341  4823.54  812.809  188.467   6.0381  174.919   15.381 13.54866 16.52332 
1 1 1   11   22   15 o  222.490   11.248  7679.81  761.367  7014.52  1073.56  8353.02  1079.94  210.472   16.853  230.431   15.444 -19.95885 22.85909 
1 1 1   11   22   16 o  115.639   4.8630  2046.29  171.643  1980.29  189.221  2352.85  407.791  113.719   5.4515  122.851   10.991 -9.131287 12.26915 
1 1 1   11   22   17 o  263.896   6.5579 10681.72  528.221 10635.92  625.262 10795.88  987.175  263.058   7.7874  263.651   12.267 -0.5924072 14.53031 
1 1 1   11   22   18 o   93.937   3.9464  1349.21  113.149  1246.87  130.520  1658.76  226.996   90.141   4.7608  103.682   7.2180 -13.54127 8.646621 
1 1 1   11   22   19 o  211.652   5.6087  6863.33  362.324  7091.37  399.127  5795.08  863.865  215.065   6.0803  191.702   14.881 23.36333 16.07484 
1 1 1   11   22   20 o  382.581   9.0172 22572.58  1052.96 22243.00  1254.89 23356.67  1935.58  378.895   10.851  384.501   16.493 -5.606171 19.74232 
1 1 1   11   22   21 o   75.908   3.8258  883.315   88.355  1054.57  104.669  458.746  164.806   83.032   4.1300   53.546   10.459 29.48660 11.24504 
1 1 1   11   22   22 o  315.527   6.8690 15293.97  661.528 15608.09  844.368 14794.70  1064.50  318.121   8.6960  308.609   11.301 9.512421 14.25960 
1 1 1   11   22   23 o   65.554   4.2564  660.300   84.704  704.427  106.505  584.353  139.726   67.609   5.2011   61.153   7.6534 6.455151 9.253485 
1 1 1   11   22   24 o  212.377   5.0955  6910.84  330.303  7833.35  447.574  5807.55  489.470  225.829   6.4934  194.061   8.2636 31.76772 10.50958 
1 1 1   11   22   25 o   83.922   5.4178  1084.35  138.035  1192.90  242.435  1032.29  167.908   87.344   9.2338   81.663   6.7982 5.680923 11.46636 
1 1 1   11   22   26 o   42.968   5.0921  286.925   65.482  315.655   81.828  235.765  109.195   44.928   6.1269   38.268   9.4135 6.660572 11.23179 
1 1 1   11   22   27 o  218.618   4.8919  7325.64  326.424  7432.24  430.420  7181.34  500.799  219.860   6.4140  215.793   7.6034 4.067581 9.947437 
1 1 1   11   22   28 o  215.943   4.5708  7145.36  301.267  7631.25  397.578  6490.13  461.685  222.878   5.8444  205.141   7.3736 17.73796 9.408819 
1 1 1   11   22   29 o  141.910   3.7104  3082.19  160.712  3427.11  211.573  2611.69  247.105  149.520   4.6360  130.295   6.2135 19.22562 7.752431 
1 1 1   11   22   30 o  191.144   3.3987  5590.25  198.283  5646.24  273.894  5528.59  287.424  191.877   4.6767  189.809   4.9612 2.067596 6.818031 
1 1 1   11   22   31 o  122.554   5.1349  2306.73  192.079  2291.75  230.400  2340.87  347.813  121.823   6.2171  122.218   9.3957 -0.3957214 11.26640 
1 1 1   11   22   32 o   84.659   4.3416  1101.96  111.808  1077.01  115.911  1435.84  423.987   83.660   4.5565   93.146   15.455 -9.485764 16.11264 
1 1 1   11   22   33 o   97.535   10.476  1511.35  306.974  1544.49  395.527  1461.16  486.802   97.303   13.697   92.608   17.870 4.695091 22.51498 
1 1 1   11   22   34 o   86.882   4.3735  1161.39  115.607  1122.36  141.633  1239.31  200.115   85.209   5.4748   89.097   7.4263 -3.887672 9.226255 
1 1 1   11   22   35 o   18.293   6.6664   42.341   48.310 -31.4590  347.077   43.799   48.785   36.732   16.119   18.488   6.7050 18.24368 17.45791 
1 1 1   11   22   36 o   20.500   6.7558   62.315   49.022   0.0000   0.0000   62.315   49.022  ?   ?    20.500   6.7558 0.000000 6.755845 
1 1 1   11   23    0 o  341.855   9.7843 17963.10  1019.02 17963.10  1019.02 17963.10  1019.02  341.855   9.7843  341.855   9.7843 0.000000 0.000000 
1 1 1   11   23    1 o  358.346   10.210 19820.00  1116.78   0.0000   0.0000 19820.00  1116.78  ?   ?   358.346   10.210 0.000000 10.21049 
1 1 1   11   23    2 o  102.793   13.985  1675.10  427.389   0.0000   0.0000  1675.10  427.389  ?   ?   102.793   13.985 0.000000 13.98504 
1 1 1   11   23    3 o  290.493   8.0029 12968.82  709.579 12699.38  779.192 14277.85  1717.46  287.225   8.8880  299.542   18.882 -12.31607 20.86898 
1 1 1   11   23    4 o  217.518   10.674  7311.48  708.671  8026.31  1021.92  6649.27  983.600  226.128   14.890  205.362   15.814 20.76645 21.72041 
1 1 1   11   23    5 o  229.240   6.5014  8057.56  454.897  8531.54  1129.11  7965.73  497.018  232.651   15.998  227.819   7.1477 4.831985 17.52197 
1 1 1   11   23    6 o  165.787   5.0310  4206.48  254.579  4291.38  279.855  3799.15  612.990  167.408   5.4770  155.797   13.010 11.61118 14.11563 
1 1 1   11   23    7 o  136.504   12.220  2913.55  503.737   0.0000   0.0000  2913.55  503.737  ?   ?   136.504   12.220 0.000000 12.21970 
1 1 1   11   23    8 o  249.669   11.145  9648.42  849.327   0.0000   0.0000  9648.42  849.327  ?   ?   249.669   11.145 0.000000 11.14531 
1 1 1   11   23   13 o  146.296   7.5753  3298.33  337.098  3113.96  584.753  3390.09  412.547  140.551   13.809  147.990   9.1785 -7.438538 16.58120 
1 1 1   11   23   14 f  145.636   4.6697  3245.91  207.573  3142.27  240.535  3548.23  410.824  143.215   5.5027  151.453   8.9266 -8.238312 10.48633 
1 1 1   11   23   15 o  131.288   7.2043  2656.23  287.587  2695.42  511.040  2638.07  347.904  130.862   12.965  130.530   8.7834 0.3318329 15.66026 
1 1 1   11   23   16 o  217.198   5.7213  7231.34  379.290  7132.06  449.320  7477.48  707.473  215.500   6.8311  219.705   10.550 -4.204468 12.56848 
1 1 1   11   23   17 o  268.927   10.277 11199.79  843.586 11585.80  1450.97 11002.69  1036.83  269.161   17.761  265.492   12.795 3.668793 21.89013 
1 1 1   11   23   18 o  118.496   4.2297  2148.41  152.978  2191.96  175.425  2010.16  312.566  119.647   4.8037  113.744   9.0788 5.902733 10.27133 
1 1 1   11   23   19 o   92.226   4.3386  1301.70  122.129  1323.64  135.450  1206.33  282.408   92.848   4.7960   87.521   10.801 5.326729 11.81781 
1 1 1   11   23   20 o  202.373   3.6125  6262.90  223.141  5997.24  299.779  6592.98  334.149  197.856   4.9640  207.399   5.2786 -9.542786 7.246029 
1 1 1   11   23   21 o  141.303   3.5181  3053.25  151.732  3197.44  178.906  2683.76  286.385  144.553   4.0549  131.876   7.1415 12.67709 8.212377 
1 1 1   11   23   22 o   92.119   7.9919  1318.66  222.482  1748.70  953.433  1293.90  228.798   98.499   29.443   91.178   8.3128 7.321312 30.59359 
1 1 1   11   23   23 o   73.698   8.3469  849.563  184.449  1074.62  926.363  840.272  188.217   80.893   29.236   73.240   8.5824 7.652931 30.46961 
1 1 1   11   23   24 o   73.838   6.7532  846.058  150.514  902.533  923.271  844.516  152.554   76.564   28.910   73.752   6.8554 2.811920 29.71162 
1 1 1   11   23   25 o   20.974   5.7779   69.654   38.169   38.862   69.962   82.704   45.545   20.200   7.8722   22.846   6.3189 -2.645885 10.09453 
1 1 1   11   23   26 o  151.031   3.5122  3490.32  161.906  3676.53  191.525  3024.05  303.073  154.940   4.0499  139.833   7.1247 15.10727 8.195268 
1 1 1   11   23   27 o   28.076   4.8068  124.292   39.709   97.317   72.812  135.711   47.375   25.422   8.2254   29.249   5.5088 -3.826519 9.899686 
1 1 1   11   23   28 o  184.990   4.5055  5248.44  254.394  5309.91  336.142  5166.02  389.197  185.735   5.9294  182.904   6.9716 2.831299 9.152089 
1 1 1   11   23   29 o   77.245   3.8894  916.486   91.407  973.263  118.956  834.631  142.832   79.457   4.9293   73.282   6.4515 6.175301 8.119106 
1 1 1   11   23   30 o  127.882   3.8505  2506.05  150.296  2753.72  184.015  2009.76  260.489  133.952   4.5008  113.621   7.5543 20.33053 8.793438 
1 1 1   11   23   31 o  126.126   7.8068  2480.26  299.056  2297.13  545.767  2558.84  357.505  117.756   15.566  127.580   9.2435 -9.824310 18.10393 
1 1 1   11   23   32 o   66.850   3.1642  684.137   64.563  839.101  110.716  604.289   79.475   73.706   4.9502   62.617   4.1824 11.08876 6.480454 
1 1 1   11   23   33 o   81.100   6.7892  1025.85  166.512  1031.02  406.598  1024.81  182.519   77.004   17.674   80.876   7.4786 -3.871048 19.19089 
1 1 1   11   24    0 o   68.663   5.2178  732.994  107.900  732.994  107.900  732.994  107.900   68.663   5.2178   68.663   5.2178 0.000000 0.000000 
1 1 1   11   24    1 o  203.308   5.9293  6336.61  367.939  6153.50  921.413  6371.34  401.325  197.255   15.427  203.780   6.4524 -6.525055 16.72204 
1 1 1   11   24    2 o  240.538   11.544  8981.78  847.506  9544.01  1209.72  8439.85  1187.69  245.449   16.239  230.342   17.014 15.10716 23.51981 
1 1 1   11   24    3 o  150.211   4.8188  3453.81  220.931  3562.42  241.515  2896.91  546.889  152.518   5.1881  135.596   13.389 16.92233 14.35889 
1 1 1   11   24    4 o  254.102   7.1292  9919.18  552.926 10930.26  1358.31  9718.36  605.351  262.192   17.066  251.330   7.8912 10.86121 18.80223 
1 1 1   11   24    5 o   27.128   6.4337  117.448   52.465   0.0000   0.0000  117.448   52.465  ?   ?    27.128   6.4337 0.000000 6.433747 
1 1 1   11   24    6 o  121.569   11.973  2319.19  438.514   0.0000   0.0000  2319.19  438.514  ?   ?   121.569   11.973 0.000000 11.97341 
1 1 1   11   24    7 o  122.725   11.916  2363.06  440.729   0.0000   0.0000  2363.06  440.729  ?   ?   122.725   11.916 0.000000 11.91599 
1 1 1   11   24    8 o  169.526   7.9627  4423.81  412.014  4697.93  697.138  4276.67  510.761  172.902   13.312  165.948   10.132 6.953873 16.72982 
1 1 1   11   24    9 o  148.494   4.8477  3376.11  219.715  3435.49  241.080  3084.94  533.843  149.750   5.2745  140.111   12.619 9.638733 13.67653 
1 1 1   11   24   10 o  107.860   13.277  1844.65  427.884  1844.65  427.884   0.0000   0.0000  107.860   13.277  ?   ?  0.000000 13.27745 
1 1 1   11   24   11 o  226.027   6.6073  7845.63  455.827  7501.79  493.844  9824.47  1184.72  220.861   7.3258  248.922   15.673 -28.06139 17.30084 
1 1 1   11   24   12 o  228.242   16.067  8287.73  1112.17   0.0000   0.0000  8287.73  1112.17  ?   ?   228.242   16.067 0.000000 16.06720 
1 1 1   11   24   16 o   48.498   5.8288  366.065   84.553  366.065   84.553   0.0000   0.0000   48.498   5.8288  ?   ?  0.000000 5.828750 
1 1 1   11   24   17 o   98.880   11.620  1545.88  344.016  1587.06  413.716  1453.59  619.309   99.445   14.019   92.082   22.277 7.363388 26.32125 
1 1 1   11   24   18 o   99.450   4.0241  1513.73  122.149  1535.19  143.525  1457.35  232.640  100.101   4.6976   96.866   7.9383 3.234390 9.224054 
1 1 1   11   24   19 o  220.670   4.9607  7465.37  334.120  7952.60  420.137  6626.98  551.115  227.505   6.0504  206.928   8.7258 20.57744 10.61824 
1 1 1   11   24   20 o  225.029   8.0904  7826.13  555.684  8664.26  1452.29  7682.38  601.453  227.888   21.119  222.679   8.8492 5.209457 22.89824 
1 1 1   11   24   21 o   78.908   5.5639  960.889  133.146  1135.76  237.430  880.671  160.811   85.042   9.2986   75.258   7.0842 9.784317 11.68971 
1 1 1   11   24   22 o  138.990   3.5139  2956.01  149.070  3078.74  175.912  2643.38  280.769  141.782   4.0650  130.724   7.0630 11.05788 8.149251 
1 1 1   11   24   23 o   24.230   6.9518   92.673   54.093  135.527   62.204 -40.2579  109.556   29.063   7.0781   19.981   8.8981 9.081766 11.36993 
1 1 1   11   24   24 o  134.720   4.0612  2780.83  166.994  2864.02  209.985  2637.69  275.450  136.575   5.0373  130.535   6.9385 6.040390 8.574191 
1 1 1   11   24   25 o  123.024   3.8961  2318.71  146.299  2563.38  171.603  1667.70  279.918  129.291   4.3485  103.114   8.9838 26.17740 9.980866 
1 1 1   11   24   26 o   87.308   3.7202  1167.66   99.138  1282.78  125.449  976.206  161.786   91.432   4.4952   79.215   6.7560 12.21738 8.114831 
1 1 1   11   24   27 o   98.637   3.3697  1489.62  101.450  1599.49  123.563  1262.36  177.709  102.147   3.9632   90.181   6.4998 11.96584 7.612731 
1 1 1   11   24   28 o   43.875   5.9971  302.283   78.208  295.330   87.919  328.645  171.194   43.167   6.9058   44.671   12.208 -1.504486 14.02580 
1 1 1   11   24   29 o  240.094   6.3552  8910.28  465.721  9108.57  513.295  7986.85  1107.67  242.457   6.9361  218.786   16.714 23.67122 18.09577 
1 1 1   11   24   30 o   22.184   7.8959   66.494   67.300   72.320   73.800   37.724  164.008   23.157   8.2656   27.921   11.624 -4.764095 14.26302 
1 1 1   11   25    0 o   45.512   5.2487  329.095   70.391  329.095   70.391  329.095   70.391   45.512   5.2487   45.512   5.2487 0.000000 0.000000 
1 1 1   11   25    1 o   54.586   11.114  479.587  178.879  477.109  259.791  481.822  246.666   54.141   15.133   54.349   14.571 -0.2081146 21.00827 
1 1 1   11   25    2 o   80.231   12.832  1030.76  303.635   0.0000   0.0000  1030.76  303.635  ?   ?    80.231   12.832 0.000000 12.83164 
1 1 1   11   25    3 o   96.580   12.167  1477.97  350.702   0.0000   0.0000  1477.97  350.702  ?   ?    96.580   12.167 0.000000 12.16684 
1 1 1   11   25    4 o   87.188   4.5485  1167.08  120.625   0.0000   0.0000  1167.08  120.625  ?   ?    87.188   4.5485 0.000000 4.548512 
1 1 1   11   25    5 f  133.116   8.9348  2750.77  360.917  2888.09  542.812  2641.95  483.199  135.048   13.343  129.442   12.381 5.605865 18.20272 
1 1 1   11   25    6 o   35.041   7.8880  196.683   82.331  196.683   82.331   0.0000   0.0000   35.041   7.8880  ?   ?  0.000000 7.888046 
1 1 1   11   25    7 o   15.765   6.4590   12.790   49.561   12.790   49.561   0.0000   0.0000   15.765   6.4590  ?   ?  0.000000 6.459039 
1 1 1   11   25    8 o   99.635   12.771  1579.40  379.438  1579.40  379.438   0.0000   0.0000   99.635   12.771  ?   ?  0.000000 12.77100 
1 1 1   11   25    9 o  160.781   5.6751  3966.78  278.500  3966.78  278.500   0.0000   0.0000  160.781   5.6751  ?   ?  0.000000 5.675076 
1 1 1   11   25   10 o  160.764   9.7992  4024.28  478.541  3251.01  618.745  5175.33  754.904  142.755   14.397  180.709   13.791 -37.95323 19.93636 
1 1 1   11   25   11 o   32.191   6.6608  165.211   63.288  160.032   68.222  197.179  169.504   31.615   7.2274   36.795   12.568 -5.180727 14.49809 
1 1 1   11   25   12 o  176.801   5.5182  4797.03  297.785  4774.26  327.290  4906.54  717.666  176.276   6.0831  175.946   13.466 0.3304138 14.77615 
1 1 1   11   25   13 o   54.717   10.025  479.392  161.263  731.410  293.083  369.961  193.127   66.656   14.792   47.692   12.939 18.96369 19.65234 
1 1 1   11   25   15 o   81.172   10.952  1046.85  264.418   0.0000   0.0000  1046.85  264.418  ?   ?    81.172   10.952 0.000000 10.95215 
1 1 1   11   25   16 o   47.670   20.492   48.054  537.410   0.0000   0.0000   48.054  537.410  ?   ?    47.670   20.492 0.000000 20.49211 
1 1 1   11   25   17 o   72.719   22.797  909.802  562.938   0.0000   0.0000  909.802  562.938  ?   ?    72.719   22.797 0.000000 22.79729 
1 1 1   11   25   18 o  230.238   16.776  8643.50  1170.82   0.0000   0.0000  8643.50  1170.82  ?   ?   230.238   16.776 0.000000 16.77626 
1 1 1   11   25   19 o  220.697   16.177  7929.94  1082.12   0.0000   0.0000  7929.94  1082.12  ?   ?   220.697   16.177 0.000000 16.17692 
1 1 1   11   25   20 o  149.540   4.0368  3426.60  184.250  3333.66  204.442  3828.64  425.200  147.419   4.5436  156.601   8.9327 -9.182449 10.02187 
1 1 1   11   25   21 o  155.444   4.7725  3709.47  226.432  3820.50  247.153  3129.35  564.933  157.680   5.1354  139.391   13.445 18.28842 14.39249 
1 1 1   11   25   22 o   30.301   11.576  104.480  149.131  101.736  261.650  105.801  181.498   36.472   14.880   32.264   12.650 4.207691 19.53049 
1 1 1   11   25   23 o  243.035   5.0171  9079.40  372.165  9138.38  392.563  8555.63  1169.78  243.730   5.2770  227.040   17.004 16.68977 17.80393 
1 1 1   11   25   24 o   77.683   9.4097  958.068  218.557  1138.06  358.600  851.694  275.675   82.667   14.753   71.929   13.037 10.73853 19.68803 
1 1 1   11   25   25 o  157.642   5.3493  3826.82  257.385  3775.47  282.533  4077.37  624.071  156.424   5.9177  158.833   12.986 -2.409485 14.27117 
1 1 1   11   25   26 o   37.672   15.542  103.715  289.418  103.715  289.418   0.0000   0.0000   37.672   15.542  ?   ?  0.000000 15.54158 
1 1 1   11   25   27 o   74.917   5.1075  868.156  116.092  868.156  116.092   0.0000   0.0000   74.917   5.1075  ?   ?  0.000000 5.107490 
1 1 1   11   26    2 o   27.061   6.5801  117.200   53.824  241.684  229.405  109.948   55.369   41.265   14.589   26.239   6.8427 15.02593 16.11444 
1 1 1   11   26    3 o   66.618   4.2621  682.495   86.208  615.478  287.462  689.118   90.367   60.920   15.440   66.919   4.4497 -5.998520 16.06828 
1 1 1   11   26    4 o   42.356   4.9894  278.910   63.265  271.283   66.315  356.132  211.014   41.709   5.3311   46.944   13.807 -5.235462 14.80016 
1 1 1   11   26    5 o  125.810   8.5003  2461.80  324.498  2333.58  462.959  2585.64  454.963  121.076   12.718  127.866   11.790 -6.790359 17.34209 
1 1 1   11   26    6 o  178.257   9.6847  4957.10  524.952  4948.41  747.698  4965.55  737.201  176.027   14.033  176.464   13.797 -0.4364319 19.67951 
1 1 1   11   26    7 f   91.769   3.2130  1288.02   89.997  1336.75  129.238  1242.13  125.398   93.389   4.5340   89.903   4.5851 3.485405 6.448223 
1 1 1   11   26    8 o  181.597   14.344  5282.42  788.587  5282.42  788.587   0.0000   0.0000  181.597   14.344  ?   ?  0.000000 14.34411 
1 1 1   11   26    9 o  123.478   5.0278  2339.70  189.488  2339.70  189.488   0.0000   0.0000  123.478   5.0278  ?   ?  0.000000 5.027774 
1 1 1   11   26   10 o  114.719   4.3986  2017.14  154.016  2048.04  168.317  1858.11  381.831  115.550   4.7724  108.104   11.762 7.446556 12.69329 
1 1 1   11   26   11 o   61.664   9.5208  605.287  173.424  636.968  284.365  586.527  218.829   61.816   15.182   59.930   12.373 1.886211 19.58528 
1 1 1   11   26   12 o  133.580   3.6347  2731.65  148.193  2716.30  213.087  2746.03  206.235  132.979   5.2500  133.737   5.0524 -0.7577362 7.286188 
1 1 1   11   26   13 o   82.526   8.5422  1068.51  212.054  1029.45  341.358  1093.06  270.600   78.981   14.701   82.764   10.983 -3.783226 18.35090 
1 1 1   11   26   14 o   34.987   6.3241  194.342   65.048  180.161   71.168  266.317  160.333   33.519   7.1729   40.677   12.054 -7.158024 14.02713 
1 1 1   11   26   15 o   47.484   10.885  368.130  154.381   0.0000   0.0000  368.130  154.381  ?   ?    47.484   10.885 0.000000 10.88459 
1 1 1   11   26   16 o   56.751   11.666  526.567  195.324   0.0000   0.0000  526.567  195.324  ?   ?    56.751   11.666 0.000000 11.66601 
1 1 1   11   26   17 o   71.056   10.996  813.168  230.783   0.0000   0.0000  813.168  230.783  ?   ?    71.056   10.996 0.000000 10.99633 
1 1 1   11   26   18 o   75.201   10.858  908.850  242.016   0.0000   0.0000  908.850  242.016  ?   ?    75.201   10.858 0.000000 10.85847 
1 1 1   11   26   20 o   60.668   10.719  597.263  191.223  742.450  312.249  510.136  241.887   66.033   15.719   55.067   14.274 10.96643 21.23271 
1 1 1   11   26   21 o  168.355   4.9194  4359.61  252.786  4348.74  300.694  4385.80  466.792  167.867   5.8687  167.008   9.1927 0.8590240 10.90634 
1 1 1   11   26   22 o   55.528   8.1053  490.370  133.326  626.802  304.957  458.131  148.244   60.375   16.208   53.260   9.4661 7.114941 18.77002 
1 1 1   11   26   23 o  100.659   3.9264  1554.69  120.634  1653.79  143.007  1310.19  224.624  103.728   4.5170   91.259   8.1500 12.46877 9.318002 
1 1 1   11   27    0 o  355.333   23.687 20691.46  2542.83 20691.46  2542.83 20691.46  2542.83  355.333   23.687  355.333   23.687 0.000000 0.000000 
1 1 1   11   27    1 o  125.787   4.9893  2430.30  191.554  5863.98  561.438  1977.94  203.781  193.766   9.4931  113.180   5.9195 80.58598 11.18747 
1 1 1   11   27    2 o  133.976   5.3444  2759.73  218.546  2759.73  218.546   0.0000   0.0000  133.976   5.3444  ?   ?  0.000000 5.344381 
1 1 1   11   27    3 o  119.493   13.889  2314.76  497.113  2314.76  497.113   0.0000   0.0000  119.493   13.889  ?   ?  0.000000 13.88904 
1 1 1   11   27    4 o   60.987   16.766  629.919  321.768  629.919  321.768   0.0000   0.0000   60.987   16.766  ?   ?  0.000000 16.76565 
1 1 1   11   27    5 o  210.547   6.7376  6847.34  432.983  6847.34  432.983   0.0000   0.0000  210.547   6.7376  ?   ?  0.000000 6.737576 
1 1 1   11   27    6 o   94.938   8.2396  1410.67  236.393  1561.27  344.391  1276.50  325.065   98.743   11.651   88.919   12.307 9.823822 16.94754 
1 1 1   11   27    7 o   75.152   4.2220  868.827   96.452  869.316  103.860  865.765  260.055   75.125   4.5510   73.015   12.092 2.109367 12.92023 
1 1 1   11   27    8 o  119.081   4.9366  2178.79  179.426  2178.79  179.426   0.0000   0.0000  119.081   4.9366  ?   ?  0.000000 4.936572 
1 1 1   11   27    9 o  140.795   12.965  3192.50  550.905  3192.50  550.905   0.0000   0.0000  140.795   12.965  ?   ?  0.000000 12.96521 
1 1 1   11   27   10 o   95.915   4.6953  1412.95  137.456  1412.95  137.456   0.0000   0.0000   95.915   4.6953  ?   ?  0.000000 4.695289 
1 1 1   11   27   11 o  111.985   8.2256  1962.12  279.189  2156.72  417.964  1805.33  375.161  115.893   11.989  106.026   11.793 9.866425 16.81682 
1 1 1   11   27   12 o   49.250   4.6451  375.844   69.001  392.944   74.931  280.449  176.982   50.319   4.9425   41.655   12.738 8.664509 13.66288 
1 1 1   11   27   13 o   44.745   11.562  329.965  159.041   0.0000   0.0000  329.965  159.041  ?   ?    44.745   11.562 0.000000 11.56220 
1 1 1   11   27   14 o   97.129   11.108  1513.42  323.381   0.0000   0.0000  1513.42  323.381  ?   ?    97.129   11.108 0.000000 11.10779 
1 1 1   11   27   15 o   41.213   12.200  277.130  164.294   0.0000   0.0000  277.130  164.294  ?   ?    41.213   12.200 0.000000 12.19994 
1 1 1   11   27   16 o  124.113   8.7406  2422.48  328.998  2228.83  497.091  2573.43  438.876  116.200   14.319  126.614   11.481 -10.41457 18.35327 
1 1 1   11   27   17 o   77.831   4.0767  932.329   96.510  978.535  110.393  782.502  198.787   79.659   4.5593   69.917   9.5660 9.742065 10.59696 
1 1 1   11   27   18 o  186.012   7.9937  5401.38  453.843  5812.17  809.474  5213.05  548.092  188.045   14.208  181.394   9.9373 6.650833 17.33851 
1 1 1   11   27   19 o   81.668   10.865  1078.07  264.106   0.0000   0.0000  1078.07  264.106  ?   ?    81.668   10.865 0.000000 10.86482 
1 1 1   11   28    0 o   91.767   5.0042  1300.97  139.210  1300.97  139.210  1300.97  139.210   91.767   5.0042   91.767   5.0042 0.000000 0.000000 
1 1 1   11   28    1 o   59.897   13.352  600.031  237.858  594.251  341.668  605.467  331.336   58.747   17.640   59.270   17.264 -0.5233688 24.68194 
1 1 1   11   28    2 o  115.115   9.6123  2097.52  334.646  2213.88  481.304  1988.62  465.609  116.132   13.852  109.788   14.229 6.343460 19.85818 
1 1 1   11   28    3 o   81.687   3.2139  1021.85   80.132  1280.78  122.448  827.900  105.975   91.316   4.3933   73.224   4.7677 18.09171 6.483178 
1 1 1   11   28    4 o   98.957   8.8424  1544.89  264.262  1745.62  417.769  1410.99  341.196  103.065   13.613   93.132   12.304 9.932877 18.34997 
1 1 1   11   28    5 o   96.876   8.6845  1479.67  254.065  1721.12  396.949  1312.12  330.667  102.644   12.959   89.699   12.410 12.94505 17.94297 
1 1 1   11   28    6 o  140.991   5.4054  3064.09  232.614  3064.09  232.614   0.0000   0.0000  140.991   5.4054  ?   ?  0.000000 5.405372 
1 1 1   11   28    8 o   78.484   5.0182  952.132  119.583  952.132  119.583   0.0000   0.0000   78.484   5.0182  ?   ?  0.000000 5.018220 
1 1 1   11   28    9 o  183.371   6.1381  5200.49  343.542  5200.49  343.542   0.0000   0.0000  183.371   6.1381  ?   ?  0.000000 6.138092 
1 1 1   11   28   10 o  124.852   11.988  2521.77  451.226   0.0000   0.0000  2521.77  451.226  ?   ?   124.852   11.988 0.000000 11.98816 
1 1 1   11   28   11 o  152.647   12.938  3796.95  597.121   0.0000   0.0000  3796.95  597.121  ?   ?   152.647   12.938 0.000000 12.93789 
1 1 1   11   28   12 o  201.109   15.380  6748.61  936.888   0.0000   0.0000  6748.61  936.888  ?   ?   201.109   15.380 0.000000 15.37955 
1 1 1   12    0    0 o   57.809   20.976  678.674  340.068  678.674  340.068  678.674  340.068   57.809   20.976   57.809   20.976 0.000000 0.000000 
1 1 1   12    0    1 o   93.836   6.1528  1361.53  174.483  1361.53  174.483  1361.53  174.483   93.836   6.1528   93.836   6.1528 0.000000 0.000000 
1 1 1   12    0    2 o  604.312   10.915 55852.76  2011.80 55852.76  2011.80 55852.76  2011.80  604.312   10.915  604.312   10.915 0.000000 0.000000 
1 1 1   12    0    3 o  514.166   17.913 40620.59  2803.45 40620.59  2803.45 40620.59  2803.45  514.166   17.913  514.166   17.913 0.000000 0.000000 
1 1 1   12    0    4 o   94.084   10.289  1400.05  286.480  1400.05  286.480  1400.05  286.480   94.084   10.289   94.084   10.289 0.000000 0.000000 
1 1 1   12    0    5 o  199.290   10.422  6117.45  629.982  6117.45  629.982  6117.45  629.982  199.290   10.422  199.290   10.422 0.000000 0.000000 
1 1 1   12    0    6 o  366.599   15.169 20664.44  1690.71 20664.44  1690.71 20664.44  1690.71  366.599   15.169  366.599   15.169 0.000000 0.000000 
1 1 1   12    0    7 o  534.075   32.750 44513.36  5292.66 44513.36  5292.66 44513.36  5292.66  534.075   32.750  534.075   32.750 0.000000 0.000000 
1 1 1   12    0    8 o  220.789   7.1264  7466.88  479.114  7466.88  479.114  7466.88  479.114  220.789   7.1264  220.789   7.1264 0.000000 0.000000 
1 1 1   12    0    9 o  360.495   10.270 19905.22  1127.98 19905.22  1127.98 19905.22  1127.98  360.495   10.270  360.495   10.270 0.000000 0.000000 
1 1 1   12    0   10 o  247.781   7.6667  9403.16  578.562  9403.16  578.562  9403.16  578.562  247.781   7.6667  247.781   7.6667 0.000000 0.000000 
1 1 1   12    0   11 o  130.486   4.9949  2610.69  198.270  2610.69  198.270  2610.69  198.270  130.486   4.9949  130.486   4.9949 0.000000 0.000000 
1 1 1   12    0   12 o  505.922   9.2103 39145.51  1421.19 39145.51  1421.19 39145.51  1421.19  505.922   9.2103  505.922   9.2103 0.000000 0.000000 
1 1 1   12    0   13 o  372.100   9.1492 21194.06  1037.69 21194.06  1037.69 21194.06  1037.69  372.100   9.1492  372.100   9.1492 0.000000 0.000000 
1 1 1   12    0   14 o   36.811   18.951  303.829  272.082  303.829  272.082  303.829  272.082   36.811   18.951   36.811   18.951 0.000000 0.000000 
1 1 1   12    0   15 o  180.617   5.8449  4996.99  321.454  4996.99  321.454  4996.99  321.454  180.617   5.8449  180.617   5.8449 0.000000 0.000000 
1 1 1   12    0   16 o  210.795   4.8613  6794.87  312.398  6794.87  312.398  6794.87  312.398  210.795   4.8613  210.795   4.8613 0.000000 0.000000 
1 1 1   12    0   17 o  798.277   20.419 98208.80  4967.85 98208.80  4967.85 98208.80  4967.85  798.277   20.419  798.277   20.419 0.000000 0.000000 
1 1 1   12    0   18 o  202.776   6.1472  6297.20  379.673  6297.20  379.673  6297.20  379.673  202.776   6.1472  202.776   6.1472 0.000000 0.000000 
1 1 1   12    0   19 o  184.355   4.1794  5196.75  234.901  5196.75  234.901  5196.75  234.901  184.355   4.1794  184.355   4.1794 0.000000 0.000000 
1 1 1   12    0   20 o  393.782   8.1366 23730.91  977.009 23730.91  977.009 23730.91  977.009  393.782   8.1366  393.782   8.1366 0.000000 0.000000 
1 1 1   12    0   21 o  404.400   6.6990 25005.63  826.359 25005.63  826.359 25005.63  826.359  404.400   6.6990  404.400   6.6990 0.000000 0.000000 
1 1 1   12    0   22 o   67.364   5.9486  709.199  120.116  709.199  120.116  709.199  120.116   67.364   5.9486   67.364   5.9486 0.000000 0.000000 
1 1 1   12    0   23 o  129.288   5.4819  2566.66  215.440  2566.66  215.440  2566.66  215.440  129.288   5.4819  129.288   5.4819 0.000000 0.000000 
1 1 1   12    0   24 o  510.787   31.898 41362.89  4928.58 41362.89  4928.58 41362.89  4928.58  510.787   31.898  510.787   31.898 0.000000 0.000000 
1 1 1   12    0   25 o  228.412   5.1159  7979.88  356.257  7979.88  356.257  7979.88  356.257  228.412   5.1159  228.412   5.1159 0.000000 0.000000 
1 1 1   12    0   26 f  558.288   23.177 48555.54  3933.89 48555.54  3933.89 48555.54  3933.89  558.288   23.177  558.288   23.177 0.000000 0.000000 
1 1 1   12    0   27 o  196.326   5.9941  5905.10  358.427  5905.10  358.427  5905.10  358.427  196.326   5.9941  196.326   5.9941 0.000000 0.000000 
1 1 1   12    0   28 o   69.975   9.1920  786.864  186.931  786.864  186.931  786.864  186.931   69.975   9.1920   69.975   9.1920 0.000000 0.000000 
1 1 1   12    0   29 o  354.555   7.1311 19239.79  771.010 19239.79  771.010 19239.79  771.010  354.555   7.1311  354.555   7.1311 0.000000 0.000000 
1 1 1   12    0   30 o  177.905   8.3063  4872.85  448.798  4872.85  448.798  4872.85  448.798  177.905   8.3063  177.905   8.3063 0.000000 0.000000 
1 1 1   12    0   31 o  241.123   7.3837  8914.52  542.257  8914.52  542.257  8914.52  542.257  241.123   7.3837  241.123   7.3837 0.000000 0.000000 
1 1 1   12    0   32 o  111.147   11.093  1948.93  367.740  1948.93  367.740  1948.93  367.740  111.147   11.093  111.147   11.093 0.000000 0.000000 
1 1 1   12    0   33 o  468.487   29.321 34911.13  4155.01 34911.13  4155.01 34911.13  4155.01  468.487   29.321  468.487   29.321 0.000000 0.000000 
1 1 1   12    0   36 o   45.356   12.534  379.078  150.067  379.078  150.067  379.078  150.067   45.356   12.534   45.356   12.534 0.000000 0.000000 
1 1 1   12    0   37 o   78.479   4.0514  948.008   96.456  948.008   96.456  948.008   96.456   78.479   4.0514   78.479   4.0514 0.000000 0.000000 
1 1 1   12    0   38 o  446.667   7.1846 30532.50  978.923 30532.50  978.923 30532.50  978.923  446.667   7.1846  446.667   7.1846 0.000000 0.000000 
1 1 1   12    0   39 o   23.205   13.941   83.484  177.965   83.484  177.965   83.484  177.965   23.205   13.941   23.205   13.941 0.000000 0.000000 
1 1 1   12    0   40 o  410.817   10.814 25935.95  1353.88 25935.95  1353.88 25935.95  1353.88  410.817   10.814  410.817   10.814 0.000000 0.000000 
1 1 1   12    0   41 o   42.355   16.243  375.220  198.454  375.220  198.454  375.220  198.454   42.355   16.243   42.355   16.243 0.000000 0.000000 
1 1 1   12    0   42 o  198.225   5.7371  6020.81  346.453  6020.81  346.453  6020.81  346.453  198.225   5.7371  198.225   5.7371 0.000000 0.000000 
1 1 1   12    0   43 o   26.149   11.708  151.616   99.558  151.616   99.558  151.616   99.558   26.149   11.708   26.149   11.708 0.000000 0.000000 
1 1 1   12    0   44 o   99.678   4.0855  1525.27  123.823  1525.27  123.823  1525.27  123.823   99.678   4.0855   99.678   4.0855 0.000000 0.000000 
1 1 1   12    0   45 o  393.374   9.1845 23768.51  1101.40 23768.51  1101.40 23768.51  1101.40  393.374   9.1845  393.374   9.1845 0.000000 0.000000 
1 1 1   12    0   46 o   65.260   16.912  776.015  291.119  776.015  291.119  776.015  291.119   65.260   16.912   65.260   16.912 0.000000 0.000000 
1 1 1   12    0   47 o  112.417   5.3346  1945.35  182.101  1945.35  182.101  1945.35  182.101  112.417   5.3346  112.417   5.3346 0.000000 0.000000 
1 1 1   12    0   48 o  128.027   3.7415  2510.50  145.923  2510.50  145.923  2510.50  145.923  128.027   3.7415  128.027   3.7415 0.000000 0.000000 
1 1 1   12    0   49 o   20.012   10.387   89.866   82.208   89.866   82.208   89.866   82.208   20.012   10.387   20.012   10.387 0.000000 0.000000 
1 1 1   12    0   50 o  125.748   5.7959  2436.19  221.376  2436.19  221.376  2436.19  221.376  125.748   5.7959  125.748   5.7959 0.000000 0.000000 
1 1 1   12    0   51 o  189.332   10.468  5584.45  600.688  5584.45  600.688  5584.45  600.688  189.332   10.468  189.332   10.468 0.000000 0.000000 
1 1 1   12    0   52 o  163.133   5.0074  4085.15  248.795  4085.15  248.795  4085.15  248.795  163.133   5.0074  163.133   5.0074 0.000000 0.000000 
1 1 1   12    0   53 o   20.747   8.7456   93.589   55.857   93.589   55.857   93.589   55.857   20.747   8.7456   20.747   8.7456 0.000000 0.000000 
1 1 1   12    0   54 o   12.573   7.7716   17.906   58.829   17.906   58.829   17.906   58.829   12.573   7.7716   12.573   7.7716 0.000000 0.000000 
1 1 1   12    1    0 o  270.285   12.413 11236.06  1019.14 11236.06  1019.14 11236.06  1019.14  270.285   12.413  270.285   12.413 0.000000 0.000000 
1 1 1   12    1    1 o  651.024   13.448 64890.21  2672.17 63626.67  3043.78 69137.75  5580.71  644.319   15.477  668.636   27.345 -24.31653 31.42152 
1 1 1   12    1    2 o   69.623   13.427  767.237  274.990  1187.80  491.703  575.831  331.716   86.265   19.172   60.510   17.167 25.75487 25.73438 
1 1 1   12    1    3 o   64.350   9.8704  647.700  187.677  658.939  298.414  640.345  241.394   64.292   15.408   63.541   12.888 0.7517357 20.08733 
1 1 1   12    1    4 o  1062.73   13.476 172932.00  4371.33 173417.59  6182.06 172446.50  6181.92  1062.46   19.064  1059.46   19.117 2.998657 26.99785 
1 1 1   12    1    5 o  147.968   5.0757  3342.95  229.233  3754.74  747.540  3300.21  240.836  155.682   15.957  147.015   5.3672 8.667770 16.83564 
1 1 1   12    1    6 o   90.497   3.6717  1250.18  101.419  1375.48  522.906  1245.28  103.382   92.942   19.072   90.320   3.7501 2.622360 19.43748 
1 1 1   12    1    7 o  134.933   3.2263  2779.16  132.872  2713.10  237.068  2809.41  160.442  133.289   5.8272  135.660   3.8748 -2.370331 6.997887 
1 1 1   12    1    8 o   35.274   12.235  170.471  160.876  222.293  206.524   90.498  256.557   40.132   13.866   36.808   14.837 3.324139 20.30770 
1 1 1   12    1    9 o  548.618   15.474 46163.99  2591.18 45385.23  3660.56 46946.10  3668.42  542.562   22.104  551.896   21.777 -9.333191 31.03000 
1 1 1   12    1   10 o  522.434   9.0489 41728.42  1442.92 42699.13  1882.31 40345.17  2246.97  528.159   11.676  513.002   14.350 15.15668 18.50055 
1 1 1   12    1   11 o  287.223   5.7863 12599.78  507.264 13067.83  684.898 12031.05  754.970  292.423   7.6736  280.522   8.8175 11.90125 11.68898 
1 1 1   12    1   12 o  144.183   5.0353  3174.58  221.595  3464.39  488.190  3099.38  248.690  150.076   10.728  142.452   5.7197 7.623276 12.15786 
1 1 1   12    1   13 o  450.461   15.199 31154.16  2089.79 30683.63  2557.67 32099.19  3624.72  446.343   18.774  453.824   26.280 -7.480865 32.29744 
1 1 1   12    1   14 o  431.267   7.5999 28430.28  1000.40 29303.99  1352.44 27374.61  1486.61  437.571   10.126  422.743   11.521 14.82806 15.33898 
1 1 1   12    1   15 o  333.101   6.0493 16951.75  615.033 17754.73  868.186 16142.81  871.399  340.730   8.3481  324.858   8.7883 15.87189 12.12126 
1 1 1   12    1   16 o  295.586   4.5297 13342.59  408.671 12772.93  507.790 14389.96  688.529  289.148   5.7537  306.803   7.3527 -17.65436 9.336324 
1 1 1   12    1   17 o  300.175   4.8745 13762.29  446.602 13579.44  728.810 13872.24  565.138  297.967   8.0136  301.299   6.1452 -3.331940 10.09863 
1 1 1   12    1   18 o  384.996   6.2036 22652.35  728.985 22815.73  1131.38 22536.37  953.236  386.000   9.6030  383.813   8.1370 2.187195 12.58680 
1 1 1   12    1   19 f  337.854   5.1103 17437.77  526.976 17231.07  675.127 17760.07  843.049  335.732   6.5883  340.698   8.1071 -4.965729 10.44659 
1 1 1   12    1   20 o  280.931   5.2993 12058.50  454.396 12571.38  974.491 11916.00  513.655  286.272   11.153  279.219   6.0271 7.053345 12.67715 
1 1 1   12    1   21 o  290.224   4.9535 12868.23  438.800 12696.41  573.789 13110.25  681.009  288.167   6.5236  292.727   7.6221 -4.559753 10.03265 
1 1 1   12    1   22 f  238.252   6.4561  8679.22  469.484  8402.76  1268.53  8723.09  505.370  232.271   18.035  238.819   6.9330 -6.548004 19.32141 
1 1 1   12    1   23 o  145.940   5.3637  3254.79  238.922  3216.16  254.971  3532.99  684.254  145.056   5.7589  150.617   15.087 -5.561218 16.14881 
1 1 1   12    1   24 o  199.550   3.4885  6080.62  212.474  6130.27  254.938  5967.70  384.485  200.337   4.1692  197.551   6.3765 2.786606 7.618565 
1 1 1   12    1   25 o  250.891   5.7850  9622.69  443.006  9742.40  761.967  9561.57  544.489  252.034   9.9051  249.983   7.1361 2.051682 12.20800 
1 1 1   12    1   26 o   37.168   4.0880  213.557   45.610  211.357   58.171  217.069   73.483   36.807   5.3334   37.099   6.7376 -0.2922630 8.593087 
1 1 1   12    1   27 o  201.363   5.3092  6197.47  326.305  6688.88  653.470  6034.24  376.619  208.755   10.256  198.637   6.2119 10.11859 11.99041 
1 1 1   12    1   28 o  290.264   5.1712 12877.50  458.142 12698.23  673.136 13032.21  625.325  287.977   7.6582  291.817   7.0207 -3.839722 10.38933 
1 1 1   12    1   29 o  375.233   7.5635 21559.79  866.241 21792.21  1564.68 21457.06  1040.19  375.837   13.640  374.056   9.1109 1.780975 16.40285 
1 1 1   12    1   30 o  138.545   3.7762  2931.86  159.685  2851.70  219.137  3022.63  233.172  136.582   5.2566  140.608   5.4331 -4.025879 7.559790 
1 1 1   12    1   31 f  168.351   5.1119  4332.35  262.674  4287.23  280.839  4647.75  742.425  167.451   5.4948  172.870   14.196 -5.420074 15.22235 
1 1 1   12    1   32 o  273.265   5.4100 11417.30  451.233 11558.91  610.950 11247.33  669.315  274.746   7.2855  270.911   8.0944 3.835388 10.89027 
1 1 1   12    1   33 o  148.855   4.8718  3386.74  221.344  3386.74  221.344   0.0000   0.0000  148.855   4.8718  ?   ?  0.000000 4.871785 
1 1 1   12    1   34 o  453.422   7.1972 31482.39  996.053 31940.37  1721.40 31251.88  1221.27  455.196   12.390  451.364   8.8648 3.832153 15.23456 
1 1 1   12    1   35 o  196.302   8.4950  5908.88  508.983  6108.04  828.124  5787.97  645.245  198.360   13.763  193.676   10.960 4.684265 17.59409 
1 1 1   12    1   36 o  180.090   5.2900  4958.79  290.777  4633.88  716.622  5022.82  318.144  172.649   13.712  181.218   5.7518 -8.568726 14.86945 
1 1 1   12    1   37 o  241.652   3.6578  8919.91  269.791  9095.31  511.105  8852.16  317.651  243.737   6.8702  240.689   4.3239 3.048050 8.117665 
1 1 1   12    1   38 o  127.268   3.1280  2473.56  121.508  2551.35  159.109  2364.71  188.210  129.225   4.0340  124.372   4.9580 4.852219 6.391729 
1 1 1   12    1   39 o  258.991   6.4528 10267.36  510.094 11363.03  1422.77 10105.75  546.419  269.424   17.394  256.881   6.9691 12.54239 18.73853 
1 1 1   12    1   40 o  254.088   3.6953  9862.79  286.580 10877.34  537.487  9459.80  338.747  266.536   6.6068  248.784   4.4610 17.75218 7.971906 
1 1 1   12    1   41 o   40.458   8.7382  260.936  104.751  252.841  123.503  281.688  197.744   39.785   10.140   42.910   13.521 -3.124241 16.90104 
1 1 1   12    1   42 o   86.970   3.6991  1155.65   98.195  1226.72  141.232  1089.14  136.620   89.405   5.1980   84.210   5.3430 5.194618 7.454329 
1 1 1   12    1   43 o  168.142   4.2150  4321.40  216.314  4285.86  436.543  4332.96  249.038  166.815   8.6031  168.324   4.8473 -1.508621 9.874735 
1 1 1   12    1   44 o  268.081   4.8075 10991.98  393.374 11292.36  575.944 10729.32  538.565  271.394   6.9528  264.590   6.6688 6.803802 9.634044 
1 1 1   12    1   45 o  220.751   4.1116  7449.87  277.032  7882.42  440.072  7165.94  356.545  226.796   6.3573  216.368   5.3989 10.42818 8.340438 
1 1 1   12    1   46 o  228.968   4.3357  8017.63  303.004  8271.75  406.780  7700.88  454.146  232.385   5.7350  224.084   6.6400 8.301834 8.773815 
1 1 1   12    1   47 f  327.264   7.6101 16460.61  760.163 17058.39  1223.57 16084.84  970.093  331.380   12.097  322.742   9.8478 8.637268 15.59877 
1 1 1   12    1   48 o  193.293   4.2072  5715.55  248.212  5932.91  472.636  5632.77  291.671  196.346   7.8866  191.796   4.9824 4.549850 9.328544 
1 1 1   12    1   49 o   81.529   3.8439  1016.66   95.652  973.405  102.875  1292.64  259.868   79.644   4.2473   90.942   9.5025 -11.29797 10.40847 
1 1 1   12    1   50 o  121.667   2.9017  2262.33  107.756  2248.94  136.878  2284.16  174.746  121.252   3.6985  122.112   4.6885 -0.8597183 5.971674 
1 1 1   12    1   51 o   60.549   3.2499  562.249   59.842  546.025  110.114  569.050   71.288   59.284   6.1760   60.855   3.8579 -1.570896 7.281976 
1 1 1   12    1   52 o  125.671   3.7730  2417.67  144.725  2367.92  215.889  2458.27  195.039  124.127   5.6983  126.569   5.0487 -2.441132 7.613129 
1 1 1   12    1   53 o   55.756   4.0058  478.683   67.716  476.194  100.895  480.724   91.345   55.290   6.0791   55.666   5.4460 -0.3760643 8.161760 
1 1 1   12    1   54 o   77.111   6.2683  922.753  146.255  963.787  219.906  890.206  195.850   78.030   9.4242   75.154   8.6988 2.876503 12.82510 
1 1 1   12    2    0 o  458.855   11.759 32240.04  1644.40 32240.04  1644.40 32240.04  1644.40  458.855   11.759  458.855   11.759 0.000000 0.000000 
1 1 1   12    2    1 o  441.328   7.7056 29756.40  1037.97 31988.85  2597.02 29331.99  1132.34  456.388   18.643  438.121   8.4677 18.26758 20.47626 
1 1 1   12    2    2 o  403.984   8.2910 24938.11  1022.33 25074.52  1163.66 24476.65  2140.32  405.014   9.4132  399.354   17.559 5.659882 19.92313 
1 1 1   12    2    3 o  592.161   10.565 53624.40  1909.45 54946.65  2701.22 52303.82  2699.52  598.828   14.779  584.191   15.140 14.63678 21.15709 
1 1 1   12    2    4 o  178.197   4.3685  4847.78  237.600  4921.78  357.188  4789.05  318.215  179.513   6.5191  177.089   5.8873 2.424149 8.783947 
1 1 1   12    2    5 o  666.219   15.905 68062.84  3234.21 82559.05  5939.82 61953.89  3855.93  730.585   26.637  634.756   19.902 95.82904 33.25109 
1 1 1   12    2    6 o  620.920   17.897 59205.65  3391.74 60781.81  4796.88 57629.81  4796.40  627.265   25.055  610.580   25.737 16.68445 35.91835 
1 1 1   12    2    7 o  330.527   6.2837 16685.69  633.922 17791.10  2141.21 16579.49  663.674  339.348   20.773  329.460   6.5999 9.887909 21.79597 
1 1 1   12    2    8 o  309.078   7.3164 14595.06  690.213 14478.77  795.346 14949.78  1389.07  307.786   8.4662  312.298   14.573 -4.511505 16.85344 
1 1 1   12    2    9 o  821.950   17.413 103780.70  4368.56 103616.80  5074.75 104249.70  8584.79  820.353   20.267  816.085   34.465 4.268066 39.98245 
1 1 1   12    2   10 o  323.759   7.2301 16015.63  714.471 15860.08  761.804 17152.02  2059.04  322.154   7.7475  333.081   20.351 -10.92691 21.77585 
1 1 1   12    2   11 o  158.979   4.9308  3859.40  239.264  3859.40  239.264   0.0000   0.0000  158.979   4.9308  ?   ?  0.000000 4.930834 
1 1 1   12    2   12 o  584.679   12.288 52369.48  2192.81 54877.63  3523.18 50783.52  2801.59  596.839   19.340  575.005   15.963 21.83453 25.07709 
1 1 1   12    2   13 o  238.446   4.6392  8681.98  337.640  8609.20  443.168  8782.68  521.276  237.394   6.1162  239.730   7.1241 -2.336868 9.389368 
1 1 1   12    2   14 o  135.727   2.9590  2812.07  122.580  2674.92  192.752  2905.20  158.838  132.349   4.7716  137.945   3.7725 -5.596115 6.082736 
1 1 1   12    2   15 o  229.645   4.5081  8053.27  315.987  7640.85  443.716  8477.64  450.099  223.612   6.5012  235.549   6.2605 -11.93755 9.025482 
1 1 1   12    2   16 f  354.609   7.3143 19224.32  791.663 18893.18  898.599 20372.50  1673.28  351.445   8.3770  364.009   15.060 -12.56384 17.23346 
1 1 1   12    2   17 o  439.023   6.4142 29457.18  859.500 28368.55  1333.41 30231.03  1124.22  430.365   10.151  444.536   8.2857 -14.17178 13.10326 
1 1 1   12    2   18 o  179.489   3.7104  4919.14  203.270  4975.71  274.284  4850.21  302.754  180.481   4.9791  178.169   5.5672 2.311386 7.468975 
1 1 1   12    2   19 o  146.713   2.9119  3286.03  130.395  3331.86  169.945  3220.43  203.326  147.716   3.7693  145.205   4.5877 2.511047 5.937575 
1 1 1   12    2   20 o  418.956   8.2965 26864.83  1060.91 26539.73  1307.84 27490.42  1814.21  416.088   10.298  422.661   14.063 -6.573181 17.43038 
1 1 1   12    2   21 o  185.093   4.2257  5232.51  238.730  4855.66  833.907  5266.15  249.158  176.756   15.618  185.681   4.3963 -8.924728 16.22467 
1 1 1   12    2   22 o  134.987   3.0852  2782.01  127.115  2683.29  184.657  2870.92  175.248  132.536   4.5647  137.102   4.1879 -4.565857 6.194764 
1 1 1   12    2   23 o  194.507   5.0679  5780.83  300.873  5571.73  597.655  5851.82  348.216  190.315   10.327  195.659   5.8308 -5.344589 11.85975 
1 1 1   12    2   24 o  248.689   4.8542  9449.42  368.462  9381.26  383.687 10257.57  1321.13  247.777   5.0734  256.904   16.944 -9.126907 17.68682 
1 1 1   12    2   25 o  200.901   4.3563  6165.58  267.127  6122.86  278.224  6669.29  955.366  200.195   4.5533  207.285   15.206 -7.090347 15.87345 
1 1 1   12    2   26 o   61.297   3.8099  576.057   70.927  559.404   93.536  598.586  108.797   60.284   5.1323   62.306   5.7871 -2.022045 7.735080 
1 1 1   12    2   27 o  258.588   7.2462 10234.35  571.918 10234.35  571.918   0.0000   0.0000  258.588   7.2462  ?   ?  0.000000 7.246162 
1 1 1   12    2   28 o  303.881   6.2177 14123.78  576.700 15068.30  1849.48 14022.06  606.961  310.247   19.632  302.746   6.5685 7.501160 20.70199 
1 1 1   12    2   29 f  192.076   4.3587  5636.64  255.533  5634.91  344.826  5638.75  380.569  191.958   5.8854  191.980   6.4947 -0.2267456E-01 8.764660 
1 1 1   12    2   30 o  333.080   7.7884 16993.71  791.801 16780.71  918.596 17609.48  1561.86  330.763   9.0989  337.328   15.170 -6.564178 17.68915 
1 1 1   12    2   31 o  136.989   4.2748  2867.17  178.739  2824.88  378.950  2879.27  202.703  135.382   9.2257  137.255   4.8385 -1.873169 10.41754 
1 1 1   12    2   32 o  154.993   3.5936  3669.21  170.004  3757.08  245.689  3588.49  235.479  156.771   5.1346  153.218   5.0353 3.552811 7.191516 
1 1 1   12    2   33 o  282.030   4.9077 12157.84  422.463 12269.19  911.715 12127.40  476.732  282.515   10.573  281.616   5.5463 0.8999023 11.93944 
1 1 1   12    2   34 o  184.716   2.8033  5209.79  158.046  5250.27  248.997  5182.47  204.529  185.362   4.4011  184.198   3.6379 1.163544 5.709970 
1 1 1   12    2   35 o  401.372   14.372 24922.07  1760.72 26449.84  3028.35 24141.90  2164.08  407.669   24.451  393.524   18.017 14.14539 30.37191 
1 1 1   12    2   36 o  122.033   4.4709  2275.75  166.529  2308.00  187.044  2152.45  365.728  122.875   4.9873  117.908   10.265 4.966537 11.41224 
1 1 1   12    2   37 o  195.618   5.1763  5850.56  309.062  5880.65  621.207  5840.67  356.286  195.300   10.459  195.394   5.9741 -0.9397888E-01 12.04508 
1 1 1   12    2   38 o  250.176   6.2996  9578.21  481.032  9710.01  572.081  9260.16  888.700  251.753   7.4450  245.121   11.878 6.632111 14.01871 
1 1 1   12    2   39 o  178.111   5.3284  4851.38  289.673  5668.00  906.758  4758.56  305.691  190.397   15.744  176.375   5.6784 14.02235 16.73717 
1 1 1   12    2   40 o  154.404   3.1723  3641.14  149.504  3921.36  279.811  3529.18  176.867  160.098   5.7261  151.986   3.8126 8.112061 6.879294 
1 1 1   12    2   41 o  232.842   5.5805  8294.41  396.596  8378.32  484.212  8123.40  691.275  233.879   6.7831  229.828   9.8544 4.050995 11.96329 
1 1 1   12    2   42 o  235.805   3.9467  8496.95  284.059  8595.16  383.292  8377.28  423.090  237.039   5.2978  233.946   5.9252 3.093018 7.948196 
1 1 1   12    2   43 o  144.314   3.1554  3181.20  138.988  3333.64  237.056  3101.35  171.571  147.614   5.2615  142.455   3.9459 5.158493 6.576731 
1 1 1   12    2   44 o  191.127   3.3689  5580.93  196.528  5910.34  345.032  5422.73  239.107  196.481   5.7534  188.345   4.1593 8.136581 7.099358 
1 1 1   12    2   45 o  302.148   4.1341 13957.23  381.254 14236.57  526.879 13650.20  552.373  304.921   5.6612  298.502   6.0627 6.418335 8.294916 
1 1 1   12    2   46 o  228.185   4.3742  7963.44  304.653  8125.86  412.486  7768.50  451.894  230.302   5.8681  225.069   6.5782 5.233093 8.815112 
1 1 1   12    2   47 o  105.137   3.5409  1689.55  113.628  1751.54  153.087  1613.50  169.561  106.986   4.6881  102.493   5.4397 4.493080 7.181095 
1 1 1   12    2   48 o   96.343   2.3445  1417.60   68.943  1650.95   97.816  1187.24   97.187  103.942   3.0832   88.123   3.6133 15.81905 4.749944 
1 1 1   12    2   49 f   28.668   7.3242  131.278   64.323  142.622   91.366  120.132   90.571   30.258   9.1302   28.311   9.1752 1.946737 12.94391 
1 1 1   12    2   50 o  389.708   9.1202 23510.53  1084.83 23995.52  1173.39 20656.34  2846.52  393.293   9.7748  345.809   27.188 47.48346 28.89172 
1 1 1   12    2   51 o   46.422   4.7176  333.669   65.915  371.793   99.799  304.171   87.787   48.660   6.9140   43.952   6.7605 4.707680 9.669957 
1 1 1   12    2   52 o   84.251   4.5822  1091.44  117.390  1167.15  266.252  1073.18  130.788   85.868   10.369   83.457   5.1597 2.410728 11.58162 
1 1 1   12    2   53 o  164.710   7.7486  4200.88  389.546  4530.50  668.148  4031.15  479.468  168.362   13.105  160.360   9.8435 8.001526 16.39036 
1 1 1   12    2   54 o   56.753   7.9448  509.021  133.850  498.696  222.013  514.916  167.768   54.820   13.385   56.534   10.093 -1.713955 16.76370 
1 1 1   12    3    0 o  288.225   7.2185 12708.69  634.131 12708.69  634.131 12708.69  634.131  288.225   7.2185  288.225   7.2185 0.000000 0.000000 
1 1 1   12    3    1 o  478.371   8.1355 34967.18  1187.86 36043.59  1751.17 34049.77  1616.67  485.342   11.821  471.788   11.227 13.55380 16.30288 
1 1 1   12    3    2 o  435.396   10.215 28987.91  1357.47   0.0000   0.0000 28987.91  1357.47  ?   ?   435.396   10.215 0.000000 10.21480 
1 1 1   12    3    3 o  343.453   7.3667 18020.83  772.246 20964.66  1637.00 17178.18  875.825  369.890   14.500  335.266   8.5588 34.62476 16.83728 
1 1 1   12    3    4 f  235.693   5.0072  8481.92  360.213  8122.41  535.865  8778.30  486.537  230.570   7.6144  239.731   6.6493 -9.160767 10.10899 
1 1 1   12    3    5 o  140.514   3.4693  3013.93  148.794  2843.43  207.993  3192.65  212.946  136.465   4.9936  144.604   4.8247 -8.139694 6.943606 
1 1 1   12    3    6 o  613.096   20.873 57874.75  3905.90 59421.13  4781.69 54774.08  6771.00  619.961   25.270  589.433   37.836 30.52795 45.49828 
1 1 1   12    3    7 o  177.550   9.4970  4833.74  512.797  4582.69  708.029  5110.72  743.695  172.427   13.563  182.159   13.472 -9.731812 19.11626 
1 1 1   12    3    8 o  147.585   3.8322  3325.12  172.624  3263.14  244.350  3386.88  243.906  146.178   5.4766  148.926   5.3658 -2.747818 7.667162 
1 1 1   12    3    9 o  170.796   4.8336  4454.21  251.980  4421.69  263.210  4811.10  871.971  170.167   5.0677  176.268   16.395 -6.101852 17.16058 
1 1 1   12    3   10 o  352.960   8.8909 19048.30  957.828 19048.30  957.828   0.0000   0.0000  352.960   8.8909  ?   ?  0.000000 8.890889 
1 1 1   12    3   11 o  343.239   6.5919 17999.26  690.598 17999.26  690.598   0.0000   0.0000  343.239   6.5919  ?   ?  0.000000 6.591918 
1 1 1   12    3   12 o  113.285   3.4835  1959.15  120.450  1944.20  125.074  2150.24  447.090  112.850   3.6312  117.783   12.634 -4.932884 13.14522 
1 1 1   12    3   13 o  428.859   6.1979 28098.86  811.294 27379.72  1258.67 28609.99  1061.14  422.998   9.7489  432.582   8.0369 -9.584839 12.63458 
1 1 1   12    3   14 o   85.044   3.7008  1104.22   96.062  1117.33  126.523  1086.38  147.606   85.395   4.8744   84.131   5.7833 1.264725 7.563522 
1 1 1   12    3   15 o  228.387   3.8157  7964.06  265.992  8229.78  432.284  7802.16  337.434  232.081   6.1026  226.020   4.8913 6.061356 7.820872 
1 1 1   12    3   16 o  254.826   5.4031  9919.97  420.246  9369.75  723.609 10200.01  516.228  247.393   9.5830  258.337   6.5469 -10.94464 11.60583 
1 1 1   12    3   17 o  182.173   4.6486  5068.71  258.479  5011.82  287.389  5309.57  591.330  181.129   5.1983  185.860   10.466 -4.730453 11.68627 
1 1 1   12    3   18 o  209.220   3.3476  6683.15  213.776  6469.13  301.082  6900.74  303.582  205.795   4.7933  212.554   4.6794 -6.758667 6.698681 
1 1 1   12    3   19 o  475.588   7.3537 34595.13  1067.47 34056.98  1738.15 34921.02  1352.60  470.983   12.091  477.508   9.2805 -6.524994 15.24212 
1 1 1   12    3   20 o  496.603   11.585 37854.63  1756.06 37410.27  2091.26 38917.20  3233.83  493.055   13.896  500.153   21.183 -7.097534 25.33464 
1 1 1   12    3   21 o  522.058   9.9975 41780.81  1593.04 39851.12  2712.77 42796.52  1968.13  507.511   17.513  527.782   12.218 -20.27097 21.35321 
1 1 1   12    3   22 o  188.184   3.2695  5407.13  187.794  5128.16  288.185  5613.02  247.577  183.197   5.1539  191.700   4.2313 -8.503571 6.668305 
1 1 1   12    3   23 o  199.596   4.0835  6084.75  248.772  6094.02  257.522  5955.17  962.528  199.743   4.2240  195.639   16.267 4.103241 16.80605 
1 1 1   12    3   24 o   91.810   2.9675  1286.94   83.156  1252.69   96.268  1387.64  165.049   90.572   3.4823   95.107   5.7122 -4.534485 6.689963 
1 1 1   12    3   25 o  166.953   3.7952  4256.97  193.395  4221.62  278.630  4289.83  268.646  166.190   5.4930  167.538   5.2535 -1.348389 7.600781 
1 1 1   12    3   26 o  168.002   3.4311  4310.16  175.941  4300.67  216.184  4328.77  302.783  167.790   4.2213  168.260   5.8957 -0.4702454 7.251061 
1 1 1   12    3   28 o  338.435   9.6986 17575.04  1001.85   0.0000   0.0000 17575.04  1001.85  ?   ?   338.435   9.6986 0.000000 9.698647 
1 1 1   12    3   29 o  178.993   3.8090  4893.67  208.094  4996.00  294.954  4792.25  293.629  180.778   5.3455  177.048   5.4336 3.729797 7.622266 
1 1 1   12    3   30 o  489.848   9.5165 36823.84  1422.84 35555.32  2432.56 37483.54  1754.23  478.603   16.652  493.535   11.645 -14.93146 20.32017 
1 1 1   12    3   31 o  197.231   3.4100  5940.94  205.282  5765.72  330.254  6051.26  262.059  194.181   5.5722  199.010   4.3143 -4.828293 7.047127 
1 1 1   12    3   32 o  450.734   6.8845 31099.37  947.124 31113.94  1213.93 31076.70  1514.16  450.397   8.8304  449.496   11.036 0.9008789 14.13432 
1 1 1   12    3   33 o  140.255   3.0132  3003.88  128.993  2985.58  168.934  3029.47  199.767  139.797   3.9591  140.794   4.6486 -0.9964905 6.106103 
1 1 1   12    3   34 o  184.653   3.4775  5207.72  195.990  5237.72  330.830  5191.50  243.276  185.048   5.8574  184.325   4.3241 0.7234650 7.280573 
1 1 1   12    3   35 o  248.098   4.3592  9405.50  330.102  9474.87  540.518  9364.23  416.874  248.749   7.1192  247.459   5.5193 1.290634 9.008104 
1 1 1   12    3   36 o  112.566   3.4488  1935.29  118.494  1968.39  127.131  1716.21  327.063  113.518   3.6692  105.175   10.321 8.343681 10.95411 
1 1 1   12    3   37 o  155.854   3.8589  3710.79  183.570  4323.10  486.723  3609.25  198.207  167.515   9.5590  153.691   4.2253 13.82426 10.45122 
1 1 1   12    3   38 o   84.069   5.1364  1084.62  131.167  1101.05  146.305  1017.34  296.098   84.652   5.6956   80.288   12.489 4.364532 13.72625 
1 1 1   12    3   39 o  301.399   5.8837 13898.66  541.262 14347.71  735.006 13366.63  800.044  305.923   7.8716  295.096   8.8825 10.82712 11.86843 
1 1 1   12    3   40 o  250.545   4.6772  9595.92  357.678 10186.62  527.446  9093.00  486.676  257.914   6.7002  243.696   6.5430 14.21820 9.364979 
1 1 1   12    3   41 o  216.449   4.4395  7161.28  293.298  7146.14  439.304  7173.46  393.964  216.005   6.6632  216.495   5.9620 -0.4897461 8.941127 
1 1 1   12    3   42 o  106.170   2.7638  1721.36   89.561  1687.56  146.305  1741.63  113.262  105.063   4.5624  106.772   3.4754 -1.709770 5.735338 
1 1 1   12    3   43 o  253.377   4.1790  9813.28  323.186 10092.88  522.362  9639.88  411.374  256.645   6.6684  250.998   5.3697 5.646942 8.561602 
1 1 1   12    3   44 o  139.152   4.0708  2959.88  172.895  2977.96  252.839  2944.00  236.956  139.449   5.9403  138.678   5.5981 0.7707825 8.162496 
1 1 1   12    3   45 o  119.707   3.5293  2189.76  128.952  2074.24  224.225  2246.85  157.628  116.164   6.3481  121.221   4.2603 -5.056549 7.645155 
1 1 1   12    3   46 o   87.292   3.2484  1164.29   86.547  1187.58  168.290  1155.91  100.915   87.787   6.3231   86.957   3.8022 0.8299408 7.378191 
1 1 1   12    3   47 o  205.273   4.6230  6447.98  289.649  6319.41  397.315  6593.82  423.158  202.963   6.4136  207.276   6.6886 -4.312698 9.266698 
1 1 1   12    3   48 o  163.090   2.8484  4063.83  141.788  4431.67  206.702  3736.94  194.859  170.219   3.9785  156.299   4.0846 13.91978 5.701946 
1 1 1   12    3   49 o   80.863   3.0131  999.325   74.367  977.563  209.874  1002.45   79.527   79.076   8.8471   80.981   3.2175 -1.905067 9.414008 
1 1 1   12    3   50 o   57.870   11.038  538.516  187.852  605.705  212.591  299.172  401.241   61.279   11.794   49.640   18.983 11.63841 22.34832 
1 1 1   12    3   51 o  104.154   3.3844  1659.35  107.591  1777.72  143.980  1509.67  161.906  107.722   4.3791   99.030   5.3767 8.692467 6.934306 
1 1 1   12    3   52 o   49.143   4.7719  373.879   70.673  290.158  106.491  439.777   94.478   42.535   8.4998   53.151   5.9246 -10.61559 10.36084 
1 1 1   12    3   53 o  100.728   4.5497  1556.39  139.879  1580.49  169.012  1504.00  249.215  101.242   5.4900   98.074   8.4067 3.167892 10.04050 
1 1 1   12    3   54 o  114.348   8.3988  2044.13  291.081   0.0000   0.0000  2044.13  291.081  ?   ?   114.348   8.3988 0.000000 8.398834 
1 1 1   12    4    0 o  235.426   6.6452  8482.84  476.642  8482.84  476.642  8482.84  476.642  235.426   6.6452  235.426   6.6452 0.000000 0.000000 
1 1 1   12    4    1 f   56.905   3.4421  496.104   59.502  475.020   81.525  520.139   87.044   55.566   4.8557   58.155   4.9509 -2.589615 6.934627 
1 1 1   12    4    2 o  536.230   9.9439 43970.20  1627.52   0.0000   0.0000 43970.20  1627.52  ?   ?   536.230   9.9439 0.000000 9.943900 
1 1 1   12    4    3 o  194.995   5.3898  5806.20  320.782  7132.72  896.738  5611.54  343.513  215.343   13.715  191.688   5.8713 23.65552 14.91852 
1 1 1   12    4    4 o  256.680   6.0310 10062.38  472.494 10137.70  547.315  9841.98  936.193  257.607   6.9608  253.565   12.096 4.042450 13.95631 
1 1 1   12    4    5 o  561.337   12.009 48234.76  2057.50 51104.96  4045.94 47233.60  2389.54  575.453   23.035  555.161   14.102 20.29218 27.00902 
1 1 1   12    4    6 o  337.711   8.9775 17435.69  925.369 17435.69  925.369   0.0000   0.0000  337.711   8.9775  ?   ?  0.000000 8.977459 
1 1 1   12    4    7 o  486.848   8.7022 36233.68  1293.12 36928.38  1688.66 35248.74  2010.70  491.211   11.263  479.577   13.736 11.63351 17.76358 
1 1 1   12    4    8 o  167.489   4.8574  4283.52  248.317  4297.11  268.256  4202.14  656.344  167.747   5.2394  165.087   13.134 2.660248 14.14079 
1 1 1   12    4    9 f   66.258   3.2777  670.151   66.287  685.017   86.309  648.774  103.502   66.847   4.2523   64.966   5.2650 1.881622 6.767725 
1 1 1   12    4   10 o  419.192   7.8862 26859.82  1009.02 26859.82  1009.02   0.0000   0.0000  419.192   7.8862  ?   ?  0.000000 7.886238 
1 1 1   12    4   11 o  477.982   7.9800 34926.46  1164.22 33133.37  1517.80 37489.28  1814.56  465.234   10.689  494.671   12.018 -29.43671 16.08368 
1 1 1   12    4   12 f  355.482   6.4309 19307.83  697.764 19434.70  948.997 19158.53  1029.49  356.472   8.7221  353.856   9.5319 2.616241 12.92021 
1 1 1   12    4   13 o  300.248   4.3954 13765.80  402.802 13475.67  555.665 14087.09  584.743  296.985   6.1300  303.638   6.3095 -6.652466 8.796951 
1 1 1   12    4   14 o  712.064   10.363 77646.70  2252.33 76838.03  3666.33 78136.89  2854.48  706.291   17.007  713.572   13.106 -7.281555 21.47118 
1 1 1   12    4   15 o  281.187   5.8114 12080.32  498.762 12197.57  739.843 11982.63  675.281  282.356   8.5847  279.911   7.9040 2.445374 11.66920 
1 1 1   12    4   16 o   21.474   6.9589   68.101   52.101  -6.9754  102.906   93.980   60.417   20.966   8.9887   24.694   7.4184 -3.727636 11.65461 
1 1 1   12    4   17 o  462.725   6.3973 32727.80  903.511 32148.94  1277.40 33307.30  1278.11  458.240   9.1331  466.448   8.9774 -8.207642 12.80650 
1 1 1   12    4   18 o  230.340   4.6784  8104.22  328.911  8112.52  464.573  8095.87  465.730  230.355   6.6075  230.118   6.6308 0.2379761 9.360936 
1 1 1   12    4   19 o  269.800   8.5641 11143.73  705.245 11766.66  1411.90 10936.64  814.077  275.503   16.872  267.131   9.9844 8.371460 19.60463 
1 1 1   12    4   20 o  342.638   5.3605 17939.67  560.608 17680.98  1003.23 18057.13  676.001  339.668   9.6768  343.660   6.4447 -3.992004 11.62642 
1 1 1   12    4   21 f  292.507   4.8290 13071.54  431.134 13131.89  771.224 13044.10  519.971  292.836   8.6286  292.127   5.8316 0.7081299 10.41443 
1 1 1   12    4   22 o  134.544   3.5227  2764.21  144.661  2487.80  214.329  2995.49  196.054  127.585   5.5038  140.030   4.5871 -12.44518 7.164728 
1 1 1   12    4   23 o  165.584   4.9327  4189.34  249.298  4100.62  520.436  4215.76  284.001  163.140   10.508  166.076   5.6027 -2.935471 11.90801 
1 1 1   12    4   24 o   11.241   5.3111 -56.0344   47.910 -66.2752   54.537 -21.4096  100.281   11.887   5.6312   19.970   8.7162 -8.082845 10.37703 
1 1 1   12    4   25 o  220.992   4.7131  7461.96  317.906  7508.07  473.803  7424.22  428.740  221.515   7.0077  220.324   6.3755 1.190887 9.473935 
1 1 1   12    4   26 o  104.608   4.8841  1672.19  155.943  1611.53  173.628  1925.28  354.653  102.522   5.5695  111.489   10.547 -8.966988 11.92760 
1 1 1   12    4   27 o   88.120   4.9556  1190.46  132.745   0.0000   0.0000  1190.46  132.745  ?   ?    88.120   4.9556 0.000000 4.955563 
1 1 1   12    4   28 o  152.205   5.5831  3541.97  259.373   0.0000   0.0000  3541.97  259.373  ?   ?   152.205   5.5831 0.000000 5.583138 
1 1 1   12    4   29 o   96.023   2.9259  1407.87   85.754  1444.43  133.957  1382.49  111.624   97.227   4.5140   95.135   3.8441 2.091049 5.929064 
1 1 1   12    4   30 o  145.727   3.6519  3243.62  162.433  3228.80  182.926  3298.88  353.200  145.377   4.1225  146.525   7.9270 -1.147629 8.934927 
1 1 1   12    4   31 o  399.196   5.3277 24363.98  649.147 23543.55  942.328 25104.93  895.524  391.997   7.8759  404.909   7.2461 -12.91269 10.70215 
1 1 1   12    4   32 o   69.195   3.1683  731.167   66.913  812.932  115.618  689.987   82.051   72.732   5.2433   67.084   4.0259 5.647820 6.610591 
1 1 1   12    4   33 o  113.810   4.3924  1979.25  152.582  1924.63  181.907  2108.89  280.249  112.196   5.3120  117.050   7.8903 -4.854599 9.511816 
1 1 1   12    4   34 o  232.931   4.1584  8289.76  295.644  8606.97  497.820  8116.93  367.462  237.110   6.8787  230.414   5.2250 6.696075 8.638108 
1 1 1   12    4   35 o  105.770   2.9609  1708.30   95.587  1892.16  161.291  1608.76  118.672  111.265   4.7494  102.623   3.7887 8.642067 6.075388 
1 1 1   12    4   36 o   68.865   4.0778  727.106   85.332  745.435   91.542  605.613  235.683   69.711   4.3236   61.514   12.962 8.197678 13.66382 
1 1 1   12    4   37 o  263.873   4.9716 10644.46  400.413 10953.54  551.523 10299.97  582.267  267.483   6.7554  259.304   7.3569 8.178955 9.987974 
1 1 1   12    4   38 o  404.599   9.1264 25131.87  1127.04 25777.07  1222.33 21471.17  2911.53  409.580   9.7777  365.334   26.286 44.24576 28.04574 
1 1 1   12    4   39 f  288.509   4.9164 12725.89  432.940 13651.89  708.496 12174.06  546.933  298.417   7.7785  282.014   6.3540 16.40341 10.04382 
1 1 1   12    4   40 o  283.433   20.368 12716.09  1750.29   0.0000   0.0000 12716.09  1750.29  ?   ?   283.433   20.368 0.000000 20.36793 
1 1 1   12    4   41 o   49.551   7.7468  385.461  113.326  401.137  142.532  358.520  186.855   50.249   9.6440   47.343   12.678 2.906094 15.92903 
1 1 1   12    4   42 o   54.919   4.0585  463.459   67.548  395.251  100.126  520.430   91.508   50.358   6.6791   58.095   5.2162 -7.737339 8.474610 
1 1 1   12    4   43 o  111.176   2.9195  1887.79   99.068  1828.72  152.777  1930.64  130.138  109.359   4.5771  112.400   3.7933 -3.040657 5.944650 
1 1 1   12    4   44 o  219.224   4.2878  7347.95  286.906  7244.89  386.398  7474.60  428.326  217.512   5.8202  220.862   6.3538 -3.349457 8.616586 
1 1 1   12    4   45 o   63.532   3.2998  618.382   63.768  651.256   90.868  586.484   89.509   65.089   4.6036   61.730   4.7881 3.358185 6.642240 
1 1 1   12    4   46 o  171.434   5.5036  4501.35  287.981  4391.82  330.474  4846.98  587.062  169.229   6.3980  176.637   10.943 -7.408325 12.67591 
1 1 1   12    4   47 o  136.647   3.0603  2853.12  127.641  2923.68  171.296  2765.03  191.393  138.262   4.0591  134.413   4.6652 3.849747 6.183852 
1 1 1   12    4   48 o  109.417   3.2432  1829.85  108.311  2004.79  169.460  1709.03  140.831  114.420   4.8523  105.677   4.3662 8.742294 6.527506 
1 1 1   12    4   49 o   23.626   5.8843   89.030   42.273   38.208  108.082   98.209   45.932   23.768   9.6127   24.805   6.1075 -1.036436 11.38886 
1 1 1   12    4   50 o   51.385   4.6335  407.801   71.889  436.050  120.143  392.046   89.723   52.629   7.7077   50.172   5.9767 2.456757 9.753419 
1 1 1   12    4   51 o  325.161   7.8599 16341.96  780.067 16839.74  844.302 13438.96  2038.93  329.787   8.3878  279.710   24.118 50.07697 25.53503 
1 1 1   12    4   52 o  102.030   3.7262  1593.81  116.041  1865.32  164.481  1324.75  163.736  110.252   4.8878   92.628   5.8210 17.62354 7.600937 
1 1 1   12    4   53 o  252.904   6.4553  9865.08  498.299 11440.01  999.170  9343.70  574.893  268.741   12.181  245.598   7.6691 23.14333 14.39429 
1 1 1   12    4   54 o   39.007   5.2248  238.041   60.642  267.648  179.656  234.234   64.423   40.993   12.883   38.612   5.6322 2.381313 14.06052 
1 1 1   12    5    0 o  483.591   9.3862 35767.85  1384.26 35767.85  1384.26 35767.85  1384.26  483.591   9.3862  483.591   9.3862 0.000000 0.000000 
1 1 1   12    5    1 o   69.936   4.2389  749.466   90.057   0.0000   0.0000  749.466   90.057  ?   ?    69.936   4.2389 0.000000 4.238912 
1 1 1   12    5    2 o  242.176   6.7583  8959.55  499.560   0.0000   0.0000  8959.55  499.560  ?   ?   242.176   6.7583 0.000000 6.758329 
1 1 1   12    5    3 o  117.095   4.6454  2093.48  166.026   0.0000   0.0000  2093.48  166.026  ?   ?   117.095   4.6454 0.000000 4.645388 
1 1 1   12    5    4 o  371.524   6.2665 21083.71  710.607 24293.58  1522.60 20189.85  803.480  398.273   12.525  363.509   7.2417 34.76440 14.46807 
1 1 1   12    5    5 o  627.239   13.478 60295.13  2580.29 64706.41  5084.38 58764.89  2994.57  646.180   25.779  618.730   15.857 27.45074 30.26546 
1 1 1   12    5    6 o  358.601   5.9103 19641.42  646.905 20875.83  884.276 18220.13  948.858  369.581   7.8390  345.193   9.0058 24.38824 11.93962 
1 1 1   12    5    7 o  143.872   3.3356  3159.78  146.476  3257.82  201.113  3049.03  213.760  146.070   4.5109  141.305   4.9563 4.765518 6.701686 
1 1 1   12    5    8 o  142.319   3.0677  3091.85  133.260  2950.13  163.336  3373.98  230.457  139.010   3.8496  148.640   5.0797 -9.629990 6.373628 
1 1 1   12    5    9 o  214.418   3.7288  7018.90  244.032  6895.66  295.875  7281.10  431.571  212.507   4.5616  218.304   6.4770 -5.796844 7.922089 
1 1 1   12    5   10 o  437.374   14.677 29369.97  1959.32 29369.97  1959.32   0.0000   0.0000  437.374   14.677  ?   ?  0.000000 14.67698 
1 1 1   12    5   11 o  409.997   9.2745 25718.51  1160.61 25718.51  1160.61   0.0000   0.0000  409.997   9.2745  ?   ?  0.000000 9.274496 
1 1 1   12    5   12 o  595.412   16.479 54559.71  2994.78 53569.18  3458.58 57527.81  5986.91  589.090   19.235  603.269   32.636 -14.17963 37.88253 
1 1 1   12    5   13 o  202.260   4.4294  6247.19  273.446  6173.19  374.524  6331.68  400.171  201.000   6.1047  203.550   6.4411 -2.549866 8.874402 
1 1 1   12    5   14 o  238.172   6.2599  8668.81  455.066  8499.01  1261.33  8694.22  487.928  234.054   17.789  238.497   6.7028 -4.443634 19.01018 
1 1 1   12    5   15 o  237.699   5.0038  8630.58  363.029  8338.12  541.319  8869.64  489.399  233.497   7.5955  240.883   6.6564 -7.386353 10.09947 
1 1 1   12    5   16 o  346.194   6.7601 18322.98  714.314 17154.29  1062.51 19286.84  964.912  334.567   10.405  354.953   8.9064 -20.38528 13.69608 
1 1 1   12    5   17 f  262.936   4.4350 10559.29  355.923 10555.94  449.698 10564.89  582.329  262.831   5.6057  262.828   7.2590 0.2624512E-02 9.171539 
1 1 1   12    5   18 o  371.602   7.1750 21120.16  813.793 21366.23  1207.43 20915.35  1101.59  373.276   10.598  369.449   9.7690 3.826782 14.41340 
1 1 1   12    5   19 f  265.389   5.2864 10762.03  428.211 10666.82  1416.68 10771.60  449.224  261.948   17.825  265.491   5.5437 -3.543121 18.66715 
1 1 1   12    5   20 o  290.156   6.2004 12871.26  549.126 13921.39  1556.36 12721.95  586.868  299.547   17.094  288.429   6.6663 11.11826 18.34751 
1 1 1   12    5   21 o  169.536   3.5822  4389.12  185.365  4330.55  313.809  4420.50  229.726  168.303   6.1088  170.114   4.4244 -1.810837 7.542732 
1 1 1   12    5   22 o   34.531   5.8446  187.312   59.402  202.168   73.913  160.214   99.823   35.736   7.0268   32.113   9.5104 3.622860 11.82472 
1 1 1   12    5   23 o  212.959   4.7365  6929.10  307.871  6868.08  323.983  7497.19  988.563  212.005   5.0068  219.932   14.813 -7.927338 15.63600 
1 1 1   12    5   24 o  163.934   10.257  4140.03  510.625  3220.91  767.404  4870.29  684.031  142.994   17.980  177.441   12.714 -34.44687 22.02155 
1 1 1   12    5   25 o  138.814   4.8316  2944.48  204.710  4118.52  636.249  2808.91  216.206  163.042   12.890  135.566   5.2252 27.47586 13.90918 
1 1 1   12    5   26 f  399.755   17.524 24811.90  2138.21 24707.53  3042.71 24913.73  3005.40  394.494   25.405  396.405   24.967 -1.910706 35.61990 
1 1 1   12    5   27 o  302.297   6.9590 13985.73  642.094 14279.25  765.575 13289.52  1179.06  305.283   8.2161  293.611   13.157 11.67221 15.51137 
1 1 1   12    5   28 o   84.206   3.2231  1082.79   82.839  1106.35  143.090  1070.91  101.595   84.884   5.5535   83.729   3.9754 1.155006 6.829708 
1 1 1   12    5   29 o  215.349   3.8398  7083.88  252.387  7510.70  412.511  6828.51  319.077  221.588   6.0992  211.368   4.9458 10.21933 7.852484 
1 1 1   12    5   30 o  205.296   3.0420  6435.83  190.614  6463.73  262.676  6404.80  277.034  205.687   4.1840  204.733   4.4333 0.9538879 6.095942 
1 1 1   12    5   31 o  245.893   4.0271  9237.11  302.241  9691.84  387.020  8526.25  483.893  251.798   5.0357  236.021   6.7171 15.77702 8.395117 
1 1 1   12    5   32 o  461.408   8.0345 32628.61  1131.51 33360.32  1760.53 32113.63  1476.96  465.196   12.399  457.041   10.588 8.154724 16.30444 
1 1 1   12    5   33 o  257.086   5.0996 10104.06  400.159 10497.15  622.470  9827.19  522.410  261.738   7.7917  253.375   6.7551 8.363556 10.31225 
1 1 1   12    5   34 o  110.001   3.3755  1848.04  113.332  1850.45  172.323  1846.19  150.447  110.018   5.1317  109.914   4.4845 0.1037979 6.815059 
1 1 1   12    5   35 o  111.657   4.4979  1905.26  153.289  1950.30  168.363  1686.98  370.633  112.955   4.8834  103.985   11.891 8.970581 12.85517 
1 1 1   12    5   36 o  156.624   3.8181  3747.50  182.527  3804.63  198.460  3433.96  464.938  157.801   4.1205  149.117   10.278 8.684021 11.07326 
1 1 1   12    5   37 f  335.711   6.1684 17245.93  632.052 17733.83  900.190 16771.53  887.656  339.981   8.6749  330.603   8.7967 9.377747 12.35456 
1 1 1   12    5   38 o   24.724   8.2122   88.686   72.384  174.862  122.647   42.628   89.665   33.902   10.643   22.460   8.8642 11.44263 13.85094 
1 1 1   12    5   39 o  149.266   4.0780  3404.58  185.790  3495.24  607.545  3395.22  195.139  149.731   13.437  149.051   4.2893 0.6795197 14.10488 
1 1 1   12    5   40 o  187.255   5.8209  5365.77  332.687  5375.30  350.927  5281.22  1045.55  187.393   6.1355  182.484   19.053 4.909073 20.01614 
1 1 1   12    5   41 o  233.038   6.1737  8314.62  439.125  8393.13  467.256  7720.92  1284.96  234.089   6.5397  220.716   19.267 13.37323 20.34669 
1 1 1   12    5   42 o  318.132   7.7114 15528.40  748.787 17220.28  1491.81 14958.61  865.743  332.687   14.691  311.915   9.0936 20.77148 17.27797 
1 1 1   12    5   43 f  228.647   4.0224  7990.94  280.714  8910.95  523.435  7619.50  332.586  241.051   7.1144  223.188   4.8822 17.86336 8.628459 
1 1 1   12    5   44 o   71.727   3.6324  788.229   79.264  1068.05  442.579  778.956   80.567   80.733   18.374   71.296   3.7152 9.437263 18.74553 
1 1 1   12    5   45 o  295.934   11.595 13568.05  1047.34 14635.13  1860.72 13073.21  1267.12  302.144   20.295  289.341   14.348 12.80289 24.85419 
1 1 1   12    5   46 o  141.705   4.4866  3072.07  194.053  3430.01  489.707  3005.40  211.355  148.457   10.883  140.122   4.9419 8.335678 11.95263 
1 1 1   12    5   47 o  144.059   2.6700  3170.24  117.402  3500.52  174.139  2895.01  158.961  151.305   3.7707  137.597   3.7850 13.70804 5.342718 
1 1 1   12    5   48 o  144.580   3.9795  3197.74  175.612  3220.17  192.845  3088.82  424.998  145.051   4.3558  140.879   9.9478 4.172821 10.85961 
1 1 1   12    5   49 o  257.187   4.9879 10137.35  391.546 11818.13  584.198  8766.56  527.581  277.155   6.9059  238.609   7.2441 38.54582 10.00841 
1 1 1   12    5   50 o   59.993   4.3166  554.055   78.514  621.221  138.113  521.987   95.434   63.069   7.3103   58.067   5.4483 5.001553 9.117250 
1 1 1   12    5   51 o   38.827   6.1623  237.531   70.589  387.198  207.583  217.961   75.063   48.662   13.501   37.022   6.8964 11.64009 15.16070 
1 1 1   12    5   52 f  145.255   6.8617  3256.36  304.214  3791.05  432.734  2733.90  427.755  155.803   9.1397  131.631   10.740 24.17215 14.10289 
1 1 1   12    5   53 o  172.534   5.5215  4579.56  290.772  4579.56  290.772   0.0000   0.0000  172.534   5.5215  ?   ?  0.000000 5.521549 
1 1 1   12    6    0 o  276.069   7.8155 11668.50  657.356 11668.50  657.356 11668.50  657.356  276.069   7.8155  276.069   7.8155 0.000000 0.000000 
1 1 1   12    6    1 o  240.653   6.6986  8847.98  492.032   0.0000   0.0000  8847.98  492.032  ?   ?   240.653   6.6986 0.000000 6.698616 
1 1 1   12    6    2 o  437.418   9.7492 29267.97  1301.62 29957.24  1555.43 27657.60  2377.49  442.335   11.521  423.957   18.373 18.37778 21.68629 
1 1 1   12    6    3 o  314.021   7.7056 15071.16  738.553 14647.70  878.823 16089.29  1362.68  309.474   9.3038  323.930   13.782 -14.45590 16.62882 
1 1 1   12    6    4 o  644.858   10.738 63647.67  2113.59 62200.56  2877.18 65344.04  3115.13  636.649   14.806  652.328   15.646 -15.67902 21.54100 
1 1 1   12    6    5 o  132.967   3.5128  2699.09  142.566  3290.19  232.061  2340.74  180.684  146.780   5.1799  123.810   4.7813 22.97002 7.049264 
1 1 1   12    6    6 o  372.106   6.4378 21154.30  731.176 21889.16  999.060 20306.69  1072.97  378.346   8.6514  364.324   9.6490 14.02112 12.95953 
1 1 1   12    6    7 o  262.482   4.8426 10521.22  387.965 10588.99  534.479 10445.74  564.043  263.250   6.6519  261.443   7.0683 1.807220 9.706140 
1 1 1   12    6    8 o  378.616   6.5924 21903.93  761.831 22083.14  1039.49 21695.98  1119.76  379.962   8.9632  376.538   9.7432 3.423645 13.23891 
1 1 1   12    6    9 o  562.058   16.111 48583.57  2763.96 47391.13  3191.89 52157.82  5526.12  554.331   18.865  575.344   31.589 -21.01355 36.79382 
1 1 1   12    6   10 o  186.897   5.4400  5335.68  310.323  5335.68  310.323   0.0000   0.0000  186.897   5.4400  ?   ?  0.000000 5.439960 
1 1 1   12    6   11 o  421.483   13.804 27279.30  1775.82 27279.30  1775.82   0.0000   0.0000  421.483   13.804  ?   ?  0.000000 13.80391 
1 1 1   12    6   12 f  149.021   3.8890  3390.85  176.889  3353.53  185.374  3770.82  591.460  148.195   4.0982  156.281   12.504 -8.085709 13.15867 
1 1 1   12    6   13 o  197.760   4.3074  5972.47  260.000  6333.82  357.619  5567.31  378.675  203.601   5.7547  190.853   6.5006 12.74815 8.681802 
1 1 1   12    6   14 f  398.201   7.7558 24253.71  942.644 25274.93  1336.24 23242.01  1329.98  406.068   10.781  389.329   11.192 16.73895 15.54022 
1 1 1   12    6   15 o   65.390   3.9265  655.289   78.005  748.906  137.465  610.827   94.734   69.688   6.5393   63.039   4.9637 6.648064 8.209756 
1 1 1   12    6   16 o  247.836   4.2396  9380.84  320.707  9012.23  525.844  9599.16  404.684  242.755   7.0969  250.652   5.2897 -7.896576 8.851395 
1 1 1   12    6   17 o  125.428   3.5887  2402.26  137.387  2421.50  202.591  2385.87  186.940  125.889   5.2725  124.969   4.9010 0.9195938 7.198507 
1 1 1   12    6   18 o  308.682   5.9881 14564.96  564.182 15096.19  837.258 14123.12  763.571  313.975   8.7367  303.746   8.2361 10.22974 12.00680 
1 1 1   12    6   19 o   92.925   3.1777  1318.43   90.129  1321.79  142.639  1316.19  116.285   92.873   5.0509   92.832   4.1040 0.4167175E-01 6.508025 
1 1 1   12    6   20 o  164.464   3.7994  4130.75  190.721  4243.29  539.742  4114.69  203.873  165.951   10.713  164.135   4.0695 1.815063 11.46001 
1 1 1   12    6   21 o  382.439   5.8539 22358.81  683.321 22897.63  1151.23 22065.72  849.064  386.437   9.7604  379.742   7.3255 6.694855 12.20360 
1 1 1   12    6   22 f  118.222   6.7052  2144.70  240.954  2763.49  509.365  1966.31  273.490  133.435   12.658  113.047   7.9774 20.38826 14.96227 
1 1 1   12    6   23 o  197.879   6.1683  5987.69  372.550  5885.35  411.006  6459.07  882.096  196.133   6.8656  204.152   14.245 -8.018570 15.81359 
1 1 1   12    6   24 o  274.310   7.2524 11516.46  607.211 11598.88  669.318 11133.16  1443.39  275.208   7.9681  267.226   17.798 7.981903 19.50057 
1 1 1   12    6   25 o  189.629   4.6521  5494.48  269.256  5993.85  403.684  5094.27  361.389  197.930   6.6821  182.487   6.4882 15.44356 9.313841 
1 1 1   12    6   26 o  112.771   2.7302  1941.64   93.974  1807.68  135.093  2067.23  130.810  108.782   4.0687  116.340   3.6838 -7.557999 5.488616 
1 1 1   12    6   27 o  106.838   3.3779  1743.14  110.149  1782.97  172.617  1715.79  143.062  107.999   5.2366  105.970   4.4231 2.029305 6.854566 
1 1 1   12    6   28 f  402.943   7.1680 24857.34  881.576 25338.14  3013.61 24812.35  921.904  399.214   24.856  402.517   7.5039 -3.302490 25.96353 
1 1 1   12    6   29 o  157.290   4.9176  3781.42  236.088  3718.69  264.222  4029.82  525.783  155.947   5.5510  161.561   10.723 -5.614548 12.07487 
1 1 1   12    6   30 o   69.769   3.0916  743.335   65.837  769.691   94.842  718.822   91.465   70.836   4.4084   68.446   4.4014 2.389832 6.229524 
1 1 1   12    6   31 o  460.835   7.1131 32517.63  1000.51 32447.88  1267.39 32632.98  1629.91  459.875   9.0293  460.388   11.599 -0.5130005 14.69920 
1 1 1   12    6   32 o  185.792   3.5362  5272.32  200.530  5152.13  361.657  5325.68  240.964  183.484   6.4577  186.696   4.2286 -3.212265 7.719054 
1 1 1   12    6   33 o  156.096   3.1390  3720.97  149.555  3783.11  252.398  3687.35  185.656  157.300   5.2570  155.361   3.9152 1.939697 6.554769 
1 1 1   12    6   34 o  159.477   4.3106  3886.25  209.822  3886.25  209.822   0.0000   0.0000  159.477   4.3106  ?   ?  0.000000 4.310570 
1 1 1   12    6   35 o   33.165   9.5312  172.659  101.604  244.980  132.455   69.267  158.372   39.288   10.739   29.495   11.736 9.793083 15.90786 
1 1 1   12    6   36 o   60.421   4.0581  560.300   74.405  600.380  102.575  515.794  108.091   62.422   5.4381   57.724   6.2340 4.698021 8.272617 
1 1 1   12    6   37 o  268.593   5.5735 11034.47  456.923 11330.58  621.275 10685.60  674.356  271.928   7.4854  263.941   8.3708 7.986572 11.22945 
1 1 1   12    6   38 o  288.398   5.6522 12723.72  497.543 14358.09  1674.40 12565.43  521.079  302.466   18.222  286.560   5.9576 15.90601 19.17119 
1 1 1   12    6   39 o  131.886   3.7264  2657.42  150.003  3158.98  219.395  2217.15  205.555  143.732   5.0010  120.384   5.5943 23.34769 7.503702 
1 1 1   12    6   40 o   65.076   3.8123  649.293   75.392  667.328  144.850  642.591   88.294   65.572   7.3647   64.679   4.5005 0.8932419 8.630970 
1 1 1   12    6   41 o   96.202   4.9705  1419.21  145.450  1514.89  164.241  1071.38  313.152   99.355   5.4366   82.243   12.899 17.11220 13.99814 
1 1 1   12    6   42 o  134.597   3.2498  2767.48  133.507  3167.01  229.342  2562.70  164.195  143.872   5.2226  129.480   4.1547 14.39188 6.673641 
1 1 1   12    6   43 o  158.113   3.4030  3819.71  164.229  4075.27  274.746  3677.63  204.856  163.163   5.5169  155.089   4.3276 8.073425 7.011710 
1 1 1   12    6   44 o  214.819   7.7180  7088.14  506.051  8236.57  1018.96  6712.15  583.035  229.230   14.640  208.772   9.1497 20.45830 17.26400 
1 1 1   12    6   45 o  124.511   5.2282  2373.55  198.690  2420.67  237.209  2262.78  363.728  125.660   6.1847  120.664   9.9652 4.995369 11.72840 
1 1 1   12    6   46 o  136.673   3.3598  2854.89  140.158  2877.96  177.928  2817.17  227.517  137.165   4.2500  135.602   5.4971 1.562729 6.948383 
1 1 1   12    6   47 o  285.438   4.6395 12472.36  404.208 13048.62  652.933 12114.28  514.692  291.285   7.3440  281.021   6.0006 10.26398 9.483740 
1 1 1   12    6   48 o   69.950   3.6442  750.331   77.536  799.670  112.201  705.234  107.270   72.055   5.1353   67.630   5.2375 4.424889 7.334998 
1 1 1   12    6   49 o   85.726   3.6225  1124.20   94.786  1145.40  353.150  1122.55   98.396   84.062   14.275   85.656   3.7636 -1.594025 14.76235 
1 1 1   12    6   50 o  183.834   4.2343  5176.29  237.589  6786.58  892.226  5053.39  246.489  206.229   14.262  181.605   4.4469 24.62425 14.93927 
1 1 1   12    6   51 o   45.045   5.0005  315.179   67.590  333.580  123.065  307.231   80.881   45.541   9.1708   44.266   6.1527 1.274948 11.04351 
1 1 1   12    6   52 o  113.154   8.9070  2004.42  305.135  2197.42  546.104  1916.82  367.926  115.512   15.912  109.869   11.125 5.642365 19.41498 
1 1 1   12    6   53 o   53.193   14.016  471.360  230.752  471.360  230.752   0.0000   0.0000   53.193   14.016  ?   ?  0.000000 14.01610 
1 1 1   12    7    0 o  548.412   10.069 46015.64  1684.17 46015.64  1684.17 46015.64  1684.17  548.412   10.069  548.412   10.069 0.000000 0.000000 
1 1 1   12    7    1 o  580.412   8.4485 51513.55  1496.70 62640.79  2599.16 45993.47  1830.68  639.093   13.325  548.065   10.944 91.02887 17.24261 
1 1 1   12    7    2 o  687.319   22.143 73085.80  4645.30 85271.88  8080.55 67070.63  5677.18  734.235   36.057  655.581   28.372 78.65405 45.88102 
1 1 1   12    7    3 f  531.591   8.5460 43215.58  1386.62 48735.52  1965.26 37743.56  1956.71  564.064   11.415  496.138   12.921 67.92633 17.24133 
1 1 1   12    7    4 o  526.722   9.0725 42440.28  1458.57 44234.32  1662.84 36454.40  3037.36  537.582   10.134  485.816   20.484 51.76559 22.85350 
1 1 1   12    7    5 o  600.017   10.193 55111.31  1866.65 55603.25  2541.72 54535.32  2750.27  601.916   13.835  595.782   15.124 6.133911 20.49737 
1 1 1   12    7    6 o  648.126   13.129 64441.45  2597.22 70005.70  4435.91 61538.97  3203.79  672.553   21.609  632.381   16.598 40.17181 27.24827 
1 1 1   12    7    7 o  467.888   8.2698 33480.86  1181.02 32928.21  1289.13 36367.21  2946.10  463.906   9.1044  485.174   19.895 -21.26831 21.87878 
1 1 1   12    7    8 o  142.813   3.4954  3113.84  152.363  3063.90  165.610  3389.05  388.775  141.658   3.8303  148.596   8.6087 -6.937485 9.422395 
1 1 1   12    7    9 o  366.977   5.7589 20575.23  645.051 20800.05  778.002 20080.81  1153.77  368.886   6.9099  362.083   10.440 6.803650 12.51946 
1 1 1   12    7   10 o  403.535   8.8233 24918.57  1086.76 24918.57  1086.76   0.0000   0.0000  403.535   8.8233  ?   ?  0.000000 8.823349 
1 1 1   12    7   11 o   90.635   3.2632  1254.14   90.273  1254.14   90.273   0.0000   0.0000   90.635   3.2632  ?   ?  0.000000 3.263213 
1 1 1   12    7   12 o  143.343   8.0357  3153.24  350.158  2997.70  450.718  3390.03  556.124  139.449   10.670  148.098   12.417 -8.649414 16.37227 
1 1 1   12    7   13 o  307.419   11.418 14497.02  1071.33 14593.42  1320.01 14310.96  1833.85  308.036   14.040  303.235   19.925 4.801636 24.37429 
1 1 1   12    7   14 o  168.605   10.158  4372.43  520.295  4326.41  792.399  4407.31  689.834  166.803   15.751  168.778   13.504 -1.975098 20.74701 
1 1 1   12    7   15 o  348.786   22.231 19030.05  2354.37   0.0000   0.0000 19030.05  2354.37  ?   ?   348.786   22.231 0.000000 22.23139 
1 1 1   12    7   16 o  267.310   12.586 10981.53  1026.89 10921.41  1464.97 11039.61  1439.84  264.966   18.225  266.518   17.802 -1.551392 25.47698 
1 1 1   12    7   17 o  195.423   10.490  5874.29  623.439  5778.10  901.579  5962.44  863.035  192.931   15.440  196.193   14.515 -3.261658 21.19133 
1 1 1   12    7   18 o  186.011   5.7593  5288.65  326.983  5258.22  357.896  5442.33  804.269  185.445   6.3230  187.438   14.163 -1.992126 15.51003 
1 1 1   12    7   19 f  252.924   4.3744  9771.74  337.694  9100.59  411.831 11149.09  589.975  244.016   5.5295  269.951   7.1603 -25.93513 9.046823 
1 1 1   12    7   20 o  193.745   4.3235  5733.98  255.670  5619.07  278.425  6352.04  645.722  191.775   4.7566  203.195   10.447 -11.42036 11.47878 
1 1 1   12    7   21 o  116.470   4.2746  2072.16  151.957  2088.45  180.144  2031.99  282.932  116.905   5.0486  114.910   8.1192 1.994789 9.560818 
1 1 1   12    7   22 o  210.622   6.4815  6785.26  416.672  6634.22  459.125  7490.55  992.131  208.208   7.2246  219.764   14.879 -11.55626 16.53988 
1 1 1   12    7   23 o  195.545   6.5940  5849.51  393.561  5554.31  433.667  7227.71  937.031  190.483   7.4590  215.954   14.297 -25.47032 16.12567 
1 1 1   12    7   24 o  148.318   4.4860  3361.03  203.082  3393.44  237.213  3272.10  392.971  149.001   5.2159  145.835   8.8706 3.167068 10.29043 
1 1 1   12    7   25 o  258.966   3.7522 10243.13  296.586 10632.29  430.808  9892.50  408.921  263.728   5.3519  254.394   5.2664 9.333786 7.508555 
1 1 1   12    7   26 o   92.932   5.0669  1323.96  143.181  1313.68  168.195  1351.03  272.873   92.487   5.9904   93.326   9.7222 -0.8394547 11.41956 
1 1 1   12    7   27 o  133.565   2.9752  2724.01  121.291  3277.43  223.755  2493.73  144.336  146.432   5.0063  127.775   3.7009 18.65673 6.225783 
1 1 1   12    7   28 o  276.787   4.5730 11707.27  386.335 11409.54  651.473 11868.77  479.807  272.896   7.8214  278.593   5.6426 -5.697083 9.644314 
1 1 1   12    7   29 o  251.402   4.8570  9660.27  372.694  9952.52  549.403  9411.15  507.254  254.960   7.0600  247.968   6.7021 6.991760 9.734563 
1 1 1   12    7   30 o  281.140   4.0963 12075.67  351.508 12129.00  496.493 12022.08  497.725  281.606   5.7764  280.358   5.8165 1.248169 8.197418 
1 1 1   12    7   31 o   86.303   3.3931  1137.56   89.379  955.738  159.390  1220.96  107.948   78.736   6.6959   89.398   3.9561 -10.66210 7.777299 
1 1 1   12    7   32 o  385.922   9.2086 22858.95  1084.70 22696.81  1287.13 23256.29  2014.92  384.092   10.979  386.598   17.076 -2.505615 20.30085 
1 1 1   12    7   33 o  103.605   3.9004  1639.82  123.340  1650.20  128.314  1513.62  447.334  103.928   4.0450   97.650   15.529 6.277992 16.04674 
1 1 1   12    7   34 o  271.872   5.4018 11302.75  448.253 11256.29  490.158 11540.15  1107.97  271.259   5.9202  273.341   13.280 -2.082336 14.54013 
1 1 1   12    7   35 f  162.025   5.0380  4013.47  249.148  4131.64  275.161  3475.61  587.023  164.366   5.4848  149.487   12.995 14.87871 14.10506 
1 1 1   12    7   36 o  143.823   3.3358  3159.32  146.434  3125.25  193.787  3204.66  223.569  143.002   4.4398  144.777   5.0594 -1.774765 6.731219 
1 1 1   12    7   37 o  222.818   4.6204  7588.93  314.228  7577.67  450.254  7599.62  438.741  222.466   6.6310  222.807   6.4515 -0.3413849 9.251586 
1 1 1   12    7   38 o  324.027   7.5064 16093.45  742.385 17508.90  1479.79 15617.38  858.196  336.005   14.429  318.934   8.8159 17.07083 16.90912 
1 1 1   12    7   39 o  217.218   4.3551  7211.93  288.743  7687.32  424.498  6802.59  393.905  224.084   6.2065  210.804   6.1220 13.28004 8.717797 
1 1 1   12    7   40 o  562.357   8.2441 48545.87  1415.04 51095.63  2457.49 47281.16  1730.76  573.768   14.033  554.109   10.234 19.65894 17.36774 
1 1 1   12    7   41 o  109.549   3.5932  1833.67  120.145  1960.66  351.236  1816.84  127.857  112.331   10.361  109.036   3.8418 3.295151 11.05036 
1 1 1   12    7   42 o  213.135   3.0170  6938.79  196.266  7588.07  288.163  6376.98  268.051  222.787   4.2377  204.230   4.3001 18.55659 6.037317 
1 1 1   12    7   43 o  135.794   3.9300  2818.75  162.890  3136.86  572.780  2790.75  169.905  141.429   13.430  135.107   4.1201 6.321762 14.04773 
1 1 1   12    7   44 o  231.655   6.3800  8227.81  451.103 10777.76  1192.00  7801.57  487.350  262.021   14.967  225.453   7.0822 36.56784 16.55783 
1 1 1   12    7   45 o  113.167   3.5551  1957.54  122.799  1891.52  198.963  1998.16  156.071  110.935   5.8972  114.283   4.4743 -3.347900 7.402484 
1 1 1   12    7   46 o   22.246   8.5149   51.917   80.778 -142.8466  587.892   55.664   81.552   46.644   20.701   22.593   8.5774 24.05108 22.40719 
1 1 1   12    7   47 o  123.314   3.4044  2324.75  128.137  2540.57  213.636  2203.49  160.140  128.735   5.4370  119.986   4.3727 8.749031 6.977250 
1 1 1   12    7   48 o   34.783   6.5873  192.053   67.374  217.823  315.643  190.823   68.963   43.703   16.807   34.640   6.7652 9.062317 18.11746 
1 1 1   12    7   49 o   88.014   7.3669  1202.64  196.082  1490.32  401.936  1112.79  224.625   96.089   14.126   84.313   8.8612 11.77600 16.67550 
1 1 1   12    7   50 o  193.803   7.1824  5795.93  424.860  6419.96  608.457  5202.17  593.508  203.000   9.8201  182.086   10.726 20.91336 14.54273 
1 1 1   12    7   51 o   94.660   4.5465  1374.27  131.361  1898.62  504.056  1336.06  136.062  107.410   15.851   93.187   4.8000 14.22280 16.56225 
1 1 1   12    7   52 o  163.789   4.9735  4120.82  248.635  4858.31  729.017  4023.74  264.493  173.595   13.875  161.764   5.3569 11.83084 14.87303 
1 1 1   12    8    0 o   74.832   4.4793  864.039  101.469  864.039  101.469  864.039  101.469   74.832   4.4793   74.832   4.4793 0.000000 0.000000 
1 1 1   12    8    1 o  714.770   10.300 78233.55  2247.18 80768.98  2848.95 74058.55  3655.85  725.572   12.864  693.310   17.276 32.26190 21.53955 
1 1 1   12    8    2 o  330.851   8.6887 16745.91  877.410   0.0000   0.0000 16745.91  877.410  ?   ?   330.851   8.6887 0.000000 8.688659 
1 1 1   12    8    3 o  692.835   14.973 73792.22  3166.29 72905.67  3679.72 76320.88  6214.54  687.736   17.530  697.553   29.189 -9.816589 34.04811 
1 1 1   12    8    4 o  173.357   4.2645  4589.13  225.645  4714.73  263.265  4241.43  438.023  175.696   4.9092  166.280   8.6605 9.416183 9.955176 
1 1 1   12    8    5 o  207.457   3.4499  6570.77  218.448  6861.75  276.469  6087.21  356.399  211.978   4.2731  199.602   5.8500 12.37566 7.244402 
1 1 1   12    8    6 o  251.456   8.2850  9672.46  635.873  9826.37  738.765  9232.49  1249.09  253.350   9.5536  244.201   16.862 9.148560 19.37995 
1 1 1   12    8    7 o  252.953   4.7591  9772.74  367.436  9407.90  502.466 10192.07  538.689  248.092   6.6355  258.213   6.8351 -10.12032 9.526216 
1 1 1   12    8    8 o  305.144   6.6808 14233.22  622.228 13673.50  1249.17 14417.92  717.587  298.304   13.720  307.039   7.6571 -8.734985 15.71181 
1 1 1   12    8    9 o  263.450   5.5008 10604.22  442.322 10604.22  442.322   0.0000   0.0000  263.450   5.5008  ?   ?  0.000000 5.500774 
1 1 1   12    8   10 o  131.256   3.8034  2630.68  152.373  2630.68  152.373   0.0000   0.0000  131.256   3.8034  ?   ?  0.000000 3.803416 
1 1 1   12    8   11 o  290.498   8.0010 12912.04  709.425 12912.04  709.425   0.0000   0.0000  290.498   8.0010  ?   ?  0.000000 8.001039 
1 1 1   12    8   12 o  457.277   10.908 32069.99  1522.44 31825.36  1650.19 33468.92  3946.24  455.321   11.874  459.918   28.248 -4.596649 30.64253 
1 1 1   12    8   13 o  134.638   3.5940  2767.98  147.693  2778.55  154.764  2660.19  494.282  134.891   3.7590  130.999   12.514 3.891617 13.06658 
1 1 1   12    8   14 o  290.404   8.4741 12911.59  751.123   0.0000   0.0000 12911.59  751.123  ?   ?   290.404   8.4741 0.000000 8.474060 
1 1 1   12    8   15 o  359.591   10.173 19827.12  1116.50   0.0000   0.0000 19827.12  1116.50  ?   ?   359.591   10.173 0.000000 10.17267 
1 1 1   12    8   16 o  643.820   12.367 63713.59  2430.31 62775.13  3437.59 64651.39  3436.38  636.685   17.689  646.271   17.421 -9.586121 24.82741 
1 1 1   12    8   17 o  446.210   8.2725 30486.09  1126.66 30714.35  1524.72 30211.57  1672.12  447.271   11.169  443.297   12.358 3.974121 16.65732 
1 1 1   12    8   18 o  321.287   6.1302 15782.84  601.150 16205.10  816.309 15282.49  888.591  325.314   8.2212  315.782   9.2193 9.532532 12.35246 
1 1 1   12    8   19 o  247.358   17.228  9523.16  1292.60  9523.16  1292.60   0.0000   0.0000  247.358   17.228  ?   ?  0.000000 17.22825 
1 1 1   12    8   20 o  189.365   10.278  5518.94  591.831  5421.00  852.713  5609.96  822.078  186.768   15.087  190.193   14.265 -3.425400 20.76336 
1 1 1   12    8   21 o  172.032   7.7848  4531.37  408.766  4684.52  740.341  4464.21  490.271  173.717   14.084  170.359   9.4661 3.357742 16.96958 
1 1 1   12    8   22 o  172.666   9.4758  4586.29  497.481  5031.35  738.084  4215.78  673.440  180.162   13.521  164.833   13.504 15.32907 19.10961 
1 1 1   12    8   23 o  283.183   9.8361 12306.47  850.177 11295.78  1206.27 13304.06  1198.43  270.002   14.693  293.749   13.367 -23.74728 19.86296 
1 1 1   12    8   24 o  417.062   9.2559 26680.15  1178.25 26747.08  2330.62 26657.17  1365.62  414.495   18.422  416.517   10.742 -2.022339 21.32498 
1 1 1   12    8   25 o   68.317   4.6764  716.545   96.925  818.472  136.056  611.514  138.112   72.889   6.1736   62.773   7.3474 10.11596 9.596750 
1 1 1   12    8   26 o  318.212   8.5067 15523.30  826.220 15469.80  903.081 15798.03  2046.61  317.520   9.3183  316.621   21.302 0.8996277 23.25061 
1 1 1   12    8   27 o  144.654   3.9933  3196.65  176.313  3109.45  257.857  3273.21  241.624  142.581   5.9252  146.314   5.4105 -3.733582 8.023775 
1 1 1   12    8   28 o  359.835   11.334 19926.09  1244.84 19649.50  1759.97 20202.98  1760.97  355.787   16.207  360.844   15.989 -5.057404 22.76625 
1 1 1   12    8   29 o   96.199   3.7986  1413.66  111.535  1689.21  408.395  1391.45  115.942  103.809   13.187   95.436   3.9803 8.373093 13.77440 
1 1 1   12    8   30 o  321.030   7.0308 15780.30  688.921 16859.29  1967.58 15629.54  735.477  327.556   19.773  319.413   7.5440 8.143524 21.16314 
1 1 1   12    8   31 o  406.562   6.5573 25298.89  813.703 25044.60  1408.39 25426.29  996.927  403.321   11.441  407.292   8.0194 -3.971191 13.97147 
1 1 1   12    8   32 o  178.685   3.5482  4876.78  193.513  4729.77  244.169  5125.08  317.328  175.923   4.5473  183.055   5.6795 -7.132111 7.275616 
1 1 1   12    8   33 o   90.587   3.3548  1253.31   92.758  1215.84  158.140  1272.96  114.529   88.961   5.8568   91.277   4.1109 -2.316238 7.155541 
1 1 1   12    8   34 o  240.265   4.9100  8824.70  360.068  8874.93  379.433  8369.93  1141.68  240.926   5.1598  231.519   16.259 9.407822 17.05841 
1 1 1   12    8   35 o  188.263   3.7989  5414.62  218.295  5227.98  273.496  5742.23  362.353  184.930   4.8454  193.714   6.1285 -8.784042 7.812565 
1 1 1   12    8   36 o  109.438   3.6184  1829.55  120.864  1875.75  196.983  1801.66  153.062  110.570   5.8577  108.567   4.6191 2.002792 7.459783 
1 1 1   12    8   37 o  217.790   4.4362  7249.76  294.893  7748.68  464.555  6913.03  381.647  224.932   6.7666  212.549   5.8828 12.38313 8.966264 
1 1 1   12    8   38 o  170.721   4.3771  4454.90  228.083  5047.40  337.093  3954.60  309.755  181.589   6.0820  160.715   6.3146 20.87404 8.767231 
1 1 1   12    8   39 o  156.291   3.9254  3732.74  187.255  4074.17  612.536  3697.54  196.670  161.850   12.496  155.541   4.1426 6.308670 13.16500 
1 1 1   12    8   40 o  211.336   3.2771  6822.69  211.387  7297.70  304.465  6380.62  293.718  218.469   4.5660  204.268   4.7110 14.20021 6.560595 
1 1 1   12    8   41 o  169.371   2.9311  4381.51  151.525  4759.52  224.124  4063.27  205.645  176.451   4.1615  163.037   4.1325 13.41428 5.864769 
1 1 1   12    8   42 o   68.118   3.4639  710.834   71.782  716.678  144.435  708.918   82.721   67.992   7.0629   67.982   4.0043 0.9918213E-02 8.119052 
1 1 1   12    8   43 o   75.640   3.0329  874.061   70.022  1065.63  160.312  828.898   77.839   83.133   6.3663   73.649   3.4627 9.484543 7.247064 
1 1 1   12    8   44 o   64.788   3.9181  644.125   77.115  814.518  146.581  578.918   90.677   72.555   6.6945   61.309   4.8863 11.24673 8.288078 
1 1 1   12    8   45 o   67.598   3.7767  700.843   77.610  652.073  171.860  713.336   86.984   64.421   8.9850   68.159   4.2016 -3.738686 9.918869 
1 1 1   12    8   46 o  371.259   6.6691 21172.66  755.721 21545.44  1114.51 20855.38  1028.20  373.115   9.7864  367.404   9.1689 5.711334 13.41054 
1 1 1   12    8   47 o  150.404   9.8449  3521.49  449.453  3793.38  820.438  3404.90  537.241  152.799   17.933  147.160   12.067 5.639267 21.61462 
1 1 1   12    8   48 o  142.834   3.9125  3122.30  170.570  3057.75  269.800  3165.28  220.148  141.038   6.2674  143.682   5.0199 -2.644302 8.029935 
1 1 1   12    8   49 o   36.663   6.0841  212.104   65.697  179.595  353.989  213.264   66.859   43.721   17.497   36.747   6.1803 6.973579 18.55617 
1 1 1   12    8   50 o  111.699   4.4253  1912.69  150.873  2049.50  184.525  1636.79  262.045  115.521   5.2333  102.387   8.4610 13.13377 9.948695 
1 1 1   12    8   51 o   59.763   9.6713  571.169  170.386  726.308  394.391  535.569  188.927   65.158   18.794   57.425   11.181 7.733849 21.86814 
1 1 1   12    8   52 o  107.100   4.6732  1761.18  152.764  2324.95  430.235  1679.84  163.413  120.583   11.842  104.534   5.1216 16.04895 12.90250 
1 1 1   12    9    0 o  393.794   17.440 23947.00  2086.81 23947.00  2086.81 23947.00  2086.81  393.794   17.440  393.794   17.440 0.000000 0.000000 
1 1 1   12    9    1 o  229.987   6.0049  8082.98  421.530  7943.80  499.748  8426.19  784.747  227.933   7.1833  234.456   10.966 -6.522339 13.10937 
1 1 1   12    9    2 o  344.859   15.199 18305.61  1599.79   0.0000   0.0000 18305.61  1599.79  ?   ?   344.859   15.199 0.000000 15.19858 
1 1 1   12    9    3 o  254.356   9.6651  9908.11  750.350  9224.79  1304.18 10246.23  917.397  243.822   17.644  258.457   11.629 -14.63498 21.13153 
1 1 1   12    9    4 f  505.176   9.4834 39080.10  1462.26 37657.70  1596.13 46508.23  3647.52  495.697   10.550  547.100   21.843 -51.40338 24.25723 
1 1 1   12    9    5 o  138.499   2.8735  2928.34  121.470  2941.58  153.063  2905.81  199.640  138.799   3.6130  137.928   4.7422 0.8715668 5.961709 
1 1 1   12    9    6 o  336.800   7.5983 17350.71  781.102 16971.54  890.112 18620.58  1628.93  332.975   8.7582  347.694   15.349 -14.71899 17.67219 
1 1 1   12    9    7 o  120.829   3.8847  2229.41  143.266  2192.51  163.262  2352.98  298.763  119.813   4.4644  123.759   7.9513 -3.946068 9.118892 
1 1 1   12    9    8 o  388.942   7.3472 23137.77  872.218 23056.85  1139.62 23252.20  1355.21  387.953   9.6242  389.294   11.405 -1.340881 14.92341 
1 1 1   12    9    9 o  396.951   10.646 24162.02  1289.89 24162.02  1289.89   0.0000   0.0000  396.951   10.646  ?   ?  0.000000 10.64628 
1 1 1   12    9   10 o  424.628   11.726 27680.96  1519.72 27680.96  1519.72   0.0000   0.0000  424.628   11.726  ?   ?  0.000000 11.72565 
1 1 1   12    9   11 o  189.718   5.6843  5500.81  329.154  5737.80  828.418  5456.38  358.682  192.532   14.197  188.923   6.2202 3.608139 15.50012 
1 1 1   12    9   12 o  178.314   4.7174  4857.34  256.750  4969.06  305.506  4588.71  473.748  180.318   5.5509  172.849   9.0109 7.468719 10.58344 
1 1 1   12    9   13 o   41.351   5.1407  265.298   63.482   0.0000   0.0000  265.298   63.482  ?   ?    41.351   5.1407 0.000000 5.140662 
1 1 1   12    9   14 f  177.855   5.9308  4835.55  321.958   0.0000   0.0000  4835.55  321.958  ?   ?   177.855   5.9308 0.000000 5.930844 
1 1 1   12    9   15 o  259.711   5.2714 10307.54  417.864 10295.15  439.153 10426.13  1358.57  259.536   5.5437  258.945   17.289 0.5908508 18.15571 
1 1 1   12    9   16 o  128.087   3.6758  2505.48  143.707  2495.18  150.838  2606.75  472.982  127.819   3.8663  129.671   12.090 -1.851891 12.69304 
1 1 1   12    9   17 o   98.840   3.8123  1492.01  115.010  1492.01  115.010   0.0000   0.0000   98.840   3.8123  ?   ?  0.000000 3.812303 
1 1 1   12    9   18 f  343.473   6.9065 18049.34  724.044 18034.00  1025.02 18064.61  1022.89  342.893   9.7939  343.189   9.7652 -0.2958374 13.83035 
1 1 1   12    9   19 o  370.369   7.3780 20995.80  834.043 20987.08  1180.58 21004.48  1178.45  369.744   10.461  369.902   10.438 -0.1580200 14.77774 
1 1 1   12    9   20 f   80.416   3.4011  987.538   83.479  1001.48  123.711  975.882  113.114   80.794   5.0418   79.782   4.6654 1.012627 6.869194 
1 1 1   12    9   21 o  205.014   4.6455  6422.27  290.692  6422.27  290.692   0.0000   0.0000  205.014   4.6455  ?   ?  0.000000 4.645501 
1 1 1   12    9   22 o  417.674   8.2509 26729.73  1051.85 26729.73  1051.85   0.0000   0.0000  417.674   8.2509  ?   ?  0.000000 8.250866 
1 1 1   12    9   23 o  382.625   9.1665 22455.84  1070.52 22385.45  1160.30 22858.64  2775.54  381.852   9.9554  379.754   24.070 2.097504 26.04774 
1 1 1   12    9   24 o  108.537   3.5711  1799.22  118.302  1744.78  176.279  1843.84  159.575  106.689   5.4313  109.841   4.7597 -3.151436 7.221752 
1 1 1   12    9   25 o   70.478   3.8628  761.029   82.777  834.369  596.558  759.589   83.586   73.306   23.526   70.408   3.9048 2.898331 23.84774 
1 1 1   12    9   26 o  297.078   6.0539 13500.76  548.935 12902.19  855.970 13918.91  715.421  289.884   9.6742  301.411   7.7765 -11.52707 12.41230 
1 1 1   12    9   27 o  325.364   4.5403 16177.63  450.891 16185.01  654.625 16170.97  621.941  325.193   6.5953  325.097   6.2679 0.9606934E-01 9.098565 
1 1 1   12    9   28 o  182.562   3.7371  5091.11  208.237  5302.38  313.835  4924.93  278.334  186.209   5.5219  179.487   5.0806 6.721954 7.503567 
1 1 1   12    9   29 o  116.978   3.6755  2090.22  131.231  2195.76  601.946  2084.95  134.465  117.594   17.287  116.828   3.7709 0.7659836 17.69334 
1 1 1   12    9   30 o  110.894   4.1270  1878.92  139.688  2142.17  581.021  1862.77  143.909  116.220   16.872  110.412   4.2703 5.807961 17.40427 
1 1 1   12    9   31 o  187.582   3.0344  5373.35  173.735  5588.04  254.075  5184.81  238.100  191.229   4.3530  184.207   4.2348 7.022400 6.073098 
1 1 1   12    9   32 o  294.233   4.7703 13232.88  428.409 13752.48  542.694 12373.62  697.888  299.826   5.9302  284.108   8.0479 15.71759 9.996825 
1 1 1   12    9   33 o  206.272   6.4276  6512.23  404.678  6512.23  404.678   0.0000   0.0000  206.272   6.4276  ?   ?  0.000000 6.427650 
1 1 1   12    9   34 o  469.524   9.1937 33849.23  1317.54 33849.23  1317.54   0.0000   0.0000  469.524   9.1937  ?   ?  0.000000 9.193662 
1 1 1   12    9   35 f  321.505   7.4970 15841.00  735.686 16161.19  877.412 15082.99  1350.02  324.469   8.8596  312.043   14.175 12.42572 16.71554 
1 1 1   12    9   36 o  348.703   5.2244 18595.91  556.043 20256.71  939.662 17700.99  689.774  363.316   8.4737  339.987   6.6470 23.32901 10.76967 
1 1 1   12    9   37 o  298.494   9.6001 13699.21  874.633 14694.77  1796.49 13389.92  1001.32  305.122   19.391  294.728   11.131 10.39359 22.35843 
1 1 1   12    9   38 o  160.692   3.3493  3944.51  164.273  4382.99  302.665  3761.40  195.589  169.222   5.8599  156.882   4.0847 12.33997 7.143020 
1 1 1   12    9   39 o  333.743   4.6023 17031.01  468.816 17756.57  682.636 16383.30  644.978  340.440   6.5695  327.032   6.4616 13.40881 9.214657 
1 1 1   12    9   40 o  225.827   4.2443  7796.34  292.547  8198.21  455.832  7514.89  381.475  231.312   6.4564  221.567   5.6408 9.744949 8.573453 
1 1 1   12    9   41 o  180.024   2.6824  4949.61  147.390  5405.05  223.822  4600.89  195.849  188.048   3.8996  173.509   3.6981 14.53824 5.374285 
1 1 1   12    9   42 o   42.681   3.5499  280.315   45.826  204.825  137.744  289.710   48.594   36.418   11.254   43.379   3.7057 -6.961510 11.84845 
1 1 1   12    9   43 o   90.586   3.2536  1253.89   89.959  1381.03  625.446  1251.20   90.904   90.675   22.662   90.487   3.2914 0.1879730 22.89948 
1 1 1   12    9   44 o  178.057   3.8628  4847.86  209.930  4865.63  253.188  4808.74  375.523  178.305   4.6522  176.952   6.9529 1.353149 8.365772 
1 1 1   12    9   45 o  291.662   5.3406 13035.46  475.434 13498.30  571.384 11993.89  857.156  296.554   6.3126  278.308   10.091 18.24588 11.90248 
1 1 1   12    9   46 o  110.269   3.8904  1860.14  130.939  1877.25  141.891  1762.00  339.881  110.753   4.1974  105.990   10.650 4.762802 11.44754 
1 1 1   12    9   47 o  154.796   4.9832  3673.12  235.442  3714.28  282.103  3578.62  427.407  155.515   5.9432  151.695   9.2757 3.820328 11.01631 
1 1 1   12    9   48 o  280.259   7.7186 12130.56  660.257 13179.84  1837.13 11974.93  707.530  280.362   21.636  278.183   8.3329 2.179810 23.18514 
1 1 1   12    9   49 o   21.435   6.3569   71.720   44.576  106.218  135.630   67.543   47.197   29.684   11.107   21.046   6.6015 8.637775 12.92043 
1 1 1   12    9   50 o   95.692   3.2312  1401.08   94.375  1842.04  470.143  1382.57   96.336  106.109   14.929   95.051   3.3206 11.05807 15.29419 
1 1 1   12    9   51 f   53.697   4.8668  446.426   78.898   0.0000   0.0000  446.426   78.898  ?   ?    53.697   4.8668 0.000000 4.866837 
1 1 1   12   10    0 o  118.391   11.216  2201.95  396.930  2201.95  396.930  2201.95  396.930  118.391   11.216  118.391   11.216 0.000000 0.000000 
1 1 1   12   10    1 o  159.695   4.6482  3895.50  226.566  4043.12  593.047  3870.27  245.163  161.825   12.094  159.164   5.0465 2.661530 13.10483 
1 1 1   12   10    2 o  332.037   7.4612 16864.76  756.157 16500.30  877.591 17915.14  1489.85  328.284   8.7584  341.150   14.308 -12.86612 16.77590 
1 1 1   12   10    3 o  282.648   10.501 12249.38  905.909 11975.63  1575.62 12384.57  1107.22  277.463   18.714  283.884   12.778 -6.421814 22.66081 
1 1 1   12   10    4 o  458.328   8.0755 32148.23  1129.69 32096.76  1243.80 32390.78  2699.98  457.824   8.9009  457.032   19.355 0.7922363 21.30375 
1 1 1   12   10    5 o  114.747   3.2277  2010.33  113.044  1973.28  123.332  2205.03  282.713  113.679   3.5545  119.795   7.7740 -6.115654 8.548054 
1 1 1   12   10    6 o  227.222   5.0933  7888.34  353.238  7650.60  402.313  8688.41  738.024  223.729   5.8915  238.063   10.157 -14.33383 11.74192 
1 1 1   12   10    7 f  194.297   5.4275  5768.89  321.869  6252.67  629.156  5597.39  374.602  201.682   10.254  191.337   6.4144 10.34473 12.09525 
1 1 1   12   10    8 o   46.548   14.476  331.778  227.499  331.778  227.499   0.0000   0.0000   46.548   14.476  ?   ?  0.000000 14.47613 
1 1 1   12   10    9 o  161.789   13.456  4055.24  658.475  4055.24  658.475   0.0000   0.0000  161.789   13.456  ?   ?  0.000000 13.45647 
1 1 1   12   10   10 o  151.880   5.4943  3525.36  254.702  3525.36  254.702   0.0000   0.0000  151.880   5.4943  ?   ?  0.000000 5.494344 
1 1 1   12   10   11 o   57.812   5.1315  514.724   89.608  475.755   96.250  768.187  245.470   55.492   5.7669   69.746   11.961 -14.25474 13.27899 
1 1 1   12   10   12 o  171.251   4.4661  4479.99  233.441   0.0000   0.0000  4479.99  233.441  ?   ?   171.251   4.4661 0.000000 4.466071 
1 1 1   12   10   13 o   98.926   2.9849  1494.16   90.127  1291.52  154.848  1597.98  110.835   91.755   5.5553  102.296   3.5498 -10.54005 6.592607 
1 1 1   12   10   14 o  299.124   8.5713 13705.92  782.555 13300.31  861.385 15622.70  1872.51  294.527   9.5820  316.346   19.488 -21.81836 21.71615 
1 1 1   12   10   15 o  288.758   4.9011 12740.82  431.963 12560.92  530.313 13095.52  744.630  286.617   6.0620  292.404   8.3434 -5.786499 10.31304 
1 1 1   12   10   16 o   56.110   3.5931  482.775   61.212  416.802   94.306  530.807   80.467   51.857   6.0732   58.771   4.5205 -6.913677 7.570881 
1 1 1   12   10   18 o  225.915   5.0100  7799.83  345.459  7235.36  490.209  8356.73  486.912  217.408   7.3874  233.701   6.8261 -16.29269 10.05827 
1 1 1   12   10   19 o  144.999   4.9551  3213.14  219.298  3221.29  597.763  3211.87  235.734  143.867   13.781  144.955   5.3281 -1.087326 14.77560 
1 1 1   12   10   20 o   76.604   3.6451  896.238   85.226  907.983  138.182  889.027  108.272   76.826   5.9390   76.132   4.6821 0.6939087 7.562663 
1 1 1   12   10   21 o  133.372   5.0058  2718.75  203.775  2654.25  222.856  3047.75  503.319  131.758   5.5415  140.235   11.870 -8.477249 13.10022 
1 1 1   12   10   22 o  208.545   5.4696  6649.48  348.154  6808.60  378.903  5786.75  882.265  210.995   5.8835  192.804   15.113 18.19109 16.21812 
1 1 1   12   10   23 o  223.810   3.9695  7652.03  271.164  7870.12  346.255  7306.14  436.059  226.910   4.9995  218.507   6.5383 8.403885 8.230670 
1 1 1   12   10   24 o  293.041   4.8937 13125.51  437.707 13185.89  556.629 13027.68  708.522  293.576   6.2119  291.577   7.9613 1.999268 10.09803 
1 1 1   12   10   25 o  373.559   9.2180 21415.37  1051.02 22659.87  2802.54 21211.69  1133.77  377.275   24.470  371.597   9.9962 5.678467 26.43265 
1 1 1   12   10   26 o  155.716   5.1308  3706.93  243.857  3947.95  859.386  3685.83  254.311  158.152   18.131  155.259   5.3665 2.892624 18.90819 
1 1 1   12   10   27 o  245.128   5.3635  9187.88  401.287  8686.63  598.572  9597.07  540.823  238.034   8.2387  250.347   7.0778 -12.31308 10.86146 
1 1 1   12   10   28 o   94.825   3.6384  1373.48  105.306  1327.13  167.375  1403.85  135.481   92.954   5.9303   95.840   4.6314 -2.886452 7.524521 
1 1 1   12   10   29 o  449.582   7.6358 30969.94  1047.81 30199.27  3573.81 31042.41  1095.97  433.283   27.161  450.026   7.9789 -16.74289 28.30860 
1 1 1   12   10   30 o  143.752   4.0786  3157.30  178.954  3567.68  500.393  3097.12  191.627  151.900   10.865  142.362   4.4101 9.538162 11.72551 
1 1 1   12   10   31 o  150.941   3.1338  3479.34  144.378  3703.65  251.410  3368.96  176.357  155.631   5.2926  148.499   3.8909 7.131943 6.568919 
1 1 1   12   10   32 o  180.558   4.5331  4982.61  249.822  4919.21  263.751  5535.75  779.035  179.389   4.8171  188.745   13.614 -9.356049 14.44119 
1 1 1   12   10   33 o   82.156   4.7568  1035.20  118.770  1035.20  118.770   0.0000   0.0000   82.156   4.7568  ?   ?  0.000000 4.756786 
1 1 1   12   10   34 o   93.712   3.3098  1341.32   94.670  1381.79  128.884  1293.90  139.513   95.084   4.4410   91.857   4.9949 3.226959 6.683626 
1 1 1   12   10   35 o  192.831   4.3337  5683.02  255.067  5927.38  699.630  5645.56  273.920  195.678   11.769  192.172   4.6700 3.505981 12.66155 
1 1 1   12   10   36 f  139.458   3.6441  2971.30  155.114  3215.02  256.118  2830.12  194.929  144.945   5.7892  136.056   4.6940 8.889008 7.453086 
1 1 1   12   10   37 o  267.321   5.0380 10929.50  411.064 11840.42  642.419 10297.98  534.902  277.858   7.5749  259.258   6.7597 18.59982 10.15248 
1 1 1   12   10   38 o  144.981   2.7680  3210.05  122.489  3753.80  245.150  3029.14  141.405  156.648   5.1273  140.816   3.2900 15.83157 6.092081 
1 1 1   12   10   39 o  249.112   4.0062  9485.21  304.612 10079.02  399.124  8656.81  471.418  256.669   5.0947  237.686   6.4981 18.98271 8.257165 
1 1 1   12   10   40 o   81.537   2.9941  1015.54   74.513  1107.69  122.784  961.820   93.751   84.965   4.7537   79.327   3.8720 5.637962 6.131074 
1 1 1   12   10   41 o   90.102   3.6852  1240.81  101.348  1273.27  591.619  1239.83  102.868   87.364   22.154   90.064   3.7421 -2.699715 22.46829 
1 1 1   12   10   42 o   64.589   3.6132  639.643   70.947  614.326  140.586  648.293   82.178   62.802   7.4815   64.977   4.1656 -2.175148 8.562964 
1 1 1   12   10   43 o   89.017   4.2392  1212.12  115.180  1215.18  129.307  1200.38  253.422   88.974   4.7790   87.654   9.6310 1.319847 10.75154 
1 1 1   12   10   44 o  108.322   5.3593  1798.02  177.192  1446.52  776.241  1817.34  181.997   91.537   26.355  108.753   5.5007 -17.21594 26.92337 
1 1 1   12   10   45 o  149.012   3.3578  3394.71  152.717  3319.87  203.061  3492.16  231.714  147.255   4.5179  150.970   5.0286 -3.715012 6.760053 
1 1 1   12   10   46 o  183.189   4.0849  5136.41  228.401  5379.44  342.373  4941.52  306.597  187.156   5.9935  179.449   5.5977 7.707489 8.200964 
1 1 1   12   10   47 o   98.828   3.9898  1495.23  120.350  1501.12  725.153  1495.06  122.043   91.946   25.125   98.818   4.0463 -6.872169 25.44834 
1 1 1   12   10   48 o   18.101   6.2025   46.114   41.284   34.549  147.110   47.103   43.013   26.724   11.057   18.365   6.3290 8.359848 12.74058 
1 1 1   12   10   49 o  131.996   5.1535  2676.15  207.626   0.0000   0.0000  2676.15  207.626  ?   ?   131.996   5.1535 0.000000 5.153515 
1 1 1   12   10   50 o  119.502   4.9722  2193.82  181.361   0.0000   0.0000  2193.82  181.361  ?   ?   119.502   4.9722 0.000000 4.972220 
1 1 1   12   11    0 o  135.938   11.790  2892.67  480.726  2892.67  480.726  2892.67  480.726  135.938   11.790  135.938   11.790 0.000000 0.000000 
1 1 1   12   11    1 o  379.463   8.9748 22057.45  1039.47 22149.83  1126.51 21528.00  2696.82  380.136   9.7091  369.923   24.015 10.21237 25.90325 
1 1 1   12   11    2 o  197.074   6.6614  5939.47  400.692  5619.29  566.922  6259.07  566.406  191.218   9.7459  202.119   9.1813 -10.90092 13.38949 
1 1 1   12   11    3 o  575.137   10.189 50727.48  1788.64 53140.99  4280.21 50216.85  1968.78  582.210   24.086  571.922   11.278 10.28760 26.59598 
1 1 1   12   11    4 o  287.470   7.1578 12642.22  628.040 15488.56  1651.35 12160.90  679.068  315.927   17.190  281.871   7.8931 34.05579 18.91543 
1 1 1   12   11    5 o  411.422   10.555 25969.40  1325.48 28241.24  3187.09 25494.28  1457.51  423.371   24.772  407.391   11.721 15.98080 27.40475 
1 1 1   12   11    6 o  126.850   3.4103  2457.02  132.037  2783.61  190.482  2154.96  183.188  134.986   4.6233  118.757   5.0538 16.22843 6.849499 
1 1 1   12   11    7 o  227.017   4.7811  7873.84  331.288  8640.51  470.642  7120.89  466.412  237.702   6.4870  215.747   7.0828 21.95479 9.604543 
1 1 1   12   11    8 o  172.505   5.0606  4547.16  266.455  4643.94  293.425  4092.10  636.259  174.311   5.5151  162.581   12.929 11.73029 14.05573 
1 1 1   12   11    9 f  166.583   5.1013  4240.48  259.374  4283.96  285.837  4037.74  617.220  167.413   5.5939  161.537   12.619 5.876297 13.80293 
1 1 1   12   11   10 o  250.517   3.8900  9585.06  297.445  9809.39  379.318  9226.85  479.318  253.374   4.9048  245.632   6.3933 7.742996 8.057979 
1 1 1   12   11   11 o  270.891   6.9481 11226.79  574.480 11118.20  622.991 11843.74  1484.94  269.515   7.5732  275.814   17.733 -6.298462 19.28248 
1 1 1   12   11   12 o  151.029   5.0948  3485.78  234.859  3103.08  717.319  3531.74  248.559  140.541   17.073  152.011   5.3572 -11.46950 17.89351 
1 1 1   12   11   13 o  232.441   5.5276  8258.89  392.160  8057.51  1123.17  8286.85  418.499  227.617   16.274  232.809   5.8895 -5.192291 17.30699 
1 1 1   12   11   14 o  286.012   5.1569 12502.09  450.184 12871.56  927.775 12388.31  514.857  289.549   10.498  284.641   5.9261 4.908264 12.05509 
1 1 1   12   11   15 o  392.751   17.121 23924.43  2052.44 24374.72  2910.34 23478.90  2894.90  392.513   24.413  385.009   24.766 7.504181 34.77604 
1 1 1   12   11   16 o  153.657   5.4692  3609.36  256.504   0.0000   0.0000  3609.36  256.504  ?   ?   153.657   5.4692 0.000000 5.469203 
1 1 1   12   11   17 o  394.974   10.049 23947.60  1211.44 23977.06  1332.89 23807.67  2904.74  394.975   11.056  387.472   24.690 7.502380 27.05232 
1 1 1   12   11   18 o  317.966   6.1471 15463.99  596.575 15961.55  809.508 14872.54  882.591  322.757   8.2173  311.380   9.2865 11.37714 12.40012 
1 1 1   12   11   19 o  344.750   6.5679 18185.76  691.115 18791.24  937.164 17463.91  1023.27  350.084   8.7705  337.270   9.9402 12.81366 13.25633 
1 1 1   12   11   20 o   77.843   5.3316  930.710  125.912  794.189  135.957  1753.60  333.788   71.779   6.2685  106.337   10.418 -34.55771 12.15845 
1 1 1   12   11   21 o  382.245   7.4417 22376.69  868.219 22232.10  913.109 23739.69  2803.53  380.932   7.8534  386.819   23.862 -5.886078 25.12112 
1 1 1   12   11   22 o  321.491   6.2756 15813.58  615.797 15976.75  836.646 15620.70  909.665  322.804   8.4915  319.031   9.3418 3.773132 12.62442 
1 1 1   12   11   23 o  291.318   5.3887 12976.36  479.144 13420.25  683.471 12547.37  671.901  295.984   7.5654  286.179   7.6922 9.805786 10.78916 
1 1 1   12   11   24 f  156.216   3.8915  3728.02  185.550  3987.66  290.674  3549.45  241.053  161.458   5.8983  152.369   5.1832 9.089233 7.852117 
1 1 1   12   11   25 o   23.206   7.1172   82.420   55.208  153.597  136.654   68.536   60.353   32.994   11.285   22.047   7.4996 10.94660 13.54950 
1 1 1   12   11   26 o   50.324   6.6065  394.252   99.024  379.880  105.834  495.276  280.597   49.282   7.2528   55.758   15.778 -6.475304 17.36529 
1 1 1   12   11   27 o  137.830   4.3638  2902.99  183.581  3043.04  217.745  2558.74  341.384  141.084   5.0565  128.855   8.7316 12.22878 10.09009 
1 1 1   12   11   28 o  180.132   5.4190  4961.92  297.938  4851.00  354.785  5227.29  548.749  178.025   6.5293  184.207   9.7952 -6.181854 11.77190 
1 1 1   12   11   29 o  335.227   6.1914 17195.98  633.497 17413.42  903.642 16985.84  888.355  336.884   8.7882  332.730   8.7474 4.153473 12.39953 
1 1 1   12   11   30 f  350.621   5.6419 18803.57  603.779 18611.85  767.547 19114.78  977.909  348.580   7.2142  352.880   9.0793 -4.300049 11.59649 
1 1 1   12   11   31 o  107.796   3.0006  1774.50   98.727  1762.66  136.598  1787.45  142.853  107.404   4.1668  108.151   4.3276 -0.7470627 6.007530 
1 1 1   12   11   32 o  196.581   5.4304  5910.42  325.829  6133.74  360.424  4911.72  762.182  200.221   5.8977  177.540   14.184 22.68091 15.36089 
1 1 1   12   11   33 o   69.276   4.2029  736.088   88.450  787.099  107.270  627.749  156.329   71.580   4.9401   63.443   8.2697 8.136539 9.632907 
1 1 1   12   11   34 o  330.559   6.1054 16725.12  615.995 17171.04  873.364 16283.69  868.950  334.461   8.5552  325.663   8.7420 8.798096 12.23168 
1 1 1   12   11   35 o  270.288   4.7884 11170.35  395.030 11528.60  480.977 10427.82  692.446  274.474   5.7412  260.581   8.7062 13.89377 10.42876 
1 1 1   12   11   36 o  196.680   13.370  6021.60  797.835  6381.57  1086.49  5600.35  1175.36  200.977   17.899  186.993   20.954 13.98346 27.55787 
1 1 1   12   11   37 o  317.900   5.8886 15472.11  571.373 16312.63  848.213 14773.90  773.088  325.854   8.5284  310.190   8.1655 15.66339 11.80713 
1 1 1   12   11   38 o  293.256   4.2758 13147.80  382.716 13462.13  541.113 12833.17  541.370  296.489   5.9795  289.455   6.1277 7.034119 8.561687 
1 1 1   12   11   39 o  258.072   4.7831 10188.25  376.760 10596.64  561.289  9853.36  508.283  262.839   6.9965  253.530   6.5684 9.309738 9.596596 
1 1 1   12   11   40 o  238.516   4.0171  8697.64  292.449  9569.65  524.708  8304.69  352.232  249.754   6.8832  232.957   4.9538 16.79720 8.480430 
1 1 1   12   11   41 o  208.049   3.6504  6616.28  231.805  6912.13  430.010  6495.08  275.218  212.260   6.6373  206.063   4.3758 6.196350 7.949974 
1 1 1   12   11   42 o  150.851   2.9248  3476.70  134.667  3322.15  203.956  3596.17  179.312  147.345   4.5351  153.360   3.8307 -6.015121 5.936439 
1 1 1   12   11   43 o   19.829   6.1857   59.807   41.502  144.118  406.492   58.919   41.720   45.322   18.525   19.728   6.2097 25.59417 19.53836 
1 1 1   12   11   44 o  118.716   3.5201  2155.01  127.550  2457.48  227.706  2016.72  153.973  126.551   5.8951  114.781   4.3950 11.77020 7.353118 
1 1 1   12   11   45 o   43.241   4.6748  289.750   60.716  364.626   99.999  246.029   76.413   48.183   7.0047   39.486   6.5712 8.697495 9.604473 
1 1 1   12   11   46 o   69.092   10.937  762.475  222.959  714.431  679.689  768.268  236.018   68.261   24.986   69.182   11.587 -0.9217529 27.54150 
1 1 1   12   11   47 o  148.091   4.7435  3363.37  214.408  3440.29  285.492  3263.86  324.717  149.504   6.2564  145.207   7.3505 4.297150 9.652580 
1 1 1   12   11   48 o  127.648   9.2572  2550.60  358.219   0.0000   0.0000  2550.60  358.219  ?   ?   127.648   9.2572 0.000000 9.257169 
1 1 1   12   11   49 o   44.938   5.8164  315.985   77.906   0.0000   0.0000  315.985   77.906  ?   ?    44.938   5.8164 0.000000 5.816362 
1 1 1   12   11   50 o   57.676   14.723  559.121  260.068   0.0000   0.0000  559.121  260.068  ?   ?    57.676   14.723 0.000000 14.72302 
1 1 1   12   12    0 o  344.484   9.0282 18186.93  947.788 18186.93  947.788 18186.93  947.788  344.484   9.0282  344.484   9.0282 0.000000 0.000000 
1 1 1   12   12    1 o  139.496   4.2716  2972.45  181.876  2893.06  196.664  3441.54  478.064  137.608   4.6824  149.382   10.553 -11.77417 11.54506 
1 1 1   12   12    2 o  172.102   4.9428  4525.84  259.645  4531.69  281.029  4491.69  678.607  172.195   5.3470  170.316   13.156 1.879410 14.20114 
1 1 1   12   12    3 o  178.178   5.3344  4852.02  290.105  4852.02  290.105   0.0000   0.0000  178.178   5.3344  ?   ?  0.000000 5.334399 
1 1 1   12   12    4 o  216.872   4.6179  7185.69  305.680  7855.47  434.659  6530.28  429.971  226.649   6.2832  206.612   6.8182 20.03687 9.271750 
1 1 1   12   12    5 o  257.424   5.4445 10128.64  427.787 10038.65  606.761 10217.58  603.218  256.076   7.7630  258.360   7.6495 -2.283783 10.89859 
1 1 1   12   12    6 o  126.064   3.5148  2426.88  135.242  2477.89  195.729  2380.28  187.085  127.339   5.0359  124.810   4.9110 2.529190 7.034103 
1 1 1   12   12    7 o  353.328   8.1890 19119.38  883.138 19542.32  947.002 16297.17  2446.30  357.136   8.6876  320.581   25.204 36.55539 26.65934 
1 1 1   12   12    8 o   60.848   4.6228  568.951   85.215  580.770   94.601  518.098  196.229   61.437   5.0907   57.037   11.665 4.399933 12.72758 
1 1 1   12   12    9 o   41.032   5.7069  262.331   69.538  267.913   78.894  242.895  147.212   41.362   6.4605   39.404   11.516 1.958195 13.20425 
1 1 1   12   12   10 o   49.854   4.6223  383.001   69.536  405.997   85.596  338.374  119.242   51.235   5.5630   46.234   8.7708 5.000843 10.38619 
1 1 1   12   12   11 o  158.169   4.6984  3822.62  226.826  4506.51  748.953  3753.55  238.003  170.244   14.553  156.722   4.9755 13.52170 15.38028 
1 1 1   12   12   12 o  263.355   5.3727 10601.71  431.871 10168.88  649.789 10944.20  578.010  257.637   8.2632  267.415   7.0816 -9.777435 10.88253 
1 1 1   12   12   13 o  173.261   5.1376  4588.23  271.692  4590.27  296.501  4577.51  678.494  173.275   5.6063  171.875   13.030 1.399170 14.18528 
1 1 1   12   12   14 o  343.282   6.1138 18023.40  640.585 18358.22  955.349 17749.90  863.453  346.009   9.0460  340.354   8.3117 5.654907 12.28476 
1 1 1   12   12   15 f   60.586   4.4440  563.848   81.606  602.510  104.086  502.170  131.465   62.535   5.5095   56.735   7.7979 5.800152 9.547853 
1 1 1   12   12   16 o  264.427   4.1876 10682.18  337.979 11172.27  506.977 10290.13  453.440  270.259   6.1460  259.409   5.7269 10.84991 8.400600 
1 1 1   12   12   17 f   48.431   3.4753  360.070   51.031  393.205   76.118  333.018   68.778   50.473   5.0070   46.418   4.9300 4.055180 7.026716 
1 1 1   12   12   18 o  267.442   6.8313 10947.74  557.634 10954.96  605.115 10907.03  1436.09  267.461   7.4124  264.102   17.921 3.358826 19.39383 
1 1 1   12   12   19 o  193.450   6.1634  5725.10  363.922  5725.10  363.922   0.0000   0.0000  193.450   6.1634  ?   ?  0.000000 6.163436 
1 1 1   12   12   20 f  208.495   4.3499  6642.23  276.817  6726.67  291.120  5845.66  894.152  209.804   4.5461  193.673   15.249 16.13052 15.91261 
1 1 1   12   12   21 o  268.228   6.8786 11014.38  563.144 10965.41  610.667 11292.81  1456.05  267.555   7.4778  268.634   17.860 -1.079224 19.36219 
1 1 1   12   12   22 o  254.560   5.0623  9906.40  393.326  9676.84  562.291 10126.35  550.393  251.355   7.3292  257.167   7.0120 -5.811020 10.14322 
1 1 1   12   12   23 f  240.671   6.3851  8864.26  469.039  9476.73  1328.57  8777.06  501.320  245.939   17.819  239.433   6.8598 6.506058 19.09419 
1 1 1   12   12   24 o  143.892   8.8147  3188.44  385.267   0.0000   0.0000  3188.44  385.267  ?   ?   143.892   8.8147 0.000000 8.814674 
1 1 1   12   12   25 o  177.659   5.0404  4825.33  273.316  4920.63  324.714  4593.72  506.214  179.344   5.9319  172.675   9.6433 6.669418 11.32174 
1 1 1   12   12   26 o  238.481   4.8131  8693.53  350.342  9643.88  524.645  7928.71  470.658  250.971   6.8490  227.569   6.7760 23.40154 9.634470 
1 1 1   12   12   27 o   63.287   3.4303  613.545   66.014  685.637  100.441  558.720   87.590   66.786   4.9627   60.267   4.8014 6.519005 6.905245 
1 1 1   12   12   28 f   54.231   4.3929  452.394   72.090  542.238  158.219  428.856   80.984   58.754   9.1182   52.717   5.0966 6.036880 10.44595 
1 1 1   12   12   29 o  319.287   5.8161 15595.78  566.799 16351.65  809.437 14868.58  793.937  326.557   8.1210  311.353   8.3544 15.20392 11.65102 
1 1 1   12   12   30 o  216.271   4.5070  7148.81  297.514  6900.58  432.605  7371.57  409.815  212.294   6.6763  219.477   6.1176 -7.182938 9.055291 
1 1 1   12   12   31 f  264.197   5.2768 10674.71  425.516 10735.09  448.269 10124.86  1352.80  264.914   5.5439  254.066   17.553 10.84816 18.40727 
1 1 1   12   12   32 o   65.466   5.2661  659.688  104.335  630.252  113.271  824.469  267.999   63.910   5.8725   72.032   12.651 -8.122540 13.94771 
1 1 1   12   12   33 o  332.142   8.1055 16925.69  821.711 16969.45  892.874 16683.55  2100.40  332.414   8.8002  324.064   21.355 8.349304 23.09694 
1 1 1   12   12   34 o  185.101   6.0932  5245.27  344.248  5245.27  344.248   0.0000   0.0000  185.101   6.0932  ?   ?  0.000000 6.093208 
1 1 1   12   12   35 o  176.769   4.3962  4776.88  237.191  4960.27  353.153  4626.17  320.147  179.954   6.4296  173.826   6.0342 6.128098 8.817637 
1 1 1   12   12   36 o  174.153   4.3288  4636.73  230.101  4963.37  343.879  4371.92  309.634  180.011   6.2588  168.970   6.0037 11.04085 8.672778 
1 1 1   12   12   37 o   39.808   5.6516  247.407   66.740  267.632  153.352  242.681   74.128   41.081   11.678   39.297   6.4006 1.783913 13.31716 
1 1 1   12   12   38 f   54.472   4.1856  456.330   69.058  470.448  117.219  448.824   85.465   54.916   7.1639   53.897   5.2623 1.019047 8.888941 
1 1 1   12   12   39 o  128.904   2.9204  2538.27  114.902  2318.27  221.494  2619.27  134.400  123.008   5.8994  130.924   3.3633 -7.915634 6.790813 
1 1 1   12   12   40 o   85.700   2.6413  1121.81   69.089  930.378  151.097  1172.42   77.686   77.621   6.4357   87.604   2.9054 -9.983208 7.061141 
1 1 1   12   12   41 o  110.504   3.8296  1867.15  129.166  1795.23  438.653  1873.98  135.158  106.297   13.849  110.696   4.0003 -4.398987 14.41535 
1 1 1   12   12   42 o  181.227   3.7317  5022.36  206.417  4977.61  257.251  5103.25  345.879  180.315   4.6742  182.357   6.2142 -2.041290 7.775902 
1 1 1   12   12   43 o  107.382   3.7168  1763.60  121.819  1747.94  138.854  1815.96  253.836  106.867   4.2569  108.302   7.7296 -1.435219 8.824334 
1 1 1   12   12   44 o   76.429   2.5641  892.501   59.815  870.350  107.098  902.543   72.110   75.228   4.6876   76.838   3.0747 -1.609962 5.605964 
1 1 1   12   12   45 o  146.650   3.1969  3288.73  143.097  3472.63  277.235  3221.94  167.073  150.305   6.0431  145.096   3.7725 5.209351 7.123944 
1 1 1   12   12   46 o   42.314   3.6933  276.134   47.221  158.762  151.460  288.771   49.698   33.665   11.860   43.266   3.8020 -9.600220 12.45430 
1 1 1   12   12   47 o  117.158   3.5212  2101.05  125.917  2122.60  748.125  2100.43  127.740  109.526   23.106  117.136   3.5729 -7.610100 23.38037 
1 1 1   12   12   48 o   26.640   7.5878  112.713   64.676   0.0000   0.0000  112.713   64.676  ?   ?    26.640   7.5878 0.000000 7.587820 
1 1 1   12   12   49 o   89.618   4.9363  1237.96  134.503   0.0000   0.0000  1237.96  134.503  ?   ?    89.618   4.9363 0.000000 4.936253 
1 1 1   12   13    0 o  359.527   8.4959 19800.46  931.127 19800.46  931.127 19800.46  931.127  359.527   8.4959  359.527   8.4959 0.000000 0.000000 
1 1 1   12   13    1 o  337.901   7.9752 17485.75  822.519 17458.01  891.394 17644.74  2133.98  337.529   8.6525  335.392   20.951 2.136475 22.66721 
1 1 1   12   13    2 o  186.530   5.5875  5319.02  318.116  5318.63  349.876  5320.87  764.142  186.490   6.1467  185.295   13.606 1.194214 14.93030 
1 1 1   12   13    3 o   39.776   11.196  249.644  141.676  382.958  279.953  203.746  164.264   50.297   16.113   37.335   12.370 12.96228 20.31390 
1 1 1   12   13    4 o   38.349   4.5239  227.815   51.934  156.653  283.966  230.277   52.825   40.623   15.852   38.552   4.5788 2.071098 16.49991 
1 1 1   12   13    5 o   72.052   6.8151  801.380  148.097  740.730  342.180  815.359  164.281   67.818   16.653   72.593   7.5236 -4.775032 18.27343 
1 1 1   12   13    6 o  312.465   7.6039 14948.72  725.192 15351.25  798.265 13047.16  1735.03  316.551   8.2620  288.574   19.819 27.97650 21.47178 
1 1 1   12   13    7 o  246.599   6.0703  9299.96  456.899  9658.32  503.210  7617.43  1090.36  251.261   6.5616  221.183   16.265 30.07838 17.53882 
1 1 1   12   13    8 o  211.194   4.1577  6813.66  268.012  6933.31  295.930  6267.75  632.102  213.019   4.5515  201.784   10.297 11.23470 11.25852 
1 1 1   12   13    9 o   39.408   6.5078  243.855   75.545  276.221  107.328  212.074  106.351   41.680   8.7169   36.507   9.4654 5.173450 12.86775 
1 1 1   12   13   10 o  246.567   5.0547  9292.01  380.403  8757.08  572.719  9714.31  508.865  239.111   7.8474  251.972   6.6166 -12.86147 10.26453 
1 1 1   12   13   11 o   68.715   6.0152  727.638  124.888  667.441  142.895  922.343  256.990   65.632   7.2545   76.642   11.327 -11.00933 13.45107 
1 1 1   12   13   12 o  242.947   11.293  9077.27  837.396   0.0000   0.0000  9077.27  837.396  ?   ?   242.947   11.293 0.000000 11.29281 
1 1 1   12   13   13 o  274.520   5.2137 11520.21  436.858 11702.50  652.317 11371.96  588.259  276.406   7.7320  272.557   7.0712 3.849731 10.47791 
1 1 1   12   13   14 o  164.000   9.3595  4140.37  466.562  4353.90  694.268  3964.51  630.036  167.385   13.709  159.816   13.029 7.568832 18.91336 
1 1 1   12   13   15 o  153.407   8.8899  3621.47  414.468  4323.02  629.814  3085.57  550.461  167.037   12.443  140.867   12.948 26.16972 17.95709 
1 1 1   12   13   16 o  116.918   3.0817  2087.46  109.974  2174.64  168.371  2022.60  145.236  119.289   4.6243  115.059   4.1356 4.229584 6.203821 
1 1 1   12   13   17 o   90.760   3.1186  1257.92   86.390  1393.39  138.103  1170.83  110.731   95.482   4.7388   87.540   4.1442 7.941803 6.295270 
1 1 1   12   13   18 o   77.340   5.2202  918.656  122.507  918.656  122.507   0.0000   0.0000   77.340   5.2202  ?   ?  0.000000 5.220170 
1 1 1   12   13   19 o   97.076   5.6379  1446.08  166.330  1446.08  166.330   0.0000   0.0000   97.076   5.6379  ?   ?  0.000000 5.637908 
1 1 1   12   13   20 o   76.798   3.8170  900.991   89.472  934.378   93.910  572.603  294.521   78.106   3.9521   59.696   15.885 18.40957 16.36946 
1 1 1   12   13   21 o  228.784   4.0460  7997.05  282.535  8252.51  348.967  7510.96  481.373  232.347   4.9207  221.460   7.1214 10.88669 8.656140 
1 1 1   12   13   22 o  400.136   10.437 24619.49  1274.68   0.0000   0.0000 24619.49  1274.68  ?   ?   400.136   10.437 0.000000 10.43704 
1 1 1   12   13   23 o   99.602   8.4604  1532.38  254.769   0.0000   0.0000  1532.38  254.769  ?   ?    99.602   8.4604 0.000000 8.460422 
1 1 1   12   13   24 f  117.231   4.3225  2100.10  154.665  3075.38  576.810  2024.55  160.544  140.407   13.631  115.094   4.5701 25.31299 14.37695 
1 1 1   12   13   25 o  176.617   3.3574  4764.27  180.990  5124.45  234.549  4234.15  284.555  183.130   4.1962  166.383   5.6033 16.74753 7.000344 
1 1 1   12   13   26 o  147.456   3.7031  3321.54  166.667  3569.44  252.274  3129.54  222.020  152.775   5.4101  143.069   5.0843 9.706055 7.424200 
1 1 1   12   13   27 o  368.134   11.144 20868.07  1252.18 22379.77  1806.47 19469.96  1737.27  379.621   15.591  353.887   16.084 25.73447 22.39980 
1 1 1   12   13   28 o  218.106   5.3874  7275.29  358.642  7564.65  424.794  6557.12  669.213  222.318   6.2602  206.149   10.672 16.16882 12.37283 
1 1 1   12   13   29 o  172.982   6.2923  4580.19  332.221  4580.19  332.221   0.0000   0.0000  172.982   6.2923  ?   ?  0.000000 6.292296 
1 1 1   12   13   30 o   96.556   4.6572  1425.21  137.255  1425.21  137.255   0.0000   0.0000   96.556   4.6572  ?   ?  0.000000 4.657245 
1 1 1   12   13   31 o  385.276   7.7417 22762.36  910.387 22762.36  910.387   0.0000   0.0000  385.276   7.7417  ?   ?  0.000000 7.741725 
1 1 1   12   13   32 o   59.655   5.1644  548.368   93.106  693.131  454.908  542.039   95.119   66.170   20.453   59.291   5.3125 6.879814 21.13121 
1 1 1   12   13   33 o   28.957   9.4361  124.264   95.735  122.696  101.953  135.954  278.388   29.123   9.7482   39.407   15.598 -10.28395 18.39364 
1 1 1   12   13   34 o  118.821   5.0723  2159.71  183.956  2302.60  233.890  1927.97  297.865  122.453   6.2790  111.661   8.8114 10.79215 10.81970 
1 1 1   12   13   35 o   96.458   3.7167  1421.81  109.424  1494.96  210.614  1394.77  128.065   98.489   7.0529   95.511   4.3930 2.977943 8.309142 
1 1 1   12   13   36 o  198.929   11.419  6138.99  690.420  6682.59  1106.09  5791.98  883.721  205.250   17.833  192.002   15.204 13.24869 23.43462 
1 1 1   12   13   37 o   57.283   4.2114  504.432   73.117   0.0000   0.0000  504.432   73.117  ?   ?    57.283   4.2114 0.000000 4.211429 
1 1 1   12   13   38 o  217.388   6.0572  7242.84  401.909   0.0000   0.0000  7242.84  401.909  ?   ?   217.388   6.0572 0.000000 6.057233 
1 1 1   12   13   39 o   74.926   3.0142  857.731   68.933  1032.62  575.097  855.181   69.433   78.696   22.693   74.814   3.0406 3.881393 22.89591 
1 1 1   12   13   40 o  187.352   4.2100  5369.65  240.747  5558.54  355.188  5209.13  327.439  190.366   6.1130  184.329   5.8200 6.036789 8.440393 
1 1 1   12   13   41 o   85.752   4.2081  1125.15  110.141  1124.23  118.094  1131.34  305.295   85.579   4.5373   84.360   12.212 1.218956 13.02759 
1 1 1   12   13   42 o  139.225   3.9905  2965.85  169.576  2902.91  189.903  3213.54  376.722  137.690   4.5187  143.995   8.6110 -6.305222 9.724568 
1 1 1   12   13   43 o  105.562   3.8336  1705.10  123.518  1467.60  421.788  1727.38  129.181   95.127   15.026  106.238   3.9839 -11.11066 15.54501 
1 1 1   12   13   44 o   79.165   3.0928  958.271   74.731  900.682  110.871  1006.22  101.165   76.501   4.7720   80.959   4.1075 -4.457405 6.296307 
1 1 1   12   13   45 o   23.691   7.2647   86.763   57.523   26.802  140.927   98.750   63.011   25.873   10.773   25.168   7.5795 0.7052727 13.17245 
1 1 1   12   13   46 o   68.418   3.2847  716.269   68.594   0.0000   0.0000  716.269   68.594  ?   ?    68.418   3.2847 0.000000 3.284726 
1 1 1   12   13   47 o   91.995   3.3312  1295.41   93.536   0.0000   0.0000  1295.41   93.536  ?   ?    91.995   3.3312 0.000000 3.331177 
1 1 1   12   13   48 o  185.013   6.1997  5282.30  350.097   0.0000   0.0000  5282.30  350.097  ?   ?   185.013   6.1997 0.000000 6.199673 
1 1 1   12   14    1 o   88.198   8.7846  1204.28  233.334  1318.19  334.882  1096.79  325.296   91.736   12.267   83.347   13.229 8.388672 18.04140 
1 1 1   12   14    2 o  341.210   8.4364 17843.32  878.609 18168.47  966.926 16303.37  2104.29  344.165   9.2047  321.742   21.553 22.42291 23.43581 
1 1 1   12   14    3 o  377.464   9.5539 21863.15  1100.71 21951.17  1211.56 21447.08  2634.21  378.009   10.501  368.109   23.569 9.899475 25.80250 
1 1 1   12   14    4 o  184.777   9.7242  5254.53  546.497  5254.53  546.497   0.0000   0.0000  184.777   9.7242  ?   ?  0.000000 9.724195 
1 1 1   12   14    5 o  221.456   11.146  7559.48  750.973  7559.48  750.973   0.0000   0.0000  221.456   11.146  ?   ?  0.000000 11.14581 
1 1 1   12   14    6 o  322.243   6.3441 15886.20  623.984 17201.55  884.299 14581.82  880.606  334.966   8.6493  308.286   9.3586 26.67960 12.74340 
1 1 1   12   14    7 o   86.982   4.2549  1155.93  112.963  1203.55  125.156  946.660  262.380   88.625   4.6429   77.642   11.412 10.98357 12.32064 
1 1 1   12   14    8 o  132.139   8.5446  2687.82  342.775  2898.23  529.776  2536.31  449.557  136.520   12.866  127.863   11.647 8.657852 17.35442 
1 1 1   12   14    9 o  212.116   4.5655  6875.48  295.580  7163.65  450.878  6658.30  391.424  216.341   6.8282  208.628   6.1469 7.712463 9.187401 
1 1 1   12   14   10 f  136.269   4.7724  2837.99  198.496  2796.61  243.589  2919.79  342.451  135.221   5.9020  137.787   8.1794 -2.566483 10.08646 
1 1 1   12   14   11 o   86.628   3.9221  1146.38  103.703   0.0000   0.0000  1146.38  103.703  ?   ?    86.628   3.9221 0.000000 3.922096 
1 1 1   12   14   12 o  147.687   7.1722  3339.80  323.302  3685.43  626.334  3214.27  377.478  153.927   13.467  144.527   8.5958 9.399643 15.97636 
1 1 1   12   14   13 o  228.036   4.5187  7946.55  314.512  8734.38  471.817  7316.51  421.928  238.905   6.4704  218.669   6.3217 20.23549 9.045984 
1 1 1   12   14   14 o   70.996   3.6630  771.970   79.106  785.710   91.638  731.788  156.713   71.586   4.2125   68.699   7.6010 2.887001 8.690309 
1 1 1   12   14   15 o  155.936   3.4751  3713.92  165.398  3807.34  183.971  3320.02  377.741  157.872   3.8179  146.900   8.4605 10.97159 9.282046 
1 1 1   12   14   16 o   93.326   3.2980  1330.20   93.944  1446.37  162.498  1271.89  115.135   97.097   5.5058   91.239   4.1344 5.858200 6.885244 
1 1 1   12   14   17 o  137.176   4.0899  2875.02  171.240  2875.02  171.240   0.0000   0.0000  137.176   4.0899  ?   ?  0.000000 4.089885 
1 1 1   12   14   18 o  308.385   6.4238 14555.15  604.646 14555.15  604.646   0.0000   0.0000  308.385   6.4238  ?   ?  0.000000 6.423790 
1 1 1   12   14   19 o   98.625   6.6250  1495.65  198.271  1466.43  492.039  1501.31  216.639   95.592   17.509   98.741   7.2387 -3.149040 18.94663 
1 1 1   12   14   20 o  364.074   6.2414 20284.16  693.568 21132.47  1128.76 19769.62  879.100  370.821   9.9728  359.106   8.0204 11.71454 12.79786 
1 1 1   12   14   21 o  199.125   4.7203  6060.74  286.892   0.0000   0.0000  6060.74  286.892  ?   ?   199.125   4.7203 0.000000 4.720348 
1 1 1   12   14   22 o  157.132   13.019  3838.55  618.784   0.0000   0.0000  3838.55  618.784  ?   ?   157.132   13.019 0.000000 13.01932 
1 1 1   12   14   23 o  107.025   4.4572  1750.55  145.601  1871.05  405.529  1732.71  156.003  109.457   12.355  106.466   4.8007 2.991074 13.25449 
1 1 1   12   14   24 o  311.165   5.8982 14813.45  560.184 15962.97  763.597 13473.82  824.323  322.719   7.7522  296.247   9.1165 26.47165 11.96686 
1 1 1   12   14   25 o   93.591   4.6760  1338.90  133.576  1338.90  133.576   0.0000   0.0000   93.591   4.6760  ?   ?  0.000000 4.676032 
1 1 1   12   14   26 o  195.044   4.8217  5815.74  287.044  5815.74  287.044   0.0000   0.0000  195.044   4.8217  ?   ?  0.000000 4.821668 
1 1 1   12   14   27 o   93.040   3.9519  1322.64  112.226  1356.61  203.534  1307.80  134.524   93.830   7.1609   92.368   4.7880 1.462326 8.614184 
1 1 1   12   14   28 o  424.339   6.6464 27574.59  860.826 28613.37  1057.25 25531.50  1482.72  431.920   8.0197  406.762   11.943 25.15833 14.38556 
1 1 1   12   14   29 o  130.747   3.9709  2612.18  158.468  2688.87  169.831  2095.92  440.631  132.643   4.1948  115.781   12.676 16.86189 13.35185 
1 1 1   12   14   30 o  424.633   14.833 28022.70  1922.53 28806.99  2376.93 26538.93  3269.37  428.607   18.169  404.502   26.629 24.10480 32.23740 
1 1 1   12   14   31 o  127.494   3.0244  2482.62  117.691  2572.93  224.641  2448.46  138.172  129.662   5.6762  126.594   3.5759 3.068672 6.708710 
1 1 1   12   14   32 o  244.497   3.9606  9135.87  295.563  9840.13  381.496  8078.45  467.462  253.647   4.9277  229.613   6.6701 24.03381 8.292915 
1 1 1   12   14   33 o  279.998   5.3618 11997.27  458.233 12572.06  696.361 11558.30  608.556  286.155   7.9729  274.515   7.2630 11.63916 10.78511 
1 1 1   12   14   34 o   69.043   4.3351  731.713   90.892  506.621  195.778  793.560  102.622   56.204   11.789   71.878   4.7036 -15.67339 12.69248 
1 1 1   12   14   35 o  308.830   5.3606 14599.81  505.299 15689.38  758.419 13730.10  677.594  319.611   7.7745  299.073   7.4229 20.53732 10.74905 
1 1 1   12   14   36 o  169.217   7.5711  4398.20  391.037   0.0000   0.0000  4398.20  391.037  ?   ?   169.217   7.5711 0.000000 7.571079 
1 1 1   12   14   37 o  251.966   9.7721  9800.56  751.530 10816.81  1396.28  9386.07  891.714  260.843   17.641  245.911   11.880 14.93178 21.26888 
1 1 1   12   14   38 o   92.049   3.5717  1295.21  100.350  1153.72  174.874  1364.68  122.532   86.444   6.6797   94.452   4.2503 -8.008728 7.917293 
1 1 1   12   14   39 o  237.958   4.6847  8668.18  340.254  9290.58  494.692  8109.38  468.738  245.983   6.5889  229.795   6.6830 16.18849 9.384909 
1 1 1   12   14   40 o   68.825   3.2158  724.049   67.554  768.879  114.805  700.306   83.549   70.623   5.3661   67.533   4.0723 3.089790 6.736416 
1 1 1   12   14   41 o  107.025   4.8242  1754.93  157.590  1741.86  202.393  1775.05  251.149  106.302   6.2656  107.038   7.7395 -0.7358322 9.957788 
1 1 1   12   14   42 o   50.582   4.0114  394.072   61.423  305.471  112.603  431.603   73.286   43.677   8.7515   52.880   4.5860 -9.202419 9.880260 
1 1 1   12   14   43 o   84.319   2.9423  1086.97   75.723  1076.79  112.319  1095.46  102.527   83.715   4.4113   84.585   3.9712 -0.8706589 5.935534 
1 1 1   12   14   44 o  137.258   3.8234  2884.78  160.178  2912.03  259.015  2867.91  203.827  137.537   6.1701  136.712   4.8847 0.8250732 7.869565 
1 1 1   12   14   45 o   27.776   7.7226  123.024   67.840   0.0000   0.0000  123.024   67.840  ?   ?    27.776   7.7226 0.000000 7.722587 
1 1 1   12   14   46 o  177.851   5.5527  4868.02  301.427   0.0000   0.0000  4868.02  301.427  ?   ?   177.851   5.5527 0.000000 5.552742 
1 1 1   12   14   47 o   77.991   5.0176  938.979  118.809   0.0000   0.0000  938.979  118.809  ?   ?    77.991   5.0176 0.000000 5.017606 
1 1 1   12   15    2 o   89.987   8.0930  1250.94  219.905  1902.14  317.297  649.053  305.049  110.924   9.4623   63.473   15.806 47.45082 18.42185 
1 1 1   12   15    3 o  174.492   4.0332  4651.51  214.802  4975.60  291.974  4269.16  317.135  180.398   5.3027  167.045   6.2201 13.35381 8.173580 
1 1 1   12   15    4 o  137.455   8.7025  2909.11  363.224  2708.22  524.759  3093.87  503.268  131.827   13.220  141.268   11.779 -9.441177 17.70640 
1 1 1   12   15    5 o  404.670   10.176 25160.85  1256.91 25279.92  1383.27 24597.02  3010.15  405.344   11.181  392.638   25.252 12.70609 27.61607 
1 1 1   12   15    6 o  255.443   7.6705  9996.65  598.046  9394.98  657.175 12896.05  1442.63  247.500   8.6994  287.678   16.499 -40.17801 18.65173 
1 1 1   12   15    7 o  209.759   10.169  6760.72  651.054   0.0000   0.0000  6760.72  651.054  ?   ?   209.759   10.169 0.000000 10.16904 
1 1 1   12   15    8 o  152.544   5.0438  3557.23  234.838   0.0000   0.0000  3557.23  234.838  ?   ?   152.544   5.0438 0.000000 5.043801 
1 1 1   12   15    9 o   72.031   7.9527  804.751  171.928   0.0000   0.0000  804.751  171.928  ?   ?    72.031   7.9527 0.000000 7.952658 
1 1 1   12   15   10 o  179.295   7.6642  4925.51  419.424  5062.17  764.525  4866.67  501.655  180.413   13.993  177.820   9.2750 2.592621 16.78802 
1 1 1   12   15   11 o  126.607   4.2778  2449.31  165.309  2510.96  199.114  2312.55  296.558  128.157   5.0903  122.576   7.9699 5.580582 9.456756 
1 1 1   12   15   12 o  274.013   6.7052 11494.05  560.792 11577.57  669.473 11297.59  1026.74  274.830   7.9809  270.646   12.429 4.184753 14.77088 
1 1 1   12   15   13 o  110.819   3.4443  1875.74  116.502  1857.02  186.289  1887.77  149.301  110.052   5.5640  111.145   4.4010 -1.092926 7.094155 
1 1 1   12   15   14 o  267.330   5.1967 10927.01  424.026 10921.45  467.555 10952.79  1006.36  267.207   5.7328  266.476   12.373 0.7311707 13.63669 
1 1 1   12   15   15 o  130.149   4.6674  2589.01  185.410  2614.02  202.863  2462.14  456.904  130.757   5.0830  125.818   12.045 4.939049 13.07352 
1 1 1   12   15   16 o   68.751   8.5330  736.025  175.210  690.944  342.124  752.052  203.991   65.414   16.985   69.268   9.9329 -3.853836 19.67629 
1 1 1   12   15   17 o   35.215   7.3041  196.996   75.933  188.792   98.893  208.780  118.524   34.476   9.2192   36.367   10.242 -1.890633 13.78005 
1 1 1   12   15   18 o   87.409   3.2981  1166.92   87.990  1265.22  147.420  1112.51  109.666   90.803   5.3427   85.326   4.2109 5.476242 6.802627 
1 1 1   12   15   19 o   87.728   7.0006  1186.10  185.891  1154.23  491.316  1191.42  200.820   84.206   19.500   87.855   7.5627 -3.649017 20.91520 
1 1 1   12   15   20 o  140.682   4.7424  3025.30  203.634   0.0000   0.0000  3025.30  203.634  ?   ?   140.682   4.7424 0.000000 4.742364 
1 1 1   12   15   21 o  178.706   10.543  4929.76  572.508  5178.52  918.249  4771.57  732.256  181.644   16.751  175.092   13.814 6.552551 21.71239 
1 1 1   12   15   22 f  215.818   5.3428  7123.14  351.948  8820.24  755.374  6652.57  397.760  239.471   10.335  208.488   6.2506 30.98361 12.07781 
1 1 1   12   15   23 o  181.860   3.4371  5051.74  190.786  5408.87  232.581  4317.06  333.583  188.146   4.0501  167.927   6.5083 20.21979 7.665569 
1 1 1   12   15   24 o   45.370   4.2613  317.338   58.319  339.518   80.632  293.008   84.451   46.756   5.7725   43.255   6.6062 3.501392 8.772902 
1 1 1   12   15   25 o   57.957   2.9995  514.351   52.878  470.058   88.660  538.805   65.877   55.183   5.3302   59.275   3.6591 -4.092220 6.465304 
1 1 1   12   15   26 o  147.197   5.3211  3314.02  239.064  3753.80  659.279  3247.44  256.523  155.015   14.088  145.682   5.7690 9.333023 15.22334 
1 1 1   12   15   27 o  266.928   5.9626 10905.13  485.786 11343.84  568.690  9720.85  934.366  272.120   6.8470  250.867   12.203 21.25233 13.99238 
1 1 1   12   15   28 o  129.099   4.6808  2548.20  184.442  2696.72  205.359  1928.51  419.474  132.787   5.0669  110.990   12.606 21.79763 13.58624 
1 1 1   12   15   29 o  186.072   9.3824  5337.58  531.144  5336.58  722.667  5338.75  783.292  185.240   12.861  184.967   13.978 0.2731171 18.99434 
1 1 1   12   15   30 o  314.162   5.0544 15097.33  484.664 15677.17  536.177 12507.26  1133.21  320.072   5.4884  284.082   13.069 35.98907 14.17482 
1 1 1   12   15   31 o  181.247   3.9247  5020.69  217.117  5146.60  244.566  4552.33  471.685  183.474   4.3672  171.817   9.0259 11.65668 10.02698 
1 1 1   12   15   32 o   50.205   4.3448  388.266   65.922  587.427  178.253  356.711   70.953   60.982   9.9175   48.040   4.9078 12.94213 11.06539 
1 1 1   12   15   33 o  149.725   3.4661  3425.50  158.400  3999.99  926.886  3408.22  160.765  157.647   19.692  149.344   3.5268 8.303574 20.00583 
1 1 1   12   15   34 o  195.544   4.2540  5847.21  253.898  6108.49  390.266  5655.46  334.323  199.611   6.4056  192.157   5.7002 7.453568 8.574636 
1 1 1   12   15   35 o   46.168   6.2352  332.635   85.615  478.366  145.389  255.274  105.929   55.036   8.9634   39.937   8.9157 15.09899 12.64250 
1 1 1   12   15   36 o  250.182   8.3906  9637.38  640.721 10477.00  1394.03  9412.51  721.437  256.291   17.934  246.917   9.5726 9.373520 20.32857 
1 1 1   12   15   37 o  122.909   3.8788  2310.17  145.513  2189.47  174.201  2588.80  264.677  119.592   4.7723  129.676   6.7101 -10.08340 8.234146 
1 1 1   12   15   38 o  166.327   3.9974  4231.90  202.934  4255.37  308.675  4214.04  269.319  166.531   6.0728  165.825   5.3211 0.7061615 8.074215 
1 1 1   12   15   39 o   36.472   9.8002  213.171  111.430   75.520  161.068  339.532  154.322   29.799   11.842   45.817   11.143 -16.01804 16.26040 
1 1 1   12   15   40 o   95.652   4.3698  1401.00  127.575  1375.52  140.418  1521.45  305.348   94.614   4.8790   98.416   10.319 -3.801392 11.41398 
1 1 1   12   15   41 o  118.737   4.3781  2159.67  158.666  2060.94  749.381  2164.30  162.347  108.936   23.246  118.854   4.4752 -9.918388 23.67301 
1 1 1   12   15   42 o   45.837   5.0434  326.237   69.392  111.681  418.056  332.316   70.369   44.338   18.517   46.264   5.0661 -1.926327 19.19713 
1 1 1   12   15   43 o   15.789   6.7305  -0.4099   57.098 -46.8072  142.849   8.4125   62.291   22.948   10.193   17.079   7.1413 5.869564 12.44591 
1 1 1   12   15   44 o  130.674   5.2511  2624.63  209.440   0.0000   0.0000  2624.63  209.440  ?   ?   130.674   5.2511 0.000000 5.251128 
1 1 1   12   15   45 o   36.746   6.8871  215.383   74.406   0.0000   0.0000  215.383   74.406  ?   ?    36.746   6.8871 0.000000 6.887077 
1 1 1   12   16    0 o  458.119   20.028 32660.29  2788.28 32660.29  2788.28 32660.29  2788.28  458.119   20.028  458.119   20.028 0.000000 0.000000 
1 1 1   12   16    1 o  285.604   8.1426 12505.55  709.813 16121.41  1714.48 11757.56  779.781  321.163   17.556  276.751   9.2314 44.41235 19.83552 
1 1 1   12   16    2 o  327.125   14.500 16568.73  1447.76 18698.98  2048.90 14444.52  2046.00  345.001   19.538  301.723   22.376 43.27768 29.70538 
1 1 1   12   16    3 o  187.795   6.1224  5396.15  350.932   0.0000   0.0000  5396.15  350.932  ?   ?   187.795   6.1224 0.000000 6.122385 
1 1 1   12   16    4 o  164.325   12.963  4193.96  644.885   0.0000   0.0000  4193.96  644.885  ?   ?   164.325   12.963 0.000000 12.96296 
1 1 1   12   16    5 o  136.363   4.4985  2841.78  187.232  2675.32  527.815  2865.74  200.255  130.928   13.396  136.923   4.7917 -5.995026 14.22765 
1 1 1   12   16    6 o  215.164   10.617  7120.96  697.240   0.0000   0.0000  7120.96  697.240  ?   ?   215.164   10.617 0.000000 10.61682 
1 1 1   12   16    7 o  259.100   17.446 10508.02  1371.65   0.0000   0.0000 10508.02  1371.65  ?   ?   259.100   17.446 0.000000 17.44592 
1 1 1   12   16    8 o  455.280   20.006 32525.75  2780.04 31013.76  3936.78 34029.75  3926.38  436.587   29.720  458.827   28.173 -22.24060 40.95095 
1 1 1   12   16    9 o   95.525   3.9267  1394.12  114.488  1405.93  133.742  1361.74  221.481   95.911   4.5686   93.940   7.7949 1.970627 9.035059 
1 1 1   12   16   10 o  163.794   7.3120  4109.91  365.554  4181.27  661.138  4078.49  438.716  163.970   13.325  162.785   8.8632 1.185608 16.00392 
1 1 1   12   16   11 o  115.157   4.2439  2026.39  149.166  1994.93  175.860  2107.06  281.625  114.229   5.0440  116.973   7.9349 -2.744301 9.402407 
1 1 1   12   16   12 o  245.742   5.7932  9238.24  434.522  9276.86  506.616  9130.74  845.113  246.150   6.7431  243.475   11.372 2.675095 13.22106 
1 1 1   12   16   13 o  125.950   6.8727  2436.33  263.206  2405.76  508.372  2447.52  307.650  124.004   13.658  126.094   8.0355 -2.089851 15.84653 
1 1 1   12   16   14 o  145.208   3.6339  3220.95  161.060  3356.06  243.565  3115.97  214.702  148.138   5.3868  142.765   4.9272 5.372726 7.300313 
1 1 1   12   16   15 o   40.293   6.0602  253.933   72.223  247.553   82.855  274.117  147.370   39.606   7.1154   41.522   11.318 -1.916084 13.36893 
1 1 1   12   16   16 f  152.360   9.0487  3576.07  418.910  3767.47  655.978  3444.26  544.367  155.419   13.978  148.968   12.076 6.451248 18.47207 
1 1 1   12   16   17 o   47.312   3.7204  344.072   53.292  447.054  111.167  313.344   60.724   53.584   6.9616   45.058   4.4746 8.525780 8.275575 
1 1 1   12   16   18 o   79.494   4.4002  968.717  106.349  1065.46  133.476  800.539  175.988   83.304   5.2768   71.793   8.1772 11.51134 9.731946 
1 1 1   12   16   19 o  105.097   4.4468  1688.13  142.647  1829.06  703.154  1682.08  145.676  105.658   22.494  104.905   4.5496 0.7529373 22.94912 
1 1 1   12   16   20 o  264.915   5.8356 10737.54  471.856 11358.91  614.418  9844.19  736.719  272.263   7.3936  253.119   9.5359 19.14423 12.06643 
1 1 1   12   16   21 o  106.646   2.9958  1736.89   97.515  2038.97  145.905  1493.02  131.095  115.513   4.1383   98.839   4.3455 16.67400 6.000761 
1 1 1   12   16   22 o  209.095   4.4601  6682.56  284.648  7077.92  384.095  6200.88  423.958  215.073   5.8511  201.203   6.9035 13.86960 9.049517 
1 1 1   12   16   23 o   52.318   3.4812  419.963   55.272  331.012   98.092  461.343   66.905   45.927   7.2373   54.799   4.0283 -8.872528 8.282822 
1 1 1   12   16   24 o  254.730   6.1960  9933.30  481.740  9725.25  614.324 10265.54  776.329  251.790   7.9936  258.347   9.8452 -6.556824 12.68172 
1 1 1   12   16   25 o  111.644   4.5149  1905.44  153.851  1965.82  206.934  1830.82  230.056  113.167   6.0125  109.092   6.9452 4.074821 9.186212 
1 1 1   12   16   26 o  157.675   3.6386  3798.46  175.114  3885.03  268.967  3734.76  230.708  159.344   5.5303  156.280   4.8366 3.064026 7.346901 
1 1 1   12   16   27 o  365.827   8.3079 20548.89  927.649 20375.57  1080.46 21034.94  1809.35  363.870   9.7285  367.038   16.151 -3.167908 18.85447 
1 1 1   12   16   28 o   92.079   5.2647  1301.43  147.349  1424.38  201.848  1161.15  215.595   96.151   6.9242   86.569   8.2596 9.582458 10.77803 
1 1 1   12   16   29 o  175.954   3.4882  4730.34  187.332  4908.31  245.844  4483.92  289.279  179.164   4.4956  171.158   5.5374 8.006363 7.132541 
1 1 1   12   16   30 o  122.099   4.0793  2278.97  152.025  2259.34  163.171  2408.08  418.516  121.556   4.3980  124.362   11.144 -2.805740 11.98040 
1 1 1   12   16   31 o  148.380   3.7525  3364.99  169.947  4077.64  308.090  3053.30  203.749  163.130   6.1877  141.280   4.7250 21.85039 7.785394 
1 1 1   12   16   32 o  143.556   6.7243  3160.92  294.638  3793.77  996.355  3100.28  308.432  152.273   22.082  141.951   7.1416 10.32222 23.20775 
1 1 1   12   16   33 o  132.109   3.3046  2666.92  133.251  3144.69  227.737  2418.21  164.314  143.318   5.2061  125.743   4.2813 17.57537 6.740408 
1 1 1   12   16   34 o  102.421   4.0357  1604.19  126.163  1928.42  646.934  1591.37  128.632  108.100   20.354  102.006   4.1315 6.094147 20.76913 
1 1 1   12   16   35 o  186.550   4.3397  5324.46  247.100  5313.39  276.000  5369.17  554.678  186.297   4.8539  186.122   9.7984 0.1742706 10.93478 
1 1 1   12   16   36 o   79.814   3.0785  973.504   74.995  1056.73  128.510  930.522   92.352   82.901   5.1036   78.000   3.8791 4.900513 6.410464 
1 1 1   12   16   37 o  174.472   4.8188  4662.49  256.613  5187.35  701.722  4581.47  275.710  181.652   12.737  172.894   5.2246 8.758698 13.76678 
1 1 1   12   16   38 o  115.655   3.8511  2046.51  135.946  2104.04  157.424  1877.78  269.606  117.223   4.3999  110.023   8.0850 7.200294 9.204700 
1 1 1   12   16   39 o  105.884   4.3357  1717.04  140.122  1693.15  152.802  1843.30  351.306  105.106   4.7630  108.223   10.779 -3.117065 11.78414 
1 1 1   12   16   40 o  139.379   3.6818  2973.05  156.632  2642.03  252.201  3180.90  199.846  131.036   6.3058  144.063   4.5449 -13.02701 7.772998 
1 1 1   12   16   41 o  132.675   3.8987  2695.70  157.879  2630.47  235.569  2748.89  212.723  130.769   5.9020  133.796   5.2090 -3.027695 7.871902 
1 1 1   12   16   42 o   28.947   7.1166  134.582   62.435   90.794  151.402  143.554   68.533   29.758   11.585   29.885   7.5196 -0.1266441 13.81161 
1 1 1   12   16   43 o   68.114   4.9929  716.574  103.080   0.0000   0.0000  716.574  103.080  ?   ?    68.114   4.9929 0.000000 4.992916 
1 1 1   12   16   44 o   45.007   5.3844  316.091   72.498   0.0000   0.0000  316.091   72.498  ?   ?    45.007   5.3844 0.000000 5.384375 
1 1 1   12   17    0 o  251.170   17.160  9862.95  1301.44  9862.95  1301.44  9862.95  1301.44  251.170   17.160  251.170   17.160 0.000000 0.000000 
1 1 1   12   17    1 o  235.686   4.9182  8492.11  353.801  8611.90  479.531  8349.00  524.141  237.174   6.6242  233.439   7.3563 3.734528 9.899218 
1 1 1   12   17    2 o  266.738   10.183 10939.79  829.031  9545.62  1433.85 11639.90  1016.09  246.126   19.240  274.714   12.118 -28.58849 22.73788 
1 1 1   12   17    3 o  478.320   13.253 35360.79  1934.81   0.0000   0.0000 35360.79  1934.81  ?   ?   478.320   13.253 0.000000 13.25268 
1 1 1   12   17    4 o   58.099   13.068  541.800  226.123   0.0000   0.0000  541.800  226.123  ?   ?    58.099   13.068 0.000000 13.06813 
1 1 1   12   17    5 o  146.370   5.2858  3276.23  236.144   0.0000   0.0000  3276.23  236.144  ?   ?   146.370   5.2858 0.000000 5.285755 
1 1 1   12   17    6 o   96.905   11.209  1464.96  325.414   0.0000   0.0000  1464.96  325.414  ?   ?    96.905   11.209 0.000000 11.20895 
1 1 1   12   17    7 o  157.341   4.8319  3784.53  232.048  3694.90  274.404  4009.52  434.750  155.410   5.7849  161.387   8.8597 -5.977753 10.58107 
1 1 1   12   17    8 o  215.715   5.7587  7118.73  379.161  7010.52  1018.15  7136.15  408.547  211.826   15.863  215.938   6.1987 -4.112045 17.03093 
1 1 1   12   17    9 o  192.400   4.3604  5657.23  256.062  6110.05  364.117  5214.17  360.169  199.831   5.9698  184.565   6.3935 15.26579 8.747349 
1 1 1   12   17   10 o   62.421   3.4937  597.028   66.296  582.189   97.381  609.846   90.510   61.480   5.2394   62.985   4.7429 -1.504341 7.067287 
1 1 1   12   17   11 o  132.837   4.9348  2697.75  200.083  2657.84  217.568  2916.54  509.397  131.827   5.4072  136.945   12.319 -5.117752 13.45323 
1 1 1   12   17   12 o   23.427   7.6306   80.983   62.606   58.039   73.173  143.665  120.944   22.106   8.1802   31.587   10.617 -9.481197 13.40298 
1 1 1   12   17   13 o   48.162   10.933  371.201  157.049  417.044  322.158  356.911  179.869   52.710   17.316   47.233   12.341 5.477100 21.26360 
1 1 1   12   17   14 o  189.699   5.4165  5503.84  313.622  5500.63  341.965  5520.82  786.769  189.605   5.9090  188.392   13.778 1.213470 14.99182 
1 1 1   12   17   15 o  216.045   5.8955  7141.71  388.763  7119.59  423.398  7260.52  981.407  215.657   6.4323  215.818   14.992 -0.1609192 16.31326 
1 1 1   12   17   16 f   60.237   4.6235  557.893   84.357  590.678  101.213  483.303  152.662   61.910   5.4105   55.343   9.3721 6.567284 10.82177 
1 1 1   12   17   17 o  185.488   4.8267  5260.03  273.267  5396.46  322.563  4913.17  514.318  187.818   5.6268  178.572   9.4701 9.246185 11.01561 
1 1 1   12   17   18 o  203.482   5.5077  6333.64  342.070  7579.72  1223.18  6227.92  356.285  219.283   18.447  201.752   5.7858 17.53098 19.33296 
1 1 1   12   17   19 o  256.912   5.9806 10101.15  468.972 10895.79  572.151  8474.22  818.672  266.684   7.0291  234.445   11.441 32.23898 13.42746 
1 1 1   12   17   20 o   76.393   3.1246  891.325   72.857  849.467  111.696  922.323   96.120   74.371   4.9489   77.583   4.0734 -3.211983 6.409664 
1 1 1   12   17   21 o  246.049   9.2154  9303.03  692.077 10967.21  1257.15  8579.35  829.008  265.023   15.610  235.831   11.517 29.19273 19.39893 
1 1 1   12   17   22 o  295.170   6.9798 13350.35  628.832 12909.88  802.664 14050.29  1011.83  289.856   9.0727  301.909   10.980 -12.05350 14.24361 
1 1 1   12   17   23 o  309.592   5.2291 14661.67  494.122 14919.53  568.636 13866.67  998.463  312.193   5.9675  299.910   10.907 12.28293 12.43321 
1 1 1   12   17   24 o  434.911   7.2286 28999.17  959.555 28946.79  1477.16 29037.40  1262.10  433.139   11.173  434.466   9.5175 -1.327606 14.67742 
1 1 1   12   17   25 o   57.348   4.0316  505.128   70.121  666.294   97.480  332.305  100.943   65.823   4.8868   45.969   7.4494 19.85461 8.909226 
1 1 1   12   17   26 o  426.955   13.107 28271.59  1708.07 28243.88  2440.69 28298.20  2391.22  423.111   18.899  423.818   18.485 -0.7067261 26.43627 
1 1 1   12   17   27 o  165.626   3.3029  4190.94  166.973  4466.06  195.997  3462.82  318.848  170.949   3.7563  150.277   6.9514 20.67276 7.901427 
1 1 1   12   17   28 o  391.444   6.0744 23472.96  725.755 24148.33  834.813 21382.83  1468.62  396.820   6.8925  371.128   12.965 25.69223 14.68314 
1 1 1   12   17   29 o  105.972   4.1915  1717.09  135.577  1793.89  216.568  1667.59  173.859  107.966   6.6036  104.221   5.4848 3.745598 8.584315 
1 1 1   12   17   30 o   57.919   3.8151  515.004   67.066  365.824  203.374  533.206   71.040   47.798   13.400   58.923   3.9732 -11.12481 13.97673 
1 1 1   12   17   31 o  266.451   10.196 10969.38  829.209   0.0000   0.0000 10969.38  829.209  ?   ?   266.451   10.196 0.000000 10.19600 
1 1 1   12   17   32 o  283.354   9.1715 12383.71  793.205 12523.05  1624.64 12340.10  908.896  279.465   19.162  282.376   10.546 -2.911163 21.87232 
1 1 1   12   17   33 o  170.926   3.3795  4465.50  176.308  4735.27  323.720  4351.74  210.223  175.717   6.0359  168.675   4.0833 7.042252 7.287320 
1 1 1   12   17   34 o  208.512   3.7471  6648.62  238.479  6652.39  309.712  6643.13  373.766  208.426   4.8684  208.117   5.8840 0.3089447 7.636982 
1 1 1   12   17   35 o   92.636   3.9644  1312.83  112.090  1361.72  195.694  1288.95  136.745   93.868   6.8782   91.600   4.9089 2.268570 8.450254 
1 1 1   12   17   36 o  123.400   4.6101  2332.25  173.638  2394.53  209.231  2194.47  311.219  124.943   5.4865  118.864   8.6373 6.079285 10.23252 
1 1 1   12   17   37 o   28.233   8.6014  123.855   80.807  177.446  101.092   29.019  134.480   33.391   9.4781   25.508   10.565 7.883144 14.19309 
1 1 1   12   17   38 o  110.663   5.7702  1886.60  194.225  1836.68  225.229  2031.39  383.602  108.986   6.8048  113.417   11.229 -4.431206 13.12966 
1 1 1   12   17   39 o   32.518   5.8245  167.430   55.687  180.461  104.244  162.226   65.873   33.637   9.6505   31.825   6.9741 1.812767 11.90677 
1 1 1   12   17   40 o  161.559   3.9866  3998.75  196.585  4371.76  285.363  3661.84  271.204  168.623   5.5445  154.281   5.7593 14.34250 7.994409 
1 1 1   12   17   41 o   43.682   6.0619  299.469   78.643   0.0000   0.0000  299.469   78.643  ?   ?    43.682   6.0619 0.000000 6.061872 
1 1 1   12   17   42 o  143.690   5.4339  3177.46  238.317   0.0000   0.0000  3177.46  238.317  ?   ?   143.690   5.4339 0.000000 5.433907 
1 1 1   12   17   43 o   55.080   4.5048  468.929   75.070   0.0000   0.0000  468.929   75.070  ?   ?    55.080   4.5048 0.000000 4.504754 
1 1 1   12   18    0 o  394.517   25.003 24578.23  2983.07 24578.23  2983.07 24578.23  2983.07  394.517   25.003  394.517   25.003 0.000000 0.000000 
1 1 1   12   18    1 o  402.770   7.9094 24872.75  972.335 24605.81  1445.23 25093.49  1314.26  399.448   11.854  403.787   10.664 -4.338745 15.94460 
1 1 1   12   18    2 o  149.612   8.6267  3446.24  392.269  4568.35  565.217  2403.54  544.848  171.934   10.826  123.670   14.724 48.26359 18.27519 
1 1 1   12   18    3 o  250.448   17.032  9821.88  1294.22   0.0000   0.0000  9821.88  1294.22  ?   ?   250.448   17.032 0.000000 17.03180 
1 1 1   12   18    4 o  455.307   11.568 31953.78  1607.60   0.0000   0.0000 31953.78  1607.60  ?   ?   455.307   11.568 0.000000 11.56799 
1 1 1   12   18    5 o  494.813   31.813 40321.05  4779.21   0.0000   0.0000 40321.05  4779.21  ?   ?   494.813   31.813 0.000000 31.81305 
1 1 1   12   18    6 o  196.740   14.386  6029.19  857.911   0.0000   0.0000  6029.19  857.911  ?   ?   196.740   14.386 0.000000 14.38647 
1 1 1   12   18    7 o  274.167   8.0848 11527.76  676.551   0.0000   0.0000 11527.76  676.551  ?   ?   274.167   8.0848 0.000000 8.084787 
1 1 1   12   18    8 o  180.311   13.615  5058.34  743.765   0.0000   0.0000  5058.34  743.765  ?   ?   180.311   13.615 0.000000 13.61474 
1 1 1   12   18    9 o  236.193   6.7937  8543.49  489.768  8395.81  537.532  9265.42  1188.49  234.051   7.5245  243.531   16.080 -9.479782 17.75310 
1 1 1   12   18   10 o  211.160   8.4246  6841.44  542.971  6654.65  960.647  6929.13  658.191  206.438   15.356  212.251   10.160 -5.813080 18.41268 
1 1 1   12   18   11 f  121.204   4.7957  2245.88  177.413  2224.22  191.992  2372.45  464.142  120.599   5.2158  123.339   12.502 -2.739281 13.54633 
1 1 1   12   18   12 o  164.116   5.7913  4121.03  290.096  4121.03  290.096   0.0000   0.0000  164.116   5.7913  ?   ?  0.000000 5.791286 
1 1 1   12   18   13 o  222.893   6.9842  7610.62  475.147  7610.62  475.147   0.0000   0.0000  222.893   6.9842  ?   ?  0.000000 6.984159 
1 1 1   12   18   14 f  290.329   6.7256 12909.41  595.992 12936.64  695.712 12834.31  1155.30  290.450   7.8477  288.053   13.140 2.396729 15.30538 
1 1 1   12   18   15 o  112.490   6.9397  1945.82  237.109  1687.42  427.905  2060.32  284.837  103.480   13.899  115.609   8.1237 -12.12826 16.09926 
1 1 1   12   18   16 o  214.433   9.1704  7064.78  600.204  7454.27  1282.22  6955.49  679.211  216.887   19.580  212.551   10.469 4.336349 22.20361 
1 1 1   12   18   17 o  165.949   5.1308  4211.85  259.882  4749.35  1075.51  4178.52  267.819  172.244   20.885  165.279   5.3089 6.965088 21.54877 
1 1 1   12   18   18 o  393.685   8.9191 23809.75  1071.73 24270.33  1284.57 22754.90  1944.04  396.935   10.603  381.736   16.685 15.19855 19.76881 
1 1 1   12   18   19 o  245.051   6.4528  9196.79  482.640  8634.67  573.758 10557.12  892.557  237.232   7.9239  261.628   11.177 -24.39612 13.70106 
1 1 1   12   18   20 o  316.245   14.155 15529.18  1366.31 17854.06  1941.88 13249.83  1922.77  336.308   18.995  287.883   22.050 48.42474 29.10374 
1 1 1   12   18   21 o   82.939   3.9327  1051.25   99.555  1037.94  115.816  1088.91  194.833   82.260   4.6316   83.901   7.6938 -1.640808 8.980350 
1 1 1   12   18   22 o  329.861   6.5139 16670.24  655.827 17646.29  817.646 14909.57  1098.17  339.070   7.9006  310.652   11.582 28.41757 14.01992 
1 1 1   12   18   23 o  267.239   4.7583 10922.44  388.121 10938.20  465.873 10886.69  701.695  267.306   5.7101  266.147   8.6380 1.159027 10.35468 
1 1 1   12   18   24 o  374.367   7.2368 21498.79  826.916 21672.37  1082.40 21255.46  1281.53  375.198   9.4517  370.870   11.321 4.327515 14.74796 
1 1 1   12   18   25 o  155.686   6.0908  3713.03  289.431  3791.67  551.238  3683.10  340.080  156.129   11.651  154.942   7.1911 1.187027 13.69182 
1 1 1   12   18   26 o   89.704   4.0354  1230.17  110.488  1194.74  139.167  1290.56  181.716   88.202   5.1924   91.520   6.5485 -3.318260 8.357210 
1 1 1   12   18   27 o  221.214   3.5936  7478.88  242.636  7800.27  333.593  7117.88  353.555  225.786   4.8406  215.619   5.3722 10.16699 7.231358 
1 1 1   12   18   28 o   62.755   4.6743  605.865   88.891  425.244  118.632  837.110  134.231   52.058   7.6984   73.664   6.0228 -21.60649 9.774405 
1 1 1   12   18   29 o   56.834   6.5960  502.147  112.295   0.0000   0.0000  502.147  112.295  ?   ?    56.834   6.5960 0.000000 6.596016 
1 1 1   12   18   30 o   43.173   4.6794  288.582   60.675   0.0000   0.0000  288.582   60.675  ?   ?    43.173   4.6794 0.000000 4.679443 
1 1 1   12   18   31 o  230.106   4.6383  8104.52  325.765  7888.21  491.774  8273.66  434.860  226.563   7.1115  232.238   6.1348 -5.674881 9.391950 
1 1 1   12   18   32 o  177.977   4.1786  4846.48  226.990  4871.60  251.688  4736.99  525.437  178.386   4.6226  174.658   9.8970 3.727600 10.92331 
1 1 1   12   18   33 o   39.821   5.6034  247.914   66.222  277.643  194.807  244.029   70.416   42.319   13.429   39.427   6.0441 2.891876 14.72679 
1 1 1   12   18   34 f   77.697   3.2269  922.919   76.526  992.125  110.844  859.891  105.782   80.361   4.5377   74.782   4.6576 5.578842 6.502553 
1 1 1   12   18   35 o  109.967   4.5415  1852.55  152.434  2056.01  899.502  1846.54  154.671  106.893   27.433  109.781   4.6160 -2.888489 27.81823 
1 1 1   12   18   36 o  134.715   6.9223  2803.64  283.669  2976.58  503.208  2723.07  343.440  137.134   12.148  132.339   8.5482 4.795151 14.85414 
1 1 1   12   18   37 o   81.001   3.0021  1003.30   74.221  1123.51  110.502  904.490  100.185   85.632   4.2278   76.710   4.2962 8.922340 6.027547 
1 1 1   12   18   38 f   86.361   2.5820  1140.03   68.060  1241.14  116.326  1087.41   83.924   89.987   4.2353   84.304   3.2616 5.683281 5.345574 
1 1 1   12   18   39 o  108.827   3.3278  1812.66  110.539  1831.15  575.432  1811.95  112.637  103.603   18.893  108.800   3.3918 -5.196747 19.19534 
1 1 1   12   18   40 o  100.340   3.3117  1541.24  101.423   0.0000   0.0000  1541.24  101.423  ?   ?   100.340   3.3117 0.000000 3.311680 
1 1 1   12   18   41 o  225.640   17.046  8486.41  1165.32   0.0000   0.0000  8486.41  1165.32  ?   ?   225.640   17.046 0.000000 17.04625 
1 1 1   12   19    0 o  230.694   16.223  8321.69  1129.36  8321.69  1129.36  8321.69  1129.36  230.694   16.223  230.694   16.223 0.000000 0.000000 
1 1 1   12   19    1 o  185.032   14.137  5335.70  792.341   0.0000   0.0000  5335.70  792.341  ?   ?   185.032   14.137 0.000000 14.13667 
1 1 1   12   19    2 o  503.482   12.378 39148.36  1902.17   0.0000   0.0000 39148.36  1902.17  ?   ?   503.482   12.378 0.000000 12.37796 
1 1 1   12   19    3 o  304.021   7.6433 14170.00  709.253 14545.88  779.633 12365.58  1708.19  307.902   8.2959  279.596   20.152 28.30603 21.79234 
1 1 1   12   19    4 o  148.603   5.0721  3376.87  230.054  4042.76  596.071  3260.32  249.375  161.379   12.191  145.984   5.5967 15.39529 13.41457 
1 1 1   12   19    5 o   65.144   3.4510  650.058   68.372  565.765  101.723  719.520   92.341   60.560   5.5655   68.467   4.4427 -7.907772 7.121301 
1 1 1   12   19    6 o  201.398   8.4082  6224.61  516.862  6543.03  904.323  6070.13  629.881  204.863   14.557  198.317   10.443 6.546005 17.91550 
1 1 1   12   19    7 o  236.036   16.298  8720.13  1166.99   0.0000   0.0000  8720.13  1166.99  ?   ?   236.036   16.298 0.000000 16.29831 
1 1 1   12   19    8 o  409.512   11.470 25861.70  1433.66   0.0000   0.0000 25861.70  1433.66  ?   ?   409.512   11.470 0.000000 11.46999 
1 1 1   12   19    9 o  244.735   16.689  9385.48  1239.18   0.0000   0.0000  9385.48  1239.18  ?   ?   244.735   16.689 0.000000 16.68855 
1 1 1   12   19   10 o  238.755   16.369  8927.06  1185.64   0.0000   0.0000  8927.06  1185.64  ?   ?   238.755   16.369 0.000000 16.36867 
1 1 1   12   19   11 o  182.854   13.692  5208.53  758.634   0.0000   0.0000  5208.53  758.634  ?   ?   182.854   13.692 0.000000 13.69226 
1 1 1   12   19   12 o  142.551   8.6117  3131.42  372.935  3630.96  569.586  2756.56  493.400  152.813   12.316  133.022   12.291 19.79118 17.40027 
1 1 1   12   19   13 o  178.372   4.9983  4865.74  272.125  5015.70  322.691  4496.52  506.331  181.030   5.8401  170.697   9.7588 10.33328 11.37282 
1 1 1   12   19   14 f   82.258   10.102  1056.82  248.307  1102.40  347.277  1009.14  355.176   83.178   14.188   79.271   15.233 3.906776 20.81682 
1 1 1   12   19   15 o  268.935   13.215 11204.65  1084.71 12122.45  1695.13 10568.24  1411.55  276.320   20.240  258.988   17.968 17.33234 27.06453 
1 1 1   12   19   16 o  239.679   12.460  8909.93  908.405  9933.27  1468.87  8276.13  1155.97  250.337   19.375  229.539   16.612 20.79733 25.52134 
1 1 1   12   19   17 o  137.415   4.9269  2888.07  206.646  2933.83  223.735  2622.35  539.099  138.477   5.2935  129.264   13.881 9.212814 14.85635 
1 1 1   12   19   18 o  239.785   6.3500  8807.34  464.742  8284.40  543.355 10232.54  897.008  232.362   7.6613  257.397   11.418 -25.03500 13.74982 
1 1 1   12   19   19 o  381.108   6.4471 22252.93  749.946 22382.97  862.091 21848.37  1520.57  381.984   7.3942  375.254   13.276 6.729980 15.19618 
1 1 1   12   19   20 o  188.231   4.1736  5416.31  239.783  5386.33  266.508  5543.75  549.376  187.671   4.6526  189.765   9.4850 -2.094467 10.56464 
1 1 1   12   19   21 o  233.415   4.4417  8331.11  316.443  8790.58  489.367  8000.92  414.845  239.465   6.6954  228.564   5.9465 10.90063 8.954836 
1 1 1   12   19   22 o  257.767   5.7171 10174.45  449.803 11095.89  590.573  8901.50  694.138  268.922   7.1950  240.399   9.4601 28.52214 11.88535 
1 1 1   12   19   23 o  356.102   6.7988 19448.48  738.964 19160.59  814.991 20779.14  1752.16  353.250   7.5588  364.166   15.764 -10.91638 17.48224 
1 1 1   12   19   24 o  168.387   4.0585  4335.14  208.587  4957.91  248.592  2853.67  383.416  180.036   4.5239  135.779   9.3079 44.25752 10.34900 
1 1 1   12   19   25 o  107.501   4.6766  1768.14  153.446  1756.70  171.605  1813.74  342.737  107.117   5.2487  107.825   10.549 -0.7079544 11.78288 
1 1 1   12   19   26 o   43.574   9.0838  303.387  116.899  247.026  373.757  309.498  123.073   47.363   18.268   43.970   9.4516 3.392315 20.56848 
1 1 1   12   19   27 o  213.377   15.041  7181.65  973.313   0.0000   0.0000  7181.65  973.313  ?   ?   213.377   15.041 0.000000 15.04098 
1 1 1   12   19   28 o  363.089   9.2316 20350.80  1023.07   0.0000   0.0000 20350.80  1023.07  ?   ?   363.089   9.2316 0.000000 9.231603 
1 1 1   12   19   29 o   74.343   5.7697  852.510  129.896  928.012  196.553  793.965  173.080   77.132   8.4894   71.351   8.0905 5.781448 11.72713 
1 1 1   12   19   30 o  210.916   4.0909  6806.31  263.360  7573.75  384.515  6128.19  361.448  222.230   5.6688  199.855   5.9254 22.37482 8.200344 
1 1 1   12   19   31 o   81.083   4.2489  1009.03  104.787  1190.26  381.279  994.220  108.984   85.591   15.149   80.462   4.4551 5.128990 15.79070 
1 1 1   12   19   32 o   98.747   3.4316  1491.19  103.429  1584.23  124.498  1283.93  185.815  101.743   4.0090   91.119   6.7288 10.62367 7.832555 
1 1 1   12   19   33 o  290.651   4.6870 12946.01  415.795 13345.14  531.472 12316.29  667.574  294.738   5.9078  282.483   7.7427 12.25488 9.739161 
1 1 1   12   19   34 o  160.676   4.0325  3953.14  197.763  4146.41  327.941  3842.69  247.915  164.109   6.5471  158.251   5.1326 5.857269 8.319117 
1 1 1   12   19   35 o  123.649   4.6444  2344.54  175.283  2386.16  192.099  2137.57  428.397  124.687   5.0476  115.818   12.307 8.869278 13.30211 
1 1 1   12   19   36 o  118.776   4.3754  2163.02  158.622  2271.38  174.305  1640.85  382.630  121.673   4.6935  101.040   12.687 20.63255 13.52711 
1 1 1   12   19   37 o  139.281   3.6843  2971.06  156.626  3024.29  275.561  2945.66  190.367  140.012   6.4482  138.563   4.5012 1.448624 7.863826 
1 1 1   12   19   38 f  100.727   3.3458  1553.26  102.864  1529.11  160.729  1570.01  133.869   99.565   5.3081  101.160   4.3356 -1.595100 6.853724 
1 1 1   12   19   39 o   53.802   5.1880  449.364   84.140   0.0000   0.0000  449.364   84.140  ?   ?    53.802   5.1880 0.000000 5.188028 
1 1 1   12   20    1 f  131.952   5.1532  2663.11  207.545  2663.11  207.545   0.0000   0.0000  131.952   5.1532  ?   ?  0.000000 5.153242 
1 1 1   12   20    2 o  140.826   12.845  3093.04  546.047  3093.04  546.047   0.0000   0.0000  140.826   12.845  ?   ?  0.000000 12.84505 
1 1 1   12   20    3 o  207.262   8.3455  6594.48  527.944  5931.64  889.564  6954.90  655.959  194.731   15.084  212.559   10.111 -17.82867 18.15941 
1 1 1   12   20    4 o  239.346   4.9767  8761.01  363.569  8633.88  538.343  8867.62  492.975  237.297   7.4328  240.591   6.7132 -3.294250 10.01564 
1 1 1   12   20    5 o  175.222   7.1799  4706.24  383.995  3770.56  651.972  5203.21  475.153  155.318   13.900  184.085   8.4566 -28.76764 16.27016 
1 1 1   12   20    6 o  139.898   4.6282  2992.31  197.622  2836.35  226.636  3487.09  403.683  136.155   5.4536  150.403   8.8324 -14.24812 10.38039 
1 1 1   12   20    7 o  146.234   7.3556  3286.97  327.263  2865.48  570.220  3493.99  399.632  135.192   14.023  150.565   8.7335 -15.37286 16.52015 
1 1 1   12   20    8 o   97.520   3.3414  1452.78   99.457  1412.80  144.837  1488.44  136.813   95.985   4.9607   98.669   4.5428 -2.683922 6.726536 
1 1 1   12   20    9 o  123.188   11.812  2365.05  438.693   0.0000   0.0000  2365.05  438.693  ?   ?   123.188   11.812 0.000000 11.81229 
1 1 1   12   20   10 o   59.547   12.960  569.968  228.860   0.0000   0.0000  569.968  228.860  ?   ?    59.547   12.960 0.000000 12.95992 
1 1 1   12   20   11 o  125.338   11.705  2447.44  442.596   0.0000   0.0000  2447.44  442.596  ?   ?   125.338   11.705 0.000000 11.70475 
1 1 1   12   20   12 o  183.041   13.715  5228.85  760.663   0.0000   0.0000  5228.85  760.663  ?   ?   183.041   13.715 0.000000 13.71495 
1 1 1   12   20   13 o   51.738   10.785  428.017  164.794   0.0000   0.0000  428.017  164.794  ?   ?    51.738   10.785 0.000000 10.78507 
1 1 1   12   20   14 o  164.206   9.2203  4160.93  460.248   0.0000   0.0000  4160.93  460.248  ?   ?   164.206   9.2203 0.000000 9.220343 
1 1 1   12   20   15 o  211.215   5.6530  6829.38  364.438  7444.25  455.432  5734.72  607.672  220.371   6.7710  192.574   10.377 27.79613 12.39040 
1 1 1   12   20   16 o  395.376   8.8905 24043.57  1072.88 23722.40  1249.45 24945.16  2093.42  392.150   10.439  398.486   17.212 -6.335663 20.12996 
1 1 1   12   20   17 o  135.893   8.9405  2853.13  368.762  3296.53  501.834  2332.68  543.692  145.590   11.384  121.401   14.991 24.18882 18.82354 
1 1 1   12   20   18 o  188.272   4.1951  5419.47  241.072  6372.53  337.082  4421.63  344.909  204.033   5.4128  169.823   6.6541 34.20947 8.577604 
1 1 1   12   20   19 o  370.368   9.6625 21144.13  1092.30 21144.13  1092.30   0.0000   0.0000  370.368   9.6625  ?   ?  0.000000 9.662523 
1 1 1   12   20   20 o  297.844   5.8855 13590.36  535.041 13590.36  535.041   0.0000   0.0000  297.844   5.8855  ?   ?  0.000000 5.885468 
1 1 1   12   20   21 o  257.877   4.9164 10176.90  386.968 10377.63  407.548  8338.66  1233.33  260.376   5.1281  229.016   17.783 31.35974 18.50799 
1 1 1   12   20   22 o  225.915   6.3124  7825.91  435.266  7825.91  435.266   0.0000   0.0000  225.915   6.3124  ?   ?  0.000000 6.312365 
1 1 1   12   20   23 o  105.120   4.3359  1690.32  139.116  1755.23  156.747  1449.51  301.919  107.091   4.7954   96.267   10.443 10.82471 11.49125 
1 1 1   12   20   24 o  176.014   7.7159  4764.52  414.526  4888.04  767.175  4713.58  492.630  176.077   14.401  174.534   9.2808 1.542572 17.13249 
1 1 1   12   20   25 o   80.197   3.3298  982.999   81.505  991.424  131.427  977.734  103.897   80.262   5.3962   79.829   4.2797 0.4336319 6.887294 
1 1 1   12   20   26 o   87.074   6.8735  1171.99  181.192  939.770  892.771  1181.97  185.043   78.472   28.649   87.426   6.9930 -8.954239 29.48989 
1 1 1   12   20   27 o   92.672   4.8217  1318.77  135.914  1349.54  224.230  1300.89  170.884   93.263   7.9531   91.865   6.1296 1.398239 10.04112 
1 1 1   12   20   28 o  132.214   2.8153  2671.13  113.611  2843.63  164.118  2512.39  157.431  136.333   3.9440  128.141   4.0252 8.192795 5.635355 
1 1 1   12   20   29 o   59.902   5.4940  554.997   99.330  555.447  170.575  554.766  122.184   59.099   9.7996   59.674   6.8313 -0.5757790 11.94567 
1 1 1   12   20   30 o  243.912   4.1037  9107.36  305.513  9958.30  479.714  8526.71  396.269  254.557   6.1742  235.718   5.5078 18.83966 8.273859 
1 1 1   12   20   31 o  238.469   5.4911  8730.43  399.679  8667.23  497.241  8845.79  671.835  237.208   6.8679  238.755   9.2192 -1.546982 11.49615 
1 1 1   12   20   32 o  206.029   3.8131  6498.18  239.783  6705.58  288.427  6034.08  431.458  209.160   4.5180  197.765   7.1478 11.39441 8.455925 
1 1 1   12   20   33 o  102.882   2.5495  1617.77   80.060  1724.15  134.079  1558.83   99.805  106.080   4.1410  100.944   3.2393 5.136543 5.257515 
1 1 1   12   20   34 o   76.875   3.8211  905.189   89.660  819.639  185.450  931.286  102.426   72.144   8.5908   77.817   4.3295 -5.672546 9.620111 
1 1 1   12   20   35 f   36.516   4.4170  207.494   48.228  191.406   88.629  214.262   57.484   34.415   8.4900   36.975   5.2403 -2.560215 9.976982 
1 1 1   12   20   36 o   82.053   4.8874  1038.11  121.847  1048.70  131.566  974.240  323.027   82.406   5.2582   76.620   14.340 5.786102 15.27345 
1 1 1   12   20   37 o  110.931   4.8785  1891.66  165.180   0.0000   0.0000  1891.66  165.180  ?   ?   110.931   4.8785 0.000000 4.878513 
1 1 1   12   21    0 o   69.602   4.8561  750.825  102.010  750.825  102.010  750.825  102.010   69.602   4.8561   69.602   4.8561 0.000000 0.000000 
1 1 1   12   21    1 o  289.928   7.7441 12900.68  685.295 12978.64  1659.87 12884.67  752.415  286.172   19.113  289.579   8.5128 -3.407074 20.92335 
1 1 1   12   21    2 o  202.650   6.3325  6291.00  391.687  5218.90  424.030 12525.33  1022.53  184.432   7.5326  284.632   11.770 -100.1991 13.97393 
1 1 1   12   21    3 o  229.634   16.315  8288.11  1136.04  8288.11  1136.04   0.0000   0.0000  229.634   16.315  ?   ?  0.000000 16.31456 
1 1 1   12   21    4 o  361.015   23.523 21009.45  2577.84 21009.45  2577.84   0.0000   0.0000  361.015   23.523  ?   ?  0.000000 23.52303 
1 1 1   12   21    5 o  177.047   5.6414  4798.26  304.852  4696.98  333.503  5312.90  751.776  175.109   6.2398  184.532   13.440 -9.422958 14.81773 
1 1 1   12   21    6 o  407.630   14.463 25869.30  1799.49 25354.48  3114.23 26127.35  2204.83  394.243   26.027  407.645   17.720 -13.40128 31.48659 
1 1 1   12   21    7 o  270.191   5.7051 11176.41  470.490 10710.93  666.729 11638.13  664.028  264.046   8.2728  275.317   7.9020 -11.27127 11.44029 
1 1 1   12   21    8 o  364.751   16.430 20842.58  1829.21 19918.42  2594.14 21756.49  2579.72  350.461   24.404  367.433   23.121 -16.97226 33.61696 
1 1 1   12   21    9 o  324.979   8.0354 16221.01  797.037 15516.88  948.267 17915.72  1471.14  317.357   9.7896  339.240   14.208 -21.88232 17.25404 
1 1 1   12   21   10 o  349.913   15.778 19154.77  1685.10 17297.39  2384.41 21008.02  2381.76  326.505   24.096  362.003   21.655 -35.49738 32.39750 
1 1 1   12   21   11 o  142.652   12.237  3175.20  527.652   0.0000   0.0000  3175.20  527.652  ?   ?   142.652   12.237 0.000000 12.23710 
1 1 1   12   21   12 o  237.583   16.387  8893.45  1181.07   0.0000   0.0000  8893.45  1181.07  ?   ?   237.583   16.387 0.000000 16.38732 
1 1 1   12   21   13 o  161.148   5.5658  3976.16  273.761   0.0000   0.0000  3976.16  273.761  ?   ?   161.148   5.5658 0.000000 5.565838 
1 1 1   12   21   14 o  195.052   14.260  5963.62  843.074   0.0000   0.0000  5963.62  843.074  ?   ?   195.052   14.260 0.000000 14.25997 
1 1 1   12   21   15 o  232.004   5.9295  8246.54  419.886  8392.06  498.925  7893.25  777.377  233.865   6.9896  225.833   11.278 8.032074 13.26820 
1 1 1   12   21   16 o   59.145   8.6330  549.420  151.256  689.873  338.662  514.422  169.054   64.988   16.911   56.907   10.103 8.080475 19.69887 
1 1 1   12   21   17 o  147.378   4.9818  3324.40  224.099  3118.15  263.953  3856.89  424.128  142.633   6.0630  158.013   8.8293 -15.37982 10.71059 
1 1 1   12   21   18 o  253.105   8.6980  9865.97  671.952 10656.74  1012.84  9244.28  898.049  261.723   12.679  243.984   12.059 17.73909 17.49804 
1 1 1   12   21   19 o  219.394   5.6909  7375.49  381.083  6855.22  482.436  8238.79  621.451  211.205   7.4837  231.231   8.8053 -20.02623 11.55593 
1 1 1   12   21   20 o  161.423   9.4089  4035.37  461.567  4012.51  699.820  4052.97  614.064  159.374   14.547  160.855   12.608 -1.480713 19.25028 
1 1 1   12   21   21 o  309.203   7.7354 14708.15  730.037 14381.04  869.604 15489.04  1343.58  305.190   9.3354  314.461   13.998 -9.271210 16.82581 
1 1 1   12   21   22 o  291.143   7.5479 13039.39  670.731 12582.18  799.703 14124.01  1231.70  285.452   9.1786  300.440   13.432 -14.98837 16.26833 
1 1 1   12   21   23 o  190.284   4.2743  5540.58  248.247  5564.84  275.112  5434.25  575.968  190.643   4.7279  187.038   10.127 3.605621 11.17613 
1 1 1   12   21   24 o  226.426   6.6613  7877.75  460.362  8026.06  515.346  7291.87  1024.28  228.367   7.3935  213.993   15.794 14.37437 17.43851 
1 1 1   12   21   25 o  116.533   12.971  2153.04  453.539  2104.71  1006.12  2165.37  508.090  107.984   29.631  116.289   14.639 -8.305374 33.04955 
1 1 1   12   21   26 o   35.194   11.656  184.943  145.870  404.671  896.960  178.974  147.838   66.256   27.350   34.882   11.738 31.37474 29.76235 
1 1 1   12   21   27 o  168.876   6.5525  4386.65  337.749  4435.25  613.629  4365.52  404.542  167.855   12.058  168.176   7.8810 -0.3213654 14.40468 
1 1 1   12   21   28 f   39.472   4.0794  241.072   48.439  337.589   81.960  189.265   60.047   46.509   5.9069   34.626   5.8928 11.88289 8.343601 
1 1 1   12   21   29 o   24.197   7.7530   88.430   64.809   95.242   74.979   68.305  128.873   25.353   8.3551   27.074   10.646 -1.721251 13.53277 
1 1 1   12   21   30 o   90.265   2.9854  1245.94   82.251  1303.28  119.817  1194.84  113.113   92.222   4.2566   88.308   4.1966 3.914673 5.977469 
1 1 1   12   21   31 o  173.876   4.5699  4637.30  242.531  4713.34  302.557  4500.59  405.670  175.060   5.6624  170.474   7.7964 4.585434 9.635756 
1 1 1   12   21   32 o  169.422   8.9892  4484.35  463.184  4422.56  596.837  4577.90  734.449  166.868   11.794  168.170   14.449 -1.302399 18.65143 
1 1 1   12   21   33 f   30.776   8.8361  151.191   87.363  151.191   87.363   0.0000   0.0000   30.776   8.8361  ?   ?  0.000000 8.836103 
1 1 1   12   21   34 o   69.180   4.8505  739.000  101.771  719.729  119.453  790.028  194.378   68.095   5.8026   70.505   9.2562 -2.409668 10.92464 
1 1 1   12   21   35 o   52.211   5.3651  424.067   84.281  458.331   98.981  333.717  160.730   54.157   6.0938   44.982   11.623 9.175217 13.12399 
1 1 1   12   22    0 o  295.540   19.664 13761.52  1755.75 13761.52  1755.75 13761.52  1755.75  295.540   19.664  295.540   19.664 0.000000 0.000000 
1 1 1   12   22    1 o  388.600   10.125 23300.58  1200.94 23077.69  1320.73 24364.79  2885.92  386.265   11.202  386.536   24.589 -0.2714233 27.02060 
1 1 1   12   22    2 o  244.589   6.9635  9177.62  519.857 10523.93  1273.87  8908.61  569.432  258.482   16.229  240.829   7.7467 17.65366 17.98295 
1 1 1   12   22    3 o  268.411   12.543 11182.45  1027.57 11656.85  1459.37 10715.98  1447.12  271.271   17.723  259.694   18.376 11.57751 25.52969 
1 1 1   12   22    4 o  128.748   12.537  2596.00  486.411   0.0000   0.0000  2596.00  486.411  ?   ?   128.748   12.537 0.000000 12.53694 
1 1 1   12   22    5 o  141.744   13.364  3152.19  571.335  3152.19  571.335   0.0000   0.0000  141.744   13.364  ?   ?  0.000000 13.36371 
1 1 1   12   22    6 o  407.051   11.475 25655.24  1425.68 25655.24  1425.68   0.0000   0.0000  407.051   11.475  ?   ?  0.000000 11.47512 
1 1 1   12   22    7 o  161.542   8.5178  4025.74  418.494  825.638  530.216  9313.51  681.564   71.410   22.082  245.905   9.0808 -174.4945 23.87628 
1 1 1   12   22    8 o  150.418   4.6934  3461.53  215.476  3608.10  247.345  3000.15  438.849  153.519   5.2787  138.980   10.421 14.53815 11.68186 
1 1 1   12   22    9 o  318.654   8.4153 15622.36  818.480   0.0000   0.0000 15622.36  818.480  ?   ?   318.654   8.4153 0.000000 8.415339 
1 1 1   12   22   10 o  405.753   17.686 26043.11  2190.35   0.0000   0.0000 26043.11  2190.35  ?   ?   405.753   17.686 0.000000 17.68617 
1 1 1   12   22   11 o  184.639   9.6041  5273.55  539.382   0.0000   0.0000  5273.55  539.382  ?   ?   184.639   9.6041 0.000000 9.604110 
1 1 1   12   22   12 o  186.654   5.3669  5335.53  305.761  5281.62  358.892  5478.26  583.949  185.582   6.3359  188.012   10.214 -2.429733 12.01977 
1 1 1   12   22   13 o  101.210   4.7110  1567.56  145.530  1526.92  159.974  1762.60  350.471   99.716   5.2749  106.138   10.977 -6.421745 12.17865 
1 1 1   12   22   14 o  218.052   15.450  7509.79  1021.58   0.0000   0.0000  7509.79  1021.58  ?   ?   218.052   15.450 0.000000 15.44950 
1 1 1   12   22   15 o  210.415   15.054  6988.51  960.433   0.0000   0.0000  6988.51  960.433  ?   ?   210.415   15.054 0.000000 15.05397 
1 1 1   12   22   16 o  189.149   14.012  5631.94  803.212   0.0000   0.0000  5631.94  803.212  ?   ?   189.149   14.012 0.000000 14.01231 
1 1 1   12   22   17 o  274.667   6.7155 11585.31  562.994 11611.09  670.246 11523.53  1037.56  274.617   7.9963  271.859   12.504 2.757721 14.84226 
1 1 1   12   22   18 o  202.045   5.7843  6259.80  356.711  6042.68  421.871  6804.35  668.117  198.296   6.9703  209.521   10.447 -11.22534 12.55913 
1 1 1   12   22   19 o   85.680   4.0007  1123.00  104.625  1118.65  117.544  1139.55  229.544   85.367   4.5274   85.458   8.9323 -0.9095001E-01 10.01418 
1 1 1   12   22   20 o  331.895   7.1319 16943.39  722.476 17803.27  842.661 14557.32  1403.71  339.817   8.1244  303.492   15.153 36.32422 17.19397 
1 1 1   12   22   21 o   92.276   7.0623  1317.43  197.395  1252.20  385.890  1340.55  229.726   87.923   14.912   92.871   8.1881 -4.948349 17.01250 
1 1 1   12   22   22 o  145.643   3.7667  3244.98  167.444  3774.78  212.106  2368.69  272.786  157.011   4.4259  123.825   7.2493 33.18623 8.493612 
1 1 1   12   22   23 o  329.890   6.7825 16745.23  682.932 18290.37  887.086 14496.90  1070.07  343.999   8.4487  304.614   11.509 39.38538 14.27735 
1 1 1   12   22   24 o   46.074   7.4642  335.477  101.376  325.065  220.893  338.255  114.103   45.402   14.288   46.076   8.4238 -0.6743660 16.58652 
1 1 1   12   22   25 o  160.091   4.9084  3930.27  239.840  4131.00  297.667  3558.79  404.943  163.943   5.9487  151.285   8.8077 12.65808 10.62840 
1 1 1   12   22   26 o  119.679   3.4323  2191.40  125.377  2255.10  153.574  2064.09  217.107  121.336   4.1468  115.665   6.1720 5.670692 7.435672 
1 1 1   12   22   27 o  124.132   4.1425  2360.79  156.952  2182.67  209.554  2588.38  236.876  119.140   5.7626  129.703   5.9835 -10.56319 8.307215 
1 1 1   12   22   28 o  162.171   4.0911  4029.98  202.501  4266.68  272.557  3738.34  302.546  166.624   5.3592  155.745   6.3644 10.87909 8.320311 
1 1 1   12   22   29 o  182.710   3.6479  5112.25  203.432  5320.27  245.279  4653.77  364.139  186.263   4.3144  173.564   6.8737 12.69826 8.115499 
1 1 1   12   22   30 o   50.678   4.0916  396.282   62.750  506.381  364.149  392.913   63.703   55.594   18.417   50.449   4.1746 5.145374 18.88448 
1 1 1   12   22   31 o   82.388   4.7712  1046.22  119.467  1005.53  136.369  1180.52  247.746   80.618   5.5763   86.318   9.5642 -5.700058 11.07111 
1 1 1   12   22   32 o   64.491   11.194  676.031  212.360  582.186  388.484  716.024  253.605   58.595   19.004   65.755   13.096 -7.160576 23.07919 
1 1 1   12   22   33 o   89.871   3.3768  1237.21   92.629  1089.57  145.817  1337.10  119.937   83.856   5.7315   93.332   4.2102 -9.475960 7.111647 
1 1 1   12   23    0 o  413.868   11.614 26407.85  1464.43 26407.85  1464.43 26407.85  1464.43  413.868   11.614  413.868   11.614 0.000000 0.000000 
1 1 1   12   23    1 o  236.367   6.1116  8566.67  440.917  8978.69  483.542  6533.94  1074.03  241.900   6.5491  202.326   17.566 39.57372 18.74731 
1 1 1   12   23    2 o  100.887   4.1591  1556.71  128.072  763.327  367.039  1666.70  136.662   68.134   17.544  104.383   4.2895 -36.24890 18.06076 
1 1 1   12   23    3 f  448.593   8.8403 31017.15  1210.42 30252.39  1712.39 31780.85  1711.19  440.698   12.730  451.924   12.406 -11.22641 17.77531 
1 1 1   12   23    4 o  227.526   11.123  8025.94  772.450  8592.09  1101.97  7479.02  1083.09  233.202   15.571  217.067   16.470 16.13530 22.66577 
1 1 1   12   23    5 f  272.080   6.8330 11365.77  567.448 10771.24  671.022 12858.17  1063.15  264.488   8.3122  287.547   12.113 -23.05966 14.69106 
1 1 1   12   23    6 o  221.771   6.9578  7553.36  470.974  7553.36  470.974   0.0000   0.0000  221.771   6.9578  ?   ?  0.000000 6.957828 
1 1 1   12   23    7 o  300.694   20.184 14596.23  1841.73   0.0000   0.0000 14596.23  1841.73  ?   ?   300.694   20.184 0.000000 20.18412 
1 1 1   12   23    8 o  378.012   25.492 23785.81  2924.05   0.0000   0.0000 23785.81  2924.05  ?   ?   378.012   25.492 0.000000 25.49218 
1 1 1   12   23   10 o   18.938   7.5218   28.866   64.942   28.866   64.942   0.0000   0.0000   18.938   7.5218  ?   ?  0.000000 7.521778 
1 1 1   12   23   11 o  197.397   10.349  6052.62  621.381  5943.24  901.560  6151.59  857.617  193.571   15.386  197.444   14.329 -3.872894 21.02491 
1 1 1   12   23   12 f   89.821   4.3466  1234.61  119.165  1185.50  133.347  1429.37  265.537   87.837   4.9944   95.769   9.1973 -7.931358 10.46583 
1 1 1   12   23   13 o   39.737   11.158  252.292  140.901  252.056  277.387  252.374  163.576   43.711   15.967   40.115   12.242 3.596390 20.11998 
1 1 1   12   23   14 f  233.522   6.1198  8369.88  436.199  8206.33  516.928  8774.32  812.876  230.943   7.3335  237.510   11.213 -6.567261 13.39826 
1 1 1   12   23   15 o  117.175   7.1274  2119.72  253.697  2163.57  463.235  2100.93  303.211  116.785   13.229  116.348   8.5992 0.4369278 15.77817 
1 1 1   12   23   16 o   59.662   11.671  573.341  204.922   0.0000   0.0000  573.341  204.922  ?   ?    59.662   11.671 0.000000 11.67129 
1 1 1   12   23   17 o  240.266   16.746  9264.96  1220.39   0.0000   0.0000  9264.96  1220.39  ?   ?   240.266   16.746 0.000000 16.74608 
1 1 1   12   23   18 o  155.754   8.7362  3763.19  413.638  4151.38  1167.67  3707.48  442.321  154.892   25.592  154.387   9.4319 0.5052032 27.27515 
1 1 1   12   23   19 o  189.187   6.0167  5498.49  347.431  5393.23  432.540  5689.88  583.268  187.006   7.5780  191.083   10.036 -4.076874 12.57550 
1 1 1   12   23   20 o  107.136   3.6925  1756.28  120.745  1768.33  136.153  1711.90  261.295  107.466   4.1509  104.923   8.2250 2.542969 9.213058 
1 1 1   12   23   21 o  112.018   6.7444  1939.37  229.519   0.0000   0.0000  1939.37  229.519  ?   ?   112.018   6.7444 0.000000 6.744401 
1 1 1   12   23   22 o  224.182   8.0575  7775.95  551.334  9095.15  1399.18  7533.48  599.868  233.938   19.781  220.320   8.9204 13.61830 21.69923 
1 1 1   12   23   23 o   66.957   6.2654  696.123  126.557  840.873  333.208  671.721  136.809   71.002   15.784   65.636   6.9340 5.366364 17.24027 
1 1 1   12   23   24 o  239.705   5.0943  8823.04  372.717  9496.69  466.837  7638.72  618.985  248.335   6.1590  221.525   9.1546 26.81027 11.03359 
1 1 1   12   23   25 o  129.660   4.1013  2576.54  162.310  2460.43  542.190  2587.97  170.111  122.919   14.746  129.922   4.2898 -7.002213 15.35716 
1 1 1   12   23   26 o   48.294   5.0896  362.287   73.894  297.154   95.261  460.682  117.085   43.210   7.4947   54.098   7.2754 -10.88789 10.44519 
1 1 1   12   23   27 o   46.255   3.4429  329.406   48.260  352.704   90.950  320.276   56.936   47.376   6.4580   45.516   4.1437 1.860367 7.673040 
1 1 1   12   23   28 f   69.275   4.5368  739.955   95.397  687.594  118.440  836.663  160.962   66.528   5.8938   73.118   7.3104 -6.589775 9.390385 
1 1 1   12   23   29 o   38.511   5.7646  233.579   65.676  270.309   84.890  178.816  103.655   41.226   6.9965   33.362   9.6383 7.863567 11.90996 
1 1 1   12   23   30 o   61.424   11.322  616.685  204.438  602.301  370.736  622.971  245.066   59.162   18.493   61.014   13.515 -1.852257 22.90537 
1 1 1   12   24    0 o  117.474   5.0292  2121.29  179.574  2121.29  179.574  2121.29  179.574  117.474   5.0292  117.474   5.0292 0.000000 0.000000 
1 1 1   12   24    1 o  338.739   15.428 18150.09  1595.10 18054.62  2257.24 18245.31  2254.39  330.779   22.491  332.705   22.329 -1.926422 31.69309 
1 1 1   12   24    2 o  159.992   13.134  4034.60  635.701  4034.60  635.701   0.0000   0.0000  159.992   13.134  ?   ?  0.000000 13.13368 
1 1 1   12   24    3 o  186.099   6.1776  5316.53  350.900  5316.53  350.900   0.0000   0.0000  186.099   6.1776  ?   ?  0.000000 6.177648 
1 1 1   12   24    4 o   83.501   9.2411  1090.81  231.575  1365.52  347.219  870.727  310.793   92.669   12.603   73.183   14.427 19.48581 19.15612 
1 1 1   12   24    6 o  129.279   5.0525  2560.97  199.368   0.0000   0.0000  2560.97  199.368  ?   ?   129.279   5.0525 0.000000 5.052539 
1 1 1   12   24    7 f   63.782   4.6127  626.200   89.194   0.0000   0.0000  626.200   89.194  ?   ?    63.782   4.6127 0.000000 4.612732 
1 1 1   12   24    8 o  154.450   4.8985  3654.83  230.926  3737.50  253.168  3245.38  563.410  156.133   5.3125  143.310   13.023 12.82372 14.06455 
1 1 1   12   24    9 o  183.903   14.593  5374.34  812.403  5374.34  812.403   0.0000   0.0000  183.903   14.593  ?   ?  0.000000 14.59314 
1 1 1   12   24   10 o  141.263   4.6906  3056.83  202.244  2891.57  231.753  3584.66  414.174  137.292   5.5305  151.968   8.9690 -14.67595 10.53703 
1 1 1   12   24   11 o  113.167   9.9229  2002.41  339.286  1930.14  441.218  2106.96  530.734  110.011   13.418  114.168   15.642 -4.156914 20.60864 
1 1 1   12   24   12 o  192.079   5.9265  5665.92  347.450  5550.58  373.905  6395.62  940.419  190.005   6.4473  199.913   15.534 -9.908768 16.81893 
1 1 1   12   24   13 o   41.639   14.761  244.052  234.993  145.378  267.654  575.963  490.889   38.781   15.312   61.128   21.363 -22.34743 26.28386 
1 1 1   12   24   14 o  185.822   5.7412  5302.65  325.624  5286.20  352.407  5398.66  851.542  185.431   6.2265  183.463   15.348 1.968033 16.56279 
1 1 1   12   24   15 o  120.755   8.5683  2268.34  313.753  2209.53  477.560  2313.00  416.175  117.522   13.562  121.077   11.396 -3.554970 17.71443 
1 1 1   12   24   16 o  216.889   6.1991  7235.43  410.379  7253.80  451.682  7148.53  982.330  216.986   6.8200  210.913   15.365 6.072678 16.81061 
1 1 1   12   24   17 o   24.964   9.8070   57.775  109.279  134.641  266.979   42.305  119.772   38.209   15.227   24.933   10.107 13.27594 18.27598 
1 1 1   12   24   18 o  131.924   8.9841  2715.58  359.599   0.0000   0.0000  2715.58  359.599  ?   ?   131.924   8.9841 0.000000 8.984055 
1 1 1   12   24   19 o  105.917   8.7047  1753.34  278.918   0.0000   0.0000  1753.34  278.918  ?   ?   105.917   8.7047 0.000000 8.704729 
1 1 1   12   24   20 o  151.218   8.5966  3563.46  395.136  4015.54  1091.16  3495.23  423.907  150.332   24.634  149.482   9.3378 0.8503571 26.34446 
1 1 1   12   24   21 o   69.936   6.5456  760.967  138.098  1013.78  220.161  596.974  177.318   80.161   9.1629   61.077   9.8465 19.08354 13.45037 
1 1 1   12   24   22 o   34.572   5.7251  188.768   58.297  205.773   71.177  154.112  101.611   35.936   6.7367   31.361   9.6617 4.575247 11.77847 
1 1 1   12   24   23 o   61.858   3.8860  588.723   72.997  931.667  340.732  572.226   74.732   74.475   15.494   60.962   4.0392 13.51272 16.01187 
1 1 1   12   24   24 o  140.631   4.0148  3032.55  172.331  3262.78  219.653  2663.94  277.929  145.695   4.9394  131.006   6.9758 14.68895 8.547461 
1 1 1   12   24   25 o  149.071   7.1482  3444.83  325.245  3825.15  624.909  3303.53  380.901  153.590   13.466  145.229   8.6318 8.361084 15.99512 
1 1 1   12   24   26 f  127.103   4.4791  2481.42  173.764  2476.86  208.012  2491.94  316.104  126.807   5.3744  126.151   8.2551 0.6554031 9.850442 
1 1 1   12   24   27 o   81.580   3.0917  1018.96   76.983  980.746  126.256  1041.58   97.127   79.633   5.2234   82.407   3.8615 -2.773811 6.495810 
1 1 1   12   25    0 o  157.292   5.6067  3800.25  268.396  3800.25  268.396  3800.25  268.396  157.292   5.6067  157.292   5.6067 0.000000 0.000000 
1 1 1   12   25    1 o   61.457   10.949  606.166  197.860  570.729  286.159  638.626  273.877   58.742   15.671   62.233   14.660 -3.490433 21.45888 
1 1 1   12   25    2 o  138.228   12.738  3030.06  531.385   0.0000   0.0000  3030.06  531.385  ?   ?   138.228   12.738 0.000000 12.73828 
1 1 1   12   25    3 o   46.421   5.1747  334.612   72.072   0.0000   0.0000  334.612   72.072  ?   ?    46.421   5.1747 0.000000 5.174717 
1 1 1   12   25    5 o   44.551   4.9597  308.083   66.296  337.745   70.049   53.276  205.309   46.666   4.9955   31.660   13.078 15.00601 13.99977 
1 1 1   12   25    6 o   75.245   4.2363  869.893   96.897  843.588  322.238  872.508  101.600   71.468   15.238   75.334   4.4382 -3.865669 15.87088 
1 1 1   12   25    7 o  160.120   5.2714  3934.90  257.625  3920.20  282.671  4007.01  626.020  159.726   5.7981  158.834   13.028 0.8924561 14.25974 
1 1 1   12   25    8 o  272.366   6.8672 11432.13  570.884 11110.96  675.408 12235.65  1068.31  267.933   8.2589  278.621   12.562 -10.68832 15.03389 
1 1 1   12   25    9 o   91.604   8.5234  1311.00  235.575  1473.09  361.896  1191.82  310.326   95.882   12.677   86.277   12.119 9.605530 17.53746 
1 1 1   12   25   10 f  116.560   3.3688  2078.51  119.852  2107.71  176.598  2053.58  163.187  117.210   4.9363  115.733   4.6197 1.476860 6.760805 
1 1 1   12   25   11 o   93.641   8.4624  1370.06  239.253  1427.21  371.223  1329.46  312.911   94.052   13.303   91.352   11.476 2.700218 17.56848 
1 1 1   12   25   12 o   21.185   7.2157   63.977   55.871   60.860   60.292   82.921  148.643   21.201   7.4812   29.203   11.448 -8.001949 13.67608 
1 1 1   12   25   13 o   74.847   8.7603  881.616  196.344  916.088  320.567  860.920  248.385   74.482   14.623   73.173   11.501 1.309486 18.60378 
1 1 1   12   25   14 o  126.404   4.7950  2452.10  184.996  2418.94  203.237  2612.33  446.780  125.467   5.3071  128.300   11.532 -2.832916 12.69479 
1 1 1   12   25   15 o   79.055   11.386  1002.93  266.802  815.387  333.519  1336.24  444.633   69.612   16.028   89.183   16.954 -19.57092 23.33135 
1 1 1   12   25   16 o   96.192   4.6644  1420.14  136.946  1410.84  143.035  1522.41  474.415   95.724   4.9121   95.236   16.942 0.4882050 17.63946 
1 1 1   12   25   17 o   53.220   13.869  471.288  227.574   0.0000   0.0000  471.288  227.574  ?   ?    53.220   13.869 0.000000 13.86923 
1 1 1   12   25   18 o  208.196   15.767  7109.51  994.482   0.0000   0.0000  7109.51  994.482  ?   ?   208.196   15.767 0.000000 15.76673 
1 1 1   12   25   19 o  123.484   12.170  2447.91  452.716   0.0000   0.0000  2447.91  452.716  ?   ?   123.484   12.170 0.000000 12.16977 
1 1 1   12   25   20 o   93.387   10.711  1393.18  299.778   0.0000   0.0000  1393.18  299.778  ?   ?    93.387   10.711 0.000000 10.71084 
1 1 1   12   25   21 f  112.174   11.076  2011.49  374.252   0.0000   0.0000  2011.49  374.252  ?   ?   112.174   11.076 0.000000 11.07554 
1 1 1   12   25   22 o  104.921   10.864  1761.24  342.874   0.0000   0.0000  1761.24  342.874  ?   ?   104.921   10.864 0.000000 10.86411 
1 1 1   12   25   23 o   77.235   10.486  959.481  240.806   0.0000   0.0000  959.481  240.806  ?   ?    77.235   10.486 0.000000 10.48610 
1 1 1   12   26    2 o   31.352   7.5883  158.171   71.834  187.061  236.561  155.237   75.394   38.784   14.636   31.062   7.9262 7.721916 16.64466 
1 1 1   12   26    3 o   83.172   3.2621  1058.53   82.811  1061.34  119.053  1055.90  115.264   83.029   4.7173   82.837   4.5766 0.1925430 6.572481 
1 1 1   12   26    4 o   49.705   12.073  405.901  181.339  557.432  306.815  324.549  224.807   57.650   16.561   45.164   14.436 12.48685 21.96995 
1 1 1   12   26    5 o   46.992   5.9851  345.435   83.896  345.435   83.896   0.0000   0.0000   46.992   5.9851  ?   ?  0.000000 5.985058 
1 1 1   12   26    6 o  113.732   3.4845  1980.27  120.959  1955.93  175.818  2002.14  166.671  112.828   5.1054  114.200   4.7816 -1.372185 6.994919 
1 1 1   12   26    7 o  144.021   9.0445  3245.57  395.567  3487.98  591.551  3049.50  532.006  147.267   13.304  137.905   12.785 9.362152 18.45112 
1 1 1   12   26    8 o  121.249   4.6807  2256.77  173.223  2270.97  190.110  2187.31  420.422  121.559   5.1239  116.965   11.944 4.594894 12.99670 
1 1 1   12   26    9 o   77.418   4.2571  921.963  100.207  1060.16  378.182  911.528  103.922   79.349   16.164   76.951   4.4435 2.398453 16.76357 
1 1 1   12   26   10 o  100.235   4.4492  1541.77  136.118  1534.42  148.621  1580.01  339.056   99.941   4.8721   99.394   11.381 0.5469589 12.38031 
1 1 1   12   26   11 o   57.274   12.521  541.430  212.772   0.0000   0.0000  541.430  212.772  ?   ?    57.274   12.521 0.000000 12.52062 
1 1 1   12   26   12 o  135.339   4.5583  2812.29  188.296  2891.07  206.708  2428.25  456.401  137.150   4.9379  122.907   12.332 14.24270 13.28432 
1 1 1   12   26   13 o   64.732   9.3622  668.615  179.603  636.270  302.011  686.312  223.398   61.146   15.998   64.857   11.716 -3.710468 19.82949 
1 1 1   12   26   14 o   88.321   4.2837  1197.19  115.479  1158.62  129.829  1343.29  252.690   86.672   4.9280   92.241   9.0936 -5.569336 10.34305 
1 1 1   12   26   15 o   34.512   11.130  185.329  133.409   0.0000   0.0000  185.329  133.409  ?   ?    34.512   11.130 0.000000 11.13048 
1 1 1   12   26   16 o   86.923   7.9489  1185.90  208.557   0.0000   0.0000  1185.90  208.557  ?   ?    86.923   7.9489 0.000000 7.948922 
1 1 1   12   26   17 o  104.243   8.0982  1704.26  255.643   0.0000   0.0000  1704.26  255.643  ?   ?   104.243   8.0982 0.000000 8.098227 
1 1 1   12   26   18 o   86.821   4.0084  1156.75  106.223  1201.23  125.605  1045.06  199.041   88.266   4.6790   81.457   8.1137 6.809006 9.366116 
1 1 1   12   26   19 o  134.379   4.6438  2776.92  190.466  2646.04  225.245  3105.31  356.794  130.939   5.6360  140.686   8.3463 -9.747269 10.07103 
1 1 1   12   27    0 o   24.536   14.955   89.094  211.049   89.094  211.049   89.094  211.049   24.536   14.955   24.536   14.955 0.000000 0.000000 
1 1 1   12   27    1 o   29.702   6.5366  141.665   57.651  138.799   59.821  179.031  215.985   29.368   6.8066   37.292   14.003 -7.923750 15.57005 
1 1 1   12   27    2 o   76.725   15.267  992.228  344.954  992.228  344.954   0.0000   0.0000   76.725   15.267  ?   ?  0.000000 15.26718 
1 1 1   12   27    3 o   98.554   4.8963  1493.64  147.286  1493.64  147.286   0.0000   0.0000   98.554   4.8963  ?   ?  0.000000 4.896328 
1 1 1   12   27    4 o   59.621   5.3508  551.744   96.335  551.744   96.335   0.0000   0.0000   59.621   5.3508  ?   ?  0.000000 5.350761 
1 1 1   12   27    5 o   86.529   4.3013  1149.50  113.602  1199.00  373.872  1144.46  119.240   84.589   15.031   86.192   4.5486 -1.602783 15.70461 
1 1 1   12   27    6 o   94.318   4.5581  1366.85  131.219  1354.36  142.947  1433.72  330.787   93.689   5.0170   94.191   11.762 -0.5015640 12.78763 
1 1 1   12   27    7 o  168.118   13.723  4606.33  698.015   0.0000   0.0000  4606.33  698.015  ?   ?   168.118   13.723 0.000000 13.72264 
1 1 1   12   27    8 o   82.208   3.2296  1034.99   81.037  1194.46  123.506  914.432  107.384   88.037   4.6123   77.002   4.5898 11.03572 6.506933 
1 1 1   12   27    9 o   86.562   9.1519  1187.95  238.132  1199.39  398.046  1181.57  297.179   83.910   16.128   85.339   11.719 -1.428368 19.93558 
1 1 1   12   27   10 o  178.292   5.3659  4899.57  292.009  4979.17  321.266  4521.30  700.355  179.564   5.8618  166.161   13.938 13.40286 15.12056 
1 1 1   12   27   11 o   55.116   5.2176  472.100   86.730  485.222   96.338  415.982  199.224   55.780   5.7405   49.836   12.971 5.943726 14.18494 
1 1 1   12   27   12 o   48.954   3.2505  368.714   48.292  482.826   77.652  296.744   61.668   55.851   4.5959   43.677   4.6998 12.17447 6.573516 
1 1 1   13    0    1 o  268.779   12.641 11126.36  1031.83 11126.36  1031.83 11126.36  1031.83  268.779   12.641  268.779   12.641 0.000000 0.000000 
1 1 1   13    0    2 o  147.744   9.4134  3376.41  420.545  3376.41  420.545  3376.41  420.545  147.744   9.4134  147.744   9.4134 0.000000 0.000000 
1 1 1   13    0    3 o  436.525   9.6827 29168.75  1288.66 29168.75  1288.66 29168.75  1288.66  436.525   9.6827  436.525   9.6827 0.000000 0.000000 
1 1 1   13    0    4 o  352.530   8.7081 19025.01  935.705 19025.01  935.705 19025.01  935.705  352.530   8.7081  352.530   8.7081 0.000000 0.000000 
1 1 1   13    0    5 o  447.595   10.639 30685.66  1451.59 30685.66  1451.59 30685.66  1451.59  447.595   10.639  447.595   10.639 0.000000 0.000000 
1 1 1   13    0    6 o   90.795   11.522  1320.33  305.304  1320.33  305.304  1320.33  305.304   90.795   11.522   90.795   11.522 0.000000 0.000000 
1 1 1   13    0    7 o   59.515   4.8055  551.280   85.984  551.280   85.984  551.280   85.984   59.515   4.8055   59.515   4.8055 0.000000 0.000000 
1 1 1   13    0    8 o  404.579   9.7555 25067.99  1203.09 25067.99  1203.09 25067.99  1203.09  404.579   9.7555  404.579   9.7555 0.000000 0.000000 
1 1 1   13    0    9 o  104.590   3.6504  1675.93  116.209  1675.93  116.209  1675.93  116.209  104.590   3.6504  104.590   3.6504 0.000000 0.000000 
1 1 1   13    0   10 o  273.342   5.8149 11425.74  484.645 11425.74  484.645 11425.74  484.645  273.342   5.8149  273.342   5.8149 0.000000 0.000000 
1 1 1   13    0   11 o  172.742   6.0736  4574.24  319.332  4574.24  319.332  4574.24  319.332  172.742   6.0736  172.742   6.0736 0.000000 0.000000 
1 1 1   13    0   12 o  260.611   18.238 10589.81  1434.44 10589.81  1434.44 10589.81  1434.44  260.611   18.238  260.611   18.238 0.000000 0.000000 
1 1 1   13    0   13 o  151.346   4.0663  3504.51  187.531  3504.51  187.531  3504.51  187.531  151.346   4.0663  151.346   4.0663 0.000000 0.000000 
1 1 1   13    0   14 o  115.643   3.9996  2049.00  140.790  2049.00  140.790  2049.00  140.790  115.643   3.9996  115.643   3.9996 0.000000 0.000000 
1 1 1   13    0   15 o  130.068   8.4702  2618.92  332.993  2618.92  332.993  2618.92  332.993  130.068   8.4702  130.068   8.4702 0.000000 0.000000 
1 1 1   13    0   16 o  233.948   5.9994  8376.65  427.759  8376.65  427.759  8376.65  427.759  233.948   5.9994  233.948   5.9994 0.000000 0.000000 
1 1 1   13    0   17 o  117.862   3.9307  2127.91  141.046  2127.91  141.046  2127.91  141.046  117.862   3.9307  117.862   3.9307 0.000000 0.000000 
1 1 1   13    0   18 o  160.678   4.2196  3950.01  206.615  3950.01  206.615  3950.01  206.615  160.678   4.2196  160.678   4.2196 0.000000 0.000000 
1 1 1   13    0   19 o  115.677   5.1702  2055.79  181.716  2055.79  181.716  2055.79  181.716  115.677   5.1702  115.677   5.1702 0.000000 0.000000 
1 1 1   13    0   20 o  335.174   8.2512 17208.43  842.967 17208.43  842.967 17208.43  842.967  335.174   8.2512  335.174   8.2512 0.000000 0.000000 
1 1 1   13    0   21 o  125.493   9.6504  2452.09  364.616  2452.09  364.616  2452.09  364.616  125.493   9.6504  125.493   9.6504 0.000000 0.000000 
1 1 1   13    0   22 o  493.000   11.044 37282.60  1659.90 37282.60  1659.90 37282.60  1659.90  493.000   11.044  493.000   11.044 0.000000 0.000000 
1 1 1   13    0   23 o  419.213   9.6453 26939.10  1232.67 26939.10  1232.67 26939.10  1232.67  419.213   9.6453  419.213   9.6453 0.000000 0.000000 
1 1 1   13    0   24 o  219.329   15.246  7500.25  1009.29  7500.25  1009.29  7500.25  1009.29  219.329   15.246  219.329   15.246 0.000000 0.000000 
1 1 1   13    0   25 o  154.029   5.3211  3637.00  249.486  3637.00  249.486  3637.00  249.486  154.029   5.3211  154.029   5.3211 0.000000 0.000000 
1 1 1   13    0   26 o  383.630   16.562 22791.12  1931.03 22791.12  1931.03 22791.12  1931.03  383.630   16.562  383.630   16.562 0.000000 0.000000 
1 1 1   13    0   27 o  112.996   3.4348  1954.75  118.217  1954.75  118.217  1954.75  118.217  112.996   3.4348  112.996   3.4348 0.000000 0.000000 
1 1 1   13    0   28 o   85.197   7.7139  1136.98  196.812  1136.98  196.812  1136.98  196.812   85.197   7.7139   85.197   7.7139 0.000000 0.000000 
1 1 1   13    0   29 o   53.430   5.5792  450.217   88.714  450.217   88.714  450.217   88.714   53.430   5.5792   53.430   5.5792 0.000000 0.000000 
1 1 1   13    0   30 o  227.401   6.3501  7921.75  439.974  7921.75  439.974  7921.75  439.974  227.401   6.3501  227.401   6.3501 0.000000 0.000000 
1 1 1   13    0   31 o  569.765   10.484 49793.16  1821.76 49793.16  1821.76 49793.16  1821.76  569.765   10.484  569.765   10.484 0.000000 0.000000 
1 1 1   13    0   32 o  498.864   11.315 38217.89  1720.93 38217.89  1720.93 38217.89  1720.93  498.864   11.315  498.864   11.315 0.000000 0.000000 
1 1 1   13    0   33 o   16.541   10.541   9.8946  117.497   9.8946  117.497   9.8946  117.497   16.541   10.541   16.541   10.541 0.000000 0.000000 
1 1 1   13    0   34 o  131.268   6.2870  2651.64  250.576  2651.64  250.576  2651.64  250.576  131.268   6.2870  131.268   6.2870 0.000000 0.000000 
1 1 1   13    0   35 o  166.261   4.4605  4230.95  225.987  4230.95  225.987  4230.95  225.987  166.261   4.4605  166.261   4.4605 0.000000 0.000000 
1 1 1   13    0   36 o  214.562   5.0529  7044.62  330.498  7044.62  330.498  7044.62  330.498  214.562   5.0529  214.562   5.0529 0.000000 0.000000 
1 1 1   13    0   38 f  109.355   11.919  1899.78  385.836  1899.78  385.836  1899.78  385.836  109.355   11.919  109.355   11.919 0.000000 0.000000 
1 1 1   13    0   40 o   47.049   17.514  458.145  233.993  458.145  233.993  458.145  233.993   47.049   17.514   47.049   17.514 0.000000 0.000000 
1 1 1   13    0   41 o  175.971   4.5122  4740.01  241.993  4740.01  241.993  4740.01  241.993  175.971   4.5122  175.971   4.5122 0.000000 0.000000 
1 1 1   13    0   42 o  130.931   4.3999  2627.87  175.384  2627.87  175.384  2627.87  175.384  130.931   4.3999  130.931   4.3999 0.000000 0.000000 
1 1 1   13    0   43 o  111.163   3.1192  1891.40  105.646  1891.40  105.646  1891.40  105.646  111.163   3.1192  111.163   3.1192 0.000000 0.000000 
1 1 1   13    0   44 o  306.796   6.5079 14423.13  608.789 14423.13  608.789 14423.13  608.789  306.796   6.5079  306.796   6.5079 0.000000 0.000000 
1 1 1   13    0   45 o  257.309   5.7195 10142.48  448.689 10142.48  448.689 10142.48  448.689  257.309   5.7195  257.309   5.7195 0.000000 0.000000 
1 1 1   13    0   46 o   36.839   5.1876  219.478   55.004  219.478   55.004  219.478   55.004   36.839   5.1876   36.839   5.1876 0.000000 0.000000 
1 1 1   13    0   47 o  164.753   4.2336  4157.06  212.574  4157.06  212.574  4157.06  212.574  164.753   4.2336  164.753   4.2336 0.000000 0.000000 
1 1 1   13    0   48 o   13.098   7.6170   31.757   50.118   31.757   50.118   31.757   50.118   13.098   7.6170   13.098   7.6170 0.000000 0.000000 
1 1 1   13    0   49 o   23.813   14.799   63.318  216.305   63.318  216.305   63.318  216.305   23.813   14.799   23.813   14.799 0.000000 0.000000 
1 1 1   13    0   50 o   89.741   5.6271  1248.20  152.743  1248.20  152.743  1248.20  152.743   89.741   5.6271   89.741   5.6271 0.000000 0.000000 
1 1 1   13    0   52 o  139.519   12.418  3106.90  519.164  3106.90  519.164  3106.90  519.164  139.519   12.418  139.519   12.418 0.000000 0.000000 
1 1 1   13    1    0 o  478.456   12.526 35097.13  1826.44 35097.13  1826.44 35097.13  1826.44  478.456   12.526  478.456   12.526 0.000000 0.000000 
1 1 1   13    1    1 o  531.857   8.8774 43268.32  1441.11 45413.66  1961.56 40752.42  2124.23  544.406   11.805  515.391   13.504 29.01538 17.93602 
1 1 1   13    1    2 o  439.598   7.6203 29541.66  1022.46 30594.30  2091.81 29211.21  1172.01  446.204   15.359  437.010   8.7866 9.193817 17.69500 
1 1 1   13    1    3 o  212.180   5.4774  6876.74  354.729  7983.48  624.289  6349.04  431.081  228.448   8.9533  203.822   6.9293 24.62587 11.32149 
1 1 1   13    1    4 o  345.995   6.0079 18289.28  634.463 18856.04  865.466 17630.84  932.849  351.161   8.0747  339.480   9.0028 11.68091 12.09348 
1 1 1   13    1    5 o  244.244   5.5078  9112.50  410.601  9409.67  875.789  9028.78  464.856  247.801   11.579  243.086   6.2653 4.714828 13.16558 
1 1 1   13    1    6 o  253.051   5.9366  9783.28  458.527 10866.90  977.065  9477.23  519.257  266.241   12.024  249.017   6.8318 17.22383 13.82892 
1 1 1   13    1    7 o  192.167   4.0346  5638.60  236.645  5796.78  336.705  5484.19  332.665  194.794   5.6631  189.466   5.7525 5.328018 8.072346 
1 1 1   13    1    8 o  109.460   3.6814  1829.33  122.993  1996.81  170.893  1649.36  177.152  114.341   4.8967  103.754   5.6149 10.58714 7.450207 
1 1 1   13    1    9 o  113.674   2.9977  1972.60  104.006  1872.59  175.919  2026.35  128.957  110.720   5.2056  115.203   3.6675 -4.483200 6.367769 
1 1 1   13    1   10 o  198.030   4.1317  5988.43  249.733  6253.18  665.136  5944.98  269.446  201.709   10.843  197.299   4.4743 4.409454 11.73025 
1 1 1   13    1   11 o  170.879   6.8021  4463.85  354.769  4260.50  499.349  4671.10  504.124  166.494   9.8703  174.401   9.5063 -7.907013 13.70377 
1 1 1   13    1   12 o  262.835   4.6806 10551.65  375.497 10545.49  551.873 10556.95  512.387  262.629   6.8846  262.805   6.3877 -0.1761475 9.391549 
1 1 1   13    1   13 o  204.224   4.0163  6369.14  250.354  6363.40  362.765  6374.36  345.941  204.059   5.8244  204.247   5.5492 -0.1884613 8.044701 
1 1 1   13    1   14 o  604.423   8.4707 55919.30  1562.70 54067.81  2497.31 57110.86  2003.41  592.877   13.800  610.274   10.755 -17.39691 17.49659 
1 1 1   13    1   15 o  410.572   7.4634 25787.18  935.284 27193.23  2258.49 25496.14  1027.53  419.325   17.646  408.141   8.2484 11.18436 19.47880 
1 1 1   13    1   16 o   84.314   3.1968  1085.39   82.268  1148.64  105.794  988.622  130.847   86.725   3.9967   80.256   5.3726 6.469612 6.696141 
1 1 1   13    1   17 o   74.221   4.0492  843.820   91.383  834.127  139.799  851.050  120.752   73.597   6.2836   74.436   5.3505 -0.8392410 8.253004 
1 1 1   13    1   18 o  190.340   3.5982  5532.37  209.043  5327.76  344.157  5652.00  263.148  186.684   6.0399  192.355   4.4821 -5.670425 7.521296 
1 1 1   13    1   19 o   90.399   3.3857  1247.82   93.418  1189.73  128.679  1312.56  135.837   88.114   4.8027   92.562   4.8247 -4.448120 6.807631 
1 1 1   13    1   20 o  197.646   8.3936  5982.46  506.352  5878.80  595.682  6252.44  961.324  195.529   10.015  200.564   15.832 -5.034348 18.73399 
1 1 1   13    1   21 o  183.344   3.8677  5133.99  216.437  5189.56  302.856  5075.97  309.427  184.268   5.3848  182.231   5.5631 2.036942 7.742375 
1 1 1   13    1   22 o  560.289   11.709 48255.09  2002.45 47650.23  2280.69 50290.29  4183.49  556.135   13.436  565.347   24.244 -9.212524 27.71828 
1 1 1   13    1   23 o  415.174   6.3216 26362.75  801.075 26487.70  1346.95 26294.36  996.458  415.336   10.625  414.387   7.8784 0.9490356 13.22730 
1 1 1   13    1   24 o   59.289   3.4344  538.607   61.883  518.320   78.988  570.850   99.578   58.072   4.4913   60.870   5.4163 -2.798233 7.036158 
1 1 1   13    1   25 o  179.443   6.6373  4926.57  363.528  4940.14  513.514  4912.94  514.699  179.216   9.4208  178.714   9.4696 0.5023041 13.35754 
1 1 1   13    1   26 o   58.110   3.2023  517.208   56.577  587.812   88.736  468.846   73.441   61.840   4.7373   55.221   4.3936 6.618866 6.461102 
1 1 1   13    1   27 o  330.185   6.6934 16683.47  674.560 16261.85  808.624 17648.30  1223.24  325.776   8.1323  338.621   11.835 -12.84485 14.36001 
1 1 1   13    1   28 o  216.625   3.7864  7167.88  250.353  7112.64  424.930  7197.24  309.838  215.605   6.4571  217.017   4.6776 -1.411942 7.973374 
1 1 1   13    1   29 o  128.958   4.5782  2541.32  180.202  2438.51  219.995  2750.98  314.147  126.276   5.7079  133.788   7.7259 -7.511726 9.605725 
1 1 1   13    1   30 o   96.911   2.8417  1434.02   84.055  1415.07  115.627  1455.26  122.405   96.245   3.9361   97.598   4.1090 -1.352646 5.690053 
1 1 1   13    1   31 o  436.484   7.5617 29182.88  1007.40 29137.11  2061.20 29197.25  1154.71  433.555   15.576  436.338   8.6703 -2.782806 17.82663 
1 1 1   13    1   32 o  197.550   5.2822  5966.64  318.497  5786.78  640.808  6025.65  367.044  193.682   10.884  198.468   6.0591 -4.785690 12.45684 
1 1 1   13    1   33 o  268.251   7.1324 11018.41  583.978 10879.20  626.801 11934.05  1607.51  266.477   7.7064  275.691   19.224 -9.214600 20.71101 
1 1 1   13    1   34 o  238.553   4.7043  8697.59  342.527  8238.16  483.943  9158.78  484.872  231.977   6.8349  244.633   6.4937 -12.65550 9.427854 
1 1 1   13    1   35 o  430.517   5.7641 28350.02  757.417 28087.81  1338.54 28473.52  918.630  427.472   10.259  431.225   6.9794 -3.753937 12.40809 
1 1 1   13    1   36 o   90.884   3.9671  1261.96  110.047  1384.26  167.200  1168.50  146.171   94.951   5.7971   87.235   5.5182 7.715240 8.003514 
1 1 1   13    1   37 o  179.632   5.0759  4933.70  278.298  4755.12  708.002  4966.33  302.660  174.885   13.365  180.195   5.5029 -5.309967 14.45346 
1 1 1   13    1   38 o  202.928   4.6603  6294.98  288.649   0.0000   0.0000  6294.98  288.649  ?   ?   202.928   4.6603 0.000000 4.660271 
1 1 1   13    1   39 o  230.556   11.155  8193.67  784.971  9267.00  1195.42  7380.03  1040.81  243.357   16.186  217.185   15.809 26.17210 22.62575 
1 1 1   13    1   40 o  319.790   6.1845 15657.91  603.648 16839.02  896.425 14677.95  816.531  331.062   8.8713  309.139   8.6537 21.92294 12.39299 
1 1 1   13    1   41 o  445.499   6.6310 30409.80  901.662 33754.82  1470.23 28393.27  1141.54  468.051   10.291  429.858   8.7006 38.19339 13.47641 
1 1 1   13    1   42 o  233.801   4.5057  8358.64  321.531  8696.38  466.411  8052.77  443.854  238.236   6.4142  229.261   6.3430 8.975204 9.020834 
1 1 1   13    1   43 o  115.208   2.9859  2027.49  104.995  2084.91  148.647  1970.33  148.324  116.776   4.1705  113.516   4.2809 3.259727 5.976556 
1 1 1   13    1   44 o  261.513   6.4416 10486.24  514.164 10403.96  590.907 10742.70  1043.30  260.281   7.4381  262.797   13.007 -2.515900 14.98340 
1 1 1   13    1   45 o   96.651   3.7348  1428.09  110.178  1280.51  179.628  1517.10  139.501   91.133   6.5004   99.574   4.5900 -8.440170 7.957583 
1 1 1   13    1   46 o  146.168   3.2359  3265.23  144.367  3174.35  245.955  3313.00  178.316  143.913   5.5994  147.180   3.9694 -3.266510 6.863594 
1 1 1   13    1   47 o  334.659   5.3632 17167.13  547.832 17123.19  683.666 17245.95  915.736  333.817   6.7099  334.110   8.9797 -0.2921448 11.20977 
1 1 1   13    1   48 o   51.717   3.6668  411.168   57.506  425.392   67.860  374.930  108.313   52.542   4.2684   48.778   7.5166 3.763840 8.643964 
1 1 1   13    1   49 o  109.699   3.0829  1839.86  103.223  1907.76  125.500  1697.88  181.484  111.661   3.6824  104.999   5.6840 6.661453 6.772585 
1 1 1   13    1   50 o   66.387   5.4792  681.474  110.032  596.579  126.021  953.794  225.704   61.856   6.7863   77.697   9.7308 -15.84106 11.86347 
1 1 1   13    1   51 o   89.546   6.2349  1240.89  169.346  1216.07  247.012  1262.91  232.617   87.887   9.3519   89.791   8.5927 -1.903694 12.70006 
1 1 1   13    1   52 o  158.551   7.6233  3894.85  368.919  4196.84  636.547  3742.11  452.702  161.836   12.996  154.436   9.6523 7.399750 16.18849 
1 1 1   13    2    0 o  267.716   7.1268 10970.48  581.422 10970.48  581.422 10970.48  581.422  267.716   7.1268  267.716   7.1268 0.000000 0.000000 
1 1 1   13    2    1 o  560.150   9.6951 48018.98  1657.58 50179.98  2255.89 45483.18  2443.70  571.994   12.921  544.167   14.713 27.82690 19.58140 
1 1 1   13    2    2 o  350.509   6.2935 18771.61  673.297 19393.24  918.074 18048.17  990.407  356.095   8.4468  343.432   9.4484 12.66324 12.67361 
1 1 1   13    2    3 o  286.998   7.5128 12591.88  658.105 12513.92  712.388 13045.72  1718.86  286.064   8.1590  290.063   19.528 -3.998749 21.16430 
1 1 1   13    2    4 o  206.555   5.5627  6517.37  350.699  7206.45  717.353  6300.95  402.017  216.911   10.835  203.062   6.4863 13.84946 12.62824 
1 1 1   13    2    5 o  215.554   4.5255  7095.43  297.744  7234.94  423.470  6959.04  418.719  217.593   6.3762  213.402   6.4285 4.191452 9.054314 
1 1 1   13    2    6 o  139.202   4.6733  2959.26  198.556  3639.93  491.794  2826.70  217.031  153.805   10.540  136.036   5.2270 17.76846 11.76451 
1 1 1   13    2    7 o  505.399   14.862 39266.45  2292.55 41644.12  3246.66 36901.89  3237.69  518.777   20.504  487.931   21.740 30.84625 29.88379 
1 1 1   13    2    8 o  249.767   6.2311  9533.08  475.025 10599.49  965.932  9192.90  545.555  262.890   12.038  245.210   7.2893 17.68019 14.07292 
1 1 1   13    2    9 o  468.789   14.066 33772.60  2012.66 34276.30  2325.47 32269.00  4017.81  471.752   16.150  452.189   29.268 19.56357 33.42793 
1 1 1   13    2   10 o  187.649   6.6269  5382.40  379.553  5382.21  492.671  5382.69  595.318  187.542   8.6068  187.140   10.464 0.4015045 13.54907 
1 1 1   13    2   11 o  959.683   14.738 141711.41  4316.90 143379.20  6104.90 140043.41  6105.13  961.424   20.804  949.988   21.055 11.43622 29.59946 
1 1 1   13    2   12 o  349.511   6.9590 18678.22  742.375 18395.34  910.322 19239.89  1282.73  346.680   8.6030  354.084   11.869 -7.404480 14.65889 
1 1 1   13    2   13 o  364.937   6.4410 20359.09  717.447 19569.27  1012.25 21156.36  1017.01  357.464   9.2777  371.720   8.9638 -14.25613 12.90059 
1 1 1   13    2   14 o  378.727   8.5593 21957.32  989.426 21673.67  1145.25 22792.14  1964.73  376.065   9.9774  384.188   16.755 -8.122620 19.50068 
1 1 1   13    2   15 o  432.571   6.7854 28613.53  895.882 29141.80  1459.73 28294.31  1134.73  435.843   10.973  429.883   8.6482 5.959717 13.97130 
1 1 1   13    2   16 o  102.450   3.1428  1602.51   98.276  1638.45  118.364  1522.74  176.329  103.583   3.7438   99.644   5.8230 3.938599 6.922698 
1 1 1   13    2   17 o  380.516   6.9346 22145.86  805.401 22531.61  1139.06 21760.18  1138.96  383.406   9.7335  376.756   9.9045 6.649689 13.88668 
1 1 1   13    2   18 o  273.017   5.6780 11392.71  473.155 11226.10  533.361 12008.27  1025.17  270.953   6.4493  279.556   12.015 -8.602936 13.63614 
1 1 1   13    2   19 o  266.034   5.2999 10815.67  430.350 11116.65  878.354 10720.60  493.663  269.146   10.692  264.802   6.1079 4.343445 12.31374 
1 1 1   13    2   20 o   58.154   3.3775  518.146   59.692  558.382   89.643  486.092   80.010   60.252   4.9173   56.209   4.7069 4.042511 6.807002 
1 1 1   13    2   21 o  430.044   11.846 28428.32  1554.95 28313.99  1735.07 28894.81  3504.76  428.789   13.257  426.366   27.072 2.422974 30.14358 
1 1 1   13    2   22 o  159.574   4.0376  3889.43  196.653  3850.88  262.188  3939.00  297.333  158.726   5.4119  160.500   6.0695 -1.773590 8.131865 
1 1 1   13    2   23 o  246.038   9.5233  9284.29  715.170  8939.63  871.239  9996.29  1252.22  241.103   11.839  253.600   16.263 -12.49733 20.11612 
1 1 1   13    2   24 o  137.266   4.7524  2879.17  199.111  2879.17  199.111   0.0000   0.0000  137.266   4.7524  ?   ?  0.000000 4.752438 
1 1 1   13    2   25 o  208.430   4.4571  6637.56  283.553  6535.60  383.227  6760.91  421.509  206.721   6.0737  210.215   6.5694 -3.494843 8.946908 
1 1 1   13    2   26 o  205.348   4.5550  6443.26  285.494  7020.75  692.447  6324.99  313.368  213.767   10.613  203.426   5.0470 10.34117 11.75173 
1 1 1   13    2   27 o  155.514   3.5025  3693.64  166.253  3672.07  224.269  3719.94  247.711  155.011   4.7401  155.996   5.2025 -0.9850464 7.038091 
1 1 1   13    2   28 o   73.934   3.2895  834.776   74.232  876.117   87.440  728.095  140.464   75.734   3.7827   68.640   6.7938 7.094635 7.775873 
1 1 1   13    2   29 o  186.546   3.2118  5314.26  182.874  5429.74  252.096  5185.99  265.683  188.509   4.3815  184.211   4.7253 4.298065 6.444055 
1 1 1   13    2   30 o  272.155   5.1559 11322.95  428.287 11678.84  632.674 11021.91  581.888  276.135   7.5066  268.306   7.1054 7.828400 10.33614 
1 1 1   13    2   31 o  168.655   4.5559  4346.81  234.525  4924.66  551.928  4219.49  259.078  178.756   10.158  166.138   5.1091 12.61765 11.37035 
1 1 1   13    2   32 o  155.008   3.2402  3669.39  153.301  3858.56  260.162  3568.77  189.740  158.859   5.3656  152.838   4.0673 6.020721 6.732952 
1 1 1   13    2   33 o  313.808   8.1438 15094.27  780.025 15186.15  841.000 14528.66  2086.58  314.655   8.7568  302.653   22.754 12.00223 24.38117 
1 1 1   13    2   34 o  185.682   5.8455  5273.74  331.290  5273.74  331.290   0.0000   0.0000  185.682   5.8455  ?   ?  0.000000 5.845509 
1 1 1   13    2   35 o  221.030   3.7894  7463.06  255.647  7210.72  323.631  7881.83  416.911  217.190   4.8819  226.976   6.0179 -9.785736 7.749116 
1 1 1   13    2   36 o  370.703   8.6744 21084.03  981.477 20904.46  1139.20 21601.21  1933.30  368.766   10.121  372.416   17.008 -3.649292 19.79171 
1 1 1   13    2   37 o  139.577   3.6744  2976.12  156.537  3562.80  539.810  2922.25  163.565  151.578   11.760  138.301   3.8748 13.27713 12.38173 
1 1 1   13    2   38 o  192.811   3.9896  5680.47  234.789  6377.36  366.551  5195.61  305.744  204.149   5.8826  184.302   5.4352 19.84692 8.009126 
1 1 1   13    2   39 o   76.320   5.2521  895.120  121.600  894.986  234.964  895.168  142.112   75.544   10.472   76.223   6.1611 -0.6794205 12.14985 
1 1 1   13    2   40 o   81.281   4.6589  1013.44  115.101  1028.77  166.562  999.422  159.238   81.669   6.7422   80.514   6.5362 1.155190 9.390367 
1 1 1   13    2   41 o  352.048   6.7418 18993.36  724.433 22261.94  2423.35 18672.60  759.147  373.666   21.336  348.978   7.1271 24.68802 22.49525 
1 1 1   13    2   42 o   58.425   7.2140  531.421  125.912  556.679  150.304  471.986  230.565   59.597   8.5040   54.086   13.893 5.511292 16.28921 
1 1 1   13    2   43 o  105.623   4.6489  1706.49  149.874  1781.87  169.383  1434.60  321.672  107.904   5.1430   95.689   11.227 12.21428 12.34895 
1 1 1   13    2   44 o  147.932   3.2275  3343.75  145.729  3358.56  185.499  3319.86  235.530  148.205   4.1007  147.258   5.2402 0.9464874 6.654021 
1 1 1   13    2   45 o  229.208   4.0430  8034.16  282.846  7747.94  465.062  8202.18  356.323  224.669   6.7819  231.460   5.0437 -6.790680 8.451816 
1 1 1   13    2   46 o  133.151   3.0033  2709.08  122.056  2721.99  169.297  2695.12  176.131  133.391   4.1582  132.716   4.3481 0.6749268 6.016328 
1 1 1   13    2   47 o  178.562   3.7368  4876.47  203.660  4964.17  248.467  4696.90  355.525  180.070   4.5207  174.832   6.6624 5.238190 8.051395 
1 1 1   13    2   48 o   90.402   4.5467  1254.85  125.056  1277.33  130.272  990.839  446.387   91.192   4.6963   76.722   19.129 14.46957 19.69661 
1 1 1   13    2   49 o  181.465   3.9442  5040.75  218.461  5277.19  327.701  4851.62  293.088  185.346   5.7927  177.791   5.4010 7.554520 7.919931 
1 1 1   13    2   50 o  108.524   4.6022  1805.72  152.445  2150.29  371.887  1736.13  167.132  116.848   10.541  106.351   5.1488 10.49752 11.73104 
1 1 1   13    2   51 o   66.005   4.6616  671.653   93.310  778.919  380.522  664.790   96.248   67.605   18.087   65.640   4.8382 1.965584 18.72270 
1 1 1   13    2   52 o   60.960   4.3120  572.731   79.713  739.331  226.344  549.142   85.169   67.626   11.369   59.627   4.7183 7.998821 12.30938 
1 1 1   13    3    0 o  186.962   5.6216  5351.88  320.141  5351.88  320.141  5351.88  320.141  186.962   5.6216  186.962   5.6216 0.000000 0.000000 
1 1 1   13    3    1 o  486.558   10.964 36264.49  1628.28 38399.40  3205.71 35522.19  1890.27  498.170   21.083  481.212   12.870 16.95740 24.70054 
1 1 1   13    3    2 o  236.327   3.8545  8527.37  278.034  7398.52  453.788  9205.82  351.799  220.023   6.7572  245.520   4.6945 -25.49751 8.227912 
1 1 1   13    3    3 o  157.104   6.7341  3772.15  322.914  3803.15  459.706  3741.95  453.694  157.339   9.6187  156.068   9.5704 1.270554 13.56883 
1 1 1   13    3    4 o  174.829   4.0377  4667.06  215.460  4681.07  291.279  4650.13  320.180  175.054   5.4516  174.456   6.0130 0.5976257 8.116394 
1 1 1   13    3    5 o  367.816   8.8988 20700.32  999.034 20730.17  1082.95 20529.78  2588.37  367.998   9.6415  362.776   23.502 5.222198 25.40324 
1 1 1   13    3    6 o  148.429   4.9150  3364.92  222.669  3720.39  506.311  3279.69  247.933  155.468   10.736  146.521   5.5439 8.947678 12.08259 
1 1 1   13    3    7 o  227.932   4.4047  7933.97  306.435  7832.44  332.915  8497.09  784.039  226.454   4.8165  235.478   10.909 -9.023209 11.92467 
1 1 1   13    3    8 o  134.976   3.7094  2781.72  152.818  2880.01  203.191  2653.73  231.872  137.316   4.8480  131.789   5.7644 5.527664 7.532038 
1 1 1   13    3    9 f  426.098   7.8058 27770.03  1015.18 27697.34  1062.10 28538.56  3453.66  425.493   8.1782  426.129   26.688 -0.6353455 27.91306 
1 1 1   13    3   10 o  561.071   9.5747 48208.96  1639.69 47587.83  1788.72 51477.29  4103.10  557.245   10.517  574.859   23.385 -17.61383 25.64077 
1 1 1   13    3   11 o  302.482   5.4941 13979.78  507.242 14157.29  690.669 13771.92  747.380  304.246   7.4375  300.011   8.1618 4.235809 11.04228 
1 1 1   13    3   12 o  312.840   6.9810 14965.45  666.587 14815.86  769.043 15417.35  1336.65  311.167   8.0973  316.616   13.831 -5.449188 16.02732 
1 1 1   13    3   13 o  457.985   8.5138 32107.43  1190.13 32436.01  1769.45 31835.99  1608.26  459.492   12.617  455.462   11.569 4.029785 17.11771 
1 1 1   13    3   14 o  165.288   5.2021  4174.24  262.446  4668.42  803.401  4115.21  277.680  173.364   15.341  164.102   5.5439 9.261902 16.31230 
1 1 1   13    3   15 o  197.590   7.8417  5974.49  472.927  5661.78  664.420  6295.62  673.310  191.725   11.405  202.279   10.946 -10.55339 15.80835 
1 1 1   13    3   16 o  276.482   4.3144 11675.88  364.087 11229.71  451.301 12507.57  616.167  271.079   5.4545  285.957   7.0596 -14.87732 8.921290 
1 1 1   13    3   17 o  285.497   4.0977 12448.94  357.075 12038.92  553.550 12741.13  467.297  280.592   6.4634  288.752   5.3021 -8.159546 8.359956 
1 1 1   13    3   18 o  241.839   4.3735  8933.83  322.826  8104.74  429.392 10011.73  489.600  230.243   6.1101  255.889   6.2687 -25.64561 8.753837 
1 1 1   13    3   19 o  211.288   4.8146  6820.81  310.492  6164.79  615.675  7044.56  359.565  200.229   10.107  214.689   5.4872 -14.46054 11.50029 
1 1 1   13    3   20 o  257.355   4.0624 10116.21  319.103  9527.05  492.533 10542.41  418.914  249.588   6.4654  262.648   5.2256 -13.06027 8.313109 
1 1 1   13    3   21 o  159.390   2.7846  3878.69  135.469  3845.21  158.001  3971.61  263.224  158.688   3.2621  161.200   5.3499 -2.511292 6.265992 
1 1 1   13    3   22 o  298.086   7.9920 13607.17  727.136 13270.87  805.533 15086.98  1689.76  294.249   8.9692  311.260   17.861 -17.01175 19.98652 
1 1 1   13    3   23 o   92.442   3.3389  1304.94   94.208  1287.55  122.659  1329.96  147.108   91.803   4.3775   93.138   5.1955 -1.334877 6.793787 
1 1 1   13    3   24 o  131.217   3.1281  2629.12  125.284  2715.73  131.523  1780.77  411.640  133.358   3.2312  106.762   12.893 26.59621 13.29216 
1 1 1   13    3   25 o  194.666   5.1353  5792.16  305.118  5892.00  605.982  5758.25  353.151  195.631   10.184  194.043   5.9627 1.588501 11.80098 
1 1 1   13    3   26 o  421.793   7.2991 27238.44  939.691 25515.81  1461.92 28451.27  1226.67  407.195   11.763  430.642   9.3324 -23.44769 15.01509 
1 1 1   13    3   27 o  243.728   3.5134  9072.52  261.365  8769.24  379.118  9347.23  360.813  239.512   5.1860  247.310   4.7800 -7.798111 7.052834 
1 1 1   13    3   28 o  266.618   4.9809 10865.34  405.333 10181.80  597.502 11448.08  551.690  257.829   7.5926  273.512   6.6085 -15.68298 10.06577 
1 1 1   13    3   29 o  296.255   4.6365 13412.68  419.253 14013.18  708.151 13088.61  520.224  302.454   7.6710  292.538   5.8263 9.916016 9.632704 
1 1 1   13    3   30 o   97.500   3.9704  1452.25  118.158  1690.73  240.859  1376.67  135.595  104.790   7.5818   94.910   4.6807 9.879448 8.910237 
1 1 1   13    3   31 o  297.865   5.4020 13566.01  491.125 13378.78  722.934 13726.48  669.275  295.466   8.0163  299.384   7.3242 -3.917938 10.85840 
1 1 1   13    3   32 o  239.482   4.1027  8762.21  299.886  8867.29  504.910  8704.93  372.755  240.675   6.8733  238.625   5.1179 2.049301 8.569437 
1 1 1   13    3   33 o  281.927   7.1601 12171.24  616.128 12323.02  668.998 11323.22  1581.30  283.600   7.7286  268.401   19.434 15.19937 20.91445 
1 1 1   13    3   34 o  122.437   5.1461  2291.85  192.312  2321.25  218.416  2190.45  405.657  123.189   5.8089  118.765   11.328 4.424210 12.73049 
1 1 1   13    3   35 o  183.028   4.0746  5118.25  227.622  5017.14  327.265  5212.99  316.802  181.095   5.9207  184.618   5.6221 -3.522858 8.164734 
1 1 1   13    3   36 o  204.906   3.5359  6413.37  221.142  6758.47  279.112  5831.40  362.453  210.298   4.3484  195.216   6.0830 15.08203 7.477394 
1 1 1   13    3   37 o  369.794   8.1896 20974.04  924.359 22362.29  1835.32 20502.20  1069.97  379.243   15.855  365.271   9.5971 13.97177 18.53375 
1 1 1   13    3   38 o   52.137   3.3629  416.935   53.230  486.270  122.711  400.864   59.078   55.850   7.3793   51.080   3.8168 4.769611 8.307976 
1 1 1   13    3   39 o  104.365   4.6273  1665.19  147.400  1812.31  300.084  1618.40  169.221  108.218   9.1713  102.713   5.4169 5.505913 10.65153 
1 1 1   13    3   40 o  159.755   2.9529  3897.90  143.987  4234.37  267.449  3760.57  170.862  166.369   5.2668  156.889   3.5681 9.480759 6.361689 
1 1 1   13    3   41 o  201.815   4.2077  6226.07  259.186  6843.26  751.945  6142.85  276.106  210.083   11.774  200.437   4.5132 9.645523 12.60955 
1 1 1   13    3   42 o  387.302   6.6272 22992.92  783.422 24428.90  1069.74 21331.90  1150.52  398.548   8.7939  371.960   10.134 26.58813 13.41751 
1 1 1   13    3   43 o  182.374   18.340  5307.09  1007.03   0.0000   0.0000  5307.09  1007.03  ?   ?   182.374   18.340 0.000000 18.33959 
1 1 1   13    3   44 o  122.097   6.3366  2291.89  235.333   0.0000   0.0000  2291.89  235.333  ?   ?   122.097   6.3366 0.000000 6.336605 
1 1 1   13    3   45 o   91.470   5.9440  1288.04  165.049  1182.76  340.810  1320.29  188.647   86.095   13.406   92.502   6.7277 -6.407356 14.99907 
1 1 1   13    3   46 o  152.488   2.5533  3551.94  118.838  4108.85  186.912  3174.06  153.964  163.921   3.7358  144.090   3.5008 19.83087 5.119770 
1 1 1   13    3   47 o  119.762   3.2107  2192.50  117.365  2535.66  405.480  2161.12  122.614  127.369   10.524  118.892   3.3789 8.477417 11.05345 
1 1 1   13    3   48 o   29.088   4.6487  132.835   39.883  127.749   71.104  135.170   48.176   28.367   7.9130   29.195   5.6103 -0.8277798 9.700047 
1 1 1   13    3   49 f  102.341   2.9391  1601.19   91.808  1553.29  179.971  1618.03  106.741  100.366   5.9008  102.848   3.4003 -2.482353 6.810436 
1 1 1   13    3   50 o  114.728   3.0908  2013.04  108.234  2018.88  200.718  2010.65  128.520  114.450   5.7643  114.609   3.6740 -0.1589584 6.835588 
1 1 1   13    3   51 o   41.632   5.7086  271.482   70.628  328.017  387.460  269.539   71.832   49.586   18.727   41.455   5.8388 8.130360 19.61607 
1 1 1   13    3   52 o   98.603   3.5156  1488.72  105.805  1691.99  159.987  1330.71  141.057  104.942   4.9948   92.936   4.9910 12.00642 7.061015 
1 1 1   13    4    0 f  258.892   7.7426 10267.55  610.580 10267.55  610.580 10267.55  610.580  258.892   7.7426  258.892   7.7426 0.000000 0.000000 
1 1 1   13    4    1 o  357.959   15.624 19713.09  1707.05 20651.92  2415.75 18776.77  2412.52  364.375   21.822  347.042   22.904 17.33249 31.63545 
1 1 1   13    4    2 o  186.041   5.1737  5286.81  293.782  6055.21  596.794  5041.05  337.508  198.871   9.8319  181.635   6.0879 17.23662 11.56408 
1 1 1   13    4    3 o  251.550   3.9572  9661.97  303.831  9563.16  486.992  9724.95  388.775  250.155   6.3782  252.327   5.0480 -2.171631 8.134062 
1 1 1   13    4    4 o  155.921   3.8389  3712.04  182.695  3610.09  198.827  4264.91  463.018  153.756   4.2367  166.685   9.1357 -12.92860 10.07029 
1 1 1   13    4    5 o  227.124   5.8862  7882.00  408.053  7585.43  471.420  8768.08  814.859  222.758   6.9336  239.176   11.162 -16.41797 13.14035 
1 1 1   13    4    6 o  213.648   5.1383  6972.54  335.068  6808.90  378.627  7563.50  719.528  211.095   5.8765  222.178   10.610 -11.08228 12.12900 
1 1 1   13    4    7 o  298.292   5.4346 13593.72  494.799 14300.04  675.228 12774.58  727.158  305.817   7.2339  288.963   8.2446 16.85370 10.96826 
1 1 1   13    4    8 o  173.459   4.9412  4596.00  261.608  4596.00  261.608   0.0000   0.0000  173.459   4.9412  ?   ?  0.000000 4.941236 
1 1 1   13    4    9 o  322.158   7.8082 15876.10  767.779 15876.10  767.779   0.0000   0.0000  322.158   7.8082  ?   ?  0.000000 7.808176 
1 1 1   13    4   10 o  241.888   4.9733  8938.05  367.178  8938.05  367.178   0.0000   0.0000  241.888   4.9733  ?   ?  0.000000 4.973311 
1 1 1   13    4   11 f  368.157   5.9892 20715.19  673.008 20629.49  825.476 20885.11  1162.28  367.257   7.3641  369.132   10.316 -1.875488 12.67473 
1 1 1   13    4   12 o  300.684   5.0460 13812.48  463.103 13130.66  804.727 14150.09  566.268  292.827   9.0037  304.261   6.0976 -11.43475 10.87415 
1 1 1   13    4   13 o  143.082   3.8429  3126.33  167.827  3149.83  246.057  3105.89  229.493  143.567   5.6152  142.573   5.2737 0.9933624 7.703394 
1 1 1   13    4   14 o  255.052   4.0489  9934.86  315.200 10069.78  513.712  9853.40  399.170  256.627   6.5584  253.947   5.1499 2.679321 8.338727 
1 1 1   13    4   15 o  285.870   4.7217 12484.32  411.989 12287.54  673.096 12602.21  520.980  283.362   7.7825  287.132   5.9446 -3.769806 9.793137 
1 1 1   13    4   16 o  386.100   5.1606 22778.55  608.161 21833.71  943.232 23450.81  795.623  377.652   8.1829  391.595   6.6566 -13.94205 10.54851 
1 1 1   13    4   17 o  417.413   10.100 26720.10  1286.73 25983.40  1530.35 28497.38  2376.98  411.161   12.194  428.746   18.164 -17.58566 21.87764 
1 1 1   13    4   18 o  104.402   11.996  1696.77  375.316  1615.58  473.467  1834.05  615.659  101.092   15.867  107.032   19.567 -5.939995 25.19155 
1 1 1   13    4   19 o  278.441   5.8307 11852.23  495.527 11603.32  696.892 12106.77  704.735  275.259   8.2948  281.177   8.2116 -5.917847 11.67196 
1 1 1   13    4   20 o  320.069   5.6046 15659.72  547.523 14355.42  805.945 16777.63  746.138  306.108   8.6261  331.098   7.3832 -24.98981 11.35436 
1 1 1   13    4   21 o  124.777   4.5817  2378.72  174.491  2330.64  197.292  2551.43  373.907  123.488   5.2344  128.631   9.5926 -5.142952 10.92779 
1 1 1   13    4   22 o  283.328   8.3783 12298.25  724.536 12298.25  724.536   0.0000   0.0000  283.328   8.3783  ?   ?  0.000000 8.378262 
1 1 1   13    4   23 o  195.193   4.4221  5821.02  263.460  5525.02  359.792  6163.21  386.855  190.064   6.2020  200.733   6.3141 -10.66917 8.850603 
1 1 1   13    4   24 o  447.293   13.782 30871.63  1881.60 31697.36  2658.91 30043.33  2663.05  450.856   19.322  438.656   19.890 12.19992 27.73004 
1 1 1   13    4   25 o   16.892   7.2057  -1.8802   65.533 -85.1191   92.621   81.566   92.736   16.412   7.6341   25.476   9.2436 -9.063566 11.98847 
1 1 1   13    4   26 o  124.106   3.5122  2352.34  133.040  2365.03  208.503  2343.62  172.785  124.372   5.4925  123.843   4.5711 0.5291138 7.145794 
1 1 1   13    4   27 o  223.314   3.6483  7616.97  248.674  8033.55  420.923  7393.62  308.210  229.176   6.0175  219.962   4.5907 9.213120 7.568702 
1 1 1   13    4   28 o   37.857   6.0334  224.643   67.374  239.888   79.567  186.019  126.651   39.009   6.9369   34.861   10.794 4.147827 12.83121 
1 1 1   13    4   29 o   44.646   3.9910  306.935   53.812  310.399   89.048  304.942   67.539   44.533   6.7641   44.376   5.0779 0.1569290 8.457971 
1 1 1   13    4   30 o  208.065   3.7619  6612.77  238.901  6608.07  384.094  6615.73  305.099  207.839   6.0547  208.051   4.8046 -0.2122650 7.729400 
1 1 1   13    4   31 o  137.150   4.5331  2874.50  189.760  2856.53  219.809  2927.06  375.990  136.689   5.2686  137.839   8.9861 -1.150452 10.41669 
1 1 1   13    4   32 o  164.527   3.7727  4134.96  189.457  4394.19  290.784  3943.75  249.741  169.509   5.6203  160.616   5.0943 8.893005 7.585473 
1 1 1   13    4   33 o  178.288   5.6671  4861.43  308.391  4879.16  342.454  4785.38  709.285  178.569   6.2832  175.546   13.337 3.022293 14.74331 
1 1 1   13    4   34 o  267.425   5.2868 10935.06  431.529 10942.22  452.174 10862.01  1444.62  267.487   5.5384  263.272   18.087 4.215881 18.91636 
1 1 1   13    4   35 o  363.871   7.8646 20294.24  873.459 20391.26  995.418 19969.49  1821.17  364.507   8.9471  358.248   16.655 6.259369 18.90622 
1 1 1   13    4   36 o  118.473   2.6177  2143.12   94.658  2255.56  142.605  2054.56  126.559  121.506   3.8452  115.975   3.5753 5.531525 5.250569 
1 1 1   13    4   37 o  519.572   15.590 41962.19  2472.37 45361.05  3495.92 38561.23  3497.00  535.932   21.371  492.606   23.258 43.32614 31.58621 
1 1 1   13    4   38 o  247.453   4.2931  9358.64  324.252 10176.62  532.212  8875.78  408.906  257.759   6.7648  240.864   5.5620 16.89464 8.757771 
1 1 1   13    4   39 o   95.130   2.7898  1382.01   81.006  1615.19  120.087  1187.31  109.731  102.813   3.8267   88.142   4.0788 14.67151 5.592883 
1 1 1   13    4   40 o  225.579   3.1769  7772.82  218.739  8145.33  339.633  7508.78  285.938  230.785   4.8215  221.637   4.2268 9.147690 6.411940 
1 1 1   13    4   41 o  391.912   6.1672 23525.84  737.724 24314.19  917.588 22084.77  1240.59  398.064   7.5523  378.324   10.744 19.73981 13.13244 
1 1 1   13    4   42 o   76.942   4.5469  908.531  106.307  921.986  111.114  763.066  365.354   77.495   4.7202   68.359   17.451 9.135605 18.07793 
1 1 1   13    4   43 o  105.247   3.4166  1692.66  109.754  1732.01  186.562  1671.82  135.726  106.179   5.7784  104.560   4.2529 1.619576 7.174693 
1 1 1   13    4   44 o  209.152   7.0639  6716.27  450.947   0.0000   0.0000  6716.27  450.947  ?   ?   209.152   7.0639 0.000000 7.063947 
1 1 1   13    4   45 o   96.165   4.6150  1415.31  135.457  1276.84  187.976  1564.87  195.368   90.937   6.8222  100.790   6.3836 -9.853287 9.343086 
1 1 1   13    4   46 o   58.120   5.7979  523.139  101.479  477.418  152.969  559.077  135.618   54.814   9.4865   59.804   7.6014 -4.989719 12.15629 
1 1 1   13    4   47 o  354.442   5.4792 19267.43  592.755 20296.41  1002.86 18714.92  734.860  362.232   9.0706  348.818   6.9022 13.41348 11.39807 
1 1 1   13    4   48 o   55.704   4.6778  478.779   78.797  497.927  131.731  468.111   98.327   56.268   7.8869   54.885   5.9655 1.382591 9.888955 
1 1 1   13    4   49 o   97.717   4.7943  1464.18  142.993  1527.81  167.850  1295.79  273.049   99.586   5.5441   90.684   10.033 8.902496 11.46289 
1 1 1   13    4   50 o  151.340   5.5445  3520.15  256.113   0.0000   0.0000  3520.15  256.113  ?   ?   151.340   5.5445 0.000000 5.544489 
1 1 1   13    4   51 o  105.339   4.6920  1702.87  150.856  1856.99  495.204  1687.11  158.384  106.083   15.774  104.817   4.9506 1.266068 16.53270 
1 1 1   13    4   52 f   75.188   4.5939  870.948  104.918  788.219  399.333  877.082  108.739   67.518   18.724   75.429   4.7473 -7.911514 19.31623 
1 1 1   13    5    0 o   78.681   3.1837  949.598   76.173  949.598   76.173  949.598   76.173   78.681   3.1837   78.681   3.1837 0.000000 0.000000 
1 1 1   13    5    1 o  388.246   7.0489 23044.68  835.307 22882.59  1183.58 23205.53  1179.03  386.528   10.032  389.261   9.9236 -2.732971 14.11115 
1 1 1   13    5    2 o  185.505   3.9647  5254.62  224.484  5227.23  317.685  5281.94  317.253  184.968   5.6271  185.934   5.5902 -0.9667816 7.931887 
1 1 1   13    5    3 o  402.832   6.1645 24798.91  757.941 24797.51  961.753 24801.22  1231.29  402.651   7.8256  402.396   10.025 0.2554626 12.71780 
1 1 1   13    5    4 o  217.053   3.8627  7193.75  255.899  7211.82  326.665  7165.05  411.706  217.288   4.9255  216.524   6.2296 0.7633972 7.941607 
1 1 1   13    5    5 o   95.937   4.6503  1405.75  136.171  1422.33  148.657  1319.32  339.446   96.360   5.0723   91.895   12.420 4.465233 13.41617 
1 1 1   13    5    6 o  211.663   3.9332  6841.19  254.102  6804.10  556.570  6850.95  285.604  210.851   8.6482  211.798   4.4180 -0.9465332 9.711370 
1 1 1   13    5    7 o  460.020   10.355 32429.72  1453.95 31962.90  1558.15 35574.07  4043.89  456.540   11.182  474.871   28.024 -18.33127 30.17281 
1 1 1   13    5    8 o  370.016   9.2598 20965.53  1045.78 20965.53  1045.78   0.0000   0.0000  370.016   9.2598  ?   ?  0.000000 9.259811 
1 1 1   13    5    9 o  299.721   7.5936 13741.72  694.674 13741.72  694.674   0.0000   0.0000  299.721   7.5936  ?   ?  0.000000 7.593580 
1 1 1   13    5   10 o  211.999   11.439  6916.10  737.454  6916.10  737.454   0.0000   0.0000  211.999   11.439  ?   ?  0.000000 11.43919 
1 1 1   13    5   11 o  396.678   7.5165 24072.05  910.064 23479.92  1232.51 24781.90  1349.48  391.352   10.318  401.931   11.000 -10.57959 15.08207 
1 1 1   13    5   12 o  427.141   8.0379 27922.72  1047.93 26638.18  1418.49 29466.16  1554.88  416.655   11.154  438.111   11.628 -21.45581 16.11264 
1 1 1   13    5   13 f  341.759   8.9058 17888.37  928.992 17960.80  2307.41 17874.36  1014.88  338.557   22.457  341.508   9.7364 -2.950073 24.47656 
1 1 1   13    5   14 o  150.255   4.0667  3448.03  186.505  3511.68  282.039  3398.58  248.626  151.563   6.0967  149.128   5.4623 2.435715 8.185746 
1 1 1   13    5   15 o  196.869   4.4034  5920.19  264.598  5813.69  286.811  6528.97  685.699  195.072   4.8171  205.972   10.946 -10.89943 11.95942 
1 1 1   13    5   16 o  245.204   6.4477  9194.11  482.554 10425.19  1282.17  8990.96  520.850  259.222   16.288  242.433   7.0389 16.78902 17.74397 
1 1 1   13    5   17 o  230.265   5.1734  8102.44  363.595  8725.55  510.311  7459.97  518.181  238.824   7.0007  220.771   7.6899 18.05313 10.39927 
1 1 1   13    5   18 o  199.972   4.3661  6108.66  266.491  5894.29  908.047  6128.86  278.767  194.772   15.400  200.294   4.5599 -5.521454 16.06091 
1 1 1   13    5   19 o  176.912   4.0071  4780.41  216.376  4595.19  306.839  4963.62  305.172  173.372   5.7985  180.201   5.5484 -6.829559 8.025438 
1 1 1   13    5   20 o   16.858   7.0722   5.7377   61.393  -1.1075   63.699   95.191  230.270   16.704   7.1142   35.318   14.120 -18.61432 15.81057 
1 1 1   13    5   21 o  239.109   11.234  8785.88  819.893  9316.16  1190.71  8307.77  1130.63  244.848   16.021  231.131   16.128 13.71660 22.73288 
1 1 1   13    5   22 o   39.357   7.1891  244.481   83.178  208.257   95.729  356.092  168.035   36.145   8.7672   47.200   11.718 -11.05464 14.63481 
1 1 1   13    5   23 o  179.029   4.0324  4896.03  220.348  5047.73  311.004  4743.12  312.238  181.701   5.6078  176.122   5.8084 5.579498 8.073697 
1 1 1   13    5   24 o   82.612   2.6980  1041.97   68.031  1133.08   94.718  944.891   97.775   86.133   3.6028   78.540   4.0928 7.592735 5.452682 
1 1 1   13    5   25 o  164.582   5.1427  4140.50  258.341  4187.28  295.394  3988.34  532.760  165.470   5.8488  160.711   10.926 4.758759 12.39285 
1 1 1   13    5   26 o  125.367   2.7635  2399.74  105.747  2791.70  188.577  2219.95  127.717  135.163   4.5710  120.563   3.4707 14.59978 5.739345 
1 1 1   13    5   27 o  390.882   8.3595 23420.70  997.340 24300.07  2101.04 23164.92  1133.14  395.248   17.416  388.478   9.5565 6.769836 19.86562 
1 1 1   13    5   28 o  207.307   3.8005  6564.74  240.474  6969.58  407.055  6347.69  298.043  213.435   6.2484  203.795   4.7915 9.639618 7.874073 
1 1 1   13    5   29 o  212.300   5.4953  6891.94  356.088  6861.73  446.619  6944.65  589.953  211.714   6.9115  212.749   9.0852 -1.035370 11.41528 
1 1 1   13    5   30 o  236.987   6.4578  8594.54  467.115  8347.55  556.623  9182.70  858.935  233.410   7.8131  244.236   11.522 -10.82674 13.92137 
1 1 1   13    5   31 o  488.472   8.7382 36597.21  1302.80 36250.39  1939.60 36882.32  1758.56  484.635   13.112  489.373   11.773 -4.737762 17.62229 
1 1 1   13    5   32 o  171.833   4.3486  4511.76  228.070  4384.97  346.217  4608.96  303.137  169.255   6.7018  173.594   5.7212 -4.339249 8.811710 
1 1 1   13    5   33 o  169.972   3.5070  4412.69  181.938  4282.87  228.201  4639.17  301.413  167.410   4.4660  174.162   5.6701 -6.752335 7.217706 
1 1 1   13    5   34 o  437.578   8.0122 29351.93  1070.10 29419.39  1120.59 28653.51  3605.82  437.989   8.3824  420.990   28.225 16.99857 29.44354 
1 1 1   13    5   35 f  221.496   4.4277  7497.77  299.336  7499.19  433.893  7496.48  413.494  221.345   6.4224  221.335   6.1207 0.9872437E-02 8.871867 
1 1 1   13    5   36 o  146.937   3.2618  3297.59  146.289  3253.87  192.213  3357.79  225.524  145.916   4.3158  148.194   4.9859 -2.277313 6.594366 
1 1 1   13    5   37 o  198.422   4.2271  6016.93  256.005  6242.72  362.454  5792.15  361.639  201.979   5.8793  194.535   6.0906 7.444656 8.465362 
1 1 1   13    5   38 o  190.603   4.3226  5552.81  251.470  5655.79  350.151  5443.11  361.380  192.228   5.9679  188.550   6.2794 3.678421 8.662975 
1 1 1   13    5   39 o  240.253   3.7609  8819.83  275.786  9204.19  390.847  8438.70  389.200  245.293   5.2204  234.848   5.4296 10.44432 7.532155 
1 1 1   13    5   40 o  138.829   3.2098  2944.17  136.011  2739.51  216.766  3077.07  174.675  133.807   5.3076  141.889   4.0333 -8.082367 6.666209 
1 1 1   13    5   41 o  155.937   3.1560  3714.63  150.211  3816.82  194.225  3562.54  236.951  158.019   4.0270  152.592   5.0876 5.427338 6.488449 
1 1 1   13    5   42 o  161.503   3.3348  3985.31  164.388  4017.32  282.488  3968.93  202.139  161.965   5.7143  161.121   4.1104 0.8436737 7.039057 
1 1 1   13    5   43 o   67.687   4.0013  702.929   82.299  646.897  145.116  729.495   99.922   64.468   7.5159   68.883   4.7823 -4.414291 8.908377 
1 1 1   13    5   44 o  165.754   4.0653  4201.64  205.671  4375.00  281.378  4002.75  301.378  168.998   5.4549  161.572   6.1112 7.426559 8.191670 
1 1 1   13    5   45 o  125.426   3.0685  2403.98  117.470  2609.73  153.921  2116.96  181.791  130.634   3.8603  117.568   5.0660 13.06538 6.369176 
1 1 1   13    5   46 o  245.078   6.5596  9227.15  490.678  9414.46  1403.47  9201.06  523.729  240.950   19.244  244.615   7.0146 -3.665436 20.48276 
1 1 1   13    5   47 o   58.165   8.4955  533.303  146.373  533.303  146.373   0.0000   0.0000   58.165   8.4955  ?   ?  0.000000 8.495471 
1 1 1   13    5   48 o   86.842   13.006  1212.02  334.142  1212.02  334.142   0.0000   0.0000   86.842   13.006  ?   ?  0.000000 13.00643 
1 1 1   13    5   49 o   67.365   4.3431  698.236   88.825  694.873  145.696  700.226  112.059   66.715   7.2727   67.296   5.5037 -0.5811615 9.120494 
1 1 1   13    5   50 o   36.276   10.494  210.748  122.799  175.776  331.456  216.312  132.207   42.451   16.951   36.837   10.953 5.614304 20.18192 
1 1 1   13    5   51 o  113.299   12.881  2066.59  437.533   0.0000   0.0000  2066.59  437.533  ?   ?   113.299   12.881 0.000000 12.88128 
1 1 1   13    6    0 o   93.495   4.4966  1343.83  127.642  1343.83  127.642  1343.83  127.642   93.495   4.4966   93.495   4.4966 0.000000 0.000000 
1 1 1   13    6    1 o  287.659   6.0676 12646.14  532.737 15804.52  1145.75 11774.97  601.740  320.962   11.696  277.500   7.1044 43.46152 13.68421 
1 1 1   13    6    2 o  400.190   6.7140 24483.81  820.092 23766.53  1160.50 25199.32  1159.07  393.918   9.6521  405.662   9.3611 -11.74353 13.44598 
1 1 1   13    6    3 o   69.364   3.8128  736.898   80.411  756.230   88.891  649.826  188.649   70.247   4.1644   64.389   9.9174 5.857880 10.75624 
1 1 1   13    6    4 o  282.642   4.5293 12201.49  390.734 11507.20  659.632 12576.79  484.975  274.257   7.8800  286.898   5.5383 -12.64102 9.631562 
1 1 1   13    6    5 o   64.609   3.0990  637.289   61.113  629.440   88.462  644.456   84.526   64.034   4.5559   64.817   4.2969 -0.7835083 6.262538 
1 1 1   13    6    6 o   12.003   5.1969  -5.3002   35.058   7.3418   54.359 -14.3037   45.874   16.039   6.6858   13.213   5.8271 2.825888 8.868753 
1 1 1   13    6    7 o  111.256   2.8139  1889.61   95.553  1897.52  124.546  1878.30  148.975  111.475   3.6605  110.896   4.4013 0.5795593 5.724552 
1 1 1   13    6    8 o  259.362   7.2514 10288.73  574.042 10288.73  574.042   0.0000   0.0000  259.362   7.2514  ?   ?  0.000000 7.251390 
1 1 1   13    6    9 f  202.442   4.6556  6260.29  287.671  6260.29  287.671   0.0000   0.0000  202.442   4.6556  ?   ?  0.000000 4.655632 
1 1 1   13    6   10 o  378.897   7.6200 21965.32  881.244 21965.32  881.244   0.0000   0.0000  378.897   7.6200  ?   ?  0.000000 7.620042 
1 1 1   13    6   11 o  560.690   10.328 48206.30  1767.48 49218.38  2390.11 46984.91  2625.66  565.472   13.848  551.865   15.588 13.60699 20.85070 
1 1 1   13    6   12 o   77.005   3.0394  905.337   71.437  870.445   95.326  950.031  107.889   75.378   4.1594   78.734   4.5082 -3.356308 6.133911 
1 1 1   13    6   13 o  274.347   5.6636 11503.67  474.256 12000.16  678.408 11029.12  663.247  280.003   7.9380  268.419   8.0955 11.58347 11.33796 
1 1 1   13    6   14 o  197.289   6.3633  5951.56  383.179   0.0000   0.0000  5951.56  383.179  ?   ?   197.289   6.3633 0.000000 6.363292 
1 1 1   13    6   15 o  299.763   6.1747 13738.91  564.954 13448.49  799.979 14027.86  797.957  296.289   8.8460  302.630   8.6387 -6.341583 12.36443 
1 1 1   13    6   16 o  274.792   7.3783 11555.15  618.842 11301.38  1516.02 11605.88  677.892  269.212   18.563  275.322   8.0668 -6.110046 20.24037 
1 1 1   13    6   17 o  249.599   4.9874  9519.79  379.954  8633.32  511.212 10613.84  567.923  237.543   7.0508  263.383   7.0645 -25.83998 9.981094 
1 1 1   13    6   18 o  131.889   3.5522  2656.41  142.995  2589.63  204.540  2720.24  199.987  130.174   5.1480  133.424   4.9108 -3.250702 7.114591 
1 1 1   13    6   19 o  267.925   10.561 11020.87  863.676 11365.10  1484.14 10844.60  1062.03  269.940   18.118  265.345   13.113 4.595428 22.36572 
1 1 1   13    6   20 o  236.273   6.5573  8539.77  472.885  8629.86  519.625  8105.54  1140.86  237.461   7.1694  228.183   16.492 9.277420 17.98262 
1 1 1   13    6   21 o   48.991   4.6601  370.044   68.843  397.265   74.193  201.454  184.640   50.756   4.8481   37.991   13.112 12.76527 13.97941 
1 1 1   13    6   22 o  135.753   4.8079  2816.27  199.214  2723.42  226.431  3134.33  419.093  133.467   5.5584  142.597   9.6864 -9.130615 11.16793 
1 1 1   13    6   23 o  153.498   3.1002  3597.84  145.247  3524.17  247.328  3636.62  179.451  151.833   5.3369  154.300   3.8103 -2.467697 6.557535 
1 1 1   13    6   24 o  212.193   3.8416  6877.67  248.808  7123.60  408.781  6732.95  313.584  215.797   6.2062  209.890   4.8949 5.907196 7.904287 
1 1 1   13    6   25 o  336.266   6.5474 17302.78  672.003 16557.25  996.837 17923.84  909.824  328.369   9.9459  341.895   8.7186 -13.52618 13.22633 
1 1 1   13    6   26 o  260.926   6.7645 10420.35  538.729  9533.49  1426.08 10567.98  581.844  246.406   19.111  262.710   7.2562 -16.30479 20.44237 
1 1 1   13    6   27 o  450.589   7.8908 31109.13  1085.23 30225.12  1243.64 33931.08  2222.00  443.827   9.1805  467.888   15.559 -24.06104 18.06567 
1 1 1   13    6   28 o  214.415   4.7095  7026.25  308.211  7173.63  463.286  6909.22  412.818  216.462   7.0121  212.495   6.3649 3.966980 9.470066 
1 1 1   13    6   29 o  420.620   7.7282 27106.09  992.169 26893.82  1477.81 27280.28  1338.75  417.952   11.584  421.299   10.411 -3.346466 15.57524 
1 1 1   13    6   30 o  385.050   6.9484 22698.81  816.614 22258.94  1217.07 23058.98  1101.32  380.531   10.479  387.603   9.3091 -7.072418 14.01655 
1 1 1   13    6   31 o  199.347   4.6325  6073.36  281.866  5881.16  425.304  6223.91  376.400  195.978   7.1101  201.696   6.1141 -5.718109 9.377421 
1 1 1   13    6   32 o   67.477   4.0289  698.110   82.599  658.474  104.221  765.057  135.447   65.415   5.2645   70.421   6.3706 -5.006279 8.264310 
1 1 1   13    6   33 o  102.424   4.5293  1603.29  141.596  1735.80  186.336  1422.21  217.827  106.371   5.7607   96.061   7.4884 10.31020 9.447872 
1 1 1   13    6   34 o  293.427   6.1311 13174.96  549.103 13174.96  549.103   0.0000   0.0000  293.427   6.1311  ?   ?  0.000000 6.131086 
1 1 1   13    6   35 o  102.340   4.0033  1600.28  125.048  1493.40  188.860  1683.72  166.865   98.577   6.3100  104.932   5.2101 -6.354149 8.182981 
1 1 1   13    6   36 o   73.573   4.0886  829.695   91.452  677.004  179.670  883.088  106.245   65.764   9.2030   75.868   4.6100 -10.10344 10.29305 
1 1 1   13    6   37 o  106.656   5.6742  1745.45  184.054  1848.31  206.417  1346.41  406.560  109.708   6.1897   91.972   15.000 17.73593 16.22676 
1 1 1   13    6   38 o  195.227   3.7479  5823.56  223.329  6364.54  372.720  5520.54  278.949  203.905   5.9888  190.007   4.8099 13.89764 7.681194 
1 1 1   13    6   39 o  328.502   4.7748 16502.80  478.748 17605.64  661.488 15289.70  693.768  339.026   6.3925  315.786   7.1979 23.23996 9.626731 
1 1 1   13    6   40 o  131.776   2.9567  2652.32  118.922  3102.50  210.769  2442.06  144.040  142.420   4.8486  126.414   3.7331 16.00665 6.119268 
1 1 1   13    6   41 o  229.771   3.4210  8066.83  239.920  8746.69  343.249  7417.38  335.481  239.130   4.7028  220.178   4.9920 18.95151 6.858342 
1 1 1   13    6   42 o  242.723   5.0561  9016.64  374.580  9444.60  525.392  8574.24  534.188  248.106   6.9379  236.310   7.4062 11.79614 10.14822 
1 1 1   13    6   43 o   30.480   9.6702  140.978  101.015  169.631  126.655   90.892  167.452   33.574   10.847   31.060   12.158 2.514832 16.29347 
1 1 1   13    6   44 o  141.955   3.7097  3080.93  160.733  3245.52  231.269  2927.14  223.549  145.570   5.2051  138.236   5.2983 7.333145 7.427289 
1 1 1   13    6   45 o  150.581   4.4936  3470.61  206.527  3888.44  429.980  3345.31  235.467  158.458   8.9267  147.761   5.2210 10.69725 10.34138 
1 1 1   13    6   46 o   40.120   8.3191  257.418   98.529  312.692  120.588  146.402  170.898   44.157   9.2437   34.028   12.517 10.12918 15.56066 
1 1 1   13    6   47 o  118.540   4.5375  2152.53  164.171  2086.12  687.114  2156.55  169.068  111.042   21.044  118.637   4.6690 -7.594994 21.55526 
1 1 1   13    6   48 o  190.584   4.7738  5569.06  277.694  5620.13  425.039  5531.01  366.802  190.866   7.2960  189.597   6.3385 1.268753 9.664753 
1 1 1   13    6   49 o   45.667   4.5679  322.924   62.816  226.588  545.513  324.219   63.237   51.866   21.360   45.756   4.5898 6.109314 21.84769 
1 1 1   13    6   50 o  180.328   6.0687  5008.33  334.022   0.0000   0.0000  5008.33  334.022  ?   ?   180.328   6.0687 0.000000 6.068691 
1 1 1   13    6   51 o   96.451   4.7426  1428.43  139.617   0.0000   0.0000  1428.43  139.617  ?   ?    96.451   4.7426 0.000000 4.742555 
1 1 1   13    7    0 o   72.451   2.9830  805.308   65.711  805.308   65.711  805.308   65.711   72.451   2.9830   72.451   2.9830 0.000000 0.000000 
1 1 1   13    7    1 o  347.029   7.5723 18422.92  802.066 20503.43  1696.95 17824.43  910.146  364.772   15.242  341.210   8.7392 23.56140 17.56932 
1 1 1   13    7    2 o  216.874   5.0385  7185.66  333.524  7799.06  601.459  6913.28  400.789  225.701   8.7308  212.668   6.1744 13.03366 10.69349 
1 1 1   13    7    3 o  229.041   9.0444  8033.60  632.277  7658.35  1103.19  8217.16  771.577  222.174   16.384  231.460   10.922 -9.286102 19.69037 
1 1 1   13    7    4 o  514.738   7.8727 40541.86  1236.88 41457.07  1568.84 39038.57  2010.66  520.122   9.8823  503.941   13.072 16.18057 16.38711 
1 1 1   13    7    5 o  128.702   2.7977  2528.76  109.900  2679.30  142.728  2309.51  172.245  132.465   3.5301  122.962   4.5894 9.503304 5.790073 
1 1 1   13    7    6 o  101.259   4.4440  1566.15  137.351  1560.50  148.019  1601.15  368.460  101.070   4.7982  101.393   12.148 -0.3231964 13.06116 
1 1 1   13    7    7 o  466.958   15.941 33650.23  2272.04 34347.14  2792.47 32285.27  3908.02  470.497   19.445  451.109   28.530 19.38766 34.52645 
1 1 1   13    7    8 o  481.761   12.163 35654.78  1788.47 35654.78  1788.47   0.0000   0.0000  481.761   12.163  ?   ?  0.000000 12.16276 
1 1 1   13    7    9 o   40.123   15.315  171.490  260.853  171.490  260.853   0.0000   0.0000   40.123   15.315  ?   ?  0.000000 15.31455 
1 1 1   13    7   10 f  178.180   5.1253  4851.01  278.737  4851.01  278.737   0.0000   0.0000  178.180   5.1253  ?   ?  0.000000 5.125289 
1 1 1   13    7   11 o  395.413   8.2940 23938.07  1000.99 25046.94  1617.12 23249.29  1274.51  403.489   13.131  389.261   10.727 14.22849 16.95559 
1 1 1   13    7   12 o  272.585   7.1881 11367.44  598.045 11127.44  1423.94 11418.85  658.982  267.515   17.536  273.130   7.9047 -5.615112 19.23554 
1 1 1   13    7   13 o  174.290   13.757  4706.99  725.902   0.0000   0.0000  4706.99  725.902  ?   ?   174.290   13.757 0.000000 13.75727 
1 1 1   13    7   14 o  166.871   13.538  4315.81  683.576   0.0000   0.0000  4315.81  683.576  ?   ?   166.871   13.538 0.000000 13.53784 
1 1 1   13    7   15 o  206.968   6.1870  6549.96  390.842  6467.31  428.292  6961.50  955.735  205.615   6.8245  211.885   14.872 -6.269958 16.36345 
1 1 1   13    7   16 o  229.369   11.741  8107.31  819.238  8076.76  1206.56  8133.44  1115.90  227.602   17.502  228.779   16.083 -1.177155 23.76956 
1 1 1   13    7   17 o  347.133   9.9589 18487.15  1055.17 18487.15  1055.17   0.0000   0.0000  347.133   9.9589  ?   ?  0.000000 9.958865 
1 1 1   13    7   18 o   96.577   5.0333  1429.27  147.856  1377.39  159.518  1745.65  393.948   94.762   5.5393  105.796   12.437 -11.03448 13.61492 
1 1 1   13    7   19 o   85.553   4.9691  1122.32  129.197  1120.49  138.838  1134.15  352.859   85.451   5.3502   84.628   14.161 0.8229828 15.13798 
1 1 1   13    7   20 o  114.058   3.2710  1986.58  113.873  2075.23  126.960  1621.88  257.512  116.568   3.5684  102.555   8.2977 14.01304 9.032457 
1 1 1   13    7   21 o  231.497   9.9789  8226.49  705.090  8400.57  851.473  7846.66  1257.73  233.332   11.996  223.766   18.583 9.565567 22.11905 
1 1 1   13    7   22 o   86.882   8.4757  1167.82  221.897  960.818  360.678  1293.89  281.469   77.406   15.801   91.220   10.289 -13.81352 18.85552 
1 1 1   13    7   23 o  372.860   5.9692 21263.34  679.326 22227.88  1145.00 20739.39  843.902  380.504   9.8589  368.003   7.5132 12.50168 12.39538 
1 1 1   13    7   24 o  431.578   6.8497 28509.11  902.298 28197.64  1180.36 28946.99  1399.54  428.751   9.0197  434.000   10.565 -5.249146 13.89167 
1 1 1   13    7   25 o  282.584   4.8069 12204.56  414.596 12796.91  719.953 11910.66  507.124  288.960   8.1630  279.051   5.9541 9.908722 10.10373 
1 1 1   13    7   26 o  107.884   3.8632  1777.97  127.210   0.0000   0.0000  1777.97  127.210  ?   ?   107.884   3.8632 0.000000 3.863197 
1 1 1   13    7   27 o   66.048   4.0850  669.023   81.947  653.193  128.883  679.766  106.171   65.000   6.5873   66.471   5.2764 -1.471786 8.439995 
1 1 1   13    7   28 o  267.595   5.5865 10950.52  456.282 11694.55  649.618 10226.03  641.029  276.280   7.7036  258.294   8.1310 17.98575 11.20083 
1 1 1   13    7   29 o  184.812   5.8335  5224.29  329.061  5258.15  360.010  5052.34  811.216  185.371   6.3629  180.043   14.896 5.327789 16.19781 
1 1 1   13    7   30 o  340.465   6.5152 17740.34  677.039 17598.07  1003.09 17859.38  917.570  338.513   9.7084  341.205   8.8106 -2.692383 13.11031 
1 1 1   13    7   31 o  138.451   3.2342  2927.42  136.673  3088.05  174.393  2671.70  220.042  142.171   4.0188  132.179   5.4541 9.991760 6.774848 
1 1 1   13    7   32 o  115.435   3.5349  2035.32  124.545  2124.35  146.457  1802.78  236.705  117.915   4.0693  108.256   7.2049 9.659790 8.274651 
1 1 1   13    7   33 o  127.117   5.8671  2472.02  227.636  2472.02  227.636   0.0000   0.0000  127.117   5.8671  ?   ?  0.000000 5.867084 
1 1 1   13    7   34 o  143.515   3.1982  3145.64  140.095  3292.94  186.266  2953.77  212.579  146.799   4.1571  138.993   5.0108 7.805389 6.510766 
1 1 1   13    7   35 o  280.743   4.0130 12043.09  343.869 12716.37  500.687 11441.99  473.093  288.305   5.6898  273.479   5.6677 14.82507 8.030970 
1 1 1   13    7   36 o   69.572   6.9404  748.822  145.412  1094.77  700.842  733.259  148.647   82.324   25.376   68.805   7.1841 13.51947 26.37356 
1 1 1   13    7   37 o   80.442   6.0499  996.139  147.453  1118.56  182.614  766.788  249.953   85.141   7.0916   69.460   12.237 15.68176 14.14331 
1 1 1   13    7   38 o  209.067   3.3836  6677.30  215.913  7029.45  316.363  6370.26  295.408  214.396   4.8345  204.104   4.7419 10.29182 6.771870 
1 1 1   13    7   39 o  172.424   3.0338  4541.08  159.660  4774.53  236.088  4344.32  216.737  176.717   4.3770  168.579   4.2122 8.138184 6.074638 
1 1 1   13    7   40 f  230.236   3.7502  8101.23  263.540  8232.98  339.141  7900.39  418.716  231.997   4.7894  227.108   6.0405 4.889191 7.708790 
1 1 1   13    7   41 o  205.964   3.6866  6483.53  231.760  7282.91  716.126  6390.01  244.942  217.082   10.808  204.454   3.9251 12.62846 11.49875 
1 1 1   13    7   42 o  205.937   5.7609  6497.50  362.112  6870.63  729.674  6375.58  417.098  210.282   11.411  203.856   6.7034 6.426392 13.23464 
1 1 1   13    7   43 o   86.072   5.1478  1138.44  134.617  1200.65  178.036  1055.41  205.703   88.201   6.6624   82.394   8.2922 5.807076 10.63713 
1 1 1   13    7   44 f  143.312   5.7599  3149.02  251.952  3145.94  261.865  3187.45  924.473  143.215   5.9906  138.173   22.710 5.042282 23.48678 
1 1 1   13    7   45 o  122.368   3.3124  2289.11  123.715  2353.88  157.062  2183.23  200.808  124.027   4.1490  119.324   5.5136 4.702751 6.900249 
1 1 1   13    7   46 o  245.359   4.9794  9227.12  372.901  9269.41  494.802  9171.51  567.329  245.520   6.6028  243.915   7.6204 1.605377 10.08304 
1 1 1   13    7   47 o  201.502   4.8344  6224.77  297.328  6436.45  369.788  5837.65  500.078  204.667   5.9195  194.236   8.4351 10.43184 10.30496 
1 1 1   13    7   48 o   94.268   3.9501  1360.76  113.655  1514.38  351.253  1342.80  120.117   97.413   12.072   93.622   4.2035 3.791054 12.78318 
1 1 1   13    8    0 o  371.114   7.3516 21071.30  831.996 21071.30  831.996 21071.30  831.996  371.114   7.3516  371.114   7.3516 0.000000 0.000000 
1 1 1   13    8    1 f  142.511   2.9299  3100.62  127.443  3173.87  167.219  2999.12  196.846  144.165   3.8002  140.119   4.6027 4.046188 5.968786 
1 1 1   13    8    2 o  205.452   4.1608  6446.81  260.919  6869.70  359.884  5978.21  378.835  212.018   5.5612  197.746   6.2766 14.27226 8.385887 
1 1 1   13    8    3 o  175.798   6.7699  4726.21  363.256  5245.10  565.890  4362.54  473.747  184.694   10.076  168.498   9.2470 16.19675 13.67625 
1 1 1   13    8    4 o  314.735   5.9723 15141.86  573.726 15447.41  783.214 14788.04  842.800  317.681   8.0774  310.731   8.8863 6.950470 12.00880 
1 1 1   13    8    5 o   88.611   4.4161  1199.37  119.440  1185.82  129.182  1279.18  313.507   87.969   4.8297   90.547   11.611 -2.577438 12.57566 
1 1 1   13    8    6 o  440.797   8.3343 29747.83  1121.31 29272.66  1519.87 30315.39  1661.07  436.653   11.404  444.158   12.253 -7.504272 16.73849 
1 1 1   13    8    7 o  122.831   3.1469  2303.60  117.979  2275.33  153.037  2345.00  185.229  122.056   4.1079  123.890   4.8984 -1.833954 6.392938 
1 1 1   13    8    8 o  146.882   4.6702  3295.87  209.372  3271.50  228.335  3424.58  524.734  146.323   5.1126  148.877   11.640 -2.554749 12.71358 
1 1 1   13    8    9 f  238.603   5.6843  8701.86  413.972  8695.90  444.813  8740.45  1131.46  238.493   6.1106  237.417   15.703 1.076263 16.84967 
1 1 1   13    8   10 o  133.318   4.5455  2715.19  184.964  2921.87  356.904  2639.29  216.273  137.864   8.5235  131.415   5.3919 6.449326 10.08579 
1 1 1   13    8   11 f  217.849   4.8043  7250.95  319.448  7358.87  454.152  7145.27  449.421  219.340   6.7837  216.131   6.8127 3.208862 9.614106 
1 1 1   13    8   12 o  185.581   14.031  5337.40  788.898   0.0000   0.0000  5337.40  788.898  ?   ?   185.581   14.031 0.000000 14.03102 
1 1 1   13    8   13 o  213.447   15.256  7070.40  987.372   0.0000   0.0000  7070.40  987.372  ?   ?   213.447   15.256 0.000000 15.25621 
1 1 1   13    8   14 o  132.408   3.6271  2677.39  146.585  2554.96  205.663  2803.81  208.980  129.297   5.2113  135.454   5.0547 -6.156235 7.260050 
1 1 1   13    8   15 o  107.960   3.4328  1779.85  113.115  1791.51  161.792  1768.70  158.206  108.277   4.8956  107.588   4.8177 0.6892548 6.868556 
1 1 1   13    8   16 o  320.410   6.5359 15703.99  639.186 15474.77  905.707 15931.44  902.193  317.678   9.3408  322.359   9.1694 -4.681122 13.08927 
1 1 1   13    8   17 o  172.575   5.4089  4552.53  284.906  4312.11  756.443  4592.27  307.554  166.390   15.058  173.305   5.8142 -6.915131 16.14139 
1 1 1   13    8   18 o  189.216   4.1519  5469.28  239.785  5864.58  333.559  5046.54  344.943  195.857   5.5798  181.645   6.2217 14.21175 8.357202 
1 1 1   13    8   19 o  176.077   4.1039  4736.07  220.553  4861.69  308.996  4605.60  314.907  178.317   5.6773  173.541   5.9452 4.775650 8.220515 
1 1 1   13    8   20 o  254.729   5.4109  9919.79  420.689  9919.79  420.689   0.0000   0.0000  254.729   5.4109  ?   ?  0.000000 5.410854 
1 1 1   13    8   21 o  161.071   5.5443  3966.76  272.570  3966.76  272.570   0.0000   0.0000  161.071   5.5443  ?   ?  0.000000 5.544271 
1 1 1   13    8   22 o  239.362   4.9989  8757.36  365.211  8828.88  499.599  8675.28  535.210  240.177   6.8151  238.021   7.3670 2.156250 10.03586 
1 1 1   13    8   23 o   95.470   2.8552  1391.69   83.199  1387.57  119.737  1395.54  115.689   95.302   4.1163   95.579   3.9656 -0.2770309 5.715806 
1 1 1   13    8   24 o  234.780   4.8814  8425.08  349.802  8937.79  521.591  8005.99  471.572  241.615   7.0728  228.706   6.7554 12.90907 9.780594 
1 1 1   13    8   25 o  304.855   8.8661 14255.87  824.981   0.0000   0.0000 14255.87  824.981  ?   ?   304.855   8.8661 0.000000 8.866119 
1 1 1   13    8   26 o  394.828   7.9134 23888.43  953.653 22367.25  1350.27 25402.43  1347.08  381.151   11.607  406.411   10.859 -25.26068 15.89473 
1 1 1   13    8   27 o  170.432   4.2809  4438.33  222.690  4190.88  319.936  4670.89  310.155  165.494   6.3338  174.751   5.8149 -9.257233 8.598260 
1 1 1   13    8   28 o  221.011   4.9603  7466.65  334.607  7425.72  478.621  7505.78  467.970  220.213   7.1208  221.417   6.9245 -1.204147 9.932530 
1 1 1   13    8   29 o  116.357   3.8290  2068.23  135.985  2039.92  208.697  2089.11  179.265  115.325   5.9492  116.901   5.0241 -1.576271 7.786809 
1 1 1   13    8   30 o  280.970   4.3390 12063.28  372.104 12246.20  630.398 11965.47  460.977  282.761   7.3043  279.731   5.3991 3.029785 9.083122 
1 1 1   13    8   31 o  332.484   4.4316 16893.52  449.724 16648.36  652.690 17115.12  620.540  329.807   6.4838  334.457   6.0787 -4.650269 8.887671 
1 1 1   13    8   32 o  122.431   3.6840  2289.75  137.667  2368.02  147.724  1772.83  379.609  124.499   3.8875  106.608   11.868 17.89102 12.48813 
1 1 1   13    8   33 o  129.008   4.0495  2542.99  159.454  2534.01  170.074  2608.16  458.408  128.769   4.3272  129.563   11.719 -0.7940369 12.49210 
1 1 1   13    8   34 o  174.296   4.0096  4641.88  213.306  4411.38  325.292  4815.75  282.528  169.762   6.2779  177.455   5.2162 -7.692474 8.162188 
1 1 1   13    8   35 o  158.115   3.5322  3819.16  170.465  3836.65  212.942  3787.95  284.440  158.434   4.4035  157.327   5.9234 1.106918 7.380891 
1 1 1   13    8   36 o  144.111   3.7572  3173.15  165.262  3722.69  265.970  2827.56  210.919  155.980   5.5866  135.970   5.0822 20.00957 7.552432 
1 1 1   13    8   37 o  120.431   9.2648  2243.06  337.947  2695.30  772.873  2136.16  375.775  129.193   20.267  117.263   10.614 11.92934 22.87784 
1 1 1   13    8   38 o  190.565   3.1229  5547.13  181.640  6387.20  360.157  5260.57  210.352  204.261   5.7768  185.542   3.7144 18.71855 6.867932 
1 1 1   13    8   39 o  123.234   3.7341  2320.88  140.453  2454.58  231.846  2243.36  176.535  126.595   6.0002  121.105   4.7758 5.489868 7.668838 
1 1 1   13    8   40 o  204.933   5.4821  6429.90  342.905  6844.28  1110.18  6386.20  360.535  207.656   17.684  204.199   5.7846 3.456940 18.60642 
1 1 1   13    8   41 o  100.840   2.7267  1553.18   83.923  1905.68  198.197  1476.17   92.637  111.374   5.8508   98.296   3.0877 13.07830 6.615592 
1 1 1   13    8   42 o  188.561   4.2979  5438.66  247.357  5456.85  380.784  5425.39  325.350  188.579   6.6156  188.171   5.6648 0.4077606 8.709525 
1 1 1   13    8   43 o  137.628   4.1947  2897.63  176.207  2875.53  191.375  3020.69  451.605  137.071   4.5743  139.207   10.711 -2.136414 11.64682 
1 1 1   13    8   44 o  219.960   4.6562  7407.92  312.603  8229.23  435.078  6531.48  449.447  231.550   6.1561  206.083   7.1453 25.46718 9.431462 
1 1 1   13    8   45 o  245.754   3.6692  9237.83  275.225  9429.35  386.476  9040.75  392.037  248.026   5.1052  242.822   5.2896 5.203598 7.351348 
1 1 1   13    8   46 o  241.981   6.3569  9004.25  469.509 10232.77  1243.25  8799.89  507.057  252.308   16.230  239.044   6.9496 13.26442 17.65545 
1 1 1   13    8   47 o  207.605   6.2287  6631.13  394.685  6016.80  1097.37  6722.41  422.991  190.648   19.116  208.916   6.6335 -18.26854 20.23417 
1 1 1   13    8   48 o   49.297   17.440  360.927  327.858   0.0000   0.0000  360.927  327.858  ?   ?    49.297   17.440 0.000000 17.44010 
1 1 1   13    8   49 o   31.776   8.1201  162.611   79.048   0.0000   0.0000  162.611   79.048  ?   ?    31.776   8.1201 0.000000 8.120077 
1 1 1   13    8   50 f   53.381   4.8782  441.319   78.604   0.0000   0.0000  441.319   78.604  ?   ?    53.381   4.8782 0.000000 4.878232 
1 1 1   13    9    0 o   83.027   11.362  1112.84  272.637  1112.84  272.637  1112.84  272.637   83.027   11.362   83.027   11.362 0.000000 0.000000 
1 1 1   13    9    1 o  393.506   12.962 23820.71  1556.81 25548.30  1922.08 20525.63  2654.50  406.837   15.479  360.972   24.234 45.86502 28.75512 
1 1 1   13    9    2 o  310.174   5.4597 14703.38  516.886 14721.15  564.307 14610.79  1288.18  310.320   5.9578  308.037   13.701 2.282196 14.94040 
1 1 1   13    9    3 o   56.109   9.9585  497.025  164.301  633.532  262.410  409.001  210.718   62.917   14.023   50.656   13.416 12.26139 19.40693 
1 1 1   13    9    4 o   65.022   4.1520  648.377   81.970  648.377   81.970   0.0000   0.0000   65.022   4.1520  ?   ?  0.000000 4.151962 
1 1 1   13    9    5 o  415.799   8.6679 26481.24  1100.05 27110.56  1193.95 22945.79  2829.90  420.595   9.3005  381.547   24.428 39.04861 26.13888 
1 1 1   13    9    6 o  358.640   5.3485 19656.86  585.479 20194.41  744.947 18788.35  946.900  363.364   6.7169  350.200   8.8587 13.16379 11.11724 
1 1 1   13    9    7 f  172.203   3.6092  4528.45  189.700  4975.25  275.573  4126.02  261.531  180.445   5.0035  164.316   5.2147 16.12900 7.226882 
1 1 1   13    9    8 o  110.817   4.3589  1875.92  147.435  1884.04  159.783  1829.38  382.483  111.048   4.7141  108.491   11.738 2.556725 12.64890 
1 1 1   13    9    9 o  214.986   8.5291  7079.60  559.669  7488.62  689.640  6290.59  957.844  220.931   10.227  201.177   15.724 19.75438 18.75739 
1 1 1   13    9   10 o  115.093   3.9108  2023.13  137.383  1856.70  274.131  2078.96  158.759  109.802   8.2396  116.656   4.4588 -6.853386 9.368663 
1 1 1   13    9   11 o  127.640   4.7006  2489.20  183.130  2506.25  200.297  2402.32  452.117  128.062   5.1243  124.423   12.056 3.639336 13.10018 
1 1 1   13    9   12 o  186.488   5.6550  5316.54  321.888  4542.99  866.800  5440.27  346.677  170.452   16.883  188.625   6.0216 -18.17300 17.92474 
1 1 1   13    9   13 f   89.704   4.3273  1229.27  118.480  602.444  478.254  1270.25  122.293   63.563   21.109   91.185   4.3940 -27.62212 21.56130 
1 1 1   13    9   14 o  508.145   12.861 39765.37  1994.64 42051.98  4789.84 39285.65  2193.92  510.899   30.861  504.554   14.246 6.345490 33.99063 
1 1 1   13    9   15 o  154.477   5.5204  3648.02  260.284  3483.63  284.738  4483.63  641.967  150.923   6.1812  170.222   12.442 -19.29886 13.89302 
1 1 1   13    9   16 f   73.253   3.0318  819.347   67.786  814.567   90.113  825.577  102.877   72.911   4.0655   73.361   4.6180 -0.4502411 6.152611 
1 1 1   13    9   17 o  428.611   6.8724 28113.36  899.066 27792.24  1102.10 28752.21  1554.48  425.850   8.4791  432.301   11.781 -6.450470 14.51506 
1 1 1   13    9   18 o  294.233   4.9829 13231.59  447.493 12871.89  549.490 13939.93  771.098  290.087   6.2060  301.598   8.3765 -11.51077 10.42502 
1 1 1   13    9   19 o   37.415   4.3887  216.814   49.166  156.210   71.278  271.818   67.906   31.316   7.5462   41.814   5.4502 -10.49842 9.308613 
1 1 1   13    9   20 f  392.706   7.7152 23622.48  924.766 23622.48  924.766   0.0000   0.0000  392.706   7.7152  ?   ?  0.000000 7.715204 
1 1 1   13    9   21 o   59.060   4.8386  536.667   86.457  536.667   86.457   0.0000   0.0000   59.060   4.8386  ?   ?  0.000000 4.838616 
1 1 1   13    9   22 o  285.685   7.3633 12498.88  642.059 12303.96  695.878 13614.80  1665.03  283.353   8.0462  294.881   18.595 -11.52823 20.26086 
1 1 1   13    9   23 o  429.416   9.8905 28320.39  1296.32 28142.71  1546.09 28740.94  2378.66  427.479   11.850  429.390   18.149 -1.911530 21.67520 
1 1 1   13    9   24 o  259.071   11.740 10335.87  928.367   0.0000   0.0000 10335.87  928.367  ?   ?   259.071   11.740 0.000000 11.74041 
1 1 1   13    9   25 o  127.807   8.9985  2518.48  348.789   0.0000   0.0000  2518.48  348.789  ?   ?   127.807   8.9985 0.000000 8.998517 
1 1 1   13    9   26 o   97.394   4.3960  1449.46  130.678  1510.14  154.975  1300.18  243.093   99.256   5.1331   91.649   8.7983 7.606262 10.18617 
1 1 1   13    9   27 o  357.605   6.2614 19567.60  683.423 19500.13  1060.24 19615.55  893.917  356.323   9.7486  357.710   8.1875 -1.387360 12.73068 
1 1 1   13    9   28 o  304.109   6.0979 14149.37  566.015 14339.18  837.217 13989.58  768.166  305.694   8.9729  302.058   8.3320 3.636597 12.24480 
1 1 1   13    9   29 o  170.354   4.0927  4433.95  212.804  4463.55  229.050  4247.24  575.310  170.907   4.3909  165.697   11.446 5.210281 12.25902 
1 1 1   13    9   30 o  337.713   5.4655 17441.78  563.376 17868.28  712.626 16730.96  919.977  341.617   6.8345  330.144   9.1297 11.47244 11.40445 
1 1 1   13    9   31 o  337.889   7.7720 17499.06  801.539 17815.91  870.962 15745.87  2048.75  340.816   8.3726  315.408   21.408 25.40869 22.98713 
1 1 1   13    9   32 o  127.226   3.6691  2472.68  142.480  2571.99  152.900  1817.68  392.682  129.748   3.8609  107.891   12.135 21.85714 12.73443 
1 1 1   13    9   33 o  207.387   3.7857  6570.98  239.631  6604.24  301.719  6514.15  394.371  207.846   4.7560  206.292   6.2633 1.553741 7.864417 
1 1 1   13    9   34 o  213.869   4.6271  6992.38  302.044  6987.25  328.627  7020.30  766.607  213.756   5.0369  212.968   11.840 0.7880707 12.86705 
1 1 1   13    9   35 o  245.828   4.1686  9235.99  312.780 10534.95  1367.65  9164.30  321.295  258.928   17.406  244.861   4.2990 14.06708 17.92938 
1 1 1   13    9   36 o  105.929   5.5904  1721.91  180.107  1719.25  211.397  1728.94  343.996  105.735   6.5830  105.351   10.853 0.3837051 12.69365 
1 1 1   13    9   37 o   74.477   2.8528  847.161   64.850  1037.44  168.130  813.904   70.289   81.997   6.7786   72.995   3.1548 9.002121 7.476834 
1 1 1   13    9   38 o  203.953   3.6783  6356.67  228.981  6535.42  411.851  6276.69  275.484  206.502   6.5343  202.602   4.4549 3.899750 7.908406 
1 1 1   13    9   39 o  229.031   4.5583  8022.90  318.653  8039.77  497.146  8011.15  415.145  228.909   7.1155  228.686   5.9476 0.2234192 9.273842 
1 1 1   13    9   40 o   34.988   4.1997  189.876   43.953  309.137  143.236  177.479   46.181   43.858   10.777   33.752   4.6028 10.10668 11.71883 
1 1 1   13    9   41 o   94.576   4.3337  1368.21  125.100  1541.70  186.852  1227.26  168.417  100.090   6.1461   89.249   6.2214 10.84113 8.745308 
1 1 1   13    9   42 o  124.613   4.0786  2375.13  155.127  2381.32  168.565  2340.90  396.486  124.750   4.4270  122.459   10.716 2.291046 11.59398 
1 1 1   13    9   43 o   72.894   4.3866  816.141   97.142  840.701  470.699  815.048   99.279   71.088   20.539   72.834   4.4877 -1.746117 21.02382 
1 1 1   13    9   44 o   49.736   5.2216  383.324   78.084  523.077  159.183  339.041   89.605   57.412   9.4100   46.534   6.4850 10.87773 11.42822 
1 1 1   13    9   45 o  108.938   3.9247  1816.24  130.499  1840.99  206.646  1799.82  168.305  109.271   6.2216  108.340   5.0897 0.9309616 8.038268 
1 1 1   13    9   46 o  174.010   5.6903  4651.60  302.221  4178.83  951.866  4704.61  318.712  158.061   20.192  174.940   5.9689 -16.87921 21.05546 
1 1 1   13    9   47 o   99.463   3.7233  1514.52  113.034  1691.51  198.074  1429.05  137.647  104.639   6.2300   96.529   4.6719 8.109970 7.787129 
1 1 1   13    9   48 o   30.295   7.9740  147.404   74.740   0.0000   0.0000  147.404   74.740  ?   ?    30.295   7.9740 0.000000 7.974025 
1 1 1   13    9   49 o  107.156   4.7771  1763.19  156.243   0.0000   0.0000  1763.19  156.243  ?   ?   107.156   4.7771 0.000000 4.777139 
1 1 1   13   10    0 o  375.448   23.661 22096.31  2686.71 22096.31  2686.71 22096.31  2686.71  375.448   23.661  375.448   23.661 0.000000 0.000000 
1 1 1   13   10    1 o  367.175   13.036 20752.60  1460.97 20370.89  1790.65 21512.64  2526.71  362.947   16.164  370.096   22.474 -7.148987 27.68331 
1 1 1   13   10    2 o  384.276   10.027 22651.35  1176.09 22431.82  1294.42 23690.06  2815.62  382.190   11.096  387.710   23.910 -5.519501 26.35910 
1 1 1   13   10    3 o  257.286   5.4348 10117.59  426.791 10660.87  466.879  7355.35  1052.74  264.077   5.7924  217.560   15.965 46.51634 16.98331 
1 1 1   13   10    4 o  374.780   10.560 21558.77  1207.96 21558.77  1207.96   0.0000   0.0000  374.780   10.560  ?   ?  0.000000 10.55987 
1 1 1   13   10    5 o  197.959   5.2701  5989.08  318.428  6498.98  858.395  5907.72  342.894  204.902   13.806  196.585   5.7147 8.317139 14.94186 
1 1 1   13   10    6 o   81.555   3.0427  1015.55   75.740  1085.11  109.377  951.460  104.982   84.174   4.2713   78.798   4.3823 5.376541 6.119505 
1 1 1   13   10    7 o  362.900   8.6214 20177.12  954.948 20077.11  1034.85 20750.81  2478.48  361.871   9.3692  363.302   22.461 -1.431000 24.33711 
1 1 1   13   10    8 o  149.668   7.0748  3427.68  323.190  3663.12  400.676  2989.22  546.778  154.396   8.5355  138.726   13.067 15.66960 15.60792 
1 1 1   13   10    9 o  206.083   8.5172  6506.81  535.741  6741.48  675.586  6109.21  879.387  209.277   10.611  198.416   14.624 10.86134 18.06796 
1 1 1   13   10   10 o  175.391   3.7174  4698.21  199.007  4686.09  287.208  4709.40  276.003  175.093   5.3742  175.539   5.1514 -0.4461975 7.444336 
1 1 1   13   10   11 o  271.936   18.056 11537.05  1490.17   0.0000   0.0000 11537.05  1490.17  ?   ?   271.936   18.056 0.000000 18.05622 
1 1 1   13   10   12 o   79.470   3.8339  964.620   92.995  993.505  483.842  963.513   94.762   78.328   20.129   79.423   3.9090 -1.095161 20.50509 
1 1 1   13   10   13 o  145.494   4.8308  3234.89  214.529  3290.14  234.556  2952.14  530.588  146.714   5.2379  137.871   12.753 8.843277 13.78683 
1 1 1   13   10   14 f  225.897   5.9823  7803.90  412.474  7854.24  794.126  7785.30  482.693  225.694   11.567  225.540   7.0118 0.1536560 13.52616 
1 1 1   13   10   15 o  270.483   6.8400 11196.21  564.691 11925.21  1066.94 10912.54  665.550  278.239   12.563  266.877   8.1706 11.36121 14.98651 
1 1 1   13   10   16 o  353.517   12.927 19264.85  1394.86 19147.77  1716.29 19492.65  2393.97  351.510   15.997  351.442   22.435 0.6771851E-01 27.55386 
1 1 1   13   10   17 o  495.346   17.310 38135.43  2617.16 38511.91  3211.38 37390.88  4516.16  495.529   21.233  480.199   30.978 15.33005 37.55618 
1 1 1   13   10   18 o   55.490   4.0229  472.857   67.672  555.174  123.183  437.275   80.988   59.837   6.8692   53.249   5.0432 6.588215 8.521746 
1 1 1   13   10   19 o   82.863   5.8044  1055.24  145.877  1055.24  145.877   0.0000   0.0000   82.863   5.8044  ?   ?  0.000000 5.804435 
1 1 1   13   10   20 o  221.413   6.4365  7501.58  434.978  7501.58  434.978   0.0000   0.0000  221.413   6.4365  ?   ?  0.000000 6.436450 
1 1 1   13   10   21 o  225.818   6.1722  7801.58  425.416  7790.18  461.744  7865.59  1094.19  225.602   6.7056  224.595   16.068 1.007904 17.41081 
1 1 1   13   10   22 o  211.693   10.835  6909.73  697.735  7224.93  1006.80  6618.45  967.843  215.373   15.418  206.066   15.502 9.306732 21.86327 
1 1 1   13   10   23 o  365.540   16.263 20750.98  1814.51   0.0000   0.0000 20750.98  1814.51  ?   ?   365.540   16.263 0.000000 16.26322 
1 1 1   13   10   24 o   18.943   7.0968   40.650   55.409   0.0000   0.0000   40.650   55.409  ?   ?    18.943   7.0968 0.000000 7.096766 
1 1 1   13   10   25 o  225.160   6.6426  7759.96  456.508  8106.52  1239.67  7705.58  491.013  227.335   18.013  224.314   7.1716 3.020325 19.38842 
1 1 1   13   10   26 o  295.988   5.8727 13401.40  530.552 13478.26  790.955 13338.53  715.355  296.415   8.7425  295.007   7.9446 1.407959 11.81302 
1 1 1   13   10   27 o  307.297   4.8477 14434.50  454.690 14747.28  579.283 13932.54  733.845  310.462   6.1132  301.494   7.9746 8.967621 10.04813 
1 1 1   13   10   28 f  119.396   3.3869  2177.27  123.427  2392.78  194.885  2032.93  159.491  125.103   5.1038  115.334   4.5307 9.768066 6.824657 
1 1 1   13   10   29 o  199.889   6.3116  6114.93  385.078  6114.93  385.078   0.0000   0.0000  199.889   6.3116  ?   ?  0.000000 6.311647 
1 1 1   13   10   30 o  185.355   4.6397  5251.41  262.490  5251.41  262.490   0.0000   0.0000  185.355   4.6397  ?   ?  0.000000 4.639718 
1 1 1   13   10   31 o  303.058   6.3169 14058.44  584.312 14058.44  584.312   0.0000   0.0000  303.058   6.3169  ?   ?  0.000000 6.316870 
1 1 1   13   10   32 o  137.263   3.8291  2878.65  160.424  2856.60  223.158  2902.24  230.781  136.662   5.3499  137.742   5.4893 -1.079330 7.665130 
1 1 1   13   10   33 o  370.370   5.5041 20985.70  622.213 21815.80  1050.26 20536.79  772.342  376.818   9.1317  366.129   6.9113 10.68802 11.45220 
1 1 1   13   10   34 o   93.461   3.2051  1334.23   91.431  1650.02  182.007  1227.64  105.742  103.674   5.7747   89.633   3.8651 14.04127 6.948815 
1 1 1   13   10   35 o  320.315   4.9443 15692.31  483.393 16637.27  869.725 15269.92  581.480  329.080   8.6589  315.807   6.0325 13.27316 10.55307 
1 1 1   13   10   36 o  197.370   5.3444  5960.96  321.957  6151.90  1068.39  5941.89  337.654  197.066   17.959  197.027   5.6147 0.3921509E-01 18.81670 
1 1 1   13   10   37 o  172.393   4.2281  4543.63  222.476   0.0000   0.0000  4543.63  222.476  ?   ?   172.393   4.2281 0.000000 4.228107 
1 1 1   13   10   38 o   92.495   2.6955  1306.66   76.098  1428.93  133.113  1247.30   92.748   96.659   4.5119   90.350   3.3632 6.308189 5.627526 
1 1 1   13   10   39 o  250.985   6.5597  9660.88  502.518   0.0000   0.0000  9660.88  502.518  ?   ?   250.985   6.5597 0.000000 6.559735 
1 1 1   13   10   40 o  138.121   3.2457  2915.23  136.832  3155.25  253.421  2816.46  162.566  143.492   5.7863  135.721   3.9243 7.771286 6.991531 
1 1 1   13   10   41 f   69.929   7.0315  758.659  148.046  771.023  166.900  713.023  320.648   70.352   7.9097   65.947   16.076 4.404663 17.91640 
1 1 1   13   10   42 o  133.505   10.698  2782.75  432.252  2738.88  492.079  2930.96  904.499  131.948   12.363  131.871   23.325 0.7661438E-01 26.39900 
1 1 1   13   10   43 o   79.973   5.0567  983.983  122.795  983.983  122.795   0.0000   0.0000   79.973   5.0567  ?   ?  0.000000 5.056668 
1 1 1   13   10   44 o  152.386   3.9247  3553.78  182.546  3641.04  285.254  3493.25  237.560  153.947   6.0708  150.930   5.1568 3.016785 7.965355 
1 1 1   13   10   45 o  110.191   3.7756  1858.34  126.982  1758.97  220.815  1907.45  155.215  106.647   6.8193  111.564   4.5582 -4.917015 8.202481 
1 1 1   13   10   46 o  208.449   3.9285  6654.01  249.947  6605.20  453.324  6675.33  299.601  206.852   7.1801  208.627   4.7050 -1.775253 8.584355 
1 1 1   13   10   47 o   51.603   3.9020  410.209   61.004   0.0000   0.0000  410.209   61.004  ?   ?    51.603   3.9020 0.000000 3.901989 
1 1 1   13   10   48 o   31.402   4.6855  154.639   43.534   0.0000   0.0000  154.639   43.534  ?   ?    31.402   4.6855 0.000000 4.685532 
1 1 1   13   11    1 o  316.206   20.324 15661.54  1951.16   0.0000   0.0000 15661.54  1951.16  ?   ?   316.206   20.324 0.000000 20.32416 
1 1 1   13   11    2 o  108.943   4.6030  1813.37  153.059  1739.59  167.454  2187.95  377.323  106.688   5.1424  118.924   10.503 -12.23536 11.69430 
1 1 1   13   11    3 o  270.196   6.4602 11166.98  532.774 11949.75  1054.08 10898.40  617.449  278.656   12.393  266.812   7.5819 11.84378 14.52864 
1 1 1   13   11    4 o  319.388   6.2291 15600.96  607.244 15048.42  903.531 16056.13  820.068  313.248   9.4501  323.747   8.2990 -10.49933 12.57692 
1 1 1   13   11    5 o  181.976   4.1159  5058.52  228.611  5027.92  340.677  5083.60  308.346  181.320   6.1557  182.357   5.5398 -1.037491 8.281482 
1 1 1   13   11    6 f  336.983   7.4635 17383.95  767.654 17347.72  823.512 17624.17  2120.48  336.551   8.0168  335.200   20.829 1.350891 22.31844 
1 1 1   13   11    7 o  287.464   9.7672 12678.79  856.982 13168.97  993.082 11249.04  1696.04  292.738   11.114  267.460   20.943 25.27820 23.70964 
1 1 1   13   11    8 o  283.591   10.776 12354.54  932.751 12828.01  1143.92 11415.19  1611.25  288.546   12.989  269.866   19.697 18.68057 23.59426 
1 1 1   13   11    9 o  179.139   6.0342  4907.69  329.932  4907.69  329.932   0.0000   0.0000  179.139   6.0342  ?   ?  0.000000 6.034155 
1 1 1   13   11   10 o  225.534   5.9549  7778.67  409.922  7981.79  453.944  6881.17  954.215  228.414   6.5112  210.470   14.951 17.94370 16.30741 
1 1 1   13   11   11 o  230.966   5.2766  8154.47  371.978  7396.57  532.599  8876.24  519.748  219.744   7.9408  240.814   7.0712 -21.07060 10.63292 
1 1 1   13   11   12 o   25.814   9.3496   84.156   94.813   76.816  109.594  105.995  189.042   26.373   9.9599   33.291   12.950 -6.918022 16.33683 
1 1 1   13   11   13 o  278.121   4.8163 11821.26  408.849 12315.82  615.951 11431.75  546.635  283.643   7.1147  273.337   6.5521 10.30643 9.672084 
1 1 1   13   11   14 o  113.930   3.7000  1982.58  128.666  1952.99  135.104  2271.04  421.828  113.071   3.9147  120.952   11.567 -7.881119 12.21180 
1 1 1   13   11   15 o  162.434   3.3422  4029.43  165.700  4034.39  205.870  4020.30  279.218  162.503   4.1506  162.145   5.6419 0.3579865 7.004158 
1 1 1   13   11   16 o  329.401   6.3646 16601.59  639.901 16659.39  867.805 16532.72  947.328  329.621   8.6256  328.209   9.4565 1.411102 12.79951 
1 1 1   13   11   17 o   43.358   6.2119  293.432   79.858  298.824   84.984  252.727  233.486   43.707   6.5739   42.536   14.741 1.171097 16.14031 
1 1 1   13   11   18 o  223.791   4.7208  7654.22  322.457  7793.73  441.061  7494.03  472.617  225.684   6.4030  221.245   6.9987 4.439087 9.485794 
1 1 1   13   11   19 o  395.864   10.170 24078.20  1228.86 24078.20  1228.86   0.0000   0.0000  395.864   10.170  ?   ?  0.000000 10.17048 
1 1 1   13   11   20 o  120.998   5.2438  2238.41  193.661  2238.41  193.661   0.0000   0.0000  120.998   5.2438  ?   ?  0.000000 5.243792 
1 1 1   13   11   21 o  211.728   6.3276  6859.73  408.916  6761.41  448.444  7344.85  996.113  210.143   6.9916  217.220   15.118 -7.077637 16.65680 
1 1 1   13   11   22 o  110.456   3.5844  1863.57  120.844  1776.63  176.695  1939.97  165.639  107.791   5.3706  112.659   4.8171 -4.867706 7.214406 
1 1 1   13   11   23 o   34.081   6.1021  183.085   61.146   0.0000   0.0000  183.085   61.146  ?   ?    34.081   6.1021 0.000000 6.102118 
1 1 1   13   11   24 o   67.194   4.3563  692.826   88.863   0.0000   0.0000  692.826   88.863  ?   ?    67.194   4.3563 0.000000 4.356326 
1 1 1   13   11   25 o  259.329   6.4664 10292.80  511.839  9142.68  1380.44 10476.11  551.122  241.133   18.908  261.576   6.9029 -20.44254 20.12844 
1 1 1   13   11   26 o  244.612   10.298  9198.83  768.851  8921.36  975.006  9655.06  1250.25  239.936   13.367  248.644   16.569 -8.708344 21.28845 
1 1 1   13   11   27 o  155.678   3.9752  3702.75  188.887  3758.60  199.898  3237.22  577.115  156.839   4.1758  144.165   13.264 12.67336 13.90605 
1 1 1   13   11   28 o  282.497   5.6103 12206.77  483.748 12117.57  533.129 12622.47  1150.90  281.392   6.2073  285.804   13.193 -4.412506 14.58057 
1 1 1   13   11   29 o  144.931   3.8930  3209.19  172.213  3226.31  191.082  3135.10  397.441  145.299   4.3087  142.594   9.1806 2.704712 10.14135 
1 1 1   13   11   30 o  389.061   9.9876 23276.65  1186.03 23276.65  1186.03   0.0000   0.0000  389.061   9.9876  ?   ?  0.000000 9.987588 
1 1 1   13   11   31 o   27.090   9.5827   97.944   98.981   97.944   98.981   0.0000   0.0000   27.090   9.5827  ?   ?  0.000000 9.582705 
1 1 1   13   11   32 o  212.819   4.6217  6924.26  300.216  7450.13  420.708  6378.63  428.540  220.592   6.2485  204.044   6.8810 16.54828 9.294683 
1 1 1   13   11   33 o  172.776   3.8243  4561.42  201.672  4810.89  306.326  4370.56  267.930  177.305   5.6604  169.033   5.1932 8.271896 7.681752 
1 1 1   13   11   34 o   69.210   4.1050  734.687   86.328  830.838  678.653  733.106   87.035   73.822   25.148   69.132   4.1439 4.690659 25.48761 
1 1 1   13   11   35 f   92.947   3.7222  1320.17  105.596  1381.35  195.120  1294.83  125.574   94.689   6.7965   92.023   4.4708 2.665993 8.135115 
1 1 1   13   11   36 o  125.541   3.4758  2408.18  133.186   0.0000   0.0000  2408.18  133.186  ?   ?   125.541   3.4758 0.000000 3.475809 
1 1 1   13   11   37 o  170.539   4.4260  4447.86  230.385   0.0000   0.0000  4447.86  230.385  ?   ?   170.539   4.4260 0.000000 4.426027 
1 1 1   13   11   38 o  204.603   5.9039  6414.45  368.697  7596.96  1083.50  6259.59  392.096  219.213   16.310  202.053   6.3579 17.16008 17.50572 
1 1 1   13   11   39 o  121.655   5.8776  2268.37  218.245  2505.21  710.242  2243.68  229.341  123.971   19.407  120.799   6.2415 3.172455 20.38576 
1 1 1   13   11   40 o  183.526   3.8750  5150.69  217.061  5097.29  261.842  5268.00  388.103  182.485   4.7011  185.202   6.8657 -2.717331 8.320907 
1 1 1   13   11   41 o   68.200   5.1461  716.626  106.334  690.804  116.916  840.200  255.767   66.867   5.7855   72.536   11.970 -5.669044 13.29483 
1 1 1   13   11   42 o  133.758   3.9269  2737.29  160.319  2770.76  170.416  2479.70  472.795  134.554   4.1495  125.295   12.531 9.258263 13.20012 
1 1 1   13   11   43 o  160.804   3.9964  3957.68  196.146  3554.20  301.254  4254.61  258.431  152.027   6.4922  166.579   5.0829 -14.55157 8.245275 
1 1 1   13   11   44 o  126.493   3.7845  2448.92  146.115  2146.01  231.120  2650.60  188.584  117.918   6.4460  131.496   4.6987 -13.57848 7.976735 
1 1 1   13   11   45 o  112.704   3.9018  1945.07  134.221  2019.85  227.736  1905.27  166.143  114.315   6.5543  111.438   4.8846 2.877876 8.174260 
1 1 1   13   11   46 o  155.354   5.1944  3707.60  246.306   0.0000   0.0000  3707.60  246.306  ?   ?   155.354   5.1944 0.000000 5.194396 
1 1 1   13   11   47 o   51.013   5.4040  404.614   82.860   0.0000   0.0000  404.614   82.860  ?   ?    51.013   5.4040 0.000000 5.403955 
1 1 1   13   12    2 o  636.679   41.157 68170.13  7955.19 68170.13  7955.19   0.0000   0.0000  636.679   41.157  ?   ?  0.000000 41.15702 
1 1 1   13   12    3 o  137.264   3.6461  2877.63  152.757  2895.00  164.881  2772.41  405.868  137.669   3.9239  134.026   9.9934 3.642288 10.73611 
1 1 1   13   12    4 o  234.150   8.0072  8398.64  572.259  8903.35  811.708  7899.89  806.905  240.674   11.050  226.310   11.722 14.36441 16.10891 
1 1 1   13   12    5 o  207.726   4.4350  6592.84  281.191  7467.50  946.450  6508.16  294.489  219.457   14.206  206.374   4.6752 13.08273 14.95539 
1 1 1   13   12    6 o  340.099   14.839 17883.59  1540.43 18806.10  2187.55 16976.19  2169.55  346.030   20.809  328.261   21.777 17.76953 30.12091 
1 1 1   13   12    7 o  279.493   7.2185 11958.71  615.796 11929.10  660.650 12154.84  1700.23  279.079   7.7558  278.166   20.162 0.9130554 21.60274 
1 1 1   13   12    8 o   34.260   7.3482  186.598   74.536  200.370  102.797  171.330  108.232   35.506   9.3547   33.226   9.9173 2.279423 13.63316 
1 1 1   13   12    9 o  349.401   7.8827 18701.72  840.653 19086.90  912.442 16538.83  2162.18  352.877   8.4716  323.755   22.011 29.12210 23.58522 
1 1 1   13   12   10 o  266.030   5.5573 10821.25  451.241 10845.01  678.464 10802.40  604.264  266.003   8.3565  265.596   7.4540 0.4063721 11.19788 
1 1 1   13   12   11 o  219.376   5.6462  7359.17  378.062  7473.46  454.860  7103.79  679.929  220.979   6.7439  215.030   10.360 5.948746 12.36137 
1 1 1   13   12   12 o  113.797   3.5548  1977.87  123.471  1971.74  184.567  1982.83  166.116  113.565   5.3247  113.903   4.7781 -0.3385696 7.154223 
1 1 1   13   12   13 o  194.479   5.6793  5783.96  337.122  5770.86  366.897  5855.00  854.314  194.221   6.1892  194.042   14.530 0.1781921 15.79332 
1 1 1   13   12   14 o  238.949   4.5125  8725.10  329.109  8820.95  473.577  8635.58  457.690  240.092   6.4624  237.571   6.3119 2.521332 9.033449 
1 1 1   13   12   15 o  120.869   4.6097  2232.66  170.060  2279.97  186.892  2004.97  410.030  122.128   5.0137  113.467   12.023 8.660324 13.02605 
1 1 1   13   12   16 o  255.053   5.2928  9946.05  412.034  9807.60  562.849 10105.91  604.821  253.062   7.2870  256.828   7.7156 -3.765411 10.61274 
1 1 1   13   12   17 o  175.562   5.4111  4712.99  289.956  4671.89  315.323  4938.06  737.865  174.762   5.9114  178.271   13.665 -3.509064 14.88846 
1 1 1   13   12   18 o   58.748   4.5787  530.640   81.454  530.640   81.454   0.0000   0.0000   58.748   4.5787  ?   ?  0.000000 4.578730 
1 1 1   13   12   19 o   93.348   5.1826  1336.35  147.081  1336.35  147.081   0.0000   0.0000   93.348   5.1826  ?   ?  0.000000 5.182557 
1 1 1   13   12   20 o  426.992   10.818 28046.43  1409.94 28067.13  1551.44 27948.21  3379.23  426.791   11.910  417.210   26.676 9.581116 29.21407 
1 1 1   13   12   21 o  240.135   6.4768  8825.58  474.717  8993.86  521.354  8009.20  1148.31  242.350   7.0481  226.343   16.740 16.00691 18.16362 
1 1 1   13   12   22 o  262.840   7.3916 10582.70  592.992   0.0000   0.0000 10582.70  592.992  ?   ?   262.840   7.3916 0.000000 7.391635 
1 1 1   13   12   23 o  331.705   9.2043 16889.93  931.879   0.0000   0.0000 16889.93  931.879  ?   ?   331.705   9.2043 0.000000 9.204293 
1 1 1   13   12   24 o   80.695   5.6972  1000.94  139.420  902.901  168.052  1217.42  249.715   76.432   7.2921   88.557   9.3815 -12.12474 11.88218 
1 1 1   13   12   25 o  363.483   8.0128 20254.61  888.961 20461.94  1034.62 19669.89  1737.54  365.055   9.2855  355.801   16.000 9.253754 18.49889 
1 1 1   13   12   26 o   91.734   4.1131  1285.83  115.164  1306.48  122.033  1117.69  348.160   92.462   4.3241   83.885   14.098 8.577003 14.74632 
1 1 1   13   12   27 o   74.041   3.8393  839.781   86.466  694.497  143.430  922.726  108.373   66.959   7.1275   77.561   4.5983 -10.60207 8.482119 
1 1 1   13   12   28 o   68.784   3.6122  724.753   75.572  917.045  132.410  631.852   92.034   77.218   5.6574   64.116   4.7364 13.10235 7.378340 
1 1 1   13   12   29 o  343.706   5.5135 18071.46  578.403 18225.86  736.031 17822.13  935.278  344.922   6.9913  340.654   8.9952 4.267273 11.39261 
1 1 1   13   12   30 o  111.732   4.1122  1907.81  140.240  1907.75  150.018  1908.26  394.897  111.719   4.3995  110.573   11.888 1.145317 12.67550 
1 1 1   13   12   31 o  161.759   6.2119  4006.25  306.698  4006.25  306.698   0.0000   0.0000  161.759   6.2119  ?   ?  0.000000 6.211932 
1 1 1   13   12   32 o  133.732   5.2896  2736.12  215.911  2703.69  234.573  2915.95  552.371  132.906   5.7825  136.517   13.430 -3.611130 14.62227 
1 1 1   13   12   33 o  141.520   5.6216  3065.47  242.827  3134.53  270.285  2776.43  552.934  143.061   6.1899  133.028   13.820 10.03297 15.14260 
1 1 1   13   12   34 o  151.712   5.5372  3523.15  256.407  3631.42  284.572  3056.00  591.121  153.980   6.0549  139.495   14.076 14.48592 15.32311 
1 1 1   13   12   35 o  143.417   5.4035  3148.51  236.533  3154.52  258.771  3117.97  583.212  143.512   5.9076  140.935   13.732 2.576691 14.94906 
1 1 1   13   12   36 o  171.833   10.859  4582.24  566.579  4532.80  878.612  4617.43  741.301  168.778   17.300  171.463   14.295 -2.684311 22.44180 
1 1 1   13   12   37 o   40.741   12.148  261.064  162.449  333.160  549.334  254.155  170.055   56.109   22.005   40.459   12.505 15.64985 25.31021 
1 1 1   13   12   38 o   59.758   6.3293  553.805  113.686  629.264  147.633  443.865  178.200   63.505   7.7792   52.508   11.442 10.99744 13.83628 
1 1 1   13   12   39 o  120.622   3.9127  2225.15  144.053  2401.25  208.480  2064.26  199.277  125.179   5.4565  116.049   5.6260 9.130531 7.837409 
1 1 1   13   12   40 o  223.041   3.8919  7609.39  264.949  7899.35  341.819  7172.98  419.344  227.094   4.9314  216.140   6.3565 10.95409 8.045118 
1 1 1   13   12   41 o   63.695   6.6831  630.436  127.991  675.826  154.643  531.726  228.048   65.756   7.8609   57.093   13.329 8.663712 15.47432 
1 1 1   13   12   42 o  148.417   9.0809  3424.86  409.388   0.0000   0.0000  3424.86  409.388  ?   ?   148.417   9.0809 0.000000 9.080874 
1 1 1   13   12   43 o  104.512   4.0162  1672.41  128.115  1667.76  141.772  1693.10  299.168  104.327   4.4522  103.957   9.5348 0.3699188 10.52303 
1 1 1   13   12   44 o  134.485   5.3450  2777.89  219.401  2662.48  263.870  3036.41  394.913  131.279   6.6064  139.400   9.3355 -8.120300 11.43667 
1 1 1   13   12   45 f  113.103   4.5305  1962.12  156.401   0.0000   0.0000  1962.12  156.401  ?   ?   113.103   4.5305 0.000000 4.530532 
1 1 1   13   12   46 o   73.363   4.4560  828.733   99.306   0.0000   0.0000  828.733   99.306  ?   ?    73.363   4.4560 0.000000 4.455962 
1 1 1   13   12   47 o   74.399   3.4539  847.658   78.432   0.0000   0.0000  847.658   78.432  ?   ?    74.399   3.4539 0.000000 3.453897 
1 1 1   13   13    0 o  151.341   8.8697  3540.34  406.495  3540.34  406.495  3540.34  406.495  151.341   8.8697  151.341   8.8697 0.000000 0.000000 
1 1 1   13   13    1 o  202.741   5.3722  6284.21  332.440  6178.27  618.809  6327.19  394.149  200.310   10.155  203.361   6.3500 -3.050659 11.97651 
1 1 1   13   13    2 o  291.623   19.038 13324.55  1685.28 13324.55  1685.28   0.0000   0.0000  291.623   19.038  ?   ?  0.000000 19.03811 
1 1 1   13   13    3 o  175.802   13.357  4795.84  711.344  4795.84  711.344   0.0000   0.0000  175.802   13.357  ?   ?  0.000000 13.35669 
1 1 1   13   13    4 o  157.100   12.338  3825.26  586.868  3825.26  586.868   0.0000   0.0000  157.100   12.338  ?   ?  0.000000 12.33827 
1 1 1   13   13    5 o   87.196   4.1427  1161.59  110.254  1431.54  228.587  1079.75  125.862   96.349   7.8409   83.904   4.9364 12.44501 9.265449 
1 1 1   13   13    6 o   64.936   9.8622  661.926  189.322  530.284  327.524  727.983  232.010   57.991   17.239   67.846   11.622 -9.855270 20.79053 
1 1 1   13   13    7 o   61.974   3.9325  589.085   74.002  517.572  278.134  594.533   76.770   56.891   15.566   62.251   4.0627 -5.359360 16.08741 
1 1 1   13   13    8 o  103.370   3.2805  1631.83  103.503  1524.79  166.581  1699.14  132.096   99.709   5.4948  105.460   4.1038 -5.750481 6.858155 
1 1 1   13   13    9 o  408.734   9.9329 25658.90  1239.18 25097.27  1480.23 26974.51  2265.53  403.643   12.015  416.151   17.836 -12.50842 21.50540 
1 1 1   13   13   10 o  127.805   4.5879  2496.19  178.967  2505.62  220.542  2478.01  306.257  128.001   5.6450  126.919   7.9458 1.082008 9.746861 
1 1 1   13   13   11 o   97.948   3.1646  1465.08   94.609  1516.46  159.035  1436.94  117.701   99.454   5.2577   96.984   3.9762 2.470566 6.591928 
1 1 1   13   13   12 o   65.133   2.9610  647.807   58.864  624.791   87.050  667.199   79.902   63.783   4.5003   65.965   3.9872 -2.181778 6.012556 
1 1 1   13   13   13 o  261.950   4.9334 10488.93  394.441 10546.50  435.009 10222.71  935.391  262.624   5.4269  257.599   11.897 5.024292 13.07614 
1 1 1   13   13   14 o  217.791   4.6085  7249.17  306.352  7421.27  421.298  7056.06  446.273  220.228   6.2676  214.689   6.8104 5.538223 9.255496 
1 1 1   13   13   15 o  227.150   5.4271  7890.03  376.266  7981.19  439.833  7641.26  726.599  228.378   6.3098  222.903   10.680 5.475204 12.40446 
1 1 1   13   13   16 o  248.448   4.2543  9431.76  322.610  9817.58  464.716  9072.86  448.211  253.323   6.0103  243.523   6.0301 9.799469 8.513865 
1 1 1   13   13   17 o  115.070   11.638  2059.72  403.112  2059.72  403.112   0.0000   0.0000  115.070   11.638  ?   ?  0.000000 11.63752 
1 1 1   13   13   18 o  333.890   21.948 17646.12  2224.26 17646.12  2224.26   0.0000   0.0000  333.890   21.948  ?   ?  0.000000 21.94788 
1 1 1   13   13   19 o   59.392   4.6690  542.466   83.957  831.612  413.926  530.059   85.739   71.646   18.721   58.689   4.8292 12.95720 19.33397 
1 1 1   13   13   20 o  307.411   7.8358 14483.55  735.222 14709.01  808.929 13412.71  1762.91  309.668   8.5585  291.844   19.910 17.82391 21.67120 
1 1 1   13   13   21 o  102.642   4.2423  1609.85  132.907   0.0000   0.0000  1609.85  132.907  ?   ?   102.642   4.2423 0.000000 4.242326 
1 1 1   13   13   22 o  208.086   4.4344  6617.21  281.638  6690.46  431.598  6562.89  371.676  209.042   6.7644  207.121   5.8793 1.920914 8.962295 
1 1 1   13   13   23 o  224.096   4.1950  7673.66  286.936  7922.43  316.464  6524.10  680.289  227.674   4.5540  205.612   10.879 22.06236 11.79340 
1 1 1   13   13   24 o   52.832   4.5472  429.754   72.612  541.311  168.857  404.445   80.427   58.579   9.7895   51.164   5.2234 7.415161 11.09585 
1 1 1   13   13   25 o   81.930   4.5220  1029.08  112.642  1225.96  439.455  1015.23  116.536   87.254   17.113   81.359   4.7130 5.894653 17.74969 
1 1 1   13   13   26 o  288.275   5.7072 12713.86  502.166 13216.91  687.814 12139.64  734.859  293.629   7.6746  281.255   8.5602 12.37393 11.49682 
1 1 1   13   13   27 o  199.993   4.3938  6113.28  268.207  6195.22  282.763  5378.33  846.844  201.314   4.6018  185.500   15.088 15.81427 15.77386 
1 1 1   13   13   28 o  225.289   4.7035  7759.72  323.426  7834.78  340.350  7060.83  1038.57  226.357   4.9262  212.290   16.149 14.06636 16.88403 
1 1 1   13   13   29 o   78.068   7.9696  944.649  187.238  944.649  187.238   0.0000   0.0000   78.068   7.9696  ?   ?  0.000000 7.969615 
1 1 1   13   13   30 o  289.276   14.305 12999.48  1263.07 12999.48  1263.07   0.0000   0.0000  289.276   14.305  ?   ?  0.000000 14.30536 
1 1 1   13   13   31 o   25.881   7.3194  105.373   60.403  301.681  121.232   40.547   69.666   43.460   9.4117   20.369   7.8784 23.09136 12.27396 
1 1 1   13   13   32 o  257.342   5.6435 10137.62  443.280 10137.62  443.280   0.0000   0.0000  257.342   5.6435  ?   ?  0.000000 5.643524 
1 1 1   13   13   33 o  170.894   5.9020  4472.71  307.851   0.0000   0.0000  4472.71  307.851  ?   ?   170.894   5.9020 0.000000 5.901974 
1 1 1   13   13   34 o   74.181   5.0108  845.872  112.789   0.0000   0.0000  845.872  112.789  ?   ?    74.181   5.0108 0.000000 5.010813 
1 1 1   13   13   35 o  172.658   8.0119  4582.81  422.220  5185.83  848.362  4384.26  486.790  181.268   15.482  168.366   9.5115 12.90140 18.17042 
1 1 1   13   13   36 o   54.463   3.8167  455.705   63.046  703.570  136.355  388.308   71.103   67.384   6.7194   50.156   4.6993 17.22750 8.199644 
1 1 1   13   13   37 o  122.386   4.0265  2290.75  150.410  2298.51  160.811  2236.57  425.115  122.575   4.2983  119.417   11.819 3.158531 12.57590 
1 1 1   13   13   38 o  110.114   4.5991  1856.00  154.571  1932.77  186.320  1686.52  276.831  112.301   5.4357  104.195   8.7867 8.106827 10.33211 
1 1 1   13   13   39 o   47.093   8.6008  352.723  119.071  207.443  156.643  551.559  183.255   37.041   12.070   58.747   10.610 -21.70657 16.07075 
1 1 1   13   13   40 o   77.201   3.5489  911.526   83.624  1110.85  152.934  826.513   99.877   84.857   5.9422   73.330   4.4839 11.52663 7.444155 
1 1 1   13   13   41 o   64.216   3.7315  633.090   72.821  632.325  137.696  633.386   85.802   63.661   7.2138   64.155   4.4085 -0.4942284 8.454246 
1 1 1   13   13   42 o   84.292   4.0568  1088.05  104.373  1106.89  118.248  1021.58  222.063   84.857   4.5825   80.616   9.1890 4.240570 10.26824 
1 1 1   13   13   43 o  176.631   5.3642  4792.70  289.196  4798.96  349.286  4779.05  515.703  176.480   6.4844  174.831   9.7023 1.649231 11.66969 
1 1 1   13   13   44 o   81.250   10.394  1050.00  251.848   0.0000   0.0000  1050.00  251.848  ?   ?    81.250   10.394 0.000000 10.39367 
1 1 1   13   13   45 o  167.191   9.9024  4393.61  503.072   0.0000   0.0000  4393.61  503.072  ?   ?   167.191   9.9024 0.000000 9.902385 
1 1 1   13   14    0 o   80.080   4.1242  987.007  100.195  987.007  100.195  987.007  100.195   80.080   4.1242   80.080   4.1242 0.000000 0.000000 
1 1 1   13   14    1 o  209.078   4.5212  6680.21  288.521  6720.39  408.675  6640.29  407.388  209.565   6.3891  208.311   6.4074 1.254257 9.048518 
1 1 1   13   14    2 o  305.298   5.7016 14255.08  531.295 14136.68  751.796 14373.20  750.933  303.694   8.1105  306.237   8.0339 -2.542511 11.41594 
1 1 1   13   14    3 o  259.210   7.5189 10292.43  594.875 11853.58  1427.54  9964.37  654.401  275.550   17.057  254.926   8.4103 20.62434 19.01801 
1 1 1   13   14    4 o  339.204   21.747 18178.36  2239.67 18178.36  2239.67   0.0000   0.0000  339.204   21.747  ?   ?  0.000000 21.74703 
1 1 1   13   14    5 o  139.023   12.110  3000.31  508.724  3000.31  508.724   0.0000   0.0000  139.023   12.110  ?   ?  0.000000 12.10981 
1 1 1   13   14    6 o  333.864   14.946 17265.35  1523.00 18555.45  2152.17 15971.21  2155.53  343.264   20.637  317.508   22.386 25.75677 30.44715 
1 1 1   13   14    7 o   45.496   8.7264  328.080  116.770  690.709  311.142  268.632  125.978   65.446   15.764   41.009   10.125 24.43721 18.73524 
1 1 1   13   14    8 o  173.100   5.1056  4580.83  269.747  5105.66  872.025  4525.29  283.660  180.689   15.976  172.029   5.4023 8.659378 16.86509 
1 1 1   13   14    9 o  103.687   7.1710  1654.23  225.551  1435.65  599.030  1690.33  243.469   93.767   21.402  104.757   7.6678 -10.98939 22.73424 
1 1 1   13   14   10 o  198.626   5.1263  6031.67  310.786  6046.35  363.265  5991.60  600.271  198.803   5.9866  197.222   10.005 1.581009 11.65897 
1 1 1   13   14   11 o  203.007   4.1854  6296.97  259.338  6673.69  374.496  5949.85  359.482  208.870   5.8743  197.210   5.9721 11.66006 8.376962 
1 1 1   13   14   12 o  246.358   6.3345  9287.92  476.319  9299.91  517.255  9221.01  1221.65  246.456   6.8762  242.989   16.571 3.467636 17.94084 
1 1 1   13   14   13 o  203.161   7.1970  6321.46  446.279  6633.99  676.370  6080.50  593.908  207.401   10.721  198.950   9.7804 8.450516 14.51210 
1 1 1   13   14   14 o  171.304   4.6830  4485.21  244.855  4506.28  568.038  4480.40  271.360  170.784   10.955  171.182   5.1936 -0.3985443 12.12373 
1 1 1   13   14   15 o  374.903   8.7318 21563.84  999.172 21715.32  1083.77 20705.62  2579.62  376.049   9.4423  360.752   23.557 15.29727 25.37891 
1 1 1   13   14   16 o  122.609   5.3978  2298.87  202.001  2298.87  202.001   0.0000   0.0000  122.609   5.3978  ?   ?  0.000000 5.397788 
1 1 1   13   14   17 o  235.218   5.6587  8462.58  406.258  8828.19  449.363  6826.49  950.594  240.199   6.1293  209.347   14.976 30.85152 16.18150 
1 1 1   13   14   18 o  131.993   4.0787  2661.95  164.320  3102.88  583.837  2624.01  171.242  141.014   13.739  131.042   4.2814 9.972153 14.39093 
1 1 1   13   14   19 o   86.906   10.161  1176.50  264.442  1532.50  492.247  1032.08  313.526   97.859   17.103   80.734   13.178 17.12461 21.59089 
1 1 1   13   14   20 o  139.930   3.9293  2991.49  167.819  3033.16  255.663  2959.95  222.452  140.800   5.9490  139.130   5.2384 1.670059 7.926639 
1 1 1   13   14   21 o  113.857   3.6661  1980.30  127.405  2244.08  204.351  1812.57  162.951  121.128   5.5273  108.887   4.9030 12.24117 7.388579 
1 1 1   13   14   22 o   92.877   4.9727  1322.62  140.457  1363.61  154.791  1131.52  334.208   94.271   5.4021   84.553   13.397 9.717712 14.44479 
1 1 1   13   14   23 o  167.988   5.1711  4315.38  265.143  4464.87  615.458  4281.31  293.806  169.726   11.957  167.284   5.7543 2.442566 13.26943 
1 1 1   13   14   24 o  145.627   4.9625  3242.61  220.576  3571.28  580.007  3187.04  238.495  151.533   12.656  144.348   5.4132 7.185089 13.76523 
1 1 1   13   14   25 o  245.323   5.0624  9203.29  379.064  9232.93  399.344  8933.49  1204.85  245.691   5.3253  238.802   16.634 6.889297 17.46568 
1 1 1   13   14   26 o  137.381   3.2140  2882.75  134.770  3072.83  184.097  2663.26  197.829  141.793   4.2538  131.973   4.9112 9.819855 6.497255 
1 1 1   13   14   27 o  146.011   3.3543  3256.64  149.487  3364.09  201.837  3126.08  222.481  148.346   4.4577  142.965   5.0985 5.380798 6.772431 
1 1 1   13   14   28 o  115.860   9.0595  2075.65  317.824  2742.29  525.498  1691.15  399.090  132.420   13.177  103.757   12.879 28.66302 18.42525 
1 1 1   13   14   29 o  124.084   4.8699  2354.81  184.438  2428.97  204.703  2034.91  425.159  125.996   5.3229  114.027   12.417 11.96893 13.50951 
1 1 1   13   14   30 o  116.116   3.8878  2060.60  137.788  2093.40  155.775  1942.68  295.380  117.014   4.3616  112.090   8.7019 4.924187 9.733788 
1 1 1   13   14   31 o  100.549   3.6626  1545.00  112.404  1618.75  187.625  1503.71  140.384  102.630   6.0159   99.156   4.6385 3.473274 7.596541 
1 1 1   13   14   32 o   74.363   4.7666  849.403  107.620   0.0000   0.0000  849.403  107.620  ?   ?    74.363   4.7666 0.000000 4.766611 
1 1 1   13   14   33 o  215.699   6.8281  7137.47  449.538   0.0000   0.0000  7137.47  449.538  ?   ?   215.699   6.8281 0.000000 6.828132 
1 1 1   13   14   34 o   41.954   5.6874  274.529   70.951  381.520  131.534  230.624   84.260   48.988   9.1330   38.092   7.5141 10.89526 11.82681 
1 1 1   13   14   35 o  109.809   3.7939  1843.57  127.158  2016.13  196.438  1719.11  166.825  114.709   5.6106  105.955   5.1585 8.753166 7.621631 
1 1 1   13   14   36 o  124.876   3.8291  2384.60  145.948  2412.84  163.920  2276.61  320.582  125.582   4.2765  121.202   8.7242 4.379158 9.715975 
1 1 1   13   14   37 o  117.888   7.1995  2145.04  257.810  2609.77  503.534  1979.93  300.133  128.555   13.012  112.928   8.7765 15.62691 15.69526 
1 1 1   13   14   38 o  237.154   4.5987  8612.57  332.873  8747.83  367.688  7998.04  783.708  238.926   5.0419  226.296   11.383 12.63000 12.44945 
1 1 1   13   14   39 o  146.446   5.2595  3289.10  235.094  3329.42  262.093  3123.09  531.818  147.258   5.8312  140.593   12.524 6.665253 13.81528 
1 1 1   13   14   40 o  213.607   4.4696  6990.70  291.411  7625.83  408.612  6333.31  415.713  222.748   6.0101  202.818   6.7154 19.93048 9.012075 
1 1 1   13   14   41 o   45.260   4.2480  316.567   57.997  358.614  147.602  308.889   63.069   47.023   10.544   44.640   4.6996 2.383610 11.54415 
1 1 1   13   14   42 o   71.001   9.6743  799.751  204.195   0.0000   0.0000  799.751  204.195  ?   ?    71.001   9.6743 0.000000 9.674316 
1 1 1   13   14   43 o   73.875   4.4140  840.001   99.074   0.0000   0.0000  840.001   99.074  ?   ?    73.875   4.4140 0.000000 4.414009 
1 1 1   13   14   44 o   20.940   7.1381   62.660   54.676   0.0000   0.0000   62.660   54.676  ?   ?    20.940   7.1381 0.000000 7.138111 
1 1 1   13   15    0 o  255.039   7.6635  9974.48  595.337  9974.48  595.337  9974.48  595.337  255.039   7.6635  255.039   7.6635 0.000000 0.000000 
1 1 1   13   15    1 o  171.960   7.9933  4532.70  419.535  6676.60  716.252  3413.00  517.625  207.941   11.328  148.433   11.515 59.50876 16.15323 
1 1 1   13   15    2 o  431.512   9.3536 28588.61  1231.94 28529.67  1334.48 28928.52  3204.62  430.837   10.148  425.812   24.764 5.024902 26.76261 
1 1 1   13   15    3 o   97.129   3.8766  1441.25  114.925  1569.60  122.265  467.477  336.760  101.360   3.9520   55.274   17.669 46.08580 18.10574 
1 1 1   13   15    4 o  190.514   8.2765  5565.39  481.273  5851.73  591.567  5004.90  827.662  194.895   9.9780  179.028   15.293 15.86665 18.26053 
1 1 1   13   15    5 o  104.947   12.184  1720.23  383.029  1720.23  383.029   0.0000   0.0000  104.947   12.184  ?   ?  0.000000 12.18437 
1 1 1   13   15    8 o  141.204   11.776  3093.04  502.879   0.0000   0.0000  3093.04  502.879  ?   ?   141.204   11.776 0.000000 11.77550 
1 1 1   13   15    9 o  122.848   6.5046  2316.41  243.027  2359.90  422.767  2294.94  297.004  123.286   11.363  122.095   8.0143 1.191582 13.90476 
1 1 1   13   15   10 o  129.602   4.4717  2566.97  176.889  3300.69  457.771  2438.19  191.786  146.161   10.328  126.288   4.9755 19.87266 11.46376 
1 1 1   13   15   11 o  315.210   4.9053 15188.75  471.932 15753.02  600.829 14279.89  762.529  320.858   6.1351  305.173   8.1864 15.68552 10.23018 
1 1 1   13   15   12 f  320.574   7.3849 15743.92  722.590 16106.21  862.783 14892.83  1322.41  323.995   8.7246  310.259   13.964 13.73651 16.46586 
1 1 1   13   15   13 o  176.257   4.7295  4748.60  254.436  5007.55  306.051  4169.13  457.827  180.945   5.5415  164.546   9.1520 16.39972 10.69899 
1 1 1   13   15   14 o   42.930   4.5404  284.819   58.592  479.918  404.678  280.642   59.216   57.244   19.420   42.600   4.6286 14.64338 19.96408 
1 1 1   13   15   15 o  200.561   5.4845  6151.91  335.736  6309.91  371.113  5439.70  787.915  203.078   5.9872  187.016   13.903 16.06221 15.13713 
1 1 1   13   15   16 o  184.299   5.3583  5194.30  301.416  5293.12  333.501  4753.58  704.293  186.005   5.8743  174.897   13.293 11.10835 14.53294 
1 1 1   13   15   17 o  332.842   6.5806 16959.90  668.531 18018.94  948.799 15915.70  942.126  342.594   9.0736  321.867   9.5899 20.72641 13.20212 
1 1 1   13   15   18 o   40.094   9.5233  256.840  114.813  282.545  135.413  191.102  216.549   42.044   10.565   38.783   14.117 3.260670 17.63268 
1 1 1   13   15   19 o   50.977   4.5372  400.326   69.857  448.935  772.117  399.925   70.145   66.303   26.061   50.949   4.5589 15.35413 26.45714 
1 1 1   13   15   20 o   47.261   4.2249  344.047   60.302   84.803  729.982  345.828   60.509   57.235   24.218   47.384   4.2282 9.851177 24.58396 
1 1 1   13   15   21 o  190.811   4.9618  5566.94  288.973  5778.89  338.745  5000.45  553.802  194.350   5.7105  180.027   10.120 14.32314 11.61968 
1 1 1   13   15   22 o  177.237   4.1763  4800.55  225.924  4885.87  318.862  4714.54  320.151  178.687   5.8465  175.516   5.9762 3.171341 8.360353 
1 1 1   13   15   23 o  321.529   7.9083 15856.84  776.105 15857.69  842.733 15852.08  1991.50  321.393   8.5909  316.232   20.748 5.160248 22.45606 
1 1 1   13   15   24 o  282.097   5.4306 12174.44  467.589 12292.03  492.366 11093.47  1492.79  283.422   5.6916  265.249   18.555 18.17319 19.40879 
1 1 1   13   15   25 o  170.680   3.5434  4450.61  184.597  4639.61  244.483  4199.96  281.540  174.202   4.5981  165.673   5.5676 8.528961 7.220881 
1 1 1   13   15   26 o   82.376   4.2850  1040.08  107.367  1191.55  124.277  594.333  213.193   88.156   4.6350   61.010   11.876 27.14548 12.74829 
1 1 1   13   15   27 o  318.111   12.009 15649.24  1166.04 15892.92  1461.88 15223.09  1933.24  319.406   14.995  309.223   20.601 10.18289 25.48057 
1 1 1   13   15   28 o  144.859   5.3050  3211.11  234.559  3208.14  259.573  3224.35  547.643  144.748   5.8753  143.731   12.611 1.016495 13.91222 
1 1 1   13   15   29 o  245.675   4.1078  9226.73  308.029  9704.66  397.860  8511.59  486.677  251.832   5.1761  235.620   6.7673 16.21228 8.519834 
1 1 1   13   15   30 o  237.044   5.4602  8602.26  395.053  9307.14  475.626  7034.15  709.412  246.432   6.3234  213.073   10.945 33.35913 12.64048 
1 1 1   13   15   31 o  254.301   6.4892  9915.63  503.679 10103.03  606.057  9497.18  905.634  256.439   7.7431  247.483   11.989 8.955170 14.27220 
1 1 1   13   15   32 o  269.761   12.494 11310.72  1028.72   0.0000   0.0000 11310.72  1028.72  ?   ?   269.761   12.494 0.000000 12.49399 
1 1 1   13   15   33 o   98.893   3.5010  1494.81  105.674  1603.11  185.181  1442.51  128.684  102.090   5.9688   97.107   4.3417 4.983215 7.380859 
1 1 1   13   15   34 o  186.945   3.8068  5343.93  217.217  5330.23  274.184  5367.01  355.965  186.596   4.8142  187.042   6.2352 -0.4455566 7.877453 
1 1 1   13   15   35 o   42.642   5.8307  283.969   73.899  129.525  178.967  315.715   81.140   33.621   12.720   44.964   6.0672 -11.34225 14.09314 
1 1 1   13   15   36 o  107.953   3.4404  1781.83  113.360  1892.20  185.517  1716.07  143.206  111.089   5.4714  105.878   4.4314 5.211220 7.040807 
1 1 1   13   15   37 o   19.569   8.1225   14.574   79.740   7.1602   96.755   30.272  140.788   20.948   8.8376   26.103   10.810 -5.155088 13.96280 
1 1 1   13   15   38 o  139.328   4.0281  2971.59  171.300  2845.98  260.474  3067.32  227.391  136.057   6.2723  141.402   5.2687 -5.344696 8.191487 
1 1 1   13   15   39 o  117.694   4.5665  2123.05  164.042  2423.09  495.783  2086.16  173.833  123.096   13.413  116.631   4.8832 6.465019 14.27397 
1 1 1   13   15   40 o  135.661   4.7000  2822.68  194.611  2796.08  232.684  2884.60  355.031  134.871   5.6524  136.095   8.5909 -1.224182 10.28365 
1 1 1   13   15   41 o  155.820   3.7919  3718.48  180.343  3643.95  280.835  3770.79  235.262  153.847   5.9806  156.723   4.9182 -2.876328 7.743121 
1 1 1   13   15   42 o  124.721   4.4999  2386.72  171.302   0.0000   0.0000  2386.72  171.302  ?   ?   124.721   4.4999 0.000000 4.499940 
1 1 1   13   15   43 o   41.047   6.4742  266.317   78.423   0.0000   0.0000  266.317   78.423  ?   ?    41.047   6.4742 0.000000 6.474174 
1 1 1   13   16    0 o  128.317   5.2134  2527.70  203.417  2527.70  203.417  2527.70  203.417  128.317   5.2134  128.317   5.2134 0.000000 0.000000 
1 1 1   13   16    1 o  300.376   7.4173 13823.45  680.029 13719.09  736.024 14432.05  1777.49  299.134   8.0614  302.946   19.324 -3.811829 20.93803 
1 1 1   13   16    2 o   99.903   8.9057  1543.71  268.712  1500.90  401.041  1578.59  361.987   97.574   13.855  100.491   12.042 -2.916779 18.35658 
1 1 1   13   16    3 o  361.323   8.2408 20020.63  908.834 22023.73  1794.48 19329.57  1054.01  376.626   15.610  354.694   9.7358 21.93137 18.39751 
1 1 1   13   16    4 o  250.441   5.2220  9590.53  399.168 10328.53  595.278  8987.58  538.065  259.629   7.5119  242.219   7.2780 17.40971 10.45932 
1 1 1   13   16    5 o   89.896   13.461  1275.69  357.976   0.0000   0.0000  1275.69  357.976  ?   ?    89.896   13.461 0.000000 13.46076 
1 1 1   13   16    6 o  312.987   20.395 15452.98  1937.73   0.0000   0.0000 15452.98  1937.73  ?   ?   312.987   20.395 0.000000 20.39529 
1 1 1   13   16    9 o  254.550   17.173 10140.90  1326.41   0.0000   0.0000 10140.90  1326.41  ?   ?   254.550   17.173 0.000000 17.17255 
1 1 1   13   16   10 o  163.770   12.922  4167.19  640.701   0.0000   0.0000  4167.19  640.701  ?   ?   163.770   12.922 0.000000 12.92248 
1 1 1   13   16   11 o  128.760   4.3435  2533.64  170.701  2828.33  575.482  2505.21  178.746  134.432   14.242  128.026   4.5742 6.405716 14.95873 
1 1 1   13   16   12 o   54.644   5.1929  460.685   85.569  518.415  108.242  364.490  139.723   57.870   6.2260   47.832   9.8969 10.03862 11.69236 
1 1 1   13   16   13 o  207.708   5.2645  6597.42  333.757  6899.08  399.472  5900.03  607.384  212.324   6.1641  195.616   10.208 16.70726 11.92493 
1 1 1   13   16   14 f  306.164   13.165 14488.34  1230.26 15959.59  1772.67 13121.25  1708.78  318.985   18.283  288.586   19.514 30.39828 26.74117 
1 1 1   13   16   15 o  238.764   17.480  8942.60  1265.02  8942.60  1265.02   0.0000   0.0000  238.764   17.480  ?   ?  0.000000 17.47999 
1 1 1   13   16   16 o  419.155   9.4698 26994.30  1211.52 28043.86  1333.97 22051.80  2894.80  426.984   10.236  370.172   25.782 56.81168 27.73956 
1 1 1   13   16   17 o   87.756   3.2195  1176.22   86.236  1371.53  150.209  1080.21  105.322   94.558   5.2248   84.077   4.1041 10.48018 6.643985 
1 1 1   13   16   18 o  102.585   7.4623  1621.43  232.052  2178.71  912.668  1582.91  239.937  114.240   26.661  101.305   7.8203 12.93488 27.78419 
1 1 1   13   16   19 f  168.925   5.2895  4364.55  272.726  5456.71  1102.21  4293.33  281.478  185.272   19.798  167.525   5.5049 17.74681 20.54867 
1 1 1   13   16   20 o   51.725   7.2537  417.967  111.370  441.693  126.388  335.550  235.563   53.067   8.0563   46.761   14.760 6.305317 16.81538 
1 1 1   13   16   21 o  154.531   3.9445  3649.04  186.048  3728.69  197.742  3034.81  549.138  156.197   4.1477  139.447   13.054 16.75076 13.69698 
1 1 1   13   16   22 o  108.362   4.1297  1794.62  136.586  2081.69  209.913  1583.83  179.872  116.468   5.9245  101.560   5.8270 14.90786 8.309834 
1 1 1   13   16   23 o  193.581   2.9560  5723.30  174.655  6081.39  245.603  5356.94  248.420  199.479   4.0339  187.199   4.3478 12.27994 5.930866 
1 1 1   13   16   24 o  197.651   3.2526  5967.66  196.223  6198.96  230.040  5349.84  375.964  201.414   3.7419  186.861   6.5919 14.55296 7.579935 
1 1 1   13   16   25 o   64.315   12.688  662.422  240.228  658.912  443.862  663.877  285.686   64.577   20.243   64.043   14.896 0.5338745 25.13298 
1 1 1   13   16   26 o  102.501   5.8101  1613.84  181.027  1613.84  181.027   0.0000   0.0000  102.501   5.8101  ?   ?  0.000000 5.810147 
1 1 1   13   16   27 o  103.387   4.1719  1634.17  131.649  1722.57  141.264  1050.33  363.049  106.138   4.3606   80.748   15.290 25.38979 15.89989 
1 1 1   13   16   28 o  288.447   6.3345 12752.28  557.690 13702.76  667.469 10554.34  1015.00  298.789   7.3190  260.711   12.755 38.07785 14.70593 
1 1 1   13   16   29 o   29.359   6.5037  137.344   56.745  154.087  183.647  135.577   59.665   35.217   12.973   29.149   6.8262 6.067823 14.65915 
1 1 1   13   16   30 o   78.342   4.4316  941.811  105.531   0.0000   0.0000  941.811  105.531  ?   ?    78.342   4.4316 0.000000 4.431556 
1 1 1   13   16   31 o   35.307   5.3904  195.288   56.249   0.0000   0.0000  195.288   56.249  ?   ?    35.307   5.3904 0.000000 5.390403 
1 1 1   13   16   32 o  178.503   4.1822  4874.17  227.862  4932.96  254.345  4635.12  512.857  179.528   4.6417  172.907   9.7576 6.620575 10.80537 
1 1 1   13   16   33 f  165.935   3.9911  4211.71  202.135  4280.24  313.763  4163.09  264.287  167.016   6.1550  164.836   5.2530 2.179779 8.091831 
1 1 1   13   16   34 o   70.913   3.5766  770.906   77.164  786.912  123.312  760.604   98.926   71.402   5.7058   70.328   4.6345 1.074081 7.350857 
1 1 1   13   16   35 o   38.363   5.7068  230.695   64.788  313.723  135.085  205.891   73.834   44.093   10.234   35.983   6.9745 8.110283 12.38500 
1 1 1   13   16   36 o  180.720   6.0896  5018.21  335.902   0.0000   0.0000  5018.21  335.902  ?   ?   180.720   6.0896 0.000000 6.089589 
1 1 1   13   16   37 o  172.047   4.6688  4537.12  245.169  4537.12  245.169   0.0000   0.0000  172.047   4.6688  ?   ?  0.000000 4.668762 
1 1 1   13   16   38 o  127.535   6.6181  2512.62  256.733  2512.62  256.733   0.0000   0.0000  127.535   6.6181  ?   ?  0.000000 6.618091 
1 1 1   13   16   39 o  168.791   14.287  4587.25  729.162   0.0000   0.0000  4587.25  729.162  ?   ?   168.791   14.287 0.000000 14.28743 
1 1 1   13   16   40 o   59.046   5.0609  539.445   90.327  405.266  558.439  543.049   91.532   56.411   22.167   59.236   5.1126 -2.825840 22.74867 
1 1 1   13   16   41 o  123.766   5.1210  2354.81  193.452   0.0000   0.0000  2354.81  193.452  ?   ?   123.766   5.1210 0.000000 5.120998 
1 1 1   13   16   42 f   75.675   4.8968  883.807  112.499   0.0000   0.0000  883.807  112.499  ?   ?    75.675   4.8968 0.000000 4.896831 
1 1 1   13   17    0 o  324.629   9.3445 16175.33  924.162 16175.33  924.162 16175.33  924.162  324.629   9.3445  324.629   9.3445 0.000000 0.000000 
1 1 1   13   17    1 o  220.077   10.793  7454.75  724.962  8378.44  1029.80  6547.19  1020.77  232.059   14.614  204.470   16.497 27.58949 22.03849 
1 1 1   13   17    2 o  105.502   6.1469  1709.11  197.083  1504.33  281.455  1906.12  276.058   98.514   9.4774  111.188   8.1921 -12.67389 12.52724 
1 1 1   13   17    3 o   36.871   4.7505  211.240   52.217  227.372   77.343  197.727   70.784   37.944   6.9337   35.343   6.8087 2.601406 9.717767 
1 1 1   13   17    4 o  184.229   9.8421  5231.17  551.428   0.0000   0.0000  5231.17  551.428  ?   ?   184.229   9.8421 0.000000 9.842126 
1 1 1   13   17    5 o  229.922   11.137  8141.66  781.537   0.0000   0.0000  8141.66  781.537  ?   ?   229.922   11.137 0.000000 11.13657 
1 1 1   13   17    6 o   74.368   3.2699  844.692   74.222  795.481  109.671  886.278  100.819   71.955   5.0251   76.028   4.3629 -4.072502 6.654801 
1 1 1   13   17    7 o  374.508   9.1338 21537.45  1044.07 21048.32  1244.48 22700.03  1918.60  369.710   11.028  381.848   16.462 -12.13754 19.81453 
1 1 1   13   17    8 o  168.561   9.7890  4381.54  501.460  3746.20  721.006  4976.83  697.902  154.566   15.491  179.040   12.857 -24.47360 20.13160 
1 1 1   13   17   11 o  340.921   8.9978 17847.20  936.287 17826.87  1032.89 17940.87  2217.32  340.497   9.9385  336.244   21.721 4.252838 23.88692 
1 1 1   13   17   12 f  282.567   18.660 12561.58  1600.28   0.0000   0.0000 12561.58  1600.28  ?   ?   282.567   18.660 0.000000 18.65994 
1 1 1   13   17   13 o  188.489   13.872  5531.61  792.486   0.0000   0.0000  5531.61  792.486  ?   ?   188.489   13.872 0.000000 13.87237 
1 1 1   13   17   14 o  158.555   9.3614  3876.35  451.033  4241.30  718.681  3639.22  579.325  164.758   14.437  152.987   12.516 11.77074 19.10703 
1 1 1   13   17   15 o  269.066   5.4177 11074.56  444.932 11105.87  468.854 10791.02  1410.95  269.412   5.7017  262.070   17.744 7.342255 18.63726 
1 1 1   13   17   16 o  198.243   3.6165  6004.08  218.828  6255.68  286.750  5653.23  338.615  202.284   4.6443  192.206   5.7720 10.07887 7.408468 
1 1 1   13   17   17 o  247.082   9.9165  9392.97  747.857 11216.52  1533.60  8824.04  856.613  266.534   18.975  239.094   11.738 27.43983 22.31238 
1 1 1   13   17   18 o  211.541   6.1109  6850.97  394.562  9601.49  1372.83  6603.31  411.943  246.699   18.363  207.639   6.4999 39.05928 19.47986 
1 1 1   13   17   19 o  159.266   4.7010  3878.50  228.522  3963.20  273.449  3682.36  416.116  160.933   5.5669  154.560   8.8575 6.372696 10.46167 
1 1 1   13   17   20 o  197.746   3.5737  5974.46  215.694  6604.47  292.218  5220.34  319.708  207.833   4.6065  184.686   5.6716 23.14732 7.306625 
1 1 1   13   17   21 o  256.190   5.5422 10044.65  433.377 10529.06  546.265  9221.99  711.887  262.104   6.8283  244.803   9.5275 17.30118 11.72170 
1 1 1   13   17   22 o  255.456   3.9058  9973.52  304.536 10783.46  416.452  9042.59  446.472  265.487   5.1393  243.001   6.0196 22.48544 7.915063 
1 1 1   13   17   23 o  305.741   5.4078 14306.64  504.651 14622.05  556.753 12854.10  1194.78  309.008   5.9030  287.620   13.610 21.38791 14.83482 
1 1 1   13   17   24 o   28.067   6.7009  125.619   56.611  519.849  775.241  123.505   56.763   67.402   26.222   27.831   6.7512 39.57072 27.07744 
1 1 1   13   17   25 o  208.733   5.4662  6670.25  348.254  6831.90  380.356  5832.06  866.120  211.192   5.9006  192.722   14.838 18.47037 15.96841 
1 1 1   13   17   26 o   52.692   4.7198  428.139   75.103  413.654  105.954  442.766  106.471   51.472   6.9195   53.320   6.6894 -1.847839 9.624323 
1 1 1   13   17   27 o   56.665   3.5701  492.689   61.431  596.666  462.890  490.825   61.979   62.260   20.771   56.554   3.6094 5.705410 21.08262 
1 1 1   13   17   28 o  302.094   5.7042 13982.66  525.960 15027.84  677.757 12400.30  833.936  312.842   7.0979  283.450   9.6392 29.39191 11.97055 
1 1 1   13   17   29 o  142.204   8.8891  3129.31  383.887   0.0000   0.0000  3129.31  383.887  ?   ?   142.204   8.8891 0.000000 8.889101 
1 1 1   13   17   30 o  168.920   5.6227  4373.42  289.896  3874.43  1059.79  4413.77  301.391  152.291   23.560  169.671   5.8197 -17.38062 24.26848 
1 1 1   13   17   31 o   58.987   5.1819  537.147   92.351  657.466  469.625  532.307   94.190   64.193   20.898   58.701   5.3147 5.492260 21.56355 
1 1 1   13   17   32 o   51.064   7.0299  408.359  106.662  414.238  114.655  370.556  290.760   51.340   7.5416   49.328   16.463 2.011902 18.10784 
1 1 1   13   17   33 o   40.130   4.2396  249.242   51.143  404.516  111.530  207.899   57.550   50.729   7.4226   36.443   5.3316 14.28643 9.138996 
1 1 1   13   17   34 f   31.916   7.2481  163.120   68.996  114.703  551.042  163.891   69.544   49.942   21.081   31.989   7.2856 17.95334 22.30488 
1 1 1   13   17   35 o  150.144   5.3065  3459.67  243.181  3192.15  909.148  3480.29  252.377  136.561   22.602  150.561   5.4919 -13.99933 23.25994 
1 1 1   13   17   36 o   53.274   7.0858  445.275  112.361  445.275  112.361   0.0000   0.0000   53.274   7.0858  ?   ?  0.000000 7.085831 
1 1 1   13   17   37 f  123.366   6.5107  2352.14  244.287  2352.14  244.287   0.0000   0.0000  123.366   6.5107  ?   ?  0.000000 6.510739 
1 1 1   13   17   38 o   50.072   8.7104  400.633  128.288  398.608  142.960  409.009  290.711   49.693   9.7736   50.477   16.443 -0.7838478 19.12837 
1 1 1   13   17   39 o  182.914   5.9477  5155.53  332.057  5165.91  366.113  5107.40  788.404  182.909   6.5579  177.260   14.705 5.648758 16.10084 
1 1 1   13   17   40 o  105.523   4.4178  1709.08  142.289   0.0000   0.0000  1709.08  142.289  ?   ?   105.523   4.4178 0.000000 4.417821 
1 1 1   13   18    0 o  162.402   9.1693  4076.53  451.196  4076.53  451.196  4076.53  451.196  162.402   9.1693  162.402   9.1693 0.000000 0.000000 
1 1 1   13   18    1 o  155.074   3.7806  3674.07  178.946  3502.33  263.155  3821.80  244.059  151.299   5.6984  158.092   5.0579 -6.792099 7.619352 
1 1 1   13   18    2 o  163.094   5.1945  4067.95  258.585   0.0000   0.0000  4067.95  258.585  ?   ?   163.094   5.1945 0.000000 5.194542 
1 1 1   13   18    3 o  235.259   11.605  8535.31  833.318   0.0000   0.0000  8535.31  833.318  ?   ?   235.259   11.605 0.000000 11.60508 
1 1 1   13   18    4 o  234.053   7.0216  8392.49  501.610   0.0000   0.0000  8392.49  501.610  ?   ?   234.053   7.0216 0.000000 7.021572 
1 1 1   13   18    5 o  292.889   10.749 13210.50  960.905 14120.95  1672.82 12762.15  1173.90  299.716   18.375  287.163   13.393 12.55298 22.73791 
1 1 1   13   18    6 o  187.224   4.3766  5357.58  250.104  4967.10  371.735  5680.52  338.058  180.084   6.7630  192.679   5.7483 -12.59508 8.875909 
1 1 1   13   18    7 o  119.513   4.9149  2183.98  179.286  1848.27  208.210  3146.79  352.604  109.703   6.2440  142.995   8.1122 -33.29160 10.23701 
1 1 1   13   18    8 o  387.057   13.934 23218.87  1646.12 22067.32  2860.84 23788.84  2012.68  370.011   25.487  390.378   16.892 -20.36618 30.57638 
1 1 1   13   18    9 o  124.712   4.4656  2377.40  169.983  2387.70  197.986  2348.50  331.536  124.947   5.1915  123.348   8.8652 1.598679 10.27345 
1 1 1   13   18   10 o  319.389   8.1248 15651.75  792.048 15067.32  943.690 17044.69  1456.90  312.969   9.8790  331.400   14.403 -18.43182 17.46558 
1 1 1   13   18   13 o   78.203   12.219  966.852  282.117   0.0000   0.0000  966.852  282.117  ?   ?    78.203   12.219 0.000000 12.21888 
1 1 1   13   18   14 o  261.507   7.2550 10483.93  579.078 10571.91  644.117 10113.11  1322.42  262.467   8.0403  253.673   17.181 8.794022 18.96919 
1 1 1   13   18   15 o  409.511   7.2596 25711.51  907.393 25670.85  999.909 25901.23  2159.92  408.982   8.0101  406.588   17.405 2.394135 19.15948 
1 1 1   13   18   16 o  174.335   5.7867  4652.23  307.914  4736.92  384.211  4500.19  514.821  175.775   7.1614  170.685   9.9248 5.089172 12.23874 
1 1 1   13   18   17 o  232.917   6.3799  8310.21  453.559 10213.37  1486.71  8114.91  476.263  253.708   19.345  230.108   6.7811 23.59988 20.49873 
1 1 1   13   18   18 o  164.962   4.7420  4161.74  238.763  4339.78  284.465  3737.30  439.221  168.389   5.5347  155.587   9.2914 12.80249 10.81497 
1 1 1   13   18   19 o  115.716   6.5642  2058.55  230.887  2004.33  401.351  2085.37  282.272  113.256   11.783  116.265   8.0030 -3.008942 14.24376 
1 1 1   13   18   20 o  135.218   3.6119  2793.95  149.068  2908.21  175.220  2494.58  283.626  137.925   4.1622  127.302   7.3305 10.62310 8.429696 
1 1 1   13   18   21 o  126.232   3.9236  2435.66  151.173  2325.81  169.098  2872.96  337.379  123.323   4.4924  136.503   8.1346 -13.18044 9.292633 
1 1 1   13   18   22 o  246.033   5.0226  9262.80  377.173  9073.15  415.820 10143.13  895.894  243.422   5.5966  256.016   11.465 -12.59312 12.75806 
1 1 1   13   18   23 o  192.262   4.7502  5655.34  278.754  5999.39  354.207  5095.58  451.805  197.894   5.8642  182.061   8.1305 15.83325 10.02463 
1 1 1   13   18   24 o  119.994   3.9117  2201.28  143.268  2418.56  180.597  1832.38  235.316  125.727   4.7061  109.030   7.1101 16.69781 8.526460 
1 1 1   13   18   25 o  192.361   5.0236  5664.23  294.948  5523.89  377.212  5885.03  473.139  189.766   6.5125  195.632   7.9238 -5.865723 10.25665 
1 1 1   13   18   26 o  126.194   5.3723  2439.23  206.927  2351.99  547.429  2453.77  223.510  121.558   15.078  126.533   5.7873 -4.974968 16.15084 
1 1 1   13   18   27 o   66.592   3.1763  677.661   64.558  638.569  114.368  695.942   78.210   64.271   5.8958   67.356   3.8200 -3.085495 7.025139 
1 1 1   13   18   28 o  224.971   4.6677  7747.77  320.515  8072.87  517.847  7545.90  408.071  229.110   7.4053  221.794   6.0279 7.316193 9.548494 
1 1 1   13   18   29 o  208.890   9.2681  6745.10  590.914  7099.34  1244.83  6642.06  671.378  208.879   19.760  206.595   10.684 2.283463 22.46337 
1 1 1   13   18   30 o   37.068   4.7766  213.908   52.785  220.819   93.464  210.671   63.962   37.102   8.4432   36.592   5.9299 0.5104942 10.31749 
1 1 1   13   18   31 o   15.903   6.3334   19.743   46.159   5.7983   78.179   27.206   57.193   18.854   7.9487   17.914   7.0764 0.9408531 10.64227 
1 1 1   13   18   32 o  205.745   10.790  6617.04  675.249  7510.59  1006.71  5886.24  910.427  216.686   15.320  191.484   15.716 25.20242 21.94769 
1 1 1   13   18   33 o   41.261   9.2053  274.373  112.985  306.845  125.671  137.459  258.051   43.601   9.6943   37.928   15.016 5.672298 17.87338 
1 1 1   13   18   34 o   38.287   5.1860  229.059   59.044  197.137  124.718  238.280   67.031   35.332   10.668   38.952   5.8162 -3.619823 12.15095 
1 1 1   13   18   35 o  192.813   5.4858  5713.99  322.845  5950.44  358.637  4703.60  741.360  196.632   5.9756  170.936   14.342 25.69669 15.53718 
1 1 1   13   18   36 o   66.468   7.5475  692.380  150.404  692.380  150.404   0.0000   0.0000   66.468   7.5475  ?   ?  0.000000 7.547452 
1 1 1   13   18   37 o  141.468   5.3063  3077.74  229.121  3138.97  252.934  2797.73  540.898  142.761   5.8047  131.478   13.679 11.28279 14.85955 
1 1 1   13   18   38 o   94.244   11.681  1428.07  328.802  1373.17  623.706  1449.20  386.937   86.697   23.139   93.991   13.908 -7.293213 26.99663 
1 1 1   13   19    1 o  428.496   10.872 28301.61  1421.89   0.0000   0.0000 28301.61  1421.89  ?   ?   428.496   10.872 0.000000 10.87186 
1 1 1   13   19    2 o  496.905   21.282 39131.77  3227.78   0.0000   0.0000 39131.77  3227.78  ?   ?   496.905   21.282 0.000000 21.28206 
1 1 1   13   19    3 o  204.647   6.2419  6412.67  389.889  7602.09  965.862  6181.12  426.152  220.799   14.411  200.839   6.9518 19.95999 16.00002 
1 1 1   13   19    4 o  215.891   6.0577  7135.39  399.168  6644.96  471.357  8378.90  750.554  208.177   7.4182  233.208   10.544 -25.03134 12.89240 
1 1 1   13   19    5 f   71.926   4.2512  793.504   92.915  372.452  319.176  832.490   97.121   50.605   17.247   73.671   4.3383 -23.06594 17.78382 
1 1 1   13   19    6 o  378.570   8.8000 22018.30  1016.82 22359.91  1211.37 21203.52  1870.82  380.987   10.417  368.352   16.640 12.63425 19.63173 
1 1 1   13   19    7 o   64.482   3.7758  637.500   73.988  680.091  110.513  602.903   99.605   66.442   5.4989   62.558   5.2655 3.884640 7.613341 
1 1 1   13   19    8 o  250.263   9.7560  9638.48  745.217  9461.06  1303.91  9724.55  908.154  245.106   17.545  250.879   11.860 -5.773270 21.17757 
1 1 1   13   19    9 o   82.966   3.2628  1051.47   82.623  1019.10  125.908  1075.95  109.496   81.466   5.0891   83.787   4.2960 -2.321693 6.659940 
1 1 1   13   19   10 o  272.855   12.929 11533.35  1076.71 11030.76  1535.88 12019.06  1509.85  263.865   19.202  276.083   18.016 -12.21799 26.33066 
1 1 1   13   19   11 o   37.012   7.4351  217.581   81.078  204.184   86.548  313.625  231.731   35.766   8.1143   45.468   14.670 -9.701515 16.76462 
1 1 1   13   19   12 o  180.803   4.1901  4996.97  231.233  5618.41  330.299  4399.67  323.822  191.589   5.6483  169.483   6.2598 22.10550 8.431458 
1 1 1   13   19   13 o  254.920   8.2753  9981.68  643.878  9981.68  643.878   0.0000   0.0000  254.920   8.2753  ?   ?  0.000000 8.275266 
1 1 1   13   19   14 o  148.131   7.2375  3365.66  327.230  3365.66  327.230   0.0000   0.0000  148.131   7.2375  ?   ?  0.000000 7.237532 
1 1 1   13   19   15 o  242.853   7.9847  9057.30  591.862  9057.30  591.862   0.0000   0.0000  242.853   7.9847  ?   ?  0.000000 7.984728 
1 1 1   13   19   16 o   47.411   9.4703  358.199  132.248  462.938  216.198  295.577  167.171   53.561   13.288   43.111   12.171 10.45053 18.01997 
1 1 1   13   19   17 o  295.968   6.7619 13431.74  610.844 13526.93  713.388 13170.18  1182.55  296.765   7.8758  291.104   13.309 5.661407 15.46496 
1 1 1   13   19   18 o  159.438   9.0078  3925.18  436.564  4050.33  584.899  3767.76  655.989  161.260   11.969  154.915   14.026 6.345139 18.43820 
1 1 1   13   19   19 o   59.884   3.6307  550.083   66.049  599.082  103.722  516.662   85.663   62.309   5.5107   57.904   4.8928 4.405289 7.369312 
1 1 1   13   19   20 o  157.158   3.6886  3775.11  176.937  3953.14  198.387  3082.77  391.221  160.796   4.0422  141.173   9.1282 19.62262 9.983155 
1 1 1   13   19   21 o  311.083   5.4355 14820.08  516.100 15945.29  746.640 13790.56  714.191  322.144   7.5935  299.529   7.8119 22.61484 10.89440 
1 1 1   13   19   22 o  200.929   6.3768  6192.06  391.080  6038.98  431.650  6893.55  923.996  198.307   7.1314  209.366   14.550 -11.05943 16.20337 
1 1 1   13   19   23 f  195.793   5.4754  5872.77  327.211  5823.68  389.536  5990.44  603.062  194.812   6.5511  196.599   10.084 -1.787476 12.02502 
1 1 1   13   19   24 o   46.112   9.0877  339.248  123.356  392.481  352.154  331.803  131.701   51.947   18.098   45.488   9.7768 6.458981 20.56962 
1 1 1   13   19   25 o   92.783   3.0664  1315.51   86.838  1251.64  143.229  1352.63  109.197   90.240   5.2225   94.049   3.8040 -3.809372 6.461018 
1 1 1   13   19   26 o  178.771   4.8649  4894.46  265.455  5014.78  357.767  4747.10  395.950  180.708   6.4864  175.658   7.3851 5.050812 9.829206 
1 1 1   13   19   27 o  116.577   5.4797  2083.83  194.979  1854.50  255.740  2402.18  301.314  109.461   7.7037  124.593   7.9650 -15.13213 11.08097 
1 1 1   13   19   28 o   70.723   3.2556  764.688   70.277  1115.95  190.206  709.156   75.629   84.806   7.4230   67.993   3.6576 16.81247 8.275210 
1 1 1   13   19   29 o  254.616   5.1164  9940.23  397.620 10290.25  524.385  9466.74  609.889  258.645   6.6425  247.617   8.0696 11.02821 10.45184 
1 1 1   13   19   30 o   18.293   7.2592   27.406   60.441   57.673  344.043   26.442   61.395   39.619   16.687   18.324   7.3022 21.29484 18.21488 
1 1 1   13   19   31 o  163.299   3.5061  4080.06  174.752  4174.41  288.812  4025.57  219.490  164.823   5.7409  162.081   4.4368 2.742157 7.255547 
1 1 1   13   19   32 o   63.018   4.4338  611.708   84.738  629.185   95.861  549.236  181.238   63.844   4.9583   58.430   10.551 5.413185 11.65755 
1 1 1   13   19   33 o   62.146   6.6008  602.094  123.290  771.419  173.876  430.876  174.844   70.054   8.2928   51.374   11.444 18.67982 14.13260 
1 1 1   13   19   34 o   78.357   4.8419  946.226  115.233  977.201  127.787  811.411  266.597   79.560   5.2925   70.447   12.873 9.112831 13.91859 
1 1 1   13   19   35 o   77.568   4.8466  927.727  114.170  964.408  126.787  770.456  262.527   79.016   5.2876   68.458   13.040 10.55801 14.07152 
1 1 1   13   19   36 o  104.221   7.5220  1693.62  237.673  2111.07  554.932  1599.84  263.017  112.162   16.721  100.943   8.6193 11.21911 18.81153 
1 1 1   13   19   37 o   51.312   7.8799  418.506  119.467  430.953  133.385  368.031  268.610   51.864   8.7365   47.831   15.816 4.033180 18.06898 
1 1 1   13   20    1 o  435.442   12.191 29344.75  1620.22 29344.75  1620.22   0.0000   0.0000  435.442   12.191  ?   ?  0.000000 12.19063 
1 1 1   13   20    2 o  414.124   14.582 26701.93  1843.13 27723.17  3197.54 26193.77  2255.55  413.001   25.490  407.975   18.113 5.026093 31.27070 
1 1 1   13   20    3 o  232.403   5.0467  8262.79  357.987  7763.68  505.973  8763.07  506.569  224.967   7.3687  239.077   6.9420 -14.11069 10.12369 
1 1 1   13   20    4 o  334.131   8.2061 17148.14  836.893 16526.76  994.232 18658.73  1550.18  327.529   9.9454  346.105   14.674 -18.57599 17.72694 
1 1 1   13   20    5 o  147.515   7.4927  3347.38  336.250  2477.34  570.610  3810.22  416.189  125.150   15.254  157.198   8.7081 -32.04852 17.56423 
1 1 1   13   20    6 o  250.547   6.4975  9619.37  496.878  9421.49  588.819 10108.81  926.024  247.736   7.7871  255.623   11.869 -7.887222 14.19530 
1 1 1   13   20    7 o  130.252   7.4804  2611.83  296.142  2438.04  523.192  2693.76  359.227  124.459   14.017  132.039   8.9666 -7.580826 16.63937 
1 1 1   13   20    8 o  167.067   4.1122  4266.75  209.691  4146.13  298.447  4384.36  294.686  164.538   5.9427  169.223   5.7054 -4.684174 8.238135 
1 1 1   13   20    9 f  100.161   9.3093  1557.32  281.342  1282.62  429.908  1763.09  372.083   89.173   16.400  106.144   11.678 -16.97143 20.13257 
1 1 1   13   20   10 o  118.905   3.5317  2160.42  128.175  1978.62  193.403  2302.81  171.163  113.684   5.5737  122.708   4.5700 -9.023911 7.207755 
1 1 1   13   20   11 o  158.069   4.7991  3822.25  231.539  3886.04  273.418  3660.51  435.335  159.312   5.6229  153.908   9.3109 5.403793 10.87708 
1 1 1   13   20   12 o  122.727   8.6069  2327.69  320.368   0.0000   0.0000  2327.69  320.368  ?   ?   122.727   8.6069 0.000000 8.606949 
1 1 1   13   20   13 o   88.219   4.2396  1190.02  114.157   0.0000   0.0000  1190.02  114.157  ?   ?    88.219   4.2396 0.000000 4.239554 
1 1 1   13   20   14 o  240.156   5.7151  8833.54  418.919  9570.71  517.165  7426.85  714.407  249.792   6.7832  219.228   10.677 30.56462 12.64917 
1 1 1   13   20   15 o  138.836   5.9925  2953.59  253.938  3068.83  303.159  2682.60  464.899  141.412   7.0237  131.063   11.746 10.34840 13.68587 
1 1 1   13   20   16 o  219.687   7.6613  7415.56  513.718  7415.56  513.718   0.0000   0.0000  219.687   7.6613  ?   ?  0.000000 7.661324 
1 1 1   13   20   17 o  178.277   7.1941  4880.40  391.460  4880.40  391.460   0.0000   0.0000  178.277   7.1941  ?   ?  0.000000 7.194094 
1 1 1   13   20   19 o  103.561   4.3110  1640.61  136.268  1680.60  160.892  1539.15  256.299  104.770   5.0313   99.613   8.5115 5.157547 9.887330 
1 1 1   13   20   20 o  249.087   6.2267  9517.39  473.398  9575.67  564.154  9378.70  870.326  249.584   7.4057  245.715   11.605 3.868622 13.76634 
1 1 1   13   20   21 o  175.871   5.3704  4739.14  288.283  4783.18  318.830  4541.78  674.935  176.611   5.9146  170.039   13.106 6.572205 14.37844 
1 1 1   13   20   22 o   57.279   7.2739  512.421  124.301  343.692  194.760  628.387  161.462   46.277   13.163   63.274   8.5819 -16.99713 15.71309 
1 1 1   13   20   23 o  247.255   4.2147  9355.03  318.073  9098.21  422.784  9689.96  482.815  243.570   5.6869  251.228   6.2965 -7.657974 8.484492 
1 1 1   13   20   24 o  161.874   3.9367  4008.78  194.504  4021.21  227.222  3974.73  376.245  162.052   4.5939  160.631   7.6740 1.420944 8.943955 
1 1 1   13   20   25 o  112.313   4.0510  1930.41  138.871  1908.20  920.400  1930.93  140.479  103.164   28.353  112.325   4.0975 -9.160561 28.64803 
1 1 1   13   20   26 o  222.303   7.8361  7624.73  531.697  8147.14  1302.66  7520.30  582.420  223.047   19.325  220.512   8.6534 2.534683 21.17441 
1 1 1   13   20   27 o  105.666   3.4038  1707.74  109.779  1748.27  130.090  1607.51  204.601  106.869   3.9882  101.999   6.6075 4.869987 7.717819 
1 1 1   13   20   28 o  193.182   4.6024  5720.04  271.374  6166.69  871.661  5672.10  285.567  196.273   14.656  192.322   4.8648 3.950790 15.44225 
1 1 1   13   20   29 o  159.710   3.5037  3903.18  170.796  3869.44  207.231  3974.65  301.589  158.915   4.2724  160.718   6.1480 -1.803268 7.486762 
1 1 1   13   20   30 o   21.345   7.9083   55.090   68.430   52.764   78.353   62.568  140.487   22.021   8.3962   27.573   11.027 -5.552076 13.85948 
1 1 1   13   20   31 o   90.805   2.5981  1260.49   72.009  1309.81  116.706  1230.18   91.504   92.444   4.1362   89.657   3.3438 2.787491 5.318718 
1 1 1   13   20   32 o  132.026   3.5456  2669.10  142.879  2604.43  217.974  2717.81  189.192  130.112   5.4887  133.063   4.6583 -2.950974 7.198992 
1 1 1   13   20   33 o  135.850   14.842  3021.05  605.398  3021.05  605.398   0.0000   0.0000  135.850   14.842  ?   ?  0.000000 14.84185 
1 1 1   13   20   34 o   89.276   5.3080  1230.91  143.988  1230.91  143.988   0.0000   0.0000   89.276   5.3080  ?   ?  0.000000 5.308046 
1 1 1   13   21    0 o  151.535   14.159  3630.90  641.732  3630.90  641.732  3630.90  641.732  151.535   14.159  151.535   14.159 0.000000 0.000000 
1 1 1   13   21    1 o  195.240   4.5112  5830.23  268.832  5248.99  380.151  6411.70  380.221  185.002   6.7323  204.559   6.0897 -19.55713 9.077909 
1 1 1   13   21    4 o  224.329   11.488  7810.86  783.925  7828.62  1110.71  7793.23  1106.57  222.642   16.461  222.146   16.437 0.4951477 23.26261 
1 1 1   13   21    5 o  171.132   4.0578  4477.58  211.955  3982.70  310.671  4908.50  289.904  161.190   6.3146  179.063   5.3044 -17.87282 8.246844 
1 1 1   13   21    6 o  354.346   15.946 19707.02  1724.67 19505.89  2443.78 19906.59  2434.33  346.559   23.238  350.429   22.885 -3.870087 32.61467 
1 1 1   13   21    7 o  310.898   8.0253 14858.50  761.544 15018.67  837.506 14093.76  1830.01  312.346   8.7849  296.431   20.349 15.91486 22.16461 
1 1 1   13   21    8 o  154.419   5.1040  3649.94  240.564  3864.85  640.195  3614.60  259.589  156.967   13.494  153.630   5.5360 3.337021 14.58511 
1 1 1   13   21    9 o   77.434   4.4408  920.150  104.518  917.632  118.832  928.757  219.659   77.263   5.0670   77.035   9.5466 0.2275925 10.80795 
1 1 1   13   21   10 o  194.910   5.4047  5817.67  321.533  5740.54  380.592  6009.97  600.947  193.473   6.4450  197.034   10.026 -3.560745 11.91859 
1 1 1   13   21   11 o  208.412   10.649  6735.99  675.166   0.0000   0.0000  6735.99  675.166  ?   ?   208.412   10.649 0.000000 10.64935 
1 1 1   13   21   12 o   26.414   10.797   39.651  138.079   0.0000   0.0000   39.651  138.079  ?   ?    26.414   10.797 0.000000 10.79685 
1 1 1   13   21   13 o  121.452   8.8416  2284.88  325.506  2300.91  510.619  2273.90  422.477  120.520   14.150  120.515   11.630 0.4898071E-02 18.31616 
1 1 1   13   21   14 o  106.382   3.2625  1729.50  105.934  1817.58  163.721  1666.07  138.937  108.962   4.9228  104.357   4.3620 4.605560 6.577263 
1 1 1   13   21   15 o  102.724   7.2210  1629.34  224.966  1463.80  436.438  1689.24  262.530   95.312   15.538  104.411   8.3065 -9.099274 17.61868 
1 1 1   13   21   16 o   96.410   4.3430  1422.16  127.798  1389.71  149.359  1510.83  246.922   95.115   5.1641   98.701   8.2727 -3.586220 9.752219 
1 1 1   13   21   17 o  150.824   5.4341  3486.03  250.160  3377.31  275.829  3989.92  593.827  148.374   6.0907  159.559   12.288 -11.18486 13.71448 
1 1 1   13   21   18 o   73.308   10.931  851.708  237.098   0.0000   0.0000  851.708  237.098  ?   ?    73.308   10.931 0.000000 10.93054 
1 1 1   13   21   19 o   62.877   12.082  636.263  223.441  636.263  223.441   0.0000   0.0000   62.877   12.082  ?   ?  0.000000 12.08177 
1 1 1   13   21   20 o  111.249   29.277  2221.09  1007.60  2221.09  1007.60   0.0000   0.0000  111.249   29.277  ?   ?  0.000000 29.27657 
1 1 1   13   21   21 o   89.439   14.724  1294.10  387.967  1201.20  966.436  1311.95  423.598   84.718   29.946   89.614   16.078 -4.895897 33.98886 
1 1 1   13   21   22 o   89.544   4.2349  1227.51  115.744  1243.44  121.968  1083.26  367.019   90.110   4.4346   81.404   15.334 8.705681 15.96240 
1 1 1   13   21   23 o  270.525   5.8498 11239.18  483.021 11710.94  607.830 10430.76  795.685  275.691   7.2234  259.028   10.064 16.66364 12.38810 
1 1 1   13   21   24 f   15.982   7.2400 -43.0358   76.069 -231.2082  208.087 -14.0099   81.726   23.408   11.062   18.131   7.8923 5.276115 13.58913 
1 1 1   13   21   25 o  288.807   8.5721 12923.53  755.633 13420.60  1903.63 12830.56  823.271  281.714   22.322  287.337   9.3872 -5.623047 24.21520 
1 1 1   13   21   26 o  228.848   4.9258  8035.30  344.069  8226.18  453.842  7777.30  527.624  231.116   6.4337  224.280   7.7076 6.835724 10.03983 
1 1 1   13   21   27 o   67.272   3.6740  694.883   75.153  748.442   95.004  605.327  122.851   69.723   4.4881   62.333   6.5554 7.390228 7.944597 
1 1 1   13   21   28 o  164.414   3.8947  4141.01  195.447  4543.14  303.931  3857.46  255.215  171.818   5.7955  158.435   5.2776 13.38341 7.838435 
1 1 1   13   21   29 o   98.943   4.1110  1500.72  124.152  1472.41  131.473  1733.82  377.315   97.974   4.3965  103.965   12.118 -5.991043 12.89075 
1 1 1   13   21   30 o  125.631   5.3654  2428.15  205.738  2428.15  205.738   0.0000   0.0000  125.631   5.3654  ?   ?  0.000000 5.365390 
1 1 1   13   21   31 o  176.016   9.9534  4881.34  532.545  5144.58  790.597  4662.70  720.534  177.481   14.727  169.407   14.062 8.073730 20.36272 
1 1 1   13   21   32 o   82.744   4.7998  1055.87  120.701  1056.92  132.506  1050.75  292.527   82.696   5.2772   80.293   12.331 2.403336 13.41238 
1 1 1   13   22    0 o  202.103   6.5791  6269.68  404.866  6269.68  404.866  6269.68  404.866  202.103   6.5791  202.103   6.5791 0.000000 0.000000 
1 1 1   13   22    1 o  504.802   22.577 41416.17  3478.56 40602.36  4919.79 42229.73  4919.05  481.448   33.692  492.460   32.916 -11.01141 47.10189 
1 1 1   13   22    2 o  323.226   9.3640 16122.78  923.815 16122.78  923.815   0.0000   0.0000  323.226   9.3640  ?   ?  0.000000 9.364008 
1 1 1   13   22    3 o  299.328   20.388 14458.34  1851.61 14458.34  1851.61   0.0000   0.0000  299.328   20.388  ?   ?  0.000000 20.38829 
1 1 1   13   22    4 o  244.584   7.4950  9195.68  559.520  9195.68  559.520   0.0000   0.0000  244.584   7.4950  ?   ?  0.000000 7.494985 
1 1 1   13   22    5 f  370.871   24.847 22755.15  2796.38 22755.15  2796.38   0.0000   0.0000  370.871   24.847  ?   ?  0.000000 24.84708 
1 1 1   13   22    6 o   91.931   5.3619  1299.01  149.800  1299.01  149.800   0.0000   0.0000   91.931   5.3619  ?   ?  0.000000 5.361918 
1 1 1   13   22    7 o  219.741   5.9329  7403.61  397.919  7410.83  1061.90  7402.43  429.192  216.061   16.221  219.639   6.4021 -3.578629 17.43844 
1 1 1   13   22    8 o  175.287   5.0511  4705.24  270.239  4629.27  316.077  4911.67  521.034  173.749   5.9601  178.036   9.6240 -4.287781 11.32010 
1 1 1   13   22    9 o  256.579   12.233 10253.66  957.985   0.0000   0.0000 10253.66  957.985  ?   ?   256.579   12.233 0.000000 12.23267 
1 1 1   13   22   10 o  240.428   6.8469  8879.73  502.452   0.0000   0.0000  8879.73  502.452  ?   ?   240.428   6.8469 0.000000 6.846880 
1 1 1   13   22   11 o  292.407   7.3186 13148.53  653.184 12950.90  777.462 13622.79  1204.35  289.714   8.7921  295.022   13.375 -5.308105 16.00566 
1 1 1   13   22   12 o  109.502   4.3132  1834.89  144.157  1863.46  167.400  1752.88  283.580  110.302   4.9723  106.214   8.8273 4.087471 10.13140 
1 1 1   13   22   13 o  275.990   7.3340 11718.49  617.804 10954.85  734.311 13568.72  1143.01  266.293   9.0345  294.620   12.711 -28.32706 15.59432 
1 1 1   13   22   14 o  217.854   8.9808  7333.36  597.167  7398.39  1053.53  7302.58  724.860  215.346   16.146  216.464   11.007 -1.118271 19.54116 
1 1 1   13   22   15 o  138.924   4.4652  2954.76  189.338  2982.87  220.596  2876.12  368.974  139.507   5.1807  136.136   8.9294 3.370926 10.32341 
1 1 1   13   22   16 o  284.440   9.5722 12534.22  831.036 12794.59  1233.31 12317.69  1124.71  284.848   14.185  280.121   13.155 4.726715 19.34605 
1 1 1   13   22   17 o  208.181   5.3774  6646.94  341.692  6713.42  400.788  6470.03  653.778  209.032   6.2818  203.707   10.551 5.325180 12.27957 
1 1 1   13   22   18 o  163.382   4.2886  4087.13  213.863  4065.01  227.397  4256.51  629.292  162.902   4.5734  164.228   12.652 -1.325958 13.45282 
1 1 1   13   22   19 o  101.332   3.7564  1571.17  116.181  1614.03  129.671  1396.70  261.604  102.676   4.1377   94.499   9.1859 8.176674 10.07480 
1 1 1   13   22   20 o  177.464   6.8466  4850.45  370.853  4644.76  420.443  5571.36  787.119  173.387   7.9446  187.109   13.881 -13.72208 15.99412 
1 1 1   13   22   21 o  137.166   10.594  2953.93  440.111  3155.31  1034.62  2909.44  486.304  132.957   26.426  135.645   11.865 -2.688721 28.96743 
1 1 1   13   22   22 o  113.270   7.8807  1993.66  270.759  2304.94  988.498  1968.41  281.525  111.172   28.873  112.448   8.2603 -1.275978 30.03172 
1 1 1   13   22   23 o   82.274   6.0208  1047.05  150.144  1203.69  237.178  942.297  193.954   87.564   9.0025   77.540   8.3255 10.02457 12.26208 
1 1 1   13   22   24 o   35.914   6.8253  205.487   72.082  184.329   81.660  280.148  153.398   33.826   8.0296   41.557   11.633 -7.731293 14.13537 
1 1 1   13   22   25 o  205.286   4.0279  6458.07  252.380  6768.74  280.724  5148.49  576.369  210.087   4.3779  180.869   10.485 29.21739 11.36267 
1 1 1   13   22   26 o   56.472   10.611  516.426  176.180  610.793  340.435  481.908  205.896   60.026   17.503   54.008   12.703 6.017506 21.62728 
1 1 1   13   22   27 o   64.228   5.0340  637.897   97.896  667.336  106.154  470.456  253.165   65.649   5.3441   53.053   14.978 12.59583 15.90291 
1 1 1   13   22   28 o  106.828   3.4153  1747.72  111.363  1637.59  171.952  1827.29  146.155  102.982   5.4903  109.110   4.3887 -6.127434 7.028801 
1 1 1   13   22   29 o   90.350   4.1317  1252.46  113.940  1365.06  134.430  965.211  214.714   94.254   4.6728   78.004   9.1950 16.24968 10.31420 
1 1 1   13   23    2 o  290.397   20.053 13720.14  1766.51 13720.14  1766.51   0.0000   0.0000  290.397   20.053  ?   ?  0.000000 20.05278 
1 1 1   13   23    3 o  110.824   4.8380  1881.18  163.650   0.0000   0.0000  1881.18  163.650  ?   ?   110.824   4.8380 0.000000 4.837983 
1 1 1   13   23    4 o  113.453   8.6891  1998.75  298.605  2340.89  486.122  1791.43  378.411  121.510   13.326  106.573   11.833 14.93650 17.82143 
1 1 1   13   23    5 o   34.620   8.0276  192.085   83.176  178.905   89.459  276.162  225.941   33.424   8.6885   43.064   14.511 -9.639805 16.91362 
1 1 1   13   23    6 o  279.579   7.5704 12037.97  646.009 12301.10  1588.15 11985.80  707.156  275.532   19.000  278.712   8.3127 -3.180542 20.73933 
1 1 1   13   23    7 o  129.441   15.377  2687.30  595.630   0.0000   0.0000  2687.30  595.630  ?   ?   129.441   15.377 0.000000 15.37684 
1 1 1   13   23    8 o   72.281   16.552  863.869  357.293   0.0000   0.0000  863.869  357.293  ?   ?    72.281   16.552 0.000000 16.55158 
1 1 1   13   23    9 o  175.829   5.7750  4744.52  309.926  4489.22  335.185  6249.37  813.787  170.920   6.4250  198.932   13.482 -28.01201 14.93491 
1 1 1   13   23   10 o  368.254   13.430 21336.24  1509.57 21316.71  2620.63 21345.94  1846.74  355.585   24.291  365.500   16.554 -9.914612 29.39564 
1 1 1   13   23   11 o  244.097   6.3019  9156.55  469.519  8792.49  555.714 10064.73  877.714  238.812   7.6239  253.962   11.323 -15.15060 13.65054 
1 1 1   13   23   12 o  195.673   5.4163  5874.11  323.484  5737.53  873.799  5895.80  348.225  189.430   15.242  195.954   5.8222 -6.523560 16.31600 
1 1 1   13   23   13 o   22.366   7.5561   71.857   61.262   62.607   67.003  118.997  151.257   21.912   7.8699   31.411   11.734 -9.499132 14.12853 
1 1 1   13   23   14 o  179.699   7.9802  4988.38  437.698  4795.67  775.173  5078.58  530.329  173.102   14.814  180.567   9.6576 -7.464401 17.68425 
1 1 1   13   23   15 o  348.068   8.3850 18747.81  890.806 18812.36  1061.92 18594.52  1636.50  347.649   10.008  340.763   15.734 6.886200 18.64728 
1 1 1   13   23   16 o  186.926   3.7238  5347.75  212.458  5331.05  270.678  5374.56  342.888  186.466   4.7559  186.966   6.0086 -0.4999390 7.663052 
1 1 1   13   23   17 o  115.706   6.5392  2068.36  229.993  2033.19  284.860  2134.22  389.807  114.312   8.2193  116.228   11.124 -1.915810 13.83110 
1 1 1   13   23   18 o  200.268   5.4702  6162.07  334.374  5989.79  391.618  6625.57  642.335  197.175   6.5072  205.956   10.218 -8.780792 12.11416 
1 1 1   13   23   19 o  184.281   6.7274  5237.74  378.392  5141.73  674.548  5281.83  457.081  179.974   12.354  184.615   8.1117 -4.640366 14.77943 
1 1 1   13   23   20 o   44.991   7.5392  321.354   99.867  407.135  209.542  296.143  113.598   49.709   13.474   42.861   8.9713 6.847374 16.18715 
1 1 1   13   23   21 o  159.627   4.9679  3913.34  242.045  4201.04  337.566  3608.90  347.245  164.963   6.7043  152.691   7.4509 12.27223 10.02312 
1 1 1   13   23   22 f   94.566   5.7440  1381.81  165.009  1468.46  242.470  1307.06  225.201   96.869   8.2804   91.386   8.1595 5.482513 11.62506 
1 1 1   13   23   23 o  151.411   9.3074  3596.47  428.051   0.0000   0.0000  3596.47  428.051  ?   ?   151.411   9.3074 0.000000 9.307421 
1 1 1   13   23   24 f  137.802   8.6555  2972.77  362.205   0.0000   0.0000  2972.77  362.205  ?   ?   137.802   8.6555 0.000000 8.655499 
1 1 1   13   23   25 o  139.356   12.988  3139.95  546.072   0.0000   0.0000  3139.95  546.072  ?   ?   139.356   12.988 0.000000 12.98795 
1 1 1   13   23   26 o  127.635   9.3511  2568.45  361.757  2609.94  553.961  2537.61  477.676  125.801   14.704  125.217   12.673 0.5846558 19.41192 
1 1 1   13   24    0 o  301.915   8.8356 14042.90  812.630 14042.90  812.630 14042.90  812.630  301.915   8.8356  301.915   8.8356 0.000000 0.000000 
1 1 1   13   24    1 o  196.173   15.075  6160.41  895.722  6160.41  895.722   0.0000   0.0000  196.173   15.075  ?   ?  0.000000 15.07485 
1 1 1   13   24    2 o  163.205   5.3618  4087.48  267.092  4678.94  694.177  3984.70  289.368  171.705   13.351  161.049   5.8868 10.65622 14.59077 
1 1 1   13   24    3 f  145.156   5.0405  3231.44  223.320  3237.89  243.858  3197.87  555.962  145.233   5.5012  141.920   12.978 3.313309 14.09614 
1 1 1   13   24    4 o  299.055   8.1230 13825.07  741.457 15250.97  1810.74 13537.82  812.716  304.390   19.594  295.497   9.0109 8.892914 21.56658 
1 1 1   13   24    5 o   78.106   12.918  984.468  297.201   0.0000   0.0000  984.468  297.201  ?   ?    78.106   12.918 0.000000 12.91826 
1 1 1   13   24    6 o  187.376   9.8324  5476.15  560.365   0.0000   0.0000  5476.15  560.365  ?   ?   187.376   9.8324 0.000000 9.832417 
1 1 1   13   24    7 o  264.533   5.4891 10745.04  443.197 11442.28  629.697 10060.58  623.893  272.228   7.5785  255.089   8.0131 17.13911 11.02920 
1 1 1   13   24    8 o  177.992   15.213  5098.48  818.538  5098.48  818.538   0.0000   0.0000  177.992   15.213  ?   ?  0.000000 15.21295 
1 1 1   13   24    9 o  149.409   5.5495  3429.02  253.074  3429.02  253.074   0.0000   0.0000  149.409   5.5495  ?   ?  0.000000 5.549488 
1 1 1   13   24   10 o  118.696   9.5592  2206.03  343.383  1783.53  485.377  2629.37  485.856  104.367   15.725  128.533   12.544 -24.16566 20.11558 
1 1 1   13   24   11 o  174.984   5.5164  4704.60  294.626  4687.52  320.311  4798.42  750.909  174.555   6.0120  172.871   14.361 1.684326 15.56905 
1 1 1   13   24   12 o   69.642   4.8938  747.843  103.365  747.843  103.365   0.0000   0.0000   69.642   4.8938  ?   ?  0.000000 4.893837 
1 1 1   13   24   13 o   33.853   4.0203  178.013   40.729  242.855   69.409  143.961   50.299   39.291   5.9760   30.115   5.6805 9.176235 8.245057 
1 1 1   13   24   14 o  170.025   5.4318  4443.50  281.886  4419.07  309.836  4560.86  679.139  169.426   5.9915  168.823   13.287 0.6024017 14.57557 
1 1 1   13   24   15 o  139.924   8.8275  3057.91  375.074  3153.28  561.959  2981.30  503.684  140.110   13.300  136.748   12.196 3.361298 18.04508 
1 1 1   13   24   16 o   89.605   4.3217  1231.31  118.198  1250.94  130.214  1139.44  281.702   90.149   4.7492   84.370   11.217 5.778648 12.18116 
1 1 1   13   24   17 o  118.357   5.2727  2153.91  190.480  2193.31  246.577  2095.61  299.960  118.949   6.8201  115.747   8.5511 3.202171 10.93777 
1 1 1   13   24   18 o  208.619   4.1936  6674.63  267.031  6775.46  309.602  6381.73  527.668  210.021   4.8297  202.435   8.5400 7.585724 9.811120 
1 1 1   13   24   19 o  158.198   7.4486  3880.91  359.660   0.0000   0.0000  3880.91  359.660  ?   ?   158.198   7.4486 0.000000 7.448576 
1 1 1   13   24   20 o  162.186   9.0195  4124.42  444.727   0.0000   0.0000  4124.42  444.727  ?   ?   162.186   9.0195 0.000000 9.019483 
1 1 1   13   24   21 o   52.379   4.8637  425.329   76.869  413.726   93.579  449.401  134.786   51.425   6.0795   53.018   8.6258 -1.592617 10.55296 
1 1 1   13   24   22 o  161.339   4.9910  4004.65  245.777  3919.08  293.758  4204.31  448.733  159.310   6.0413  163.604   9.0211 -4.294296 10.85713 
1 1 1   13   24   23 o  111.021   4.6885  1894.96  158.876  1893.53  174.440  1901.97  384.778  110.894   5.1537  108.575   11.801 2.319809 12.87719 
1 1 1   13   25    0 o   37.990   6.2981  238.457   66.994  238.457   66.994  238.457   66.994   37.990   6.2981   37.990   6.2981 0.000000 0.000000 
1 1 1   13   25    1 o  136.718   8.9553  2920.64  371.634  3034.91  528.422  2808.79  522.763  137.788   12.708  132.321   13.116 5.466476 18.26290 
1 1 1   13   25    2 o   52.332   4.8981  424.048   77.327   0.0000   0.0000  424.048   77.327  ?   ?    52.332   4.8981 0.000000 4.898065 
1 1 1   13   25    3 o  119.191   12.356  2271.46  442.976   0.0000   0.0000  2271.46  442.976  ?   ?   119.191   12.356 0.000000 12.35586 
1 1 1   13   25    4 o   37.490   14.018  178.183  215.996   0.0000   0.0000  178.183  215.996  ?   ?    37.490   14.018 0.000000 14.01832 
1 1 1   13   25    5 o  132.022   3.5871  2668.65  144.548  3030.10  209.744  2341.69  199.484  140.483   4.8916  123.434   5.2949 17.04896 7.208571 
1 1 1   13   25    6 o   80.963   4.6959  1009.36  115.546  1023.64  125.593  930.629  294.825   81.476   5.0755   75.428   13.292 6.047981 14.22780 
1 1 1   13   25    7 o  158.070   3.8691  3828.04  186.671  3723.73  276.004  3915.99  253.425  155.522   5.8144  159.626   5.2015 -4.103699 7.801480 
1 1 1   13   25    8 o  105.232   4.5144  1699.13  145.001  1708.53  158.064  1649.22  364.258  105.471   4.9100  101.415   12.000 4.055977 12.96590 
1 1 1   13   25    9 o   49.256   5.1298  376.834   75.991  390.921   83.363  307.585  184.825   50.106   5.5437   43.535   12.952 6.570992 14.08840 
1 1 1   13   25   10 o  131.743   5.2822  2669.11  212.404  2669.11  212.404   0.0000   0.0000  131.743   5.2822  ?   ?  0.000000 5.282233 
1 1 1   13   25   11 o   49.214   5.8551  378.299   86.226  366.934   89.156  542.703  339.103   48.396   6.1764   56.872   17.672 -8.475746 18.71988 
1 1 1   13   25   12 o   28.869   7.6623  133.900   68.639  124.794   75.159  179.659  168.478   28.068   8.2356   35.441   12.506 -7.373280 14.97405 
1 1 1   13   25   15 o  184.982   10.498  5416.47  590.303  5237.66  819.516  5609.28  851.004  178.459   15.190  184.677   15.233 -6.218338 21.51244 
1 1 1   13   25   16 f  121.033   4.2631  2248.60  157.487  2373.61  172.263  1612.27  388.659  124.304   4.5404   99.366   13.137 24.93787 13.89944 
1 1 1   13   25   17 o   75.651   7.9910  900.955  181.723   0.0000   0.0000  900.955  181.723  ?   ?    75.651   7.9910 0.000000 7.991020 
1 1 1   13   25   18 o  117.957   8.3420  2183.43  298.402   0.0000   0.0000  2183.43  298.402  ?   ?   117.957   8.3420 0.000000 8.341981 
1 1 1   13   26    1 o  142.710   13.075  3294.82  563.189   0.0000   0.0000  3294.82  563.189  ?   ?   142.710   13.075 0.000000 13.07483 
1 1 1   13   26    2 o  116.101   4.8982  2072.39  173.574   0.0000   0.0000  2072.39  173.574  ?   ?   116.101   4.8982 0.000000 4.898157 
1 1 1   13   26    3 o   65.095   10.232  682.116  196.588  686.247  289.784  678.594  267.577   63.657   15.136   63.615   14.147 0.4182816E-01 20.71792 
1 1 1   13   26    4 o  124.393   4.6936  2377.76  178.207  2400.93  194.007  2252.70  450.832  124.923   5.0881  117.963   12.723 6.959679 13.70244 
1 1 1   13   26    5 o   98.693   3.3536  1491.75  101.022  1628.04  148.188  1373.43  138.080  102.924   4.7171   94.402   4.8081 8.522652 6.735678 
1 1 1   13   26    6 o  115.351   4.6188  2044.45  162.618  2065.19  177.350  1934.95  407.523  115.865   5.0149  109.340   12.432 6.524544 13.40555 
1 1 1   13   26    7 o  157.730   3.9236  3815.67  188.894  4026.27  270.329  3614.72  264.056  161.645   5.4791  153.115   5.6502 8.530579 7.870537 
1 1 1   13   26    8 o  194.045   5.6322  5805.99  333.575  5908.78  366.189  5304.81  808.587  195.568   6.1346  179.561   14.888 16.00725 16.10228 
1 1 1   13   26    9 o  192.349   9.5010  5815.53  557.797   0.0000   0.0000  5815.53  557.797  ?   ?   192.349   9.5010 0.000000 9.500990 
1 1 1   13   26   10 o   58.854   4.4670  535.169   79.645   0.0000   0.0000  535.169   79.645  ?   ?    58.854   4.4670 0.000000 4.467041 
1 1 1   13   26   11 o  126.294   4.6842  2452.52  180.566  2476.65  198.135  2334.28  438.599  126.822   5.1186  120.166   12.124 6.656609 13.16028 
1 1 1   13   26   12 o  146.104   4.9420  3285.49  220.382  3313.09  242.318  3153.37  530.079  146.591   5.4158  139.462   12.589 7.129364 13.70405 
1 1 1   14    0    0 o  596.388   16.230 54575.64  2949.45 54575.64  2949.45 54575.64  2949.45  596.388   16.230  596.388   16.230 0.000000 0.000000 
1 1 1   14    0    1 o  287.553   5.9107 12645.70  518.277 12645.70  518.277 12645.70  518.277  287.553   5.9107  287.553   5.9107 0.000000 0.000000 
1 1 1   14    0    2 o  245.329   7.0354  9218.95  525.833  9218.95  525.833  9218.95  525.833  245.329   7.0354  245.329   7.0354 0.000000 0.000000 
1 1 1   14    0    3 o  342.477   9.7775 17985.75  1020.18 17985.75  1020.18 17985.75  1020.18  342.477   9.7775  342.477   9.7775 0.000000 0.000000 
1 1 1   14    0    4 o  143.649   3.8746  3157.18  169.604  3157.18  169.604  3157.18  169.604  143.649   3.8746  143.649   3.8746 0.000000 0.000000 
1 1 1   14    0    5 o  358.178   15.958 19819.04  1736.68 19819.04  1736.68 19819.04  1736.68  358.178   15.958  358.178   15.958 0.000000 0.000000 
1 1 1   14    0    6 o  250.714   5.1659  9611.44  394.934  9611.44  394.934  9611.44  394.934  250.714   5.1659  250.714   5.1659 0.000000 0.000000 
1 1 1   14    0    7 o  344.450   8.4503 18172.44  887.211 18172.44  887.211 18172.44  887.211  344.450   8.4503  344.450   8.4503 0.000000 0.000000 
1 1 1   14    0    8 o  157.846   5.2560  3817.72  252.590  3817.72  252.590  3817.72  252.590  157.846   5.2560  157.846   5.2560 0.000000 0.000000 
1 1 1   14    0    9 o   18.289   10.104   70.306   82.305   70.306   82.305   70.306   82.305   18.289   10.104   18.289   10.104 0.000000 0.000000 
1 1 1   14    0   10 o  406.641   17.198 25568.24  2125.93 25568.24  2125.93 25568.24  2125.93  406.641   17.198  406.641   17.198 0.000000 0.000000 
1 1 1   14    0   11 f  212.229   11.878  6964.15  763.933  6964.15  763.933  6964.15  763.933  212.229   11.878  212.229   11.878 0.000000 0.000000 
1 1 1   14    0   12 o   10.140   7.1641 -110.8606   89.824 -110.8606   89.824 -110.8606   89.824   10.140   7.1641   10.140   7.1641 0.000000 0.000000 
1 1 1   14    0   13 o  671.098   42.052 72902.16  8536.16 72902.16  8536.16 72902.16  8536.16  671.098   42.052  671.098   42.052 0.000000 0.000000 
1 1 1   14    0   14 f  347.037   9.9735 18477.62  1054.45 18477.62  1054.45 18477.62  1054.45  347.037   9.9735  347.037   9.9735 0.000000 0.000000 
1 1 1   14    0   15 o   13.550   8.5435   11.875   74.875   11.875   74.875   11.875   74.875   13.550   8.5435   13.550   8.5435 0.000000 0.000000 
1 1 1   14    0   16 o   22.425   15.219 -165.7175  313.088 -165.7175  313.088 -165.7175  313.088   22.425   15.219   22.425   15.219 0.000000 0.000000 
1 1 1   14    0   17 o  107.757   5.1955  1785.82  169.972  1785.82  169.972  1785.82  169.972  107.757   5.1955  107.757   5.1955 0.000000 0.000000 
1 1 1   14    0   18 o   29.897   13.502  198.570  132.404  198.570  132.404  198.570  132.404   29.897   13.502   29.897   13.502 0.000000 0.000000 
1 1 1   14    0   19 o  206.885   17.392  6730.88  1080.36  6730.88  1080.36  6730.88  1080.36  206.885   17.392  206.885   17.392 0.000000 0.000000 
1 1 1   14    0   20 o  250.606   7.1796  9624.30  548.153  9624.30  548.153  9624.30  548.153  250.606   7.1796  250.606   7.1796 0.000000 0.000000 
1 1 1   14    0   21 o  528.238   10.110 42777.07  1628.63 42777.07  1628.63 42777.07  1628.63  528.238   10.110  528.238   10.110 0.000000 0.000000 
1 1 1   14    0   22 o   41.559   22.895  373.186  421.232  373.186  421.232  373.186  421.232   41.559   22.895   41.559   22.895 0.000000 0.000000 
1 1 1   14    0   23 o  202.073   5.8594  6254.85  360.706  6254.85  360.706  6254.85  360.706  202.073   5.8594  202.073   5.8594 0.000000 0.000000 
1 1 1   14    0   24 o  110.807   5.1358  1887.58  172.846  1887.58  172.846  1887.58  172.846  110.807   5.1358  110.807   5.1358 0.000000 0.000000 
1 1 1   14    0   25 o  362.651   8.2798 20151.75  915.402 20151.75  915.402 20151.75  915.402  362.651   8.2798  362.651   8.2798 0.000000 0.000000 
1 1 1   14    0   26 o   24.787   10.886  135.080   86.126  135.080   86.126  135.080   86.126   24.787   10.886   24.787   10.886 0.000000 0.000000 
1 1 1   14    0   27 o   17.340   9.1468   66.425   64.527   66.425   64.527   66.425   64.527   17.340   9.1468   17.340   9.1468 0.000000 0.000000 
1 1 1   14    0   28 o   26.326   12.511  155.899  114.565  155.899  114.565  155.899  114.565   26.326   12.511   26.326   12.511 0.000000 0.000000 
1 1 1   14    0   29 o  204.326   4.6409  6386.36  289.091  6386.36  289.091  6386.36  289.091  204.326   4.6409  204.326   4.6409 0.000000 0.000000 
1 1 1   14    0   30 o  128.201   5.1656  2522.94  201.383  2522.94  201.383  2522.94  201.383  128.201   5.1656  128.201   5.1656 0.000000 0.000000 
1 1 1   14    0   31 o   95.743   9.6730  1446.12  276.058  1446.12  276.058  1446.12  276.058   95.743   9.6730   95.743   9.6730 0.000000 0.000000 
1 1 1   14    0   32 o   20.393   11.200   88.524  100.441   88.524  100.441   88.524  100.441   20.393   11.200   20.393   11.200 0.000000 0.000000 
1 1 1   14    0   33 o   41.726   6.5609  285.071   77.386  285.071   77.386  285.071   77.386   41.726   6.5609   41.726   6.5609 0.000000 0.000000 
1 1 1   14    0   34 o   88.987   5.2048  1222.21  140.260  1222.21  140.260  1222.21  140.260   88.987   5.2048   88.987   5.2048 0.000000 0.000000 
1 1 1   14    0   37 o   16.789   11.207 -52.3708  157.020 -52.3708  157.020 -52.3708  157.020   16.789   11.207   16.789   11.207 0.000000 0.000000 
1 1 1   14    0   38 o  129.516   4.2292  2570.52  166.783  2570.52  166.783  2570.52  166.783  129.516   4.2292  129.516   4.2292 0.000000 0.000000 
1 1 1   14    0   39 o  144.738   4.3218  3208.89  190.539  3208.89  190.539  3208.89  190.539  144.738   4.3218  144.738   4.3218 0.000000 0.000000 
1 1 1   14    0   40 o  304.036   7.9352 14188.12  735.243 14188.12  735.243 14188.12  735.243  304.036   7.9352  304.036   7.9352 0.000000 0.000000 
1 1 1   14    0   41 o  118.838   4.9732  2169.92  179.669  2169.92  179.669  2169.92  179.669  118.838   4.9732  118.838   4.9732 0.000000 0.000000 
1 1 1   14    0   42 o   60.211   4.5341  563.391   82.240  563.391   82.240  563.391   82.240   60.211   4.5341   60.211   4.5341 0.000000 0.000000 
1 1 1   14    0   43 o  114.626   4.9901  2020.30  173.832  2020.30  173.832  2020.30  173.832  114.626   4.9901  114.626   4.9901 0.000000 0.000000 
1 1 1   14    0   44 o   35.665   17.078  291.244  213.902  291.244  213.902  291.244  213.902   35.665   17.078   35.665   17.078 0.000000 0.000000 
1 1 1   14    0   45 o   68.527   15.277  826.591  279.147  826.591  279.147  826.591  279.147   68.527   15.277   68.527   15.277 0.000000 0.000000 
1 1 1   14    0   46 o   54.451   7.1302  477.401  112.873  477.401  112.873  477.401  112.873   54.451   7.1302   54.451   7.1302 0.000000 0.000000 
1 1 1   14    0   47 o   94.679   10.743  1437.21  300.136  1437.21  300.136  1437.21  300.136   94.679   10.743   94.679   10.743 0.000000 0.000000 
1 1 1   14    0   48 o  279.148   8.1696 12024.18  694.716 12024.18  694.716 12024.18  694.716  279.148   8.1696  279.148   8.1696 0.000000 0.000000 
1 1 1   14    0   49 o   79.362   15.962  1097.12  342.763  1097.12  342.763  1097.12  342.763   79.362   15.962   79.362   15.962 0.000000 0.000000 
1 1 1   14    0   50 o  120.579   13.504  2359.48  480.987  2359.48  480.987  2359.48  480.987  120.579   13.504  120.579   13.504 0.000000 0.000000 
1 1 1   14    1    0 o  386.613   17.143 23108.47  2013.89 23108.47  2013.89 23108.47  2013.89  386.613   17.143  386.613   17.143 0.000000 0.000000 
1 1 1   14    1    1 o  563.269   12.224 48727.92  2101.51 51460.11  4136.04 47777.10  2439.93  573.903   23.612  557.080   14.350 16.82312 27.63025 
1 1 1   14    1    2 f  207.976   4.7825  6607.52  303.587  7278.26  432.106  5953.70  426.622  218.187   6.4885  197.303   7.0842 20.88396 9.606591 
1 1 1   14    1    3 o  244.243   6.0035  9118.07  447.551  8742.64  516.256 10253.71  897.880  239.090   7.0744  258.489   11.380 -19.39874 13.40005 
1 1 1   14    1    4 o  162.839   5.2145  4051.49  259.173  4049.44  281.271  4063.00  667.050  162.781   5.6612  161.958   13.620 0.8225861 14.75003 
1 1 1   14    1    5 o  486.814   8.7805 36288.64  1304.66 38024.42  1703.87 33828.63  2028.42  497.795   11.214  468.764   14.177 29.03098 18.07613 
1 1 1   14    1    6 o   72.664   2.8603  806.081   63.438  766.037   71.373  956.719  138.432   70.832   3.3014   78.908   5.7882 -8.075989 6.663458 
1 1 1   14    1    7 o  133.083   3.4526  2704.33  140.246  2712.37  151.283  2655.15  374.027  133.275   3.7190  131.312   9.3942 1.962311 10.10353 
1 1 1   14    1    8 f  182.863   3.8013  5106.48  212.164  4953.37  291.831  5278.13  308.995  180.045   5.3105  185.847   5.4473 -5.802261 7.607468 
1 1 1   14    1    9 o  287.649   9.1734 12675.87  805.400 12562.02  1138.88 12789.76  1139.13  285.793   13.056  288.392   12.941 -2.598572 18.38297 
1 1 1   14    1   10 o  340.942   7.4787 17785.84  778.260 17766.37  2187.81 17788.66  832.728  337.008   21.380  340.905   8.0030 -3.897034 22.82873 
1 1 1   14    1   11 o  308.327   5.7234 14530.51  538.622 15078.56  835.505 14140.77  704.576  313.768   8.7242  303.986   7.5938 9.782043 11.56617 
1 1 1   14    1   12 f   75.682   3.8421  876.995   88.461  847.753  147.005  893.595  110.759   74.167   6.5616   76.329   4.7782 -2.162720 8.117027 
1 1 1   14    1   13 o  302.560   5.9745 13994.81  551.736 14122.95  819.217 13888.43  746.402  303.627   8.8398  301.185   8.1194 2.441895 12.00274 
1 1 1   14    1   14 o  233.311   4.0824  8314.13  290.714  8391.81  300.941  7229.21  1124.72  234.392   4.2065  215.393   17.253 18.99922 17.75816 
1 1 1   14    1   15 o  303.916   4.6145 14111.19  428.050 13802.17  665.007 14329.81  559.326  300.330   7.2546  306.147   5.9857 -5.817444 9.405183 
1 1 1   14    1   16 o  142.275   3.4654  3091.14  150.490  2921.56  208.313  3276.24  217.642  138.273   4.9358  146.429   4.8697 -8.155365 6.933697 
1 1 1   14    1   17 f  403.053   6.7631 24852.28  831.999 23247.09  1174.56 26468.82  1178.70  389.282   9.8854  415.507   9.2941 -26.22443 13.56840 
1 1 1   14    1   18 o  260.501   9.4551 10406.70  751.786  9786.31  899.401 11845.25  1369.57  252.296   11.680  276.141   16.322 -23.84561 20.07026 
1 1 1   14    1   19 o  152.832   3.6666  3567.31  171.041  3467.73  218.499  3724.90  274.863  150.645   4.7520  156.085   5.7695 -5.439667 7.474538 
1 1 1   14    1   20 o   97.454   4.7891  1451.30  142.452  1284.24  155.826  2301.03  351.445   91.481   5.6078  122.114   9.5041 -30.63281 11.03519 
1 1 1   14    1   21 o  403.648   5.3618 24906.97  660.589 24583.35  1014.21 25145.41  870.581  400.551   8.2957  405.331   7.0369 -4.780334 10.87828 
1 1 1   14    1   22 o  309.732   5.3202 14665.32  502.958 15070.93  687.822 14199.20  737.336  313.770   7.1820  304.457   7.9346 9.312408 10.70228 
1 1 1   14    1   23 o  106.652   4.2187  1737.79  137.330  1800.37  291.272  1719.90  155.725  107.991   8.9165  106.085   4.8094 1.906235 10.13084 
1 1 1   14    1   24 o  171.007   3.1214  4465.57  162.922  4587.52  270.874  4396.45  203.934  173.239   5.1228  169.649   3.9384 3.590134 6.461737 
1 1 1   14    1   25 o  347.082   5.7560 18422.50  609.776 18176.02  861.588 18669.85  863.121  344.387   8.1966  349.051   8.1015 -4.663818 11.52473 
1 1 1   14    1   26 o  111.758   3.2176  1907.35  109.756  1936.34  146.942  1870.76  165.071  112.576   4.2764  110.634   4.8884 1.942459 6.494939 
1 1 1   14    1   27 o  299.582   5.9970 13728.10  548.359 14260.41  1002.19 13500.64  655.126  304.560   10.781  296.936   7.2284 7.624054 12.98004 
1 1 1   14    1   28 o  141.126   2.9434  3041.16  126.785  3091.41  163.309  2964.92  201.152  142.262   3.7610  139.284   4.7316 2.977570 6.044241 
1 1 1   14    1   29 o  166.706   2.7922  4243.31  142.076  4297.92  202.623  4190.50  199.270  167.732   3.9578  165.624   3.9419 2.108795 5.585936 
1 1 1   14    1   30 o   82.509   3.9756  1040.00  100.120  1102.38  246.022  1027.62  109.607   84.177   9.7565   81.889   4.4014 2.287849 10.70334 
1 1 1   14    1   31 o   85.315   9.2925  1130.17  238.064  1177.12  258.287  865.069  613.737   86.991   9.9043   74.477   23.858 12.51428 25.83220 
1 1 1   14    1   32 o  188.392   3.6822  5421.44  211.735  5289.60  254.120  5720.78  382.914  186.047   4.4751  193.336   6.4889 -7.289124 7.882395 
1 1 1   14    1   33 o  307.516   5.0208 14457.38  471.253 14802.35  733.922 14215.38  614.716  310.785   7.7370  304.734   6.6090 6.051666 10.17548 
1 1 1   14    1   34 o  121.553   3.3456  2256.69  124.125  2401.48  153.143  1979.45  211.920  125.370   4.0021  113.568   6.1364 11.80181 7.326149 
1 1 1   14    1   35 o  186.815   5.3517  5337.72  305.155  5294.92  776.705  5345.53  331.839  184.416   13.901  186.915   5.8166 -2.498581 15.06881 
1 1 1   14    1   36 f  166.712   3.5905  4245.85  182.701  4731.29  317.225  4004.91  223.488  175.829   5.9110  161.863   4.5237 13.96613 7.443318 
1 1 1   14    1   37 o  262.479   4.7570 10534.20  381.106 10429.21  540.717 10637.84  537.230  260.910   6.7899  263.524   6.6792 -2.613281 9.524380 
1 1 1   14    1   38 o  184.242   3.0014  5184.55  168.785  5316.11  240.766  5057.42  236.682  186.491   4.2298  181.895   4.2631 4.596207 6.005456 
1 1 1   14    1   39 o  370.328   5.0685 20980.67  572.909 21239.14  833.711 20749.41  788.601  372.106   7.3406  367.870   7.0234 4.235870 10.15934 
1 1 1   14    1   40 o   26.607   8.8967  102.488   84.918  153.976  101.630 -16.6026  154.564   31.579   9.6516   25.327   10.939 6.251476 14.58806 
1 1 1   14    1   41 o  161.842   3.4047  4002.39  168.184  3677.82  321.531  4124.65  197.333  154.847   6.8031  164.260   3.9360 -9.412903 7.859600 
1 1 1   14    1   42 o   83.313   8.1898  1077.75  205.566  1090.27  280.822  1063.30  301.733   83.154   11.362   81.836   12.474 1.317703 16.87302 
1 1 1   14    1   43 o  107.002   7.9533  1771.16  257.892  1828.99  347.547  1700.31  384.708  108.176   10.665  103.832   12.383 4.344124 16.34274 
1 1 1   14    1   44 o  297.162   5.5804 13536.64  506.145 12696.21  1256.97 13699.28  552.956  283.805   14.560  298.822   6.0626 -15.01688 15.77149 
1 1 1   14    1   45 o   47.182   4.2574  343.470   60.650  292.412  108.105  366.922   73.268   42.781   8.5775   48.683   5.0019 -5.901661 9.929401 
1 1 1   14    1   46 o   67.988   3.5984  709.036   74.406  770.588  121.921  672.506   93.925   70.627   5.7044   66.089   4.6867 4.538521 7.382774 
1 1 1   14    1   47 o  131.274   4.9988  2643.02  200.292  2590.85  217.792  2929.08  509.989  129.905   5.4929  135.946   12.428 -6.041656 13.58790 
1 1 1   14    1   48 f  304.350   7.6880 14320.82  714.177 14120.74  849.234 14804.12  1319.89  301.360   9.2326  304.754   14.190 -3.394623 16.92887 
1 1 1   14    1   49 o   20.374   7.8699   42.106   69.441   51.878   73.638 -36.3612  208.669   21.532   8.1564   28.567   12.518 -7.035295 14.94096 
1 1 1   14    1   50 o   29.578   12.977 -38.3702  224.830 -38.3702  224.830   0.0000   0.0000   29.578   12.977  ?   ?  0.000000 12.97657 
1 1 1   14    2    0 o  449.996   19.482 31365.99  2664.40 31365.99  2664.40 31365.99  2664.40  449.996   19.482  449.996   19.482 0.000000 0.000000 
1 1 1   14    2    1 o  195.775   5.5029  5856.92  328.827  7100.81  670.834  5463.52  377.258  215.221   10.212  189.035   6.5385 26.18613 12.12593 
1 1 1   14    2    2 o  277.087   6.5991 11739.16  558.107 11514.09  646.122 12400.61  1107.65  274.323   7.7168  284.053   12.776 -9.729706 14.92537 
1 1 1   14    2    3 o  454.071   6.7053 31527.06  929.308 31638.03  1156.73 31325.06  1560.67  454.628   8.3361  451.800   11.317 2.827606 14.05610 
1 1 1   14    2    4 o  406.544   8.8553 25309.78  1098.82 24990.45  1251.25 26386.12  2297.22  403.754   10.153  412.819   18.232 -9.065582 20.86825 
1 1 1   14    2    5 o   71.178   3.7896  775.859   82.032  499.933  120.214  1016.31  112.221   56.733   7.0976   81.443   4.5324 -24.71005 8.421337 
1 1 1   14    2    6 f  128.413   3.4699  2517.88  136.000  2549.06  141.665  2151.29  485.785  129.203   3.5923  117.443   13.816 11.75925 14.27537 
1 1 1   14    2    7 o  430.836   9.4466 28441.30  1242.23 28387.40  1331.02 28805.35  3459.09  430.297   10.134  426.920   26.680 3.377075 28.53969 
1 1 1   14    2    8 o  224.371   5.5913  7693.77  382.913  7538.05  803.363  7739.55  435.574  221.214   11.942  224.992   6.3428 -3.778366 13.52234 
1 1 1   14    2    9 o  293.067   5.4060 13125.25  483.571 14150.06  1242.35 12942.26  524.971  303.240   13.423  290.979   5.9109 12.26147 14.66659 
1 1 1   14    2   10 o  322.552   5.1307 15897.26  505.122 16719.21  905.417 15525.84  608.643  330.366   8.9792  318.666   6.2576 11.69989 10.94456 
1 1 1   14    2   11 o   92.728   3.7399  1313.09  105.848   0.0000   0.0000  1313.09  105.848  ?   ?    92.728   3.7399 0.000000 3.739868 
1 1 1   14    2   12 o  225.167   3.6773  7742.47  252.726  7696.21  423.242  7768.10  315.060  224.359   6.1806  225.498   4.5776 -1.139587 7.691130 
1 1 1   14    2   13 o  227.576   3.6466  7909.05  253.299  7666.18  405.671  8064.24  324.282  223.933   5.9352  229.752   4.6243 -5.818619 7.524054 
1 1 1   14    2   14 o  361.105   7.7472 19960.23  853.879 16410.25  2193.30 20594.39  927.015  323.153   22.374  366.718   8.2820 -43.56454 23.85813 
1 1 1   14    2   15 o  305.569   6.7545 14283.10  629.967 13947.95  675.745 16508.27  1741.20  301.899   7.3334  325.867   17.571 -23.96735 19.04005 
1 1 1   14    2   16 o  170.469   4.5158  4439.59  234.960  4566.73  262.840  3933.83  524.220  172.873   4.9814  159.701   10.818 13.17133 11.91004 
1 1 1   14    2   17 o  201.939   4.1068  6229.02  253.126  5872.52  628.817  6297.96  276.520  195.295   10.589  203.037   4.4621 -7.742020 11.49046 
1 1 1   14    2   18 o  192.597   3.8769  5665.57  227.901  5614.69  316.631  5720.26  328.287  191.655   5.4127  193.440   5.5602 -1.784821 7.759724 
1 1 1   14    2   19 o  163.171   7.0637  4074.66  351.798  3923.19  386.195  4813.14  852.727  160.053   7.9054  175.615   16.087 -15.56189 17.92480 
1 1 1   14    2   20 o  236.550   4.2656  8548.44  307.975  8541.39  374.793  8563.10  540.410  236.393   5.1945  236.496   7.4866 -0.1030579 9.112135 
1 1 1   14    2   21 o  120.696   7.4517  2238.85  273.173  2215.94  323.745  2295.48  509.014  119.894   8.9105  121.165   14.023 -1.270828 16.61439 
1 1 1   14    2   22 o   98.571   2.9363  1483.58   88.341  1300.19  115.727  1739.66  136.754   92.255   4.1099  106.711   4.1987 -14.45609 5.875374 
1 1 1   14    2   23 o  254.823   4.9063  9924.34  381.603  9799.39  534.165 10054.58  545.346  253.031   6.9165  256.298   6.9712 -3.267471 9.820154 
1 1 1   14    2   24 o  383.272   8.3503 22514.93  976.843 22773.20  1922.25 22425.01  1134.21  383.107   16.439  382.215   9.7223 0.8923645 19.09870 
1 1 1   14    2   25 f  186.372   3.0854  5304.08  175.511  5247.44  240.922  5368.13  256.203  185.325   4.2592  187.433   4.4784 -2.107941 6.180343 
1 1 1   14    2   26 o  165.954   4.7755  4209.10  241.893  4125.68  267.178  4588.32  569.646  164.272   5.3287  172.414   10.880 -8.141983 12.11527 
1 1 1   14    2   27 o  383.418   5.4226 22477.38  634.601 22197.32  875.720 22787.08  920.907  380.691   7.5366  385.661   7.8234 -4.970215 10.86303 
1 1 1   14    2   28 o   73.375   3.2838  822.201   73.543  807.539   91.701  848.630  123.115   72.584   4.1565   74.299   5.4673 -1.715340 6.867882 
1 1 1   14    2   29 o  186.173   3.7057  5294.28  210.574  5662.74  302.399  4947.42  293.398  192.464   5.1477  179.885   5.3437 12.57809 7.419868 
1 1 1   14    2   30 o  200.744   4.1855  6157.02  256.453  6771.49  1066.60  6119.31  264.204  208.046   16.944  200.121   4.3254 7.925827 17.48733 
1 1 1   14    2   31 o  102.428   5.5698  1609.17  173.475  1588.77  211.160  1651.52  304.258  101.645   6.8461  103.247   9.7711 -1.601540 11.93082 
1 1 1   14    2   32 o  110.800   3.2138  1874.89  108.686  1793.70  134.798  2025.74  183.739  108.351   4.0760  115.104   5.2299 -6.753090 6.630631 
1 1 1   14    2   33 o  153.832   3.2730  3614.20  153.676  3579.98  252.267  3634.39  193.783  153.003   5.4019  154.227   4.1166 -1.224945 6.791637 
1 1 1   14    2   34 o  140.924   5.2786  3037.00  227.048  2946.53  273.126  3239.36  408.484  138.739   6.4498  144.943   9.2822 -6.203308 11.30304 
1 1 1   14    2   35 o  179.323   5.4505  4918.66  298.323   0.0000   0.0000  4918.66  298.323  ?   ?   179.323   5.4505 0.000000 5.450479 
1 1 1   14    2   36 o  302.000   4.3122 13939.59  397.488 14785.98  743.741 13601.18  470.287  310.497   7.8478  298.214   5.1668 12.28256 9.395914 
1 1 1   14    2   37 o  100.799   3.9132  1552.63  120.393  1520.16  174.874  1581.88  165.997   99.496   5.7833  101.545   5.3749 -2.048592 7.895366 
1 1 1   14    2   38 o  145.664   2.9387  3240.64  130.654  3401.18  188.104  3090.99  181.611  149.172   4.1314  142.204   4.1842 6.967789 5.880102 
1 1 1   14    2   39 o   87.744   2.9895  1175.95   80.064  1288.26  161.807  1139.54   92.133   91.545   5.8211   86.361   3.4953 5.184158 6.789881 
1 1 1   14    2   40 o  220.915   5.8424  7474.09  393.945  7421.70  457.255  7624.97  775.963  220.001   6.8095  221.734   11.505 -1.732590 13.36919 
1 1 1   14    2   41 o  230.169   4.0792  8099.92  286.576  7965.38  477.003  8175.90  358.483  227.865   6.8584  231.128   5.0816 -3.262604 8.535853 
1 1 1   14    2   42 o  143.659   5.6377  3161.65  247.203  3146.96  278.092  3216.96  539.688  143.251   6.3603  143.342   12.459 -0.9185791E-01 13.98879 
1 1 1   14    2   43 o   51.059   8.9095  413.383  133.799  362.410  161.597  524.511  238.605   47.401   11.324   56.804   13.880 -9.403008 17.91360 
1 1 1   14    2   44 o  169.117   2.7035  4369.42  139.549  4504.96  228.800  4289.14  176.094  171.573   4.3691  167.501   3.4444 4.072403 5.563518 
1 1 1   14    2   45 o  108.305   2.6538  1792.19   87.727  1801.91  135.321  1785.14  115.218  108.514   4.0857  108.047   3.4937 0.4670181 5.375763 
1 1 1   14    2   46 o  141.180   8.0527  3087.27  345.561  3126.63  445.595  3027.89  547.344  141.393   10.398  138.141   13.140 3.251175 16.75620 
1 1 1   14    2   47 o  173.073   6.4103  4609.35  338.630  4609.35  338.630   0.0000   0.0000  173.073   6.4103  ?   ?  0.000000 6.410323 
1 1 1   14    2   48 o  107.645   18.566  1945.76  587.950  1945.76  587.950   0.0000   0.0000  107.645   18.566  ?   ?  0.000000 18.56551 
1 1 1   14    2   49 o   54.245   17.358  479.970  324.938  479.970  324.938   0.0000   0.0000   54.245   17.358  ?   ?  0.000000 17.35795 
1 1 1   14    2   50 o   66.293   11.164  709.911  217.873  774.993  355.181  670.648  275.872   67.398   17.207   63.362   14.569 4.035694 22.54598 
1 1 1   14    3    0 o  142.990   9.4869  3168.30  409.861  3168.30  409.861  3168.30  409.861  142.990   9.4869  142.990   9.4869 0.000000 0.000000 
1 1 1   14    3    1 f   90.969   3.1351  1263.47   87.048  1229.98  122.546  1297.58  123.672   89.736   4.4742   92.170   4.3961 -2.434547 6.272478 
1 1 1   14    3    2 o  269.365   8.8020 11110.95  723.673 11203.16  840.619 10846.97  1422.30  270.324   10.188  264.202   17.740 6.121948 20.45777 
1 1 1   14    3    3 f  203.451   4.0913  6321.62  254.058  6155.67  346.681  6514.12  373.389  200.695   5.6595  206.441   5.9258 -5.746460 8.194199 
1 1 1   14    3    4 f  351.992   7.4459 18955.00  799.954 20650.04  1376.61 18090.79  982.951  366.613   12.302  343.627   9.3719 22.98602 15.46542 
1 1 1   14    3    5 o  366.293   6.4488 20514.15  720.978 20239.31  786.166 21968.26  1808.32  363.761   7.0808  377.324   15.702 -13.56326 17.22435 
1 1 1   14    3    6 o  107.866   4.1332  1777.01  136.079  1219.20  263.591  1979.69  158.889   88.639   9.9126  113.841   4.5727 -25.20238 10.91652 
1 1 1   14    3    7 o  260.281   10.140 10387.54  805.526 11076.14  1001.08  9122.83  1356.69  268.487   12.216  241.930   18.513 26.55615 22.18043 
1 1 1   14    3    8 o  648.042   15.006 64758.95  2968.08 67472.31  5452.13 63616.14  3538.34  653.709   27.325  640.800   18.091 12.90936 32.77121 
1 1 1   14    3    9 o  108.658   4.6256  1803.61  153.406  2278.24  406.089  1724.61  165.683  121.335   11.088  106.239   5.1095 15.09547 12.20842 
1 1 1   14    3   10 o   67.202   15.676  724.875  315.657   0.0000   0.0000  724.875  315.657  ?   ?    67.202   15.676 0.000000 15.67640 
1 1 1   14    3   11 f  472.309   7.7454 34142.77  1116.57 33986.53  1645.23 34276.19  1520.29  470.417   11.458  472.648   10.538 -2.230652 15.56770 
1 1 1   14    3   12 o  301.880   4.7001 13922.87  433.066 13970.07  727.785 13897.00  538.847  302.093   7.8931  301.509   5.8553 0.5835571 9.827763 
1 1 1   14    3   13 o  137.407   6.8664  2888.24  287.974  2862.97  383.572  2920.88  435.952  136.361   9.2710  137.576   10.460 -1.214890 13.97741 
1 1 1   14    3   14 o  311.366   6.3567 14826.05  604.113 15082.77  1040.01 14695.32  742.160  313.428   10.871  309.822   7.8482 3.605743 13.40814 
1 1 1   14    3   15 o  130.517   5.3185  2603.51  211.871   0.0000   0.0000  2603.51  211.871  ?   ?   130.517   5.3185 0.000000 5.318489 
1 1 1   14    3   16 f  201.264   4.4629  6188.43  274.157  5909.51  945.012  6214.06  286.478  194.818   16.035  201.671   4.6540 -6.853287 16.69661 
1 1 1   14    3   17 o  334.580   5.5547 17112.63  567.253 16430.92  980.739 17455.34  695.369  327.266   9.8183  337.780   6.7447 -10.51382 11.91177 
1 1 1   14    3   18 o  310.870   6.3675 14781.67  604.179 14563.67  682.349 15572.92  1299.99  308.466   7.2474  317.857   13.400 -9.390717 15.23393 
1 1 1   14    3   19 o  334.470   4.5804 17093.00  467.605 16615.42  561.333 18175.82  845.222  329.669   5.5786  344.474   8.0389 -14.80499 9.784942 
1 1 1   14    3   20 f  364.738   14.654 20556.11  1631.35 20556.11  1631.35   0.0000   0.0000  364.738   14.654  ?   ?  0.000000 14.65381 
1 1 1   14    3   21 o  239.661   5.0747  8779.04  371.216  8780.33  422.992  8774.68  774.334  239.624   5.7834  238.987   10.615 0.6373901 12.08861 
1 1 1   14    3   22 o  293.596   5.0849 13175.43  455.673 14246.05  603.582 11756.56  694.852  305.142   6.4806  276.988   8.2189 28.15445 10.46656 
1 1 1   14    3   23 o   48.517   4.5206  362.799   66.173  336.719  105.821  379.546   84.799   46.264   7.7694   49.492   5.7188 -3.228699 9.647213 
1 1 1   14    3   24 o  297.551   5.1476 13533.97  467.498 13346.29  656.341 13727.24  666.049  295.237   7.2835  299.420   7.2880 -4.183228 10.30362 
1 1 1   14    3   25 o  421.958   5.8686 27231.22  755.824 26340.57  1159.29 27889.72  996.811  414.355   9.1664  426.706   7.6536 -12.35089 11.94159 
1 1 1   14    3   26 o  366.910   5.3175 20581.93  595.505 18959.77  913.213 21782.05  785.487  351.662   8.5080  377.237   6.8219 -25.57465 10.90530 
1 1 1   14    3   27 o  119.628   2.8946  2185.18  105.691  2328.49  133.500  1944.51  173.005  123.472   3.5424  112.788   5.0255 10.68462 6.148496 
1 1 1   14    3   28 o  172.284   3.1610  4532.71  166.221  4454.31  242.527  4602.16  228.266  170.724   4.6542  173.551   4.3092 -2.827576 6.342800 
1 1 1   14    3   29 o  303.960   6.9672 14144.47  646.388 15091.38  1880.38 14017.59  688.335  309.874   19.988  302.525   7.4546 7.349487 21.33271 
1 1 1   14    3   30 o   79.512   5.3855  971.106  129.931  930.628  645.076  972.818  132.650   76.972   24.439   79.573   5.4953 -2.600510 25.04900 
1 1 1   14    3   31 f   79.586   5.5411  973.304  133.762  995.724  164.517  929.577  229.759   80.368   6.7697   77.157   9.9908 3.211472 12.06841 
1 1 1   14    3   32 o  318.360   5.7406 15502.97  557.815 15344.34  606.872 16366.84  1416.22  316.656   6.2790  325.198   14.268 -8.541138 15.58863 
1 1 1   14    3   33 o  463.911   9.4821 33055.68  1342.64 33356.50  1529.80 32047.01  2801.30  465.587   10.765  451.615   20.322 13.97278 22.99751 
1 1 1   14    3   34 o  279.660   5.2811 11960.53  450.790 12072.15  472.587 10833.56  1501.67  280.936   5.5113  262.351   18.879 18.58554 19.66741 
1 1 1   14    3   35 o  179.326   4.7568  4916.28  260.359  4969.15  548.502  4900.91  295.809  179.466   10.054  178.999   5.4143 0.4674988 11.41900 
1 1 1   14    3   36 o  154.818   3.9487  3662.53  186.591  3795.39  275.683  3550.21  253.474  157.489   5.7351  152.337   5.4514 5.152252 7.912612 
1 1 1   14    3   37 o  367.359   5.7041 20653.22  639.577 22637.15  1871.90 20391.00  680.533  380.899   16.101  364.944   6.1095 15.95401 17.22123 
1 1 1   14    3   38 o  106.532   3.6052  1734.06  117.228  1687.14  181.395  1767.71  153.616  104.835   5.6903  107.517   4.6810 -2.682114 7.368271 
1 1 1   14    3   39 o  103.860   3.6291  1648.34  115.046  1674.25  177.428  1629.54  151.119  104.434   5.5865  103.217   4.7968 1.216972 7.363320 
1 1 1   14    3   40 o  121.457   3.5955  2254.33  133.292  2239.98  207.560  2264.41  173.885  120.951   5.6223  121.670   4.6823 -0.7193069 7.316740 
1 1 1   14    3   41 o  127.848   3.6985  2498.31  144.323  2625.59  216.432  2396.40  193.667  130.948   5.4151  125.128   5.0709 5.820480 7.418713 
1 1 1   14    3   42 o   83.739   4.1762  1072.46  106.740  1003.98  152.533  1138.17  149.421   80.677   6.2429   85.998   5.7253 -5.320580 8.470729 
1 1 1   14    3   43 o   75.142   4.3771  866.836   99.954  922.670  611.827  865.305  101.316   74.953   23.801   75.069   4.4416 -0.1153488 24.21180 
1 1 1   14    3   44 o  159.680   3.3827  3897.86  164.864  3903.13  206.817  3888.68  273.053  159.709   4.2427  159.253   5.6175 0.4564514 7.039642 
1 1 1   14    3   45 o   53.833   5.3211  448.622   86.286  404.660  146.167  472.136  106.899   50.248   9.8826   55.056   6.4858 -4.808525 11.82084 
1 1 1   14    3   46 f  118.983   5.4855  2172.62  199.212  2200.95  215.329  2004.33  524.815  119.705   5.8935  111.041   15.942 8.663597 16.99651 
1 1 1   14    3   47 o   72.717   3.1198  808.611   69.245  794.858  144.754  812.692   78.852   71.531   6.7085   72.879   3.5448 -1.348618 7.587438 
1 1 1   14    3   48 o  100.804   5.1871  1564.34  159.056  1571.44  176.031  1532.77  371.231  100.936   5.7375   97.689   12.755 3.246872 13.98590 
1 1 1   14    3   49 o  187.350   10.171  5510.03  579.418  6156.42  844.042  4933.93  796.835  195.512   14.242  174.346   15.124 21.16626 20.77419 
1 1 1   14    4    0 o  231.474   4.7104  8191.78  332.486  8191.78  332.486  8191.78  332.486  231.474   4.7104  231.474   4.7104 0.000000 0.000000 
1 1 1   14    4    1 o  218.876   3.7762  7315.83  252.276  7126.27  394.052  7447.49  328.398  215.917   5.9793  220.790   4.8731 -4.872284 7.713547 
1 1 1   14    4    2 o  339.486   12.239 17707.70  1268.18 17707.70  1268.18   0.0000   0.0000  339.486   12.239  ?   ?  0.000000 12.23891 
1 1 1   14    4    3 o  232.749   4.5753  8275.16  325.030  8274.78  339.828  8279.24  1113.55  232.734   4.7839  231.070   15.885 1.664230 16.59008 
1 1 1   14    4    4 o  437.507   7.8537 29293.97  1048.76 29246.87  1369.77 29360.70  1630.38  436.718   10.276  437.133   12.220 -0.4149475 15.96611 
1 1 1   14    4    5 f  245.480   5.7656  9210.45  431.996  9200.31  714.961  9216.29  542.153  245.017   9.5602  245.449   7.2367 -0.4322052 11.99036 
1 1 1   14    4    6 o  127.668   9.5212  2511.59  368.346  1957.79  428.093  4090.66  722.867  112.137   12.733  162.253   14.758 -50.11610 19.49177 
1 1 1   14    4    7 f  275.513   10.837 11648.17  911.354 11618.49  1111.49 11709.05  1592.01  274.789   13.252  274.009   19.156 0.7800598 23.29321 
1 1 1   14    4    8 o  315.883   14.452 15378.81  1393.38 15276.47  1967.80 15481.73  1973.27  312.565   20.744  314.698   20.658 -2.132721 29.27605 
1 1 1   14    4    9 o  555.320   11.751 47374.89  1991.80 49219.76  3917.10 46731.54  2313.17  560.890   22.881  550.864   13.758 10.02625 26.69838 
1 1 1   14    4   10 o  496.459   9.1873 37769.18  1392.16 35408.50  2380.88 38995.63  1716.10  478.591   16.299  503.965   11.156 -25.37366 19.75141 
1 1 1   14    4   11 o  223.017   10.481  7631.72  713.451  7062.27  988.107  8251.94  1031.22  213.361   15.274  230.845   14.712 -17.48320 21.20726 
1 1 1   14    4   12 o  348.091   6.2550 18528.00  664.561 18676.28  900.163 18350.37  985.252  349.199   8.4456  346.002   9.3294 3.196594 12.58433 
1 1 1   14    4   13 o  327.841   5.1881 16425.24  519.144 16582.77  847.318 16330.56  656.877  329.036   8.4370  326.757   6.5863 2.279541 10.70335 
1 1 1   14    4   14 o  211.309   4.1091  6820.32  265.023  6501.72  366.925  7167.83  383.204  206.222   5.8294  216.530   5.7982 -10.30830 8.222002 
1 1 1   14    4   15 o  332.199   5.6828 16870.64  576.204 16146.03  811.708 17606.67  818.080  324.687   8.1906  339.096   7.9042 -14.40985 11.38255 
1 1 1   14    4   16 o  144.496   4.2028  3189.47  185.359  2765.18  369.804  3331.83  214.211  134.001   9.0955  147.666   4.7527 -13.66519 10.26238 
1 1 1   14    4   17 o  119.057   2.6332  2164.02   95.688  2249.87  119.789  2012.66  159.060  121.383   3.2333  114.774   4.5405 6.609634 5.574033 
1 1 1   14    4   18 o   85.733   3.6865  1122.58   96.466  1049.08  119.972  1257.03  162.255   82.720   4.7720   90.475   5.9080 -7.755386 7.594512 
1 1 1   14    4   19 o  248.387   7.5962  9447.03  575.891  9447.03  575.891   0.0000   0.0000  248.387   7.5962  ?   ?  0.000000 7.596167 
1 1 1   14    4   20 o  205.854   4.7670  6475.70  299.519  6475.70  299.519   0.0000   0.0000  205.854   4.7670  ?   ?  0.000000 4.767045 
1 1 1   14    4   21 o  551.714   9.2462 46692.39  1557.02 46681.99  2204.33 46702.75  2199.60  550.223   13.126  550.359   13.094 -0.1358032 18.54028 
1 1 1   14    4   22 f  143.120   3.9346  3128.95  171.877  2809.19  245.996  3433.94  240.247  135.527   5.9468  149.877   5.2517 -14.35001 7.933822 
1 1 1   14    4   23 o  435.462   7.7644 29047.60  1031.99 27674.90  1605.09 30014.93  1347.41  423.822   12.408  442.115   9.9850 -18.29272 15.92661 
1 1 1   14    4   24 o  114.979   2.6790  2018.47   94.019  2053.43  166.877  2002.22  113.800  115.916   4.7167  114.503   3.2562 1.412643 5.731464 
1 1 1   14    4   25 o  415.125   8.9445 26432.88  1133.32 25856.07  1396.47 27545.79  1939.73  409.995   11.159  421.822   15.066 -11.82687 18.74860 
1 1 1   14    4   26 o  172.480   2.8696  4542.49  151.068  4652.27  218.723  4442.35  208.901  174.504   4.1065  170.525   4.0136 3.978226 5.742156 
1 1 1   14    4   27 o   80.282   3.0201  984.196   74.005  1058.72  104.528  909.297  104.791   83.246   4.1139   77.010   4.4775 6.235359 6.080491 
1 1 1   14    4   28 o  119.700   3.5379  2188.40  129.258  2240.93  668.107  2186.35  131.747  118.384   19.143  119.642   3.6078 -1.257706 19.48032 
1 1 1   14    4   29 o  201.026   7.9664  6192.93  488.804  6250.91  1049.47  6176.87  552.377  199.703   17.391  200.648   9.0195 -0.9455414 19.59086 
1 1 1   14    4   30 o  233.919   4.0867  8359.92  291.778  8312.99  525.896  8380.79  350.707  232.967   7.3958  234.154   4.9071 -1.186325 8.875716 
1 1 1   14    4   31 o  271.577   4.8028 11273.49  398.115 11230.26  431.887 11517.94  1026.97  271.017   5.2210  273.311   12.311 -2.293243 13.37209 
1 1 1   14    4   32 o  155.570   3.6203  3696.90  171.906  3805.13  185.305  3028.61  460.453  157.821   3.8468  139.881   10.870 17.94037 11.53073 
1 1 1   14    4   33 o  182.248   4.9415  5077.91  274.875  5199.79  298.300  4392.00  707.631  184.398   5.3001  167.906   13.934 16.49139 14.90762 
1 1 1   14    4   34 o  299.090   5.6300 13684.65  513.960 13810.68  541.419 12535.91  1634.60  300.428   5.9044  282.133   19.094 18.29456 19.98646 
1 1 1   14    4   35 o  271.478   10.361 11343.54  858.505 12314.10  1521.71 10890.39  1039.78  279.987   17.900  265.401   12.836 14.58612 22.02663 
1 1 1   14    4   36 o  197.731   4.2617  5975.81  257.199  6305.67  360.346  5633.25  367.221  202.982   5.8163  191.811   6.2725 11.17181 8.554109 
1 1 1   14    4   37 o  160.559   4.9643  3942.75  243.283  4326.19  513.325  3831.68  276.282  167.318   10.099  158.224   5.7209 9.093887 11.60669 
1 1 1   14    4   38 o   60.956   5.0009  572.169   92.223  723.038  250.056  548.416   99.217   67.274   12.642   59.609   5.5159 7.665337 13.79302 
1 1 1   14    4   39 o   42.375   6.5470  281.603   81.949  359.725  240.637  271.355   87.159   48.050   14.879   41.482   7.1416 6.567566 16.50438 
1 1 1   14    4   40 o   43.619   8.9777  303.478  115.541  314.648  121.307  194.274  379.293   44.392   9.2528   45.957   18.202 -1.564754 20.41842 
1 1 1   14    4   41 o  107.743   3.9209  1774.77  128.941  1907.38  351.006  1754.08  138.634  110.603   10.524  107.097   4.2411 3.506477 11.34681 
1 1 1   14    4   42 o   29.032   12.519 -15.6726  201.780 -22.0388  212.326   43.676  648.288   29.579   12.798   52.706   22.578 -23.12672 25.95267 
1 1 1   14    4   43 o  133.439   5.3650  2728.32  218.508  2681.49  226.966  3321.80  807.935  132.263   5.6222  142.923   18.991 -10.66037 19.80560 
1 1 1   14    4   44 o  178.959   3.8970  4899.09  212.865  5077.44  299.581  4717.24  302.514  181.993   5.3932  175.380   5.6513 6.612625 7.811760 
1 1 1   14    4   45 o   47.190   5.1231  345.364   72.606  333.017  121.022  352.307   90.753   45.625   9.0102   47.454   6.4314 -1.829784 11.07010 
1 1 1   14    4   46 o   88.786   3.0087  1205.13   81.535  1184.09  157.633  1212.82   95.269   87.591   5.9312   89.041   3.5055 -1.450226 6.889619 
1 1 1   14    4   47 o   63.045   3.9251  610.916   75.156  501.248  148.859  648.434   87.068   56.164   8.9866   64.899   4.4218 -8.735607 10.01555 
1 1 1   14    4   48 o   84.276   3.3886  1086.85   87.166   0.0000   0.0000  1086.85   87.166  ?   ?    84.276   3.3886 0.000000 3.388650 
1 1 1   14    4   49 o   26.648   11.856 -61.5327  194.018   0.0000   0.0000 -61.5327  194.018  ?   ?    26.648   11.856 0.000000 11.85604 
1 1 1   14    5    0 o  463.155   15.481 33054.56  2182.98 33054.56  2182.98 33054.56  2182.98  463.155   15.481  463.155   15.481 0.000000 0.000000 
1 1 1   14    5    1 o  444.901   8.5137 30309.35  1156.10 27238.29  2270.75 31383.95  1343.23  419.409   17.738  452.487   9.7258 -33.07739 20.22976 
1 1 1   14    5    2 o  791.841   16.003 96832.91  3867.83 105490.10  6595.12 92294.28  4775.27  818.195   26.409  770.287   20.311 47.90741 33.31599 
1 1 1   14    5    3 o  673.129   16.439 70024.25  3377.46 63009.51  4356.75 80589.03  5346.72  635.081   22.476  716.721   24.441 -81.63904 33.20438 
1 1 1   14    5    4 o  318.533   7.8169 15528.99  759.985 15585.64  823.858 15205.55  1968.54  319.034   8.4605  311.837   20.802 7.197754 22.45641 
1 1 1   14    5    5 o  540.875   10.328 44871.74  1705.00 44268.16  1792.84 50581.78  5514.40  537.060   10.937  561.163   32.332 -24.10278 34.13190 
1 1 1   14    5    6 o  125.860   3.0130  2418.54  115.744  2624.09  147.662  2090.99  186.399  131.085   3.6906  116.977   5.2207 14.10854 6.393429 
1 1 1   14    5    7 o   69.703   5.2575  746.660  111.030  746.660  111.030   0.0000   0.0000   69.703   5.2575  ?   ?  0.000000 5.257519 
1 1 1   14    5    8 o  270.143   5.2291 11152.05  431.157 11152.05  431.157   0.0000   0.0000  270.143   5.2291  ?   ?  0.000000 5.229077 
1 1 1   14    5    9 o  437.700   6.8270 29304.98  912.063 29304.98  912.063   0.0000   0.0000  437.700   6.8270  ?   ?  0.000000 6.827023 
1 1 1   14    5   10 o   74.680   4.0422  854.308   91.794  799.460  190.588  870.874  104.743   71.692   8.9014   75.363   4.5752 -3.671646 10.00835 
1 1 1   14    5   11 o  230.441   11.773  8182.25  825.310  8545.46  1245.29  7897.77  1102.11  234.174   17.550  225.446   16.123 8.728119 23.83192 
1 1 1   14    5   12 o   32.212   13.490   26.596  222.760   64.946  613.033   20.762  239.104   52.821   22.263   33.092   13.923 19.72859 26.25823 
1 1 1   14    5   13 o  202.799   5.0237  6284.85  310.961  5566.97  585.169  6567.35  367.081  190.215   10.115  207.260   5.8027 -17.04539 11.66157 
1 1 1   14    5   14 o   58.857   3.3158  530.658   59.324  502.823   83.677  558.788   84.118   57.160   4.8417   60.301   4.6052 -3.140331 6.682028 
1 1 1   14    5   15 o  371.024   7.4895 21072.81  848.150 19176.46  1562.56 21864.91  1009.86  352.451   14.525  377.721   8.7594 -25.26947 16.96190 
1 1 1   14    5   16 o  203.072   3.3332  6297.31  206.597  6156.65  291.399  6439.48  292.951  200.727   4.7563  205.290   4.6753 -4.563156 6.669383 
1 1 1   14    5   17 o  528.781   12.543 43053.79  2024.35 43222.85  5255.49 43024.33  2193.62  514.985   33.619  528.186   13.607 -13.20044 36.26867 
1 1 1   14    5   18 o  213.440   6.5574  6969.85  427.197  6735.32  467.853  8146.08  1047.74  209.755   7.3077  229.054   15.071 -19.29898 16.74882 
1 1 1   14    5   19 o  356.355   8.8614 19470.10  963.831 19470.10  963.831   0.0000   0.0000  356.355   8.8614  ?   ?  0.000000 8.861364 
1 1 1   14    5   20 o   96.193   5.7229  1419.90  167.267  1419.90  167.267   0.0000   0.0000   96.193   5.7229  ?   ?  0.000000 5.722888 
1 1 1   14    5   21 o  181.505   3.0113  5030.46  166.824  5057.30  239.410  5005.13  232.587  181.936   4.3113  181.000   4.2101 0.9360962 6.025933 
1 1 1   14    5   22 o  106.163   4.4882  1722.17  145.432  1627.28  173.053  1950.33  268.334  103.016   5.5238  112.560   7.8597 -9.543976 9.606674 
1 1 1   14    5   23 o  184.964   4.2048  5226.89  237.380  5105.04  369.352  5312.65  309.846  182.645   6.6255  186.405   5.4459 -3.760132 8.576425 
1 1 1   14    5   24 o  122.332   3.0819  2285.24  115.073  1997.55  202.969  2421.51  139.694  114.135   5.8459  125.912   3.6349 -11.77715 6.883863 
1 1 1   14    5   25 o  165.039   3.7986  4160.66  191.351  4371.01  284.235  3986.30  258.775  169.074   5.5079  161.476   5.2505 7.597534 7.609467 
1 1 1   14    5   26 o   70.002   3.0639  748.287   65.464  801.595   95.795  701.581   89.668   72.299   4.3615   67.620   4.3679 4.678360 6.172611 
1 1 1   14    5   27 o  136.274   4.1775  2837.29  173.759  2957.93  209.758  2573.46  310.190  139.110   4.9402  129.358   7.8941 9.751724 9.312455 
1 1 1   14    5   28 o   71.007   4.4316  773.448   95.566  732.294  568.778  774.643   96.945   69.494   23.017   71.057   4.4930 -1.563156 23.45167 
1 1 1   14    5   29 f  348.653   7.7613 18625.47  825.937 20268.95  2351.72 18394.23  882.130  358.340   21.603  346.375   8.3439 11.96469 23.15810 
1 1 1   14    5   30 o  104.662   2.8278  1672.64   90.336  1752.51  132.942  1604.14  123.131  107.101   4.0668  102.470   3.9369 4.630280 5.660205 
1 1 1   14    5   31 o  169.658   3.3921  4396.29  175.657  4558.15  219.502  4108.02  292.927  172.718   4.1637  163.872   5.8565 8.846558 7.185771 
1 1 1   14    5   32 o  154.332   4.2852  3639.74  201.857  3597.75  214.231  3972.12  602.672  153.424   4.5748  159.975   12.441 -6.550705 13.25506 
1 1 1   14    5   33 o  157.442   5.0607  3790.18  243.193  3863.46  269.354  3467.00  565.692  158.926   5.5528  149.345   12.526 9.580963 13.70132 
1 1 1   14    5   34 o  110.237   4.1223  1857.02  138.703  1837.86  151.328  1957.69  346.878  109.652   4.5215  112.351   10.227 -2.698357 11.18232 
1 1 1   14    5   35 o  122.021   4.0322  2275.29  150.174   0.0000   0.0000  2275.29  150.174  ?   ?   122.021   4.0322 0.000000 4.032204 
1 1 1   14    5   36 o  134.680   4.4613  2772.91  183.394  2461.42  457.133  2832.66  200.212  125.657   12.067  136.104   4.8195 -10.44681 12.99423 
1 1 1   14    5   37 o  234.313   4.9016  8397.11  350.549  8417.16  477.249  8373.63  516.586  234.374   6.6714  233.683   7.2427 0.6911621 9.847033 
1 1 1   14    5   38 o   51.287   6.6039  409.697  100.975 -48.7074  591.768  423.443  102.477   49.042   21.292   52.157   6.5839 -3.115047 22.28675 
1 1 1   14    5   39 o   35.519   6.4073  199.242   66.907  194.726  115.286  201.535   82.159   35.162   10.167   35.544   7.7882 -0.3823357 12.80683 
1 1 1   14    5   40 f  260.397   7.1301 10406.91  566.690 10561.76  1541.58 10382.71  609.355  256.823   19.819  259.976   7.6793 -3.153168 21.25501 
1 1 1   14    5   41 o  282.592   6.1893 12243.87  533.853 12273.08  1135.05 12235.58  604.940  280.614   13.252  282.309   7.0205 -1.695313 14.99696 
1 1 1   14    5   42 o  146.364   8.1862  3308.33  364.240  3263.17  400.230  3526.08  878.866  145.162   9.0788  146.979   20.119 -1.817688 22.07244 
1 1 1   14    5   43 o  162.540   3.8845  4040.75  192.715  4090.94  262.289  3981.86  284.095  163.397   5.2592  161.137   5.7763 2.260010 7.811855 
1 1 1   14    5   44 o   54.093   7.6122  459.331  122.204  460.920  128.518  444.339  394.729   54.107   8.0253   54.753   19.156 -0.6464424 20.76880 
1 1 1   14    5   45 o  203.231   4.5355  6326.74  281.340  6538.03  385.861  6086.93  411.086  206.281   6.1285  198.889   6.7718 7.391724 9.133255 
1 1 1   14    5   46 o   82.041   5.2417  1037.00  130.571  851.578  589.851  1046.56  133.893   71.205   23.433   82.403   5.3525 -11.19784 24.03638 
1 1 1   14    5   47 o  143.208   4.9582  3146.92  216.723  3186.74  258.283  3052.19  398.399  143.952   5.8784  139.759   9.3940 4.193054 11.08167 
1 1 1   14    5   48 o   40.536   12.444  261.702  168.737   0.0000   0.0000  261.702  168.737  ?   ?    40.536   12.444 0.000000 12.44431 
1 1 1   14    5   49 o   49.831   14.707  409.065  239.062   0.0000   0.0000  409.065  239.062  ?   ?    49.831   14.707 0.000000 14.70704 
1 1 1   14    6    0 o  125.311   4.6946  2407.94  178.984  2407.94  178.984  2407.94  178.984  125.311   4.6946  125.311   4.6946 0.000000 0.000000 
1 1 1   14    6    1 o  541.265   8.1578 44854.07  1347.72 43693.41  1676.54 46974.09  2265.85  533.710   10.292  552.393   13.439 -18.68286 16.92709 
1 1 1   14    6    2 o  299.746   8.9949 13765.53  822.937 12514.88  898.009 20321.22  2056.00  285.632   10.300  361.397   18.703 -75.76523 21.35187 
1 1 1   14    6    3 o  580.577   10.925 51739.23  1935.96 57027.90  2616.41 45340.36  2877.96  608.364   14.090  541.085   17.426 67.27911 22.41013 
1 1 1   14    6    4 o  564.217   18.280 49376.25  3148.08 44541.57  5442.36 51807.33  3859.24  524.544   34.180  575.895   21.955 -51.35114 40.62368 
1 1 1   14    6    5 o  234.565   11.341  8449.94  811.925  8636.42  1162.44  8272.31  1134.54  235.823   16.249  230.786   16.209 5.036530 22.95126 
1 1 1   14    6    6 o  259.647   4.3125 10298.06  341.767  9224.43  855.233 10502.10  372.830  245.060   11.434  262.187   4.6589 -17.12717 12.34667 
1 1 1   14    6    7 o  248.644   9.3602  9476.42  710.360  9476.42  710.360   0.0000   0.0000  248.644   9.3602  ?   ?  0.000000 9.360177 
1 1 1   14    6    8 o  113.820   7.7258  1992.11  266.807  1992.11  266.807   0.0000   0.0000  113.820   7.7258  ?   ?  0.000000 7.725797 
1 1 1   14    6    9 o  476.143   8.4958 34726.92  1234.69 34726.92  1234.69   0.0000   0.0000  476.143   8.4958  ?   ?  0.000000 8.495783 
1 1 1   14    6   10 o  277.354   4.4529 11751.76  376.957 11763.96  455.773 11725.34  670.628  277.432   5.3824  276.732   7.9397 0.7002869 9.592151 
1 1 1   14    6   11 o  295.671   8.6105 13393.66  777.063   0.0000   0.0000 13393.66  777.063  ?   ?   295.671   8.6105 0.000000 8.610547 
1 1 1   14    6   12 o  297.400   7.4920 13538.54  680.075 12679.33  1621.80 13721.86  749.119  284.988   18.749  299.318   8.1998 -14.32980 20.46395 
1 1 1   14    6   13 o  369.200   12.430 20977.28  1400.74 20443.46  1713.97 22050.86  2430.65  363.649   15.442  374.941   21.328 -11.29218 26.33098 
1 1 1   14    6   14 o  296.435   5.8071 13435.57  525.420 13465.82  552.463 13149.13  1700.19  296.740   6.0997  289.945   19.322 6.795044 20.26231 
1 1 1   14    6   15 o  247.474   10.071  9399.88  760.737  9441.42  952.933  9326.90  1263.17  247.296   12.667  244.661   17.021 2.634796 21.21766 
1 1 1   14    6   16 o  177.693   5.7734  4827.93  313.128  4709.50  342.307  5435.04  775.063  175.463   6.3917  187.233   13.657 -11.77002 15.07835 
1 1 1   14    6   17 o  136.125   3.7329  2830.18  155.094  3007.20  223.629  2666.13  215.283  140.262   5.2236  132.064   5.3408 8.198318 7.470618 
1 1 1   14    6   18 o  177.075   4.1973  4790.22  226.853  4794.39  318.782  4785.94  322.895  177.061   5.8987  176.900   5.9802 0.1611938 8.399834 
1 1 1   14    6   19 o  283.590   5.6371 12297.17  487.940 12248.01  508.798 12860.09  1721.77  282.998   5.8904  286.260   19.828 -3.262482 20.68451 
1 1 1   14    6   20 o  270.418   4.7244 11175.19  389.941 11417.93  476.052 10680.24  679.782  273.253   5.7078  263.965   8.4373 9.287506 10.18666 
1 1 1   14    6   21 o  310.077   5.8590 14704.68  554.514 14860.55  1357.34 14673.45  607.524  310.067   14.342  309.680   6.4274 0.3863525 15.71659 
1 1 1   14    6   22 o  192.044   3.7685  5633.50  220.895  6101.95  330.243  5254.22  297.155  199.774   5.4160  185.389   5.2515 14.38547 7.543942 
1 1 1   14    6   23 o  240.183   4.3009  8814.22  315.294  9956.38  489.246  8002.92  412.339  255.100   6.2835  228.743   5.9059 26.35715 8.623341 
1 1 1   14    6   24 o   82.902   5.2406  1054.89  131.925  903.906  158.612  1393.78  237.633   76.540   6.8623   95.001   8.2779 -18.46083 10.75243 
1 1 1   14    6   25 o  184.500   3.8085  5199.81  214.469  5147.07  317.297  5244.17  291.013  183.458   5.6665  185.214   5.1478 -1.755875 7.655638 
1 1 1   14    6   26 f  163.536   3.3687  4084.46  168.149  3652.85  284.066  4317.27  208.626  154.529   6.0227  168.104   4.0661 -13.57443 7.266751 
1 1 1   14    6   27 o   61.820   4.7645  587.564   89.208  474.510  503.225  591.232   90.643   59.641   21.549   62.008   4.8273 -2.366924 22.08321 
1 1 1   14    6   28 o  123.053   4.0268  2313.35  151.242  2373.22  667.696  2310.12  155.277  122.043   18.505  122.964   4.1373 -0.9211884 18.96188 
1 1 1   14    6   29 o  228.249   4.5627  7961.91  317.871  8002.24  345.920  7743.08  805.859  228.798   4.9534  223.887   11.835 4.911148 12.82957 
1 1 1   14    6   30 o  492.103   6.3914 37061.78  960.001 36173.43  1392.83 37865.71  1325.00  485.372   9.4017  496.802   8.7381 -11.42975 12.83534 
1 1 1   14    6   31 o  109.302   5.0852  1826.62  169.651  1819.58  191.485  1852.35  365.839  108.910   5.7811  109.136   11.139 -0.2266006 12.54955 
1 1 1   14    6   32 o  362.757   7.2659 20160.95  804.489 20160.95  804.489   0.0000   0.0000  362.757   7.2659  ?   ?  0.000000 7.265866 
1 1 1   14    6   33 o  250.029   5.4672  9562.35  417.223  9222.16  594.466  9892.61  585.717  245.228   7.9422  254.044   7.5537 -8.816330 10.96069 
1 1 1   14    6   34 o  162.480   5.6869  4039.38  282.028  4058.92  306.656  3932.17  718.263  162.835   6.1700  158.409   15.036 4.425766 16.25241 
1 1 1   14    6   35 o  503.190   32.997 42329.75  5039.83   0.0000   0.0000 42329.75  5039.83  ?   ?   503.190   32.997 0.000000 32.99736 
1 1 1   14    6   36 o  271.784   8.1447 11339.70  675.644   0.0000   0.0000 11339.70  675.644  ?   ?   271.784   8.1447 0.000000 8.144739 
1 1 1   14    6   37 o  245.575   3.6354  9215.10  272.490  9496.11  392.659  8954.06  378.453  249.133   5.1638  241.922   5.1253 7.210388 7.275519 
1 1 1   14    6   38 o  144.721   3.0122  3199.26  133.057  3220.16  196.282  3181.49  180.990  145.116   4.4315  144.262   4.1104 0.8538513 6.044308 
1 1 1   14    6   39 o  123.914   4.4300  2348.30  167.549  2764.00  240.935  1959.01  233.156  134.327   5.8765  112.813   6.8031 21.51350 8.989744 
1 1 1   14    6   40 o  168.633   4.2262  4348.89  217.525  4288.29  324.829  4398.17  292.897  167.233   6.3638  169.445   5.6633 -2.212219 8.518846 
1 1 1   14    6   41 o  166.403   3.3711  4231.91  171.217  4575.64  319.907  4093.92  202.691  172.750   6.0672  163.614   4.0588 9.135452 7.299649 
1 1 1   14    6   42 o  143.629   3.2829  3153.01  143.917  3286.43  176.786  2890.86  247.808  146.587   3.9512  137.298   5.9134 9.289566 7.111968 
1 1 1   14    6   43 o   91.375   4.8372  1282.34  134.428  1314.66  149.452  1145.39  307.637   92.462   5.3181   84.852   12.232 7.609421 13.33784 
1 1 1   14    6   44 o  104.532   3.9371  1672.00  125.616  1667.48  130.137  1733.64  480.698  104.380   4.0848  103.392   15.728 0.9882660 16.25013 
1 1 1   14    6   45 f  118.366   4.7346  2147.31  171.052  2263.72  371.927  2116.08  192.634  120.185   10.236  117.430   5.3745 2.755646 11.56153 
1 1 1   14    6   46 o  210.933   4.8184  6823.47  310.216  7234.16  446.365  6439.79  431.439  216.678   6.7493  204.387   6.9159 12.29120 9.663461 
1 1 1   14    6   47 o   88.497   3.4642  1198.56   93.572   0.0000   0.0000  1198.56   93.572  ?   ?    88.497   3.4642 0.000000 3.464169 
1 1 1   14    6   48 o  113.271   4.6324  1968.73  160.157   0.0000   0.0000  1968.73  160.157  ?   ?   113.271   4.6324 0.000000 4.632432 
1 1 1   14    7    0 o  218.691   10.312  7369.29  684.839  7369.29  684.839  7369.29  684.839  218.691   10.312  218.691   10.312 0.000000 0.000000 
1 1 1   14    7    1 o  258.556   4.8787 10214.48  385.013  9782.86  542.916 10651.13  546.078  252.870   7.0342  263.877   6.7801 -11.00639 9.769871 
1 1 1   14    7    2 o  187.421   5.6731  5369.47  324.533  5909.13  820.714  5269.45  353.330  195.352   13.854  185.636   6.2359 9.715637 15.19300 
1 1 1   14    7    3 o  105.573   7.8613  1715.64  251.502  1484.08  405.922  1859.91  320.413   97.145   14.102  109.717   9.6668 -12.57186 17.09727 
1 1 1   14    7    4 o   84.097   3.4998  1079.98   89.834  1282.40  172.292  1004.40  105.277   91.368   6.2150   80.976   4.2747 10.39206 7.543192 
1 1 1   14    7    5 o   96.186   3.5163  1412.83  103.233  1633.38  184.384  1312.13  124.590  103.196   5.8782   92.679   4.4044 10.51772 7.345201 
1 1 1   14    7    6 o  241.159   4.4334  8884.53  326.327  9316.50  451.668  8412.81  471.996  246.848   5.9948  234.525   6.5937 12.32289 8.911495 
1 1 1   14    7    7 o   38.539   4.9384  230.662   56.754  231.734   59.254  218.757  197.472   38.600   5.1584   39.469   13.563 -0.8696289 14.51117 
1 1 1   14    7    8 o  319.051   6.5854 15570.39  641.299 15707.31  688.318 14669.71  1765.43  320.399   7.0385  306.593   18.959 13.80542 20.22306 
1 1 1   14    7    9 o  192.437   5.0408  5659.15  296.074  5599.22  555.661  5682.90  349.878  191.082   9.5274  192.789   5.9459 -1.706604 11.23050 
1 1 1   14    7   10 o  206.767   4.6418  6532.16  292.945  6644.90  415.948  6421.20  412.647  208.425   6.5384  204.882   6.5987 3.542740 9.289426 
1 1 1   14    7   11 o  149.981   5.4316  3438.46  248.648   0.0000   0.0000  3438.46  248.648  ?   ?   149.981   5.4316 0.000000 5.431635 
1 1 1   14    7   12 o   77.987   4.1897  931.763   99.363  949.696  218.188  927.071  111.608   78.149   9.3318   77.749   4.7255 0.4002914 10.46002 
1 1 1   14    7   13 o  214.626   4.3950  7037.58  287.913  7344.17  395.846  6693.20  419.527  219.154   5.9178  209.168   6.5713 9.986145 8.843177 
1 1 1   14    7   14 o  195.522   4.5532  5841.12  271.723  5232.89  385.692  6440.50  382.873  184.925   6.8333  205.211   6.1128 -20.28610 9.168386 
1 1 1   14    7   15 o  191.904   4.4751  5626.81  262.121  5428.63  372.442  5821.31  368.972  188.374   6.4777  195.088   6.1965 -6.714188 8.964217 
1 1 1   14    7   16 o  110.507   4.5450  1865.93  153.299  1886.07  404.889  1862.56  165.630  110.016   12.267  110.395   4.9155 -0.3795929 13.21477 
1 1 1   14    7   17 o  205.768   3.8968  6467.53  244.738  6225.48  303.456  6917.94  413.949  201.825   4.9261  212.649   6.3777 -10.82356 8.058667 
1 1 1   14    7   18 o  218.710   4.0519  7307.39  270.486  7107.54  333.480  7691.71  462.441  215.638   5.0667  224.188   6.7582 -8.549698 8.446564 
1 1 1   14    7   19 o  306.932   8.4244 14440.45  789.223 14440.45  789.223   0.0000   0.0000  306.932   8.4244  ?   ?  0.000000 8.424439 
1 1 1   14    7   20 o  184.165   11.283  5236.56  631.168  5236.56  631.168   0.0000   0.0000  184.165   11.283  ?   ?  0.000000 11.28288 
1 1 1   14    7   21 o   16.570   6.6958   17.555   52.393   33.813   86.975   8.2943   65.640   21.630   8.6669   17.571   7.3376 4.058807 11.35583 
1 1 1   14    7   22 o  180.806   3.5150  4992.94  193.977  4989.38  245.182  4998.91  317.158  180.699   4.4455  180.794   5.7474 -0.9579468E-01 7.266015 
1 1 1   14    7   23 o  242.207   4.3009  8963.56  317.954  9659.83  552.928  8619.59  388.636  251.167   7.2125  237.436   5.3626 13.73106 8.987700 
1 1 1   14    7   24 o  226.823   5.8306  7868.95  403.660  7651.60  508.346  8239.90  664.099  223.512   7.4514  231.701   9.3905 -8.188995 11.98770 
1 1 1   14    7   25 f  283.213   6.9326 12279.32  599.280 13291.10  1206.88 11948.21  690.410  293.378   13.478  279.209   8.1014 14.16901 15.72526 
1 1 1   14    7   26 f  112.042   5.6007  1919.74  191.532  1909.20  609.402  1920.89  201.755  109.093   18.992  111.906   5.9280 -2.813217 19.89532 
1 1 1   14    7   27 o  211.611   6.0520  6850.52  390.893  8385.49  1104.90  6630.92  417.921  232.006   15.695  208.146   6.5782 23.86024 17.01805 
1 1 1   14    7   28 o   19.114   7.3882   35.631   61.233   54.869  118.278   28.587   71.571   25.701   10.169   19.681   7.8705 6.020294 12.85898 
1 1 1   14    7   29 o  363.834   7.0376 20271.38  781.531 20032.27  818.418 22746.00  2632.89  361.614   7.4150  378.625   22.890 -17.01132 24.06145 
1 1 1   14    7   30 o  269.653   4.6109 11113.64  379.498 11615.23  467.233 10141.23  650.553  275.577   5.5549  257.152   8.2885 18.42505 9.977773 
1 1 1   14    7   31 o   60.123   7.8749  563.525  141.037  563.525  141.037   0.0000   0.0000   60.123   7.8749  ?   ?  0.000000 7.874874 
1 1 1   14    7   32 o  376.552   8.6060 21761.82  989.106 22484.56  1090.77 18417.63  2346.30  382.561   9.3414  340.052   22.737 42.50964 24.58108 
1 1 1   14    7   33 o  239.301   5.7502  8762.38  419.995  9113.17  501.882  7942.69  767.189  243.923   6.7411  227.024   11.072 16.89966 12.96244 
1 1 1   14    7   34 o  108.722   5.2539  1808.13  174.349   0.0000   0.0000  1808.13  174.349  ?   ?   108.722   5.2539 0.000000 5.253932 
1 1 1   14    7   35 o  194.340   4.1621  5772.69  246.885  6772.27  384.208  5069.67  322.212  210.323   5.9850  181.992   5.8006 28.33165 8.334684 
1 1 1   14    7   36 o   62.452   4.0662  598.656   77.086  674.437  172.270  579.683   86.198   65.665   8.8181   61.396   4.6339 4.269024 9.961529 
1 1 1   14    7   37 o  106.442   3.3759  1731.02  109.677  1750.19  761.211  1730.61  110.833  102.124   24.692  106.428   3.4119 -4.303612 24.92702 
1 1 1   14    7   38 o   23.351   7.9982   76.581   68.648 -61.8401  158.885  108.353   76.120   24.016   10.704   26.703   8.3850 -2.686808 13.59699 
1 1 1   14    7   39 o   47.944   11.798  370.323  171.467   0.0000   0.0000  370.323  171.467  ?   ?    47.944   11.798 0.000000 11.79769 
1 1 1   14    7   40 o  160.949   3.9280  3960.91  192.965  4150.03  306.633  3836.90  248.294  164.525   6.1062  158.303   5.1388 6.222504 7.980772 
1 1 1   14    7   41 o  125.705   2.8752  2414.24  110.315  2518.08  165.489  2331.19  147.992  128.297   4.2260  123.465   3.9271 4.832497 5.769040 
1 1 1   14    7   42 o  155.911   3.5583  3716.71  169.331  3760.82  212.545  3640.06  280.163  156.752   4.4424  154.035   5.9590 2.716827 7.432710 
1 1 1   14    7   43 o   61.463   4.7099  581.984   87.685  577.409  152.707  584.235  107.101   60.584   8.4915   61.437   5.7793 -0.8531189 10.27159 
1 1 1   14    7   44 o  128.105   4.1776  2512.51  163.345  2565.34  349.816  2497.78  184.720  128.405   8.9822  127.670   4.7403 0.7344894 10.15634 
1 1 1   14    7   45 o  157.194   5.9285  3797.99  284.446  3711.50  310.848  4243.22  705.287  155.271   6.5591  162.826   14.338 -7.554779 15.76677 
1 1 1   14    7   46 o  100.044   4.9551  1535.86  151.306  1353.75  634.545  1546.84  155.800   87.390   23.346  100.256   5.1084 -12.86521 23.89839 
1 1 1   14    7   47 o  105.829   4.8785  1719.21  157.584   0.0000   0.0000  1719.21  157.584  ?   ?   105.829   4.8785 0.000000 4.878517 
1 1 1   14    7   48 o   44.203   6.2862  307.159   82.423   0.0000   0.0000  307.159   82.423  ?   ?    44.203   6.2862 0.000000 6.286164 
1 1 1   14    8    1 o  355.351   10.337 19379.79  1121.21 31446.17  2770.47 17016.46  1226.11  449.108   20.211  332.639   12.076 116.4691 23.54402 
1 1 1   14    8    2 o  425.476   7.2832 27704.83  945.838 25781.59  3202.83 27888.58  989.991  403.009   26.179  426.832   7.5990 -23.82211 27.26007 
1 1 1   14    8    3 o  655.287   13.185 66136.98  2637.16 65266.44  3004.55 69057.96  5503.60  650.011   15.144  659.717   27.332 -9.706726 31.24709 
1 1 1   14    8    4 o   95.623   3.9390  1396.59  114.963  3284.91  348.932  1166.65  121.762  146.264   7.8446   87.264   4.5876 59.00060 9.087579 
1 1 1   14    8    5 o   95.072   3.9591  1380.58  114.885  1411.73  133.554  1291.91  225.298   96.126   4.5520   91.485   8.1539 4.641068 9.338453 
1 1 1   14    8    6 o   59.802   3.6068  548.158   65.528  749.052  121.900  466.515   77.711   69.758   5.7773   55.060   4.6681 14.69805 7.427497 
1 1 1   14    8    7 o  464.990   16.196 33469.50  2298.61 32324.66  2815.40 35758.29  3980.80  455.154   20.266  473.557   27.661 -18.40268 34.29072 
1 1 1   14    8    8 o  443.654   11.444 30255.24  1549.63 30255.24  1549.63   0.0000   0.0000  443.654   11.444  ?   ?  0.000000 11.44372 
1 1 1   14    8    9 o  365.715   15.472 20683.59  1727.03 20683.59  1727.03   0.0000   0.0000  365.715   15.472  ?   ?  0.000000 15.47178 
1 1 1   14    8   10 o  425.677   11.874 27873.24  1542.79 27873.24  1542.79   0.0000   0.0000  425.677   11.874  ?   ?  0.000000 11.87436 
1 1 1   14    8   11 o  243.053   4.9849  9028.27  369.805  9141.69  505.759  8897.96  542.094  244.428   6.7792  241.090   7.3668 3.337402 10.01133 
1 1 1   14    8   12 o  415.573   13.508 26634.69  1713.33 25914.62  2102.68 28057.38  2955.55  408.728   16.855  421.763   23.046 -13.03558 28.55191 
1 1 1   14    8   13 o  130.085   12.531  2629.71  491.394   0.0000   0.0000  2629.71  491.394  ?   ?   130.085   12.531 0.000000 12.53121 
1 1 1   14    8   14 o  294.831   13.605 13412.19  1224.31 13137.99  1741.79 13679.96  1721.27  289.398   19.839  295.591   19.182 -6.192993 27.59568 
1 1 1   14    8   15 o  235.416   4.9165  8470.19  353.275  8485.29  483.927  8452.96  516.916  235.475   6.7331  234.979   7.2073 0.4958344 9.863084 
1 1 1   14    8   16 o  396.698   7.5079 24099.39  909.061 24360.35  1232.22 23787.75  1346.59  398.276   10.136  393.291   11.218 4.985321 15.11906 
1 1 1   14    8   17 o   94.954   3.6180  1377.09  104.858  1534.00  164.691  1270.12  135.982  100.021   5.4148   91.028   4.9125 8.993210 7.311126 
1 1 1   14    8   18 o  259.199   5.3871 10271.76  426.192 10204.03  582.637 10349.72  625.048  258.135   7.3949  259.911   7.8790 -1.776154 10.80572 
1 1 1   14    8   19 o  173.563   4.4213  4602.98  234.218  4602.98  234.218   0.0000   0.0000  173.563   4.4213  ?   ?  0.000000 4.421270 
1 1 1   14    8   20 o  182.890   5.9075  5116.08  329.770  5116.08  329.770   0.0000   0.0000  182.890   5.9075  ?   ?  0.000000 5.907494 
1 1 1   14    8   21 o   96.380   3.5686  1418.78  104.978  1541.42  155.603  1316.33  142.220  100.287   5.1002   92.660   5.0477 7.627281 7.175778 
1 1 1   14    8   22 o  356.447   5.8323 19432.83  634.533 19680.18  778.845 18944.55  1094.27  358.514   7.1175  351.140   10.210 7.373962 12.44602 
1 1 1   14    8   23 o  222.204   4.9346  7547.14  334.675  7833.95  482.173  7280.51  464.904  226.207   6.9836  218.070   6.9847 8.136719 9.877110 
1 1 1   14    8   24 o  107.100   5.0157  1753.41  163.961   0.0000   0.0000  1753.41  163.961  ?   ?   107.100   5.0157 0.000000 5.015713 
1 1 1   14    8   25 o  254.770   4.9458  9921.75  384.592  9922.17  1367.48  9921.72  400.768  251.724   17.915  254.752   5.1542 -3.028015 18.64191 
1 1 1   14    8   26 o  266.907   5.7704 10896.23  470.093 10644.49  695.397 11108.08  637.936  263.441   8.6483  269.247   7.7626 -5.806152 11.62121 
1 1 1   14    8   27 o  234.443   4.9463  8402.10  353.943  8396.61  386.115  8430.97  885.683  234.329   5.3985  233.483   12.473 0.8464966 13.59141 
1 1 1   14    8   28 o  247.371   4.0848  9349.54  308.419  9526.81  402.304  9096.83  480.337  249.608   5.2806  243.793   6.4552 5.814804 8.339881 
1 1 1   14    8   29 o  294.977   6.2953 13316.72  566.791 13723.00  660.848 12186.39  1102.28  299.307   7.2338  280.921   12.856 18.38632 14.75109 
1 1 1   14    8   30 o  293.382   7.7593 13194.33  694.826 13270.33  766.864 12845.92  1642.05  294.087   8.5433  285.782   18.932 8.305634 20.77057 
1 1 1   14    8   31 o  211.046   6.6308  6820.32  427.128  6697.97  473.048  7360.33  993.799  209.056   7.4135  217.225   15.082 -8.169342 16.80593 
1 1 1   14    8   32 o  190.846   4.2748  5566.56  249.009  5544.06  381.793  5583.21  328.492  190.270   6.5742  191.028   5.6339 -0.7580872 8.657977 
1 1 1   14    8   33 o  328.726   6.3318 16546.69  635.300 16741.97  950.683 16389.12  853.976  329.985   9.4390  326.703   8.5640 3.281799 12.74502 
1 1 1   14    8   34 o  229.582   4.6243  8058.99  324.039  8604.55  507.604  7683.75  420.976  236.936   7.0190  224.011   6.1570 12.92473 9.336815 
1 1 1   14    8   35 o   79.787   4.2666  975.941  103.529  857.451  686.786  978.696  104.725   74.675   25.299   79.896   4.3104 -5.221123 25.66399 
1 1 1   14    8   36 o  171.363   3.3571  4486.45  175.592  4684.08  233.680  4230.14  266.119  175.029   4.3742  166.263   5.2440 8.765594 6.828827 
1 1 1   14    8   37 o  224.927   3.3528  7730.10  230.177  8080.03  336.668  7422.96  315.410  229.820   4.7995  220.289   4.6910 9.530746 6.711253 
1 1 1   14    8   38 o  205.066   5.8982  6442.82  369.170  6178.86  1069.16  6478.55  393.363  196.921   17.987  205.581   6.2689 -8.660660 19.04796 
1 1 1   14    8   39 o   82.412   13.203  1083.12  320.905  1051.42  662.790  1092.83  366.760   79.719   24.695   82.274   15.164 -2.555435 28.97905 
1 1 1   14    8   40 o  106.903   4.1434  1748.03  135.195  1956.11  522.968  1733.13  139.953  110.338   15.995  106.436   4.3080 3.901459 16.56501 
1 1 1   14    8   41 o   23.664   6.0214   89.208   43.598  133.452  152.564   85.273   45.495   32.394   11.840   23.190   6.2750 9.203373 13.40044 
1 1 1   14    8   42 o  258.302   5.6929 10235.03  448.828 10235.03  448.828   0.0000   0.0000  258.302   5.6929  ?   ?  0.000000 5.692934 
1 1 1   14    8   43 o   83.749   3.5996  1072.87   92.013  1007.09  127.803  1143.67  132.581   80.874   5.2051   86.225   5.0598 -5.350769 7.259109 
1 1 1   14    8   44 o  133.039   2.6993  2705.01  109.611  3022.14  172.482  2490.18  141.964  140.498   4.0221  127.571   3.6459 12.92720 5.428655 
1 1 1   14    8   45 o   40.061   5.0578  250.132   60.467  290.028  607.517  249.732   60.768   55.421   22.650   40.023   5.0896 15.39791 23.21443 
1 1 1   14    8   46 o   60.423   5.1317  564.630   93.745   0.0000   0.0000  564.630   93.745  ?   ?    60.423   5.1317 0.000000 5.131717 
1 1 1   14    8   47 o  177.920   6.1366  4878.27  333.248   0.0000   0.0000  4878.27  333.248  ?   ?   177.920   6.1366 0.000000 6.136561 
1 1 1   14    9    0 o  364.083   24.303 20863.86  2673.14 20863.86  2673.14 20863.86  2673.14  364.083   24.303  364.083   24.303 0.000000 0.000000 
1 1 1   14    9    1 o  410.873   8.5097 25866.98  1067.18 22850.90  1967.58 27124.04  1270.25  383.957   16.789  420.440   9.8984 -36.48331 19.49002 
1 1 1   14    9    2 o  147.645   5.0178  3331.47  226.124  3331.47  226.124   0.0000   0.0000  147.645   5.0178  ?   ?  0.000000 5.017752 
1 1 1   14    9    3 o  224.257   9.1836  7711.16  628.605  8295.59  794.205  6731.04  1028.51  232.335   11.200  207.855   16.344 24.47951 19.81264 
1 1 1   14    9    4 o   34.774   5.5154  189.406   56.585  217.082   62.765   69.264  130.772   37.255   5.7011   27.507   10.751 9.747789 12.16891 
1 1 1   14    9    5 o  107.175   4.0969  1754.64  134.020  1745.19  411.974  1755.76  141.730  105.653   13.053  107.203   4.3315 -1.550858 13.75280 
1 1 1   14    9    6 o  223.092   8.5989  7627.38  585.521  7237.82  715.087  8419.92  1019.96  217.059   10.794  233.088   14.407 -16.02849 18.00190 
1 1 1   14    9    7 o   86.625   3.8366  1146.16  101.439  1161.78  109.590  1052.69  268.039   87.208   4.1172   82.058   10.977 5.150558 11.72372 
1 1 1   14    9    8 o  200.230   5.1378  6127.83  313.994  6100.17  339.994  6288.25  818.691  199.750   5.5766  201.517   13.387 -1.766830 14.50166 
1 1 1   14    9    9 o  362.837   6.4056 20139.59  709.391 20835.92  970.861 19341.98  1039.07  368.698   8.6272  355.054   9.5881 13.64420 12.89808 
1 1 1   14    9   10 o   85.097   3.7518  1106.05   97.448  1027.77  213.233  1126.72  109.558   81.423   8.7154   85.880   4.1796 -4.456261 9.665779 
1 1 1   14    9   11 o   42.908   8.4874  292.019  107.219  196.339  123.359  587.577  216.811   35.539   10.583   60.732   12.121 -25.19231 16.09104 
1 1 1   14    9   12 o  224.466   3.9444  7696.56  270.243  7817.08  335.806  7475.04  455.259  226.161   4.8647  221.012   6.7488 5.148987 8.319310 
1 1 1   14    9   13 o  204.994   4.4954  6421.05  281.273  6450.41  388.893  6388.85  407.305  205.348   6.2047  204.339   6.5306 1.008133 9.008167 
1 1 1   14    9   14 o  367.770   8.6613 20737.24  972.245 20268.80  1816.91 20925.19  1150.88  361.415   16.471  369.100   10.216 -7.684479 19.38152 
1 1 1   14    9   15 f  186.847   8.9110  5354.43  508.192  4860.31  642.855  6177.71  829.792  177.277   11.950  199.572   13.705 -22.29532 18.18388 
1 1 1   14    9   16 o  130.486   4.8376  2602.30  192.669  2558.84  208.814  2851.20  499.716  129.373   5.2881  135.513   12.213 -6.139633 13.30856 
1 1 1   14    9   17 o  184.917   4.3237  5224.64  244.031  5198.74  256.372  5474.46  796.134  184.446   4.5539  187.728   13.995 -3.282425 14.71725 
1 1 1   14    9   18 o  561.039   10.770 48395.52  1844.30 48395.52  1844.30   0.0000   0.0000  561.039   10.770  ?   ?  0.000000 10.77015 
1 1 1   14    9   19 o   25.273   8.4907   91.523   77.348   91.523   77.348   0.0000   0.0000   25.273   8.4907  ?   ?  0.000000 8.490688 
1 1 1   14    9   20 o  227.683   4.8186  7923.31  334.866  7973.61  461.832  7867.56  486.255  228.251   6.6291  226.687   7.0278 1.563202 9.661009 
1 1 1   14    9   21 o   95.954   4.6367  1407.09  135.795  1205.37  416.997  1431.02  143.624   86.759   16.347   96.635   4.8852 -9.876503 17.06115 
1 1 1   14    9   22 o  327.020   8.6158 16400.32  859.980 16332.64  2157.19 16413.11  937.717  321.315   22.131  326.997   9.3953 -5.682190 24.04254 
1 1 1   14    9   23 o  408.352   11.448 25669.21  1426.83   0.0000   0.0000 25669.21  1426.83  ?   ?   408.352   11.448 0.000000 11.44774 
1 1 1   14    9   24 o  412.610   8.2538 26099.92  1039.46 24464.76  1472.04 27726.14  1468.01  398.438   12.104  424.420   11.332 -25.98145 16.58118 
1 1 1   14    9   25 o   68.418   4.1105  717.771   85.441  558.153  137.336  818.564  109.133   59.870   7.6935   73.012   4.9260 -13.14219 9.135389 
1 1 1   14    9   26 o  391.910   7.1965 23524.02  860.847 22866.25  1222.83 24170.28  1212.08  385.648   10.389  396.596   10.013 -10.94815 14.42863 
1 1 1   14    9   27 o  148.018   3.5101  3346.51  158.581  3222.25  207.518  3520.93  245.859  145.195   4.6826  151.741   5.3084 -6.546799 7.078578 
1 1 1   14    9   28 f  128.549   3.1328  2523.67  122.919  2423.92  165.050  2647.89  184.188  125.943   4.2936  131.621   4.5848 -5.677689 6.281345 
1 1 1   14    9   29 f   72.247   4.2875  800.475   94.122  664.252  165.492  865.607  114.432   65.255   8.5116   75.074   5.0228 -9.819290 9.883175 
1 1 1   14    9   30 o  315.917   7.9736 15306.23  768.857 15550.51  847.919 14176.54  1823.44  318.273   8.7285  299.536   20.060 18.73669 21.87712 
1 1 1   14    9   31 o  125.795   5.3024  2420.45  203.588  2439.17  230.442  2353.87  434.563  126.241   5.9806  122.974   11.719 3.267357 13.15727 
1 1 1   14    9   32 o  296.600   4.6082 13449.55  417.172 13434.71  532.206 13473.18  671.837  296.270   5.8854  296.438   7.4253 -0.1684265 9.474847 
1 1 1   14    9   33 o  286.604   6.2984 12579.87  550.977 13268.59  1213.17 12400.89  618.437  292.480   13.590  284.419   7.1239 8.060547 15.34370 
1 1 1   14    9   34 o  348.984   5.3195 18635.61  566.617 19360.21  1018.12 18310.47  681.993  354.712   9.4039  345.709   6.4633 9.002869 11.41080 
1 1 1   14    9   35 o  172.239   3.4496  4532.75  181.349  4718.29  332.167  4453.96  216.456  175.499   6.2010  170.690   4.1547 4.808655 7.464226 
1 1 1   14    9   36 o  238.514   5.6656  8711.25  412.457  9152.00  943.883  8607.22  458.554  242.484   12.798  236.985   6.3395 5.498825 14.28251 
1 1 1   14    9   37 o  123.604   4.9567  2338.06  187.000  2550.88  725.141  2322.90  193.547  125.302   19.603  123.190   5.1475 2.112656 20.26739 
1 1 1   14    9   38 o  112.841   5.0294  1949.18  173.221  1909.10  217.677  2018.38  286.032  111.384   6.4302  114.241   8.2587 -2.856819 10.46674 
1 1 1   14    9   39 o  212.751   5.4760  6934.83  355.594  6701.15  436.281  7397.30  613.749  208.905   6.8423  218.953   9.1838 -10.04730 11.45247 
1 1 1   14    9   40 o  169.981   2.7821  4414.38  144.339  4330.82  237.236  4463.50  181.876  168.201   4.6210  170.870   3.4873 -2.669479 5.789227 
1 1 1   14    9   41 o   29.160   10.054  120.040  108.547  155.378  137.207   60.926  177.460   32.954   11.307   30.238   12.286 2.715403 16.69728 
1 1 1   14    9   42 o   80.626   6.5680  1006.02  160.227  957.530  190.640  1122.67  295.697   78.362   8.0869   83.977   11.867 -5.615349 14.36042 
1 1 1   14    9   43 o  238.929   4.1894  8741.75  305.521  8759.36  547.371  8733.77  368.216  238.272   7.5265  238.635   5.0553 -0.3637238 9.066669 
1 1 1   14    9   44 o   51.288   5.8418  409.486   89.818  308.667  657.475  411.403   90.668   57.336   23.512   51.403   5.8850 5.933132 24.23755 
1 1 1   14    9   45 o   67.570   17.152  772.016  354.369   0.0000   0.0000  772.016  354.369  ?   ?    67.570   17.152 0.000000 17.15233 
1 1 1   14    9   46 o  164.978   14.631  4408.77  729.096   0.0000   0.0000  4408.77  729.096  ?   ?   164.978   14.631 0.000000 14.63091 
1 1 1   14    9   47 o  132.822   4.7009  2708.72  190.575   0.0000   0.0000  2708.72  190.575  ?   ?   132.822   4.7009 0.000000 4.700887 
1 1 1   14   10    0 o  106.952   4.3384  1755.36  141.093  1755.36  141.093  1755.36  141.093  106.952   4.3384  106.952   4.3384 0.000000 0.000000 
1 1 1   14   10    1 o  395.474   13.994 24142.26  1689.22 24234.27  2070.12 23958.91  2922.27  395.098   17.166  388.599   24.767 6.499329 30.13425 
1 1 1   14   10    2 o  119.246   10.956  2203.37  394.284  2203.37  394.284   0.0000   0.0000  119.246   10.956  ?   ?  0.000000 10.95552 
1 1 1   14   10    3 o  149.561   8.6535  3440.06  393.340  3537.33  544.691  3334.06  568.614  151.160   11.902  146.552   12.841 4.607666 17.50890 
1 1 1   14   10    4 o  215.042   10.389  7102.21  681.919  6934.67  955.901  7275.84  973.086  211.276   14.919  216.460   14.818 -5.184479 21.02720 
1 1 1   14   10    5 o  411.432   8.5958 25946.87  1079.45 27481.34  1292.72 22412.84  1961.83  423.094   10.010  380.011   16.914 43.08295 19.65435 
1 1 1   14   10    6 o  206.488   5.1005  6517.04  321.458  6723.35  348.329  5332.50  834.646  209.708   5.4420  185.129   14.897 24.57961 15.86004 
1 1 1   14   10    7 o  252.306   4.9093  9729.05  378.063  9857.30  396.478  8443.79  1255.08  253.947   5.1152  232.363   17.832 21.58411 18.55156 
1 1 1   14   10    8 f  198.317   4.9663  6011.12  300.615  6059.39  348.920  5872.07  592.161  199.061   5.7428  195.319   9.9661 3.742828 11.50231 
1 1 1   14   10    9 o  270.980   4.4634 11219.97  369.169 11329.64  463.161 11028.92  611.314  272.209   5.5746  268.371   7.4630 3.838409 9.315153 
1 1 1   14   10   10 o  501.947   10.583 38716.21  1621.35 40355.75  1938.75 34901.95  2957.09  511.806   12.411  472.131   20.520 39.67532 23.98151 
1 1 1   14   10   11 o  452.850   8.4204 31434.68  1163.87 34103.77  1654.60 28820.63  1637.45  470.785   11.515  432.502   12.404 38.28296 16.92482 
1 1 1   14   10   12 o  187.355   3.8445  5361.91  219.849  5794.89  336.741  5040.25  290.243  194.666   5.6675  181.576   5.2370 13.09041 7.716653 
1 1 1   14   10   13 o  297.090   5.7604 13498.20  522.346 13522.72  549.761 13270.60  1675.02  297.327   6.0579  291.010   18.962 6.316742 19.90573 
1 1 1   14   10   14 o  148.112   3.2385  3350.10  146.402  3301.42  182.677  3437.49  244.779  147.003   4.0714  149.945   5.3484 -2.941132 6.721744 
1 1 1   14   10   15 o  117.919   3.4745  2123.69  125.054  2158.01  178.851  2090.86  174.920  118.821   4.9315  116.959   4.8999 1.862236 6.951913 
1 1 1   14   10   16 o  177.602   5.2338  4822.28  283.714  4880.25  589.907  4804.83  323.597  177.810   10.922  177.232   5.9820 0.5782776 12.45322 
1 1 1   14   10   17 o  293.725   11.146 13273.31  999.278 13303.85  1237.21 13216.01  1694.79  293.430   13.814  290.197   19.243 3.233490 23.68819 
1 1 1   14   10   18 o  221.198   11.897  7557.69  800.272  7557.69  800.272   0.0000   0.0000  221.198   11.897  ?   ?  0.000000 11.89701 
1 1 1   14   10   19 o  376.294   9.8476 21747.76  1131.04 21747.76  1131.04   0.0000   0.0000  376.294   9.8476  ?   ?  0.000000 9.847643 
1 1 1   14   10   20 o  168.095   3.4273  4315.53  175.841  4378.79  219.890  4203.32  292.859  169.287   4.2556  165.776   5.7879 3.510986 7.184022 
1 1 1   14   10   21 o   92.271   3.5655  1300.43  100.417  1260.72  157.880  1327.41  130.131   90.610   5.7383   93.198   4.5747 -2.588051 7.338604 
1 1 1   14   10   22 o  216.449   6.3726  7169.33  421.004   0.0000   0.0000  7169.33  421.004  ?   ?   216.449   6.3726 0.000000 6.372571 
1 1 1   14   10   23 o  335.509   14.786 17433.71  1514.12   0.0000   0.0000 17433.71  1514.12  ?   ?   335.509   14.786 0.000000 14.78558 
1 1 1   14   10   24 o   77.587   4.4325  922.905  104.531  929.922  109.812  855.180  341.161   77.865   4.6416   72.875   15.794 4.989891 16.46176 
1 1 1   14   10   25 o   55.498   5.9779  476.646   99.662  489.145  105.544  373.784  302.777   56.192   6.2602   50.334   16.799 5.857410 17.92790 
1 1 1   14   10   26 f  291.817   5.8770 13028.20  523.459 13013.14  550.429 13170.72  1693.05  291.610   6.1842  289.347   19.281 2.262909 20.24842 
1 1 1   14   10   27 o   88.702   5.1464  1207.13  138.734  1238.35  171.614  1148.25  235.694   89.729   6.3063   86.004   9.1177 3.724915 11.08609 
1 1 1   14   10   28 o   78.705   5.6101  952.385  133.886  957.817  164.790  941.836  229.647   78.778   6.9237   77.654   9.9154 1.124916 12.09352 
1 1 1   14   10   29 o  181.646   5.7733  5048.67  320.085  5076.23  355.724  4931.43  733.672  182.086   6.4006  177.968   13.610 4.118378 15.03964 
1 1 1   14   10   30 o  129.236   9.8247  2583.53  384.640  2782.05  714.874  2502.65  456.323  132.096   18.215  126.779   11.933 5.317436 21.77576 
1 1 1   14   10   31 o  147.915   4.4450  3344.63  200.680  3800.35  565.202  3278.89  214.667  156.416   11.929  146.434   4.8029 9.981949 12.85931 
1 1 1   14   10   32 o  181.123   3.9261  5013.41  217.046  5204.98  306.203  4819.96  307.700  184.434   5.4394  177.460   5.6808 6.973755 7.865039 
1 1 1   14   10   33 o  129.477   4.4289  2563.18  175.029  2970.26  223.886  1923.32  280.694  139.327   5.2647  111.597   8.3001 27.73007 9.828963 
1 1 1   14   10   34 o  167.920   5.1934  4314.81  266.177  5509.82  913.232  4203.87  278.259  186.941   16.164  165.720   5.5012 21.22137 17.07461 
1 1 1   14   10   35 o  102.266   3.7597  1598.46  117.355  1682.00  134.392  1330.22  240.827  104.885   4.1980   92.606   8.6191 12.27872 9.587106 
1 1 1   14   10   36 o  214.925   3.8393  7061.34  251.858  7371.37  454.670  6924.09  302.510  219.203   6.7957  212.742   4.6588 6.460403 8.239261 
1 1 1   14   10   37 f  111.779   4.0762  1910.68  139.068  2237.28  199.187  1600.06  194.251  120.864   5.3994  101.960   6.2723 18.90397 8.276212 
1 1 1   14   10   38 o  260.736   4.7845 10406.31  380.763 10559.58  433.605  9889.93  795.884  262.539   5.4111  252.802   10.315 9.737000 11.64777 
1 1 1   14   10   39 o  214.142   3.0794  7007.78  201.275  7180.49  324.169  6899.42  256.763  216.538   4.9048  212.385   3.9609 4.153168 6.304394 
1 1 1   14   10   40 o  155.610   5.8538  3715.32  278.032  3715.32  278.032   0.0000   0.0000  155.610   5.8538  ?   ?  0.000000 5.853837 
1 1 1   14   10   41 o  116.434   6.0863  2087.85  215.548  2087.85  215.548   0.0000   0.0000  116.434   6.0863  ?   ?  0.000000 6.086345 
1 1 1   14   10   42 o  155.000   4.0743  3678.18  192.752  3827.15  282.230  3547.96  263.880  157.839   5.8583  152.002   5.6878 5.837448 8.165179 
1 1 1   14   10   43 o   50.753   4.4513  397.755   68.259  376.562  108.385  411.686   87.876   48.836   7.5121   51.454   5.6906 -2.618717 9.424152 
1 1 1   14   10   44 o   84.247   4.1141  1087.42  105.791  1013.59  188.225  1121.51  127.905   80.580   7.7486   85.344   4.9312 -4.763992 9.184600 
1 1 1   14   10   45 o   15.137   6.6192 -12.4666   58.075   0.0000   0.0000 -12.4666   58.075  ?   ?    15.137   6.6192 0.000000 6.619168 
1 1 1   14   10   46 o   38.022   5.8662  227.762   65.889   0.0000   0.0000  227.762   65.889  ?   ?    38.022   5.8662 0.000000 5.866232 
1 1 1   14   11    0 o  170.874   5.4422  4473.97  283.183  4473.97  283.183  4473.97  283.183  170.874   5.4422  170.874   5.4422 0.000000 0.000000 
1 1 1   14   11    1 o  101.647   5.5937  1584.62  172.878  1640.01  244.889  1529.58  244.087  103.175   7.8349   99.587   8.1004 3.588531 11.26952 
1 1 1   14   11    2 o  311.835   5.3993 14866.77  513.904 14946.10  538.651 14062.44  1715.16  312.639   5.6448  299.734   18.844 12.90555 19.67105 
1 1 1   14   11    3 o  201.564   5.5821  6212.27  343.422  6212.27  343.422   0.0000   0.0000  201.564   5.5821  ?   ?  0.000000 5.582099 
1 1 1   14   11    4 o  330.205   11.970 16788.08  1206.42 17985.10  1496.68 14567.62  2038.45  341.110   14.375  303.636   22.148 37.47433 26.40429 
1 1 1   14   11    5 o  158.181   10.505  3861.37  504.292  4765.38  1020.48  3569.27  580.070  173.619   19.600  151.666   12.646 21.95270 23.32565 
1 1 1   14   11    6 o  202.126   11.123  6301.80  683.564  7423.54  1200.91  5764.17  831.390  217.577   18.252  192.619   14.242 24.95776 23.15120 
1 1 1   14   11    7 o   91.578   6.0742  1288.45  168.821  1244.35  205.398  1380.26  296.385   89.821   7.5624   94.206   10.486 -4.384705 12.92815 
1 1 1   14   11    8 o   52.660   6.8649  431.593  107.716  517.106  153.586  348.816  151.110   57.370   9.0728   46.712   10.812 10.65764 14.11458 
1 1 1   14   11    9 o  282.528   6.9318 12219.09  597.759 13487.16  1795.61 12061.04  633.917  292.850   20.212  280.635   7.4007 12.21451 21.52459 
1 1 1   14   11   10 o  137.430   8.1207  2904.52  339.123  2972.06  1042.71  2896.53  358.620  134.520   26.338  137.175   8.6089 -2.655197 27.70958 
1 1 1   14   11   11 o  467.595   8.2832 33515.49  1182.18 33785.70  1677.50 33248.90  1666.26  468.439   11.733  464.698   11.748 3.741577 16.60312 
1 1 1   14   11   12 o  244.822   5.9996  9168.58  448.323  9420.99  490.872  7899.08  1100.86  248.121   6.4817  225.066   16.132 23.05492 17.38574 
1 1 1   14   11   13 o  529.379   8.8561 42987.28  1430.96 43811.61  2027.68 42169.41  2019.71  533.100   12.462  522.932   12.654 10.16821 17.75990 
1 1 1   14   11   14 f   20.208   8.5137   5.9555   89.593   13.071  100.232 -22.3280  199.833   21.714   9.0673   28.798   12.438 -7.084440 15.39204 
1 1 1   14   11   15 o  123.465   3.0796  2327.81  116.052  2263.93  146.382  2435.89  190.412  121.735   3.9396  126.237   4.9419 -4.501457 6.320032 
1 1 1   14   11   16 o  354.381   5.8138 19208.90  628.849 18913.81  771.487 19793.12  1085.53  351.440   7.1922  358.966   9.9077 -7.525452 12.24291 
1 1 1   14   11   17 o  106.523   3.9391  1733.49  128.074  1733.49  128.074   0.0000   0.0000  106.523   3.9391  ?   ?  0.000000 3.939132 
1 1 1   14   11   18 o  100.210   5.0472  1539.01  153.881  1539.01  153.881   0.0000   0.0000  100.210   5.0472  ?   ?  0.000000 5.047212 
1 1 1   14   11   19 o   29.883   5.8428  141.312   51.382  200.095   88.157  111.069   63.233   35.422   8.2991   26.575   7.4796 8.847212 11.17225 
1 1 1   14   11   20 o  239.482   5.2066  8768.55  380.576  8632.19  541.007  8902.13  535.468  237.383   7.4668  241.089   7.2768 -3.705841 10.42614 
1 1 1   14   11   21 o   66.627   10.828  700.041  212.639   0.0000   0.0000  700.041  212.639  ?   ?    66.627   10.828 0.000000 10.82804 
1 1 1   14   11   22 o  173.656   13.996  4693.31  735.531   0.0000   0.0000  4693.31  735.531  ?   ?   173.656   13.996 0.000000 13.99573 
1 1 1   14   11   23 o  307.049   5.9713 14424.11  559.617 14444.54  588.393 14230.46  1811.62  307.227   6.2747  300.627   19.855 6.599609 20.82307 
1 1 1   14   11   24 o   55.265   4.0526  469.166   67.884  452.400  112.242  478.837   85.241   53.907   6.9861   55.735   5.0661 -1.828110 8.629643 
1 1 1   14   11   25 o  126.143   3.7720  2430.91  145.228  2437.65  214.274  2425.19  197.515  126.241   5.5610  125.938   5.1384 0.3021698 7.571500 
1 1 1   14   11   26 o  231.703   5.0276  8208.79  355.560  8669.95  508.930  7769.08  496.959  237.909   7.0086  225.183   7.2305 12.72589 10.06975 
1 1 1   14   11   27 o   63.617   4.2419  621.247   81.894  719.474  144.051  574.339   99.546   68.174   7.0233   61.040   5.3987 7.133442 8.858528 
1 1 1   14   11   28 o  274.005   6.5961 11498.14  551.647 11662.87  1528.42 11473.46  591.519  272.131   18.511  273.638   7.0823 -1.507324 19.81982 
1 1 1   14   11   29 o  224.123   10.184  7732.56  696.678  7297.08  898.765  8388.12  1102.73  216.565   13.667  231.564   15.695 -14.99840 20.81131 
1 1 1   14   11   30 o  106.643   5.5339  1744.92  179.509  1772.68  206.648  1659.59  362.356  107.402   6.3318  103.021   11.733 4.381538 13.33253 
1 1 1   14   11   31 o   66.128   4.1476  671.034   83.292  721.871  170.041  654.986   95.538   68.057   8.3618   65.265   4.8303 2.791962 9.656701 
1 1 1   14   11   32 o  155.967   4.4177  3719.39  210.302  4011.76  251.052  3031.61  385.056  161.932   5.0794  140.105   9.0528 21.82797 10.38046 
1 1 1   14   11   33 o  142.288   8.0931  3120.25  350.026  3548.94  836.994  3029.39  385.340  148.772   18.856  140.020   9.0651 8.751724 20.92157 
1 1 1   14   11   34 o  198.759   5.3130  6047.34  322.317  6373.11  389.764  5342.65  573.242  203.921   6.2621  185.804   10.146 18.11684 11.92323 
1 1 1   14   11   35 o  107.032   4.9459  1753.23  161.577  1784.01  199.212  1694.06  276.234  107.720   6.0839  104.544   8.7370 3.176025 10.64651 
1 1 1   14   11   36 o   67.109   3.9479  691.013   80.509  632.062  157.474  711.875   93.678   63.557   8.3171   68.061   4.5354 -4.503944 9.473297 
1 1 1   14   11   37 o  246.071   5.3427  9276.05  401.274  9171.33  415.951 10681.87  1524.05  244.638   5.5706  257.445   19.541 -12.80766 20.31955 
1 1 1   14   11   38 o  179.258   3.6733  4913.57  200.978  4648.98  337.156  5059.40  250.311  174.027   6.3474  181.809   4.5107 -7.781525 7.786945 
1 1 1   14   11   39 o   88.679   4.7823  1207.96  128.963  1337.32  466.516  1197.26  134.192   90.052   17.604   88.257   5.0021 1.794899 18.30068 
1 1 1   14   11   40 f  188.879   3.6597  5457.24  210.983  5625.22  266.553  5175.45  345.230  191.640   4.5570  183.544   6.1624 8.096588 7.664316 
1 1 1   14   11   41 o  192.273   4.2081  5661.19  246.958  5758.00  261.350  4854.04  754.607  193.876   4.4165  174.411   14.301 19.46478 14.96744 
1 1 1   14   11   42 o  137.413   3.4659  2889.04  145.368  2813.41  193.037  2988.11  220.938  135.462   4.6688  139.529   5.1879 -4.066818 6.979381 
1 1 1   14   11   43 o   38.203   4.3120  226.502   49.399  341.832  150.962  212.672   52.277   45.805   10.947   36.935   4.7471 8.870289 11.93199 
1 1 1   14   11   44 o  103.875   3.4859  1651.74  110.521   0.0000   0.0000  1651.74  110.521  ?   ?   103.875   3.4859 0.000000 3.485927 
1 1 1   14   11   45 o   77.349   4.8097  922.304  112.989   0.0000   0.0000  922.304  112.989  ?   ?    77.349   4.8097 0.000000 4.809719 
1 1 1   14   12    0 o  187.029   5.7084  5359.37  325.180  5359.37  325.180  5359.37  325.180  187.029   5.7084  187.029   5.7084 0.000000 0.000000 
1 1 1   14   12    1 o  173.183   6.3041  4588.89  333.230  4664.34  472.507  4514.23  470.018  174.153   8.9191  171.305   9.0211 2.847977 12.68585 
1 1 1   14   12    2 o  252.608   6.7481  9766.87  520.290  9690.50  563.577 10207.50  1353.74  251.551   7.3402  255.561   17.459 -4.009933 18.93970 
1 1 1   14   12    3 o  167.070   6.5024  4271.40  331.579  4273.10  394.853  4267.33  610.674  167.008   7.7461  166.000   12.137 1.008606 14.39809 
1 1 1   14   12    4 o   82.345   4.6713  1039.60  116.923  1054.59  147.430  1014.20  191.950   82.829   5.8696   80.982   7.8649 1.847260 9.813742 
1 1 1   14   12    5 o  152.044   3.8207  3531.33  177.309  3559.95  186.335  3257.24  576.712  152.652   3.9992  144.696   13.204 7.955917 13.79603 
1 1 1   14   12    6 f  190.028   6.1116  5524.28  354.476  5627.80  399.523  5141.34  768.439  191.742   6.8266  181.883   13.948 9.858887 15.52925 
1 1 1   14   12    7 o  324.966   7.4317 16174.33  737.123 16865.14  816.220 13119.30  1716.47  331.727   8.0614  288.989   19.575 42.73862 21.17015 
1 1 1   14   12    8 o   47.328   8.6875  354.252  120.870  414.212  140.883  187.029  235.273   51.161   9.3672   39.483   14.657 11.67799 17.39432 
1 1 1   14   12    9 o  231.429   5.8632  8192.31  414.162  8652.51  509.372  7294.58  711.438  237.724   7.0201  217.808   10.702 19.91606 12.79864 
1 1 1   14   12   10 o  153.203   4.1683  3586.08  194.915  4060.14  330.527  3333.32  241.346  162.871   6.6488  147.650   5.3554 15.22067 8.537403 
1 1 1   14   12   11 o   86.853   3.1039  1151.95   82.283  1179.82  126.162  1131.31  108.546   87.733   4.7288   86.050   4.1328 1.683014 6.280257 
1 1 1   14   12   12 o  246.144   6.2992  9270.71  473.248  9298.57  513.504  9113.63  1219.30  246.456   6.8263  241.610   16.635 4.846466 17.98155 
1 1 1   14   12   13 o   89.046   3.2843  1210.96   89.264  1245.24  131.226  1181.44  121.779   90.134   4.7871   87.807   4.5596 2.327927 6.611050 
1 1 1   14   12   14 o  207.240   5.0324  6565.54  318.321  6683.10  372.517  6247.35  612.829  209.025   5.8389  201.657   9.9565 7.368225 11.54233 
1 1 1   14   12   15 o  204.233   5.7961  6380.00  361.311  6282.44  391.831  6934.10  933.791  202.621   6.3357  211.172   14.577 -8.551041 15.89419 
1 1 1   14   12   16 o  244.734   5.0764  9156.57  379.199  8703.46  517.522  9681.84  557.211  238.403   7.1121  251.428   7.2609 -13.02496 10.16380 
1 1 1   14   12   17 o  105.490   5.1639  1701.34  166.267  1701.34  166.267   0.0000   0.0000  105.490   5.1639  ?   ?  0.000000 5.163909 
1 1 1   14   12   18 o  108.563   5.2263  1802.02  173.179  1802.02  173.179   0.0000   0.0000  108.563   5.2263  ?   ?  0.000000 5.226327 
1 1 1   14   12   19 o  366.687   7.2992 20595.42  816.932 20973.18  1157.20 20220.12  1153.44  369.374   10.264  362.642   10.421 6.732239 14.62690 
1 1 1   14   12   20 o  131.916   4.8736  2660.11  196.229  2709.54  213.765  2395.39  494.707  133.118   5.2612  123.838   13.296 9.279823 14.29934 
1 1 1   14   12   21 o  219.004   9.0730  7362.36  606.488  8169.64  1157.22  7056.66  712.122  228.548   16.705  213.854   10.947 14.69354 19.97195 
1 1 1   14   12   22 o   84.625   4.4737  1097.55  115.145  1226.83  647.946  1093.33  117.007   86.512   23.795   84.456   4.5559 2.056145 24.22718 
1 1 1   14   12   23 o   51.840   3.9839  413.017   62.554  496.684   93.731  345.827   83.996   56.723   5.4822   47.169   5.9678 9.554485 8.103645 
1 1 1   14   12   24 o  142.831   3.2593  3115.89  142.090  3294.09  190.645  2893.19  213.120  146.817   4.2543  137.554   5.0762 9.263672 6.623197 
1 1 1   14   12   25 o  136.378   5.1681  2844.33  215.127  2872.88  238.635  2720.50  497.057  137.030   5.7056  132.152   12.470 4.877518 13.71363 
1 1 1   14   12   26 o  248.775   6.8415  9480.53  519.485  9575.68  570.879  9022.32  1252.79  249.929   7.4836  239.725   17.237 10.20360 18.79119 
1 1 1   14   12   27 o   78.252   13.257  973.217  305.323  995.966  572.852  964.191  360.849   78.200   22.677   77.340   15.820 0.8600998 27.65009 
1 1 1   14   12   28 o  346.868   9.3480 18500.71  989.695 18500.71  989.695   0.0000   0.0000  346.868   9.3480  ?   ?  0.000000 9.348029 
1 1 1   14   12   29 o  127.704   4.9821  2494.41  194.191  2792.74  224.144  1596.59  388.844  135.096   5.4359  100.735   12.946 34.36146 14.04130 
1 1 1   14   12   30 o  449.745   7.1665 31018.77  983.764 31622.83  1207.26 29824.92  1697.20  453.576   8.7204  438.755   12.673 14.82169 15.38375 
1 1 1   14   12   31 o  231.610   4.8847  8205.99  345.310  8441.08  478.634  7950.80  498.666  234.662   6.6826  227.668   7.1761 6.993774 9.805789 
1 1 1   14   12   32 o  247.389   5.3045  9367.63  400.534  9863.74  579.633  8914.25  554.109  253.484   7.4918  240.967   7.5339 12.51691 10.62480 
1 1 1   14   12   33 o  136.541   5.3351  2854.21  222.342   0.0000   0.0000  2854.21  222.342  ?   ?   136.541   5.3351 0.000000 5.335089 
1 1 1   14   12   34 o  171.504   4.2632  4498.53  223.166  4743.16  327.581  4286.67  304.851  175.907   6.1012  167.243   5.9720 8.663498 8.537590 
1 1 1   14   12   35 o   94.391   4.3780  1363.02  126.130  1680.62  627.331  1349.64  128.759  100.461   21.129   93.920   4.4916 6.540573 21.60093 
1 1 1   14   12   36 o  135.450   3.8218  2805.51  158.000  2908.95  250.701  2737.36  203.503  137.727   5.9638  133.701   4.9868 4.026016 7.773962 
1 1 1   14   12   37 o   18.666   6.8172   43.190   50.560  263.449   97.937 -36.8401   59.035   40.636   8.1793   13.931   6.3372 26.70494 10.34704 
1 1 1   14   12   38 o  107.807   3.1988  1776.66  105.257  1808.20  145.738  1742.26  152.182  108.680   4.3935  106.658   4.6747 2.022255 6.415257 
1 1 1   14   12   39 o  155.498   4.2076  3701.79  199.700  3693.59  211.373  3769.93  609.373  155.296   4.4594  154.333   13.059 0.9631042 13.79918 
1 1 1   14   12   40 o   72.304   3.4018  799.641   75.074  857.411  114.426  755.979   99.478   74.599   5.0553   70.077   4.6777 4.521782 6.887510 
1 1 1   14   12   41 o  235.845   4.8673  8532.16  350.376  8376.21  507.573  8674.12  484.263  232.998   7.1372  237.263   6.6870 -4.265244 9.780416 
1 1 1   14   12   42 o   30.285   6.8535  147.064   61.874  188.154  137.824  136.692   69.244   35.002   11.316   29.199   7.6703 5.802387 13.67038 
1 1 1   14   12   43 o  128.642   5.0556  2542.05  198.506   0.0000   0.0000  2542.05  198.506  ?   ?   128.642   5.0556 0.000000 5.055599 
1 1 1   14   12   44 o  155.698   3.9967  3715.86  189.933   0.0000   0.0000  3715.86  189.933  ?   ?   155.698   3.9967 0.000000 3.996688 
1 1 1   14   13    0 o  149.946   5.0590  3446.18  230.938  3446.18  230.938  3446.18  230.938  149.946   5.0590  149.946   5.0590 0.000000 0.000000 
1 1 1   14   13    1 o   59.946   4.3210  551.935   78.531  515.955   88.111  690.930  173.178   57.878   5.0380   66.555   8.7360 -8.677322 10.08461 
1 1 1   14   13    2 o  252.616   5.8917  9761.45  454.272  9779.99  900.798  9755.12  526.065  251.997   11.712  252.434   6.8277 -0.4366608 13.55647 
1 1 1   14   13    3 o  209.787   8.3949  6748.18  537.538  6829.31  662.294  6591.57  920.172  210.796   10.294  205.831   14.744 4.964569 17.98216 
1 1 1   14   13    4 o   85.157   4.5095  1111.30  116.793  1111.30  116.793   0.0000   0.0000   85.157   4.5095  ?   ?  0.000000 4.509488 
1 1 1   14   13    5 o  114.966   4.4476  2019.76  156.068  1998.42  167.818  2156.32  424.573  114.344   4.8085  117.711   11.984 -3.366837 12.91312 
1 1 1   14   13    6 o  156.232   4.4443  3729.93  211.928  3650.55  243.240  3980.06  431.800  154.525   5.1573  160.833   8.8299 -6.307800 10.22570 
1 1 1   14   13    7 o   43.407   13.955  284.098  209.829  194.768  947.203  288.708  215.175   66.433   27.819   43.806   14.137 22.62706 31.20469 
1 1 1   14   13    8 o  320.755   11.732 15847.06  1148.59 16060.69  1432.14 15461.92  1922.95  322.108   14.567  313.413   20.209 8.694397 24.91222 
1 1 1   14   13    9 o  106.817   11.214  1774.86  360.158  1747.65  1029.66  1778.65  384.443  102.773   30.569  106.786   12.003 -4.012497 32.84104 
1 1 1   14   13   10 o  138.609   9.7959  2965.55  411.766  3257.54  720.476  2823.92  501.793  143.831   16.724  134.790   12.334 9.041183 20.77981 
1 1 1   14   13   11 o  153.452   6.7745  3604.80  317.297  3639.68  496.752  3580.77  412.386  153.478   10.671  152.512   8.8976 0.9657288 13.89343 
1 1 1   14   13   12 o  328.269   5.9414 16484.98  595.296 16989.09  849.014 15997.47  834.915  332.861   8.3567  322.980   8.4693 9.880951 11.89806 
1 1 1   14   13   13 o   35.610   9.6160  201.247  106.967  157.457  125.590  316.941  204.139   32.771   10.814   45.129   13.654 -12.35816 17.41764 
1 1 1   14   13   14 o   67.048   3.8584  689.031   78.627  516.518  142.091  765.169   94.396   57.449   8.3476   70.625   4.4009 -13.17589 9.436667 
1 1 1   14   13   15 o   77.812   7.0403  934.692  165.396  1152.45  403.607  890.743  181.320   84.790   16.186   75.823   7.9533 8.967339 18.03431 
1 1 1   14   13   16 o  391.112   25.230 24463.44  2995.79 24463.44  2995.79   0.0000   0.0000  391.112   25.230  ?   ?  0.000000 25.22992 
1 1 1   14   13   17 o  135.754   14.741  2887.20  600.993  2887.20  600.993   0.0000   0.0000  135.754   14.741  ?   ?  0.000000 14.74133 
1 1 1   14   13   18 o  243.485   6.3819  9073.69  474.284  9469.12  922.987  8931.81  552.860  247.787   12.204  241.441   7.5022 6.346329 14.32545 
1 1 1   14   13   19 o   92.363   3.4393  1303.02   96.960  1378.94  145.366  1242.18  130.137   94.836   5.0401   90.021   4.7532 4.814713 6.927836 
1 1 1   14   13   20 o  270.535   13.148 11310.97  1085.68 11141.26  1591.90 11458.55  1484.49  265.744   19.768  270.224   18.103 -4.480621 26.80457 
1 1 1   14   13   21 o   41.470   5.3732  267.404   66.413  428.980  182.498  242.740   71.302   51.735   11.816   39.363   6.1346 12.37213 13.31400 
1 1 1   14   13   22 f  162.798   3.4255  4048.32  170.214  4184.39  215.866  3824.64  276.766  165.470   4.2741  158.109   5.7351 7.361328 7.152584 
1 1 1   14   13   23 o   55.359   7.6046  478.500  125.099  478.500  125.099   0.0000   0.0000   55.359   7.6046  ?   ?  0.000000 7.604591 
1 1 1   14   13   24 o  240.911   6.8284  8890.73  502.101  8880.61  551.794  8939.46  1210.66  240.679   7.5114  238.796   16.716 1.883163 18.32585 
1 1 1   14   13   25 o  120.888   3.6859  2232.80  136.004  2525.78  205.052  2002.67  181.730  128.502   5.2280  114.425   5.2034 14.07697 7.376159 
1 1 1   14   13   26 o  254.275   7.0390  9909.56  546.300  9654.68  1391.73  9955.99  593.973  247.215   18.580  254.773   7.6383 -7.557541 20.08900 
1 1 1   14   13   27 o  127.517   6.1211  2489.94  238.239  2489.94  238.239   0.0000   0.0000  127.517   6.1211  ?   ?  0.000000 6.121067 
1 1 1   14   13   28 o  117.728   4.3489  2118.95  156.271  2118.95  156.271   0.0000   0.0000  117.728   4.3489  ?   ?  0.000000 4.348899 
1 1 1   14   13   29 o  171.184   5.9381  4487.67  310.263  4487.67  310.263   0.0000   0.0000  171.184   5.9381  ?   ?  0.000000 5.938119 
1 1 1   14   13   30 o  101.192   4.0554  1565.37  125.255  1574.99  140.634  1528.48  275.466  101.480   4.5404   99.230   9.1997 2.250290 10.25914 
1 1 1   14   13   31 o   83.972   3.9911  1077.97  102.293  1025.17  206.170  1095.22  117.818   81.217   8.4401   84.494   4.5857 -3.276093 9.605393 
1 1 1   14   13   32 o  158.163   5.4933  3831.01  265.191   0.0000   0.0000  3831.01  265.191  ?   ?   158.163   5.4933 0.000000 5.493339 
1 1 1   14   13   33 o   63.113   4.7190  612.944   90.246  569.844  552.057  614.128   91.477   63.012   22.594   63.168   4.7800 -0.1563492 23.09445 
1 1 1   14   13   34 o  195.852   4.0654  5866.64  243.023  6501.92  373.452  5400.02  320.064  205.929   5.9416  187.720   5.5861 18.20853 8.155173 
1 1 1   14   13   35 o   97.086   3.7883  1441.42  112.259  1327.52  207.303  1488.67  133.532   92.618   7.3948   98.628   4.4358 -6.009361 8.623209 
1 1 1   14   13   36 o   63.666   2.9660  619.436   57.636  624.988  144.639  618.388   62.841   63.262   7.6458   63.521   3.2521 -0.2586403 8.308747 
1 1 1   14   13   37 o   20.295   7.1341   55.754   54.781   21.449  148.005   61.200   58.968   26.280   11.000   21.166   7.4039 5.113825 13.25959 
1 1 1   14   13   38 o   17.877   8.1758 -67.1054   99.941 -125.6983  138.054  -2.5844  144.869   19.938   9.2896   24.951   10.680 -5.012920 14.15506 
1 1 1   14   13   39 o  146.309   5.4732  3286.70  244.415  3253.14  268.637  3448.03  588.992  145.462   6.0506  147.178   13.254 -1.716232 14.56937 
1 1 1   14   13   40 o  107.965   3.0240  1782.51   99.650  1852.92  210.479  1762.17  113.132  109.525   6.3231  107.314   3.4539 2.211411 7.204928 
1 1 1   14   13   41 o  133.343   3.6039  2721.99  146.678  2996.42  235.930  2549.08  187.268  139.607   5.5368  128.889   4.7603 10.71858 7.301790 
1 1 1   14   13   42 o  191.311   5.9638  5637.36  348.239   0.0000   0.0000  5637.36  348.239  ?   ?   191.311   5.9638 0.000000 5.963769 
1 1 1   14   13   43 o  121.955   4.8080  2284.51  178.969   0.0000   0.0000  2284.51  178.969  ?   ?   121.955   4.8080 0.000000 4.807954 
1 1 1   14   14    0 o   93.609   8.2219  1371.19  230.744  1371.19  230.744  1371.19  230.744   93.609   8.2219   93.609   8.2219 0.000000 0.000000 
1 1 1   14   14    1 o  116.109   4.2729  2059.97  151.429  1864.60  441.010  2086.08  161.232  109.049   13.541  116.834   4.5213 -7.785133 14.27622 
1 1 1   14   14    2 o  349.716   7.8144 18742.67  834.115 19252.37  1646.20 18566.61  967.508  352.364   15.306  347.809   9.1137 4.554993 17.81422 
1 1 1   14   14    3 o  197.456   6.5640  5967.74  395.600  5967.74  395.600   0.0000   0.0000  197.456   6.5640  ?   ?  0.000000 6.563984 
1 1 1   14   14    4 f  316.474   8.9670 15369.19  866.166 15369.19  866.166   0.0000   0.0000  316.474   8.9670  ?   ?  0.000000 8.966990 
1 1 1   14   14    5 o  144.754   3.7765  3200.90  166.853  3163.23  240.216  3236.01  231.934  143.822   5.4722  145.481   5.2233 -1.658417 7.564859 
1 1 1   14   14    6 o  343.494   5.8272 18048.33  610.933 18273.35  668.242 16902.67  1507.84  345.556   6.3358  330.275   14.958 15.28052 16.24409 
1 1 1   14   14    7 o  152.385   5.4463  3551.03  253.313  3421.57  284.958  4038.74  553.082  149.533   6.2435  161.588   11.285 -12.05486 12.89689 
1 1 1   14   14    8 o   37.586   3.4486  217.589   39.121 -77.8116  237.579  225.822   39.663   29.796   13.194   38.299   3.4293 -8.502800 13.63276 
1 1 1   14   14    9 f  211.287   6.6193  6833.52  426.875  6703.73  472.046  7415.99  999.982  209.193   7.3930  218.230   15.106 -9.037094 16.81782 
1 1 1   14   14   10 o  434.318   11.597 29055.73  1537.29 28629.17  1693.71 31050.37  3662.51  430.652   12.885  439.005   27.472 -8.353424 30.34336 
1 1 1   14   14   11 f  162.247   5.5334  4025.93  274.022  4048.92  306.377  3934.01  612.645  162.668   6.1707  159.171   12.717 3.496490 14.13462 
1 1 1   14   14   12 o  223.310   15.491  7773.25  1049.35   0.0000   0.0000  7773.25  1049.35  ?   ?   223.310   15.491 0.000000 15.49142 
1 1 1   14   14   13 f  169.823   4.8958  4408.75  253.768  4474.60  302.390  4251.90  466.646  171.030   5.7927  166.165   9.2374 4.864853 10.90341 
1 1 1   14   14   14 o  139.568   3.6458  2975.56  155.307  3320.73  227.125  2672.42  212.845  147.377   5.0491  132.200   5.2749 15.17769 7.301962 
1 1 1   14   14   16 o   88.202   7.8403  1201.85  208.870  1622.71  361.833  991.530  255.791  101.932   11.851   79.556   10.814 22.37543 16.04372 
1 1 1   14   14   17 o  110.965   8.4799  1899.97  285.034  1916.95  408.445  1883.85  397.957  110.804   12.284  109.877   12.065 0.9272537 17.21769 
1 1 1   14   14   18 o  158.587   3.9192  3842.56  189.704  4296.56  279.786  3456.24  258.089  167.602   5.4693  150.312   5.6255 17.29024 7.845943 
1 1 1   14   14   19 f   79.170   6.4991  966.045  155.662  1030.70  184.676  807.397  289.292   81.667   7.4923   71.042   13.839 10.62442 15.73699 
1 1 1   14   14   20 o  371.408   7.1544 21136.09  811.039 22612.18  1155.89 19704.66  1138.28  383.467   9.8758  357.811   10.423 25.65549 14.35835 
1 1 1   14   14   21 o  128.393   3.2343  2517.87  126.747  2522.38  168.782  2512.04  191.935  128.466   4.3045  128.174   4.9061 0.2920990 6.526737 
1 1 1   14   14   22 o  307.796   7.1756 14519.45  674.119 14996.69  804.001 13389.79  1236.98  312.563   8.4276  293.913   13.789 18.65012 16.16033 
1 1 1   14   14   23 o  236.977   4.7835  8587.00  345.994  8976.80  520.154  8277.66  463.372  242.022   7.0414  232.474   6.5304 9.547531 9.603508 
1 1 1   14   14   24 o  296.244   7.2427 13454.95  654.891 15148.54  1774.76 13188.00  704.617  309.738   18.863  293.168   7.8744 16.56931 20.44035 
1 1 1   14   14   25 o   84.289   6.0748  1093.47  155.239  1117.47  201.085  1058.06  244.233   84.978   7.8412   82.319   9.9203 2.659027 12.64507 
1 1 1   14   14   26 o   72.659   4.6776  810.690  103.184  830.812  118.481  747.505  209.951   73.494   5.3176   68.907   10.298 4.587715 11.59029 
1 1 1   14   14   27 o  133.243   4.6232  2715.16  188.021  2879.85  208.663  2004.12  433.567  137.202   4.9827  112.999   12.796 24.20316 13.73233 
1 1 1   14   14   28 o   81.063   6.3008  1012.97  154.671  1012.97  154.671   0.0000   0.0000   81.063   6.3008  ?   ?  0.000000 6.300771 
1 1 1   14   14   29 o  193.206   3.6232  5704.90  213.664  6109.01  269.305  5018.39  351.008  199.863   4.4146  180.941   6.3557 18.92191 7.738473 
1 1 1   14   14   31 o   79.421   9.2894  985.534  220.931   0.0000   0.0000  985.534  220.931  ?   ?    79.421   9.2894 0.000000 9.289427 
1 1 1   14   14   32 o  204.172   10.598  6470.94  658.204   0.0000   0.0000  6470.94  658.204  ?   ?   204.172   10.598 0.000000 10.59846 
1 1 1   14   14   33 o   89.063   3.2874  1212.38   89.365  1202.58  132.141  1220.63  121.314   88.486   4.9120   89.310   4.4503 -0.8240814 6.628186 
1 1 1   14   14   34 o   44.244   4.3262  302.421   57.675  334.994  102.789  287.453   69.677   46.066   7.5739   42.968   5.4343 3.097763 9.321785 
1 1 1   14   14   35 o  125.214   2.9221  2396.05  111.678  2595.37  211.043  2318.53  131.616  130.111   5.3142  123.135   3.5020 6.976028 6.364336 
1 1 1   14   14   36 o   58.449   4.1414  525.554   73.405  377.308  169.201  559.924   81.471   48.210   11.632   60.303   4.4580 -12.09305 12.45738 
1 1 1   14   14   37 o   97.227   3.0286  1445.22   89.875  1470.98  129.193  1421.07  125.111   98.000   4.3191   96.328   4.2552 1.672005 6.063170 
1 1 1   14   14   38 o   95.030   3.9811  1382.81  115.474  1424.34  125.283  1148.29  297.698   96.424   4.2569   84.755   11.830 11.66809 12.57288 
1 1 1   14   14   39 o   47.321   12.718  366.599  187.641  395.137  641.832  363.932  196.214   58.665   23.531   47.181   13.139 11.48325 26.95039 
1 1 1   14   14   40 o  142.351   3.2431  3100.58  140.910  2797.42  260.767  3225.61  167.465  134.716   6.3419  145.124   3.7806 -10.40834 7.383261 
1 1 1   14   14   41 o  205.006   5.8755  6473.30  367.642   0.0000   0.0000  6473.30  367.642  ?   ?   205.006   5.8755 0.000000 5.875471 
1 1 1   14   14   42 f   91.328   4.4051  1280.01  122.795   0.0000   0.0000  1280.01  122.795  ?   ?    91.328   4.4051 0.000000 4.405118 
1 1 1   14   15    0 o  263.535   12.581 10733.54  1006.68 10733.54  1006.68 10733.54  1006.68  263.535   12.581  263.535   12.581 0.000000 0.000000 
1 1 1   14   15    1 o  147.488   4.8260  3325.14  217.249  3154.17  249.637  3858.76  441.029  143.600   5.6956  158.285   9.1680 -14.68471 10.79313 
1 1 1   14   15    2 o  189.199   6.3398  5478.33  366.107  5333.02  393.972  6397.86  991.097  186.623   6.9165  202.283   16.188 -15.66048 17.60366 
1 1 1   14   15    3 f  397.277   8.9887 24223.39  1089.95 23696.16  1180.01 27287.25  2844.57  392.709   9.8446  414.953   22.544 -22.24356 24.59993 
1 1 1   14   15    4 o  106.710   4.9796  1740.82  162.186  1528.51  187.902  2361.13  321.183   99.752   6.2022  123.775   8.5541 -24.02306 10.56600 
1 1 1   14   15    5 o  295.944   7.5633 13420.10  683.183 13391.81  740.141 13582.98  1775.92  295.527   8.2054  293.625   19.934 1.901276 21.55667 
1 1 1   14   15    6 o  243.391   11.533  9125.80  856.778  9370.10  1210.02  8880.16  1213.32  244.989   16.275  238.298   16.789 6.691025 23.38221 
1 1 1   14   15    7 o  233.803   5.8978  8362.91  420.879  8650.92  506.854  7723.29  755.342  237.676   6.9868  223.992   11.048 13.68419 13.07210 
1 1 1   14   15    8 f  204.217   5.3590  6377.65  334.033  6981.20  934.590  6289.25  357.658  211.812   14.544  202.763   5.7791 9.048660 15.65040 
1 1 1   14   15    9 o  180.278   7.8847  4982.01  433.858  5206.12  802.964  4889.60  515.603  182.775   14.513  178.169   9.5157 4.605499 17.35422 
1 1 1   14   15   10 o  118.163   4.1793  2133.51  150.730  2096.57  523.484  2136.85  157.396  115.295   15.250  118.249   4.3610 -2.953407 15.86117 
1 1 1   14   15   11 o  251.449   17.017  9894.58  1298.32   0.0000   0.0000  9894.58  1298.32  ?   ?   251.449   17.017 0.000000 17.01686 
1 1 1   14   15   12 o  128.941   11.753  2583.56  457.459   0.0000   0.0000  2583.56  457.459  ?   ?   128.941   11.753 0.000000 11.75283 
1 1 1   14   15   13 o   61.800   23.557  443.766  616.672  443.766  616.672   0.0000   0.0000   61.800   23.557  ?   ?  0.000000 23.55679 
1 1 1   14   15   14 o  170.090   10.216  4465.45  527.905  4802.38  907.315  4293.02  649.083  174.658   17.245  166.203   12.896 8.454605 21.53364 
1 1 1   14   15   15 o  109.096   5.3067  1820.27  176.705  1820.27  176.705   0.0000   0.0000  109.096   5.3067  ?   ?  0.000000 5.306697 
1 1 1   14   15   16 o  164.862   4.1432  4153.42  208.483  4181.98  220.834  3919.34  632.259  165.415   4.3739  158.666   13.175 6.749557 13.88181 
1 1 1   14   15   17 o   14.604   6.0553   7.6652   44.250   30.451  172.854   6.0672   45.776   28.764   11.951   14.700   6.1322 14.06401 13.43198 
1 1 1   14   15   18 o  111.611   4.4538  1904.11  151.724  2352.47  214.667  1456.57  214.473  123.995   5.6721   97.218   7.2807 26.77729 9.229398 
1 1 1   14   15   19 o  148.812   4.1389  3384.36  187.994  3473.38  297.151  3324.95  242.751  150.603   6.4644  147.427   5.3947 3.175964 8.419658 
1 1 1   14   15   20 o  216.270   4.7712  7151.83  314.950  7470.05  452.620  6853.12  438.528  220.820   6.7155  211.496   6.7933 9.324295 9.552281 
1 1 1   14   15   21 o  107.943   4.8149  1781.77  158.633  1760.74  187.063  1835.62  299.330  107.105   5.7431  108.910   9.0876 -1.804672 10.75023 
1 1 1   14   15   22 o  110.708   3.4410  1872.44  116.275  2205.68  192.597  1681.31  145.855  120.071   5.2552  104.864   4.5570 15.20740 6.955856 
1 1 1   14   15   23 o  261.717   10.265 10555.84  820.014 10142.10  1475.72 10740.66  986.300  252.799   19.271  263.451   12.266 -10.65190 22.84303 
1 1 1   14   15   24 o  202.846   5.3759  6296.95  332.841  6484.40  396.601  5850.45  612.101  205.734   6.3158  194.524   10.347 11.20961 12.12193 
1 1 1   14   15   25 o  195.205   4.3782  5826.48  260.858  6603.92  415.647  5321.27  335.062  207.573   6.5605  186.405   5.8891 21.16711 8.815993 
1 1 1   14   15   26 o  233.756   5.9669  8370.10  425.725  8580.98  463.935  7245.72  1071.25  236.612   6.4240  214.272   16.507 22.33969 17.71282 
1 1 1   14   15   27 o  104.192   5.1653  1661.60  164.267  1653.19  182.760  1696.95  374.748  103.729   5.7957  103.965   12.032 -0.2361603 13.35511 
1 1 1   14   15   28 o  185.516   8.5045  5296.22  481.557  5116.32  931.781  5361.78  562.503  179.305   17.238  186.124   9.9376 -6.818436 19.89741 
1 1 1   14   15   29 o  124.542   4.9592  2374.21  188.512  2813.18  663.296  2335.64  196.620  132.575   16.767  123.506   5.2158 9.068581 17.55927 
1 1 1   14   15   30 o  221.763   6.9488  7552.15  470.344   0.0000   0.0000  7552.15  470.344  ?   ?   221.763   6.9488 0.000000 6.948786 
1 1 1   14   15   31 o  134.919   5.1160  2788.04  210.680  2495.97  880.109  2805.79  216.988  121.124   24.645  135.335   5.2530 -14.21038 25.19828 
1 1 1   14   15   32 o  162.281   3.9012  4028.09  193.234  4105.10  215.367  3710.11  437.620  163.785   4.3081  154.660   9.3139 9.124435 10.26202 
1 1 1   14   15   33 o   31.710   10.225  152.008  112.580  125.809  164.742  174.964  154.205   32.603   12.232   34.911   11.986 -2.307838 17.12616 
1 1 1   14   15   34 o  210.539   5.4766  6799.82  351.934  6515.35  805.601  6866.92  391.243  203.267   13.054  211.452   6.0620 -8.185562 14.39276 
1 1 1   14   15   35 o   73.272   3.6589  821.395   81.828  848.923  143.842  808.225   99.495   74.023   6.4305   72.495   4.5190 1.527573 7.859542 
1 1 1   14   15   36 o  139.282   3.9717  2970.16  168.844  2683.32  279.760  3134.50  211.759  131.763   6.9811  142.970   4.8527 -11.20644 8.502048 
1 1 1   14   15   37 o  158.483   3.9733  3846.61  192.201  3909.55  204.283  3361.23  567.297  159.743   4.1898  145.213   12.935 14.53026 13.59645 
1 1 1   14   15   38 o   28.699   5.5981  130.939   47.275  250.475  397.005  129.219   47.614   47.376   18.667   28.495   5.6740 18.88170 19.50999 
1 1 1   14   15   39 f   53.136   3.1924  433.580   51.535  292.455  131.262  459.298   56.035   42.378   10.258   54.676   3.3742 -12.29746 10.79879 
1 1 1   14   15   40 o  175.546   5.1591  4737.81  276.427   0.0000   0.0000  4737.81  276.427  ?   ?   175.546   5.1591 0.000000 5.159092 
1 1 1   14   16    0 o   82.279   5.4979  1048.13  136.656  1048.13  136.656  1048.13  136.656   82.279   5.4979   82.279   5.4979 0.000000 0.000000 
1 1 1   14   16    1 o  286.076   6.2828 12525.94  548.596 12438.48  741.967 12631.41  814.801  284.726   8.5377  286.781   9.3086 -2.055145 12.63100 
1 1 1   14   16    2 o  437.461   11.098 29470.85  1481.79 33669.76  2722.95 27704.25  1766.20  463.416   19.251  423.161   13.675 40.25513 23.61350 
1 1 1   14   16    3 o  303.939   7.6525 14159.05  709.916 16331.63  1406.11 13415.79  822.434  324.726   14.187  295.587   9.1159 29.13852 16.86310 
1 1 1   14   16    4 o  363.322   8.6221 20256.14  956.146 23636.49  1888.83 19091.47  1108.69  389.927   15.871  352.308   10.310 37.61877 18.92554 
1 1 1   14   16    5 o  351.076   9.8776 18946.53  1058.45   0.0000   0.0000 18946.53  1058.45  ?   ?   351.076   9.8776 0.000000 9.877611 
1 1 1   14   16    6 o  219.098   10.871  7390.64  726.993   0.0000   0.0000  7390.64  726.993  ?   ?   219.098   10.871 0.000000 10.87113 
1 1 1   14   16    7 o  148.235   5.2730  3360.43  238.576  3277.90  260.743  3784.84  591.291  146.369   5.8364  156.081   12.517 -9.712433 13.81086 
1 1 1   14   16    8 f  412.946   10.979 26261.36  1383.74 25764.14  1522.88 28615.40  3313.59  408.581   12.212  421.801   25.863 -13.22064 28.60077 
1 1 1   14   16    9 o  184.421   4.2248  5197.54  237.813  5129.18  262.488  5510.72  561.824  183.175   4.6949  189.091   9.7678 -5.916183 10.83757 
1 1 1   14   16   10 o  144.425   3.1732  3185.73  139.881  3171.04  184.031  3205.83  215.262  144.050   4.1856  144.804   4.8705 -0.7535706 6.421896 
1 1 1   14   16   11 o   36.910   10.413  215.216  122.410  185.964  320.627  220.207  132.442   43.320   16.861   37.459   10.916 5.860615 20.08584 
1 1 1   14   16   12 o  229.166   6.1080  8038.27  427.235  9298.28  879.867  7649.53  488.716  245.505   11.742  223.432   7.1663 22.07214 13.75605 
1 1 1   14   16   13 o  143.495   10.577  3187.24  459.966  3366.08  982.059  3136.98  520.598  143.889   23.146  142.040   12.124 1.849167 26.12910 
1 1 1   14   16   14 o  239.261   16.355  8964.93  1187.24   0.0000   0.0000  8964.93  1187.24  ?   ?   239.261   16.355 0.000000 16.35539 
1 1 1   14   16   15 o  172.089   5.4323  4530.58  285.336  4859.94  329.760  3549.20  569.212  178.181   6.0634  151.040   12.458 27.14178 13.85548 
1 1 1   14   16   16 o   91.290   6.3422  1282.26  175.622  1398.98  231.418  1123.76  269.684   95.150   8.0437   84.758   10.660 10.39251 13.35464 
1 1 1   14   16   17 o  246.526   6.0572  9304.33  455.779  9841.97  556.696  8211.24  793.775  253.383   7.1982  230.697   11.273 22.68672 13.37512 
1 1 1   14   16   18 o   58.679   9.2646  542.104  160.423  596.622  210.566  466.681  247.668   61.165   11.705   53.906   14.664 7.258495 18.76271 
1 1 1   14   16   19 o  215.872   3.8637  7121.48  254.576  7927.33  388.238  6513.63  337.186  227.591   5.5889  206.326   5.3543 21.26508 7.739757 
1 1 1   14   16   20 o  128.001   3.8339  2503.85  149.787  2725.59  186.299  2098.43  251.906  133.510   4.5717  116.773   7.1014 16.73644 8.445756 
1 1 1   14   16   21 o   24.884   6.6470   98.186   51.441   72.230  123.620  103.622   56.571   27.083   10.489   25.600   7.0267 1.483116 12.62545 
1 1 1   14   16   22 o  101.630   6.0285  1587.50  186.167  1615.59  207.000  1468.63  425.802  102.450   6.6558   95.949   15.033 6.500740 16.44081 
1 1 1   14   16   23 o  163.789   4.1049  4101.22  205.211  4177.95  216.188  3402.66  652.301  165.301   4.2849  146.988   14.738 18.31331 15.34829 
1 1 1   14   16   24 o  298.687   4.5373 13645.31  413.649 14547.81  529.280 12229.01  663.040  308.223   5.6261  282.174   7.6985 26.04855 9.535164 
1 1 1   14   16   25 o   81.652   5.3687  1025.15  133.054  1152.66  151.249  588.780  279.802   86.556   5.7579   60.185   15.221 26.37122 16.27406 
1 1 1   14   16   26 o  104.868   10.435  1716.01  329.574  1672.32  641.335  1731.69  384.182  100.232   21.600  104.929   12.225 -4.696838 24.81964 
1 1 1   14   16   27 o  163.627   4.9056  4098.24  244.999  4874.81  836.647  4025.40  256.231  175.378   15.799  162.139   5.1776 13.23848 16.62609 
1 1 1   14   16   28 o   83.732   5.7861  1079.74  146.970  915.733  180.350  1403.97  253.578   76.769   7.8054   95.030   8.8440 -18.26075 11.79583 
1 1 1   14   16   29 o  219.508   6.2855  7393.90  421.122  7262.58  511.055  7671.70  743.306  217.250   7.7071  222.356   10.952 -5.105621 13.39219 
1 1 1   14   16   30 o   76.032   4.8233  888.798  111.353  537.609  859.007  894.800  112.300   68.633   27.325   76.286   4.8482 -7.653320 27.75223 
1 1 1   14   16   31 o  140.816   4.0862  3034.22  175.627  3145.50  276.500  2958.96  227.389  143.109   6.3301  138.925   5.3626 4.183548 8.296237 
1 1 1   14   16   32 o  171.455   4.3332  4500.79  226.764  4513.70  239.171  4385.95  713.311  171.670   4.5645  166.121   14.205 5.549438 14.92014 
1 1 1   14   16   33 o   65.581   4.9710  663.128   98.765  630.976  114.334  757.656  196.041   63.820   5.9376   69.262   9.5254 -5.441341 11.22449 
1 1 1   14   16   34 o  221.393   5.8932  7532.83  398.227  7657.56  433.656  6861.69  1005.93  223.087   6.3687  206.160   16.114 16.92749 17.32728 
1 1 1   14   16   35 o   97.817   3.8310  1464.92  114.378  1415.99  206.192  1486.67  137.467   95.538   7.1221   98.473   4.5737 -2.935272 8.464228 
1 1 1   14   16   36 o   25.510   5.4773  103.814   41.373   37.471   95.967  118.960   45.853   22.564   9.0817   27.316   5.6847 -4.751535 10.71418 
1 1 1   14   16   37 o   71.988   6.8068  807.068  147.786  807.068  147.786   0.0000   0.0000   71.988   6.8068  ?   ?  0.000000 6.806807 
1 1 1   14   16   38 o  203.810   4.7163  6377.78  293.390  6454.33  424.202  6307.58  406.215  204.364   6.8006  202.106   6.5850 2.258087 9.466345 
1 1 1   14   16   39 o   47.828   5.7050  357.263   81.640   0.0000   0.0000  357.263   81.640  ?   ?    47.828   5.7050 0.000000 5.705002 
1 1 1   14   17    0 o  135.462   13.289  2899.99  537.323  2899.99  537.323  2899.99  537.323  135.462   13.289  135.462   13.289 0.000000 0.000000 
1 1 1   14   17    1 o  316.719   8.3505 15393.17  807.245 15629.87  1951.80 15344.32  886.631  314.259   20.460  316.033   9.1917 -1.774170 22.42976 
1 1 1   14   17    2 o  198.609   5.8393  6036.12  353.976  7075.36  969.852  5876.40  380.204  212.921   15.020  195.915   6.3582 17.00584 16.31016 
1 1 1   14   17    3 o   67.828   4.6471  706.606   95.627   0.0000   0.0000  706.606   95.627  ?   ?    67.828   4.6471 0.000000 4.647065 
1 1 1   14   17    4 o  303.352   8.2485 14119.92  763.724   0.0000   0.0000 14119.92  763.724  ?   ?   303.352   8.2485 0.000000 8.248455 
1 1 1   14   17    5 o  150.217   8.9285  3477.70  407.526   0.0000   0.0000  3477.70  407.526  ?   ?   150.217   8.9285 0.000000 8.928511 
1 1 1   14   17    6 o  167.552   7.7276  4305.02  395.198  4739.35  734.384  4127.97  468.878  174.337   13.917  163.613   9.4290 10.72429 16.81052 
1 1 1   14   17    7 o   30.177   11.365  102.939  142.453   46.455  378.261  112.274  153.775   41.684   17.524   31.404   11.811 10.27935 21.13282 
1 1 1   14   17    8 o  136.711   4.8641  2857.84  202.966  2918.25  222.159  2552.86  499.174  138.125   5.2696  127.827   12.974 10.29877 14.00332 
1 1 1   14   17    9 o  221.495   4.6299  7500.40  313.008  7605.45  330.308  6575.59  980.040  223.021   4.8524  204.896   15.793 18.12514 16.52133 
1 1 1   14   17   10 o  156.578   4.6305  3748.24  221.295  3939.95  263.813  3293.06  406.504  160.481   5.3859  146.100   9.1622 14.38141 10.62799 
1 1 1   14   17   11 o  334.643   11.770 17291.67  1202.15 18965.66  2114.81 16492.53  1461.19  346.100   20.106  325.760   14.696 20.34064 24.90429 
1 1 1   14   17   12 o  121.149   9.1200  2268.45  334.759  2666.81  589.380  2078.73  406.736  130.089   15.126  115.457   11.704 14.63210 19.12500 
1 1 1   14   17   13 o  405.561   8.5695 25263.43  1060.79 26010.51  1152.07 21101.68  2719.17  411.321   9.1766  361.501   24.794 49.81989 26.43752 
1 1 1   14   17   14 o  281.963   6.0614 12173.02  521.655 12769.72  611.583 10579.68  999.380  288.644   6.9419  261.466   12.523 27.17767 14.31807 
1 1 1   14   17   15 o   33.577   10.628  171.126  122.065  157.031  209.272  178.393  150.277   36.730   13.786   35.128   11.835 1.601925 18.16884 
1 1 1   14   17   16 o  234.998   6.1252  8457.38  439.342  8862.73  494.118  6927.16  960.044  240.476   6.7320  210.330   15.054 30.14621 16.49074 
1 1 1   14   17   17 o  215.317   6.0380  7100.02  396.813  7401.80  448.320  6008.39  852.664  219.759   6.6838  196.000   14.353 23.75932 15.83274 
1 1 1   14   17   18 o  116.065   10.858  2097.22  380.196   0.0000   0.0000  2097.22  380.196  ?   ?   116.065   10.858 0.000000 10.85837 
1 1 1   14   17   19 o  220.558   5.3051  7445.13  357.133  7788.53  429.287  6673.25  643.609  225.464   6.2381  208.028   10.136 17.43639 11.90211 
1 1 1   14   17   20 o  122.007   4.8018  2277.23  178.817  3397.23  647.377  2184.72  186.055  146.882   14.635  119.485   5.1017 27.39745 15.49870 
1 1 1   14   17   21 o  111.569   4.1267  1903.17  140.529  2462.96  220.533  1520.47  182.344  126.815   5.6975   99.437   6.0365 27.37773 8.300659 
1 1 1   14   17   22 o  179.203   2.7971  4905.23  152.995  5606.06  207.714  4074.10  226.202  191.525   3.5532  163.199   4.5411 28.32628 5.766017 
1 1 1   14   17   23 o  380.185   6.5883 22171.06  764.515 22599.60  804.619 18190.67  2452.19  383.757   6.8694  333.197   24.279 50.55975 25.23224 
1 1 1   14   17   24 o  290.740   7.1642 12981.59  635.758 13408.16  700.492 10988.37  1514.21  295.315   7.7714  261.941   19.070 33.37363 20.59299 
1 1 1   14   17   25 o   82.694   11.609  1081.24  284.930  485.937  586.969  1264.76  325.903   61.261   23.069   89.390   12.269 -28.12844 26.12866 
1 1 1   14   17   26 o  214.392   5.7776  7046.40  378.067  7319.05  417.730  5811.70  888.940  218.413   6.2661  191.558   15.332 26.85538 16.56342 
1 1 1   14   17   27 o  156.278   3.4966  3733.76  166.789  3874.21  216.420  3528.34  261.740  159.103   4.4566  151.704   5.6527 7.399323 7.198196 
1 1 1   14   17   28 o  136.963   5.9794  2878.43  249.965  2889.37  287.952  2844.98  503.527  136.927   6.9122  134.433   12.412 2.494583 14.20670 
1 1 1   14   17   29 o  170.427   11.448  4546.35  592.049  4127.47  1071.14  4730.61  710.434  156.546   23.113  173.003   13.563 -16.45660 26.79810 
1 1 1   14   17   30 o   42.707   5.2203  283.786   66.631  240.480  132.788  298.359   77.030   38.738   10.816   43.689   5.9298 -4.951580 12.33525 
1 1 1   14   17   31 o  214.057   4.0449  7014.34  264.272  7063.41  331.094  6928.20  438.684  214.619   5.0544  212.150   6.7747 2.469589 8.452435 
1 1 1   14   17   32 o  105.706   3.4037  1709.26  109.816  1689.86  152.486  1730.17  158.283  104.986   4.7586  106.218   4.8822 -1.231796 6.817686 
1 1 1   14   17   33 o  157.617   9.4611  3878.98  453.053  3842.11  633.016  3917.69  648.698  155.070   13.509  156.490   13.720 -1.420120 19.25431 
1 1 1   14   17   34 o  168.880   5.3847  4382.46  277.559  4422.63  303.467  4176.88  686.516  169.545   5.8642  161.158   14.098 8.386902 15.26946 
1 1 1   14   17   35 o   43.120   10.413  302.838  135.493  302.838  135.493   0.0000   0.0000   43.120   10.413  ?   ?  0.000000 10.41260 
1 1 1   14   17   36 o   40.797   10.723  271.355  135.286  271.355  135.286   0.0000   0.0000   40.797   10.723  ?   ?  0.000000 10.72341 
1 1 1   14   17   37 o   20.110   7.6660   44.099   65.310 -191.6246  530.979   47.720   65.809   42.017   19.071   20.457   7.7198 21.55955 20.57466 
1 1 1   14   18    0 o  415.260   18.259 26859.22  2304.12 26859.22  2304.12 26859.22  2304.12  415.260   18.259  415.260   18.259 0.000000 0.000000 
1 1 1   14   18    1 o  141.781   4.8833  3074.12  211.325  3127.78  228.691  2760.54  552.863  142.990   5.2399  132.706   13.853 10.28362 14.81131 
1 1 1   14   18    2 o  161.038   9.5291  4002.68  466.296   0.0000   0.0000  4002.68  466.296  ?   ?   161.038   9.5291 0.000000 9.529111 
1 1 1   14   18    3 o  156.652   5.3187  3754.32  254.309   0.0000   0.0000  3754.32  254.309  ?   ?   156.652   5.3187 0.000000 5.318748 
1 1 1   14   18    4 o  267.627   6.9261 10976.79  565.762 12044.78  1505.25 10801.10  610.528  276.522   17.931  265.374   7.5375 11.14813 19.45100 
1 1 1   14   18    5 o  395.434   9.0569 24036.72  1093.13 24501.99  1303.37 22933.29  2007.19  398.671   10.711  382.685   17.184 15.98657 20.24915 
1 1 1   14   18    6 o  317.339   7.5990 15447.71  736.033 15596.65  876.603 15091.78  1355.15  318.533   9.0164  311.663   14.246 6.870514 16.85929 
1 1 1   14   18    7 o  286.694   10.680 12672.31  934.597 13119.12  1643.38 12458.72  1136.23  288.103   18.791  283.532   13.129 4.570374 22.92374 
1 1 1   14   18    8 o   60.185   4.6979  557.252   85.615  649.957  434.233  553.502   87.329   64.152   20.008   59.969   4.8116 4.183022 20.57820 
1 1 1   14   18    9 o  333.814   7.8494 17102.11  799.752 17788.51  880.106 13849.66  1915.81  340.288   8.4737  294.388   21.469 45.89984 23.08109 
1 1 1   14   18   10 o  107.082   4.5392  1753.30  148.360  1753.30  148.360   0.0000   0.0000  107.082   4.5392  ?   ?  0.000000 4.539228 
1 1 1   14   18   11 o  146.711   12.865  3360.57  570.273  3360.57  570.273   0.0000   0.0000  146.711   12.865  ?   ?  0.000000 12.86503 
1 1 1   14   18   12 o  167.827   8.9756  4343.91  458.105  4418.42  635.222  4263.15  661.282  168.462   12.442  165.248   13.222 3.213715 18.15535 
1 1 1   14   18   13 o  324.169   7.0567 16115.78  698.221 16596.24  814.735 14787.04  1354.90  328.707   8.1207  308.151   14.405 20.55615 16.53670 
1 1 1   14   18   14 o  166.492   4.8605  4240.37  246.997  4239.29  291.510  4243.12  465.057  166.393   5.7398  165.786   9.2271 0.6075897 10.86671 
1 1 1   14   18   15 o  219.448   4.4876  7364.61  300.581  7866.10  476.255  7032.60  387.510  226.480   6.8896  214.280   5.9249 12.19940 9.086871 
1 1 1   14   18   16 o  150.943   8.8588  3517.57  406.346   0.0000   0.0000  3517.57  406.346  ?   ?   150.943   8.8588 0.000000 8.858787 
1 1 1   14   18   17 o   68.558   11.142  744.858  225.138   0.0000   0.0000  744.858  225.138  ?   ?    68.558   11.142 0.000000 11.14157 
1 1 1   14   18   18 o  111.040   10.934  1924.43  365.775   0.0000   0.0000  1924.43  365.775  ?   ?   111.040   10.934 0.000000 10.93423 
1 1 1   14   18   19 o  218.688   15.334  7530.17  1017.02   0.0000   0.0000  7530.17  1017.02  ?   ?   218.688   15.334 0.000000 15.33354 
1 1 1   14   18   20 o  205.245   11.491  6549.83  716.996  7332.00  1283.98  6195.41  864.307  213.368   19.947  198.570   14.357 14.79863 24.57689 
1 1 1   14   18   21 o  191.578   4.8101  5617.32  281.265  5886.56  357.911  5182.54  454.816  195.962   5.9839  183.528   8.1192 12.43350 10.08611 
1 1 1   14   18   22 o   97.305   4.5391  1448.82  134.809  1406.93  158.952  1556.18  254.443   95.676   5.4658  100.180   8.3988 -4.504166 10.02071 
1 1 1   14   18   23 o  183.928   8.1823  5209.68  459.342  6148.64  860.648  4835.68  543.174  197.491   14.377  176.503   10.125 20.98737 17.58398 
1 1 1   14   18   24 o  219.486   4.8016  7376.14  321.672  7917.70  416.300  6573.69  506.745  227.191   6.0034  206.594   8.0362 20.59682 10.03106 
1 1 1   14   18   25 o  175.612   3.3960  4714.64  182.030  5447.73  278.985  4171.20  240.204  188.602   4.8464  165.042   4.7684 23.56052 6.798858 
1 1 1   14   18   26 o  122.435   4.1492  2293.97  155.055  2294.85  164.492  2286.94  464.471  122.437   4.4016  120.210   12.858 2.227127 13.59095 
1 1 1   14   18   27 o  181.122   5.8669  5035.71  324.337  5134.84  361.688  4628.75  732.842  182.779   6.4832  170.733   14.192 12.04561 15.60229 
1 1 1   14   18   28 o   95.834   4.0316  1405.75  117.928  1543.46  230.525  1356.94  137.245   99.758   7.6288   93.977   4.8008 5.781647 9.013678 
1 1 1   14   18   29 o  182.358   6.0751  5111.56  338.141  5111.56  338.141   0.0000   0.0000  182.358   6.0751  ?   ?  0.000000 6.075116 
1 1 1   14   18   30 o  113.322   5.7838  1978.58  199.387  2044.67  226.875  1754.35  417.906  115.065   6.4863  104.513   13.410 10.55187 14.89622 
1 1 1   14   18   31 o   53.130   4.1614  435.082   66.944  394.062  111.711  458.066   83.621   49.954   7.5633   54.393   5.0962 -4.438831 9.120049 
1 1 1   14   18   32 f  114.851   3.3120  2018.39  116.104  2133.90  158.932  1886.20  170.020  117.971   4.4138  110.837   5.0257 7.134605 6.688803 
1 1 1   14   18   33 o  171.154   5.6258  4506.93  293.892  4563.30  324.413  4248.90  694.042  172.078   6.1767  162.205   14.161 9.872818 15.44903 
1 1 1   14   18   34 o   54.494   12.551  490.221  204.446  607.359  565.590  472.615  219.272   62.058   22.780   53.334   13.467 8.723568 26.46342 
1 1 1   14   18   35 o  153.895   3.9246  3630.56  184.344  4033.38  280.037  3322.52  244.889  161.815   5.6699  146.915   5.4612 14.90083 7.872279 
1 1 1   14   19    0 o  252.447   17.531 10011.34  1335.88 10011.34  1335.88 10011.34  1335.88  252.447   17.531  252.447   17.531 0.000000 0.000000 
1 1 1   14   19    1 o  155.697   5.8510  3711.91  278.054   0.0000   0.0000  3711.91  278.054  ?   ?   155.697   5.8510 0.000000 5.851023 
1 1 1   14   19    2 o  268.108   7.8570 11036.35  642.959   0.0000   0.0000 11036.35  642.959  ?   ?   268.108   7.8570 0.000000 7.856987 
1 1 1   14   19    3 o  372.543   8.9681 21348.15  1019.74 21230.22  1215.03 21629.13  1875.54  370.884   10.733  371.503   16.540 -0.6187439 19.71774 
1 1 1   14   19    4 o  244.697   17.339  9451.92  1286.61  9451.92  1286.61   0.0000   0.0000  244.697   17.339  ?   ?  0.000000 17.33896 
1 1 1   14   19    5 o  231.356   6.7362  8205.51  475.680   0.0000   0.0000  8205.51  475.680  ?   ?   231.356   6.7362 0.000000 6.736232 
1 1 1   14   19    6 o  165.967   5.2359  4215.28  265.233  3984.25  312.269  4813.62  502.537  161.251   6.3447  176.584   9.3573 -15.33235 11.30550 
1 1 1   14   19    7 o  114.219   7.5015  2010.81  260.066  1736.56  473.064  2129.60  311.333  104.418   15.297  117.355   8.7548 -12.93695 17.62500 
1 1 1   14   19    8 o  388.157   9.4914 23205.98  1124.49 23964.89  2940.28 23075.96  1217.01  383.228   25.279  386.749   10.310 -3.521179 27.30053 
1 1 1   14   19    9 o  204.397   15.143  6560.92  937.984   0.0000   0.0000  6560.92  937.984  ?   ?   204.397   15.143 0.000000 15.14274 
1 1 1   14   19   10 o  264.736   7.4461 10758.48  601.673 10588.53  661.095 11578.35  1452.07  262.462   8.2524  270.485   17.686 -8.022552 19.51644 
1 1 1   14   19   11 o  100.280   5.6228  1544.69  171.408  1667.19  228.149  1385.94  259.723  103.980   7.2337   94.447   9.1231 9.532684 11.64297 
1 1 1   14   19   12 o  340.762   7.6545 17834.99  796.128 18354.65  864.977 14955.01  2036.30  345.528   8.2017  304.340   22.071 41.18726 23.54586 
1 1 1   14   19   13 o  158.569   5.4530  3850.08  263.918  3710.47  1087.38  3858.82  272.053  149.314   24.725  158.733   5.6153 -9.419052 25.35433 
1 1 1   14   19   14 f  173.474   8.7508  4644.38  461.845  4460.58  1133.19  4680.99  505.755  164.650   23.191  173.970   9.5613 -9.320007 25.08505 
1 1 1   14   19   15 o  241.052   5.9246  8904.34  435.902  9114.39  520.378  8410.27  798.084  243.681   6.9965  233.030   11.221 10.65027 13.22326 
1 1 1   14   19   16 o   67.159   6.0561  696.930  122.806  696.253  132.924  700.873  320.907   67.052   6.5797   65.479   16.156 1.572601 17.44458 
1 1 1   14   19   17 o   83.259   4.8261  1064.53  122.118  1055.09  129.834  1136.88  359.593   82.851   5.1598   84.098   14.535 -1.246109 15.42356 
1 1 1   14   19   18 o  327.157   11.915 16634.52  1189.82 15506.29  2078.67 17184.29  1451.03  308.394   22.232  331.173   14.355 -22.77872 26.46395 
1 1 1   14   19   19 o  194.017   5.9709  5772.16  353.590  5710.73  389.645  6058.76  841.628  192.877   6.6187  196.163   14.152 -3.286438 15.62309 
1 1 1   14   19   20 o   60.052   10.768  575.446  190.117   0.0000   0.0000  575.446  190.117  ?   ?    60.052   10.768 0.000000 10.76797 
1 1 1   14   19   21 o   62.631   10.479  623.870  193.248   0.0000   0.0000  623.870  193.248  ?   ?    62.631   10.479 0.000000 10.47916 
1 1 1   14   19   22 o  107.641   6.0631  1783.74  198.389  1906.72  251.834  1582.59  322.079  111.058   7.4728  100.427   10.671 10.63130 13.02732 
1 1 1   14   19   23 o  101.155   5.5649  1574.03  171.155  1454.11  235.293  1708.79  249.425   96.787   8.0375  105.014   7.8382 -8.226753 11.22669 
1 1 1   14   19   24 o  116.876   3.6334  2089.37  129.616  2260.96  173.746  1874.03  194.636  121.491   4.6855  110.349   5.7992 11.14216 7.455454 
1 1 1   14   19   25 o  133.595   3.9152  2731.27  159.647  2721.42  881.618  2731.61  162.331  125.693   23.853  133.596   3.9810 -7.903671 24.18265 
1 1 1   14   19   26 o  147.188   3.8062  3315.41  170.994  3498.92  289.053  3216.62  212.083  150.846   6.2781  144.860   4.7967 5.986298 7.900803 
1 1 1   14   19   27 o   46.597   5.4189  337.785   75.632  348.024   84.991  298.820  165.794   47.202   6.0375   42.999   12.114 4.202988 13.53560 
1 1 1   14   19   28 o   58.419   4.1501  525.392   73.518  804.440  164.785  456.046   82.147   71.755   7.6415   54.288   5.0142 17.46669 9.139766 
1 1 1   14   19   29 o  142.547   4.4225  3115.18  192.418  3329.19  230.176  2618.61  350.623  147.247   5.1215  129.500   8.9251 17.74734 10.29012 
1 1 1   14   19   30 o  136.390   3.6274  2848.23  151.005  3013.55  170.950  2261.18  322.135  140.244   3.9936  120.254   8.8384 19.99037 9.698823 
1 1 1   14   19   31 o   94.598   4.1040  1371.77  118.498  1719.20  575.885  1356.41  121.089   99.874   19.591   94.055   4.2180 5.819038 20.04029 
1 1 1   14   19   32 o   28.814   10.559  107.248  121.449  107.248  121.449   0.0000   0.0000   28.814   10.559  ?   ?  0.000000 10.55937 
1 1 1   14   19   33 o  140.537   6.0139  3046.52  257.966  3046.52  257.966   0.0000   0.0000  140.537   6.0139  ?   ?  0.000000 6.013855 
1 1 1   14   20    1 o   52.012   17.694  399.866  335.961  399.866  335.961   0.0000   0.0000   52.012   17.694  ?   ?  0.000000 17.69439 
1 1 1   14   20    2 o  197.129   5.9666  5954.17  359.003  5893.78  391.072  6277.74  905.231  196.049   6.5354  199.809   14.952 -3.759796 16.31754 
1 1 1   14   20    3 o  151.102   3.9028  3490.38  179.995  3306.39  265.131  3647.67  245.146  146.902   5.9131  154.366   5.2030 -7.463837 7.876293 
1 1 1   14   20    4 o  167.806   5.1281  4310.17  262.652  4115.37  731.736  4338.98  281.405  161.519   15.015  168.330   5.4771 -6.811264 15.98241 
1 1 1   14   20    5 o  106.864   4.6517  1747.12  151.727  1651.19  173.714  2055.76  311.589  103.692   5.5085  115.201   8.9313 -11.50893 10.49340 
1 1 1   14   20    6 o  154.943   3.8483  3670.08  181.997  3417.67  270.343  3879.29  246.124  149.345   5.9307  159.199   5.0652 -9.853683 7.799338 
1 1 1   14   20    7 o  233.062   11.615  8420.20  826.236  8261.25  1181.19  8572.50  1156.16  228.232   17.080  232.867   16.371 -4.634857 23.65836 
1 1 1   14   20    8 o  248.708   6.7984  9491.58  516.075  9574.69  566.676  9087.54  1249.41  249.661   7.4365  239.302   17.221 10.35962 18.75793 
1 1 1   14   20    9 o  241.340   5.2705  8918.56  388.236  8381.29  551.041  9448.13  547.079  233.510   7.7315  248.039   7.2263 -14.52853 10.58273 
1 1 1   14   20   10 o  211.469   8.8795  6890.49  573.129  6776.57  1009.36  6944.70  696.258  206.895   16.111  211.545   10.819 -4.649933 19.40660 
1 1 1   14   20   11 o  211.371   5.7507  6846.46  371.011  6791.42  440.276  6981.29  689.076  210.337   6.8579  212.121   10.677 -1.783829 12.68993 
1 1 1   14   20   12 o  142.428   5.4339  3107.49  236.221  3406.37  312.696  2710.18  360.520  148.952   6.8780  132.287   8.9821 16.66502 11.31301 
1 1 1   14   20   13 o  159.322   9.3452  3931.04  452.455   0.0000   0.0000  3931.04  452.455  ?   ?   159.322   9.3452 0.000000 9.345153 
1 1 1   14   20   14 o   40.494   7.1806  259.367   85.500  257.431   90.069  277.008  271.894   40.266   7.6073   44.685   15.874 -4.419022 17.60284 
1 1 1   14   20   15 o  139.017   5.4742  2961.53  232.276  2961.53  232.276   0.0000   0.0000  139.017   5.4742  ?   ?  0.000000 5.474189 
1 1 1   14   20   16 o  140.838   9.4579  3079.01  404.208  3123.76  589.636  3039.33  555.190  140.504   13.933  138.804   13.266 1.699371 19.23843 
1 1 1   14   20   17 o  197.325   5.5572  5969.38  334.698  5719.85  397.286  6579.53  621.237  192.949   6.7460  206.156   9.8729 -13.20718 11.95751 
1 1 1   14   20   18 o  265.769   4.5188 10813.25  366.563 10954.26  470.801 10596.16  584.140  267.232   5.7721  262.430   7.2927 4.802551 9.300520 
1 1 1   14   20   19 o   51.135   7.5332  411.065  114.053  438.598  185.151  394.228  144.783   52.020   11.917   49.590   9.9120 2.429485 15.50045 
1 1 1   14   20   20 o   59.113   4.9338  539.133   88.204  500.854  102.422  649.014  173.532   56.806   5.9978   64.155   9.1187 -7.348377 10.91440 
1 1 1   14   20   21 o  180.240   5.1938  4981.32  285.726  5002.76  334.369  4923.29  550.095  180.472   6.0702  177.723   10.183 2.748734 11.85526 
1 1 1   14   20   22 o  222.609   6.0867  7614.55  413.564  7602.69  506.265  7638.35  717.006  222.053   7.4697  221.423   10.609 0.6297760 12.97507 
1 1 1   14   20   23 o   27.162   9.2508  105.965   91.829   84.638  201.561  111.550  103.157   32.718   13.164   28.200   9.7966 4.518524 16.40940 
1 1 1   14   20   24 o  135.576   5.0519  2820.03  209.054  2897.87  290.284  2736.16  301.318  136.937   6.9682  132.931   7.4566 4.006653 10.20571 
1 1 1   14   20   25 o  178.976   7.3475  4946.61  401.378  4826.58  1076.12  4966.01  432.596  168.619   21.390  179.159   7.9109 -10.53952 22.80618 
1 1 1   14   20   26 o   47.169   4.6371  344.490   65.898   97.206  288.137  358.138   67.692   37.840   15.547   48.098   4.6699 -10.25745 16.23309 
1 1 1   14   20   27 o  112.553   3.7744  1940.10  129.663  1927.14  144.628  1993.21  292.705  112.126   4.2260  112.961   8.5530 -0.8347397 9.540062 
1 1 1   14   20   28 o  138.616   3.2245  2940.30  136.425  2989.20  181.141  2876.23  207.377  139.624   4.2505  136.843   4.9650 2.781082 6.535912 
1 1 1   14   20   29 o  245.039   9.7795  9405.46  731.425  9655.87  1298.61  9289.11  885.188  240.736   17.800  241.960   11.986 -1.224213 21.45900 
1 1 1   14   20   30 o   54.574   5.7961  463.980   95.070  473.401  102.528  406.204  253.908   55.050   6.2105   49.661   15.269 5.389191 16.48325 
1 1 1   14   20   31 o   40.286   7.0944  258.585   84.048  276.210   93.732  186.267  189.866   41.542   7.6751   36.603   13.235 4.939342 15.29916 
1 1 1   14   21    1 o  172.763   5.5241  4573.29  291.292  4659.49  755.396  4558.23  315.708  171.798   14.542  172.417   5.9992 -0.6189575 15.73122 
1 1 1   14   21    2 o  251.162   7.6489  9701.38  586.370  9701.38  586.370   0.0000   0.0000  251.162   7.6489  ?   ?  0.000000 7.648931 
1 1 1   14   21    3 o  134.389   10.043  2807.98  408.974  2043.90  585.545  3535.75  571.464  112.237   17.677  150.149   12.586 -37.91209 21.69994 
1 1 1   14   21    4 o   81.226   11.214  1042.02  270.603   0.0000   0.0000  1042.02  270.603  ?   ?    81.226   11.214 0.000000 11.21389 
1 1 1   14   21    5 o  177.766   5.1596  4839.90  279.948  4928.23  328.584  4606.02  534.691  179.267   6.0052  172.232   10.217 7.035324 11.85104 
1 1 1   14   21    6 o  197.044   5.8094  5952.58  349.392  5265.05  899.736  6074.66  379.147  181.792   16.392  198.985   6.2427 -17.19246 17.54004 
1 1 1   14   21    7 o   56.686   5.4786  496.954   93.609  507.781   98.703  400.102  295.209   57.272   5.7230   50.908   16.569 6.364258 17.52953 
1 1 1   14   21    8 o  260.259   5.3511 10378.48  425.073  9866.10  633.175 10798.88  573.528  253.074   8.1971  265.078   7.0886 -12.00459 10.83703 
1 1 1   14   21    9 o  274.592   10.508 11687.98  880.706 11625.80  1545.62 11717.88  1071.71  268.638   18.972  273.910   12.819 -5.271759 22.89699 
1 1 1   14   21   10 o   80.029   9.8090  1005.23  234.587   0.0000   0.0000  1005.23  234.587  ?   ?    80.029   9.8090 0.000000 9.809037 
1 1 1   14   21   11 o  166.761   9.4753  4313.90  480.298   0.0000   0.0000  4313.90  480.298  ?   ?   166.761   9.4753 0.000000 9.475339 
1 1 1   14   21   12 o   66.309   9.2170  692.174  181.500  696.023  373.982  690.989  207.586   64.927   18.161   65.921   10.683 -0.9941559 21.06950 
1 1 1   14   21   13 o  245.876   6.3348  9284.11  475.405  9274.35  565.684  9307.57  877.204  245.424   7.5516  244.326   11.763 1.098312 13.97829 
1 1 1   14   21   14 f  153.733   5.0038  3621.35  234.792  3462.80  276.846  4027.59  443.133  150.192   6.0391  161.149   9.0459 -10.95711 10.87653 
1 1 1   14   21   15 o   32.832   11.380  152.388  139.158  162.007  297.174  149.687  157.493   40.881   16.136   33.533   12.063 7.348259 20.14727 
1 1 1   14   21   16 f  122.895   4.5376  2313.12  170.207  2217.75  198.525  2577.73  330.679  120.245   5.4092  128.904   8.4515 -8.659676 10.03426 
1 1 1   14   21   17 o  249.818   10.455  9711.67  797.215  9872.88  1013.97  9450.70  1290.12  250.059   13.333  241.664   17.612 8.394608 22.08960 
1 1 1   14   21   18 o   45.880   5.5309  327.689   75.892  344.303   79.059  132.700  270.850   47.030   5.6188   38.439   15.331 8.591412 16.32850 
1 1 1   14   21   19 o  159.657   4.4415  3905.21  216.436  3905.21  216.436   0.0000   0.0000  159.657   4.4415  ?   ?  0.000000 4.441458 
1 1 1   14   21   20 o   37.361   9.4934  225.245  108.479  350.787  176.203  148.618  137.660   46.398   12.259   32.442   11.314 13.95614 16.68193 
1 1 1   14   21   21 o  102.794   4.1038  1618.48  128.757  1687.19  151.539  1440.10  244.168  104.890   4.7334   96.056   8.4129 8.834076 9.653088 
1 1 1   14   21   22 o   74.463   4.4311  852.945  100.255  795.978  119.657  987.135  183.649   71.766   5.5046   79.543   7.6590 -7.776863 9.431953 
1 1 1   14   21   23 o   27.299   9.4622  105.341   96.207  219.858  204.940   72.971  108.959   39.144   13.795   25.853   9.8907 13.29113 16.97432 
1 1 1   14   21   24 o  107.161   7.7747  1788.15  252.564  1788.15  252.564   0.0000   0.0000  107.161   7.7747  ?   ?  0.000000 7.774669 
1 1 1   14   21   25 o  114.285   26.946  2445.66  924.638  2445.66  924.638   0.0000   0.0000  114.285   26.946  ?   ?  0.000000 26.94621 
1 1 1   14   21   26 o  169.871   13.945  4668.00  716.658   0.0000   0.0000  4668.00  716.658  ?   ?   169.871   13.945 0.000000 13.94520 
1 1 1   14   21   28 o  152.661   5.1127  3585.15  238.230  3621.82  261.521  3406.33  577.473  153.321   5.5884  145.084   13.184 8.237274 14.31994 
1 1 1   14   22    0 o   46.060   21.849  490.142  349.262  490.142  349.262  490.142  349.262   46.060   21.849   46.060   21.849 0.000000 0.000000 
1 1 1   14   22    1 o  166.430   5.8509  4250.14  297.216   0.0000   0.0000  4250.14  297.216  ?   ?   166.430   5.8509 0.000000 5.850919 
1 1 1   14   22    2 o  148.013   14.399  3482.77  642.268  3482.77  642.268   0.0000   0.0000  148.013   14.399  ?   ?  0.000000 14.39899 
1 1 1   14   22    3 o  133.077   4.9447  2713.26  200.843  2421.45  229.229  3677.47  416.677  125.604   5.9793  154.010   8.9021 -28.40562 10.72373 
1 1 1   14   22    4 o  124.176   5.3231  2363.98  201.751  2363.98  201.751   0.0000   0.0000  124.176   5.3231  ?   ?  0.000000 5.323069 
1 1 1   14   22    6 o  139.633   5.5569  2990.72  236.833  2990.72  236.833   0.0000   0.0000  139.633   5.5569  ?   ?  0.000000 5.556937 
1 1 1   14   22    7 o  165.878   7.9814  4244.00  404.094  4476.70  743.614  4146.49  481.373  167.700   14.675  163.276   9.7029 4.424561 17.59299 
1 1 1   14   22    8 o  146.493   5.1528  3289.91  230.399   0.0000   0.0000  3289.91  230.399  ?   ?   146.493   5.1528 0.000000 5.152826 
1 1 1   14   22    9 o  146.229   9.3217  3325.37  413.882   0.0000   0.0000  3325.37  413.882  ?   ?   146.229   9.3217 0.000000 9.321683 
1 1 1   14   22   10 o  411.338   10.535 26331.05  1322.61   0.0000   0.0000 26331.05  1322.61  ?   ?   411.338   10.535 0.000000 10.53454 
1 1 1   14   22   11 o  161.160   5.4890  3985.50  270.002  3912.95  295.668  4349.78  662.532  159.589   6.0699  165.736   13.207 -6.146088 14.53480 
1 1 1   14   22   12 o  196.266   4.6449  5902.44  278.251  5536.60  399.123  6248.39  388.120  189.627   6.8959  201.593   6.3077 -11.96654 9.345617 
1 1 1   14   22   13 o  241.784   9.6871  9083.63  714.887  8708.36  1254.73  9264.00  869.888  231.235   17.918  243.169   11.720 -11.93379 21.41049 
1 1 1   14   22   14 o  280.706   4.9041 12083.03  420.176 11614.80  539.040 12808.05  670.760  274.741   6.4281  288.027   7.6299 -13.28531 9.976718 
1 1 1   14   22   15 o  122.116   4.1858  2284.08  156.014  2224.31  164.624  2811.03  488.836  120.477   4.4769  133.188   12.159 -12.71167 12.95692 
1 1 1   14   22   16 f   60.337   8.7413  575.822  156.293  653.130  185.714  388.144  289.360   64.068   9.8093   49.736   16.415 14.33168 19.12225 
1 1 1   14   22   17 o  157.208   5.0008  3792.80  239.957  3811.47  263.143  3700.64  584.636  157.507   5.4736  152.532   12.672 4.975464 13.80399 
1 1 1   14   22   18 o   34.145   11.030  178.729  130.969  102.139  293.058  197.843  146.402   38.255   15.694   35.915   11.667 2.340046 19.55542 
1 1 1   14   22   19 o   62.706   4.3593  605.710   82.916  600.192   94.183  624.721  174.820   62.327   4.9928   62.655   9.4340 -0.3283386 10.67371 
1 1 1   14   22   20 o  155.881   3.3481  3718.86  159.298  3672.16  210.494  3781.46  243.699  154.730   4.4571  156.896   5.0889 -2.166367 6.764774 
1 1 1   14   22   21 o   34.183   11.069  179.781  131.837  274.383  209.607  117.859  169.581   42.090   13.974   32.206   12.335 9.884136 18.63949 
1 1 1   14   22   22 o   71.291   12.081  826.325  253.497  1400.25  922.731  779.473  263.641   85.522   29.323   68.876   13.018 16.64559 32.08286 
1 1 1   14   22   23 o   52.866   5.1878  433.863   82.633  482.036   90.366  187.972  204.161   55.717   5.3807   37.328   13.689 18.38834 14.70858 
1 1 1   14   22   24 o  206.311   8.8777  6649.65  559.034  6515.42  994.712  6711.62  675.869  198.050   16.609  205.884   10.793 -7.833923 19.80744 
1 1 1   14   22   25 o   76.017   4.4015  890.146  101.687  951.802  116.571  693.904  207.971   78.532   4.8875   65.483   10.781 13.04880 11.83681 
1 1 1   14   23    0 o   50.443   6.2299  407.071   91.988  407.071   91.988  407.071   91.988   50.443   6.2299   50.443   6.2299 0.000000 0.000000 
1 1 1   14   23    1 o  185.796   10.383  5396.37  586.479  5367.69  832.911  5424.57  825.945  182.945   15.050  184.047   14.829 -1.101532 21.12791 
1 1 1   14   23    2 o   60.542   5.3093  566.750   97.118   0.0000   0.0000  566.750   97.118  ?   ?    60.542   5.3093 0.000000 5.309271 
1 1 1   14   23    3 o   77.189   4.9668  917.504  116.396  916.886  123.457  922.447  349.181   77.119   5.2766   74.629   15.821 2.490410 16.67736 
1 1 1   14   23    4 o  174.252   5.5566  4662.71  295.533  4979.54  774.498  4608.72  319.724  176.403   14.513  173.140   6.0501 3.263077 15.72384 
1 1 1   14   23    5 o  169.676   5.9760  4425.74  309.494  4425.74  309.494   0.0000   0.0000  169.676   5.9760  ?   ?  0.000000 5.976040 
1 1 1   14   23    6 o  254.383   12.569 10198.62  975.867  9895.68  1384.54 10497.69  1375.68  245.426   18.622  253.495   17.895 -8.068726 25.82613 
1 1 1   14   23    7 o   98.831   14.183  1580.75  415.564   0.0000   0.0000  1580.75  415.564  ?   ?    98.831   14.183 0.000000 14.18256 
1 1 1   14   23    8 o  178.561   14.520  5114.33  784.483   0.0000   0.0000  5114.33  784.483  ?   ?   178.561   14.520 0.000000 14.51973 
1 1 1   14   23    9 o   65.831   11.929  701.078  230.870  732.439  418.351  687.344  276.843   65.806   19.465   64.484   14.427 1.322418 24.22827 
1 1 1   14   23   10 o  124.164   3.4109  2358.89  129.266  2569.65  200.143  2208.05  169.320  129.390   5.0679  119.998   4.6229 9.391273 6.859620 
1 1 1   14   23   11 f   53.073   10.360  454.642  161.798  525.864  434.652  443.185  174.327   57.858   20.109   52.185   11.274 5.672672 23.05361 
1 1 1   14   23   12 o  243.227   4.8761  9079.01  361.995  9866.38  542.823  8448.41  485.787  252.794   7.0352  234.013   6.8013 18.78140 9.785232 
1 1 1   14   23   13 o   40.444   7.7706  261.487   92.437  224.274  111.499  343.282  165.305   37.230   9.7108   45.808   11.762 -8.578423 15.25286 
1 1 1   14   23   14 o  250.767   6.9746  9713.55  533.836 11536.89  1359.60  9381.22  580.452  265.237   16.882  246.104   7.7273 19.13319 18.56654 
1 1 1   14   23   15 o  145.182   4.9554  3237.10  219.587  3271.70  242.426  3078.99  518.227  145.861   5.4453  138.849   12.357 7.011719 13.50385 
1 1 1   14   23   16 o  225.036   6.9394  7827.55  476.643  7841.06  534.368  7774.97  1054.32  224.863   7.7859  217.977   15.958 6.885040 17.75588 
1 1 1   14   23   17 o   23.969   9.7155   40.027  110.668   8.6574  205.327   52.872  131.386   29.788   12.732   26.333   10.617 3.455130 16.57747 
1 1 1   14   23   18 o  187.024   4.3823  5367.26  250.161  5255.19  277.754  5848.73  575.708  184.930   4.9208  192.911   9.8098 -7.980927 10.97481 
1 1 1   14   23   19 o   76.336   6.3677  905.917  147.010  1181.52  375.726  856.099  159.745   84.121   15.193   74.011   7.1611 10.11060 16.79571 
1 1 1   14   23   20 o  106.130   14.941  1863.58  470.588   0.0000   0.0000  1863.58  470.588  ?   ?   106.130   14.941 0.000000 14.94086 
1 1 1   14   23   21 o  149.505   12.864  3611.23  581.303   0.0000   0.0000  3611.23  581.303  ?   ?   149.505   12.864 0.000000 12.86411 
1 1 1   14   23   22 o   37.798   11.435  230.050  143.180  450.054  332.196  179.855  158.676   52.401   17.596   34.977   12.150 17.42411 21.38342 
1 1 1   14   24    0 o   96.571   15.493  1563.22  421.437  1563.22  421.437  1563.22  421.437   96.571   15.493   96.571   15.493 0.000000 0.000000 
1 1 1   14   24    1 o   97.884   3.5101  1466.71  104.867  1356.83  148.631  1575.64  147.981   93.830   5.2103  101.319   4.7852 -7.489166 7.074233 
1 1 1   14   24    2 o  163.227   14.229  4299.75  701.796   0.0000   0.0000  4299.75  701.796  ?   ?   163.227   14.229 0.000000 14.22873 
1 1 1   14   24    3 o   77.233   3.5067  913.152   82.664  1079.56  120.762  766.432  113.394   83.736   4.7445   70.420   5.3148 13.31665 7.124414 
1 1 1   14   24    4 o   41.084   14.139  252.122  214.624  286.926  335.293  227.962  279.355   46.450   17.447   42.210   15.911 4.240723 23.61232 
1 1 1   14   24    5 o   17.629   7.1535   19.864   60.069   0.0000   0.0000   19.864   60.069  ?   ?    17.629   7.1535 0.000000 7.153538 
1 1 1   14   24    6 o  100.666   12.860  1635.33  386.106   0.0000   0.0000  1635.33  386.106  ?   ?   100.666   12.860 0.000000 12.86015 
1 1 1   14   24    7 o  107.354   15.501  1900.47  493.213  1900.47  493.213   0.0000   0.0000  107.354   15.501  ?   ?  0.000000 15.50129 
1 1 1   14   24    8 o  242.953   5.9838  9094.54  443.725  9424.67  526.032  8280.16  826.183  246.900   6.9803  228.365   11.894 18.53563 13.79116 
1 1 1   14   24    9 o   92.821   17.891  1466.28  488.479  1466.28  488.479   0.0000   0.0000   92.821   17.891  ?   ?  0.000000 17.89054 
1 1 1   14   24   10 o  195.710   6.5431  5914.96  390.855  5914.96  390.855   0.0000   0.0000  195.710   6.5431  ?   ?  0.000000 6.543128 
1 1 1   14   24   11 o  169.255   5.1285  4404.52  264.938  4599.03  289.487  3401.37  657.411  172.859   5.4868  144.014   15.185 28.84494 16.14576 
1 1 1   14   24   12 o   56.901   10.323  523.700  172.689  592.558  441.332  511.252  187.651   59.683   20.280   55.910   11.383 3.773827 23.25664 
1 1 1   14   24   13 o   90.883   4.7127  1272.17  130.279  1273.03  153.411  1269.94  246.722   90.750   5.5654   89.686   9.1407 1.063713 10.70162 
1 1 1   14   24   14 o  164.382   9.5104  4250.14  475.128  4947.81  749.301  3780.99  614.452  174.311   14.207  152.854   13.303 21.45714 19.46309 
1 1 1   14   24   15 o  100.147   4.7954  1541.58  146.581  1584.18  164.953  1381.67  319.601  101.295   5.3543   92.615   11.558 8.679550 12.73757 
1 1 1   14   24   16 o  148.689   3.7062  3388.82  168.198  3583.95  260.650  3249.59  220.176  152.481   5.6005  145.350   4.9629 7.131653 7.483047 
1 1 1   14   24   17 o  105.823   7.6893  1750.86  246.664  2251.46  551.679  1625.78  275.764  115.851   16.031  101.505   8.9940 14.34598 18.38177 
1 1 1   14   25    0 o   70.285   5.1983  769.051  110.115  769.051  110.115  769.051  110.115   70.285   5.1983   70.285   5.1983 0.000000 0.000000 
1 1 1   14   25    1 o  144.730   9.6475  3301.64  423.736  3370.02  602.393  3234.66  596.163  143.834   13.894  140.787   14.062 3.046631 19.76824 
1 1 1   14   25    2 o   60.787   16.991  633.904  327.488   0.0000   0.0000  633.904  327.488  ?   ?    60.787   16.991 0.000000 16.99120 
1 1 1   14   25    3 o  113.028   13.164  2077.18  445.635   0.0000   0.0000  2077.18  445.635  ?   ?   113.028   13.164 0.000000 13.16406 
1 1 1   14   25    4 o  160.031   13.924  4170.12  673.325   0.0000   0.0000  4170.12  673.325  ?   ?   160.031   13.924 0.000000 13.92363 
1 1 1   14   25    5 o   64.543   11.246  677.812  213.490  761.068  366.625  635.097  262.606   66.207   17.771   61.448   14.274 4.758976 22.79386 
1 1 1   14   25    6 o  129.852   4.7193  2591.47  187.044  2645.94  204.693  2315.87  460.451  131.129   5.1143  119.528   12.821 11.60117 13.80374 
1 1 1   14   25    7 o   33.354   12.410  143.204  168.848  379.304  328.735   58.596  196.790   49.424   17.466   31.006   12.806 18.41789 21.65722 
1 1 1   14   25    8 o  181.194   4.9895  5051.02  275.944  5169.48  324.222  4739.71  525.593  183.047   5.8031  173.182   9.9856 9.864609 11.54941 
1 1 1   14   25    9 o  156.518   4.7340  3766.33  226.156  3961.91  249.126  2850.04  539.223  160.440   5.0873  132.139   13.562 28.30052 14.48471 
1 1 1   14   25   10 o  135.008   4.6601  2801.93  192.031  3288.09  619.869  2750.31  201.967  141.243   14.589  133.697   4.9493 7.546326 15.40536 
1 1 1   15    0    1 o   30.641   17.746  177.863  270.358  177.863  270.358  177.863  270.358   30.641   17.746   30.641   17.746 0.000000 0.000000 
1 1 1   15    0    2 o  140.359   13.333  3102.55  559.362  3102.55  559.362  3102.55  559.362  140.359   13.333  140.359   13.333 0.000000 0.000000 
1 1 1   15    0    3 o  124.997   13.218  2475.42  491.381  2475.42  491.381  2475.42  491.381  124.997   13.218  124.997   13.218 0.000000 0.000000 
1 1 1   15    0    4 o   72.455   17.492  933.785  335.375  933.785  335.375  933.785  335.375   72.455   17.492   72.455   17.492 0.000000 0.000000 
1 1 1   15    0    5 o   93.817   3.7183  1350.11  106.094  1350.11  106.094  1350.11  106.094   93.817   3.7183   93.817   3.7183 0.000000 0.000000 
1 1 1   15    0    6 o  178.400   15.300  4997.15  819.028  4997.15  819.028  4997.15  819.028  178.400   15.300  178.400   15.300 0.000000 0.000000 
1 1 1   15    0    7 o  150.859   15.050  3599.05  677.149  3599.05  677.149  3599.05  677.149  150.859   15.050  150.859   15.050 0.000000 0.000000 
1 1 1   15    0    8 o  289.141   7.7555 12810.13  683.326 12810.13  683.326 12810.13  683.326  289.141   7.7555  289.141   7.7555 0.000000 0.000000 
1 1 1   15    0    9 o  133.628   8.6342  2765.38  348.785  2765.38  348.785  2765.38  348.785  133.628   8.6342  133.628   8.6342 0.000000 0.000000 
1 1 1   15    0   10 o  180.900   4.1727  5004.95  230.118  5004.95  230.118  5004.95  230.118  180.900   4.1727  180.900   4.1727 0.000000 0.000000 
1 1 1   15    0   11 o  591.058   13.051 53686.20  2351.88 53686.20  2351.88 53686.20  2351.88  591.058   13.051  591.058   13.051 0.000000 0.000000 
1 1 1   15    0   12 o  266.190   10.102 10896.24  818.052 10896.24  818.052 10896.24  818.052  266.190   10.102  266.190   10.102 0.000000 0.000000 
1 1 1   15    0   13 o  212.738   5.5031  6927.63  356.789  6927.63  356.789  6927.63  356.789  212.738   5.5031  212.738   5.5031 0.000000 0.000000 
1 1 1   15    0   14 o  381.530   13.416 22431.69  1557.95 22431.69  1557.95 22431.69  1557.95  381.530   13.416  381.530   13.416 0.000000 0.000000 
1 1 1   15    0   15 o  108.654   3.7020  1808.78  122.448  1808.78  122.448  1808.78  122.448  108.654   3.7020  108.654   3.7020 0.000000 0.000000 
1 1 1   15    0   16 o  223.018   5.9862  7616.25  406.820  7616.25  406.820  7616.25  406.820  223.018   5.9862  223.018   5.9862 0.000000 0.000000 
1 1 1   15    0   17 o   40.229   24.835  199.431  598.803  199.431  598.803  199.431  598.803   40.229   24.835   40.229   24.835 0.000000 0.000000 
1 1 1   15    0   18 f   47.414   6.4101  361.882   87.991  361.882   87.991  361.882   87.991   47.414   6.4101   47.414   6.4101 0.000000 0.000000 
1 1 1   15    0   19 o   91.183   4.2376  1277.88  117.356  1277.88  117.356  1277.88  117.356   91.183   4.2376   91.183   4.2376 0.000000 0.000000 
1 1 1   15    0   20 o  117.058   4.0233  2099.78  143.362  2099.78  143.362  2099.78  143.362  117.058   4.0233  117.058   4.0233 0.000000 0.000000 
1 1 1   15    0   21 f  168.111   6.0692  4335.62  310.497  4335.62  310.497  4335.62  310.497  168.111   6.0692  168.111   6.0692 0.000000 0.000000 
1 1 1   15    0   22 o  318.493   7.6385 15540.52  741.583 15540.52  741.583 15540.52  741.583  318.493   7.6385  318.493   7.6385 0.000000 0.000000 
1 1 1   15    0   23 o   29.642   9.6793  171.211   77.561  171.211   77.561  171.211   77.561   29.642   9.6793   29.642   9.6793 0.000000 0.000000 
1 1 1   15    0   24 o  117.985   4.5566  2135.55  163.535  2135.55  163.535  2135.55  163.535  117.985   4.5566  117.985   4.5566 0.000000 0.000000 
1 1 1   15    0   25 o  132.870   4.1349  2703.82  167.321  2703.82  167.321  2703.82  167.321  132.870   4.1349  132.870   4.1349 0.000000 0.000000 
1 1 1   15    0   26 f  112.195   3.7871  1928.64  129.354  1928.64  129.354  1928.64  129.354  112.195   3.7871  112.195   3.7871 0.000000 0.000000 
1 1 1   15    0   27 o   95.337   4.3688  1396.85  126.519  1396.85  126.519  1396.85  126.519   95.337   4.3688   95.337   4.3688 0.000000 0.000000 
1 1 1   15    0   28 o   16.389   9.8171   42.066   87.730   42.066   87.730   42.066   87.730   16.389   9.8171   16.389   9.8171 0.000000 0.000000 
1 1 1   15    0   29 o  461.845   19.831 33249.90  2783.70 33249.90  2783.70 33249.90  2783.70  461.845   19.831  461.845   19.831 0.000000 0.000000 
1 1 1   15    0   30 o   55.866   12.660  545.933  188.238  545.933  188.238  545.933  188.238   55.866   12.660   55.866   12.660 0.000000 0.000000 
1 1 1   15    0   31 o  195.456   6.9695  5864.73  414.582  5864.73  414.582  5864.73  414.582  195.456   6.9695  195.456   6.9695 0.000000 0.000000 
1 1 1   15    0   32 o  271.804   8.2698 11340.84  684.628 11340.84  684.628 11340.84  684.628  271.804   8.2698  271.804   8.2698 0.000000 0.000000 
1 1 1   15    0   34 o  107.021   11.052  1813.44  352.198  1813.44  352.198  1813.44  352.198  107.021   11.052  107.021   11.052 0.000000 0.000000 
1 1 1   15    0   35 o  128.134   5.2632  2521.96  205.052  2521.96  205.052  2521.96  205.052  128.134   5.2632  128.134   5.2632 0.000000 0.000000 
1 1 1   15    0   36 o   46.931   8.1063  365.800  105.726  365.800  105.726  365.800  105.726   46.931   8.1063   46.931   8.1063 0.000000 0.000000 
1 1 1   15    0   37 o  133.055   13.323  2809.73  528.613  2809.73  528.613  2809.73  528.613  133.055   13.323  133.055   13.323 0.000000 0.000000 
1 1 1   15    0   38 o   77.007   6.1905  924.604  143.342  924.604  143.342  924.604  143.342   77.007   6.1905   77.007   6.1905 0.000000 0.000000 
1 1 1   15    0   39 o  189.135   4.7077  5477.75  271.386  5477.75  271.386  5477.75  271.386  189.135   4.7077  189.135   4.7077 0.000000 0.000000 
1 1 1   15    0   40 o  213.348   5.8778  6980.40  382.099  6980.40  382.099  6980.40  382.099  213.348   5.8778  213.348   5.8778 0.000000 0.000000 
1 1 1   15    0   41 o   27.544   12.681  170.529  117.026  170.529  117.026  170.529  117.026   27.544   12.681   27.544   12.681 0.000000 0.000000 
1 1 1   15    0   42 o  225.169   5.9462  7778.79  408.019  7778.79  408.019  7778.79  408.019  225.169   5.9462  225.169   5.9462 0.000000 0.000000 
1 1 1   15    0   43 o  147.495   3.9871  3332.70  179.199  3332.70  179.199  3332.70  179.199  147.495   3.9871  147.495   3.9871 0.000000 0.000000 
1 1 1   15    0   44 o  151.022   5.9370  3510.64  272.708  3510.64  272.708  3510.64  272.708  151.022   5.9370  151.022   5.9370 0.000000 0.000000 
1 1 1   15    0   45 o   49.355   24.920  589.864  465.274  589.864  465.274  589.864  465.274   49.355   24.920   49.355   24.920 0.000000 0.000000 
1 1 1   15    0   46 o   22.930   7.3885  102.208   45.661  102.208   45.661  102.208   45.661   22.930   7.3885   22.930   7.3885 0.000000 0.000000 
1 1 1   15    0   47 o   17.650   11.946 -87.8688  190.197 -87.8688  190.197 -87.8688  190.197   17.650   11.946   17.650   11.946 0.000000 0.000000 
1 1 1   15    1    0 o  225.225   16.124  7918.84  1095.39  7918.84  1095.39  7918.84  1095.39  225.225   16.124  225.225   16.124 0.000000 0.000000 
1 1 1   15    1    1 o   58.804   5.8780  533.893  104.085  852.770  304.534  491.715  110.755   73.169   14.148   56.322   6.5660 16.84735 15.59732 
1 1 1   15    1    2 o  138.334   3.6258  2922.38  153.089  2922.30  157.683  2923.62  638.871  138.329   3.7347  136.712   15.589 1.617249 16.03036 
1 1 1   15    1    3 o  325.195   5.0745 16160.21  503.681 16240.43  520.729 14994.98  1984.68  325.987   5.2335  309.261   21.153 16.72681 21.79044 
1 1 1   15    1    4 o  170.788   8.4755  4467.92  441.814  4528.45  558.141  4366.35  723.025  171.423   10.721  167.685   14.262 3.738083 17.84252 
1 1 1   15    1    5 o   98.223   9.1472  1491.38  271.079  1622.00  368.140  1336.68  400.646  102.017   12.056   91.955   14.775 10.06239 19.06961 
1 1 1   15    1    6 o  355.409   5.6039 19308.79  607.903 19746.33  770.716 18588.42  988.922  359.245   7.0289  348.216   9.3046 11.02856 11.66105 
1 1 1   15    1    7 o  124.689   3.7961  2374.51  144.472  2459.01  212.110  2301.38  197.320  126.837   5.4790  122.711   5.2683 4.125351 7.600931 
1 1 1   15    1    8 o  336.376   7.4729 17319.07  767.237 16896.97  1511.82 17465.49  890.420  330.780   14.974  337.627   8.6405 -6.846649 17.28833 
1 1 1   15    1    9 o  288.091   5.3507 12685.71  470.502 12213.51  1139.33 12782.79  516.610  281.571   13.257  289.148   5.8536 -7.577393 14.49188 
1 1 1   15    1   10 o  352.468   5.9997 18996.58  645.455 19040.37  877.895 18945.06  952.255  352.582   8.1577  351.583   8.8738 0.9995422 12.05368 
1 1 1   15    1   11 o   81.240   3.2405  1007.82   80.353  911.534  130.319  1066.88  102.062   77.017   5.5816   83.574   4.0011 -6.556717 6.867511 
1 1 1   15    1   12 o   35.312   9.3349  198.044  102.140  175.114  192.383  207.044  120.531   36.913   13.326   36.295   10.366 0.6178169 16.88272 
1 1 1   15    1   13 o  363.884   4.9462 20235.45  549.349 20834.60  797.264 19693.84  758.016  368.964   7.0795  358.743   6.9227 10.22092 9.901682 
1 1 1   15    1   14 o  169.617   3.8048  4394.25  196.978  4421.48  289.614  4370.80  268.700  170.060   5.5796  169.102   5.2060 0.9580078 7.631080 
1 1 1   15    1   15 o  223.615   5.5100  7644.58  376.072  7502.89  1149.25  7661.57  397.983  219.176   17.320  223.840   5.8252 -4.663895 18.27373 
1 1 1   15    1   16 o  203.683   9.1441  6362.59  568.481  7181.18  1029.53  6003.54  681.852  214.788   15.815  197.268   11.373 17.51947 19.47984 
1 1 1   15    1   17 o  199.735   3.9342  6093.90  239.846  6155.99  325.068  6019.71  355.337  200.674   5.3072  198.403   5.8678 2.270828 7.911858 
1 1 1   15    1   18 o  104.941   3.7462  1682.08  119.994  1686.18  156.255  1676.20  187.336  105.038   4.8738  104.527   5.8959 0.5115128 7.649583 
1 1 1   15    1   19 o  144.695   3.6288  3197.72  160.264  3171.08  224.557  3225.38  228.799  144.034   5.1079  145.259   5.1605 -1.225464 7.260980 
1 1 1   15    1   20 o   65.160   6.0304  654.936  118.575  650.074  123.763  709.311  413.897   64.880   6.3304   66.667   19.260 -1.787292 20.27331 
1 1 1   15    1   21 o  239.200   5.0222  8745.58  366.667  8695.62  521.283  8794.50  515.851  238.323   7.1662  239.686   7.0512 -1.363297 10.05358 
1 1 1   15    1   22 o  166.178   3.5969  4217.80  182.441  4217.17  250.956  4218.51  265.696  166.106   4.9499  166.117   5.2403 -0.1104736E-01 7.208453 
1 1 1   15    1   23 o  141.007   2.7501  3035.79  118.359  3039.46  150.469  3029.85  191.685  141.071   3.4946  140.814   4.4599 0.2568970 5.665910 
1 1 1   15    1   24 o  229.814   3.2501  8065.45  227.978  7862.28  351.291  8213.28  299.650  226.792   5.0748  231.857   4.2343 -5.064194 6.609303 
1 1 1   15    1   25 o  328.355   5.2405 16482.86  525.215 16392.54  592.789 16812.63  1132.74  327.375   5.9325  330.593   11.226 -3.218414 12.69699 
1 1 1   15    1   26 o  166.781   3.1439  4247.70  160.040  4324.87  248.529  4193.03  209.184  168.215   4.8406  165.665   4.1370 2.550171 6.367526 
1 1 1   15    1   27 o  247.180   4.6395  9337.46  350.027  9354.17  362.361  9104.45  1353.10  247.389   4.7989  240.879   18.547 6.510132 19.15753 
1 1 1   15    1   28 o   24.609   6.8545   95.363   53.395   72.112   92.492  106.984   65.392   24.755   9.1896   26.207   7.6797 -1.452641 11.97609 
1 1 1   15    1   29 o  204.960   9.3066  6449.31  582.203  6374.39  679.525  6656.11  1128.99  203.238   10.995  205.766   18.163 -2.528259 21.23157 
1 1 1   15    1   30 o   84.018   4.7742  1082.52  121.926  1081.81  123.552  1108.94  753.995   83.985   4.8403   83.430   26.414 0.5552597 26.85419 
1 1 1   15    1   31 o   96.692   4.7340  1429.19  139.712  1437.18  181.352  1417.52  219.131   96.711   6.1759   95.881   7.5489 0.8301544 9.753321 
1 1 1   15    1   32 o  267.393   7.0512 10953.46  575.477 10953.46  575.477   0.0000   0.0000  267.393   7.0512  ?   ?  0.000000 7.051159 
1 1 1   15    1   33 o  113.613   5.3150  1974.40  184.310  2042.50  383.163  1953.90  210.229  114.600   11.093  112.814   6.1283 1.785019 12.67335 
1 1 1   15    1   34 o  345.796   6.6639 18317.31  703.342 18232.52  2250.21 18326.49  740.442  338.187   21.918  345.812   7.0151 -7.624664 23.01287 
1 1 1   15    1   35 o  290.995   4.3441 12944.71  385.839 13581.80  622.936 12548.16  491.462  297.694   6.8558  286.339   5.6233 11.35516 8.866961 
1 1 1   15    1   36 o  168.659   3.3279  4345.76  171.316  4395.74  220.016  4268.79  273.035  169.570   4.2510  167.019   5.3559 2.550797 6.837887 
1 1 1   15    1   37 o  226.347   5.1930  7840.19  358.763  7992.40  428.102  7481.14  657.526  228.409   6.1407  220.338   9.7770 8.071350 11.54549 
1 1 1   15    1   38 f   19.441   7.3662   41.135   60.071  152.180  102.833 -16.3884   74.012   31.462   9.7241   17.104   7.4762 14.35719 12.26588 
1 1 1   15    1   39 o   53.764   3.2438  443.290   52.981  461.764  141.272  440.267   57.153   54.071   8.8675   53.557   3.5157 0.5134430 9.539048 
1 1 1   15    1   40 o  147.670   4.1190  3335.15  185.653  3302.79  284.707  3359.08  244.877  146.732   6.3571  148.082   5.4179 -1.349609 8.352572 
1 1 1   15    1   41 o   67.860   3.8046  706.396   78.485  937.076  177.821  650.586   87.465   77.684   7.5968   65.052   4.4315 12.63145 8.794813 
1 1 1   15    1   42 o  193.354   4.0863  5720.25  241.158  5620.02  364.697  5798.13  321.474  191.322   6.2452  194.475   5.4158 -3.153107 8.266449 
1 1 1   15    1   43 o  139.145   2.7161  2958.53  115.355  3021.54  139.162  2820.15  206.228  140.581   3.2432  135.649   4.9810 4.932465 5.943781 
1 1 1   15    1   44 o   55.507   3.6324  473.386   61.200  529.212  209.737  468.190   63.984   57.012   12.406   55.180   3.8226 1.831680 12.98109 
1 1 1   15    1   45 o  146.514   3.7388  3285.67  167.195  3158.16  238.251  3409.40  234.688  143.407   5.4431  149.050   5.1587 -5.642197 7.499330 
1 1 1   15    1   46 o  267.352   5.2897 10978.67  431.648 11019.76  611.719 10937.93  609.174  266.985   7.5067  265.994   7.5033 0.9915771 10.61367 
1 1 1   15    1   47 o  142.300   4.9931  3109.59  216.865   0.0000   0.0000  3109.59  216.865  ?   ?   142.300   4.9931 0.000000 4.993056 
1 1 1   15    2    0 o  198.342   6.4484  6030.21  389.444  6030.21  389.444  6030.21  389.444  198.342   6.4484  198.342   6.4484 0.000000 0.000000 
1 1 1   15    2    1 o  429.535   15.124 28488.00  1982.82 27996.87  2428.78 29469.46  3433.40  424.496   18.746  431.171   26.213 -6.675262 32.22635 
1 1 1   15    2    2 o  305.511   5.7106 14268.21  532.508 14482.05  697.601 13969.61  824.320  307.613   7.4299  301.929   8.9449 5.683746 11.62818 
1 1 1   15    2    3 o  183.557   5.9068  5151.24  330.934  5151.24  330.934   0.0000   0.0000  183.557   5.9068  ?   ?  0.000000 5.906820 
1 1 1   15    2    4 o  102.613   5.3190  1613.56  166.018  1527.74  175.056  2380.82  523.431   99.801   5.7714  123.482   14.143 -23.68088 15.27529 
1 1 1   15    2    5 o  167.459   5.1180  4285.46  261.593  4368.34  283.514  3810.82  678.464  169.053   5.4946  156.544   14.360 12.50896 15.37492 
1 1 1   15    2    6 o  209.417   3.3158  6696.72  211.943  6909.63  245.715  6077.95  418.887  212.701   3.7848  199.317   6.8855 13.38454 7.857155 
1 1 1   15    2    7 o  110.242   4.5188  1856.73  152.049  1797.69  171.651  2071.87  327.651  108.456   5.1853  115.877   9.3433 -7.421234 10.68577 
1 1 1   15    2    8 o  341.741   7.3578 17874.74  767.468 17839.43  1523.37 17886.74  888.456  339.941   14.682  341.688   8.5190 -1.746490 16.97451 
1 1 1   15    2    9 o   94.047   4.9808  1355.40  142.466  1324.74  150.908  1606.60  432.007   92.944   5.3420  101.055   14.415 -8.110558 15.37257 
1 1 1   15    2   10 o  282.127   5.6587 12168.51  487.280 11651.78  721.534 12601.79  660.713  275.759   8.5725  286.911   7.5448 -11.15121 11.41985 
1 1 1   15    2   11 o  354.502   6.5901 19225.19  713.066 19077.73  782.229 19950.19  1734.46  353.050   7.2591  359.073   15.826 -6.023468 17.41116 
1 1 1   15    2   12 o  510.552   8.4652 39940.52  1319.16 40402.61  1945.75 39547.46  1794.55  512.305   12.443  507.144   11.593 5.161713 17.00720 
1 1 1   15    2   13 o   61.546   5.7798  584.260  107.303  590.436  122.593  564.031  221.874   61.774   6.6042   59.418   12.623 2.356030 14.24669 
1 1 1   15    2   14 o   85.881   4.2002  1126.74  110.099  1107.62  256.861  1131.04  121.861   84.339   10.184   85.908   4.6649 -1.568779 11.20189 
1 1 1   15    2   15 o  268.731   4.1519 11032.19  340.548 10515.71  570.872 11317.52  424.316  262.107   7.1358  272.114   5.1088 -10.00647 8.776091 
1 1 1   15    2   16 o  231.489   4.1133  8186.23  290.627  7532.85  421.260  8779.67  401.471  221.916   6.2193  239.639   5.4888 -17.72316 8.295029 
1 1 1   15    2   17 o  309.790   6.3207 14681.26  597.653 14449.67  634.491 16503.72  1779.90  307.284   6.7650  325.233   18.000 -17.94879 19.22954 
1 1 1   15    2   18 o  165.361   5.1108  4179.63  257.952  4165.53  268.333  4351.31  936.438  165.070   5.3258  166.094   18.803 -1.024139 19.54264 
1 1 1   15    2   19 o   97.745   3.5956  1459.23  107.273  1517.26  150.502  1399.30  152.941   99.635   4.9490   95.529   5.2656 4.105247 7.226290 
1 1 1   15    2   20 o   78.737   3.5105  946.831   84.365  817.146  116.165  1091.57  122.724   72.924   5.2543   84.378   4.7849 -11.45493 7.106503 
1 1 1   15    2   21 o   57.134   5.2847  503.276   91.114  511.279   94.817  406.779  329.232   57.570   5.4614   52.520   17.517 5.050438 18.34909 
1 1 1   15    2   22 o  419.605   6.0787 26932.06  778.511 25887.05  1205.50 27679.69  1019.65  410.673   9.6173  425.060   7.8593 -14.38736 12.42022 
1 1 1   15    2   23 o  320.906   8.1573 15781.60  798.992 15571.70  969.421 16226.21  1410.88  318.437   9.9740  324.012   14.266 -5.574799 17.40717 
1 1 1   15    2   24 o  207.837   3.1171  6596.29  197.739  6539.09  265.206  6667.91  296.733  206.882   4.1999  208.884   4.6542 -2.001434 6.269052 
1 1 1   15    2   25 o   66.485   4.1371  677.920   83.536  664.149  114.059  693.854  122.689   65.650   5.7501   67.078   6.0579 -1.428078 8.352363 
1 1 1   15    2   26 o   60.003   4.6852  553.580   85.126  530.277   98.321  623.348  170.122   58.626   5.5612   63.104   9.0952 -4.477936 10.66068 
1 1 1   15    2   27 o  248.132   5.4113  9414.38  409.830  9491.15  461.221  9126.36  893.403  249.080   6.0667  243.385   12.026 5.695587 13.46998 
1 1 1   15    2   28 o  169.698   3.9628  4399.48  205.258  4672.27  286.716  4112.71  293.976  174.802   5.3739  163.970   5.8740 10.83208 7.961278 
1 1 1   15    2   29 o  361.512   7.4366 20021.61  820.567 19158.03  1628.03 20315.71  950.073  351.505   15.174  363.932   8.5530 -12.42703 17.41890 
1 1 1   15    2   30 o  345.756   5.9977 18291.47  632.954 18114.40  688.362 19260.39  1610.26  343.992   6.5562  352.427   14.970 -8.435211 16.34236 
1 1 1   15    2   31 f  307.067   4.5469 14412.01  426.153 14187.04  717.918 14534.41  529.538  304.218   7.7317  308.242   5.6284 -4.023926 9.563355 
1 1 1   15    2   32 o  337.131   6.3759 17400.34  656.080 18025.01  890.040 16657.01  970.897  342.707   8.5088  329.179   9.6633 13.52869 12.87552 
1 1 1   15    2   33 o  246.542   5.7894  9301.50  435.654   0.0000   0.0000  9301.50  435.654  ?   ?   246.542   5.7894 0.000000 5.789420 
1 1 1   15    2   34 o  255.216   4.6131  9958.51  359.349 10534.69  554.718  9541.87  471.707  262.194   6.9316  249.638   6.1908 12.55682 9.293677 
1 1 1   15    2   35 o  159.595   3.8146  3892.24  185.819  3990.38  486.125  3875.45  201.089  160.679   9.9613  159.232   4.1375 1.446960 10.78646 
1 1 1   15    2   36 o  275.567   4.2294 11608.83  355.734 11515.55  455.661 11754.41  569.256  274.303   5.4425  276.923   6.7349 -2.620850 8.659056 
1 1 1   15    2   37 o  167.683   4.7889  4301.20  245.098  4670.97  525.003  4198.15  277.155  173.792   9.9385  165.602   5.4833 8.190140 11.35080 
1 1 1   15    2   38 f  144.628   2.5996  3194.62  114.757  3219.66  184.854  3178.92  146.379  145.109   4.1737  144.238   3.3249 0.8703613 5.336158 
1 1 1   15    2   39 o  197.156   4.2389  5944.78  255.081  6163.38  692.424  5910.46  274.377  199.099   11.442  196.551   4.5736 2.548203 12.32252 
1 1 1   15    2   40 o  195.141   8.8545  5870.64  527.384  5989.92  675.126  5683.90  844.726  196.176   11.323  189.822   14.694 6.354462 18.55099 
1 1 1   15    2   41 o   68.241   8.0466  726.893  164.378  785.300  240.288  675.517  225.361   70.184   11.624   64.937   11.805 5.247269 16.56729 
1 1 1   15    2   42 o   43.379   4.9518  291.993   64.389  326.809  117.566  277.076   76.956   45.244   8.8304   42.043   6.1816 3.200867 10.77906 
1 1 1   15    2   43 o  173.836   3.9604  4624.40  210.132  4694.12  231.605  4299.88  499.706  175.094   4.3337  166.156   9.8982 8.937897 10.80532 
1 1 1   15    2   44 o  180.459   3.4237  4981.17  188.580  5645.70  342.498  4692.06  225.907  191.703   5.8535  175.040   4.2284 16.66292 7.220960 
1 1 1   15    2   45 o   18.594   7.5297   22.617   66.405 -44.4898  127.778   47.447   77.726   21.655   9.6288   21.581   8.3289 0.7434273E-01 12.73121 
1 1 1   15    2   46 o  110.871   9.3181  1926.56  312.402   0.0000   0.0000  1926.56  312.402  ?   ?   110.871   9.3181 0.000000 9.318069 
1 1 1   15    2   47 o  126.066   3.6569  2433.61  140.709   0.0000   0.0000  2433.61  140.709  ?   ?   126.066   3.6569 0.000000 3.656855 
1 1 1   15    3    0 o   80.226   3.6901  988.874   89.924  988.874   89.924  988.874   89.924   80.226   3.6901   80.226   3.6901 0.000000 0.000000 
1 1 1   15    3    1 o  214.479   3.7855  7025.56  247.815  7527.89  306.250  6072.73  421.782  221.979   4.5201  199.230   6.9361 22.74913 8.278955 
1 1 1   15    3    2 o  392.324   7.3077 23555.20  875.067 25856.28  1239.96 21272.08  1235.11  410.564   9.8949  372.198   10.872 38.36621 14.70077 
1 1 1   15    3    3 o  500.837   7.9162 38406.58  1210.13 38635.27  1483.03 37950.93  2093.39  501.919   9.6806  496.195   13.822 5.723877 16.87511 
1 1 1   15    3    4 o   83.531   6.3657  1073.28  161.076  1073.28  161.076   0.0000   0.0000   83.531   6.3657  ?   ?  0.000000 6.365711 
1 1 1   15    3    5 o  126.510   4.9572  2445.71  191.416  2445.71  191.416   0.0000   0.0000  126.510   4.9572  ?   ?  0.000000 4.957184 
1 1 1   15    3    6 o  378.179   6.0281 21868.76  695.816 21868.76  695.816   0.0000   0.0000  378.179   6.0281  ?   ?  0.000000 6.028085 
1 1 1   15    3    7 o  247.887   5.9122  9395.28  447.319  8615.25  474.747 15566.66  1335.36  237.323   6.5540  317.761   13.768 -80.43828 15.24863 
1 1 1   15    3    8 o  337.423   5.3925 17402.87  555.374 17563.21  905.761 17306.28  703.040  338.535   8.7658  336.322   6.8487 2.212952 11.12403 
1 1 1   15    3    9 o  229.228   6.0483  8035.12  423.169  7970.41  1190.17  8044.48  452.754  226.030   17.385  229.328   6.4683 -3.298248 18.54911 
1 1 1   15    3   10 o  298.460   8.0769 13643.60  735.775 13563.59  808.843 14027.38  1771.48  297.467   8.9086  299.440   19.489 -1.972717 21.42828 
1 1 1   15    3   11 o  291.601   5.3873 12997.86  479.486 13198.10  650.638 12759.86  709.350  293.643   7.2594  288.629   8.0520 5.014465 10.84131 
1 1 1   15    3   12 o  149.742   4.2879  3425.53  195.979  3014.77  345.286  3620.75  238.036  140.056   8.1119  153.918   5.0668 -13.86122 9.564300 
1 1 1   15    3   13 o  150.642   3.7142  3465.97  170.775  3277.98  443.751  3498.66  185.026  145.796   10.033  151.341   4.0055 -5.544891 10.80296 
1 1 1   15    3   14 f  189.539   3.3888  5486.26  196.049  5412.61  326.480  5527.80  245.176  188.148   5.6851  190.220   4.2228 -2.071960 7.081868 
1 1 1   15    3   15 o  241.223   4.6254  8891.48  340.552  8555.40  476.458  9242.52  486.938  236.465   6.6015  245.788   6.4908 -9.322891 9.257926 
1 1 1   15    3   16 o  272.173   6.1922 11331.16  514.405 11475.40  890.367 11258.89  630.230  273.284   10.674  271.145   7.6152 2.139038 13.11223 
1 1 1   15    3   17 o  196.285   4.5334  5887.09  271.599  5876.56  280.780  6040.25  1070.81  196.101   4.6911  196.232   18.082 -0.1315918 18.68030 
1 1 1   15    3   18 o   85.866   5.9618  1133.03  155.279  1133.03  155.279   0.0000   0.0000   85.866   5.9618  ?   ?  0.000000 5.961801 
1 1 1   15    3   19 o  196.706   4.3653  5911.96  262.089  6383.21  346.456  5281.48  400.740  204.321   5.5554  185.745   7.0685 18.57613 8.990362 
1 1 1   15    3   20 o  296.922   5.5098 13480.01  499.343 14153.80  678.513 12683.91  737.527  304.035   7.3117  287.664   8.3999 16.37186 11.13641 
1 1 1   15    3   21 o  169.601   3.6092  4393.36  186.835  4370.61  265.634  4415.63  262.839  169.090   5.1469  169.963   5.0666 -0.8729553 7.222283 
1 1 1   15    3   22 o   31.257   6.9509  155.442   64.599  184.548  144.566  148.181   72.209   35.369   11.599   30.518   7.7404 4.850927 13.94451 
1 1 1   15    3   23 o  250.263   3.8100  9567.01  291.032  9729.67  371.702  9309.33  467.855  252.311   4.8266  246.682   6.2138 5.629257 7.868109 
1 1 1   15    3   24 o  126.354   2.4916  2437.44   96.091  2480.49  130.852  2387.05  141.567  127.444   3.3639  125.011   3.7102 2.433182 5.008149 
1 1 1   15    3   25 o  423.325   8.6559 27480.32  1118.42 27354.07  1184.63 28516.02  3392.98  422.222   9.1923  422.148   26.467 0.7418823E-01 28.01764 
1 1 1   15    3   26 o  216.094   3.1803  7131.16  209.763  6847.62  296.224  7416.35  297.077  211.680   4.5848  220.305   4.4180 -8.626022 6.367070 
1 1 1   15    3   27 o  242.656   4.2468  8996.83  314.536  8702.75  462.207  9250.47  429.262  238.480   6.3499  245.932   5.7186 -7.452301 8.545378 
1 1 1   15    3   28 o  207.423   4.1707  6573.83  264.049  6425.26  367.651  6732.12  379.474  204.946   5.8773  209.779   5.9266 -4.832672 8.346679 
1 1 1   15    3   29 o  389.357   7.2977 23222.44  867.263 23025.25  1356.33 23358.82  1127.99  386.633   11.493  389.999   9.4760 -3.366364 14.89606 
1 1 1   15    3   30 o  234.110   5.9295  8385.68  423.698  8162.22  484.408  9113.32  874.118  230.868   6.8743  243.143   11.779 -12.27429 13.63784 
1 1 1   15    3   31 o   32.844   10.137  165.455  111.798  126.335  159.872  202.893  156.398   32.553   12.082   36.947   12.062 -4.394203 17.07241 
1 1 1   15    3   32 o  497.121   7.6180 37887.89  1155.90 38005.18  1466.34 37695.37  1878.58  497.199   9.6625  493.970   12.460 3.229218 15.76738 
1 1 1   15    3   33 o  221.990   4.3268  7532.32  293.171  7158.37  452.984  7801.85  384.577  216.156   6.8659  225.811   5.5798 -9.655701 8.847350 
1 1 1   15    3   34 o   85.816   3.7757  1125.30   98.898  1108.94  135.953  1143.67  144.131   84.978   5.2676   86.280   5.5018 -1.301666 7.616861 
1 1 1   15    3   35 o  100.559   3.5981  1545.08  110.436  1564.66  161.960  1528.06  150.978  100.989   5.2726   99.951   4.9489 1.037659 7.231350 
1 1 1   15    3   36 o   46.061   3.4940  326.034   48.756  180.598  113.730  358.782   53.967   34.037   10.168   48.314   3.6875 -14.27722 10.81561 
1 1 1   15    3   37 o  414.660   7.0014 26375.50  886.122 25490.04  1303.46 27136.35  1208.28  406.340   10.510  419.725   9.4316 -13.38504 14.12123 
1 1 1   15    3   38 o  269.638   3.8916 11114.50  320.276 10876.64  466.425 11326.72  440.559  266.471   5.7348  272.001   5.3066 -5.529755 7.813292 
1 1 1   15    3   39 o   48.513   3.6981  361.850   54.346  249.423  170.595  374.549   57.334   40.165   12.543   49.348   3.8366 -9.182930 13.11658 
1 1 1   15    3   40 o  177.302   5.2515  4815.07  284.193  4908.94  312.142  4360.20  687.135  178.961   5.7145  166.464   13.644 12.49750 14.79226 
1 1 1   15    3   41 o   43.756   6.7831  300.951   87.658  349.847  124.933  253.538  123.023   46.826   9.0689   39.710   10.120 7.115707 13.58931 
1 1 1   15    3   42 o  224.758   3.7409  7726.76  256.628  8532.91  417.083  7235.64  325.546  235.819   5.7946  217.320   4.9079 18.49876 7.593756 
1 1 1   15    3   43 o  143.308   3.6147  3141.54  158.108  3752.39  549.900  3086.50  165.079  154.489   11.750  142.028   3.8080 12.46057 12.35165 
1 1 1   15    3   44 o  139.104   9.3391  3016.88  394.214   0.0000   0.0000  3016.88  394.214  ?   ?   139.104   9.3391 0.000000 9.339061 
1 1 1   15    3   45 o   46.895   7.1038  346.705   98.496   0.0000   0.0000  346.705   98.496  ?   ?    46.895   7.1038 0.000000 7.103773 
1 1 1   15    3   46 o  169.048   6.0345  4399.06  311.366   0.0000   0.0000  4399.06  311.366  ?   ?   169.048   6.0345 0.000000 6.034514 
1 1 1   15    3   47 o   72.975   18.738  918.024  419.519   0.0000   0.0000  918.024  419.519  ?   ?    72.975   18.738 0.000000 18.73799 
1 1 1   15    4    0 o  218.153   7.0140  7296.46  465.932  7296.46  465.932  7296.46  465.932  218.153   7.0140  218.153   7.0140 0.000000 0.000000 
1 1 1   15    4    1 o  315.730   5.2510 15235.50  506.031 15649.35  877.838 15029.53  619.277  319.536   9.0007  313.470   6.4725 6.066589 11.08631 
1 1 1   15    4    2 o  363.584   5.7586 20209.93  639.060 19473.04  808.818 21434.34  1042.59  356.685   7.4293  373.936   9.1348 -17.25085 11.77450 
1 1 1   15    4    3 o  384.636   8.8634 22672.96  1040.56 22417.19  1115.14 24395.67  2894.08  382.330   9.5559  393.008   24.245 -10.67734 26.06005 
1 1 1   15    4    4 o  135.456   3.7008  2802.21  153.005  2802.21  153.005   0.0000   0.0000  135.456   3.7008  ?   ?  0.000000 3.700758 
1 1 1   15    4    5 o  185.182   4.1629  5238.30  235.294  5238.30  235.294   0.0000   0.0000  185.182   4.1629  ?   ?  0.000000 4.162898 
1 1 1   15    4    6 o   71.562   4.5058  785.507   97.916  785.507   97.916   0.0000   0.0000   71.562   4.5058  ?   ?  0.000000 4.505808 
1 1 1   15    4    7 o  258.690   5.5795 10230.29  440.546 10230.29  440.546   0.0000   0.0000  258.690   5.5795  ?   ?  0.000000 5.579488 
1 1 1   15    4    8 o  130.661   4.0548  2607.78  161.707  2607.78  161.707   0.0000   0.0000  130.661   4.0548  ?   ?  0.000000 4.054780 
1 1 1   15    4    9 o   57.050   5.1970  501.563   89.504  456.045  606.896  502.575   90.493   62.155   23.446   57.102   5.2510 5.053288 24.02709 
1 1 1   15    4   10 f  407.136   7.5640 25378.72  939.959 24963.31  1270.66 25880.78  1396.89  403.230   10.324  410.368   11.153 -7.137909 15.19769 
1 1 1   15    4   11 o  287.279   10.527 12674.78  923.089 12796.89  1131.43 12431.69  1596.35  288.213   12.862  282.039   18.649 6.173523 22.65426 
1 1 1   15    4   12 o  429.091   9.8028 28254.88  1283.85 28784.31  2363.98 28033.41  1528.99  430.279   18.000  426.895   11.735 3.384277 21.48734 
1 1 1   15    4   13 o  494.299   8.4480 37443.67  1274.57 38174.93  1722.85 36559.57  1894.36  498.276   11.328  487.139   12.741 11.13712 17.04853 
1 1 1   15    4   14 o  101.649   3.2725  1577.86  101.532  1802.96  138.505  1316.39  149.275  108.636   4.1771   92.647   5.3009 15.98943 6.748850 
1 1 1   15    4   15 f  375.785   11.704 21727.90  1342.44 22135.70  1895.88 21317.84  1901.13  377.801   16.441  370.623   16.806 7.177612 23.51059 
1 1 1   15    4   16 o   97.020   3.1120  1437.36   92.154  1397.44  116.360  1504.53  150.935   95.645   3.9859   99.089   5.0068 -3.443581 6.399581 
1 1 1   15    4   17 o   28.627   10.206  107.485  112.491  107.485  112.491   0.0000   0.0000   28.627   10.206  ?   ?  0.000000 10.20620 
1 1 1   15    4   18 f  219.126   6.1633  7344.96  412.217  7344.96  412.217   0.0000   0.0000  219.126   6.1633  ?   ?  0.000000 6.163332 
1 1 1   15    4   19 o  273.205   5.7468 11414.42  479.219 11212.09  538.654 12182.46  1049.48  270.693   6.5195  281.234   12.226 -10.54086 13.85582 
1 1 1   15    4   20 o   12.397   5.7898 -53.1863   54.146 -26.9611   78.557 -76.9213   74.734   17.146   7.5901   14.422   6.7571 2.723988 10.16209 
1 1 1   15    4   21 o  231.528   4.9800  8193.50  351.923  8060.19  1232.97  8205.32  367.198  226.865   17.953  231.679   5.1927 -4.814453 18.68867 
1 1 1   15    4   22 o  346.379   7.3707 18372.76  779.252 18626.51  988.871 17957.03  1265.75  348.412   9.2989  341.441   12.145 6.970886 15.29644 
1 1 1   15    4   23 o  284.157   4.0640 12335.56  352.476 12200.09  510.717 12458.77  487.075  282.426   5.9246  285.439   5.5907 -3.013123 8.145953 
1 1 1   15    4   24 o  129.055   3.7444  2544.04  147.495  2558.67  486.018  2542.56  154.795  128.239   12.579  129.011   3.9311 -0.7719116 13.17881 
1 1 1   15    4   25 o   73.419   5.8045  829.537  129.012  909.224  154.125  643.006  235.806   76.792   6.6410   63.495   12.612 13.29710 14.25364 
1 1 1   15    4   26 o  241.547   4.7594  8917.47  350.894  9367.99  516.396  8531.01  478.271  247.377   6.8392  236.089   6.6372 11.28827 9.530318 
1 1 1   15    4   27 o  219.748   4.6794  7380.41  313.857  7908.43  488.863  7010.15  409.364  227.261   7.0477  214.040   6.2661 13.22066 9.430481 
1 1 1   15    4   28 o  217.314   4.5973  7217.69  304.932  7779.85  1176.84  7177.23  315.714  222.802   17.445  216.691   4.7735 6.110840 18.08603 
1 1 1   15    4   29 o  228.866   6.1626  8015.46  430.487  8565.74  905.172  7854.62  489.374  235.238   12.653  226.459   7.0800 8.778763 14.49944 
1 1 1   15    4   30 o  299.887   5.7649 13758.57  527.674 13836.79  555.976 13048.47  1675.21  300.700   6.0577  287.915   19.172 12.78448 20.10671 
1 1 1   15    4   31 o  145.821   3.7345  3248.57  166.213  3211.77  257.477  3274.87  217.636  144.880   5.8225  146.354   4.8720 -1.473724 7.591991 
1 1 1   15    4   32 o  201.435   3.3699  6198.08  207.189  6353.07  269.131  5972.58  324.629  203.878   4.3249  197.597   5.3826 6.281174 6.904857 
1 1 1   15    4   33 o  273.149   5.0601 11411.13  421.868 12005.02  652.971 10985.62  552.707  279.778   7.6465  267.780   6.7624 11.99808 10.20780 
1 1 1   15    4   34 o  176.376   3.2117  4751.91  172.898  5028.81  311.646  4628.78  207.812  181.269   5.6328  174.038   3.9121 7.231461 6.858021 
1 1 1   15    4   35 o   94.146   3.4268  1354.17   98.470  1289.66  144.794  1409.69  134.312   91.664   5.1967   96.014   4.5831 -4.350609 6.928972 
1 1 1   15    4   36 o  353.893   4.7006 19155.71  507.741 19356.45  900.266 19062.08  614.861  354.905   8.3108  352.841   5.7093 2.063904 10.08291 
1 1 1   15    4   37 o   95.734   3.5280  1400.56  103.090  1486.10  133.595  1274.64  162.082   98.575   4.4402   91.035   5.8645 7.540901 7.355780 
1 1 1   15    4   38 o  153.579   3.8289  3605.71  179.482  3774.33  288.987  3499.83  229.003  156.932   6.0332  151.220   4.9615 5.711182 7.811318 
1 1 1   15    4   39 o   90.825   2.9237  1260.27   81.049  1182.66  163.067  1285.73   93.403   87.612   6.1367   91.723   3.3363 -4.110802 6.985019 
1 1 1   15    4   40 o   88.402   4.1302  1195.46  111.442  1329.91  157.720  1061.40  157.485   92.986   5.5830   82.940   6.2673 10.04658 8.393349 
1 1 1   15    4   41 o  149.262   3.4238  3406.07  155.981  3511.36  185.650  3153.33  287.635  151.501   4.0148  143.277   6.5773 8.224548 7.705824 
1 1 1   15    4   42 o   78.502   4.0653  945.596   97.073  797.422  146.100  1062.71  129.889   71.701   6.7555   83.106   5.1459 -11.40493 8.492194 
1 1 1   15    4   43 o  185.610   4.4385  5276.88  251.453  4905.43  345.771  5693.84  366.336  178.619   6.3422  192.462   6.2362 -13.84306 8.894587 
1 1 1   15    4   44 o  117.681   15.408  2247.75  540.138   0.0000   0.0000  2247.75  540.138  ?   ?   117.681   15.408 0.000000 15.40778 
1 1 1   15    4   45 o   66.140   5.1622  675.597  103.386   0.0000   0.0000  675.597  103.386  ?   ?    66.140   5.1622 0.000000 5.162200 
1 1 1   15    4   46 f   71.810   3.4270  789.219   75.113   0.0000   0.0000  789.219   75.113  ?   ?    71.810   3.4270 0.000000 3.427025 
1 1 1   15    4   47 o  109.215   4.7072  1831.01  156.915   0.0000   0.0000  1831.01  156.915  ?   ?   109.215   4.7072 0.000000 4.707228 
1 1 1   15    5    0 o  501.957   31.665 40117.18  4807.05 40117.18  4807.05 40117.18  4807.05  501.957   31.665  501.957   31.665 0.000000 0.000000 
1 1 1   15    5    1 o  229.547   5.1278  8052.89  359.270  6560.53  1064.70  8244.65  381.655  205.008   17.174  232.247   5.3840 -27.23817 17.99772 
1 1 1   15    5    2 o  393.472   7.1432 23693.32  857.881 23651.72  1210.93 23735.24  1215.54  392.580   10.106  393.268   10.127 -0.6879883 14.30650 
1 1 1   15    5    3 o  265.568   5.1400 10778.75  416.633 10954.29  546.911 10536.00  643.129  267.587   6.6963  262.287   8.0335 5.299927 10.45837 
1 1 1   15    5    4 o  218.266   5.2961  7281.65  352.822  7046.85  395.727  8191.74  779.088  214.668   6.0396  230.907   11.054 -16.23883 12.59664 
1 1 1   15    5    5 o  251.560   10.076  9711.95  773.684  9711.95  773.684   0.0000   0.0000  251.560   10.076  ?   ?  0.000000 10.07640 
1 1 1   15    5    6 o  142.411   11.039  3134.44  476.071  3134.44  476.071   0.0000   0.0000  142.411   11.039  ?   ?  0.000000 11.03871 
1 1 1   15    5    7 o  110.867   3.8021  1877.34  128.661  1816.23  183.546  1936.39  180.404  108.857   5.5426  112.555   5.2512 -3.698318 7.635150 
1 1 1   15    5    8 f  302.083   4.9009 13945.37  451.873 14483.99  741.253 13626.83  570.040  307.528   7.8971  298.485   6.2570 9.042694 10.07539 
1 1 1   15    5    9 o  157.824   3.7893  3804.44  182.536  3684.73  264.206  3913.76  252.484  155.247   5.5757  160.019   5.1695 -4.772110 7.603430 
1 1 1   15    5   10 o  370.479   9.1717 21048.54  1037.12 19876.98  2478.72 21297.17  1141.88  354.829   23.011  372.482   10.044 -17.65289 25.10765 
1 1 1   15    5   11 f  506.632   11.213 39459.21  1733.86 39336.47  3184.50 39510.93  2067.11  501.398   20.809  506.183   13.379 -4.784393 24.73876 
1 1 1   15    5   12 o  474.689   15.613 34882.61  2262.03 33703.76  2769.21 37246.48  3921.38  464.745   19.522  483.327   26.685 -18.58112 33.06347 
1 1 1   15    5   13 o  374.171   7.8385 21444.46  895.203 21182.08  959.139 23217.99  2493.64  371.764   8.4527  384.319   21.342 -12.55429 22.95506 
1 1 1   15    5   14 o  177.060   4.9500  4791.47  267.511  4762.15  286.712  4988.66  743.491  176.497   5.3222  179.286   13.690 -2.788361 14.68832 
1 1 1   15    5   15 o  251.337   4.4260  9651.99  339.534  9550.34  418.147  9848.73  581.732  249.931   5.4814  253.602   7.5154 -3.670944 9.302025 
1 1 1   15    5   16 f  201.888   4.0599  6226.55  250.172  6127.17  333.155  6355.04  378.820  200.189   5.4524  203.832   6.0890 -3.642700 8.173390 
1 1 1   15    5   17 o  197.290   6.1803  5954.21  372.162  5954.21  372.162   0.0000   0.0000  197.290   6.1803  ?   ?  0.000000 6.180296 
1 1 1   15    5   18 o  121.239   5.5105  2247.47  203.915  2230.47  210.358  2512.18  830.227  120.772   5.7066  124.556   22.673 -3.784431 23.38052 
1 1 1   15    5   19 o  381.441   7.1501 22275.72  832.444 22284.99  872.367 22181.26  2783.59  381.461   7.4926  373.533   24.552 7.927673 25.66972 
1 1 1   15    5   20 o  162.974   3.8903  4057.31  193.518  3895.32  524.418  4082.85  208.212  158.807   10.885  163.475   4.1729 -4.667145 11.65722 
1 1 1   15    5   21 o  192.635   4.4934  5670.36  264.196  6289.98  987.523  5622.59  274.190  200.723   16.258  191.811   4.6834 8.911667 16.91960 
1 1 1   15    5   22 f  186.946   3.9858  5338.98  227.431  5447.62  357.451  5265.08  294.799  188.703   6.2061  185.582   5.2044 3.121155 8.099512 
1 1 1   15    5   23 o  123.007   3.3947  2310.82  127.453  2249.89  162.276  2408.91  205.908  121.344   4.3814  125.521   5.3745 -4.176323 6.934151 
1 1 1   15    5   24 o  179.833   6.7437  4950.00  370.154  5173.66  618.748  4825.34  461.927  183.059   11.127  177.398   8.5312 5.661087 14.02094 
1 1 1   15    5   25 o  101.259   3.6923  1566.20  114.116  1345.44  208.214  1660.98  136.432   93.441   7.3602  104.262   4.2872 -10.82159 8.517747 
1 1 1   15    5   26 o  175.965   4.1444  4730.88  222.591  4518.47  319.319  4931.66  310.450  171.855   6.0876  179.570   5.6642 -7.715790 8.315177 
1 1 1   15    5   27 o  137.794   4.0778  2900.97  171.504  2942.68  273.445  2873.92  220.198  138.661   6.4610  137.098   5.2622 1.563293 8.332771 
1 1 1   15    5   28 o  126.204   3.9589  2433.40  152.499  2427.82  219.258  2438.63  212.245  125.984   5.7020  126.274   5.5069 -0.2899780 7.927069 
1 1 1   15    5   29 f  352.276   8.0086 19028.07  861.102 19761.97  1731.53 18786.93  992.541  356.552   15.911  349.752   9.2976 6.799469 18.42813 
1 1 1   15    5   30 o  187.110   4.4938  5351.20  256.643  5339.48  271.664  5448.49  782.677  186.888   4.7625  187.108   13.802 -0.2203674 14.60080 
1 1 1   15    5   31 o  211.816   4.8346  6859.82  312.562  6829.38  330.171  7122.58  970.060  211.322   5.1189  213.645   14.971 -2.322372 15.82167 
1 1 1   15    5   32 o  115.179   3.8753  2027.11  136.239  2070.22  155.227  1882.56  284.271  116.378   4.3700  110.413   8.5006 5.964745 9.558045 
1 1 1   15    5   33 o  187.057   3.6275  5346.06  207.109  5374.90  375.785  5333.47  248.209  187.315   6.5728  186.789   4.3536 0.5258026 7.883868 
1 1 1   15    5   34 o  246.346   5.0657  9283.39  380.893  8911.47  1414.19  9312.48  395.509  236.684   19.757  246.710   5.2523 -10.02614 20.44276 
1 1 1   15    5   35 o  149.076   3.4195  3395.45  155.589  3644.01  243.402  3223.71  202.322  154.322   5.1675  145.192   4.5655 9.130722 6.895377 
1 1 1   15    5   36 o   82.798   4.5241  1051.59  113.899  744.602  465.470  1071.14  117.471   67.972   20.630   83.557   4.6240 -15.58512 21.14149 
1 1 1   15    5   37 o  140.942   4.2010  3037.57  180.721  3151.25  251.139  2915.49  260.262  143.433   5.7365  137.922   6.1824 5.510757 8.433882 
1 1 1   15    5   38 o  278.048   7.2707 11873.84  617.041 14316.39  1705.72 11506.08  661.864  299.473   18.756  273.544   7.9273 25.92856 20.36205 
1 1 1   15    5   39 o   72.948   4.6463  817.694  102.913  959.042  673.944  814.319  104.135   76.702   25.038   72.790   4.7124 3.911385 25.47780 
1 1 1   15    5   40 o  216.313   4.3425  7160.23  286.704  7258.73  372.187  7016.49  449.625  217.600   5.6038  213.692   6.8936 3.907974 8.883928 
1 1 1   15    5   41 o   40.845   12.733  260.181  175.897   72.650  634.917  275.771  183.063   52.383   22.389   41.949   12.976 10.43395 25.87740 
1 1 1   15    5   42 o  150.678   4.5551  3477.48  209.492  3068.90  537.509  3550.66  227.480  139.286   12.786  152.212   4.8964 -12.92606 13.69158 
1 1 1   15    5   43 o  217.357   4.5372  7238.74  301.011  7295.04  457.698  7195.83  399.582  217.635   6.8902  216.377   6.0503 1.258774 9.169593 
1 1 1   15    5   44 o  121.980   3.6850  2277.32  137.198  2371.17  217.900  2215.68  176.598  124.212   5.7475  120.196   4.8137 4.015915 7.497037 
1 1 1   15    5   45 o  262.382   5.3792 10577.30  430.791 10655.86  648.064 10515.10  576.634  262.245   8.0964  260.900   7.2412 1.344543 10.86217 
1 1 1   15    5   46 o   23.132   8.3706   69.418   75.972   0.0000   0.0000   69.418   75.972  ?   ?    23.132   8.3706 0.000000 8.370564 
1 1 1   15    6    0 o  169.078   8.1422  4402.40  417.970  4402.40  417.970  4402.40  417.970  169.078   8.1422  169.078   8.1422 0.000000 0.000000 
1 1 1   15    6    1 o  164.413   4.9232  4130.98  247.058  4132.92  276.988  4123.43  546.411  164.423   5.5193  163.455   11.017 0.9686890 12.32178 
1 1 1   15    6    2 o  167.895   3.8797  4305.58  198.818  4258.11  203.681  5264.14  915.252  166.963   3.9968  183.613   16.508 -16.65074 16.98462 
1 1 1   15    6    3 o  260.401   6.3853 10372.19  507.505 10099.06  541.679 12334.17  1451.80  256.899   6.9082  281.519   16.975 -24.62054 18.32712 
1 1 1   15    6    4 o  149.322   3.5713  3405.26  162.765  3606.62  249.639  3256.36  214.669  153.606   5.3246  145.978   4.8180 7.627930 7.180835 
1 1 1   15    6    5 o  186.151   3.2844  5291.56  186.610  4999.15  228.062  5883.93  324.608  180.902   4.1304  196.190   5.4208 -15.28787 6.815100 
1 1 1   15    6    6 o  201.418   4.5114  6198.54  277.346  5677.15  372.728  6845.33  415.143  192.651   6.3387  211.538   6.4297 -18.88719 9.028898 
1 1 1   15    6    7 o  106.894   3.5193  1745.05  114.824  1923.35  178.923  1620.19  149.722  112.174   5.2258  102.969   4.7639 9.205666 7.071362 
1 1 1   15    6    8 o  327.256   7.2296 16393.89  722.135 16210.20  1420.44 16457.91  838.592  323.972   14.365  327.723   8.3835 -3.751190 16.63217 
1 1 1   15    6    9 o   79.165   4.0633  959.860   97.850  874.685  232.592  978.176  107.859   74.752   10.483   79.890   4.4408 -5.138832 11.38439 
1 1 1   15    6   10 o  127.323   4.1969  2476.58  163.099  2032.13  386.311  2572.99  179.921  114.434   11.204  129.766   4.5426 -15.33199 12.08988 
1 1 1   15    6   11 o  144.348   4.2360  3183.26  186.632  3029.02  340.399  3249.55  223.163  140.392   7.9767  145.812   5.0143 -5.419861 9.421890 
1 1 1   15    6   12 o  411.863   6.5655 25954.99  825.348 26149.05  1012.63 25570.94  1424.53  413.134   8.0305  407.728   11.447 5.406769 13.98280 
1 1 1   15    6   13 o  351.591   6.3318 18911.28  679.491 18991.04  891.075 18800.46  1050.34  352.026   8.2932  349.960   9.8332 2.066284 12.86345 
1 1 1   15    6   14 o  105.301   3.1791  1693.27  102.178  1597.82  134.135  1825.22  157.716  102.264   4.2974  109.287   4.7281 -7.022293 6.389260 
1 1 1   15    6   15 o  279.108   5.0285 11907.22  428.375 11779.32  564.887 12080.31  657.155  277.441   6.6707  280.840   7.6664 -3.398834 10.16232 
1 1 1   15    6   16 o   38.625   5.0805  231.965   58.441  142.584   95.837  284.877   73.738   30.505   9.3807   42.772   5.7976 -12.26754 11.02771 
1 1 1   15    6   17 o  206.486   6.2794  6522.89  395.756  6522.89  395.756   0.0000   0.0000  206.486   6.2794  ?   ?  0.000000 6.279414 
1 1 1   15    6   18 o   45.086   6.4507  317.316   86.241  317.316   86.241   0.0000   0.0000   45.086   6.4507  ?   ?  0.000000 6.450748 
1 1 1   15    6   19 o  354.632   9.0492 19292.44  979.505 19292.44  979.505   0.0000   0.0000  354.632   9.0492  ?   ?  0.000000 9.049228 
1 1 1   15    6   20 o   52.197   4.9359  420.149   77.704  338.711  354.496  424.259   79.641   50.465   18.105   52.443   5.0374 -1.978474 18.79230 
1 1 1   15    6   21 o   81.539   3.6102  1015.50   89.849  1032.23  181.235  1010.05  103.458   81.776   7.3392   81.200   4.1886 0.5755768 8.450334 
1 1 1   15    6   22 o  240.273   4.4932  8821.85  329.516  9756.98  517.985  8186.15  427.075  252.484   6.7215  231.332   6.0485 21.15196 9.042317 
1 1 1   15    6   23 o  177.170   3.9494  4795.21  213.571  5242.85  624.817  4735.99  227.259  184.274   11.162  176.059   4.2291 8.214783 11.93588 
1 1 1   15    6   24 o  178.731   3.7227  4879.62  203.083  4789.44  313.633  4944.73  266.496  176.956   5.8068  179.862   4.8544 -2.906036 7.568623 
1 1 1   15    6   25 o  311.712   5.8860 14862.94  560.001 15650.21  868.343 14302.35  732.735  319.382   8.9077  305.499   7.8582 13.88287 11.87843 
1 1 1   15    6   26 o  383.828   6.3798 22546.29  747.418 24789.88  1162.11 20963.51  976.080  401.795   9.4760  369.677   8.6506 32.11853 12.83072 
1 1 1   15    6   27 o  277.980   5.1855 11815.15  439.967 11847.53  650.135 11787.80  597.595  278.048   7.6607  277.433   7.0572 0.6148682 10.41585 
1 1 1   15    6   28 o  133.585   3.3723  2725.58  137.501  2839.32  242.156  2671.46  167.042  136.231   5.8237  132.224   4.1390 4.007416 7.144743 
1 1 1   15    6   29 o  241.458   10.151  8966.96  748.130  8874.21  953.800  9115.28  1206.09  239.243   13.112  241.402   16.467 -2.158356 21.04959 
1 1 1   15    6   30 o  304.853   5.8037 14220.64  540.026 14319.71  568.610 13308.99  1724.93  305.872   6.0906  290.360   19.578 15.51242 20.50312 
1 1 1   15    6   31 o   82.507   4.2529  1043.20  106.738  1087.13  123.677  914.982  211.303   84.182   4.8337   76.623   9.2201 7.558678 10.41032 
1 1 1   15    6   32 o  227.813   6.5233  7949.41  453.592  7836.86  480.597  8867.37  1372.49  226.137   6.9629  236.624   19.168 -10.48720 20.39364 
1 1 1   15    6   33 o  179.322   3.7893  4913.82  207.402  5124.91  363.926  4812.28  252.403  182.900   6.5190  177.400   4.6615 5.499634 8.014193 
1 1 1   15    6   34 o   26.692   9.0122  101.981   87.147 -331.5352  653.883  109.820   87.931   46.651   21.171   27.387   9.0491 19.26418 23.02364 
1 1 1   15    6   35 o   70.219   3.6422  755.522   77.794  833.699  117.083  693.729  104.093   73.623   5.2446   67.138   5.1182 6.484688 7.328155 
1 1 1   15    6   36 o  252.677   4.4949  9765.09  346.662  9765.56  436.128  9764.28  571.307  252.521   5.6585  252.188   7.4221 0.3329620 9.333078 
1 1 1   15    6   37 o   62.777   7.9753  615.408  149.365  619.438  152.144  508.133  785.038   62.961   8.1054   67.014   26.298 -4.053429 27.51916 
1 1 1   15    6   38 o  138.414   3.5642  2928.50  150.576  2740.96  261.399  3021.63  184.208  133.669   6.4070  140.546   4.2941 -6.877747 7.712940 
1 1 1   15    6   39 o  199.560   3.9996  6091.09  243.615  6073.72  421.906  6099.77  298.383  198.833   6.9520  199.592   4.8979 -0.7599182 8.504132 
1 1 1   15    6   40 o   93.921   6.4180  1360.82  182.883  1360.82  182.883   0.0000   0.0000   93.921   6.4180  ?   ?  0.000000 6.418021 
1 1 1   15    6   41 o  185.870   6.5936  5310.77  374.066  5310.77  374.066   0.0000   0.0000  185.870   6.5936  ?   ?  0.000000 6.593608 
1 1 1   15    6   42 o  107.742   5.2534  1780.63  172.761   0.0000   0.0000  1780.63  172.761  ?   ?   107.742   5.2534 0.000000 5.253441 
1 1 1   15    6   43 o  136.297   4.7296  2848.01  196.757  2919.71  731.771  2842.43  204.280  132.711   18.575  136.138   4.9162 -3.427551 19.21409 
1 1 1   15    6   44 o   86.192   3.0040  1136.05   79.030  1289.86  171.505  1094.58   89.047   91.339   6.1883   84.577   3.4494 6.762154 7.084751 
1 1 1   15    6   45 o   68.563   10.654  753.020  215.709   0.0000   0.0000  753.020  215.709  ?   ?    68.563   10.654 0.000000 10.65360 
1 1 1   15    6   46 o   45.892   6.6974  331.779   91.049   0.0000   0.0000  331.779   91.049  ?   ?    45.892   6.6974 0.000000 6.697358 
1 1 1   15    7    0 o  246.813   6.0886  9325.09  458.042  9325.09  458.042  9325.09  458.042  246.813   6.0886  246.813   6.0886 0.000000 0.000000 
1 1 1   15    7    1 o  190.508   5.9269  5550.06  344.634  5184.49  486.570  5918.09  488.207  183.913   8.6679  196.545   8.1381 -12.63206 11.88957 
1 1 1   15    7    2 o  140.063   7.1325  3010.48  303.909  2698.14  325.476  5135.76  849.010  132.469   8.0886  181.555   15.469 -49.08597 17.45569 
1 1 1   15    7    3 o  142.019   5.2193  3082.97  226.243  3510.60  427.221  2916.31  266.711  151.004   9.3148  138.075   6.3286 12.92876 11.26128 
1 1 1   15    7    4 o  377.671   6.7938 21826.62  783.151 21479.31  1105.50 22176.51  1109.59  374.135   9.6809  380.184   9.5621 -6.048828 13.60711 
1 1 1   15    7    5 o  176.072   8.2899  4750.27  445.508  4224.92  925.077  4908.90  508.340  163.669   18.863  178.648   9.3552 -14.97910 21.05563 
1 1 1   15    7    6 f  247.092   6.4591  9340.61  487.131  8755.83  569.017 10945.16  942.552  239.098   7.7971  266.750   11.577 -27.65164 13.95758 
1 1 1   15    7    7 o  129.999   3.2033  2580.67  127.104  2307.91  178.281  2862.64  181.261  122.892   4.7529  136.882   4.3385 -13.98988 6.435309 
1 1 1   15    7    8 o  235.217   5.8130  8460.61  417.334  8277.36  778.765  8534.44  494.303  232.053   10.995  236.148   6.8579 -4.094803 12.95860 
1 1 1   15    7    9 o  113.322   7.3102  1974.24  251.499  1851.45  315.828  2187.04  415.783  109.434   9.5511  118.674   11.628 -9.239738 15.04785 
1 1 1   15    7   10 o  130.006   7.0658  2594.77  279.325  2388.32  349.988  2956.99  463.591  124.433   9.2819  138.249   11.080 -13.81573 14.45368 
1 1 1   15    7   11 o  180.393   5.4954  4975.38  302.576  4939.52  329.308  5169.75  766.666  179.710   6.0036  182.475   13.869 -2.764877 15.11280 
1 1 1   15    7   12 o  383.666   6.5801 22524.17  770.553 22345.10  806.336 24408.53  2615.66  382.085   6.9142  393.624   21.857 -11.53964 22.92471 
1 1 1   15    7   13 o   22.341   9.6767 -17.6084  121.655 -34.0607  140.185   32.577  244.837   23.415   10.260   33.837   14.154 -10.42251 17.48190 
1 1 1   15    7   14 o  277.387   5.6600 11765.95  479.204 11674.15  503.760 12639.23  1553.81  276.272   5.9741  284.392   17.993 -8.119965 18.95910 
1 1 1   15    7   15 o  122.225   8.8497  2302.88  327.911  2301.63  449.853  2304.31  478.990  121.631   12.286  121.540   13.120 0.9050751E-01 17.97430 
1 1 1   15    7   16 o  113.021   4.8290  1952.28  166.583  1938.68  179.353  2037.71  449.512  112.613   5.2180  114.204   13.135 -1.591698 14.13331 
1 1 1   15    7   17 o  246.010   5.4542  9253.61  409.541  9253.61  409.541   0.0000   0.0000  246.010   5.4542  ?   ?  0.000000 5.454161 
1 1 1   15    7   18 o  227.227   6.7735  7902.64  469.778  7902.64  469.778   0.0000   0.0000  227.227   6.7735  ?   ?  0.000000 6.773540 
1 1 1   15    7   19 o  131.299   3.9998  2633.62  160.294  2613.89  167.963  2835.02  536.605  130.799   4.2072  134.926   13.199 -4.126373 13.85331 
1 1 1   15    7   20 o  240.110   6.4844  8822.21  475.225  8747.54  514.677  9253.97  1237.67  239.032   7.0544  243.517   16.754 -4.484344 18.17820 
1 1 1   15    7   21 o  146.083   4.0949  3260.28  182.583  3543.20  280.860  3053.21  240.284  152.192   6.0462  141.302   5.5713 10.88969 8.221674 
1 1 1   15    7   22 o   29.993   7.7795  142.964   71.822  182.520  162.598  133.375   80.055   35.953   12.309   29.211   8.4793 6.741941 14.94721 
1 1 1   15    7   23 o  132.946   3.3346  2699.33  135.312  2326.62  224.357  2912.40  169.637  123.327   5.9603  138.070   4.0254 -14.74278 7.192231 
1 1 1   15    7   24 o  143.127   3.9299  3129.56  171.681  2996.99  252.079  3244.24  234.464  139.971   5.9004  145.665   5.2736 -5.693680 7.913615 
1 1 1   15    7   25 o  260.885   4.6058 10402.11  366.747 10524.77  633.225 10340.19  449.883  262.043   7.9171  260.009   5.6688 2.034302 9.737387 
1 1 1   15    7   26 o  147.313   2.9563  3313.89  132.925  3349.43  186.383  3277.10  189.629  148.057   4.1244  146.445   4.2424 1.612335 5.916817 
1 1 1   15    7   27 o   99.034   4.8669  1499.36  147.114  1501.95  446.136  1499.04  155.830   97.199   15.563   98.877   5.1815 -1.677887 16.40288 
1 1 1   15    7   28 o  311.894   7.8541 14915.07  747.689 14758.19  809.655 15823.90  1948.73  310.115   8.5538  316.524   20.278 -6.409271 22.00802 
1 1 1   15    7   29 o  205.938   6.4323  6493.39  404.318  6493.39  404.318   0.0000   0.0000  205.938   6.4323  ?   ?  0.000000 6.432345 
1 1 1   15    7   30 o  236.551   4.8462  8556.03  349.896  8512.20  494.052  8600.14  495.607  235.716   6.8670  236.932   6.8532 -1.216232 9.701677 
1 1 1   15    7   31 o  348.239   5.3946 18553.53  573.391 18835.08  749.708 18156.73  890.020  350.572   7.0065  343.866   8.4800 6.706146 11.00001 
1 1 1   15    7   32 o  136.921   3.6600  2864.51  152.956  2753.67  190.033  3068.43  257.753  134.196   4.6395  141.569   5.9651 -7.372726 7.556946 
1 1 1   15    7   33 o   43.509   5.2376  293.806   68.157  322.644  152.183  286.571   76.230   44.843   11.163   42.849   5.9927 1.993996 12.66942 
1 1 1   15    7   34 o  260.382   5.3476 10376.72  425.001 10908.17  632.553  9939.38  573.815  266.539   7.7753  254.503   7.3869 12.03601 10.72483 
1 1 1   15    7   35 o  143.801   4.1723  3161.70  183.127  3179.26  251.805  3141.98  266.807  144.081   5.7259  143.199   6.1044 0.8817291 8.369514 
1 1 1   15    7   36 o  146.467   4.0727  3280.19  182.072  3411.72  261.411  3156.26  253.736  149.235   5.7390  143.534   5.7917 5.700928 8.153558 
1 1 1   15    7   37 o  234.555   5.9317  8432.79  424.658  8585.48  496.198  8014.81  820.962  236.493   6.8742  226.887   11.896 9.605850 13.73959 
1 1 1   15    7   38 o  116.933   3.6804  2090.53  131.357  2258.67  212.899  1987.18  166.916  121.386   5.7463  113.934   4.7999 7.452225 7.487236 
1 1 1   15    7   39 o  120.425   3.0188  2216.16  110.960  2392.67  217.447  2154.01  129.023  124.914   5.7033  118.693   3.5614 6.220863 6.723945 
1 1 1   15    7   40 o  180.027   6.4929  4979.91  356.776  4979.91  356.776   0.0000   0.0000  180.027   6.4929  ?   ?  0.000000 6.492938 
1 1 1   15    7   41 o   68.317   5.4586  720.577  112.872  720.577  112.872   0.0000   0.0000   68.317   5.4586  ?   ?  0.000000 5.458614 
1 1 1   15    7   42 f   86.069   3.7874  1133.72   99.495  1161.75  165.792  1117.94  124.383   86.685   6.3094   85.262   4.7991 1.423744 7.927187 
1 1 1   15    7   43 o   58.631   4.8532  530.847   86.070  446.706  151.664  570.818  104.533   52.764   9.7775   60.681   5.7111 -7.917942 11.32325 
1 1 1   15    7   44 o   81.530   3.3251  1017.09   82.746  1117.23  618.415  1015.26   83.497   79.324   23.712   81.455   3.3584 -2.130745 23.94903 
1 1 1   15    7   45 o  160.726   5.0624  3968.21  248.349   0.0000   0.0000  3968.21  248.349  ?   ?   160.726   5.0624 0.000000 5.062418 
1 1 1   15    8    0 o  211.124   4.4872  6816.36  288.860  6816.36  288.860  6816.36  288.860  211.124   4.4872  211.124   4.4872 0.000000 0.000000 
1 1 1   15    8    1 o  138.596   5.3575  2936.55  226.636  2776.97  317.799  3101.70  323.295  134.427   7.7787  142.129   7.4788 -7.702042 10.79075 
1 1 1   15    8    2 o  213.645   4.1150  6972.95  268.338  6960.05  577.442  6976.50  303.047  213.052   8.8799  213.670   4.6467 -0.6182098 10.02219 
1 1 1   15    8    3 f  166.867   4.2823  4254.08  218.103  3287.71  399.300  4665.00  260.375  146.147   8.9951  174.711   4.8827 -28.56435 10.23493 
1 1 1   15    8    4 o  417.324   9.7996 26732.99  1248.24 25322.65  3214.95 26983.33  1354.51  398.139   26.609  419.071   10.590 -20.93237 28.63886 
1 1 1   15    8    5 o  305.573   11.337 14361.21  1057.34   0.0000   0.0000 14361.21  1057.34  ?   ?   305.573   11.337 0.000000 11.33655 
1 1 1   15    8    6 o  196.200   14.503  5981.12  862.366   0.0000   0.0000  5981.12  862.366  ?   ?   196.200   14.503 0.000000 14.50324 
1 1 1   15    8    7 o  126.605   7.5227  2463.22  289.392  2289.56  367.693  2745.90  469.112  121.712   9.9857  133.087   11.666 -11.37414 15.35626 
1 1 1   15    8    8 o  173.045   4.4134  4575.36  233.106  4937.58  438.046  4432.27  275.328  179.520   7.9945  170.273   5.2977 9.247070 9.590487 
1 1 1   15    8    9 o  140.106   7.6462  3015.40  325.742  3024.51  417.703  3001.26  520.376  140.021   9.8361  139.042   12.392 0.9792023 15.82093 
1 1 1   15    8   10 f   61.623   5.6548  585.549  105.174  592.961  115.060  547.892  259.348   61.956   6.1665   58.401   14.591 3.554420 15.84072 
1 1 1   15    8   11 o   97.394   3.7485  1448.87  111.432  1338.43  178.255  1519.71  142.765   93.323   6.2948   99.722   4.6905 -6.398277 7.850135 
1 1 1   15    8   12 o  171.604   3.4628  4497.47  181.372  4503.32  226.412  4486.99  303.008  171.680   4.3208  171.288   5.7958 0.3916016 7.229119 
1 1 1   15    8   13 o  134.860   3.1978  2777.38  131.631  2737.82  167.098  2842.07  213.685  133.869   4.0896  136.352   5.1345 -2.483383 6.564071 
1 1 1   15    8   14 o  161.703   4.1765  3994.86  206.134  3620.40  294.910  4352.58  288.239  153.830   6.2810  168.713   5.5974 -14.88293 8.413222 
1 1 1   15    8   15 o  159.840   3.9416  3902.92  192.299  3997.56  269.391  3804.60  274.588  161.693   5.4585  157.729   5.7036 3.964249 7.894739 
1 1 1   15    8   16 o  476.587   16.424 35261.16  2389.17 35866.92  2937.07 34076.28  4107.71  478.646   20.104  459.173   29.465 19.47281 35.67005 
1 1 1   15    8   17 o  324.674   8.4327 16160.52  835.659 16160.52  835.659   0.0000   0.0000  324.674   8.4327  ?   ?  0.000000 8.432666 
1 1 1   15    8   18 o  249.949   5.3919  9552.19  411.348  9552.19  411.348   0.0000   0.0000  249.949   5.3919  ?   ?  0.000000 5.391885 
1 1 1   15    8   19 f   88.868   4.2673  1206.67  115.748  1212.67  121.534  1148.10  379.669   88.970   4.4900   84.869   15.216 4.101234 15.86448 
1 1 1   15    8   20 o  255.452   10.354 10028.50  807.302 10266.15  1019.12  9628.14  1322.75  257.628   13.002  248.098   17.582 9.530029 21.86721 
1 1 1   15    8   21 o   81.022   14.484  1045.17  345.036  890.069  815.305  1079.01  380.818   78.314   27.523   82.090   15.772 -3.776443 31.72141 
1 1 1   15    8   22 o  310.733   20.530 15212.22  1936.18   0.0000   0.0000 15212.22  1936.18  ?   ?   310.733   20.530 0.000000 20.53030 
1 1 1   15    8   23 o   87.319   4.8198  1169.00  127.959  1216.88  148.788  1032.97  250.764   89.035   5.5021   81.338   10.334 7.697014 11.70753 
1 1 1   15    8   24 o  232.312   5.4975  8253.67  389.813  8415.41  454.978  7807.20  755.898  234.494   6.3569  225.230   10.996 9.263550 12.70090 
1 1 1   15    8   25 o   64.741   5.3186  645.250  104.169  589.192  111.478  1031.18  292.499   61.768   5.9883   80.889   12.229 -19.12186 13.61631 
1 1 1   15    8   26 o   76.431   3.3606  892.254   78.398  896.787  118.804  888.757  104.341   76.412   5.1236   76.123   4.5109 0.2892456 6.826396 
1 1 1   15    8   27 o  238.033   5.6799  8668.24  412.660 10568.20  897.242  8158.54  464.728  261.896   11.224  230.830   6.5961 31.06578 13.01908 
1 1 1   15    8   28 o  416.495   7.2006 26581.83  915.371 27259.54  1300.39 25916.21  1288.75  420.932   10.122  410.374   10.289 10.55759 14.43287 
1 1 1   15    8   29 o  129.489   5.0783  2564.34  200.712  2557.76  230.795  2584.77  406.576  129.278   5.8490  129.160   10.401 0.1176910 11.93318 
1 1 1   15    8   30 o  305.478   7.2416 14305.58  675.195 14534.45  1366.81 14231.70  776.564  305.795   14.644  304.462   8.3566 1.333771 16.86055 
1 1 1   15    8   31 o  178.326   3.9805  4860.00  216.655  4839.51  328.283  4875.81  288.375  177.783   6.0498  178.518   5.2925 -0.7345428 8.038074 
1 1 1   15    8   32 o  106.383   3.4742  1729.15  112.810  1644.47  211.460  1762.84  133.374  103.365   6.7394  107.392   4.0690 -4.026985 7.872463 
1 1 1   15    8   33 f  136.426   7.5252  2865.16  312.138  3207.03  770.053  2797.95  341.447  141.563   18.247  134.677   8.3475 6.885834 20.06544 
1 1 1   15    8   34 o  184.745   3.8055  5216.79  214.584  5453.09  268.030  4794.94  358.115  188.810   4.6509  176.839   6.6348 11.97173 8.102579 
1 1 1   15    8   35 o   32.405   9.4839  164.776   99.782 -20.6222  148.541  317.228  134.698   24.629   10.680   44.462   10.149 -19.83310 14.73329 
1 1 1   15    8   36 o   26.006   7.9672  104.100   69.205   92.714  140.204  107.768   79.574   29.376   11.224   26.785   8.5918 2.590889 14.13497 
1 1 1   15    8   37 o  262.490   5.1669 10552.38  413.964 10705.63  623.237 10431.38  553.768  263.809   7.7401  260.605   6.9619 3.204193 10.41046 
1 1 1   15    8   38 o  204.242   4.5770  6385.46  285.325  6364.91  433.844  6401.11  378.762  203.505   6.9846  204.257   6.0754 -0.7523804 9.257161 
1 1 1   15    8   39 o  112.447   6.1449  1946.92  210.101  1946.92  210.101   0.0000   0.0000  112.447   6.1449  ?   ?  0.000000 6.144858 
1 1 1   15    8   40 f  133.818   5.7203  2748.52  233.641  2643.95  261.040  3169.68  523.871  131.135   6.5218  141.787   12.225 -10.65211 13.85552 
1 1 1   15    8   41 o   63.013   4.1895  610.677   80.117  670.133  438.639  608.625   81.488   63.742   20.143   62.897   4.2700 0.8446503 20.59093 
1 1 1   15    8   42 o   95.193   6.0914  1399.35  176.060  1323.35  196.798  1704.04  394.029   92.378   7.0325  103.196   12.783 -10.81819 14.58998 
1 1 1   15    8   43 o  149.006   4.8406  3406.73  220.152  3595.43  835.100  3392.64  228.225  146.511   19.131  148.666   5.0296 -2.154846 19.78148 
1 1 1   15    8   44 o  175.120   4.1692  4700.47  222.846   0.0000   0.0000  4700.47  222.846  ?   ?   175.120   4.1692 0.000000 4.169200 
1 1 1   15    8   45 f   58.358   5.1755  527.519   91.231   0.0000   0.0000  527.519   91.231  ?   ?    58.358   5.1755 0.000000 5.175508 
1 1 1   15    9    0 o  239.693   7.0710  8806.29  516.291  8806.29  516.291  8806.29  516.291  239.693   7.0710  239.693   7.0710 0.000000 0.000000 
1 1 1   15    9    1 o  222.947   7.7285  7613.62  525.914  7557.26  743.480  7670.06  744.029  221.703   10.987  223.363   10.913 -1.659546 15.48605 
1 1 1   15    9    2 o  143.677   6.3251  3158.18  277.376  2844.21  359.557  3619.66  435.917  135.923   8.7127  153.310   9.3606 -17.38716 12.78793 
1 1 1   15    9    3 o  117.970   2.8116  2124.93  101.239  1860.64  152.738  2332.04  135.206  110.347   4.5349  123.567   3.5849 -13.21962 5.780735 
1 1 1   15    9    4 o  128.089   4.2532  2506.68  166.283  2381.55  189.029  2934.76  349.638  124.826   4.9614  138.127   8.3322 -13.30128 9.697518 
1 1 1   15    9    5 o  311.765   11.474 14955.19  1091.81 15696.94  1362.85 13626.22  1824.22  318.767   14.007  294.351   20.431 24.41663 24.77179 
1 1 1   15    9    6 o   36.042   13.466  151.472  199.243 -44.0105  836.687  163.224  205.145   58.854   25.435   36.918   13.690 21.93681 28.88481 
1 1 1   15    9    7 o  141.907   7.8768  3094.59  339.831  2938.28  437.041  3333.62  540.450  137.895   10.462  146.623   12.187 -8.728104 16.06129 
1 1 1   15    9    8 o  224.565   9.1890  7737.11  629.834  7886.20  796.770  7488.76  1028.33  226.077   11.586  219.353   15.458 6.724213 19.31799 
1 1 1   15    9    9 o  190.471   10.924  5596.25  632.417  5596.25  632.417   0.0000   0.0000  190.471   10.924  ?   ?  0.000000 10.92388 
1 1 1   15    9   10 f  347.793   7.8084 18531.39  828.897 20019.11  1668.80 18044.14  955.038  359.553   15.206  342.949   9.1238 16.60434 17.73343 
1 1 1   15    9   11 o  129.285   3.0242  2552.34  119.337  2551.84  150.898  2553.18  194.989  129.250   3.8250  129.244   4.9429 0.6469727E-02 6.250085 
1 1 1   15    9   12 o  111.850   5.5028  1912.92  187.859  1826.46  208.368  2288.40  434.237  109.081   6.2850  121.343   11.877 -12.26208 13.43726 
1 1 1   15    9   13 o  181.235   4.4381  5019.03  245.505  4937.62  258.268  5782.12  790.723  179.745   4.7076  193.065   13.503 -13.32040 14.30056 
1 1 1   15    9   14 o  180.307   3.6475  4965.76  200.734  4865.74  250.600  5144.83  335.315  178.437   4.6013  183.396   5.9903 -4.959335 7.553471 
1 1 1   15    9   15 o  249.588   6.4403  9532.23  490.624  8965.78  963.503  9730.52  570.067  240.693   13.165  252.062   7.4097 -11.36839 15.10699 
1 1 1   15    9   16 f   12.718   5.7118 -22.6442   46.177   12.364   86.130 -36.7656   54.703   20.205   8.4185   13.295   6.0681 6.909177 10.37753 
1 1 1   15    9   17 o  180.079   5.9508  4960.37  327.080  4960.37  327.080   0.0000   0.0000  180.079   5.9508  ?   ?  0.000000 5.950774 
1 1 1   15    9   18 o  222.089   4.9054  7539.19  332.520  7539.19  332.520   0.0000   0.0000  222.089   4.9054  ?   ?  0.000000 4.905394 
1 1 1   15    9   19 o  356.383   8.2980 19471.36  902.630 19702.79  979.808 18173.50  2320.29  358.360   8.9579  338.745   22.571 19.61591 24.28336 
1 1 1   15    9   20 o  119.468   10.290  2209.48  371.553  2181.76  589.140  2227.78  478.775  117.306   16.946  119.391   13.368 -2.084465 21.58361 
1 1 1   15    9   21 o  245.989   17.149  9462.37  1279.55   0.0000   0.0000  9462.37  1279.55  ?   ?   245.989   17.149 0.000000 17.14941 
1 1 1   15    9   22 o  120.707   13.620  2279.58  493.013   0.0000   0.0000  2279.58  493.013  ?   ?   120.707   13.620 0.000000 13.61980 
1 1 1   15    9   23 o  327.479   5.2552 16398.54  525.275 16595.48  668.239 16080.09  849.751  329.246   6.6496  323.753   8.5993 5.493256 10.87033 
1 1 1   15    9   24 o  372.008   5.3199 21163.42  604.046 21928.09  768.276 19925.46  977.537  378.450   6.6511  360.300   8.8890 18.14969 11.10183 
1 1 1   15    9   25 o  253.294   7.2096  9829.38  557.384  9531.69  606.405 11450.44  1415.10  249.322   7.9687  270.409   17.235 -21.08757 18.98819 
1 1 1   15    9   26 o   95.884   3.8622  1404.69  113.031  1206.27  189.833  1513.68  140.689   88.452   7.0911   99.509   4.6321 -11.05665 8.469937 
1 1 1   15    9   27 o  468.343   10.530 33772.54  1505.31 37230.44  3961.96 33189.17  1627.34  479.261   27.197  463.890   11.493 15.37186 29.52535 
1 1 1   15    9   28 o  143.015   9.1641  3155.88  397.922  2782.04  573.497  3502.95  552.580  133.150   14.338  150.105   12.166 -16.95468 18.80343 
1 1 1   15    9   29 o   66.211   6.4227  677.693  128.165  760.286  156.935  512.288  222.086   70.022   7.4576   56.409   13.143 13.61286 15.11123 
1 1 1   15    9   30 f  230.867   4.0498  8146.33  285.374  8568.18  420.766  7787.00  388.340  236.581   5.8270  225.560   5.6407 11.02065 8.109959 
1 1 1   15    9   31 o  232.622   7.9769  8308.72  566.372  8049.69  924.740  8464.22  716.476  227.344   13.386  234.379   10.015 -7.035049 16.71775 
1 1 1   15    9   32 o  123.353   4.0051  2325.89  150.792  2555.15  226.300  2142.80  202.228  129.178   5.7395  118.306   5.6004 10.87218 8.019129 
1 1 1   15    9   33 o   58.341   7.0291  529.631  122.647  562.961  156.526  476.623  197.397   59.859   8.8327   54.407   12.189 5.451946 15.05307 
1 1 1   15    9   34 o  284.515   5.6371 12398.76  489.531 13510.18  1758.62 12305.41  509.675  290.374   19.964  283.394   5.8923 6.979767 20.81520 
1 1 1   15    9   35 f  262.627   6.7980 10585.89  544.925 10908.42  1540.28 10539.74  582.603  260.702   19.498  261.944   7.2870 -1.241791 20.81534 
1 1 1   15    9   36 o   33.890   7.2736  183.208   72.987   0.0000   0.0000  183.208   72.987  ?   ?    33.890   7.2736 0.000000 7.273573 
1 1 1   15    9   37 o  143.466   5.2711  3153.70  230.818  3156.08  795.198  3153.48  241.203  139.041   19.254  143.434   5.5095 -4.393188 20.02715 
1 1 1   15    9   38 o   75.834   4.2619  882.903   98.246  1004.07  177.957  829.781  117.830   80.449   7.3277   73.387   5.2960 7.061523 9.041190 
1 1 1   15    9   39 o  190.732   4.7855  5573.88  278.593  5573.88  278.593   0.0000   0.0000  190.732   4.7855  ?   ?  0.000000 4.785514 
1 1 1   15    9   40 o  120.558   3.8914  2224.51  143.193  2291.77  154.467  1813.57  381.822  122.344   4.1365  106.973   11.896 15.37130 12.59432 
1 1 1   15    9   41 o  169.286   4.0205  4388.31  207.740  4414.15  230.515  4276.57  479.318  169.720   4.4499  165.576   9.5245 4.143250 10.51274 
1 1 1   15    9   42 o   54.253   7.1121  461.840  114.934  412.573  147.107  539.033  184.140   50.612   9.8774   57.789   10.838 -7.176895 14.66363 
1 1 1   15    9   43 o   39.197   7.1057  244.487   81.881   0.0000   0.0000  244.487   81.881  ?   ?    39.197   7.1057 0.000000 7.105717 
1 1 1   15    9   44 o  137.723   5.4211  2917.30  227.883   0.0000   0.0000  2917.30  227.883  ?   ?   137.723   5.4211 0.000000 5.421129 
1 1 1   15   10    0 o   43.674   5.1822  303.448   66.517  303.448   66.517  303.448   66.517   43.674   5.1822   43.674   5.1822 0.000000 0.000000 
1 1 1   15   10    1 o  129.231   3.3759  2550.55  133.161  2564.00  186.588  2536.59  190.096  129.526   4.7196  128.828   4.8345 0.6986542 6.756245 
1 1 1   15   10    2 o  291.974   6.7854 13048.05  604.700 13046.13  649.156 13060.67  1662.64  291.887   7.2865  288.675   18.976 3.212189 20.32664 
1 1 1   15   10    3 o   84.736   6.4018  1104.85  164.350  1175.86  200.539  959.588  286.812   87.290   7.6028   77.967   12.473 9.322357 14.60718 
1 1 1   15   10    4 o  252.672   5.6802  9763.25  438.065 10732.98  784.544  9323.94  528.048  264.400   9.7216  246.789   7.0102 17.61052 11.98552 
1 1 1   15   10    5 o  144.884   4.8241  3208.29  213.331  3223.11  231.979  3127.03  543.065  145.199   5.2344  141.870   12.675 3.329376 13.71314 
1 1 1   15   10    6 o  123.938   8.6590  2366.79  325.502  2108.52  444.831  2664.47  477.571  116.266   12.744  130.982   12.082 -14.71548 17.56067 
1 1 1   15   10    7 o  208.315   5.1738  6633.94  328.960  6708.56  599.082  6601.73  393.609  209.072   9.3880  207.730   6.2080 1.342514 11.25491 
1 1 1   15   10    8 o  291.237   10.409 13034.68  925.255 12452.30  1156.15 14072.11  1543.08  284.026   13.336  300.461   16.895 -16.43466 21.52419 
1 1 1   15   10    9 o  345.524   12.254 18396.39  1292.34 18051.43  1601.41 19040.59  2188.36  341.331   15.371  347.876   20.704 -6.544983 25.78586 
1 1 1   15   10   10 o  237.962   9.8753  8696.25  717.253  8887.27  906.515  8376.50  1172.88  239.811   12.427  231.632   16.702 8.179260 20.81802 
1 1 1   15   10   11 o  321.031   11.702 15867.91  1146.61 17558.14  2130.10 15178.35  1360.55  333.845   21.012  313.320   14.227 20.52490 25.37502 
1 1 1   15   10   12 o  181.471   4.1900  5031.51  232.083  5188.45  325.928  4870.09  330.550  184.184   5.7977  178.425   6.0696 5.758774 8.393657 
1 1 1   15   10   13 o  273.895   6.6099 11481.27  552.583 11709.10  602.166 10266.27  1390.60  276.535   7.1343  256.121   17.901 20.41342 19.27040 
1 1 1   15   10   14 o   85.967   4.2010  1129.16  110.230  1117.94  116.909  1219.02  330.854   85.414   4.5003   88.039   12.678 -2.625511 13.45304 
1 1 1   15   10   15 o  264.337   4.4897 10677.67  362.237 10970.50  447.367 10120.17  617.273  267.851   5.4721  256.992   7.8694 10.85919 9.584947 
1 1 1   15   10   16 o  275.679   5.8214 11624.31  489.838 11624.31  489.838   0.0000   0.0000  275.679   5.8214  ?   ?  0.000000 5.821445 
1 1 1   15   10   17 o  171.229   11.910  4537.92  618.559  4537.92  618.559   0.0000   0.0000  171.229   11.910  ?   ?  0.000000 11.90965 
1 1 1   15   10   18 o  123.028   16.419  2390.89  601.161  2390.89  601.161   0.0000   0.0000  123.028   16.419  ?   ?  0.000000 16.41899 
1 1 1   15   10   19 o   23.240   9.1479   46.680   95.262   44.913  102.884   57.298  252.204   23.807   9.4637   35.143   14.504 -11.33565 17.31859 
1 1 1   15   10   20 o  177.680   6.0025  4830.02  325.528   0.0000   0.0000  4830.02  325.528  ?   ?   177.680   6.0025 0.000000 6.002523 
1 1 1   15   10   21 o  120.527   4.0055  2219.47  147.353  2124.07  236.799  2279.75  188.239  117.607   6.6237  122.112   5.0505 -4.504623 8.329526 
1 1 1   15   10   22 o   71.705   3.9345  787.906   85.781  720.300  142.396  826.416  107.470   68.234   6.9336   73.368   4.8261 -5.134048 8.447815 
1 1 1   15   10   23 o   61.543   7.0238  587.617  129.575  587.617  129.575   0.0000   0.0000   61.543   7.0238  ?   ?  0.000000 7.023798 
1 1 1   15   10   24 o  389.438   6.1912 23213.40  735.916 22877.11  935.292 23760.00  1192.41  386.244   7.9336  393.090   9.9384 -6.845734 12.71663 
1 1 1   15   10   25 o  281.553   4.7123 12119.11  404.962 11881.52  516.897 12496.70  651.633  278.617   6.0782  285.526   7.4772 -6.908203 9.636084 
1 1 1   15   10   26 o  327.265   5.8547 16390.98  584.817 16126.50  835.700 16644.79  818.676  324.123   8.4474  329.358   8.1438 -5.234955 11.73372 
1 1 1   15   10   27 o  179.858   4.0784  4943.83  223.890  5155.06  333.226  4770.00  302.287  183.514   5.9491  176.557   5.6094 6.957336 8.176642 
1 1 1   15   10   28 o   69.267   6.9377  742.608  144.703  715.936  168.126  818.829  284.213   67.789   8.2990   71.545   13.510 -3.756706 15.85557 
1 1 1   15   10   29 o  136.544   5.3743  2852.99  223.980  2821.85  250.332  2977.99  501.520  135.749   6.0417  138.268   12.003 -2.518585 13.43757 
1 1 1   15   10   30 o  306.635   7.3461 14424.94  687.532 14818.02  1403.34 14300.79  788.668  308.271   14.915  305.049   8.4705 3.221924 17.15212 
1 1 1   15   10   31 o  115.962   3.1007  2054.23  109.749  2146.53  152.568  1955.26  157.990  118.489   4.2186  113.068   4.5780 5.420616 6.225311 
1 1 1   15   10   32 f  216.167   4.5177  7147.18  298.073  7765.71  456.019  6685.79  393.857  225.037   6.6391  208.872   6.1779 16.16553 9.068881 
1 1 1   15   10   33 o  162.341   5.2944  4035.11  262.340   0.0000   0.0000  4035.11  262.340  ?   ?   162.341   5.2944 0.000000 5.294441 
1 1 1   15   10   34 o   71.576   4.1274  786.096   89.788  602.369  168.120  859.414  106.203   61.851   9.1843   74.796   4.6755 -12.94463 10.30593 
1 1 1   15   10   35 o   56.962   4.5607  499.714   78.627  482.128  156.615  505.641   90.915   55.084   9.6678   57.215   5.2651 -2.131306 11.00853 
1 1 1   15   10   36 o  112.798   5.0049  1948.78  172.310   0.0000   0.0000  1948.78  172.310  ?   ?   112.798   5.0049 0.000000 5.004876 
1 1 1   15   10   37 o   49.894   4.9382  385.070   74.215  264.751  156.030  420.250   84.369   40.768   11.839   52.082   5.3851 -11.31367 13.00610 
1 1 1   15   10   38 o   80.614   3.8570  994.320   94.902  1010.71  168.629  986.723  114.810   80.758   6.9076   80.117   4.7158 0.6411438 8.363877 
1 1 1   15   10   39 o   25.203   9.4801   73.317   99.068   73.317   99.068   0.0000   0.0000   25.203   9.4801  ?   ?  0.000000 9.480065 
1 1 1   15   10   40 o   70.570   8.0087  779.653  169.448  779.653  169.448   0.0000   0.0000   70.570   8.0087  ?   ?  0.000000 8.008702 
1 1 1   15   10   41 o  110.476   5.6669  1881.02  190.443  1828.66  208.460  2145.28  468.290  108.796   6.3046  115.492   13.542 -6.696289 14.93722 
1 1 1   15   10   42 o  128.893   13.804  2679.74  534.613   0.0000   0.0000  2679.74  534.613  ?   ?   128.893   13.804 0.000000 13.80385 
1 1 1   15   10   43 o  131.042   8.9360  2687.63  355.282   0.0000   0.0000  2687.63  355.282  ?   ?   131.042   8.9360 0.000000 8.936047 
1 1 1   15   11    0 o  587.842   10.267 52988.70  1840.88 52988.70  1840.88 52988.70  1840.88  587.842   10.267  587.842   10.267 0.000000 0.000000 
1 1 1   15   11    1 o  196.401   3.0746  5890.34  184.311  6284.92  262.925  5509.10  258.443  202.816   4.2473  189.874   4.4595 12.94147 6.158429 
1 1 1   15   11    2 o  134.049   3.0217  2743.91  123.634  3012.58  223.635  2625.65  148.368  140.376   5.2195  131.109   3.7076 9.266998 6.402329 
1 1 1   15   11    3 o   38.450   5.0448  229.866   57.777  567.653  143.443  164.451   63.124   60.344   7.9840   32.192   6.6447 28.15274 10.38737 
1 1 1   15   11    4 o  481.931   9.0782 35635.45  1335.36 35635.45  1335.36   0.0000   0.0000  481.931   9.0782  ?   ?  0.000000 9.078169 
1 1 1   15   11    5 o  156.779   4.7243  3756.59  226.069  3822.18  246.527  3409.91  566.786  158.122   5.1081  148.183   12.653 9.939072 13.64497 
1 1 1   15   11    6 o  122.532   3.7860  2293.48  141.597  2302.81  158.830  2257.35  312.559  122.767   4.2387  121.039   8.5146 1.727638 9.511306 
1 1 1   15   11    7 o  262.385   4.8490 10522.79  388.334 11333.76  568.246  9812.19  531.925  272.101   6.8421  253.173   6.8836 18.92766 9.705580 
1 1 1   15   11    8 o   56.243   7.4293  492.830  124.414  507.921  141.469  441.316  261.374   56.958   8.3886   52.822   15.318 4.136803 17.46456 
1 1 1   15   11    9 o   91.359   6.1282  1282.60  169.894  1359.75  195.947  1048.97  340.995   93.997   6.8775   81.217   14.277 12.77998 15.84697 
1 1 1   15   11   10 o  407.977   9.7972 25561.71  1219.98 26035.45  1346.67 23393.26  2881.16  411.486   10.722  383.168   24.768 28.31781 26.98933 
1 1 1   15   11   11 o  139.037   6.0788  2957.37  257.968  3062.92  303.614  2683.35  489.192  141.438   7.0330  131.381   12.344 10.05775 14.20688 
1 1 1   15   11   12 o  370.953   25.485 21991.42  2868.05 21991.42  2868.05   0.0000   0.0000  370.953   25.485  ?   ?  0.000000 25.48549 
1 1 1   15   11   13 o  231.990   6.6722  8237.76  472.446 10163.98  1463.58  8013.70  499.169  254.383   18.987  228.763   7.1490 25.61998 20.28802 
1 1 1   15   11   14 o  212.245   9.4685  6916.13  613.389  7058.11  804.325  6718.78  948.264  213.611   12.390  207.730   15.058 5.881714 19.50007 
1 1 1   15   11   15 o  162.936   5.3912  4059.48  268.111  4209.27  299.964  3464.42  597.871  165.881   5.9246  149.216   13.266 16.66437 14.52849 
1 1 1   15   11   17 o  154.772   5.8216  3664.28  275.011  3664.28  275.011   0.0000   0.0000  154.772   5.8216  ?   ?  0.000000 5.821592 
1 1 1   15   11   18 o  283.476   7.7583 12315.54  671.272 12237.73  738.018 12688.28  1615.29  282.450   8.5607  284.292   18.720 -1.842194 20.58452 
1 1 1   15   11   19 o  265.280   6.8997 10776.43  558.665 10707.57  605.961 11166.60  1442.41  264.349   7.5102  266.934   17.806 -2.585754 19.32503 
1 1 1   15   11   20 o  117.463   4.8333  2109.27  173.285  1753.24  719.714  2131.18  178.537  103.221   23.386  118.067   4.9543 -14.84509 23.90472 
1 1 1   15   11   21 o  151.988   4.0879  3529.78  189.639  3714.71  288.273  3388.69  251.792  155.802   6.0620  148.842   5.5424 6.960526 8.213772 
1 1 1   15   11   22 o   71.957   3.4928  790.935   76.713  775.650  109.176  805.841  107.813   71.042   5.0682   72.434   4.9055 -1.391449 7.053376 
1 1 1   15   11   23 o  284.842   6.0655 12418.11  527.333 12418.11  527.333   0.0000   0.0000  284.842   6.0655  ?   ?  0.000000 6.065459 
1 1 1   15   11   24 f  177.624   5.0571  4824.97  274.169  4982.60  327.301  4454.19  501.977  180.430   5.9432  169.916   9.7194 10.51474 11.39247 
1 1 1   15   11   25 o  121.669   3.9267  2262.08  145.821  2271.01  163.181  2226.69  324.892  121.889   4.3862  120.063   8.9296 1.825806 9.948673 
1 1 1   15   11   26 o  103.662   4.2216  1642.49  133.572  1589.02  150.118  1845.71  292.670  101.936   4.8249  109.247   8.8532 -7.311157 10.08263 
1 1 1   15   11   27 o  146.431   4.2780  3277.77  191.199  3239.61  202.918  3579.87  570.887  145.559   4.5674  151.600   12.448 -6.040649 13.25910 
1 1 1   15   11   28 o  136.147   5.4425  2836.83  226.165  2741.71  250.159  3262.57  529.220  133.795   6.1258  144.721   12.092 -10.92676 13.55474 
1 1 1   15   11   29 o  294.585   4.7216 13273.33  424.539 13655.97  542.066 12666.27  682.773  298.606   5.9475  287.219   7.7884 11.38699 9.799585 
1 1 1   15   11   30 o  116.687   4.6024  2082.59  163.916  1966.15  174.675  2941.37  474.372  113.352   5.0487  137.432   11.412 -24.07968 12.47890 
1 1 1   15   11   31 o  214.790   11.272  7159.59  736.375  7806.25  1168.34  6733.42  948.480  221.827   17.395  206.908   15.124 14.91934 23.05039 
1 1 1   15   11   32 o  246.405   6.4965  9312.39  488.590   0.0000   0.0000  9312.39  488.590  ?   ?   246.405   6.4965 0.000000 6.496473 
1 1 1   15   11   33 o  210.257   4.5081  6764.08  289.305  7049.66  440.399  6547.28  383.711  214.309   6.7327  206.641   6.0837 7.668457 9.074199 
1 1 1   15   11   34 o  198.686   4.5617  6041.67  276.636  6533.54  403.019  5603.45  380.404  206.332   6.3994  191.061   6.5231 15.27078 9.138044 
1 1 1   15   11   35 o  213.042   3.9651  6942.69  257.833  7152.48  321.510  6564.62  431.594  216.109   4.8742  206.686   6.8414 9.422638 8.400191 
1 1 1   15   11   36 o  102.699   3.3165  1612.46  103.961  1617.13  140.316  1606.78  154.793  102.773   4.4731  102.407   4.9523 0.3664551 6.673387 
1 1 1   15   11   37 o  113.573   4.8617  1976.71  168.531  1616.93  707.425  1998.36  173.528   96.337   24.115  114.181   4.9792 -17.84369 24.62332 
1 1 1   15   11   38 o  107.644   6.1942  1787.23  202.655  1787.23  202.655   0.0000   0.0000  107.644   6.1942  ?   ?  0.000000 6.194199 
1 1 1   15   11   39 o  242.254   6.4005  9033.79  473.263  9105.05  516.711  8662.72  1179.10  243.016   6.9662  230.930   16.845 12.08627 18.22818 
1 1 1   15   11   40 o  131.917   3.8986  2664.99  156.972  2654.95  233.128  2673.32  212.312  131.389   5.8132  131.933   5.2724 -0.5437317 7.848034 
1 1 1   15   11   41 o  164.252   5.7951  4151.48  290.526  4139.45  319.913  4208.13  693.942  163.866   6.3963  161.529   14.220 2.336807 15.59249 
1 1 1   15   11   42 o   62.393   11.325  631.463  207.737   0.0000   0.0000  631.463  207.737  ?   ?    62.393   11.325 0.000000 11.32543 
1 1 1   15   12    0 o  102.339   4.2614  1607.72  132.587  1607.72  132.587  1607.72  132.587  102.339   4.2614  102.339   4.2614 0.000000 0.000000 
1 1 1   15   12    1 o  182.180   6.3459  5078.61  352.865  5118.10  474.204  5029.61  528.205  182.694   8.5040  180.738   9.6095 1.956009 12.83201 
1 1 1   15   12    2 o  106.767   4.7453  1742.23  154.637  1697.39  167.052  2010.74  408.770  105.368   5.1943  113.637   11.965 -8.268684 13.04397 
1 1 1   15   12    3 o  361.964   8.2393 20084.78  910.272 21531.54  1488.74 19220.96  1150.36  373.512   13.059  353.562   10.660 19.94995 16.85709 
1 1 1   15   12    4 o  213.455   6.0294  6970.21  392.822  6970.21  392.822   0.0000   0.0000  213.455   6.0294  ?   ?  0.000000 6.029369 
1 1 1   15   12    5 o  167.842   7.2186  4314.09  369.803  4375.82  440.034  4165.65  682.325  168.705   8.5738  163.625   13.791 5.079605 16.23878 
1 1 1   15   12    6 o  210.929   5.3875  6802.93  346.846  6779.80  406.811  6864.51  663.734  210.492   6.3320  211.343   10.289 -0.8503571 12.08161 
1 1 1   15   12    7 o  115.869   7.9506  2067.11  279.478  2542.20  1078.47  2032.91  289.363  123.328   29.117  114.856   8.3103 8.472687 30.27969 
1 1 1   15   12    8 o   82.060   8.0959  1042.06  200.130  1117.69  256.220  923.701  320.504   84.701   10.111   76.077   14.328 8.623604 17.53633 
1 1 1   15   12    9 o  104.319   4.2564  1662.82  135.528  1629.55  153.959  1777.35  285.655  103.251   4.8854  107.285   8.8010 -4.033867 10.06596 
1 1 1   15   12   10 o  192.885   5.3212  5688.71  313.274  5590.60  368.372  5945.06  595.472  191.140   6.3142  196.467   9.9627 -5.326508 11.79512 
1 1 1   15   12   11 o   62.742   9.7943  618.837  181.436  631.923  251.519  604.641  261.979   62.784   13.524   61.319   14.266 1.465340 19.65790 
1 1 1   15   12   12 o  303.886   9.2306 14175.16  856.166 14175.16  856.166   0.0000   0.0000  303.886   9.2306  ?   ?  0.000000 9.230597 
1 1 1   15   12   13 f   95.361   6.8314  1399.35  197.519  1604.28  263.052  1134.45  299.071  101.921   8.5344   85.014   11.848 16.90736 14.60156 
1 1 1   15   12   16 o  330.944   9.5368 16823.45  963.329 16823.45  963.329   0.0000   0.0000  330.944   9.5368  ?   ?  0.000000 9.536804 
1 1 1   15   12   17 o  135.973   3.7272  2824.43  154.685  2773.28  219.467  2874.91  218.057  134.665   5.3395  137.117   5.2103 -2.452011 7.460367 
1 1 1   15   12   18 o  324.532   6.2755 16120.10  621.616 16135.96  653.622 15969.94  2011.12  324.642   6.5964  317.788   20.850 6.853485 21.86817 
1 1 1   15   12   19 o  226.345   5.0478  7833.66  348.727  7885.30  503.761  7786.14  483.228  226.854   7.2755  225.454   7.0223 1.400116 10.11161 
1 1 1   15   12   20 o   95.979   4.0367  1407.63  118.255  1415.72  216.269  1404.18  141.240   95.823   7.4531   95.712   4.8506 0.1109390 8.892531 
1 1 1   15   12   21 o   74.767   3.6903  854.038   84.214  902.839  131.128  819.779  109.867   76.611   5.6476   73.053   4.9567 3.558205 7.514219 
1 1 1   15   12   22 o  204.654   6.0367  6410.98  377.086  6300.89  409.404  7026.85  968.333  202.829   6.6131  212.111   15.055 -9.282486 16.44320 
1 1 1   15   12   23 o  163.706   3.4699  4094.08  173.381  4310.58  222.096  3756.27  277.427  167.930   4.3330  156.663   5.8018 11.26732 7.241313 
1 1 1   15   12   24 o  154.830   3.1125  3661.57  147.091  3830.00  195.694  3442.85  223.009  158.305   4.0501  150.042   4.8696 8.262238 6.333729 
1 1 1   15   12   25 o  244.877   3.9815  9164.52  297.583  9475.06  382.380  8687.58  473.884  248.884   5.0336  238.131   6.5199 10.75249 8.236861 
1 1 1   15   12   26 o  136.241   5.1738  2839.91  215.145  3370.71  873.068  2805.59  221.991  144.560   20.350  135.402   5.3715 9.158066 21.04743 
1 1 1   15   12   27 o  170.865   4.6024  4464.81  240.026  4464.81  240.026   0.0000   0.0000  170.865   4.6024  ?   ?  0.000000 4.602446 
1 1 1   15   12   28 o  159.876   4.5347  3909.16  221.283  3909.16  221.283   0.0000   0.0000  159.876   4.5347  ?   ?  0.000000 4.534679 
1 1 1   15   12   29 o  193.828   4.5417  5746.49  268.693  5753.06  282.886  5685.90  859.059  193.916   4.7795  190.173   14.920 3.742752 15.66644 
1 1 1   15   12   30 o  105.375   13.772  1759.04  432.346   0.0000   0.0000  1759.04  432.346  ?   ?   105.375   13.772 0.000000 13.77183 
1 1 1   15   12   31 o  136.309   13.525  2925.76  555.262   0.0000   0.0000  2925.76  555.262  ?   ?   136.309   13.525 0.000000 13.52469 
1 1 1   15   12   32 o   82.318   15.235  1096.67  368.686   0.0000   0.0000  1096.67  368.686  ?   ?    82.318   15.235 0.000000 15.23495 
1 1 1   15   12   33 o   68.397   4.5678  719.208   94.809  1130.80  602.804  708.769   96.004   81.776   23.121   67.886   4.6616 13.89049 23.58623 
1 1 1   15   12   34 o  206.157   4.4118  6505.40  277.609  6465.84  408.851  6539.23  378.143  205.168   6.5289  206.432   6.0015 -1.264664 8.868176 
1 1 1   15   12   35 o  175.380   4.1686  4707.63  223.144  4549.66  334.167  4834.75  299.773  172.084   6.3622  177.538   5.5320 -5.454498 8.430947 
1 1 1   15   12   36 o   73.557   3.8718  830.248   86.621  752.940  156.788  864.210  103.920   69.492   7.5114   74.973   4.5630 -5.480194 8.788788 
1 1 1   15   12   37 o  235.046   4.2089  8460.87  301.954  8516.72  387.301  8374.30  482.174  235.558   5.3868  233.193   6.7744 2.365128 8.655105 
1 1 1   15   12   38 o   71.469   5.0651  787.691  109.774  779.993  116.180  851.774  335.209   71.067   5.3963   71.548   15.774 -0.4808655 16.67170 
1 1 1   15   12   39 o   89.152   3.7061  1216.87  100.849  1071.80  172.349  1292.40  124.362   83.075   6.8583   91.814   4.4377 -8.738686 8.168871 
1 1 1   15   12   40 o   92.149   2.8972  1298.62   81.488  1522.38  182.245  1242.71   91.102   99.243   6.0452   90.114   3.3122 9.129227 6.893141 
1 1 1   15   12   41 o   80.028   4.6424  986.314  112.910   0.0000   0.0000  986.314  112.910  ?   ?    80.028   4.6424 0.000000 4.642446 
1 1 1   15   13    0 o  356.093   15.624 19640.34  1690.67 19640.34  1690.67 19640.34  1690.67  356.093   15.624  356.093   15.624 0.000000 0.000000 
1 1 1   15   13    1 o  249.333   5.3655  9505.95  408.322  9018.89  576.459  9996.38  578.456  242.599   7.7851  255.456   7.4189 -12.85686 10.75392 
1 1 1   15   13    2 o  175.374   6.6789  4708.01  357.508  4802.25  502.591  4611.49  508.648  176.621   9.3564  173.016   9.6707 3.605255 13.45599 
1 1 1   15   13    3 o  301.876   6.9059 13952.56  636.309 13742.33  682.132 15361.44  1765.88  299.512   7.4617  313.097   18.561 -13.58539 20.00487 
1 1 1   15   13    4 o  120.720   8.7386  2247.15  319.811  2247.15  319.811   0.0000   0.0000  120.720   8.7386  ?   ?  0.000000 8.738649 
1 1 1   15   13    5 o  260.175   6.4891 10360.21  515.312 11245.92  869.727  9881.08  639.685  270.434   10.537  253.862   8.2556 16.57120 13.38575 
1 1 1   15   13    6 o  186.430   3.7642  5309.33  214.193  5549.18  274.139  4933.43  343.192  190.542   4.7137  179.555   6.2621 10.98697 7.837965 
1 1 1   15   13    7 o  425.627   9.1915 27807.87  1194.08 28864.99  1431.46 25389.43  2165.12  433.156   10.827  403.606   17.576 29.55020 20.64287 
1 1 1   15   13    8 o   95.823   6.1036  1410.55  177.585  1698.64  276.259  1207.67  231.829  104.870   8.7096   88.302   8.7153 16.56765 12.32124 
1 1 1   15   13    9 o  216.178   5.3286  7146.15  351.593  7549.75  424.065  6258.61  628.857  222.116   6.2551  201.514   10.258 20.60175 12.01479 
1 1 1   15   13   10 o  111.356   3.9712  1894.49  134.974  1918.98  251.932  1884.64  159.850  111.674   7.4337  111.040   4.7165 0.6333313 8.803672 
1 1 1   15   13   11 o   95.287   4.4446  1387.59  129.267  1334.80  151.722  1527.40  246.905   93.275   5.3517   99.471   8.2056 -6.196426 9.796554 
1 1 1   15   13   12 o  287.498   5.5962 12642.46  491.074 12228.11  732.412 12980.86  661.896  282.335   8.4991  291.069   7.4504 -8.734009 11.30234 
1 1 1   15   13   13 o  321.054   9.2850 15829.01  909.870 15829.01  909.870   0.0000   0.0000  321.054   9.2850  ?   ?  0.000000 9.285038 
1 1 1   15   13   14 o  125.267   11.667  2439.00  440.965   0.0000   0.0000  2439.00  440.965  ?   ?   125.267   11.667 0.000000 11.66742 
1 1 1   15   13   15 o   75.046   11.925  889.375  264.007  889.375  264.007   0.0000   0.0000   75.046   11.925  ?   ?  0.000000 11.92466 
1 1 1   15   13   16 o  145.525   6.0870  3241.06  270.371  3241.06  270.371   0.0000   0.0000  145.525   6.0870  ?   ?  0.000000 6.087010 
1 1 1   15   13   17 o  255.934   6.8137 10032.39  532.265 10238.36  588.385  9104.54  1248.80  258.456   7.4586  240.969   17.090 17.48625 18.64659 
1 1 1   15   13   18 o  102.262   5.6577  1604.86  175.906  1699.20  201.325  1300.42  361.655  105.166   6.3010   90.717   13.470 14.44920 14.87132 
1 1 1   15   13   19 o  166.566   5.5308  4244.63  281.185  5450.28  980.400  4136.57  293.516  185.925   17.482  164.408   5.8491 21.51668 18.43407 
1 1 1   15   13   20 o  152.033   10.956  3580.73  505.012  4083.52  956.432  3386.36  594.667  159.796   20.051  147.286   13.374 12.51004 24.10207 
1 1 1   15   13   21 o  164.077   4.0396  4114.24  202.301  4167.20  213.282  3639.25  638.722  165.118   4.2320  152.569   13.867 12.54895 14.49884 
1 1 1   15   13   22 o  127.253   3.2290  2473.57  125.418  2713.09  166.265  2157.35  191.040  133.234   4.0885  118.749   5.2708 14.48502 6.670626 
1 1 1   15   13   23 o  144.212   4.4442  3179.67  195.622  3179.67  195.622   0.0000   0.0000  144.212   4.4442  ?   ?  0.000000 4.444237 
1 1 1   15   13   24 o  291.252   7.9594 13024.04  707.562 13024.04  707.562   0.0000   0.0000  291.252   7.9594  ?   ?  0.000000 7.959361 
1 1 1   15   13   25 o  239.406   6.1400  8779.78  448.661  8961.22  487.923  7786.50  1141.60  241.795   6.6113  222.128   16.966 19.66669 18.20899 
1 1 1   15   13   26 o  165.480   4.4584  4187.67  225.184  4128.68  238.061  4689.19  694.086  164.287   4.7475  173.243   13.226 -8.955704 14.05245 
1 1 1   15   13   27 o  195.757   4.1787  5859.35  249.678  6005.00  263.614  4589.99  778.231  198.159   4.3585  170.701   15.092 27.45834 15.70902 
1 1 1   15   13   28 o  107.127   3.2755  1753.56  107.100  2187.27  178.711  1510.49  133.786  119.553   4.8975   99.376   4.4107 20.17711 6.590913 
1 1 1   15   13   29 o  290.120   7.4827 12932.56  662.598 14587.10  1808.88 12676.15  712.091  301.544   19.763  287.055   8.1274 14.48834 21.36890 
1 1 1   15   13   30 o  125.917   4.9107  2427.20  188.731   0.0000   0.0000  2427.20  188.731  ?   ?   125.917   4.9107 0.000000 4.910684 
1 1 1   15   13   31 o  186.234   10.187  5384.06  576.853   0.0000   0.0000  5384.06  576.853  ?   ?   186.234   10.187 0.000000 10.18680 
1 1 1   15   13   32 o  184.427   4.5429  5206.66  255.727  5614.44  303.755  4214.24  473.869  191.422   5.1989  164.826   9.4588 26.59601 10.79344 
1 1 1   15   13   33 o  229.864   4.3871  8088.39  307.799  8322.91  340.595  7043.54  718.910  233.104   4.7871  212.468   11.124 20.63608 12.11067 
1 1 1   15   13   34 o   76.422   4.4309  897.305  102.910  890.847  118.935  916.541  205.279   76.055   5.1539   76.464   8.9658 -0.4094238 10.34159 
1 1 1   15   13   35 o   59.008   6.5186  542.023  115.445  554.189  139.223  515.247  206.543   59.414   7.8710   56.257   12.366 3.157215 14.65826 
1 1 1   15   13   36 o  111.152   2.7158  1888.35   92.136  1965.55  147.485  1838.94  117.993  113.276   4.2657  109.632   3.5262 3.644203 5.534468 
1 1 1   15   13   37 o   74.186   4.6632  847.256  105.053  892.324  111.170  471.234  321.116   76.121   4.8096   53.981   17.254 22.13986 17.91152 
1 1 1   15   13   38 o  183.210   9.4298  5244.76  525.525  5132.71  692.970  5396.43  806.231  179.534   12.728  182.955   14.558 -3.421555 19.33785 
1 1 1   15   13   39 f   99.484   4.5436  1518.45  137.965  1282.18  630.167  1530.34  141.395   84.292   23.573   99.862   4.6389 -15.56995 24.02481 
1 1 1   15   13   40 o  141.542   3.8230  3069.76  165.160   0.0000   0.0000  3069.76  165.160  ?   ?   141.542   3.8230 0.000000 3.822978 
1 1 1   15   14    0 o  154.997   4.8775  3680.65  230.230  3680.65  230.230  3680.65  230.230  154.997   4.8775  154.997   4.8775 0.000000 0.000000 
1 1 1   15   14    1 f  145.395   6.7724  3236.72  300.544  3654.68  423.313  2811.90  426.774  154.041   9.0431  134.820   10.453 19.22098 13.82170 
1 1 1   15   14    2 o  327.248   7.7835 16413.92  777.439 16171.81  841.079 17834.66  2037.42  324.693   8.4868  336.584   19.921 -11.89026 21.65334 
1 1 1   15   14    3 o   78.533   4.7925  946.275  114.327  916.932  120.106  1229.36  373.050   77.272   5.1215   88.013   14.384 -10.74150 15.26832 
1 1 1   15   14    4 o  313.982   7.5542 15106.63  723.949 16934.18  1430.62 14477.56  839.350  330.740   14.172  307.121   8.9540 23.61798 16.76336 
1 1 1   15   14    5 o  247.111   9.4955  9379.49  716.187  9595.58  881.271  8959.17  1229.05  249.551   11.570  239.272   16.939 10.27899 20.51288 
1 1 1   15   14    6 o  179.751   5.5536  4941.93  304.691  5408.49  368.422  3932.26  541.979  187.974   6.4214  159.414   11.210 28.56015 12.91906 
1 1 1   15   14    7 o  334.031   12.029 17207.20  1226.37 18541.29  2116.70 16533.09  1504.63  342.900   20.315  326.445   15.101 16.45535 25.31271 
1 1 1   15   14    8 o  244.671   6.2832  9162.32  469.224  9129.42  557.955  9241.79  867.198  244.083   7.4894  244.880   11.602 -0.7967224 13.80966 
1 1 1   15   14    9 f  184.130   4.4073  5181.56  247.694  4823.93  353.732  5525.61  346.951  177.510   6.5288  190.030   5.9818 -12.51999 8.854745 
1 1 1   15   14   10 o  138.298   4.8256  2923.96  203.698  2784.89  240.931  3272.50  381.432  134.914   5.8509  145.782   8.6105 -10.86807 10.41024 
1 1 1   15   14   11 o  170.463   5.2241  4443.67  271.807  4283.08  322.491  4837.54  505.058  167.275   6.3164  177.211   9.3709 -9.935715 11.30090 
1 1 1   15   14   12 o   82.755   4.0132  1046.43  101.368  995.562  388.986  1050.14  104.995   78.501   16.745   82.793   4.1682 -4.291771 17.25627 
1 1 1   15   14   13 o  186.583   10.392  5373.65  589.483  4966.08  864.770  5727.41  805.674  177.926   16.098  191.824   13.854 -13.89783 21.23856 
1 1 1   15   14   14 o   43.399   17.587  130.515  362.569  130.515  362.569   0.0000   0.0000   43.399   17.587  ?   ?  0.000000 17.58730 
1 1 1   15   14   15 o  371.581   7.3712 21163.51  836.009 22062.67  909.559 16268.73  2122.17  379.280   7.8569  319.742   21.877 59.53830 23.24480 
1 1 1   15   14   16 o  111.932   6.8667  1926.58  233.464  1926.58  233.464   0.0000   0.0000  111.932   6.8667  ?   ?  0.000000 6.866748 
1 1 1   15   14   17 o   68.067   25.773  572.165  735.081  572.165  735.081   0.0000   0.0000   68.067   25.773  ?   ?  0.000000 25.77312 
1 1 1   15   14   18 o   89.122   26.129  1312.40  756.829  1312.40  756.829   0.0000   0.0000   89.122   26.129  ?   ?  0.000000 26.12948 
1 1 1   15   14   19 o  195.140   6.0932  5830.49  362.921  5883.05  403.601  5608.47  829.489  195.945   6.7484  189.439   14.455 6.506592 15.95260 
1 1 1   15   14   20 o  132.768   3.8732  2693.79  156.955  2718.75  165.920  2481.33  484.059  133.371   4.0758  125.963   12.767 7.408890 13.40160 
1 1 1   15   14   21 f  163.870   3.5125  4102.91  175.686  4134.25  224.378  4053.27  282.439  164.436   4.4706  162.723   5.6867 1.712814 7.233576 
1 1 1   15   14   22 o   69.995   5.5361  754.569  117.309  728.492  136.605  827.812  228.940   68.632   6.6026   72.502   10.664 -3.870018 12.54267 
1 1 1   15   14   23 f  173.902   5.1781  4627.78  274.847  4735.12  300.178  4071.12  683.597  175.867   5.5921  161.156   14.038 14.71188 15.11059 
1 1 1   15   14   24 o  115.829   3.1906  2049.68  112.800  2253.61  152.457  1803.01  167.673  121.411   4.1141  108.547   5.0609 12.86381 6.522122 
1 1 1   15   14   25 o   28.346   9.4698  116.749   96.211  116.749   96.211   0.0000   0.0000   28.346   9.4698  ?   ?  0.000000 9.469816 
1 1 1   15   14   26 f  218.269   5.1808  7293.16  345.151  7144.78  364.002  8615.34  1086.61  215.992   5.5214  233.992   15.299 -18.00101 16.26446 
1 1 1   15   14   27 o   85.578   8.2557  1137.10  212.964  1141.51  562.484  1136.36  230.093   82.618   21.938   85.420   8.9586 -2.801994 23.69624 
1 1 1   15   14   28 f  193.849   8.7962  5791.88  520.443  5361.35  987.563  5957.43  612.382  182.923   17.918  195.991   10.273 -13.06792 20.65391 
1 1 1   15   14   29 o  180.187   13.832  5111.86  754.929   0.0000   0.0000  5111.86  754.929  ?   ?   180.187   13.832 0.000000 13.83226 
1 1 1   15   14   30 o  136.134   5.0710  2838.90  210.707   0.0000   0.0000  2838.90  210.707  ?   ?   136.134   5.0710 0.000000 5.071018 
1 1 1   15   14   31 f  342.470   5.9525 17998.64  622.212 19207.40  890.014 16843.10  870.202  352.880   8.2633  330.289   8.6319 22.59119 11.94958 
1 1 1   15   14   32 o  135.770   3.1055  2817.77  128.691  2802.71  176.220  2834.99  188.381  135.309   4.2669  136.059   4.5362 -0.7497711 6.227639 
1 1 1   15   14   33 o  129.297   4.0162  2558.89  158.499  2514.92  177.859  2728.53  349.341  128.128   4.5479  132.524   8.6845 -4.396088 9.803288 
1 1 1   15   14   34 o   76.979   7.9431  925.021  183.947  1037.42  443.336  901.646  202.171   78.295   18.791   75.772   8.9120 2.523315 20.79703 
1 1 1   15   14   35 o   98.432   5.1951  1491.31  155.529  1479.08  195.331  1512.48  257.078   97.776   6.5835   98.402   8.6471 -0.6258392 10.86807 
1 1 1   15   14   36 o   46.947   6.9595  347.259   96.705  337.134  102.646  427.214  288.443   46.120   7.5534   51.448   16.343 -5.327839 18.00383 
1 1 1   15   14   37 o   55.700   7.7064  489.145  127.505  493.211  139.948  469.280  309.322   55.749   8.4928   53.551   16.915 2.198254 18.92705 
1 1 1   15   14   38 o  196.459   4.2560  5918.70  255.206  6343.08  389.588  5599.71  337.766  202.803   6.2938  190.698   5.8030 12.10434 8.560775 
1 1 1   15   14   39 o  108.580   3.0440  1803.98  100.882  1680.02  200.205  1846.17  116.793  104.145   6.3282  109.798   3.4850 -5.652786 7.224386 
1 1 1   15   15    0 o   33.402   19.792  193.981  349.416  193.981  349.416  193.981  349.416   33.402   19.792   33.402   19.792 0.000000 0.000000 
1 1 1   15   15    1 o  130.502   7.5197  2618.83  298.257  2821.25  371.200  2250.10  501.009  135.248   9.0442  119.766   13.968 15.48249 16.64035 
1 1 1   15   15    2 o  126.166   3.7652  2431.88  144.995  2573.60  198.211  2268.75  212.658  129.737   5.0055  121.775   5.7214 7.961479 7.601973 
1 1 1   15   15    3 o  156.654   4.9869  3752.29  238.445  3729.04  273.742  3825.40  485.450  156.120   5.7447  157.384   10.160 -1.264328 11.67159 
1 1 1   15   15    4 o  280.533   5.3174 12036.36  455.302 12306.60  645.048 11768.04  642.747  283.369   7.4580  277.076   7.6002 6.292328 10.64822 
1 1 1   15   15    5 o  168.655   7.5771  4360.13  390.050  4841.28  665.383  4108.23  481.446  176.642   12.420  163.197   9.7092 13.44482 15.76487 
1 1 1   15   15    6 o  109.364   7.9703  1843.89  264.219  1919.34  383.496  1775.70  364.549  111.005   11.485  106.750   11.363 4.255051 16.15630 
1 1 1   15   15    7 o   94.114   4.1207  1353.55  118.370  2041.47  267.197  1185.58  132.033  115.146   7.6461   87.918   4.9403 27.22801 9.103299 
1 1 1   15   15    8 o  240.619   5.9811  8860.73  439.264  9691.67  988.395  8656.21  490.350  250.020   12.997  237.734   6.7577 12.28610 14.64874 
1 1 1   15   15    9 o  305.136   11.125 14349.44  1036.14 15290.85  1818.87 13897.17  1260.69  311.441   19.228  299.505   13.791 11.93530 23.66236 
1 1 1   15   15   10 o  240.991   9.3528  8925.66  687.951  9366.05  1224.17  8722.38  831.707  244.545   16.497  237.814   11.458 6.731384 20.08605 
1 1 1   15   15   11 o   95.775   7.2411  1413.80  210.113  1437.68  449.798  1407.14  237.633   94.823   16.118   95.409   8.2411 -0.5861053 18.10283 
1 1 1   15   15   12 o   50.735   4.2308  396.136   64.919  201.305  370.921  402.293   65.937   46.014   18.071   51.127   4.2642 -5.113510 18.56694 
1 1 1   15   15   13 o  163.076   9.6985  4104.84  480.562  4235.11  718.778  3999.53  646.231  164.541   14.459  160.159   13.341 4.382034 19.67335 
1 1 1   15   15   14 o  119.385   5.3464  2180.50  194.817  2320.18  228.606  1809.97  372.339  123.105   6.0841  107.701   11.505 15.40415 13.01432 
1 1 1   15   15   15 o   31.205   12.321   84.417  173.313  109.750  345.359   75.890  200.370   41.868   17.090   32.577   13.119 9.290882 21.54466 
1 1 1   15   15   16 o   46.518   9.5460  344.964  130.995  624.305  362.311  302.957  140.500   62.338   18.022   43.479   10.667 18.85948 20.94286 
1 1 1   15   15   17 o  312.939   22.439 15706.91  2129.09 15706.91  2129.09   0.0000   0.0000  312.939   22.439  ?   ?  0.000000 22.43940 
1 1 1   15   15   18 o   77.775   8.4825  940.222  198.098  940.222  198.098   0.0000   0.0000   77.775   8.4825  ?   ?  0.000000 8.482502 
1 1 1   15   15   19 o   71.143   8.9435  790.394  189.911  790.394  189.911   0.0000   0.0000   71.143   8.9435  ?   ?  0.000000 8.943537 
1 1 1   15   15   20 o  255.402   8.0199 10019.48  625.188 10019.48  625.188   0.0000   0.0000  255.402   8.0199  ?   ?  0.000000 8.019887 
1 1 1   15   15   21 f   41.368   14.331  242.071  220.673  114.795  702.604  256.000  232.436   56.396   23.805   42.484   14.709 13.91241 27.98270 
1 1 1   15   15   22 o  297.890   5.6717 13589.77  515.686 14349.36  738.317 12866.23  720.588  305.599   7.9154  289.313   8.1602 16.28516 11.36851 
1 1 1   15   15   23 o   53.167   3.7099  434.167   59.827  607.535  104.532  349.712   72.959   62.747   5.5140   47.528   5.1096 15.21951 7.517416 
1 1 1   15   15   24 o  208.663   5.5893  6669.32  355.973  6912.12  391.117  5497.46  859.234  212.363   6.0341  186.690   15.211 25.67287 16.36436 
1 1 1   15   15   25 o  237.233   18.047  8980.38  1296.96  8980.38  1296.96   0.0000   0.0000  237.233   18.047  ?   ?  0.000000 18.04691 
1 1 1   15   15   26 o  230.979   17.874  8525.68  1250.31  8525.68  1250.31   0.0000   0.0000  230.979   17.874  ?   ?  0.000000 17.87404 
1 1 1   15   15   27 o   38.545   4.8061  230.965   55.315  346.688  120.835  200.286   62.217   46.668   8.8059   35.672   5.9219 10.99591 10.61195 
1 1 1   15   15   28 o  120.690   8.6288  2258.35  315.764   0.0000   0.0000  2258.35  315.764  ?   ?   120.690   8.6288 0.000000 8.628788 
1 1 1   15   15   29 o  124.631   5.7069  2382.62  217.091  2416.58  247.881  2270.82  449.750  125.255   6.5062  119.928   12.469 5.326660 14.06431 
1 1 1   15   15   30 o  116.150   4.8266  2066.95  171.111  2114.38  190.924  1873.37  385.731  117.425   5.3270  108.934   11.789 8.491364 12.93701 
1 1 1   15   15   31 o   73.178   4.0652  822.208   90.442  684.977  181.219  867.726  104.368   65.867   9.2705   75.124   4.5735 -9.256523 10.33726 
1 1 1   15   15   32 o   19.973   7.1112   52.812   54.594   74.102  157.928   49.923   58.180   29.444   11.719   20.009   7.3122 9.435379 13.81276 
1 1 1   15   15   33 o  124.566   3.6603  2374.76  139.166  2426.62  215.613  2337.73  182.201  125.678   5.6208  123.461   4.8351 2.216469 7.414281 
1 1 1   15   15   34 o   57.287   5.2438  508.121   90.672  489.128  105.717  560.971  176.348   56.018   6.2918   59.166   10.130 -3.147141 11.92451 
1 1 1   15   15   35 o   88.434   4.2203  1198.71  113.916  1213.50  123.939  1118.20  289.151   88.827   4.5871   83.498   11.664 5.328575 12.53370 
1 1 1   15   15   36 o   93.867   6.1757  1363.75  175.950  1177.85  192.413  2312.73  434.733   86.951   7.3182  120.333   11.996 -33.38263 14.05232 
1 1 1   15   15   37 o   37.510   13.131  204.631  185.485  125.286  510.745  216.686  199.077   47.715   20.227   38.638   13.598 9.077511 24.37320 
1 1 1   15   16    0 o   63.778   23.331  840.604  418.964  840.604  418.964  840.604  418.964   63.778   23.331   63.778   23.331 0.000000 0.000000 
1 1 1   15   16    1 o  165.223   10.338  4218.86  518.728  3877.07  738.925  4550.95  728.373  157.086   15.619  170.735   14.103 -13.64893 21.04385 
1 1 1   15   16    2 o  287.701   7.0987 12684.61  623.360 12547.22  722.122 13086.36  1234.85  285.925   8.2745  290.507   13.927 -4.581390 16.19924 
1 1 1   15   16    3 o  321.568   6.2425 15832.02  612.698 15942.87  867.252 15721.56  865.722  322.174   8.8194  319.919   8.8659 2.254822 12.50538 
1 1 1   15   16    4 o  123.353   7.3847  2340.93  276.754  1933.07  456.879  2577.33  347.832  110.855   13.802  129.232   8.8720 -18.37663 16.40736 
1 1 1   15   16    5 o  135.036   7.5191  2804.59  308.679  3708.23  515.976  2300.93  385.216  154.717   10.998  121.793   10.464 32.92435 15.18067 
1 1 1   15   16    6 o  206.277   6.2436  6515.09  393.103  6453.37  431.779  6814.03  950.280  205.224   6.8931  208.815   15.010 -3.590759 16.51710 
1 1 1   15   16    7 o  248.080   5.2218  9414.12  395.392  9072.42  546.666  9788.96  572.571  243.257   7.3627  252.671   7.4243 -9.413910 10.45613 
1 1 1   15   16    8 o   75.854   5.3740  884.681  123.616  832.589  135.156  1151.22  305.728   73.496   6.0796   85.512   12.048 -12.01626 13.49461 
1 1 1   15   16    9 o  128.085   4.6796  2508.48  182.947  2451.96  218.333  2641.69  335.198  126.578   5.6513  130.894   8.4349 -4.316299 10.15307 
1 1 1   15   16   10 o  170.193   4.8525  4429.73  252.074  4538.93  301.209  4174.48  460.499  172.208   5.7306  164.521   9.2074 7.686493 10.84505 
1 1 1   15   16   11 o  131.432   4.5845  2641.26  183.914  2648.56  220.627  2624.64  332.951  131.560   5.4944  130.462   8.4061 1.097183 10.04247 
1 1 1   15   16   12 o  258.366   7.8455 10244.59  618.686 10244.59  618.686   0.0000   0.0000  258.366   7.8455  ?   ?  0.000000 7.845458 
1 1 1   15   16   13 o  262.147   12.379 10637.45  990.450 10838.30  1436.01 10455.20  1367.89  261.970   18.070  257.544   17.505 4.425903 25.15849 
1 1 1   15   16   14 o   59.733   8.4114  558.748  149.108  672.735  397.055  540.034  160.883   64.636   18.919   58.539   9.3165 6.097218 21.08842 
1 1 1   15   16   15 o  360.395   7.8870 19942.04  867.574 22288.87  1774.80 19205.19  994.492  377.829   15.390  353.283   9.2228 24.54575 17.94184 
1 1 1   15   16   16 o   68.993   12.681  760.356  257.201  1184.95  880.328  720.730  268.935   85.878   28.645   66.940   13.626 18.93735 31.72039 
1 1 1   15   16   17 o   67.085   4.1278  690.609   84.111  847.954  212.329  661.323   91.605   73.570   9.6915   65.597   4.6045 7.973816 10.72967 
1 1 1   15   16   18 o  157.637   4.0451  3798.88  194.627  3838.45  205.964  3468.79  594.831  158.441   4.2590  148.835   13.232 9.606003 13.90051 
1 1 1   15   16   19 o  136.472   4.3659  2848.26  181.858  2848.26  181.858   0.0000   0.0000  136.472   4.3659  ?   ?  0.000000 4.365875 
1 1 1   15   16   20 o  112.679   24.940  2143.83  835.062  2143.83  835.062   0.0000   0.0000  112.679   24.940  ?   ?  0.000000 24.94002 
1 1 1   15   16   21 o  148.170   21.071  3583.50  926.101  3583.50  926.101   0.0000   0.0000  148.170   21.071  ?   ?  0.000000 21.07139 
1 1 1   15   16   22 o  260.355   6.3217 10395.56  502.360 10974.88  555.143  7776.36  1180.41  267.409   6.8016  220.918   17.653 46.49084 18.91831 
1 1 1   15   16   23 o  102.486   8.9108  1631.12  275.966   0.0000   0.0000  1631.12  275.966  ?   ?   102.486   8.9108 0.000000 8.910794 
1 1 1   15   16   24 o   24.154   9.7701   38.928  111.668   38.928  111.668   0.0000   0.0000   24.154   9.7701  ?   ?  0.000000 9.770148 
1 1 1   15   16   25 o   97.938   5.8856  1476.29  175.122  1476.29  175.122   0.0000   0.0000   97.938   5.8856  ?   ?  0.000000 5.885611 
1 1 1   15   16   26 o  220.554   5.8515  7461.98  393.914  7748.79  434.479  6137.61  933.626  224.653   6.3364  196.363   15.709 28.29005 16.93873 
1 1 1   15   16   27 o   79.248   4.8136  965.512  115.881   0.0000   0.0000  965.512  115.881  ?   ?    79.248   4.8136 0.000000 4.813553 
1 1 1   15   16   28 o  273.124   5.5188 11443.76  460.063 11705.52  700.961 11245.67  609.782  275.312   8.3416  270.192   7.3941 5.120300 11.14700 
1 1 1   15   16   29 o  182.186   7.7733  5121.83  432.254  5136.29  702.937  5113.04  548.138  180.316   12.856  181.136   9.9526 -0.8203278 16.25860 
1 1 1   15   16   30 o   57.785   5.4747  517.115   95.407  512.474  110.229  530.975  190.490   57.369   6.4044   57.331   11.288 0.3805542E-01 12.97807 
1 1 1   15   16   31 o  152.872   3.2469  3574.51  151.502  3678.62  201.715  3439.77  229.471  154.957   4.2649  149.731   5.0211 5.226059 6.587935 
1 1 1   15   16   32 o   99.371   3.1475  1510.37   95.465  1535.06  136.475  1486.72  133.586  100.065   4.4684   98.480   4.4442 1.585716 6.302209 
1 1 1   15   16   33 o  144.554   3.8015  3200.17  167.726  3202.86  255.100  3198.11  222.606  144.281   5.7928  144.314   5.0537 -0.3271484E-01 7.687412 
1 1 1   15   16   34 o  223.606   6.0287  7702.50  411.456  7707.45  1179.87  7701.81  439.016  215.167   18.135  223.450   6.4370 -8.283325 19.24320 
1 1 1   15   16   35 o  117.202   5.7889  2115.69  207.084  2115.69  207.084   0.0000   0.0000  117.202   5.7889  ?   ?  0.000000 5.788857 
1 1 1   15   17    0 o  106.117   17.258  1870.35  514.614  1870.35  514.614  1870.35  514.614  106.117   17.258  106.117   17.258 0.000000 0.000000 
1 1 1   15   17    1 o  420.759   18.355 27851.11  2357.30 28475.38  3349.46 27238.44  3318.21  418.175   26.377  408.594   26.755 9.581055 37.57092 
1 1 1   15   17    2 o  127.796   7.9632  2516.44  309.069  2549.34  375.821  2447.67  543.242  128.344   9.6647  124.643   14.553 3.700607 17.47014 
1 1 1   15   17    3 o  175.167   7.9056  4709.59  422.674  5764.15  719.260  4153.31  522.391  192.633   12.297  163.813   10.503 28.82021 16.17225 
1 1 1   15   17    4 o  286.410   7.0128 12575.83  613.049 12096.45  1594.70 12658.96  664.080  276.358   19.021  287.247   7.5744 -10.88858 20.47395 
1 1 1   15   17    5 o  156.403   5.4145  3743.37  258.479  4076.22  776.763  3701.92  274.099  160.774   16.043  155.506   5.7749 5.268707 17.05100 
1 1 1   15   17    6 o  178.319   10.554  4920.04  571.877  4980.47  845.542  4869.10  776.388  177.949   15.730  176.308   14.558 1.640396 21.43236 
1 1 1   15   17    7 o  415.169   14.544 26833.08  1842.94 29481.24  3283.16 25614.78  2226.88  426.087   25.360  403.473   18.083 22.61456 31.14644 
1 1 1   15   17    8 o   63.645   7.6340  630.397  145.338  379.980  160.265  1789.95  344.868   48.665   11.043  107.200   10.682 -58.53464 15.36399 
1 1 1   15   17    9 o  208.420   6.1046  6653.30  388.344  6547.22  423.320  7216.82  975.677  206.674   6.7107  214.637   14.987 -7.963272 16.42097 
1 1 1   15   17   10 o  227.188   5.5615  7900.99  385.650  8086.57  451.280  7398.51  742.578  229.721   6.4362  218.562   11.169 11.15964 12.89049 
1 1 1   15   17   11 o  223.107   7.6043  7640.71  517.834  7640.71  517.834   0.0000   0.0000  223.107   7.6043  ?   ?  0.000000 7.604299 
1 1 1   15   17   12 o  164.768   4.3521  4151.23  218.874  4126.35  231.971  4353.04  660.737  164.253   4.6270  166.950   13.071 -2.696701 13.86575 
1 1 1   15   17   13 o  187.857   4.1704  5395.48  239.122  5578.97  367.967  5261.34  314.606  190.800   6.3185  185.376   5.5603 5.423935 8.416672 
1 1 1   15   17   14 o  308.682   9.7532 14689.80  918.921 15904.25  1356.56 13660.03  1249.17  319.526   13.910  296.165   13.819 23.36163 19.60710 
1 1 1   15   17   15 o  230.557   9.4741  8192.37  666.703  9449.77  1420.02  7836.82  755.102  243.246   19.284  225.119   10.989 18.12689 22.19592 
1 1 1   15   17   16 o  203.611   5.6037  6349.32  348.248  7824.85  1269.68  6229.28  362.136  221.257   18.985  201.640   5.8841 19.61687 19.87572 
1 1 1   15   17   17 o   50.636   5.9815  398.339   90.660  399.230  103.679  395.442  186.873   50.547   6.9004   49.507   12.395 1.039810 14.18634 
1 1 1   15   17   18 o  134.796   3.3405  2776.68  137.440  2852.83  182.986  2678.13  208.180  136.565   4.3900  132.260   5.1570 4.305771 6.772454 
1 1 1   15   17   19 o  203.699   3.5865  6342.52  222.987  6773.34  249.654  4642.90  495.868  210.474   3.8862  173.218   9.4144 37.25623 10.18492 
1 1 1   15   17   20 f  239.104   6.7447  8776.49  492.231  9154.65  1286.16  8711.59  532.794  239.511   17.719  238.092   7.3316 1.419449 19.17609 
1 1 1   15   17   21 o  150.193   9.9635  3503.60  454.158  3761.89  749.202  3353.55  571.037  153.522   16.235  146.054   12.944 7.467499 20.76321 
1 1 1   15   17   23 o   47.410   17.086  308.974  316.056   0.0000   0.0000  308.974  316.056  ?   ?    47.410   17.086 0.000000 17.08569 
1 1 1   15   17   24 o  132.295   12.899  2764.72  514.233   0.0000   0.0000  2764.72  514.233  ?   ?   132.295   12.899 0.000000 12.89915 
1 1 1   15   17   25 o   94.099   13.727  1419.92  382.641   0.0000   0.0000  1419.92  382.641  ?   ?    94.099   13.727 0.000000 13.72678 
1 1 1   15   17   26 o  166.516   6.2073  4260.58  315.486  4231.25  354.293  4372.87  693.298  165.789   7.0015  165.965   13.812 -0.1768188 15.48496 
1 1 1   15   17   27 o  111.251   6.7139  1911.78  226.913  1761.07  259.214  2405.99  469.391  106.479   8.0350  123.105   12.673 -16.62620 15.00585 
1 1 1   15   17   28 o  190.527   3.7215  5555.43  216.418  5808.34  273.152  5128.95  354.707  194.672   4.5971  182.575   6.3652 12.09657 7.851681 
1 1 1   15   17   29 o   87.544   3.6795  1173.04   98.317  1225.91  157.577  1139.33  125.809   89.113   5.8255   86.056   4.8090 3.057182 7.553998 
1 1 1   15   17   30 o  114.176   4.2030  1997.61  146.473  2005.83  155.514  1933.04  435.932  114.382   4.4544  109.623   13.301 4.759369 14.02716 
1 1 1   15   17   31 o   37.584   11.542  223.668  145.143  240.164  176.201  188.850  255.992   39.364   12.800   39.709   15.168 -0.3447609 19.84703 
1 1 1   15   17   32 o   82.643   3.7561  1046.16   94.746  1045.98  155.362  1046.27  119.550   82.141   6.2436   82.419   4.7727 -0.2782288 7.858833 
1 1 1   15   17   33 o   95.964   5.9707  1424.60  174.016  1424.60  174.016   0.0000   0.0000   95.964   5.9707  ?   ?  0.000000 5.970670 
1 1 1   15   17   34 o   66.619   7.0426  694.426  141.031  694.426  141.031   0.0000   0.0000   66.619   7.0426  ?   ?  0.000000 7.042644 
1 1 1   15   18    0 o  258.513   7.4598 10255.04  587.501 10255.04  587.501 10255.04  587.501  258.513   7.4598  258.513   7.4598 0.000000 0.000000 
1 1 1   15   18    1 o  175.818   9.9373  4780.29  531.087   0.0000   0.0000  4780.29  531.087  ?   ?   175.818   9.9373 0.000000 9.937263 
1 1 1   15   18    2 o  214.196   10.935  7106.10  712.510   0.0000   0.0000  7106.10  712.510  ?   ?   214.196   10.935 0.000000 10.93484 
1 1 1   15   18    3 o  246.122   17.186  9569.79  1282.94   0.0000   0.0000  9569.79  1282.94  ?   ?   246.122   17.186 0.000000 17.18599 
1 1 1   15   18    4 o  168.748   5.4353  4359.18  279.950  4345.64  305.613  4429.80  697.927  168.435   5.9446  168.202   13.714 0.2330475 14.94680 
1 1 1   15   18    5 o   42.327   6.7355  281.437   84.100  284.287   88.931  257.320  258.694   42.482   7.1097   43.481   15.480 -0.9990044 17.03466 
1 1 1   15   18    6 o  126.089   8.9138  2458.66  340.841   0.0000   0.0000  2458.66  340.841  ?   ?   126.089   8.9138 0.000000 8.913842 
1 1 1   15   18    7 o  264.397   7.5109 10733.04  606.132   0.0000   0.0000 10733.04  606.132  ?   ?   264.397   7.5109 0.000000 7.510945 
1 1 1   15   18    8 o   82.413   4.3417  1041.53  108.828  1247.61  464.650  1029.56  111.942   87.404   18.016   81.923   4.4940 5.480797 18.56812 
1 1 1   15   18    9 o  107.174   4.5978  1757.04  150.404  1774.13  176.444  1711.63  287.656  107.648   5.3701  105.049   9.0601 2.599464 10.53203 
1 1 1   15   18   10 o  128.527   5.4429  2529.42  213.522  2529.42  213.522   0.0000   0.0000  128.527   5.4429  ?   ?  0.000000 5.442907 
1 1 1   15   18   11 o  171.751   4.6456  4512.92  243.531  4512.92  243.531   0.0000   0.0000  171.751   4.6456  ?   ?  0.000000 4.645553 
1 1 1   15   18   12 o  177.875   4.0311  4837.73  218.855  4926.20  243.542  4466.54  498.861  179.457   4.4463  169.886   9.6606 9.571152 10.63467 
1 1 1   15   18   13 o  258.664   6.7748 10266.91  534.869 10325.11  583.364  9959.87  1339.89  259.266   7.3719  250.284   17.653 8.981232 19.13014 
1 1 1   15   18   14 o  103.685   7.9374  1662.80  249.285  1618.19  940.582  1666.17  258.530   96.901   29.307  103.739   8.2326 -6.837692 30.44101 
1 1 1   15   18   15 o  155.233   8.3944  3720.81  396.253  4019.00  1082.74  3674.70  425.792  155.548   23.542  154.109   9.0924 1.438644 25.23674 
1 1 1   15   18   16 o  258.322   5.8669 10229.50  462.582 10630.45  543.214  9171.60  882.372  263.142   6.7634  242.916   11.901 20.22673 13.68846 
1 1 1   15   18   17 o  181.297   3.8875  5026.35  215.118  5476.74  331.086  4697.32  282.990  189.019   5.7388  175.110   5.2947 13.90842 7.808159 
1 1 1   15   18   18 o   27.454   10.194   90.448  113.827 -49.5824  479.412   98.813  117.178   43.751   19.078   28.219   10.367 15.53226 21.71288 
1 1 1   15   18   19 o  139.520   4.4689  2979.38  190.307  4031.91  694.117  2893.82  197.891  159.553   14.409  137.480   4.7159 22.07257 15.16079 
1 1 1   15   18   20 o   52.496   7.1898  431.587  112.175  429.693  129.646  437.231  223.746   52.139   8.4348   51.867   13.866 0.2711411 16.23001 
1 1 1   15   18   21 o   54.984   3.3526  463.923   55.995  533.328  126.120  446.883   62.492   58.440   7.2245   53.916   3.8222 4.524406 8.173256 
1 1 1   15   18   22 o  199.160   6.7228  6099.26  408.665  6099.26  408.665   0.0000   0.0000  199.160   6.7228  ?   ?  0.000000 6.722763 
1 1 1   15   18   23 o  145.119   17.107  3419.29  743.166  3419.29  743.166   0.0000   0.0000  145.119   17.107  ?   ?  0.000000 17.10688 
1 1 1   15   18   25 o  177.533   19.754  5232.58  1052.25  5232.58  1052.25   0.0000   0.0000  177.533   19.754  ?   ?  0.000000 19.75386 
1 1 1   15   18   26 o   53.813   10.877  468.335  172.506  468.335  172.506   0.0000   0.0000   53.813   10.877  ?   ?  0.000000 10.87679 
1 1 1   15   18   27 o  213.612   7.4341  7050.45  484.695  7050.45  484.695   0.0000   0.0000  213.612   7.4341  ?   ?  0.000000 7.434062 
1 1 1   15   18   28 o   19.702   7.1097   50.152   54.753 -148.8361  432.076   53.400   55.198   38.742   17.430   20.062   7.1497 18.68059 18.83897 
1 1 1   15   18   29 o  217.607   4.3361  7261.03  287.999  7797.96  423.969  6800.98  392.441  224.962   6.1746  210.108   6.1195 14.85452 8.693298 
1 1 1   15   18   30 o   42.741   7.9399  292.168   99.767  325.496  130.159  244.695  155.343   44.782   9.7952   39.134   11.927 5.647816 15.43350 
1 1 1   15   18   31 o   36.848   8.6616  219.841   95.771  280.971  127.713  141.295  144.767   41.504   10.163   32.164   11.566 9.340176 15.39685 
1 1 1   15   18   32 o  136.198   3.5843  2841.73  149.001  2850.53  239.914  2836.20  190.110  135.995   5.7798  135.901   4.5832 0.9393311E-01 7.376430 
1 1 1   15   19    0 o  215.232   15.973  7294.30  1036.06  7294.30  1036.06  7294.30  1036.06  215.232   15.973  215.232   15.973 0.000000 0.000000 
1 1 1   15   19    1 o  129.724   5.1436  2576.25  203.660  3736.95  543.658  2386.77  219.655  154.841   11.587  124.812   5.7659 30.02886 12.94260 
1 1 1   15   19    2 o  175.574   5.5399  4721.59  296.878  4641.38  809.649  4734.05  319.104  171.261   15.662  175.756   5.9485 -4.495331 16.75390 
1 1 1   15   19    3 o   72.786   4.8623  814.373  107.398   0.0000   0.0000  814.373  107.398  ?   ?    72.786   4.8623 0.000000 4.862267 
1 1 1   15   19    4 o  159.025   3.9030  3866.45  189.445  3855.89  281.845  3875.15  255.867  158.630   5.8211  159.084   5.2695 -0.4540405 7.851971 
1 1 1   15   19    5 o  139.209   3.5461  2962.01  150.675  3109.02  225.624  2843.66  202.432  142.499   5.1875  136.308   4.8656 6.190109 7.112279 
1 1 1   15   19    6 o  128.202   7.1822  2531.90  279.909  2328.16  483.001  2634.93  343.464  121.544   13.233  130.519   8.6710 -8.974419 15.82118 
1 1 1   15   19    7 o   49.598   11.237  396.090  166.170  413.214  343.497  390.858  189.865   52.657   17.892   49.198   12.591 3.459164 21.87827 
1 1 1   15   19    8 o  180.805   9.9948  5066.52  549.429  5221.60  803.499  4930.33  752.980  182.012   14.586  177.036   14.050 4.975723 20.25241 
1 1 1   15   19    9 o   89.271   4.7093  1223.04  127.863  1223.43  139.103  1220.91  324.695   89.239   5.1285   87.752   12.474 1.487282 13.48703 
1 1 1   15   19   10 o   61.607   5.1861  585.333   96.612  603.239  105.381  490.978  241.909   62.498   5.5831   54.979   14.286 7.518967 15.33791 
1 1 1   15   19   11 o  101.467   4.6378  1575.73  143.633  1617.12  153.978  1298.36  398.601  102.774   4.9086   89.774   15.082 13.00002 15.86044 
1 1 1   15   19   12 o  116.877   6.8239  2104.96  242.374  1991.74  277.803  2465.85  495.986  113.458   8.0747  124.990   13.201 -11.53219 15.47446 
1 1 1   15   19   13 o  214.322   4.7359  7032.07  309.804   0.0000   0.0000  7032.07  309.804  ?   ?   214.322   4.7359 0.000000 4.735912 
1 1 1   15   19   14 o  457.758   20.198 33861.34  2822.03   0.0000   0.0000 33861.34  2822.03  ?   ?   457.758   20.198 0.000000 20.19803 
1 1 1   15   19   15 o   17.253   7.7471 -40.0937   84.898 -124.9813  113.453   67.930  127.983   17.448   8.2219   27.080   10.621 -9.632210 13.43166 
1 1 1   15   19   16 o  170.138   3.8169  4427.54  198.212  3938.67  297.808  4816.33  265.580  160.192   6.0908  177.321   4.9070 -17.12820 7.821581 
1 1 1   15   19   17 o   65.607   6.8243  668.769  134.656  689.773  198.595  650.896  183.200   65.950   10.195   64.149   9.6559 1.800842 14.04169 
1 1 1   15   19   18 o  115.777   3.6375  2050.17  128.542  2127.31  148.384  1818.23  257.308  117.898   4.1235  108.324   7.8352 9.573540 8.854012 
1 1 1   15   19   19 o   88.097   3.7787  1187.38  101.607  1349.03  120.603  792.016  188.610   93.874   4.2092   71.020   8.8961 22.85418 9.841643 
1 1 1   15   19   20 o  243.313   6.1767  9097.94  458.710  9386.24  507.293  7805.35  1074.15  246.978   6.7295  220.492   16.071 26.48534 17.42350 
1 1 1   15   19   21 o  105.608   7.2817  1727.37  233.282  2089.06  563.123  1652.44  256.310  112.919   16.855  103.074   8.2153 9.845505 18.75037 
1 1 1   15   19   22 o  161.423   9.9606  4071.27  488.362  4331.90  778.628  3902.26  627.029  163.748   15.774  156.641   13.239 7.106903 20.59343 
1 1 1   15   19   23 o  215.954   6.0481  7172.97  398.657  7318.30  440.169  6509.71  940.360  217.964   6.6164  200.954   15.450 17.01001 16.80685 
1 1 1   15   19   24 o  143.584   8.5285  3208.71  372.088  2953.49  917.758  3258.91  407.042  129.480   24.110  144.450   9.2813 -14.97041 25.83443 
1 1 1   15   19   25 o  131.395   8.3967  2689.37  334.989  2424.96  862.867  2736.30  363.501  116.018   25.097  132.324   9.0546 -16.30555 26.68007 
1 1 1   15   19   26 o  198.999   6.7083  6111.82  407.452  5968.11  451.984  6735.19  941.361  196.356   7.5416  203.739   15.248 -7.383514 17.01148 
1 1 1   15   19   27 o   23.904   9.9550   22.859  120.355   43.577  157.899  -5.8694  185.931   27.870   11.486   27.919   12.028 -0.4989243E-01 16.63164 
1 1 1   15   20    1 f  210.343   10.897  6881.52  697.175  6745.41  990.745  7015.02  981.233  206.098   15.872  210.443   15.383 -4.345367 22.10316 
1 1 1   15   20    2 o   94.728   10.054  1403.71  286.249  1074.73  404.188  1734.76  405.449   80.931   16.908  104.650   12.971 -23.71943 21.31026 
1 1 1   15   20    3 o  119.390   7.6170  2201.78  276.119  1998.61  488.259  2297.30  334.797  111.899   14.647  121.660   9.0815 -9.761757 17.23431 
1 1 1   15   20    4 o  190.097   10.246  5612.46  592.317   0.0000   0.0000  5612.46  592.317  ?   ?   190.097   10.246 0.000000 10.24636 
1 1 1   15   20    5 o  113.709   3.5363  1976.75  122.733  2063.61  182.766  1905.40  165.637  116.063   5.1592  111.549   4.8649 4.514259 7.091202 
1 1 1   15   20    6 o  211.431   6.3459  6862.02  409.521   0.0000   0.0000  6862.02  409.521  ?   ?   211.431   6.3459 0.000000 6.345854 
1 1 1   15   20    7 o  213.940   6.2136  7024.69  405.746  7193.04  1022.80  6993.25  442.014  212.675   15.871  213.344   6.7879 -0.6688843 17.26139 
1 1 1   15   20    8 o  121.265   12.554  2319.61  457.914   0.0000   0.0000  2319.61  457.914  ?   ?   121.265   12.554 0.000000 12.55361 
1 1 1   15   20    9 o  158.037   4.8661  3825.32  234.722  3837.64  276.390  3793.45  444.542  158.182   5.7246  156.353   9.3582 1.829636 10.97027 
1 1 1   15   20   10 o  143.616   4.9392  3159.63  216.510  2999.26  252.734  3601.90  419.707  139.808   5.9226  152.399   9.0638 -12.59067 10.82730 
1 1 1   15   20   11 o   99.753   8.9371  1549.72  269.224   0.0000   0.0000  1549.72  269.224  ?   ?    99.753   8.9371 0.000000 8.937109 
1 1 1   15   20   12 o  208.359   10.625  6764.18  673.431   0.0000   0.0000  6764.18  673.431  ?   ?   208.359   10.625 0.000000 10.62453 
1 1 1   15   20   13 o  283.746   5.5231 12350.16  478.330 12484.25  503.616 11114.49  1528.79  285.212   5.7851  261.210   19.312 24.00189 20.16006 
1 1 1   15   20   14 o  176.836   4.4867  4789.02  242.169  4789.02  242.169   0.0000   0.0000  176.836   4.4867  ?   ?  0.000000 4.486735 
1 1 1   15   20   15 o   56.682   7.0644  502.161  119.566  417.028  178.680  571.193  160.898   50.666   11.778   60.097   9.0525 -9.430733 14.85479 
1 1 1   15   20   16 o   86.180   4.1327  1137.08  108.707  1186.77  126.392  995.843  213.085   87.874   4.7298   79.715   8.9102 8.158501 10.08773 
1 1 1   15   20   17 o   41.657   5.5904  271.127   69.287  299.388   80.178  187.779  137.693   43.706   6.1828   35.058   11.308 8.647968 12.88781 
1 1 1   15   20   18 o  124.296   3.0348  2362.21  115.136  2301.48  157.688  2431.55  168.503  122.581   4.2146  125.979   4.3822 -3.397804 6.080009 
1 1 1   15   20   19 o   85.524   8.6966  1145.31  223.858  1180.75  396.840  1128.78  271.111   84.498   15.972   84.334   10.779 0.1646500 19.26904 
1 1 1   15   20   20 o  142.822   5.5249  3134.14  240.842  3134.14  240.842   0.0000   0.0000  142.822   5.5249  ?   ?  0.000000 5.524859 
1 1 1   15   20   21 o  153.590   5.1622  3622.48  241.999  3406.73  282.532  4216.78  468.915  148.738   6.2234  164.291   9.3901 -15.55327 11.26521 
1 1 1   15   20   22 o   52.815   5.2151  432.613   82.972  415.815   90.655  519.300  205.941   51.660   5.8526   56.276   12.330 -4.615597 13.64879 
1 1 1   15   20   23 o  104.589   5.4624  1686.63  173.771  1874.08  226.350  1417.57  271.181  109.970   6.7766   94.850   9.4946 15.11964 11.66486 
1 1 1   15   20   24 o  139.506   4.1572  2983.86  177.015  2463.35  295.650  3274.72  221.006  125.818   7.7362  146.005   4.9593 -20.18710 9.189287 
1 1 1   15   20   25 o  222.806   5.5012  7640.22  374.115  8145.50  446.894  6456.69  683.961  229.725   6.3735  201.934   11.140 27.79121 12.83443 
1 1 1   15   20   26 o  187.194   4.1431  5374.58  236.716  5584.54  362.027  5217.77  312.864  190.215   6.2356  184.072   5.5687 6.142563 8.360196 
1 1 1   15   20   27 o   51.689   10.718  436.349  163.542  614.419  514.366  416.323  172.493   61.097   21.820   50.286   11.490 10.81078 24.66009 
1 1 1   15   21    1 o  253.803   7.1268  9915.01  552.086 10521.50  1353.67  9794.00  604.661  255.562   17.458  252.017   7.8608 3.545425 19.14648 
1 1 1   15   21    2 o  248.460   12.160  9657.45  922.159  8830.65  1300.58 10493.33  1307.71  233.331   18.412  255.655   16.853 -22.32368 24.96030 
1 1 1   15   21    3 o  209.265   6.5469  6732.01  418.167  6392.97  457.355  8459.93  1032.50  203.734   7.3549  230.792   14.734 -27.05792 16.46784 
1 1 1   15   21    4 o  215.952   4.7142  7144.29  310.729  7378.47  462.236  6951.21  419.709  218.983   6.9157  212.657   6.4662 6.325546 9.467807 
1 1 1   15   21    5 o  166.124   5.7790  4236.14  293.023   0.0000   0.0000  4236.14  293.023  ?   ?   166.124   5.7790 0.000000 5.778983 
1 1 1   15   21    6 o  139.145   9.3053  3012.58  392.920  3356.11  582.714  2726.17  532.077  145.508   13.266  130.938   13.507 14.56946 18.93271 
1 1 1   15   21    7 o   96.127   4.6310  1415.62  135.873  1431.29  146.961  1323.40  356.581   96.499   5.0068   90.845   13.250 5.654015 14.16438 
1 1 1   15   21    8 o  109.385   3.4848  1830.06  116.348  1916.73  170.315  1754.23  159.317  111.815   4.9904  106.981   4.8791 4.833931 6.979198 
1 1 1   15   21    9 o   81.531   4.3656  1020.93  108.244  1135.84  407.203  1012.19  112.283   82.843   16.681   81.157   4.5512 1.685989 17.29093 
1 1 1   15   21   10 o  225.306   11.147  7930.71  766.594   0.0000   0.0000  7930.71  766.594  ?   ?   225.306   11.147 0.000000 11.14743 
1 1 1   15   21   11 o  245.615   6.0479  9272.52  453.395  9828.35  556.079  8170.23  783.094  252.489   7.2157  228.575   11.225 23.91435 13.34377 
1 1 1   15   21   12 o  148.573   5.0569  3386.12  229.319  3386.81  248.414  3382.14  596.433  148.522   5.4798  145.627   13.575 2.895401 14.63926 
1 1 1   15   21   13 o  190.338   7.6125  5595.51  442.251  5601.76  709.694  5591.55  565.470  188.221   12.423  189.285   9.8213 -1.064301 15.83656 
1 1 1   15   21   14 o  121.040   3.7095  2242.45  137.042  2526.44  238.466  2102.41  167.456  128.155   6.0964  117.097   4.6853 11.05851 7.688836 
1 1 1   15   21   15 o   72.242   4.8669  804.220  106.690  806.899  112.505  780.296  336.196   72.324   5.1298   68.231   16.356 4.092575 17.14147 
1 1 1   15   21   16 o   72.860   5.1823  819.182  114.495  819.182  114.495   0.0000   0.0000   72.860   5.1823  ?   ?  0.000000 5.182302 
1 1 1   15   21   17 o  131.442   8.6601  2694.83  345.491  3000.51  521.769  2456.17  461.042  137.128   12.607  124.085   12.337 13.04342 17.63926 
1 1 1   15   21   20 o   63.812   3.6150  625.571   70.120  573.097  103.831  669.568   95.075   60.764   5.6637   65.870   4.7610 -5.106125 7.398957 
1 1 1   15   21   21 o  150.795   7.3220  3521.94  337.004  3148.11  545.064  3753.29  428.782  139.913   12.909  154.798   9.1154 -14.88464 15.80308 
1 1 1   15   21   22 o  134.291   5.1605  2773.35  211.520   0.0000   0.0000  2773.35  211.520  ?   ?   134.291   5.1605 0.000000 5.160466 
1 1 1   15   21   23 o  139.629   9.3715  3066.21  397.077   0.0000   0.0000  3066.21  397.077  ?   ?   139.629   9.3715 0.000000 9.371482 
1 1 1   15   22    0 o   44.989   6.2835  327.614   81.465  327.614   81.465  327.614   81.465   44.989   6.2835   44.989   6.2835 0.000000 0.000000 
1 1 1   15   22    1 o  143.532   5.0042  3160.62  219.230  3148.96  579.010  3162.57  236.865  140.311   13.695  143.513   5.4074 -3.202225 14.72353 
1 1 1   15   22    2 o   61.351   12.682  614.073  229.625  724.348  326.866  506.624  322.652   65.817   16.345   55.683   17.227 10.13385 23.74739 
1 1 1   15   22    3 o   21.179   7.8857   53.170   68.206   46.551   70.485  150.619  270.439   20.844   7.9596   38.986   15.392 -18.14129 17.32819 
1 1 1   15   22    4 o   96.203   14.857  1508.32  422.205  1508.32  422.205   0.0000   0.0000   96.203   14.857  ?   ?  0.000000 14.85719 
1 1 1   15   22    5 o   99.172   14.903  1602.33  437.153  1602.33  437.153   0.0000   0.0000   99.172   14.903  ?   ?  0.000000 14.90291 
1 1 1   15   22    6 o  104.318   4.6651  1668.68  148.538  1585.93  168.606  1955.56  313.927  101.464   5.4645  111.783   9.2851 -10.31841 10.77374 
1 1 1   15   22    7 o  316.624   6.0107 15422.65  580.878 15753.96  865.063 15150.60  783.892  318.493   8.8988  312.737   8.2122 5.755737 12.10902 
1 1 1   15   22    8 o  127.270   13.208  2593.67  505.591   0.0000   0.0000  2593.67  505.591  ?   ?   127.270   13.208 0.000000 13.20768 
1 1 1   15   22    9 o   49.821   15.914  397.813  273.204   0.0000   0.0000  397.813  273.204  ?   ?    49.821   15.914 0.000000 15.91358 
1 1 1   15   22   10 o   67.521   4.8519  703.181   99.326  705.639  112.777  694.682  209.711   67.535   5.5193   65.772   10.823 1.762917 12.14894 
1 1 1   15   22   11 o  242.998   6.8730  9114.47  509.759 10009.92  1275.49  8944.26  556.102  247.130   17.013  240.426   7.5780 6.704514 18.62463 
1 1 1   15   22   12 o  146.735   5.5456  3310.96  248.371  3492.18  283.236  2707.80  516.725  150.563   6.1633  129.834   13.224 20.72855 14.58959 
1 1 1   15   22   13 o  108.768   4.1642  1813.43  138.243  1825.94  147.974  1727.57  387.622  109.109   4.4433  103.698   12.499 5.411179 13.26497 
1 1 1   15   22   14 o   87.117   4.5927  1167.81  121.690  1162.05  145.686  1181.09  221.332   86.742   5.5315   86.774   8.4645 -0.3224182E-01 10.11161 
1 1 1   15   22   15 o  139.459   7.3618  3019.42  312.255  3314.96  549.402  2878.39  379.509  143.837   12.642  135.496   9.2315 8.341095 15.65419 
1 1 1   15   22   16 o   28.648   8.9925  127.059   87.559  159.861  100.071   19.941  180.837   31.782   9.5474   28.504   12.057 3.277924 15.37916 
1 1 1   15   22   17 o   98.158   5.5875  1488.22  166.711  1488.22  166.711   0.0000   0.0000   98.158   5.5875  ?   ?  0.000000 5.587539 
1 1 1   15   22   18 o   85.769   11.771  1187.23  300.032  1284.84  499.781  1132.23  375.154   85.636   19.551   82.156   15.530 3.480049 24.96825 
1 1 1   15   22   19 o  101.067   5.0520  1570.96  155.843  1599.00  168.839  1409.57  405.069  101.758   5.4560   92.101   14.920 9.657204 15.88614 
1 1 1   15   22   20 o   35.211   15.455 -34.3252  319.199   0.0000   0.0000 -34.3252  319.199  ?   ?    35.211   15.455 0.000000 15.45463 
1 1 1   15   23    0 o   34.056   19.592  242.901  326.103  242.901  326.103  242.901  326.103   34.056   19.592   34.056   19.592 0.000000 0.000000 
1 1 1   15   23    1 o   81.861   3.5932  1026.13   89.781  1003.67  128.045  1047.85  125.919   80.644   5.2303   82.441   5.0282 -1.796722 7.255273 
1 1 1   15   23    2 o   66.790   3.7937  685.530   77.020  691.537  111.963  680.134  106.117   66.824   5.5393   66.310   5.2870 0.5138321 7.657488 
1 1 1   15   23    3 o  114.683   9.7716  2071.15  338.783  1972.88  487.680  2162.80  470.978  109.699   14.955  115.593   13.610 -5.893204 20.22068 
1 1 1   15   23    5 o  167.885   5.4840  4335.95  281.016  4299.23  305.876  4534.73  711.615  167.042   5.9993  167.529   14.046 -0.4866028 15.27397 
1 1 1   15   23    8 o   95.886   9.3905  1450.04  271.302   0.0000   0.0000  1450.04  271.302  ?   ?    95.886   9.3905 0.000000 9.390539 
1 1 1   15   23    9 o  126.332   7.5652  2483.30  290.366  2507.45  537.658  2473.36  345.005  123.879   14.494  125.558   9.0634 -1.678894 17.09422 
1 1 1   15   23   10 o   85.260   4.3334  1118.19  112.398  1155.22  470.015  1115.94  115.756   81.375   19.229   85.153   4.4694 -3.778580 19.74123 
1 1 1   15   23   11 f   87.577   4.7742  1181.72  127.135  1173.00  149.105  1204.93  243.335   87.090   5.6396   87.313   9.2727 -0.2230835 10.85302 
1 1 1   15   23   12 o   31.897   8.8954  163.600   89.867  184.848   98.751   61.193  216.794   33.831   9.2829   32.398   13.416 1.432560 16.31407 
1 1 1   15   23   13 o  114.753   4.4355  2021.68  155.355  2287.92  563.534  1999.78  161.617  117.010   16.215  114.098   4.6408 2.911736 16.86596 
1 1 1   15   23   14 o   30.207   11.749   96.777  155.616   0.0000   0.0000   96.777  155.616  ?   ?    30.207   11.749 0.000000 11.74937 
1 1 1   15   23   15 o   80.022   5.8908  993.217  142.868  993.217  142.868   0.0000   0.0000   80.022   5.8908  ?   ?  0.000000 5.890806 
1 1 1   15   24    0 o   30.813   9.7088  183.794   80.230  183.794   80.230  183.794   80.230   30.813   9.7088   30.813   9.7088 0.000000 0.000000 
1 1 1   15   24    1 o   72.146   5.0760  804.619  111.064  800.066  116.756  847.936  360.133   71.888   5.3596   70.153   16.998 1.734673 17.82256 
1 1 1   15   24    2 o   83.006   4.7370  1062.27  119.516  963.166  398.274  1072.08  125.290   74.509   17.763   83.351   4.9469 -8.842316 18.43945 
1 1 1   15   24    3 o   36.610   5.3153  210.551   57.659  251.919   87.349  178.607   76.757   39.658   7.4908   33.252   7.7123 6.405270 10.75140 
1 1 1   15   24    4 o   56.347   14.179  534.381  243.665   0.0000   0.0000  534.381  243.665  ?   ?    56.347   14.179 0.000000 14.17930 
1 1 1   15   24    5 f  109.444   4.9700  1842.43  166.021   0.0000   0.0000  1842.43  166.021  ?   ?   109.444   4.9700 0.000000 4.969953 
1 1 1   15   24    6 o  145.735   13.769  3463.78  605.234   0.0000   0.0000  3463.78  605.234  ?   ?   145.735   13.769 0.000000 13.76950 
1 1 1   15   24    7 o  266.619   10.541 11241.35  857.848 10444.59  1497.33 11630.65  1046.65  245.335   20.175  269.034   12.746 -23.69875 23.86382 
1 1 1   16    0    1 o  430.739   12.024 28523.85  1577.99 28523.85  1577.99 28523.85  1577.99  430.739   12.024  430.739   12.024 0.000000 0.000000 
1 1 1   16    0    2 o  455.219   12.652 31874.86  1754.79 31874.86  1754.79 31874.86  1754.79  455.219   12.652  455.219   12.652 0.000000 0.000000 
1 1 1   16    0    3 o  221.859   16.576  7707.45  1108.09  7707.45  1108.09  7707.45  1108.09  221.859   16.576  221.859   16.576 0.000000 0.000000 
1 1 1   16    0    4 o   79.022   5.7604  969.168  137.241  969.168  137.241  969.168  137.241   79.022   5.7604   79.022   5.7604 0.000000 0.000000 
1 1 1   16    0    5 o  205.012   5.9918  6438.78  374.211  6438.78  374.211  6438.78  374.211  205.012   5.9918  205.012   5.9918 0.000000 0.000000 
1 1 1   16    0    6 o  184.912   10.600  5289.88  593.733  5289.88  593.733  5289.88  593.733  184.912   10.600  184.912   10.600 0.000000 0.000000 
1 1 1   16    0    7 o  412.866   9.2795 26132.87  1168.03 26132.87  1168.03 26132.87  1168.03  412.866   9.2795  412.866   9.2795 0.000000 0.000000 
1 1 1   16    0    8 o   91.738   4.6527  1295.22  129.514  1295.22  129.514  1295.22  129.514   91.738   4.6527   91.738   4.6527 0.000000 0.000000 
1 1 1   16    0    9 o  168.617   5.3043  4356.23  272.378  4356.23  272.378  4356.23  272.378  168.617   5.3043  168.617   5.3043 0.000000 0.000000 
1 1 1   16    0   10 o   63.615   4.8885  628.984   93.630  628.984   93.630  628.984   93.630   63.615   4.8885   63.615   4.8885 0.000000 0.000000 
1 1 1   16    0   11 o  159.933   5.2051  3919.79  253.479  3919.79  253.479  3919.79  253.479  159.933   5.2051  159.933   5.2051 0.000000 0.000000 
1 1 1   16    0   12 o  178.641   4.1584  4881.17  226.458  4881.17  226.458  4881.17  226.458  178.641   4.1584  178.641   4.1584 0.000000 0.000000 
1 1 1   16    0   13 o  329.308   13.992 16756.88  1400.62 16756.88  1400.62 16756.88  1400.62  329.308   13.992  329.308   13.992 0.000000 0.000000 
1 1 1   16    0   14 o   22.201   14.004   33.016  201.431   33.016  201.431   33.016  201.431   22.201   14.004   22.201   14.004 0.000000 0.000000 
1 1 1   16    0   15 o  280.667   13.626 12188.10  1161.03 12188.10  1161.03 12188.10  1161.03  280.667   13.626  280.667   13.626 0.000000 0.000000 
1 1 1   16    0   16 o  207.575   4.6184  6590.58  292.282  6590.58  292.282  6590.58  292.282  207.575   4.6184  207.575   4.6184 0.000000 0.000000 
1 1 1   16    0   17 o  131.116   5.3622  2639.54  213.778  2639.54  213.778  2639.54  213.778  131.116   5.3622  131.116   5.3622 0.000000 0.000000 
1 1 1   16    0   18 o   21.099   11.222   98.030   97.736   98.030   97.736   98.030   97.736   21.099   11.222   21.099   11.222 0.000000 0.000000 
1 1 1   16    0   19 o   88.253   12.725  1266.96  322.068  1266.96  322.068  1266.96  322.068   88.253   12.725   88.253   12.725 0.000000 0.000000 
1 1 1   16    0   20 o   91.037   5.5187  1280.13  152.055  1280.13  152.055  1280.13  152.055   91.037   5.5187   91.037   5.5187 0.000000 0.000000 
1 1 1   16    0   21 o   14.782   9.6866 -16.5914  108.935 -16.5914  108.935 -16.5914  108.935   14.782   9.6866   14.782   9.6866 0.000000 0.000000 
1 1 1   16    0   22 o   19.287   10.230   82.016   81.041   82.016   81.041   82.016   81.041   19.287   10.230   19.287   10.230 0.000000 0.000000 
1 1 1   16    0   23 o  311.801   6.6210 14882.84  629.475 14882.84  629.475 14882.84  629.475  311.801   6.6210  311.801   6.6210 0.000000 0.000000 
1 1 1   16    0   24 o  141.268   3.9332  3054.63  169.294  3054.63  169.294  3054.63  169.294  141.268   3.9332  141.268   3.9332 0.000000 0.000000 
1 1 1   16    0   25 o  374.985   8.1174 21548.71  928.087 21548.71  928.087 21548.71  928.087  374.985   8.1174  374.985   8.1174 0.000000 0.000000 
1 1 1   16    0   26 o   36.051   14.733  278.837  159.640  278.837  159.640  278.837  159.640   36.051   14.733   36.051   14.733 0.000000 0.000000 
1 1 1   16    0   27 o  242.925   6.7119  9044.73  496.803  9044.73  496.803  9044.73  496.803  242.925   6.7119  242.925   6.7119 0.000000 0.000000 
1 1 1   16    0   28 o  231.515   19.607  8496.34  1362.65  8496.34  1362.65  8496.34  1362.65  231.515   19.607  231.515   19.607 0.000000 0.000000 
1 1 1   16    0   29 o   54.987   5.0668  473.631   83.377  473.631   83.377  473.631   83.377   54.987   5.0668   54.987   5.0668 0.000000 0.000000 
1 1 1   16    0   30 o   40.507   13.743  325.776  152.199  325.776  152.199  325.776  152.199   40.507   13.743   40.507   13.743 0.000000 0.000000 
1 1 1   16    0   31 o  200.830   5.9579  6183.08  364.477  6183.08  364.477  6183.08  364.477  200.830   5.9579  200.830   5.9579 0.000000 0.000000 
1 1 1   16    0   32 o  191.112   10.468  5657.88  606.406  5657.88  606.406  5657.88  606.406  191.112   10.468  191.112   10.468 0.000000 0.000000 
1 1 1   16    0   33 o  396.932   6.7226 24130.12  813.931 24130.12  813.931 24130.12  813.931  396.932   6.7226  396.932   6.7226 0.000000 0.000000 
1 1 1   16    0   34 o  177.719   4.1030  4832.93  222.296  4832.93  222.296  4832.93  222.296  177.719   4.1030  177.719   4.1030 0.000000 0.000000 
1 1 1   16    0   35 o   32.459   13.979  231.512  142.212  231.512  142.212  231.512  142.212   32.459   13.979   32.459   13.979 0.000000 0.000000 
1 1 1   16    0   36 o  132.180   5.8161  2688.33  233.613  2688.33  233.613  2688.33  233.613  132.180   5.8161  132.180   5.8161 0.000000 0.000000 
1 1 1   16    0   37 o  318.989   9.0250 15666.00  877.112 15666.00  877.112 15666.00  877.112  318.989   9.0250  318.989   9.0250 0.000000 0.000000 
1 1 1   16    0   38 o   33.918   15.537  259.792  175.598  259.792  175.598  259.792  175.598   33.918   15.537   33.918   15.537 0.000000 0.000000 
1 1 1   16    0   39 o   17.905   11.829 -35.4361  167.584 -35.4361  167.584 -35.4361  167.584   17.905   11.829   17.905   11.829 0.000000 0.000000 
1 1 1   16    0   40 o  136.641   6.0384  2876.82  250.718  2876.82  250.718  2876.82  250.718  136.641   6.0384  136.641   6.0384 0.000000 0.000000 
1 1 1   16    0   41 o  138.503   4.8530  2946.25  204.588  2946.25  204.588  2946.25  204.588  138.503   4.8530  138.503   4.8530 0.000000 0.000000 
1 1 1   16    0   42 o   56.142   13.349  563.284  198.535  563.284  198.535  563.284  198.535   56.142   13.349   56.142   13.349 0.000000 0.000000 
1 1 1   16    0   43 o  149.973   3.7795  3445.79  172.759  3445.79  172.759  3445.79  172.759  149.973   3.7795  149.973   3.7795 0.000000 0.000000 
1 1 1   16    0   44 o  146.635   5.8998  3314.21  263.085  3314.21  263.085  3314.21  263.085  146.635   5.8998  146.635   5.8998 0.000000 0.000000 
1 1 1   16    1    0 o  146.314   15.977  3409.80  691.885  3409.80  691.885  3409.80  691.885  146.314   15.977  146.314   15.977 0.000000 0.000000 
1 1 1   16    1    1 o  472.157   30.024 35923.54  4304.37 35923.54  4304.37   0.0000   0.0000  472.157   30.024  ?   ?  0.000000 30.02401 
1 1 1   16    1    2 o  353.177   8.5271 19116.39  919.202 19098.42  994.514 19221.74  2407.97  352.883   9.2334  349.017   22.728 3.865784 24.53208 
1 1 1   16    1    3 o  305.017   7.4066 14243.67  689.540 14448.82  745.425 13027.33  1815.07  307.131   7.9518  287.869   20.798 19.26175 22.26589 
1 1 1   16    1    4 o  115.075   3.7728  2022.61  132.515  2085.73  181.229  1950.09  194.259  116.818   5.0828  112.936   5.6355 3.881721 7.589045 
1 1 1   16    1    5 o  332.053   7.6372 16884.29  774.032 16374.32  894.298 18407.07  1545.35  326.789   8.9660  345.126   14.670 -18.33688 17.19303 
1 1 1   16    1    6 o  220.028   4.6841  7397.82  314.574  7172.41  444.339  7624.32  445.413  216.502   6.7241  223.235   6.5371 -6.732681 9.378006 
1 1 1   16    1    7 o  174.597   4.7397  4658.37  252.580  4578.62  284.680  4953.40  547.541  173.062   5.3894  179.351   10.043 -6.288528 11.39732 
1 1 1   16    1    8 o  274.208   6.2500 11501.45  523.096 12247.25  912.446 11136.34  638.425  282.350   10.588  269.653   7.7569 12.69742 13.12513 
1 1 1   16    1    9 f  145.036   3.4895  3212.57  154.473  3147.58  221.452  3274.16  215.583  143.504   5.0559  146.371   4.8255 -2.866959 6.989082 
1 1 1   16    1   10 o  256.679   4.4744 10066.72  350.543 10137.95  496.723  9996.04  494.767  257.432   6.3217  255.622   6.3414 1.809982 8.954184 
1 1 1   16    1   11 o  358.694   8.9228 19729.12  976.886 20229.52  1383.47 19231.52  1379.59  362.383   12.508  353.255   12.795 9.128296 17.89309 
1 1 1   16    1   12 o  222.322   5.1690  7555.31  350.754  7168.12  764.503  7658.54  394.754  215.533   11.665  223.791   5.7792 -8.257355 13.01769 
1 1 1   16    1   13 o   67.403   6.0075  700.346  122.297  696.436  142.913  711.042  236.367   67.081   7.0874   66.976   12.003 0.1049042 13.93963 
1 1 1   16    1   14 o  255.121   4.8455  9947.22  377.313 10005.84  532.853  9888.28  534.353  255.692   6.8277  254.179   6.8877 1.512848 9.698302 
1 1 1   16    1   15 o  218.514   4.3431  7295.36  289.665  6588.61  392.917  8136.77  428.717  207.536   6.2028  230.643   6.0899 -23.10732 8.692680 
1 1 1   16    1   16 o  379.963   6.4916 22089.63  752.852 21192.38  1913.88 22253.88  818.866  369.400   16.975  381.287   7.0363 -11.88678 18.37520 
1 1 1   16    1   17 o   53.740   5.9385  447.052   95.779  450.707  101.430  416.965  290.998   53.916   6.2813   52.117   16.399 1.799107 17.56095 
1 1 1   16    1   18 o  187.649   5.6383  5384.36  322.934  5441.57  945.059  5376.79  343.617  186.498   16.782  187.493   6.0045 -0.9948730 17.82383 
1 1 1   16    1   19 o  182.508   3.7289  5087.77  207.719  5168.14  367.013  5049.89  251.957  183.779   6.5429  181.790   4.5409 1.989395 7.964222 
1 1 1   16    1   20 o  146.114   4.6645  3262.61  208.027  3530.32  458.306  3193.15  233.462  151.298   9.9805  144.522   5.2926 6.775864 11.29697 
1 1 1   16    1   21 o  124.901   3.0275  2382.15  115.414  2326.13  175.449  2424.89  153.237  123.374   4.6592  125.989   3.9849 -2.615257 6.130841 
1 1 1   16    1   22 o  207.779   5.1514  6599.88  326.693  6652.21  362.149  6371.20  757.047  208.561   5.6890  202.972   12.278 5.589340 13.53172 
1 1 1   16    1   23 o  146.724   3.1808  3287.60  142.449  3084.31  211.585  3456.14  192.650  142.051   4.8801  150.400   4.1967 -8.349625 6.436372 
1 1 1   16    1   24 o  303.837   6.3496 14127.08  588.850 14016.20  654.630 14597.12  1347.82  302.540   7.0892  307.128   14.378 -4.587555 16.03064 
1 1 1   16    1   25 o  290.752   4.1395 12916.64  367.357 13105.53  506.589 12707.16  533.498  292.717   5.6701  288.188   6.0651 4.529572 8.302759 
1 1 1   16    1   26 o  273.829   6.3323 11476.10  529.247 11013.62  1067.24 11626.92  609.467  267.002   13.096  275.500   7.2479 -8.498047 14.96766 
1 1 1   16    1   27 o  223.394   4.7738  7628.95  325.499  7246.60  435.733  8111.70  489.612  217.561   6.5618  230.134   6.9704 -12.57312 9.573049 
1 1 1   16    1   28 o  301.185   9.2872 13935.93  853.763 13653.40  969.043 14915.98  1804.81  297.804   10.661  307.680   19.316 -9.875214 22.06305 
1 1 1   16    1   29 o  202.943   3.5710  6291.91  221.200  6200.11  270.272  6478.13  384.960  201.404   4.3966  205.720   6.1309 -4.315384 7.544380 
1 1 1   16    1   30 f  120.193   5.1366  2209.56  188.438  2209.56  188.438   0.0000   0.0000  120.193   5.1366  ?   ?  0.000000 5.136579 
1 1 1   16    1   31 o  135.923   3.8694  2823.24  160.528  2726.77  212.960  2950.18  244.295  133.508   5.2261  138.833   5.7651 -5.325562 7.781228 
1 1 1   16    1   32 o  122.265   5.1926  2287.06  193.775  2081.62  343.234  2383.17  234.767  115.871   9.7969  124.743   6.1660 -8.871948 11.57575 
1 1 1   16    1   33 o  499.194   6.4781 38187.43  987.043 38529.98  1361.81 37808.30  1432.67  500.507   8.9143  495.548   9.4720 4.958160 13.00708 
1 1 1   16    1   34 o  105.747   3.4170  1708.66  110.287  1683.60  136.870  1755.04  186.228  104.933   4.2735  106.902   5.7283 -1.969902 7.146719 
1 1 1   16    1   35 o  271.152   4.2266 11243.02  349.805 11643.20  433.750 10498.57  591.606  275.801   5.1526  261.478   7.4128 14.32291 9.027642 
1 1 1   16    1   36 o  208.083   3.4533  6617.36  219.324  6939.16  354.199  6417.24  279.313  212.854   5.4519  204.813   4.4680 8.040726 7.048888 
1 1 1   16    1   37 o  194.935   4.8593  5817.12  289.119  5914.38  549.160  5779.82  340.064  195.781   9.1899  194.191   5.7374 1.590286 10.83384 
1 1 1   16    1   38 o  139.437   4.7907  2976.92  203.888  3033.97  234.127  2797.86  414.778  140.699   5.4518  134.033   10.216 6.666611 11.57946 
1 1 1   16    1   39 o   85.864   5.3536  1134.54  139.608  1158.03  162.851  1069.42  271.159   86.631   6.1998   82.224   11.087 4.407303 12.70307 
1 1 1   16    1   40 o  100.661   3.5972  1549.82  110.520  1610.41  157.994  1491.76  154.658  102.498   5.0502   98.508   5.1618 3.990616 7.221368 
1 1 1   16    1   41 o  257.135   4.4846 10129.04  351.970 10114.23  483.580 10145.73  513.267  256.509   6.1766  256.793   6.5485 -0.2843018 9.001856 
1 1 1   16    1   42 o  240.232   5.2896  8858.75  387.853  7953.02  546.091  9780.68  550.956  226.817   7.8881  251.813   7.1684 -24.99623 10.65870 
1 1 1   16    1   43 o  319.368   7.6111 15769.98  741.915 15826.18  882.368 15634.39  1370.59  319.076   9.0602  312.854   14.353 6.221252 16.97355 
1 1 1   16    1   44 o   52.918   6.2110  437.123   98.410  485.825  466.032  434.850  100.680   56.879   20.709   52.744   6.3839 4.135120 21.67054 
1 1 1   16    2    0 o  362.221   10.342 20147.27  1141.24 20147.27  1141.24 20147.27  1141.24  362.221   10.342  362.221   10.342 0.000000 0.000000 
1 1 1   16    2    1 o  517.752   12.188 41265.09  1926.11 40406.56  2085.62 46242.24  5021.68  511.899   13.349  535.013   30.883 -23.11423 33.64428 
1 1 1   16    2    2 o  279.016   7.5121 11919.97  639.744 10952.97  688.665 18009.82  1728.22  267.344   8.4396  340.788   16.615 -73.44452 18.63548 
1 1 1   16    2    3 o  427.599   11.079 28104.13  1445.95 28104.13  1445.95   0.0000   0.0000  427.599   11.079  ?   ?  0.000000 11.07898 
1 1 1   16    2    4 o  257.100   6.3361 10111.47  497.210 11162.43  822.414  9506.05  624.206  269.660   9.9921  249.086   8.2104 20.57428 12.93260 
1 1 1   16    2    5 o  270.103   5.4233 11153.12  447.101 10946.04  605.838 11400.79  662.556  267.382   7.4235  272.814   7.9568 -5.432068 10.88204 
1 1 1   16    2    6 o  125.125   4.9406  2392.79  188.686  2392.26  201.727  2396.44  533.441  125.099   5.2832  123.754   14.391 1.345215 15.33033 
1 1 1   16    2    7 o  121.822   3.5402  2266.52  131.635  2286.52  190.325  2248.17  182.257  122.310   5.0982  121.285   4.9233 1.023994 7.087370 
1 1 1   16    2    8 o  215.488   4.2622  7094.20  280.332  7093.08  304.680  7100.38  715.665  215.450   4.6332  214.658   10.960 0.7918091 11.89871 
1 1 1   16    2    9 o  169.128   2.9128  4367.56  150.363  4322.02  212.145  4413.54  213.151  168.201   4.1323  169.973   4.1086 -1.772522 5.827158 
1 1 1   16    2   10 o  260.944   4.8746 10406.43  388.243 10360.48  422.636 10654.78  982.552  260.332   5.3189  263.047   12.238 -2.715240 13.34374 
1 1 1   16    2   11 o  337.930   4.9832 17453.84  513.984 16924.48  864.067 17743.73  639.410  332.289   8.5195  340.592   6.1508 -8.303040 10.50781 
1 1 1   16    2   12 o  190.691   3.5424  5553.60  206.180  5660.00  348.755  5496.44  255.637  192.376   5.9395  189.667   4.4159 2.709518 7.401210 
1 1 1   16    2   13 o  170.567   3.9705  4444.22  206.707  4778.37  875.959  4424.52  212.714  174.735   16.625  170.184   4.0951 4.551361 17.12160 
1 1 1   16    2   14 o  172.393   3.9165  4539.79  206.081  4502.43  611.373  4544.58  218.892  170.640   11.811  172.474   4.1580 -1.834320 12.52158 
1 1 1   16    2   15 o  236.187   4.6356  8524.50  334.176  8652.39  363.525  7827.01  848.944  237.926   5.0058  225.076   12.405 12.85002 13.37737 
1 1 1   16    2   16 o  272.466   4.9461 11346.54  411.336 11460.49  429.991 10118.08  1411.80  273.814   5.1450  254.266   18.314 19.54840 19.02307 
1 1 1   16    2   17 o  125.516   4.5393  2407.32  173.903  2810.41  348.109  2273.27  200.748  135.141   8.4824  121.939   5.3937 13.20213 10.05203 
1 1 1   16    2   18 o  172.715   3.9857  4556.96  210.112  4521.21  226.312  4780.17  565.524  172.022   4.3103  176.062   10.573 -4.039780 11.41756 
1 1 1   16    2   19 o   68.071   5.0934  712.255  105.058  725.596  255.953  709.552  115.210   67.507   12.892   67.889   5.6102 -0.3818283 14.06003 
1 1 1   16    2   20 o  119.432   4.7733  2179.99  174.003  2214.77  188.669  1982.02  450.136  120.368   5.1354  112.566   13.362 7.801765 14.31530 
1 1 1   16    2   21 o  149.271   3.9893  3403.96  181.758  3332.75  475.451  3416.15  196.699  146.861   10.680  149.526   4.3099 -2.664795 11.51672 
1 1 1   16    2   22 f  128.194   2.9732  2509.42  116.336  2470.01  147.862  2573.47  188.484  127.160   3.8097  129.761   4.7590 -2.601387 6.096021 
1 1 1   16    2   23 o  144.729   3.6314  3199.48  160.416  3124.98  212.634  3297.89  244.392  142.984   4.8722  146.857   5.4522 -3.873199 7.312017 
1 1 1   16    2   24 o  297.300   4.8339 13510.42  438.643 13161.03  599.458 13913.11  643.557  293.216   6.6981  301.435   6.9948 -8.219696 9.684647 
1 1 1   16    2   25 o  116.526   3.4141  2073.92  121.428  1878.76  252.923  2132.38  138.424  110.479   7.5457  118.145   3.8387 -7.665749 8.465951 
1 1 1   16    2   26 o   56.012   5.5374  484.523   93.429  507.517  107.013  410.803  191.611   57.252   6.2241   50.608   12.483 6.644730 13.94824 
1 1 1   16    2   27 o  133.614   3.9279  2727.66  160.188  2751.99  198.029  2681.60  272.463  134.168   4.8357  132.158   6.7774 2.010254 8.325672 
1 1 1   16    2   28 o  235.698   7.1577  8511.95  514.926  8381.78  557.286  9271.83  1346.48  233.801   7.8094  242.700   18.311 -8.899445 19.90720 
1 1 1   16    2   29 o  316.794   6.0981 15362.13  589.644 15692.15  661.971 14094.62  1297.32  320.066   6.7761  301.478   14.099 18.58759 15.64238 
1 1 1   16    2   30 o  332.949   6.5173 16978.79  662.313 17288.39  705.784 14695.24  1916.80  335.901   6.8840  304.152   20.772 31.74832 21.88279 
1 1 1   16    2   31 o  183.110   3.6482  5123.04  203.893  5274.39  290.172  4975.43  286.559  185.688   5.1198  180.342   5.2060 5.346390 7.301668 
1 1 1   16    2   32 o  113.562   3.7169  1970.69  128.833  1750.62  307.555  2017.52  141.881  106.223   9.5895  114.890   4.0460 -8.666801 10.40813 
1 1 1   16    2   33 o  120.493   2.8103  2217.44  103.353  1986.39  145.127  2455.21  147.222  113.989   4.1713  126.747   3.8056 -12.75795 5.646402 
1 1 1   16    2   34 o  299.497   4.3688 13716.79  399.365 13598.41  521.455 13884.72  621.096  297.984   5.7333  300.900   6.7627 -2.915710 8.865953 
1 1 1   16    2   35 o  256.193   4.1399 10036.12  323.723  9854.12  409.170 10340.69  529.306  253.704   5.2840  259.646   6.6789 -5.942551 8.516371 
1 1 1   16    2   36 o   74.012   3.8313  839.712   86.253  842.191  148.201  838.442  106.067   73.792   6.6514   73.870   4.7291 -0.7792664E-01 8.161286 
1 1 1   16    2   37 o  249.320   5.8174  9529.06  442.690 10358.54  963.751  9307.24  498.379  257.972   12.240  246.236   6.6312 11.73651 13.92070 
1 1 1   16    2   38 o   66.382   7.9547  688.078  157.962  784.183  238.972  613.503  210.509   70.135   11.567   61.854   11.576 8.281342 16.36412 
1 1 1   16    2   39 o  115.603   3.8745  2044.38  136.710  2068.58  196.958  2021.88  189.910  116.139   5.5562  114.834   5.4183 1.304871 7.760755 
1 1 1   16    2   40 o   49.569   4.8998  380.196   73.163  362.504   96.555  404.049  112.115   48.085   6.7661   50.679   7.4721 -2.594872 10.08027 
1 1 1   16    2   41 o   35.931   4.0369  200.111   43.506  114.079  125.745  211.810   46.370   29.641   10.762   36.958   4.1844 -7.316994 11.54721 
1 1 1   16    2   42 f  108.797   3.7130  1811.70  123.299  1891.05  193.007  1756.98  160.264  110.788   5.7273  107.026   4.9060 3.762024 7.541294 
1 1 1   16    2   43 o  142.876   3.1625  3122.50  137.913  3347.70  256.276  3030.69  163.627  147.562   5.6901  140.688   3.8105 6.874191 6.848109 
1 1 1   16    2   44 o  187.087   4.0730  5363.56  232.579  5618.77  352.257  5166.33  309.674  191.018   6.0418  183.298   5.5352 7.720078 8.194020 
1 1 1   16    3    0 o  330.528   8.5980 16749.96  866.085 16749.96  866.085 16749.96  866.085  330.528   8.5980  330.528   8.5980 0.000000 0.000000 
1 1 1   16    3    1 o  152.771   3.3980  3564.24  158.444  3688.64  196.350  3332.03  268.267  155.389   4.1399  147.607   5.9545 7.781815 7.252209 
1 1 1   16    3    2 o  504.640   12.036 39196.02  1853.85 42065.56  3410.61 37992.70  2208.61  517.958   21.573  495.848   14.593 22.11041 26.04571 
1 1 1   16    3    3 o  216.922   6.3133  7198.04  417.998  7198.04  417.998   0.0000   0.0000  216.922   6.3133  ?   ?  0.000000 6.313258 
1 1 1   16    3    4 o  431.261   18.712 28971.54  2463.01 28971.54  2463.01   0.0000   0.0000  431.261   18.712  ?   ?  0.000000 18.71153 
1 1 1   16    3    5 o  199.820   11.387  6159.78  691.603  6159.78  691.603   0.0000   0.0000  199.820   11.387  ?   ?  0.000000 11.38684 
1 1 1   16    3    6 o  337.866   6.3809 17463.36  658.023 17421.25  691.404 17868.19  2143.62  337.415   6.7135  337.210   20.931 0.2056274 21.98094 
1 1 1   16    3    7 o   42.554   5.2412  280.983   66.637  175.289  112.925  337.448   82.539   33.666   10.148   46.600   5.9380 -12.93362 11.75806 
1 1 1   16    3    8 o   56.214   4.1118  485.320   70.060  538.261  111.088  450.356   90.277   58.989   6.2659   53.989   5.5578 5.000156 8.375577 
1 1 1   16    3    9 o  203.081   5.2680  6304.48  326.534  6320.14  349.888  6198.77  909.021  203.308   5.6384  199.645   15.028 3.663635 16.05078 
1 1 1   16    3   10 o  147.948   4.5397  3344.62  204.999  3233.42  440.214  3375.41  231.649  144.780   10.024  148.603   5.1072 -3.823242 11.24964 
1 1 1   16    3   11 o  353.611   6.7880 19135.92  732.630 20119.62  2430.02 19037.56  768.383  357.055   22.411  352.648   7.1387 4.406830 23.52072 
1 1 1   16    3   12 o  234.516   9.5193  8439.67  681.388  9530.57  1240.38  7968.19  815.446  247.325   16.526  227.240   11.798 20.08505 20.30526 
1 1 1   16    3   13 o  226.757   4.2013  7855.59  290.775  7437.91  640.715  7963.93  326.315  220.155   9.5350  228.286   4.6832 -8.131241 10.62299 
1 1 1   16    3   14 o  126.138   3.0597  2429.58  117.798  2430.52  151.222  2428.12  187.860  126.140   3.9278  126.045   4.8831 0.9497833E-01 6.266712 
1 1 1   16    3   15 o  163.882   7.4965  4112.87  374.976  3910.36  431.471  4737.85  757.990  159.439   8.9018  174.527   14.357 -15.08832 16.89242 
1 1 1   16    3   16 o  103.095   8.2317  1639.09  256.868  1473.86  291.896  2206.26  540.804   97.478   9.9503  118.441   15.318 -20.96339 18.26649 
1 1 1   16    3   17 o  174.534   3.3971  4652.20  180.969  4707.26  227.393  4557.08  298.872  175.529   4.2444  172.630   5.6722 2.898392 7.084373 
1 1 1   16    3   18 o  126.688   4.7721  2452.89  184.529  2328.77  323.289  2512.87  224.734  122.940   8.6711  128.187   5.7439 -5.247299 10.40097 
1 1 1   16    3   19 o  278.521   5.4710 11860.97  465.093 12657.36  655.759 11054.88  659.741  287.485   7.4733  268.596   8.0474 18.88922 10.98231 
1 1 1   16    3   20 o  110.248   3.9857  1856.82  134.118  1904.39  384.786  1850.24  143.092  110.651   11.564  110.045   4.2602 0.6062927 12.32385 
1 1 1   16    3   21 o  283.418   4.7658 12276.68  412.272 12227.31  540.289 12345.48  637.868  282.697   6.2616  283.923   7.3606 -1.225525 9.663666 
1 1 1   16    3   22 o  362.198   6.3010 20073.16  696.588 20698.69  946.982 19335.62  1028.28  367.417   8.4443  354.895   9.4928 12.52271 12.70514 
1 1 1   16    3   23 o  192.180   3.5179  5641.10  206.354  5600.00  332.068  5666.96  263.382  191.350   5.6857  192.570   4.4811 -1.219894 7.239259 
1 1 1   16    3   24 o  150.541   4.5378  3463.48  208.505  3482.47  247.905  3417.55  385.458  150.909   5.3821  149.034   8.5090 1.875671 10.06831 
1 1 1   16    3   25 o  356.682   5.9221 19463.93  644.725 20038.65  1627.71 19356.98  702.154  359.559   14.832  355.615   6.4690 3.944122 16.18100 
1 1 1   16    3   26 o  290.992   4.6590 12943.22  413.805 12657.00  608.360 13189.67  564.515  287.479   6.9332  293.556   6.3004 -6.076904 9.368279 
1 1 1   16    3   27 o  229.404   3.4663  8038.73  242.709  8003.81  293.616  8114.07  431.287  228.856   4.2034  230.253   6.1368 -1.396103 7.438365 
1 1 1   16    3   28 o  245.174   4.8886  9190.89  365.831  9335.94  404.861  8545.55  853.983  247.053   5.3691  235.018   11.944 12.03577 13.09559 
1 1 1   16    3   29 o  208.484   3.6449  6640.65  231.940  6775.71  325.641  6501.59  330.436  210.486   5.0687  206.169   5.2511 4.317703 7.298329 
1 1 1   16    3   30 o   80.795   3.5669  997.316   87.962  913.995  127.061  1074.00  121.895   77.100   5.4341   83.670   4.7930 -6.569740 7.245830 
1 1 1   16    3   31 o  166.163   4.5746  4221.67  232.010  4147.99  261.629  4492.90  502.004  164.661   5.2057  170.588   9.6813 -5.926895 10.99214 
1 1 1   16    3   32 o  231.235   5.0177  8179.80  354.139  7644.10  614.643  8446.01  433.289  222.934   9.0330  234.840   6.0449 -11.90630 10.86899 
1 1 1   16    3   33 o  102.043   3.4271  1591.01  106.739  1646.63  158.249  1544.58  144.580  103.742   4.9977  100.490   4.7138 3.252281 6.869997 
1 1 1   16    3   34 o  207.231   5.5392  6575.67  350.361  6571.87  410.580  6585.85  672.004  207.042   6.4971  206.187   10.715 0.8546906 12.53093 
1 1 1   16    3   35 o  210.726   3.2095  6784.88  206.432  7019.62  300.804  6575.90  283.814  214.205   4.6008  207.337   4.4848 6.867950 6.425017 
1 1 1   16    3   36 f  244.154   4.4898  9120.37  334.589  8919.18  524.541  9258.38  434.449  240.984   7.1314  245.789   5.7911 -4.804993 9.186574 
1 1 1   16    3   37 o  327.508   5.6813 16441.21  567.917 16033.42  838.061 16787.49  772.278  322.543   8.5128  330.348   7.6592 -7.805176 11.45123 
1 1 1   16    3   38 o  140.331   4.6267  3014.91  198.172  2728.22  405.987  3104.59  227.060  132.328   10.129  142.340   5.2263 -10.01180 11.39757 
1 1 1   16    3   39 f   66.694   3.1738  679.958   64.608  737.388  121.807  657.476   76.212   69.077   5.8318   65.447   3.8319 3.630463 6.978052 
1 1 1   16    3   40 o  210.965   3.8798  6810.56  249.822  6841.73  356.435  6780.48  350.251  211.152   5.5305  210.220   5.4587 0.9324036 7.770716 
1 1 1   16    3   41 o  150.033   4.8516  3451.26  222.171  3464.37  259.846  3415.61  428.398  150.191   5.6683  147.988   9.5350 2.202637 11.09262 
1 1 1   16    3   42 o  117.247   3.7108  2104.17  132.797  2115.87  208.084  2096.12  172.490  117.321   5.8109  116.902   4.8342 0.4186859 7.558857 
1 1 1   16    3   43 o  104.411   3.6552  1668.92  116.486  1677.88  185.401  1663.08  149.730  104.278   5.8487  104.121   4.7114 0.1565781 7.510297 
1 1 1   16    3   44 o   36.500   9.2134  215.602  102.653  229.974  131.365  193.061  164.513   37.792   10.831   36.169   12.382 1.622913 16.45020 
1 1 1   16    4    0 o   86.365   3.6500  1144.95   95.827  1144.95   95.827  1144.95   95.827   86.365   3.6500   86.365   3.6500 0.000000 0.000000 
1 1 1   16    4    1 o   92.703   2.6498  1312.06   74.977  1324.96   87.782  1277.27  144.172   93.150   3.0875   91.264   5.1972 1.886688 6.045077 
1 1 1   16    4    2 o  231.251   4.3731  8170.47  308.669  8393.88  422.857  7915.66  451.608  234.280   5.9134  227.459   6.5049 6.821213 8.791049 
1 1 1   16    4    3 o  315.267   5.0364 15191.52  484.635 14702.07  583.418 16281.09  870.477  310.030   6.1654  325.881   8.7515 -15.85059 10.70514 
1 1 1   16    4    4 o  301.045   6.9179 13870.47  635.653 12244.73  1183.42 14529.70  753.591  281.667   13.765  307.966   8.0171 -26.29880 15.92980 
1 1 1   16    4    5 o  142.675   4.8511  3110.97  211.255  2776.71  222.360  6208.70  676.917  134.770   5.4057  200.662   11.095 -65.89253 12.34217 
1 1 1   16    4    6 o  298.479   7.9540 13647.82  724.629 13647.82  724.629   0.0000   0.0000  298.479   7.9540  ?   ?  0.000000 7.953976 
1 1 1   16    4    7 f  160.724   3.9361  3945.97  193.094  3942.28  202.158  3984.42  652.170  160.641   4.1230  160.160   13.466 0.4819183 14.08310 
1 1 1   16    4    8 o  109.086   3.7584  1817.57  125.137  1867.22  185.536  1776.14  169.491  110.512   5.5005  107.795   5.1515 2.716988 7.536137 
1 1 1   16    4    9 o  125.452   5.0271  2405.51  192.493  3116.70  655.843  2338.47  201.362  141.075   15.486  123.680   5.3341 17.39533 16.37880 
1 1 1   16    4   10 o  280.172   13.089 12104.32  1119.27 12782.32  1610.40 11470.75  1556.73  285.865   18.557  270.592   18.969 15.27228 26.53627 
1 1 1   16    4   11 o  208.616   8.9882  6674.54  572.319  6999.49  704.754  6045.23  980.767  213.121   10.870  196.745   16.484 16.37616 19.74566 
1 1 1   16    4   12 o  286.434   4.8429 12538.91  423.398 12588.42  511.690 12431.40  753.992  286.905   5.8432  284.752   8.6753 2.153046 10.45962 
1 1 1   16    4   13 o  209.560   3.7845  6707.87  242.067  7038.48  294.309  6016.53  425.592  214.623   4.4927  198.253   7.0332 16.37001 8.345729 
1 1 1   16    4   14 o  298.741   9.6313 13697.77  878.207 13948.22  1017.84 12968.17  1737.23  301.184   11.072  287.371   19.929 13.81317 22.79836 
1 1 1   16    4   15 o  230.299   4.8994  8106.20  344.391  8106.20  344.391   0.0000   0.0000  230.299   4.8994  ?   ?  0.000000 4.899386 
1 1 1   16    4   16 o   42.165   8.2869  281.905  102.847  281.905  102.847   0.0000   0.0000   42.165   8.2869  ?   ?  0.000000 8.286927 
1 1 1   16    4   17 o  101.946   5.4363  1593.51  168.545  1453.75  260.488  1694.16  221.055   96.958   8.9015  104.977   6.9382 -8.018242 11.28604 
1 1 1   16    4   18 o  227.517   4.5707  7910.15  317.408  7836.58  341.594  8375.15  858.807  226.431   4.9426  232.879   12.124 -6.448196 13.09293 
1 1 1   16    4   19 o   52.877   10.307  444.170  160.376  454.394  182.066  408.764  338.804   53.332   11.521   52.839   17.770 0.4929428 21.17826 
1 1 1   16    4   20 o  230.165   5.1670  8098.67  362.987   0.0000   0.0000  8098.67  362.987  ?   ?   230.165   5.1670 0.000000 5.166961 
1 1 1   16    4   21 o  164.196   3.5091  4117.77  175.861  3997.76  222.900  4315.63  286.219  161.743   4.5151  167.991   5.5821 -6.247879 7.179537 
1 1 1   16    4   22 o  341.281   7.4289 17840.75  773.839 17797.69  950.240 17925.54  1333.39  340.546   9.1420  340.853   12.817 -0.3063965 15.74294 
1 1 1   16    4   23 o  266.852   5.0060 10886.12  407.735 10719.90  601.118 11027.77  554.900  264.532   7.4450  268.391   6.7738 -3.859253 10.06538 
1 1 1   16    4   24 f  237.041   6.4260  8599.92  464.920  8460.53  543.730  8978.97  896.607  234.979   7.5812  240.995   12.229 -6.016144 14.38857 
1 1 1   16    4   25 o  306.717   5.9444 14393.78  556.500 13823.25  1987.24 14442.33  579.694  294.974   22.236  307.202   6.1824 -12.22845 23.07935 
1 1 1   16    4   26 o  204.585   4.0110  6395.23  250.463  6508.08  282.506  5980.69  541.446  206.351   4.4854  197.365   8.9881 8.985062 10.04513 
1 1 1   16    4   27 o  285.485   4.6534 12459.03  405.479 12203.65  510.968 12893.35  666.355  282.396   5.9281  290.025   7.5275 -7.628418 9.581584 
1 1 1   16    4   28 o   56.680   8.1092  502.740  136.292  488.324  170.814  527.999  226.098   55.430   10.480   57.297   13.200 -1.867962 16.85471 
1 1 1   16    4   29 o   69.671   4.1680  744.510   88.226  781.195  172.111  731.435  102.753   70.897   8.0990   68.986   4.9120 1.910324 9.472127 
1 1 1   16    4   30 o  337.922   7.6337 17516.90  787.350 17467.54  917.543 17654.76  1533.39  337.130   8.9168  336.821   14.915 0.3097534 17.37757 
1 1 1   16    4   31 o  331.240   6.1319 16803.25  619.944 17016.83  928.016 16631.12  833.110  332.629   9.1407  329.062   8.2948 3.566711 12.34325 
1 1 1   16    4   32 f   66.195   4.8792  673.892   97.885  680.418  668.500  673.750   98.952   69.133   24.855   66.182   4.9340 2.950569 25.34046 
1 1 1   16    4   33 o   64.829   4.6400  646.106   91.206  757.797  160.929  593.255  110.702   69.838   7.6762   61.955   5.9265 7.883865 9.697824 
1 1 1   16    4   34 o   88.916   5.8683  1216.41  158.364  1137.56  492.619  1225.49  167.241   82.973   19.739   89.210   6.1801 -6.237289 20.68357 
1 1 1   16    4   35 o  165.681   3.3621  4194.90  170.021  4280.64  316.178  4160.02  201.658  167.094   6.1994  164.944   4.0056 2.150421 7.380885 
1 1 1   16    4   36 o  140.122   3.8272  3002.10  163.682  2995.58  268.697  3005.94  206.399  139.744   6.2996  140.134   4.8256 -0.3894958 7.935427 
1 1 1   16    4   37 o   85.002   4.7277  1109.54  122.172  1273.11  196.578  1006.59  155.947   90.733   7.1564   80.736   6.3804 9.996910 9.587687 
1 1 1   16    4   38 o  164.687   4.1889  4150.32  210.561  4452.26  304.905  3875.04  291.128  170.352   5.8641  158.906   6.0024 11.44591 8.391434 
1 1 1   16    4   39 o  198.776   4.1769  6047.81  253.415  6169.01  276.331  5406.65  635.575  200.708   4.5107  185.915   11.253 14.79312 12.12380 
1 1 1   16    4   40 o   55.169   5.0694  470.593   84.408  445.707  157.537  480.614   99.968   52.688   10.164   55.618   5.9829 -2.929863 11.79444 
1 1 1   16    4   41 o  106.434   3.4422  1732.98  111.823  2003.02  185.378  1578.52  140.203  114.235   5.3167  101.491   4.5260 12.74454 6.982263 
1 1 1   16    4   42 o  143.942   5.4921  3183.18  241.291  3312.99  751.317  3168.25  254.788  141.589   17.777  143.546   5.8153 -1.957703 18.70403 
1 1 1   16    4   43 o  166.579   4.3756  4254.21  222.473  4170.15  320.202  4332.65  309.330  164.502   6.3773  167.760   6.0411 -3.257935 8.784328 
1 1 1   16    4   44 o   52.259   7.5612  431.264  117.101   0.0000   0.0000  431.264  117.101  ?   ?    52.259   7.5612 0.000000 7.561213 
1 1 1   16    5    0 o   95.332   4.5103  1397.27  130.569  1397.27  130.569  1397.27  130.569   95.332   4.5103   95.332   4.5103 0.000000 0.000000 
1 1 1   16    5    1 o  178.672   3.2041  4874.92  174.733  4867.64  222.785  4886.56  281.661  178.503   4.0890  178.797   5.1612 -0.2931976 6.584686 
1 1 1   16    5    2 o  331.346   4.9990 16780.49  505.574 16782.75  646.979 16776.93  810.235  331.209   6.3999  330.919   8.0218 0.2902222 10.26196 
1 1 1   16    5    3 o  204.708   3.8247  6400.87  238.976  6252.94  246.210  8807.68  993.127  202.321   3.9870  238.506   13.700 -36.18521 14.26822 
1 1 1   16    5    4 o  117.550   3.6100  2110.47  129.524  2110.47  129.524   0.0000   0.0000  117.550   3.6100  ?   ?  0.000000 3.610022 
1 1 1   16    5    5 o  177.582   4.2555  4817.92  230.656  4657.77  307.333  5024.46  349.023  174.525   5.7695  181.229   6.3097 -6.703979 8.549788 
1 1 1   16    5    6 o  248.193   5.0170  9415.23  380.060  9061.10  511.292  9852.54  568.167  243.317   6.8846  253.671   7.3382 -10.35429 10.06213 
1 1 1   16    5    7 f  344.029   22.041 18665.77  2302.29 18665.77  2302.29   0.0000   0.0000  344.029   22.041  ?   ?  0.000000 22.04137 
1 1 1   16    5    9 o  339.857   8.9048 17712.73  923.713 18368.05  2257.83 17581.00  1012.31  341.364   21.783  338.418   9.8004 2.945831 23.88655 
1 1 1   16    5   10 o  269.853   5.2137 11131.82  429.427 10957.29  587.289 11332.36  629.508  267.528   7.1923  272.020   7.5820 -4.492279 10.45062 
1 1 1   16    5   11 o  374.343   4.6316 21414.15  529.196 21223.45  683.089 21700.42  836.915  372.505   6.0080  376.471   7.2834 -3.966492 9.441571 
1 1 1   16    5   12 o  281.817   6.1714 12148.99  530.841 12823.35  926.616 11819.56  647.652  288.890   10.509  277.796   7.6383 11.09341 12.99144 
1 1 1   16    5   13 o  116.855   7.0861  2097.99  251.542  2131.18  297.248  2014.29  472.106  117.629   8.3331  113.387   13.935 4.241478 16.23625 
1 1 1   16    5   14 o  105.949   3.6516  1714.51  118.084  1719.34  122.712  1654.10  434.070  106.095   3.7895  102.520   14.258 3.574905 14.75281 
1 1 1   16    5   15 o   50.822   7.8283  404.827  117.534  404.827  117.534   0.0000   0.0000   50.822   7.8283  ?   ?  0.000000 7.828279 
1 1 1   16    5   16 o  227.117   5.7498  7888.32  398.583  7888.32  398.583   0.0000   0.0000  227.117   5.7498  ?   ?  0.000000 5.749796 
1 1 1   16    5   17 o   81.045   8.0970  1016.45  197.612  1016.45  197.612   0.0000   0.0000   81.045   8.0970  ?   ?  0.000000 8.097000 
1 1 1   16    5   18 o  177.268   4.4085  4801.62  238.528  4557.68  343.360  5029.15  331.606  172.580   6.5184  181.325   5.9917 -8.744766 8.853819 
1 1 1   16    5   19 o  197.265   5.5785  5950.62  335.882  5774.96  380.314  6573.37  716.080  194.269   6.4139  206.364   11.413 -12.09508 13.09179 
1 1 1   16    5   20 o  187.652   5.9102  5386.27  338.513  5242.08  986.784  5405.51  360.382  182.594   17.937  187.959   6.2818 -5.364395 19.00557 
1 1 1   16    5   21 o  286.404   7.8074 12569.33  682.501   0.0000   0.0000 12569.33  682.501  ?   ?   286.404   7.8074 0.000000 7.807427 
1 1 1   16    5   22 o  120.342   3.3666  2211.88  123.659  2140.98  163.836  2305.74  188.508  118.361   4.5351  122.811   5.0290 -4.449821 6.771806 
1 1 1   16    5   23 o   57.715   4.5264  512.206   79.098  416.452  159.876  543.239   91.017   51.108   10.597   59.394   5.0693 -8.285557 11.74679 
1 1 1   16    5   24 o  230.750   10.545  8191.06  742.693  7680.31  1328.51  8423.25  895.739  220.364   19.969  233.267   12.628 -12.90269 23.62654 
1 1 1   16    5   25 o   50.049   6.4616  389.787   96.404  524.690  477.193  384.046   98.433   60.539   21.068   49.643   6.6646 10.89600 22.09731 
1 1 1   16    5   26 o   85.071   3.4605  1105.49   89.854  1247.38  132.741  985.486  122.073   90.197   4.8393   80.125   5.0168 10.07268 6.970468 
1 1 1   16    5   27 f  108.973   5.2529  1816.27  174.716  1604.63  186.219  3372.18  504.920  102.219   5.9949  147.478   11.303 -45.25873 12.79446 
1 1 1   16    5   28 o  148.975   9.1744  3423.39  415.135  3547.72  612.889  3318.00  564.297  150.763   13.461  145.920   12.799 4.842255 18.57436 
1 1 1   16    5   29 o  331.004   7.5054 16802.77  758.275 17011.74  883.945 16220.59  1475.44  332.776   8.7027  322.878   14.972 9.898193 17.31715 
1 1 1   16    5   30 o  125.205   3.8275  2395.58  146.271  2454.48  233.894  2357.76  187.448  126.607   6.0526  124.157   4.9464 2.450768 7.816739 
1 1 1   16    5   31 o   77.565   4.0922  922.187   96.538  912.897  191.379  925.357  111.804   76.646   8.3140   77.640   4.7407 -0.9941330 9.570574 
1 1 1   16    5   32 o   63.302   4.8702  616.627   93.376  656.837  178.777  601.543  109.499   64.671   9.3266   62.407   5.8155 2.264053 10.99118 
1 1 1   16    5   33 o   97.853   4.0407  1463.88  120.684  1493.45  137.812  1366.62  249.947   98.812   4.5694   93.829   8.8315 4.983025 9.943586 
1 1 1   16    5   34 o  174.846   3.4548  4671.94  184.373  5143.28  321.711  4441.41  224.986  183.229   5.7525  170.410   4.3256 12.81859 7.197329 
1 1 1   16    5   35 o   13.890   6.4795 -64.4997   67.479 -119.0763  142.093 -48.6076   76.676   20.585   9.5340   15.838   7.2115 4.747118 11.95420 
1 1 1   16    5   36 o  190.124   4.7007  5532.93  272.782  5343.21  1055.38  5546.52  282.377  181.717   19.325  190.337   4.8606 -8.620529 19.92652 
1 1 1   16    5   37 o  107.110   6.4626  1767.90  210.290   0.0000   0.0000  1767.90  210.290  ?   ?   107.110   6.4626 0.000000 6.462639 
1 1 1   16    5   38 o  199.984   4.6797  6125.08  285.645  6150.46  295.123  5748.77  1136.27  200.376   4.8255  187.140   20.214 13.23576 20.78196 
1 1 1   16    5   39 o  183.169   6.2904  5156.24  351.680  5156.24  351.680   0.0000   0.0000  183.169   6.2904  ?   ?  0.000000 6.290390 
1 1 1   16    5   40 o  124.691   3.3916  2378.08  129.080  2328.65  165.365  2455.17  206.507  123.295   4.3942  126.486   5.3491 -3.191162 6.922546 
1 1 1   16    5   41 o   78.382   5.5124  948.214  131.038  997.242  166.335  868.008  212.747   80.151   6.8655   74.107   9.6334 6.043945 11.82950 
1 1 1   16    5   42 o  138.391   4.6859  2937.59  197.931  3050.12  237.503  2681.72  358.121  140.879   5.5234  131.050   9.0079 9.829239 10.56644 
1 1 1   16    5   43 o   38.834   7.4396  240.862   84.972  457.672  545.094  235.462   86.024   57.686   22.110   38.354   7.6170 19.33248 23.38497 
1 1 1   16    6    0 o  318.425   7.6033 15532.87  738.018 15532.87  738.018 15532.87  738.018  318.425   7.6033  318.425   7.6033 0.000000 0.000000 
1 1 1   16    6    1 o  471.417   9.1017 34087.10  1309.61 36492.59  2367.61 33026.66  1571.99  485.226   15.986  463.453   11.113 21.77213 19.46948 
1 1 1   16    6    2 o  159.725   4.7576  3898.82  231.942  3775.11  262.829  4334.30  493.133  157.135   5.4800  167.772   9.6710 -10.63699 11.11572 
1 1 1   16    6    3 o  209.176   6.8246  6696.48  435.718  6833.88  550.287  6465.57  713.382  211.141   8.5388  204.696   11.464 6.445877 14.29480 
1 1 1   16    6    4 o  307.262   6.9996 14451.27  656.450 14097.57  696.951 17231.94  1954.14  303.408   7.5259  331.703   19.386 -28.29510 20.79542 
1 1 1   16    6    5 o   85.327   8.9417  1128.62  229.418  866.285  239.813  3959.35  787.756   74.301   10.898  158.944   16.477 -84.64339 19.75541 
1 1 1   16    6    6 o  122.788   4.2029  2303.41  157.514  2298.68  171.973  2328.03  392.456  122.649   4.5939  122.641   10.588 0.8567810E-02 11.54176 
1 1 1   16    6    7 o  478.618   30.842 37132.28  4481.59   0.0000   0.0000 37132.28  4481.59  ?   ?   478.618   30.842 0.000000 30.84212 
1 1 1   16    6    8 f  151.721   6.2825  3521.56  290.934  3521.56  290.934   0.0000   0.0000  151.721   6.2825  ?   ?  0.000000 6.282502 
1 1 1   16    6    9 o  149.178   5.4840  3402.56  249.700  3402.56  249.700   0.0000   0.0000  149.178   5.4840  ?   ?  0.000000 5.483980 
1 1 1   16    6   10 o  282.089   6.9169 12179.96  595.548 12179.96  595.548   0.0000   0.0000  282.089   6.9169  ?   ?  0.000000 6.916924 
1 1 1   16    6   11 f  182.368   7.0130  5091.04  390.361  5151.77  462.180  4939.89  729.121  183.344   8.2590  178.418   13.488 4.926010 15.81613 
1 1 1   16    6   12 f   23.143   9.0210   49.688   91.886   41.448   98.353  106.232  257.643   23.193   9.2424   37.289   14.925 -14.09620 17.55539 
1 1 1   16    6   13 o  354.669   5.4976 19233.23  595.133 19291.63  719.159 19106.32  1060.08  355.054   6.6361  352.764   9.8455 2.290070 11.87313 
1 1 1   16    6   14 f  144.434   3.6858  3186.36  162.488  3028.96  228.997  3345.96  230.596  140.756   5.3302  147.949   5.1065 -7.193237 7.381581 
1 1 1   16    6   15 f  223.462   3.9417  7628.18  268.846  7519.03  327.085  7855.49  472.018  221.803   4.8314  226.546   6.8263 -4.742538 8.363083 
1 1 1   16    6   16 o   92.834   19.543  1395.13  536.228  1395.13  536.228   0.0000   0.0000   92.834   19.543  ?   ?  0.000000 19.54272 
1 1 1   16    6   17 o  109.896   5.6547  1851.77  189.031  1851.77  189.031   0.0000   0.0000  109.896   5.6547  ?   ?  0.000000 5.654671 
1 1 1   16    6   18 o  146.648   4.0194  3285.45  179.911  3313.39  263.592  3261.08  246.165  147.183   5.8676  146.035   5.5227 1.147797 8.057848 
1 1 1   16    6   19 o  124.053   5.0637  2352.54  191.732  2359.76  206.910  2308.70  510.000  124.226   5.4570  121.436   14.017 2.790184 15.04181 
1 1 1   16    6   20 o  282.796   19.091 12556.20  1638.18   0.0000   0.0000 12556.20  1638.18  ?   ?   282.796   19.091 0.000000 19.09070 
1 1 1   16    6   21 o  143.982   10.985  3208.04  479.096   0.0000   0.0000  3208.04  479.096  ?   ?   143.982   10.985 0.000000 10.98466 
1 1 1   16    6   22 o  337.348   9.0384 17467.43  930.653 17037.04  1012.53 19810.35  2362.40  332.961   9.9632  353.715   21.991 -20.75385 24.14239 
1 1 1   16    6   23 f  229.403   5.2559  8047.31  368.011  7718.66  539.787  8332.74  503.046  224.391   7.8813  233.249   7.0660 -8.857452 10.58506 
1 1 1   16    6   24 o  288.806   5.3860 12756.65  474.778 13153.58  703.530 12424.71  643.370  292.908   7.8693  284.752   7.4025 8.155914 10.80381 
1 1 1   16    6   25 o  117.331   3.7516  2103.22  134.352  1951.55  237.473  2174.61  162.935  112.663   6.9396  119.279   4.4754 -6.615929 8.257577 
1 1 1   16    6   26 o  284.000   5.5033 12338.76  477.044 12343.54  525.444 12316.31  1137.94  283.982   6.0620  282.128   13.215 1.854767 14.53880 
1 1 1   16    6   27 o  131.121   4.4082  2628.03  176.420  2628.03  176.420   0.0000   0.0000  131.121   4.4082  ?   ?  0.000000 4.408165 
1 1 1   16    6   28 f  279.273   14.133 12137.58  1200.75 12137.58  1200.75   0.0000   0.0000  279.273   14.133  ?   ?  0.000000 14.13263 
1 1 1   16    6   29 o   37.226   7.2506  219.739   79.420  319.418  157.937  186.003   91.882   44.648   11.515   34.150   8.7695 10.49834 14.47380 
1 1 1   16    6   30 o  171.785   3.6366  4509.26  190.679  4439.82  243.832  4618.59  305.935  170.386   4.6886  173.689   5.7708 -3.303040 7.435389 
1 1 1   16    6   31 o  158.056   4.2659  3819.49  205.795  4093.14  311.066  3606.49  274.439  163.451   6.2352  153.462   5.8591 9.989151 8.556066 
1 1 1   16    6   32 o  155.615   5.5155  3707.65  261.973  3769.46  297.709  3495.55  551.475  156.838   6.2190  149.693   12.176 7.145538 13.67188 
1 1 1   16    6   33 o   95.615   3.5894  1397.25  104.753  1431.42  187.749  1381.81  126.227   96.412   6.4168   95.053   4.3508 1.359268 7.752739 
1 1 1   16    6   34 o  141.147   3.3785  3044.65  145.552  3140.02  190.173  2909.77  226.156  143.276   4.3487  137.839   5.3755 5.436630 6.914274 
1 1 1   16    6   35 o  160.992   5.6685  3972.14  278.541   0.0000   0.0000  3972.14  278.541  ?   ?   160.992   5.6685 0.000000 5.668502 
1 1 1   16    6   36 o   52.096   3.3502  416.553   52.988  726.692  636.935  414.392   53.173   69.007   24.320   51.958   3.3711 17.04924 24.55204 
1 1 1   16    6   37 f   25.964   9.4129   86.391   96.136  114.302  146.004   65.029  127.734   30.902   11.531   26.891   10.590 4.011089 15.65647 
1 1 1   16    6   38 o  182.152   5.0078  5085.28  278.416  5341.04  320.147  4291.58  563.974  186.573   5.6219  165.561   11.227 21.01180 12.55581 
1 1 1   16    6   39 o   93.388   5.2796  1342.12  149.874  1451.19  177.825  1074.65  278.478   97.000   6.0362   82.194   11.408 14.80553 12.90632 
1 1 1   16    6   40 o  161.788   3.7332  4006.06  184.352  4279.90  278.209  3791.69  246.151  166.956   5.4595  157.201   5.1301 9.754959 7.491607 
1 1 1   16    6   41 o   92.153   2.8434  1298.34   79.978  1558.40  169.319  1223.66   90.739  100.560   5.5378   89.434   3.3241 11.12623 6.458882 
1 1 1   16    6   42 f   74.505   5.5409  857.994  125.103  881.626  156.509  816.175  208.198   75.274   6.8884   71.701   9.7676 3.573662 11.95224 
1 1 1   16    6   43 o   98.174   3.4194  1475.33  102.461   0.0000   0.0000  1475.33  102.461  ?   ?    98.174   3.4194 0.000000 3.419366 
1 1 1   16    7    0 o  101.752   4.4471  1590.23  137.512  1590.23  137.512  1590.23  137.512  101.752   4.4471  101.752   4.4471 0.000000 0.000000 
1 1 1   16    7    1 o  157.179   4.0391  3774.12  193.777  3930.35  225.158  3327.88  380.526  160.376   4.5997  147.097   8.5119 13.27885 9.675193 
1 1 1   16    7    2 o  321.168   6.9066 15788.19  677.037 15065.70  825.878 17268.66  1182.22  313.474   8.6317  335.000   11.562 -21.52631 14.42879 
1 1 1   16    7    3 o  444.635   9.5723 30342.76  1299.08 31141.88  2552.21 30063.32  1509.22  446.905   18.710  442.127   11.184 4.777649 21.79810 
1 1 1   16    7    4 o  352.105   10.969 19061.82  1178.83 15372.62  1408.62 27684.33  2153.50  315.291   14.637  422.272   16.708 -106.9815 22.21324 
1 1 1   16    7    5 o  239.159   11.634  8802.36  849.260  6156.40  1119.46 12389.91  1303.51  197.869   18.760  282.528   15.172 -84.65930 24.12709 
1 1 1   16    7    6 o  178.902   3.7625  4888.76  205.453  4543.17  287.579  5249.03  293.624  172.378   5.4658  185.303   5.1915 -12.92455 7.538378 
1 1 1   16    7    7 o  180.449   4.6071  4975.88  253.744  4454.16  373.057  5425.05  346.148  170.567   7.1658  188.330   6.0218 -17.76219 9.360035 
1 1 1   16    7    8 o  257.312   5.5981 10124.07  439.661  9531.70  617.946 10731.34  625.675  249.403   8.1177  264.681   7.7448 -15.27821 11.21956 
1 1 1   16    7    9 o  358.498   9.3455 19720.58  1022.60 19720.58  1022.60   0.0000   0.0000  358.498   9.3455  ?   ?  0.000000 9.345517 
1 1 1   16    7   10 o  190.217   10.833  5580.03  626.321  5580.03  626.321   0.0000   0.0000  190.217   10.833  ?   ?  0.000000 10.83259 
1 1 1   16    7   11 f   98.735   9.4522  1509.54  281.372  1509.54  281.372   0.0000   0.0000   98.735   9.4522  ?   ?  0.000000 9.452245 
1 1 1   16    7   12 o  325.878   7.3961 16262.61  735.659 15813.51  1385.24 16439.03  868.209  319.878   14.188  327.427   8.6875 -7.548950 16.63653 
1 1 1   16    7   13 o  382.114   6.4879 22342.34  756.686 22146.50  992.301 22614.44  1169.67  380.064   8.5540  383.737   9.9865 -3.673401 13.14921 
1 1 1   16    7   14 o  407.564   5.7501 25403.50  715.294 24812.34  863.596 26695.26  1276.57  402.585   7.0281  416.902   10.032 -14.31747 12.24901 
1 1 1   16    7   15 o   75.727   4.8440  880.056  111.376  665.238  465.363  893.108  114.709   65.507   20.753   76.279   4.9537 -10.77212 21.33590 
1 1 1   16    7   16 f   84.220   5.6792  1089.65  145.138  1089.65  145.138   0.0000   0.0000   84.220   5.6792  ?   ?  0.000000 5.679228 
1 1 1   16    7   17 o  328.318   8.7156 16532.55  873.388 16532.55  873.388   0.0000   0.0000  328.318   8.7156  ?   ?  0.000000 8.715574 
1 1 1   16    7   18 o  200.135   4.6591  6121.53  284.603  5960.89  405.978  6276.77  399.088  197.335   6.7403  202.521   6.4563 -5.186310 9.333554 
1 1 1   16    7   19 o  321.004   9.2779 15817.61  909.033   0.0000   0.0000 15817.61  909.033  ?   ?   321.004   9.2779 0.000000 9.277946 
1 1 1   16    7   20 o   93.985   5.1292  1354.52  146.583   0.0000   0.0000  1354.52  146.583  ?   ?    93.985   5.1292 0.000000 5.129231 
1 1 1   16    7   21 o  195.413   15.317  5958.93  906.274   0.0000   0.0000  5958.93  906.274  ?   ?   195.413   15.317 0.000000 15.31729 
1 1 1   16    7   22 f  183.405   6.3632  5148.58  356.210  5148.58  356.210   0.0000   0.0000  183.405   6.3632  ?   ?  0.000000 6.363234 
1 1 1   16    7   23 o  205.271   12.719  6532.34  792.940  6532.34  792.940   0.0000   0.0000  205.271   12.719  ?   ?  0.000000 12.71861 
1 1 1   16    7   24 o  195.534   4.4381  5843.78  264.875  6405.37  375.228  5286.00  373.953  204.585   6.0090  185.798   6.5941 18.78665 8.921396 
1 1 1   16    7   25 o   81.670   3.6174  1018.98   90.172  1159.90  124.836  865.241  130.390   86.975   4.7202   74.980   5.7411 11.99516 7.432415 
1 1 1   16    7   26 f  148.101   4.1544  3352.19  187.794  3630.73  282.480  3131.57  251.393  154.011   6.0092  143.051   5.7576 10.96056 8.322328 
1 1 1   16    7   27 o  108.010   3.8515  1782.66  126.973  1886.03  137.775  1199.98  327.116  111.089   4.0634   87.202   12.660 23.88679 13.29627 
1 1 1   16    7   28 o  142.238   3.9530  3091.96  171.615  3031.03  213.589  3202.95  288.270  140.772   4.9710  144.592   6.5319 -3.820068 8.208331 
1 1 1   16    7   29 o  292.864   5.7054 13129.84  509.995 13393.42  755.216 12908.87  691.474  295.263   8.3800  289.998   7.8120 5.264313 11.45656 
1 1 1   16    7   30 o  124.348   4.6466  2364.84  176.357  2254.37  248.452  2477.02  250.372  121.078   6.7498  126.970   6.4821 -5.891937 9.358282 
1 1 1   16    7   31 o  167.525   5.5380  4296.90  283.173  4223.80  873.030  4305.50  299.358  162.759   17.868  167.661   5.8498 -4.901733 18.80097 
1 1 1   16    7   32 o  183.861   4.3035  5169.79  241.506  5793.45  363.698  4677.92  322.995  194.428   6.1286  174.718   6.0568 19.71002 8.616538 
1 1 1   16    7   33 o  179.070   3.0801  4899.27  168.348  5076.50  246.491  4744.32  230.476  182.169   4.4331  176.122   4.2874 6.047485 6.167200 
1 1 1   16    7   34 o  166.270   4.2313  4228.80  214.734  4063.26  320.458  4363.69  289.287  162.734   6.4517  168.752   5.6165 -6.018250 8.553918 
1 1 1   16    7   35 o   33.513   7.0046  178.962   69.342  162.443  139.634  184.368   79.888   33.557   11.407   33.941   7.8654 -0.3836479 13.85620 
1 1 1   16    7   36 o  103.934   3.2304  1651.18  102.480  1622.65  185.483  1663.72  122.950  102.669   5.9444  104.293   3.8624 -1.623375 7.089009 
1 1 1   16    7   37 o   84.578   4.5515  1098.60  117.065  1108.76  123.602  1010.18  364.788   84.941   4.7870   78.480   15.776 6.460526 16.48617 
1 1 1   16    7   38 o  159.612   6.0193  3913.66  293.242  3913.66  293.242   0.0000   0.0000  159.612   6.0193  ?   ?  0.000000 6.019257 
1 1 1   16    7   39 o   55.848   9.6081  497.707  157.875  497.707  157.875   0.0000   0.0000   55.848   9.6081  ?   ?  0.000000 9.608139 
1 1 1   16    7   40 o   39.704   5.1342  245.915   60.763  310.631   98.372  205.992   77.264   44.246   7.5554   35.899   7.3000 8.346706 10.50589 
1 1 1   16    7   41 o   84.159   3.8367  1084.62   98.554  1181.09  177.145  1041.38  118.604   87.266   6.7019   82.254   4.7443 5.011253 8.211185 
1 1 1   16    7   42 o  131.537   8.8260  2703.63  352.291   0.0000   0.0000  2703.63  352.291  ?   ?   131.537   8.8260 0.000000 8.825958 
1 1 1   16    8    0 o  140.772   4.9435  3038.14  211.811  3038.14  211.811  3038.14  211.811  140.772   4.9435  140.772   4.9435 0.000000 0.000000 
1 1 1   16    8    1 o  303.561   9.4568 14141.86  876.203 14264.28  1238.93 14019.36  1239.35  304.031   13.351  301.379   13.473 2.652008 18.96753 
1 1 1   16    8    2 o  459.414   9.7980 32404.21  1373.90 33809.33  2699.27 31912.91  1596.13  465.440   19.001  455.409   11.483 10.03085 22.20084 
1 1 1   16    8    3 o  129.437   4.6703  2560.33  184.509  2568.17  198.717  2511.33  496.879  129.621   5.0228  126.966   13.005 2.655151 13.94148 
1 1 1   16    8    4 o  270.986   6.5757 11237.13  543.882 10625.45  574.309 16555.26  1693.42  263.443   7.1424  325.972   17.080 -62.52917 18.51299 
1 1 1   16    8    5 o  232.751   4.8089  8279.42  341.632  7965.21  368.162 10226.85  916.559  228.258   5.2844  257.772   11.649 -29.51494 12.79201 
1 1 1   16    8    6 o  271.382   4.8856 11256.41  404.683 10828.59  599.191 11615.23  548.747  265.919   7.3824  275.512   6.5255 -9.592407 9.853037 
1 1 1   16    8    7 o  129.118   3.9333  2546.75  155.011  2348.47  246.923  2675.71  199.141  123.710   6.5629  132.310   4.9312 -8.600212 8.209037 
1 1 1   16    8    8 o  165.492   5.1675  4186.69  261.018  4186.69  261.018   0.0000   0.0000  165.492   5.1675  ?   ?  0.000000 5.167461 
1 1 1   16    8    9 o  151.096   3.8018  3487.29  175.332  3327.83  251.039  3639.15  244.987  147.523   5.5752  154.289   5.2022 -6.765686 7.625388 
1 1 1   16    8   10 o  165.982   10.612  4251.41  534.826  4251.41  534.826   0.0000   0.0000  165.982   10.612  ?   ?  0.000000 10.61239 
1 1 1   16    8   11 o  339.997   15.243 17902.95  1581.89 17902.95  1581.89   0.0000   0.0000  339.997   15.243  ?   ?  0.000000 15.24342 
1 1 1   16    8   12 o  349.396   14.438 18879.79  1539.69 18879.79  1539.69   0.0000   0.0000  349.396   14.438  ?   ?  0.000000 14.43768 
1 1 1   16    8   13 o   33.896   9.5579  181.031  103.156  181.031  103.156   0.0000   0.0000   33.896   9.5579  ?   ?  0.000000 9.557917 
1 1 1   16    8   14 o  317.300   14.431 15573.46  1397.62 15825.14  1990.74 15328.85  1962.62  317.006   20.688  311.958   20.730 5.048218 29.28702 
1 1 1   16    8   15 o  107.230   27.066  1908.08  885.931  1908.08  885.931   0.0000   0.0000  107.230   27.066  ?   ?  0.000000 27.06622 
1 1 1   16    8   16 o  140.687   23.711  3209.48  981.966  3209.48  981.966   0.0000   0.0000  140.687   23.711  ?   ?  0.000000 23.71096 
1 1 1   16    8   17 o  180.784   6.2488  5000.97  344.803  5000.97  344.803   0.0000   0.0000  180.784   6.2488  ?   ?  0.000000 6.248775 
1 1 1   16    8   18 o  157.554   3.4463  3791.42  165.732  3938.06  211.535  3558.33  266.696  160.535   4.3171  152.524   5.7288 8.010483 7.173311 
1 1 1   16    8   19 o  135.868   5.3621  2822.92  222.368   0.0000   0.0000  2822.92  222.368  ?   ?   135.868   5.3621 0.000000 5.362141 
1 1 1   16    8   20 o  199.527   6.4986  6094.08  395.768   0.0000   0.0000  6094.08  395.768  ?   ?   199.527   6.4986 0.000000 6.498637 
1 1 1   16    8   21 o  334.988   6.7857 17183.81  693.808 17373.54  983.410 16995.77  978.990  336.266   9.5815  332.575   9.6443 3.690796 13.59479 
1 1 1   16    8   22 o  237.103   4.2935  8591.51  310.720  8853.16  398.015  8183.19  497.202  240.587   5.4201  231.127   7.0480 9.460129 8.891130 
1 1 1   16    8   23 o  463.688   9.9702 33067.91  1411.07 35152.86  3707.03 32714.63  1525.94  467.018   26.111  460.877   10.848 6.140778 28.27435 
1 1 1   16    8   24 o  152.720   4.2423  3564.60  197.747  3749.71  299.269  3421.14  263.456  156.501   6.2651  149.522   5.7728 6.978149 8.519181 
1 1 1   16    8   25 o  138.020   2.9756  2909.35  125.354  3118.23  167.681  2644.73  188.735  142.853   3.8457  131.521   4.7016 11.33273 6.074055 
1 1 1   16    8   26 o   45.675   13.688  327.158  205.880  489.938  678.680  310.660  216.061   64.486   24.681   44.948   14.129 19.53719 28.43916 
1 1 1   16    8   27 o  264.128   4.9852 10670.89  401.896 10844.94  423.607  9102.29  1271.68  266.246   5.2127  240.320   17.456 25.92506 18.21766 
1 1 1   16    8   28 o  303.570   4.8465 14095.44  449.055 13297.28  565.234 15461.29  739.407  294.625   6.2855  317.412   7.6321 -22.78726 9.887198 
1 1 1   16    8   29 o  179.121   8.3153  4930.50  454.614  5033.22  649.362  4831.77  636.668  179.955   11.889  176.299   11.901 3.656143 16.82264 
1 1 1   16    8   30 o  189.969   4.7023  5520.43  272.656  5611.56  364.130  5404.12  411.365  191.361   6.2343  187.665   7.1817 3.696320 9.510143 
1 1 1   16    8   31 o  312.066   6.1390 14925.15  584.735 15387.01  868.851 14542.76  790.563  316.089   9.0057  307.469   8.4240 8.619843 12.33155 
1 1 1   16    8   32 o   38.750   6.7293  236.959   76.702  279.871  612.800  236.276   77.310   56.766   22.913   38.681   6.7962 18.08447 23.89991 
1 1 1   16    8   33 o  191.062   5.5994  5593.49  326.535  5616.53  1028.31  5590.91  344.359  187.104   18.238  190.974   5.9077 -3.869537 19.17100 
1 1 1   16    8   34 o  216.635   3.8639  7177.03  255.490  7105.01  458.407  7209.48  307.714  215.042   6.9841  217.025   4.6454 -1.982635 8.387936 
1 1 1   16    8   35 o   88.708   2.6817  1202.21   72.609  1086.07  129.029  1256.03   87.836   84.048   5.0532   90.652   3.1745 -6.603554 5.967604 
1 1 1   16    8   36 o  160.077   4.7417  3925.09  231.674  4245.77  292.290  3383.18  379.969  166.343   5.7569  147.791   8.4585 18.55203 10.23171 
1 1 1   16    8   37 o  162.708   11.209  4149.63  553.259  4656.49  908.420  3850.78  697.551  169.112   17.870  155.147   14.914 13.96498 23.27599 
1 1 1   16    8   38 o  155.881   4.4148  3722.49  210.052  3722.49  210.052   0.0000   0.0000  155.881   4.4148  ?   ?  0.000000 4.414839 
1 1 1   16    8   39 f  122.735   5.7681  2315.23  216.081  2315.23  216.081   0.0000   0.0000  122.735   5.7681  ?   ?  0.000000 5.768082 
1 1 1   16    8   40 o   68.135   3.6696  712.715   76.032  666.734  113.485  750.163  102.416   65.606   5.7247   69.757   4.8401 -4.151772 7.496604 
1 1 1   16    8   41 o   62.225   3.4033  594.362   64.392   0.0000   0.0000  594.362   64.392  ?   ?    62.225   3.4033 0.000000 3.403293 
1 1 1   16    9    0 o  188.697   5.3038  5452.50  304.926  5452.50  304.926  5452.50  304.926  188.697   5.3038  188.697   5.3038 0.000000 0.000000 
1 1 1   16    9    1 o   73.190   4.0582  820.874   90.302  790.370   99.042  971.185  219.855   71.775   4.5444   79.022   9.2928 -7.247314 10.34448 
1 1 1   16    9    2 o  356.483   7.8458 19469.83  853.676 19556.44  915.949 18897.08  2355.46  357.173   8.4019  345.737   22.442 11.43616 23.96350 
1 1 1   16    9    3 o  195.969   4.1714  5867.34  249.509  6055.54  333.430  5627.84  376.136  199.006   5.4893  191.782   6.4257 7.224518 8.451180 
1 1 1   16    9    4 o  273.172   10.633 11470.29  886.541 11470.29  886.541   0.0000   0.0000  273.172   10.633  ?   ?  0.000000 10.63275 
1 1 1   16    9    5 o  198.291   5.4618  6012.00  330.562  5851.64  353.867  7110.54  926.186  195.596   5.9274  214.012   14.261 -18.41682 15.44336 
1 1 1   16    9    6 o  223.407   4.6416  7627.43  316.503  7533.46  349.344  8057.90  747.713  221.991   5.1559  228.946   10.700 -6.955200 11.87743 
1 1 1   16    9    7 o  192.952   5.7255  5693.75  337.197  5752.93  414.869  5578.55  578.807  193.851   7.0117  190.324   9.9988 3.526535 12.21228 
1 1 1   16    9    8 o  300.067   5.4631 13767.58  500.351 14493.58  717.955 13081.99  697.687  307.595   7.6472  292.207   7.8226 15.38803 10.93952 
1 1 1   16    9    9 o   60.010   3.9073  552.456   71.177  574.256   77.263  430.189  182.976   61.167   4.1632   51.841   11.825 9.325081 12.53691 
1 1 1   16    9   10 o  181.797   6.9298  5059.56  384.524  4912.55  455.888  5422.00  715.808  179.011   8.3437  187.115   12.607 -8.103455 15.11797 
1 1 1   16    9   11 o  112.536   3.3134  1934.11  113.810  1932.54  157.519  1935.82  164.618  112.453   4.5893  112.542   4.7923 -0.8857727E-01 6.635349 
1 1 1   16    9   12 o   40.574   10.055  262.882  123.886  262.882  123.886   0.0000   0.0000   40.574   10.055  ?   ?  0.000000 10.05465 
1 1 1   16    9   13 o  204.304   7.0616  6391.17  440.346  6391.17  440.346   0.0000   0.0000  204.304   7.0616  ?   ?  0.000000 7.061570 
1 1 1   16    9   14 o  327.009   9.5762 16420.41  955.810 16420.41  955.810   0.0000   0.0000  327.009   9.5762  ?   ?  0.000000 9.576226 
1 1 1   16    9   16 f  411.209   11.552 26044.48  1449.87 26044.48  1449.87   0.0000   0.0000  411.209   11.552  ?   ?  0.000000 11.55177 
1 1 1   16    9   17 o   22.172   7.1875   72.760   55.577   96.380   97.434   61.368   67.663   26.887   9.5079   21.930   7.9051 4.957207 12.36490 
1 1 1   16    9   18 o  425.132   10.751 27812.18  1395.05 27107.83  3372.16 27957.62  1532.33  409.999   27.100  425.887   11.788 -15.88803 29.55253 
1 1 1   16    9   19 o  343.338   9.8202 18117.82  1029.11   0.0000   0.0000 18117.82  1029.11  ?   ?   343.338   9.8202 0.000000 9.820248 
1 1 1   16    9   20 o  122.911   4.1659  2308.55  156.284  2552.32  274.664  2191.84  190.049  128.895   7.0078  119.720   5.2009 9.174431 8.726922 
1 1 1   16    9   21 o  278.280   5.5995 11846.96  475.604 12234.55  652.237 11406.88  695.010  282.513   7.5640  272.658   8.3513 9.855255 11.26759 
1 1 1   16    9   22 o  108.844   3.8783  1810.15  128.842  1957.39  227.275  1740.43  156.401  112.861   6.6267  106.692   4.8027 6.168579 8.184133 
1 1 1   16    9   23 o  229.623   4.6342  8060.99  324.794  8446.36  474.152  7720.31  445.814  234.832   6.6152  224.525   6.5054 10.30655 9.277953 
1 1 1   16    9   24 o  174.932   9.1694  4716.33  487.882  4745.24  657.847  4681.00  727.309  174.761   12.414  173.186   13.876 1.575302 18.61796 
1 1 1   16    9   25 o  147.254   3.2265  3312.24  145.014  3403.66  192.882  3193.39  219.932  149.222   4.2349  144.495   4.9868 4.727264 6.542344 
1 1 1   16    9   26 o  189.251   4.4495  5475.94  257.022  5610.56  397.483  5379.20  336.941  191.328   6.8065  187.442   5.8894 3.885345 9.000724 
1 1 1   16    9   27 f   97.001   5.2249  1443.91  154.122  1506.16  170.306  1162.28  362.245   99.030   5.6578   85.306   14.427 13.72375 15.49660 
1 1 1   16    9   28 o  214.192   4.7082  7017.40  307.807  7025.92  324.644  6941.52  968.368  214.296   4.9634  210.303   15.188 3.992554 15.97872 
1 1 1   16    9   29 o  133.982   3.2948  2742.75  134.740  2932.92  179.188  2495.31  204.394  138.496   4.2389  127.681   5.2447 10.81488 6.743564 
1 1 1   16    9   30 o  123.144   5.0653  2321.04  190.386  2525.79  735.863  2306.35  197.097  124.479   20.049  122.740   5.2611 1.738785 20.72769 
1 1 1   16    9   31 o   73.343   4.2866  825.558   95.542  749.001  168.417  861.888  116.018   69.319   8.1136   74.860   5.1081 -5.540634 9.587633 
1 1 1   16    9   32 o  216.944   4.6405  7202.69  307.277  7209.77  1107.14  7202.10  319.843  212.697   17.201  216.910   4.8310 -4.212830 17.86664 
1 1 1   16    9   33 o  113.528   4.9239  1973.60  170.618  2242.72  673.284  1955.14  176.376  116.809   19.577  112.981   5.1147 3.827927 20.23440 
1 1 1   16    9   34 o  141.366   4.1999  3057.95  181.215  3169.21  252.109  2939.01  260.659  143.748   5.7460  138.376   6.1715 5.371841 8.432374 
1 1 1   16    9   35 o   74.192   5.8035  849.774  130.376  795.174  164.966  940.619  212.788   71.437   7.6868   77.455   9.1795 -6.017548 11.97287 
1 1 1   16    9   36 o   63.414   14.281  659.656  269.779  607.189  426.401  694.677  348.368   61.344   19.911   64.615   17.314 -3.270420 26.38563 
1 1 1   16    9   37 o  136.883   5.7815  2878.15  241.551  2699.88  267.970  3650.84  557.900  132.274   6.6587  152.061   12.121 -19.78770 13.82967 
1 1 1   16    9   38 o  205.301   9.1813  6547.34  575.321  6861.57  761.876  6130.42  877.596  208.553   12.020  195.439   14.822 13.11436 19.08327 
1 1 1   16    9   39 f  118.748   3.6187  2158.44  131.157  2257.70  214.838  2099.47  165.598  121.162   5.8093  117.002   4.6371 4.159882 7.433113 
1 1 1   16    9   40 o  112.989   2.9771  1952.58  102.673  2082.00  206.472  1910.07  118.342  116.317   5.8157  111.709   3.4708 4.608574 6.772636 
1 1 1   16    9   41 o  129.442   4.7158  2572.04  186.314   0.0000   0.0000  2572.04  186.314  ?   ?   129.442   4.7158 0.000000 4.715761 
1 1 1   16   10    0 f  124.294   4.6168  2369.34  174.600  2369.34  174.600  2369.34  174.600  124.294   4.6168  124.294   4.6168 0.000000 0.000000 
1 1 1   16   10    1 o  247.778   4.4947  9381.71  339.924  9446.09  480.164  9317.04  481.289  248.466   6.3315  246.757   6.3903 1.709183 8.995731 
1 1 1   16   10    2 o  136.912   5.9205  2867.21  247.411  2729.60  345.276  3012.44  354.698  133.153   8.5407  139.934   8.3425 -6.781738 11.93908 
1 1 1   16   10    3 o  137.480   7.7924  2905.08  325.640  2660.72  342.105  5261.92  1062.46  131.450   8.5737  182.522   19.367 -51.07176 21.18004 
1 1 1   16   10    4 o  171.355   7.5712  4497.83  395.983  4253.61  435.668  5658.12  949.618  166.328   8.6112  190.185   16.523 -23.85677 18.63246 
1 1 1   16   10    5 o  104.414   5.9538  1673.05  188.957  1725.49  260.447  1614.77  274.561  105.796   8.1277  102.219   8.8886 3.576271 12.04437 
1 1 1   16   10    6 o   81.752   4.4441  1024.30  110.475  1032.24  124.836  995.631  237.239   82.023   5.0105   79.909   9.9418 2.113762 11.13306 
1 1 1   16   10    7 o   94.928   4.3755  1376.97  126.777  1390.97  999.403  1376.74  127.809   93.550   30.488   94.919   4.4116 -1.369446 30.80548 
1 1 1   16   10    8 o   37.309   5.2732  217.019   58.375  317.038  123.583  188.294   66.230   44.622   9.3721   34.513   6.5263 10.10897 11.42049 
1 1 1   16   10    9 f  201.521   8.6029  6228.29  529.152  5578.98  939.536  6529.94  640.374  188.818   16.467  206.141   10.178 -17.32292 19.35868 
1 1 1   16   10   10 o  135.298   3.7983  2796.37  156.857  2764.35  223.579  2827.40  220.120  134.453   5.4481  135.985   5.3034 -1.531952 7.603107 
1 1 1   16   10   11 o  183.745   4.9345  5161.03  276.740  5323.16  300.988  4274.61  703.763  186.587   5.2851  165.685   14.049 20.90141 15.00994 
1 1 1   16   10   12 o   67.981   5.4816  711.302  112.772  674.478  121.912  929.646  296.856   66.115   6.1104   76.546   13.181 -10.43099 14.52887 
1 1 1   16   10   13 f   97.264   4.4096  1445.71  130.909  1142.55  406.111  1480.86  138.291   84.373   16.360   98.434   4.6029 -14.06050 16.99531 
1 1 1   16   10   18 o  187.921   4.3109  5396.99  247.262  5693.78  346.874  5090.40  352.559  192.901   5.8914  182.357   6.3342 10.54445 8.650491 
1 1 1   16   10   19 o   94.567   4.0838  1366.57  117.875  1766.14  238.070  1236.81  135.672  107.106   7.3264   89.801   4.9692 17.30509 8.852612 
1 1 1   16   10   20 o  126.947   4.1334  2462.79  160.159  2592.39  273.114  2394.86  197.726  129.904   6.9131  125.136   5.1768 4.767761 8.636563 
1 1 1   16   10   21 o   35.562   8.8353  201.884   95.475  194.288  100.957  266.171  293.715   34.947   9.3009   45.291   16.448 -10.34373 18.89551 
1 1 1   16   10   22 o  294.181   11.436 13354.21  1026.86 13704.37  1292.16 12754.06  1691.64  297.112   14.249  283.857   19.646 13.25488 24.26907 
1 1 1   16   10   23 o  111.308   6.9368  1906.04  234.497  1906.04  234.497   0.0000   0.0000  111.308   6.9368  ?   ?  0.000000 6.936819 
1 1 1   16   10   24 o  219.599   5.1300  7377.22  343.850  7377.22  343.850   0.0000   0.0000  219.599   5.1300  ?   ?  0.000000 5.130043 
1 1 1   16   10   25 o  188.574   4.8834  5439.23  281.073  5723.29  331.509  4712.87  530.107  193.365   5.6169  174.626   9.9872 18.73851 11.45836 
1 1 1   16   10   26 o   45.116   8.9714  323.987  119.191  331.313  136.471  300.431  244.724   45.487   10.093   45.107   15.103 0.3801270 18.16528 
1 1 1   16   10   27 o  227.151   4.6204  7891.95  320.343  8007.66  337.848  6861.32  1008.30  228.786   4.8381  208.721   15.948 20.06493 16.66567 
1 1 1   16   10   28 o  188.365   4.2734  5425.76  245.693  5425.22  271.063  5428.25  581.650  188.315   4.7160  187.256   10.215 1.058640 11.25138 
1 1 1   16   10   29 o   54.332   6.8367  459.975  110.864  541.164  140.443  325.728  180.593   58.796   8.0363   45.134   12.618 13.66166 14.96001 
1 1 1   16   10   30 f   70.943   6.3205  777.911  135.427  790.682  169.664  755.487  224.819   71.272   7.9339   69.019   11.044 2.253380 13.59876 
1 1 1   16   10   31 o  191.268   10.301  5676.96  599.148   0.0000   0.0000  5676.96  599.148  ?   ?   191.268   10.301 0.000000 10.30099 
1 1 1   16   10   32 f   34.664   10.110  189.605  113.558  214.421  137.990  137.536  199.883   37.027   11.231   35.156   13.409 1.870396 17.49111 
1 1 1   16   10   33 o  316.456   5.5769 15356.06  538.670 15689.88  593.656 13800.27  1281.59  319.734   6.0832  296.185   14.177 23.54889 15.42654 
1 1 1   16   10   34 f  107.785   4.9473  1780.21  162.759  1774.47  196.339  1792.81  291.006  107.342   6.0169  107.311   8.9668 0.3050995E-01 10.79849 
1 1 1   16   10   35 o  159.952   3.8668  3915.09  188.782  3972.85  209.506  3665.68  435.325  161.081   4.2612  153.505   9.3356 7.576202 10.26215 
1 1 1   16   10   36 o  212.646   3.7908  6920.37  246.043  7093.74  318.226  6662.69  387.961  215.101   4.8470  208.182   6.1056 6.918640 7.795623 
1 1 1   16   10   37 o  120.468   5.3344  2228.24  196.144  2197.49  219.319  2351.11  438.406  119.384   6.0385  121.749   11.952 -2.365425 13.39048 
1 1 1   16   10   38 o   98.778   4.5119  1496.03  136.033  1496.03  136.033   0.0000   0.0000   98.778   4.5119  ?   ?  0.000000 4.511945 
1 1 1   16   10   39 o  134.078   3.9791  2754.21  162.840  2878.56  248.562  2660.71  215.534  136.742   5.9555  131.573   5.3670 5.168854 8.017026 
1 1 1   16   10   40 o   46.118   6.1367  333.395   84.237   0.0000   0.0000  333.395   84.237  ?   ?    46.118   6.1367 0.000000 6.136701 
1 1 1   16   11    0 o  355.880   8.5627 19416.94  928.893 19416.94  928.893 19416.94  928.893  355.880   8.5627  355.880   8.5627 0.000000 0.000000 
1 1 1   16   11    1 o  131.218   3.8285  2630.30  153.335  2347.22  214.999  2923.33  218.746  123.883   5.6860  138.278   5.1829 -14.39500 7.693690 
1 1 1   16   11    2 o  236.226   4.4478  8527.50  320.693  8995.63  453.200  8058.02  453.858  242.479   6.1235  229.460   6.4803 13.01913 8.915796 
1 1 1   16   11    3 o  336.432   6.3884 17321.14  656.008 17321.14  656.008   0.0000   0.0000  336.432   6.3884  ?   ?  0.000000 6.388440 
1 1 1   16   11    4 f  174.257   5.5884  4643.89  297.230  4643.89  297.230   0.0000   0.0000  174.257   5.5884  ?   ?  0.000000 5.588387 
1 1 1   16   11    5 o  149.759   4.6802  3427.82  213.931  3469.60  253.676  3324.93  398.080  150.625   5.5178  146.941   8.9180 3.683670 10.48700 
1 1 1   16   11    6 o   53.233   4.6917  436.472   75.451  440.303   81.775  414.538  195.674   53.427   5.0757   50.852   12.657 2.575130 13.63680 
1 1 1   16   11    7 o  261.822   6.8431 10495.27  546.860 12086.99  1743.86 10321.67  575.909  276.634   20.806  259.595   7.2684 17.04001 22.03872 
1 1 1   16   11    8 o  260.318   8.7824 10396.96  697.804 10772.16  1036.42 10085.85  943.763  264.175   12.854  255.788   12.088 8.387070 17.64495 
1 1 1   16   11    9 o  179.020   4.8469  4898.93  264.837  5277.84  506.077  4756.03  310.791  185.451   8.9407  176.329   5.7747 9.121185 10.64344 
1 1 1   16   11   10 o  266.317   6.4950 10856.05  527.950 10730.25  603.477 11266.39  1089.90  264.643   7.4711  270.049   13.223 -5.406372 15.18760 
1 1 1   16   11   11 o  166.434   3.5250  4231.10  179.070  4339.62  230.360  4065.38  284.659  168.509   4.4789  163.024   5.7208 5.484650 7.265508 
1 1 1   16   11   12 f  132.350   5.7258  2679.51  231.299  2754.67  264.954  2438.78  474.214  134.149   6.4709  125.091   12.591 9.057877 14.15685 
1 1 1   16   11   13 f  167.843   5.5362  4308.87  283.615  4284.00  311.173  4430.90  689.329  167.318   6.0932  168.756   13.496 -1.437607 14.80757 
1 1 1   16   11   14 f   92.807   5.5738  1322.21  157.156  1322.21  157.156   0.0000   0.0000   92.807   5.5738  ?   ?  0.000000 5.573768 
1 1 1   16   11   15 o  299.106   20.352 14139.29  1847.01 14139.29  1847.01   0.0000   0.0000  299.106   20.352  ?   ?  0.000000 20.35247 
1 1 1   16   11   16 o   70.566   26.853  603.539  800.472  603.539  800.472   0.0000   0.0000   70.566   26.853  ?   ?  0.000000 26.85293 
1 1 1   16   11   17 o  307.207   9.1607 14498.23  858.963 14498.23  858.963   0.0000   0.0000  307.207   9.1607  ?   ?  0.000000 9.160651 
1 1 1   16   11   18 o  198.820   7.0465  6056.89  427.616  6056.89  427.616   0.0000   0.0000  198.820   7.0465  ?   ?  0.000000 7.046536 
1 1 1   16   11   19 o  237.899   20.024  8980.80  1440.50  8980.80  1440.50   0.0000   0.0000  237.899   20.024  ?   ?  0.000000 20.02448 
1 1 1   16   11   20 o  309.162   7.8366 14663.37  739.485 14591.47  802.752 15066.37  1900.40  308.254   8.5321  308.214   20.315 0.4010010E-01 22.03404 
1 1 1   16   11   21 o   58.031   9.2365  530.345  158.117  588.379  188.127  390.715  291.811   60.958   10.490   50.723   16.472 10.23526 19.52806 
1 1 1   16   11   22 o   56.599   4.8097  493.436   82.302  727.562  197.688  444.349   90.519   68.070   9.7972   53.591   5.6174 14.47859 11.29337 
1 1 1   16   11   23 o  117.753   4.7996  2120.71  172.502  2164.76  550.950  2115.92  181.635  116.722   15.877  117.606   5.0600 -0.8836517 16.66348 
1 1 1   16   11   24 o   77.646   4.5443  925.088  107.228  1049.37  468.907  918.230  110.146   79.914   19.416   77.343   4.6880 2.570686 19.97371 
1 1 1   16   11   25 o  109.383   3.3747  1828.09  112.668  1767.36  156.306  1893.77  162.550  107.488   4.7643  111.265   4.7864 -3.776360 6.753388 
1 1 1   16   11   26 o  278.778   5.8537 11904.46  498.089 11824.08  524.596 12640.12  1587.00  277.775   6.1875  282.064   18.537 -4.288574 19.54228 
1 1 1   16   11   27 o  198.468   6.2703  6038.17  379.838  5840.47  414.706  7067.73  946.372  195.090   6.9645  212.136   14.707 -17.04613 16.27254 
1 1 1   16   11   28 o  128.298   3.2016  2515.16  125.375  2617.71  170.678  2394.97  184.774  130.825   4.2744  125.097   4.8393 5.728195 6.456661 
1 1 1   16   11   29 o   51.909   4.4395  415.246   69.662  497.728  144.806  390.409   79.461   56.193   8.7259   50.218   5.2623 5.974991 10.18983 
1 1 1   16   11   30 o   90.006   12.138  1282.32  324.941   0.0000   0.0000  1282.32  324.941  ?   ?    90.006   12.138 0.000000 12.13773 
1 1 1   16   11   31 o   22.485   7.8053   69.852   65.476   0.0000   0.0000   69.852   65.476  ?   ?    22.485   7.8053 0.000000 7.805293 
1 1 1   16   11   32 o  196.174   4.4796  5891.69  268.227  5926.12  282.348  5573.02  858.894  196.715   4.7025  187.190   15.163 9.524673 15.87554 
1 1 1   16   11   33 o  140.650   4.0000  3027.28  171.720  2929.84  252.072  3111.66  234.569  138.136   5.9786  142.438   5.3955 -4.301865 8.053250 
1 1 1   16   11   34 o  112.500   3.3256  1935.43  114.192  1861.33  151.364  2033.32  173.970  110.231   4.4988  115.167   4.9492 -4.935204 6.688325 
1 1 1   16   11   35 o   65.989   3.7389  668.530   74.996  632.744  111.732  697.870  101.172   63.919   5.7899   67.276   4.9620 -3.357502 7.625253 
1 1 1   16   11   36 o  144.330   5.0094  3196.39  220.680  3221.89  558.230  3191.66  240.250  142.186   13.007  144.150   5.4605 -1.963928 14.10666 
1 1 1   16   11   37 o   46.453   13.265  351.869  197.400  316.898  581.987  356.415  209.839   55.118   22.301   46.819   13.768 8.298325 26.20854 
1 1 1   16   11   38 o   73.761   4.4420  837.372   99.538  721.397  612.430  840.519  100.879   66.488   23.802   73.892   4.4942 -7.404579 24.22291 
1 1 1   16   11   39 o   64.145   3.3099  631.438   64.583  232.859  599.989  636.110   64.961   53.216   22.200   64.382   3.3170 -11.16645 22.44643 
1 1 1   16   12    0 o  176.674   5.5857  4783.82  300.529  4783.82  300.529  4783.82  300.529  176.674   5.5857  176.674   5.5857 0.000000 0.000000 
1 1 1   16   12    1 o  174.977   3.2430  4675.95  173.199  4588.50  271.316  4736.10  225.012  173.236   5.1312  176.055   4.1874 -2.818832 6.622941 
1 1 1   16   12    2 o  253.412   7.8012  9842.55  603.404  9667.72  801.309 10071.53  917.034  250.721   10.471  255.648   11.752 -4.927307 15.74046 
1 1 1   16   12    3 f  166.694   6.9828  4255.28  355.280  4226.04  421.057  4327.56  661.987  165.792   8.3475  166.887   13.101 -1.094833 15.53465 
1 1 1   16   12    4 o   53.016   6.1683  435.880   97.948  435.880   97.948   0.0000   0.0000   53.016   6.1683  ?   ?  0.000000 6.168321 
1 1 1   16   12    5 f   80.808   4.1716  1000.43  102.539  1305.16  225.770  921.244  115.094   91.906   8.1322   77.475   4.8922 14.43097 9.490378 
1 1 1   16   12    6 f  202.999   7.8399  6316.71  485.759  6893.19  744.701  5889.78  640.866  211.199   11.597  195.345   10.790 15.85486 15.84037 
1 1 1   16   12    7 o   31.436   11.233  129.669  136.344   74.653  257.404  151.124  160.747   36.065   14.742   34.005   12.192 2.060566 19.13024 
1 1 1   16   12    8 o   91.107   3.2600  1267.73   90.653  1200.75  129.994  1331.15  126.483   88.495   4.8309   93.327   4.4403 -4.831917 6.561535 
1 1 1   16   12    9 o  198.416   4.3658  6016.58  264.395  6029.40  290.765  5955.42  635.370  198.598   4.7968  196.445   10.636 2.153000 11.66788 
1 1 1   16   12   10 o   98.635   4.2188  1486.71  127.011  1222.43  486.941  1506.00  131.566   86.749   18.923   99.269   4.3422 -12.52052 19.41496 
1 1 1   16   12   11 o  153.152   5.2062  3586.89  243.364  3361.97  288.695  4139.21  452.397  148.196   6.3824  163.933   9.0768 -15.73708 11.09611 
1 1 1   16   12   12 f  211.316   4.5620  6825.68  294.241  6321.45  442.013  7226.93  394.300  203.128   7.1293  217.318   5.9445 -14.18999 9.282457 
1 1 1   16   12   13 o  189.389   10.310  5535.18  593.719  5338.03  855.819  5718.11  824.356  184.744   15.315  191.567   14.200 -6.823471 20.88529 
1 1 1   16   12   14 o  371.740   8.6669 21215.13  983.377 21215.13  983.377   0.0000   0.0000  371.740   8.6669  ?   ?  0.000000 8.666907 
1 1 1   16   12   15 o  123.571   6.7000  2345.60  251.756  2345.60  251.756   0.0000   0.0000  123.571   6.7000  ?   ?  0.000000 6.699983 
1 1 1   16   12   16 o  148.131   4.2123  3353.66  190.451  3332.97  201.136  3533.06  592.222  147.661   4.4628  150.564   13.015 -2.903320 13.75872 
1 1 1   16   12   17 o  229.350   4.9079  8044.00  343.570  8001.73  475.081  8090.33  497.453  228.531   6.8109  229.755   7.0937 -1.223602 9.834035 
1 1 1   16   12   18 o   85.488   27.183  1182.24  797.851  1182.24  797.851   0.0000   0.0000   85.488   27.183  ?   ?  0.000000 27.18295 
1 1 1   16   12   19 o   97.486   7.4777  1466.05  220.804  1466.05  220.804   0.0000   0.0000   97.486   7.4777  ?   ?  0.000000 7.477734 
1 1 1   16   12   20 o  116.398   6.9629  2084.26  246.240  2084.26  246.240   0.0000   0.0000  116.398   6.9629  ?   ?  0.000000 6.962939 
1 1 1   16   12   21 o  260.354   8.1764 10410.79  649.749 10410.79  649.749   0.0000   0.0000  260.354   8.1764  ?   ?  0.000000 8.176448 
1 1 1   16   12   22 o  159.842   5.2082  3909.63  254.096  4180.14  632.522  3857.58  277.469  163.712   12.759  158.730   5.7272 4.982422 13.98556 
1 1 1   16   12   23 o  217.869   4.7896  7261.18  318.501  7416.08  445.594  7099.36  455.425  219.942   6.6377  215.149   6.9352 4.792526 9.599777 
1 1 1   16   12   24 o  147.098   5.3819  3312.50  241.635  3382.44  266.300  2986.55  574.892  148.599   5.8713  137.822   13.854 10.77652 15.04669 
1 1 1   16   12   25 o  142.234   13.379  3175.79  574.016  3175.79  574.016   0.0000   0.0000  142.234   13.379  ?   ?  0.000000 13.37948 
1 1 1   16   12   26 o  122.432   14.363  2373.03  526.552  2373.03  526.552   0.0000   0.0000  122.432   14.363  ?   ?  0.000000 14.36345 
1 1 1   16   12   27 o   63.706   4.3935  623.791   84.907  583.463  173.515  636.488   97.360   60.749   9.6829   64.287   5.0012 -3.537655 10.89822 
1 1 1   16   12   28 o   23.001   7.8596   74.691   66.288  316.387  547.256   71.092   66.780   55.400   21.888   22.700   7.8825 32.69960 23.26417 
1 1 1   16   12   29 o  139.853   5.3630  2997.11  228.927   0.0000   0.0000  2997.11  228.927  ?   ?   139.853   5.3630 0.000000 5.362991 
1 1 1   16   12   30 o   78.970   6.3751  963.715  152.352  1029.44  181.662  807.878  279.722   81.468   7.3860   70.700   13.454 10.76765 15.34816 
1 1 1   16   12   31 f   97.616   5.6239  1466.54  166.854  1477.14  190.962  1432.34  343.062   97.844   6.4302   95.036   12.101 2.807655 13.70361 
1 1 1   16   12   32 o  270.528   6.6375 11256.28  548.069 11454.85  1153.20 11198.35  622.914  268.937   14.098  269.516   7.5723 -0.5795593 16.00279 
1 1 1   16   12   33 o  137.135   3.6129  2877.21  151.225  3093.35  239.561  2734.03  194.984  141.955   5.5290  133.554   4.7833 8.401062 7.310921 
1 1 1   16   12   34 o  214.051   3.8795  7014.09  253.458  7145.20  326.760  6816.06  401.586  215.829   4.9602  210.486   6.2508 5.343002 7.979769 
1 1 1   16   12   35 o  232.446   4.6651  8285.71  330.977  8597.91  481.171  8005.33  455.989  236.189   6.6746  227.945   6.5540 8.244354 9.354403 
1 1 1   16   12   36 o  110.243   3.8340  1861.29  129.010  1843.29  206.138  1872.87  165.409  109.228   6.2087  110.463   4.9060 -1.234756 7.913103 
1 1 1   16   12   37 o   57.070   8.0089  514.502  135.668  470.133  151.219  697.541  307.143   54.143   9.4969   64.392   15.756 -10.24847 18.39707 
1 1 1   16   12   38 o  175.373   4.3266  4717.51  231.595  4514.58  356.436  4865.78  304.672  170.916   6.8325  177.801   5.6141 -6.884766 8.843162 
1 1 1   16   13    0 o   49.689   13.637  454.616  178.835  454.616  178.835  454.616  178.835   49.689   13.637   49.689   13.637 0.000000 0.000000 
1 1 1   16   13    1 o  186.664   4.8732  5326.99  277.645  5266.56  501.084  5353.76  333.525  185.222   8.8634  187.059   5.8416 -1.837814 10.61530 
1 1 1   16   13    2 o  244.840   5.9049  9172.55  441.274  9179.62  474.344  9127.05  1202.90  244.885   6.3462  241.591   16.410 3.293320 17.59452 
1 1 1   16   13    3 o  206.592   5.4848  6528.30  345.855  6537.02  374.377  6477.50  903.385  206.690   5.9343  203.884   14.614 2.805634 15.77271 
1 1 1   16   13    4 o  196.857   4.3744  5922.68  262.838  5849.20  276.341  6619.87  851.245  195.615   4.6283  206.403   13.588 -10.78777 14.35469 
1 1 1   16   13    5 f   88.536   6.2893  1205.86  168.851  1226.40  190.383  1130.14  365.513   89.200   7.0502   84.183   14.764 5.016533 16.36058 
1 1 1   16   13    6 o  181.654   5.0937  5045.93  282.421  4858.55  736.853  5078.19  305.773  176.631   13.777  182.204   5.4982 -5.572495 14.83330 
1 1 1   16   13    7 o   93.488   8.8086  1353.51  248.386   0.0000   0.0000  1353.51  248.386  ?   ?    93.488   8.8086 0.000000 8.808558 
1 1 1   16   13    8 o   50.676   10.342  409.361  154.542  333.269  378.785  424.556  169.271   50.942   18.651   51.527   11.091 -0.5845375 21.69997 
1 1 1   16   13    9 o   91.877   4.5473  1290.35  127.518  1238.15  144.748  1471.27  269.492   89.817   5.3036   97.441   9.1691 -7.623901 10.59244 
1 1 1   16   13   10 o   30.318   5.0607  144.344   45.179  153.523   91.834  141.414   51.894   31.304   9.0802   29.881   5.8993 1.423204 10.82833 
1 1 1   16   13   11 o  265.255   4.9353 10759.07  399.575 10950.02  442.923  9924.26  926.101  267.544   5.4240  253.538   11.967 14.00638 13.13915 
1 1 1   16   13   12 o  284.079   5.0831 12342.19  440.744 13936.02  647.661 10967.43  601.508  301.571   7.0362  267.478   7.3678 34.09348 10.18789 
1 1 1   16   13   13 o  289.485   7.4132 12848.23  655.013 12848.23  655.013   0.0000   0.0000  289.485   7.4132  ?   ?  0.000000 7.413212 
1 1 1   16   13   14 o  163.659   4.3427  4094.21  216.929  4094.21  216.929   0.0000   0.0000  163.659   4.3427  ?   ?  0.000000 4.342704 
1 1 1   16   13   15 o  288.376   7.2878 12750.39  641.466 12757.40  697.051 12711.64  1639.25  288.334   7.9205  283.550   19.051 4.784119 20.63231 
1 1 1   16   13   16 o  362.269   8.8577 20169.78  979.425 20098.63  1062.89 20570.15  2521.42  361.398   9.6358  357.935   23.204 3.463043 25.12554 
1 1 1   16   13   17 o  330.159   6.3604 16697.52  640.947 18463.58  919.642 15029.38  893.782  346.622   8.6925  312.555   9.3689 34.06744 12.78030 
1 1 1   16   13   18 o  136.518   5.9873  2853.91  249.483  2848.18  283.229  2873.73  527.010  136.313   6.8074  135.576   12.891 0.7372437 14.57781 
1 1 1   16   13   19 o  157.283   3.4840  3779.78  167.253  3703.25  212.934  3903.06  270.244  155.622   4.4829  159.682   5.5448 -4.060089 7.130250 
1 1 1   16   13   20 o  219.581   19.736  7702.03  1308.58  7702.03  1308.58   0.0000   0.0000  219.581   19.736  ?   ?  0.000000 19.73567 
1 1 1   16   13   21 o   41.256   13.113  260.208  185.677  260.208  185.677   0.0000   0.0000   41.256   13.113  ?   ?  0.000000 13.11284 
1 1 1   16   13   22 f  374.553   10.796 21682.70  1234.22 21682.70  1234.22   0.0000   0.0000  374.553   10.796  ?   ?  0.000000 10.79599 
1 1 1   16   13   23 o  196.977   7.1194  5955.61  428.034  5955.61  428.034   0.0000   0.0000  196.977   7.1194  ?   ?  0.000000 7.119424 
1 1 1   16   13   24 o  154.056   5.1545  3633.48  242.373  4112.96  610.809  3543.87  264.051  162.226   12.430  152.092   5.6880 10.13342 13.67000 
1 1 1   16   13   25 o  223.215   5.9827  7638.10  407.602  7751.14  446.129  7067.10  1002.67  224.770   6.5029  211.436   15.648 13.33311 16.94526 
1 1 1   16   13   26 o   41.983   14.704  248.261  232.618  328.038  551.671  231.010  256.539   55.857   22.006   42.077   15.358 13.78011 26.83486 
1 1 1   16   13   27 o  208.243   5.5411  6646.63  352.195  6878.99  421.728  6111.05  640.282  211.675   6.5275  198.268   10.619 13.40631 12.46474 
1 1 1   16   13   28 o  154.386   9.2280  3696.58  432.850   0.0000   0.0000  3696.58  432.850  ?   ?   154.386   9.2280 0.000000 9.227970 
1 1 1   16   13   29 o   74.702   6.5010  863.763  146.748  765.862  193.996  994.719  224.368   69.759   9.3462   79.639   9.4123 -9.880478 13.26436 
1 1 1   16   13   30 o  127.030   3.1631  2466.91  122.640  2552.14  168.735  2371.47  178.561  129.113   4.2817  124.419   4.7020 4.694557 6.359401 
1 1 1   16   13   31 o  111.567   3.4434  1903.80  117.259  1952.89  193.110  1875.14  147.582  112.791   5.6094  110.650   4.3698 2.141045 7.110574 
1 1 1   16   13   32 o  111.453   3.1695  1899.53  107.821  1944.97  151.169  1852.47  153.829  112.674   4.3956  109.943   4.5841 2.730431 6.351018 
1 1 1   16   13   33 o  164.812   3.5780  4156.83  179.991  4239.52  235.687  4041.12  278.803  166.286   4.6437  162.172   5.6325 4.114273 7.299950 
1 1 1   16   13   34 o  166.304   4.0357  4236.64  204.851  4606.47  318.633  3976.09  267.449  173.010   6.0340  160.861   5.4472 12.14914 8.128996 
1 1 1   16   13   35 o   97.448   5.7592  1466.04  170.538  1445.54  190.915  1546.97  379.371   96.608   6.5125   97.909   13.017 -1.301453 14.55556 
1 1 1   16   13   36 o  161.717   5.5675  4023.65  274.811  4078.21  304.628  3785.13  636.896  162.669   6.1355  153.197   13.768 9.472183 15.07298 
1 1 1   16   14    0 o   32.498   10.171  202.745   88.513  202.745   88.513  202.745   88.513   32.498   10.171   32.498   10.171 0.000000 0.000000 
1 1 1   16   14    1 o  113.378   8.3859  1983.57  288.141  2123.17  337.645  1609.42  552.755  117.141   9.5261   99.747   18.846 17.39323 21.11712 
1 1 1   16   14    2 o  403.180   7.1825 24911.80  883.878 25434.72  1194.43 24278.83  1314.11  406.715   9.6217  396.964   10.846 9.750519 14.49862 
1 1 1   16   14    3 o  113.399   4.8637  1966.29  168.341  1962.60  362.182  1967.30  190.126  112.386   10.687  113.399   5.4931 -1.012283 12.01607 
1 1 1   16   14    4 o  107.617   4.2411  1770.08  139.308  1821.54  157.802  1588.32  296.561  109.151   4.7366  101.171   9.7236 7.980156 10.81589 
1 1 1   16   14    5 o  176.747   9.5440  4817.02  512.961  4717.84  715.943  4921.64  735.318  173.997   13.589  177.717   13.661 -3.720032 19.26818 
1 1 1   16   14    6 o   50.797   10.785  412.437  162.053  439.987  194.009  348.852  294.741   52.331   12.346   48.914   16.574 3.416870 20.66666 
1 1 1   16   14    7 f  130.990   4.8510  2623.73  193.949  2579.79  222.202  2764.32  397.452  129.845   5.6067  133.697   9.8082 -3.851395 11.29758 
1 1 1   16   14    8 o  189.850   5.4356  5514.37  314.974  5456.87  373.510  5655.94  586.024  188.758   6.4831  191.433   10.065 -2.675125 11.97215 
1 1 1   16   14    9 o  205.093   5.3729  6435.26  336.336  6883.33  766.326  6328.36  374.315  210.756   11.962  203.317   6.0318 7.439301 13.39685 
1 1 1   16   14   10 o  256.650   5.9153 10083.08  463.379 10448.93  548.447  9170.44  866.234  261.124   6.8813  243.696   11.646 17.42857 13.52691 
1 1 1   16   14   11 o  180.473   5.1935  4982.52  286.082  5153.68  348.889  4631.28  499.799  183.451   6.2309  173.260   9.4871 10.19025 11.35027 
1 1 1   16   14   12 o  234.335   4.8454  8398.09  346.561  8858.33  547.057  8089.56  447.904  240.323   7.4579  229.811   6.3855 10.51180 9.818136 
1 1 1   16   14   13 o  228.109   6.0064  7967.27  418.186  8068.77  456.127  7432.21  1047.29  229.490   6.5118  217.633   15.876 11.85686 17.15927 
1 1 1   16   14   14 o  135.290   5.3694  2800.87  221.721  2800.87  221.721   0.0000   0.0000  135.290   5.3694  ?   ?  0.000000 5.369390 
1 1 1   16   14   15 o  311.785   5.9690 14886.27  568.034 14962.08  598.101 14188.58  1814.38  312.523   6.2701  298.608   20.023 13.91440 20.98184 
1 1 1   16   14   16 o  259.987   5.1811 10342.87  411.143 11880.83  603.898  9014.10  561.323  278.322   7.1088  242.346   7.5886 35.97661 10.39818 
1 1 1   16   14   17 o  256.746   6.7100 10105.96  525.823 10430.28  584.466  8728.72  1204.41  260.715   7.3447  235.215   16.889 25.49994 18.41648 
1 1 1   16   14   18 o  448.203   10.497 31011.89  1436.00 31134.30  1557.70 30319.06  3705.79  448.639   11.375  427.060   28.595 21.57916 30.77467 
1 1 1   16   14   19 o  180.489   4.1893  4980.96  230.784  5173.68  324.900  4784.71  327.876  183.788   5.7918  176.712   6.0789 7.076385 8.396343 
1 1 1   16   14   20 o  111.585   4.0525  1903.69  138.021  1942.04  147.478  1633.13  391.742  112.690   4.2877  101.732   12.906 10.95797 13.59994 
1 1 1   16   14   21 o  253.757   5.0242  9856.11  389.137  9982.23  409.959  8708.34  1236.73  255.339   5.2602  234.168   17.428 21.17104 18.20475 
1 1 1   16   14   22 f  216.537   7.3703  7203.20  487.116  7203.20  487.116   0.0000   0.0000  216.537   7.3703  ?   ?  0.000000 7.370252 
1 1 1   16   14   23 o  370.796   25.975 22876.46  2921.22 22876.46  2921.22   0.0000   0.0000  370.796   25.975  ?   ?  0.000000 25.97549 
1 1 1   16   14   24 o  199.198   15.167  6275.69  915.239   0.0000   0.0000  6275.69  915.239  ?   ?   199.198   15.167 0.000000 15.16732 
1 1 1   16   14   25 o  101.604   12.269  1630.88  372.794   0.0000   0.0000  1630.88  372.794  ?   ?   101.604   12.269 0.000000 12.26935 
1 1 1   16   14   26 f  125.176   3.9254  2396.86  149.975  2334.71  237.746  2437.93  193.285  123.152   6.3465  126.152   5.0198 -2.999603 8.091751 
1 1 1   16   14   27 o  210.121   4.3578  6758.52  279.481  7246.73  409.375  6332.33  382.485  217.245   6.1738  203.077   6.1707 14.16751 8.728918 
1 1 1   16   14   28 o  106.186   3.5774  1724.57  115.946  1852.86  219.293  1674.79  136.600  109.584   6.5869  104.593   4.2789 4.991325 7.854694 
1 1 1   16   14   29 o   71.454   6.4651  791.477  139.473  708.441  190.679  887.023  204.540   66.917   9.6116   75.142   9.1041 -8.224159 13.23885 
1 1 1   16   14   30 o   45.727   7.4378  330.626  100.240  310.899  129.759  359.821  157.856   43.866   9.9236   47.065   11.158 -3.198357 14.93280 
1 1 1   16   14   31 o   88.387   4.0693  1196.44  109.780  1219.12  126.801  1128.56  219.361   89.049   4.6817   84.921   8.5808 4.128586 9.774922 
1 1 1   16   14   32 o  158.990   3.8898  3870.94  188.760  3991.45  292.964  3785.41  246.821  161.075   5.9589  157.022   5.1500 4.053650 7.875980 
1 1 1   16   14   33 o  109.623   4.5967  1843.34  153.803  2005.71  646.239  1833.59  158.353  108.040   20.344  109.314   4.7460 -1.274414 20.88980 
1 1 1   16   14   34 o  151.752   10.603  3631.98  488.025  3445.38  795.763  3744.47  617.858  143.109   18.662  152.652   13.396 -9.543198 22.97247 
1 1 1   16   14   35 o   35.440   10.311  201.428  118.261  177.349  132.914  292.928  259.099   34.034   11.120   44.287   15.518 -10.25276 19.09084 
1 1 1   16   15    0 o   37.303   21.142  287.675  371.868  287.675  371.868  287.675  371.868   37.303   21.142   37.303   21.142 0.000000 0.000000 
1 1 1   16   15    1 o   48.164   6.4837  361.691   92.894  525.091  226.120  328.516  101.888   57.098   13.233   45.682   7.5726 11.41581 15.24679 
1 1 1   16   15    2 o  122.399   4.6496  2290.76  173.703  2300.51  183.965  2210.66  527.457  122.645   4.9144  118.304   14.940 4.340759 15.72785 
1 1 1   16   15    3 o  125.668   5.0840  2415.69  195.006  2489.65  239.941  2271.78  334.689  127.508   6.1652  121.224   9.1123 6.284447 11.00198 
1 1 1   16   15    4 o   99.432   6.4254  1520.69  193.962  1870.11  247.918  969.326  311.427  110.180   7.4152   77.978   13.578 32.20206 15.47100 
1 1 1   16   15    5 o  279.909   13.015 12140.61  1111.94   0.0000   0.0000 12140.61  1111.94  ?   ?   279.909   13.015 0.000000 13.01507 
1 1 1   16   15    6 o  194.314   8.2850  5798.47  491.374  5502.09  602.913  6384.77  847.987  188.640   10.513  202.336   13.813 -13.69568 17.35908 
1 1 1   16   15    7 o  114.117   9.8219  2019.53  338.774  2019.53  338.774   0.0000   0.0000  114.117   9.8219  ?   ?  0.000000 9.821878 
1 1 1   16   15    8 o   96.318   3.9255  1417.84  115.403  1550.71  235.255  1375.73  132.432  100.227   7.7504   94.852   4.5743 5.374268 8.999656 
1 1 1   16   15    9 o  107.690   6.1288  1781.87  200.619  1878.20  276.858  1675.37  291.115  110.273   8.2862  103.950   9.2727 6.323196 12.43559 
1 1 1   16   15   10 o   93.888   4.6641  1348.09  133.657  1332.69  141.641  1473.26  403.795   93.203   4.9972   96.366   14.150 -3.162521 15.00634 
1 1 1   16   15   11 o  264.224   4.8281 10678.80  389.371 10926.12  431.328  9589.87  905.062  267.205   5.2887  248.952   11.911 18.25381 13.03230 
1 1 1   16   15   12 o   44.818   6.7172  314.665   89.057  304.406   97.505  366.285  218.726   43.927   7.5443   48.053   14.035 -4.126549 15.93422 
1 1 1   16   15   13 o  190.962   5.3708  5581.58  313.040  5696.19  342.253  4994.92  774.361  192.864   5.8141  178.512   14.333 14.35136 15.46727 
1 1 1   16   15   14 o  190.274   3.7245  5533.17  216.303  5642.56  274.823  5355.10  350.644  192.064   4.6880  186.954   6.1449 5.110062 7.728997 
1 1 1   16   15   15 o  236.579   4.1441  8557.37  299.240  8910.00  332.527  7055.86  686.169  241.363   4.5138  213.756   10.517 27.60693 11.44479 
1 1 1   16   15   16 o  186.829   4.4810  5338.71  255.528  5862.54  397.266  4969.05  333.726  195.519   6.6569  180.078   6.0717 15.44118 9.010023 
1 1 1   16   15   17 o   61.967   13.478  620.374  247.653  883.959  897.874  598.670  257.648   78.125   28.699   60.765   14.155 17.35989 31.99971 
1 1 1   16   15   18 o  189.415   6.1451  5499.76  355.272  5499.76  355.272   0.0000   0.0000  189.415   6.1451  ?   ?  0.000000 6.145121 
1 1 1   16   15   19 o  145.868   3.9420  3253.37  175.510  3300.39  186.116  2875.75  527.439  146.904   4.1508  135.319   12.927 11.58470 13.57748 
1 1 1   16   15   20 f  239.736   4.1648  8790.45  304.752  9207.20  378.604  8023.53  513.602  245.225   5.0583  228.505   7.3640 16.71948 8.933894 
1 1 1   16   15   21 o  496.842   7.6210 37963.17  1155.71 39622.91  1418.45 34685.46  1993.34  506.718   9.1713  470.758   13.873 35.96002 16.63037 
1 1 1   16   15   22 o  225.053   5.9728  7768.00  410.278  7808.22  488.810  7672.11  754.736  225.404   7.1050  222.026   11.173 3.377441 13.24060 
1 1 1   16   15   23 o  194.918   6.6233  5835.42  394.042  5835.42  394.042   0.0000   0.0000  194.918   6.6233  ?   ?  0.000000 6.623291 
1 1 1   16   15   24 o  243.936   17.328  9543.28  1281.78   0.0000   0.0000  9543.28  1281.78  ?   ?   243.936   17.328 0.000000 17.32822 
1 1 1   16   15   25 o   96.253   6.3713  1429.41  186.121  1476.05  222.055  1319.25  341.256   97.614   7.5106   90.996   12.627 6.618454 14.69209 
1 1 1   16   15   26 o  130.957   10.722  2686.52  424.812  2820.82  918.298  2649.96  479.168  127.865   24.420  129.546   12.264 -1.680801 27.32689 
1 1 1   16   15   27 o  170.040   5.7378  4439.71  297.790  4597.40  338.333  3897.45  627.380  172.902   6.4110  156.757   13.236 16.14485 14.70714 
1 1 1   16   15   28 o  117.424   3.8861  2110.60  139.279  2174.92  239.819  2077.86  171.089  118.676   6.6474  116.416   4.8150 2.259964 8.208066 
1 1 1   16   15   29 o  214.090   5.4745  7039.49  357.735  7644.22  813.829  6894.65  398.276  220.065   12.163  211.697   6.1639 8.368286 13.63600 
1 1 1   16   15   30 o   35.829   7.6710  205.922   81.359  255.563   99.232  104.120  142.106   39.876   8.4175   29.949   11.334 9.926714 14.11777 
1 1 1   16   15   31 o  176.728   3.7507  4782.63  202.315  4991.55  225.712  3928.70  456.321  180.488   4.0972  158.477   9.4773 22.01141 10.32503 
1 1 1   16   15   32 o  107.550   4.9579  1776.35  162.752  1763.84  197.776  1802.59  286.448  106.833   6.0905  107.278   8.8265 -0.4453278 10.72385 
1 1 1   16   15   33 o  156.254   3.9183  3741.52  186.871  4102.94  290.811  3487.32  243.890  163.217   5.8375  150.594   5.3060 12.62271 7.888643 
1 1 1   16   16    0 o  240.832   17.360  9131.10  1260.85  9131.10  1260.85  9131.10  1260.85  240.832   17.360  240.832   17.360 0.000000 0.000000 
1 1 1   16   16    1 o  240.404   4.8966  8841.04  359.296  8943.06  486.296  8718.38  533.177  241.555   6.5958  238.381   7.3280 3.173508 9.859185 
1 1 1   16   16    2 o  111.708   4.2977  1907.89  146.535  1870.85  165.680  2040.91  314.013  110.588   4.9085  114.832   9.0321 -4.243980 10.27969 
1 1 1   16   16    3 f  153.686   9.2745  3648.37  433.013   0.0000   0.0000  3648.37  433.013  ?   ?   153.686   9.2745 0.000000 9.274491 
1 1 1   16   16    4 o   97.532   4.8000  1455.08  142.892  1736.77  329.723  1389.94  158.555  105.621   10.361   95.134   5.4837 10.48660 11.72287 
1 1 1   16   16    5 o  182.525   8.3585  5120.24  465.661  5458.55  554.316  4308.97  858.381  187.989   9.6937  164.725   17.333 23.26463 19.85938 
1 1 1   16   16    6 o  252.914   6.3313  9801.79  488.744  9779.74  524.783  9945.95  1342.01  252.549   6.8080  250.772   17.646 1.776703 18.91338 
1 1 1   16   16    7 o  128.899   5.3927  2543.23  212.163  2413.26  231.944  3209.18  525.035  125.513   6.0545  143.444   12.105 -17.93065 13.53473 
1 1 1   16   16    8 o  261.851   4.6031 10487.15  367.890 10487.44  457.439 10486.63  619.022  261.696   5.7269  261.313   7.7612 0.3836365 9.645385 
1 1 1   16   16    9 o  262.572   5.0952 10550.70  408.349 10725.84  430.719  8994.79  1283.80  264.708   5.3310  238.209   17.785 26.49944 18.56720 
1 1 1   16   16   10 o  389.652   7.0653 23295.75  840.284 23523.11  884.465 21189.03  2692.32  391.446   7.4027  360.320   24.628 31.12604 25.71659 
1 1 1   16   16   11 o  161.831   5.1060  4008.24  252.210  4112.97  276.439  3488.14  616.046  163.891   5.5262  149.063   13.693 14.82806 14.76640 
1 1 1   16   16   12 o   90.529   5.3477  1259.09  147.108  1273.50  161.065  1186.60  361.283   90.991   5.8301   86.140   14.239 4.851471 15.38612 
1 1 1   16   16   13 o  195.158   5.2314  5830.75  311.616  5858.68  367.094  5758.75  589.519  195.507   6.1517  192.883   10.048 2.623947 11.78185 
1 1 1   16   16   14 o  119.651   4.1250  2189.24  150.646  2190.47  161.459  2180.94  418.682  119.667   4.4205  118.022   11.780 1.644386 12.58206 
1 1 1   16   16   15 o  238.642   4.9669  8717.26  361.784 10009.48  544.779  7697.73  483.896  255.344   6.9900  223.907   7.0805 31.43692 9.949584 
1 1 1   16   16   16 o  211.936   8.6027  6918.48  556.491  8866.86  1317.69  6495.54  613.926  235.416   18.487  205.074   9.8082 30.34212 20.92780 
1 1 1   16   16   17 o  221.768   4.6908  7527.01  317.514  7849.91  440.193  7176.81  458.427  226.202   6.3757  216.180   6.9476 10.02168 9.429730 
1 1 1   16   16   18 o  145.612   4.1246  3243.23  183.316  3240.62  194.244  3264.52  554.356  145.533   4.3729  144.167   12.729 1.366043 13.45904 
1 1 1   16   16   19 f  187.482   4.4095  5378.85  252.327  5478.64  364.507  5287.03  349.646  188.942   6.3206  185.633   6.1710 3.309158 8.833565 
1 1 1   16   16   20 o  114.509   4.8779  2008.08  170.485  2053.69  188.499  1803.12  399.625  115.763   5.3349  106.806   12.495 8.957138 13.58603 
1 1 1   16   16   21 o  150.384   5.2992  3466.26  243.236  3468.38  268.188  3456.44  577.454  150.360   5.8437  148.092   12.904 2.268097 14.16573 
1 1 1   16   16   22 o  114.883   5.3960  2023.69  189.210  2023.69  189.210   0.0000   0.0000  114.883   5.3960  ?   ?  0.000000 5.395962 
1 1 1   16   16   23 o  150.439   5.5499  3472.11  254.839  3474.95  281.238  3459.07  602.463  150.415   6.1259  147.702   13.513 2.712433 14.83710 
1 1 1   16   16   24 o  181.755   5.0783  5065.09  281.722  5212.14  336.188  4718.30  516.271  184.209   5.9794  174.076   9.7560 10.13242 11.44261 
1 1 1   16   16   25 o   98.341   4.1565  1480.81  124.760  1161.35  447.852  1507.69  129.902   83.210   18.145   99.219   4.2895 -16.00892 18.64508 
1 1 1   16   16   26 o  183.234   6.0115  5161.75  336.206  5229.54  377.247  4900.05  741.207  184.268   6.7075  175.232   13.974 9.035843 15.50084 
1 1 1   16   16   27 o  110.426   6.0341  1881.10  202.607  1910.42  238.752  1805.68  382.982  111.064   7.0799  106.518   11.988 4.546059 13.92274 
1 1 1   16   16   28 o   62.693   7.6537  616.531  143.415  847.831  193.680  335.763  213.388   73.382   8.8241   45.698   13.988 27.68473 16.53913 
1 1 1   16   16   29 o   82.381   11.901  1090.91  290.580  1184.85  781.576  1075.84  313.017   80.967   26.989   81.404   13.038 -0.4367371 29.97374 
1 1 1   16   16   30 f   63.881   12.675  668.802  238.417   0.0000   0.0000  668.802  238.417  ?   ?    63.881   12.675 0.000000 12.67515 
1 1 1   16   16   31 o   74.863   5.8535  868.365  132.687  804.338  150.865  1087.06  278.824   71.802   6.9718   82.260   11.413 -10.45858 13.37358 
1 1 1   16   17    0 o  252.701   17.995 10081.68  1371.80 10081.68  1371.80 10081.68  1371.80  252.701   17.995  252.701   17.995 0.000000 0.000000 
1 1 1   16   17    1 f  118.498   8.4043  2170.49  301.996  1402.09  558.834  2487.45  358.918   92.062   20.422  126.714   9.3461 -34.65260 22.45923 
1 1 1   16   17    2 o   70.437   5.2730  763.749  112.542   0.0000   0.0000  763.749  112.542  ?   ?    70.437   5.2730 0.000000 5.273030 
1 1 1   16   17    3 o   51.799   12.556  433.119  196.441  473.938  235.406  339.507  356.493   54.128   14.106   50.163   18.135 3.965485 22.97537 
1 1 1   16   17    4 o  109.866   7.7863  1863.92  259.410  2873.22  413.446  1208.61  333.146  136.079   10.025   87.286   12.893 48.79292 16.33162 
1 1 1   16   17    5 o  260.452   7.3461 10416.57  583.988   0.0000   0.0000 10416.57  583.988  ?   ?   260.452   7.3461 0.000000 7.346134 
1 1 1   16   17    6 o  191.544   5.5773  5619.37  326.068  5398.08  382.127  6211.98  625.341  187.589   6.6740  200.280   10.264 -12.69131 12.24315 
1 1 1   16   17    7 o   43.254   4.8802  289.940   63.303  229.208  113.135  317.620   76.379   37.835   9.7392   45.186   5.6623 -7.350742 11.26556 
1 1 1   16   17    8 o   45.832   7.9727  332.154  107.479  346.144  116.332  250.595  280.885   46.721   8.4696   43.940   16.065 2.780914 18.16110 
1 1 1   16   17    9 o  262.962   4.5758 10579.69  367.259 10878.45  456.729 10033.07  617.777  266.478   5.6154  255.433   7.9239 11.04500 9.711862 
1 1 1   16   17   10 o   69.563   5.1814  744.999  109.225  782.439  118.370  530.403  283.393   71.262   5.4842   57.179   15.741 14.08364 16.66854 
1 1 1   16   17   11 o  187.005   5.1916  5355.08  296.327  5545.66  325.506  4432.81  716.073  190.250   5.6055  167.789   14.113 22.46114 15.18578 
1 1 1   16   17   12 o   71.545   5.3099  788.273  115.126  822.950  141.300  719.794  198.564   72.964   6.4098   67.558   9.9255 5.405563 11.81526 
1 1 1   16   17   13 o   58.194   3.8507  520.102   68.011  587.782  118.369  486.747   83.097   61.568   6.3921   56.175   4.8954 5.393131 8.051332 
1 1 1   16   17   14 o  240.802   11.259  9002.25  827.534   0.0000   0.0000  9002.25  827.534  ?   ?   240.802   11.259 0.000000 11.25922 
1 1 1   16   17   15 o  100.412   8.0682  1562.52  245.184   0.0000   0.0000  1562.52  245.184  ?   ?   100.412   8.0682 0.000000 8.068155 
1 1 1   16   17   16 o  234.897   4.4929  8445.33  322.125  8765.15  484.790  8192.49  431.041  238.887   6.6488  231.066   6.1118 7.820709 9.031074 
1 1 1   16   17   17 o  205.809   5.5466  6494.33  348.423  6748.73  384.480  5325.71  824.062  209.718   6.0065  183.229   14.863 26.48898 16.03086 
1 1 1   16   17   18 o  121.473   3.5614  2256.40  132.045  2527.86  200.714  2049.26  175.328  128.436   5.1200  115.655   4.9667 12.78178 7.133256 
1 1 1   16   17   19 o   14.929   7.0603 -99.1507   85.023 -125.4201   97.762 -17.6014  172.249   15.647   7.4491   26.637   11.526 -10.99035 13.72363 
1 1 1   16   17   20 o   68.849   3.8898  727.605   81.407  1070.55  175.316  633.334   91.918   83.120   6.9748   64.124   4.7298 18.99667 8.427243 
1 1 1   16   17   21 o  142.717   12.564  3220.02  541.693  3220.02  541.693   0.0000   0.0000  142.717   12.564  ?   ?  0.000000 12.56350 
1 1 1   16   17   22 o   46.377   11.177  349.175  156.361  349.175  156.361   0.0000   0.0000   46.377   11.177  ?   ?  0.000000 11.17740 
1 1 1   16   17   23 o  182.680   3.5973  5106.31  200.578  5257.67  252.761  4848.91  329.620  185.236   4.4706  177.586   6.0812 7.650085 7.547649 
1 1 1   16   17   24 o  140.978   3.9775  3043.37  171.150  3091.73  182.058  2675.70  501.998  142.066   4.1986  129.573   12.863 12.49335 13.53105 
1 1 1   16   17   25 o  112.881   11.490  2021.06  390.350  2020.74  867.741  2021.15  437.070  104.886   26.958  112.305   12.990 -7.419197 29.92483 
1 1 1   16   17   26 o  109.378   4.0585  1832.93  135.491  1731.33  237.606  1881.88  164.935  105.573   7.4209  110.733   4.8800 -5.160248 8.881679 
1 1 1   16   17   27 o   92.087   4.2561  1300.02  119.627  1330.82  127.367  1069.43  348.479   93.149   4.4798   80.477   14.730 12.67167 15.39581 
1 1 1   16   17   28 o  184.612   11.508  5400.96  645.216  5873.85  1105.63  5156.75  794.541  186.128   19.764  178.294   14.732 7.833847 24.65083 
1 1 1   16   18    0 o   42.691   8.7992  312.245  101.251  312.245  101.251  312.245  101.251   42.691   8.7992   42.691   8.7992 0.000000 0.000000 
1 1 1   16   18    1 o  146.422   4.5858  3280.82  204.944  3414.03  547.848  3259.15  220.989  147.656   12.267  145.904   4.9624 1.752533 13.23277 
1 1 1   16   18    2 o  208.051   6.0954  6637.76  387.073   0.0000   0.0000  6637.76  387.073  ?   ?   208.051   6.0954 0.000000 6.095446 
1 1 1   16   18    3 o  109.939   8.2278  1871.00  274.090  1504.05  543.002  1996.46  317.508   95.450   19.302  113.379   9.2557 -17.92861 21.40622 
1 1 1   16   18    4 o  197.383   8.8131  6006.60  530.955  5478.92  954.524  6243.02  638.924  185.259   17.073  200.551   10.474 -15.29210 20.02962 
1 1 1   16   18    5 o  187.191   8.6712  5401.08  495.428  4654.70  904.592  5720.88  592.130  170.352   17.654  192.050   10.137 -21.69768 20.35745 
1 1 1   16   18    6 o  235.905   6.6466  8543.50  478.582   0.0000   0.0000  8543.50  478.582  ?   ?   235.905   6.6466 0.000000 6.646633 
1 1 1   16   18    7 o  232.725   8.7626  8352.14  622.436  8091.51  964.051  8538.45  815.094  226.856   13.991  234.470   11.389 -7.614578 18.04095 
1 1 1   16   18    8 o  158.812   6.1012  3868.93  295.743  3675.17  375.481  4185.56  479.995  154.299   8.0002  164.289   9.6141 -9.990143 12.50738 
1 1 1   16   18    9 o  179.595   7.4381  4960.85  407.730  4960.85  407.730   0.0000   0.0000  179.595   7.4381  ?   ?  0.000000 7.438088 
1 1 1   16   18   10 o  187.048   7.4781  5382.47  426.934  5382.47  426.934   0.0000   0.0000  187.048   7.4781  ?   ?  0.000000 7.478102 
1 1 1   16   18   11 o  271.561   6.5316 11325.26  541.386 11358.57  633.819 11235.37  1041.12  271.646   7.6444  268.147   12.721 3.498627 14.84096 
1 1 1   16   18   12 o  177.970   5.2681  4854.03  286.166  4822.33  341.808  4928.35  523.273  177.225   6.3189  178.198   9.6568 -0.9731750 11.54045 
1 1 1   16   18   13 o   97.290   8.5945  1472.12  252.591   0.0000   0.0000  1472.12  252.591  ?   ?    97.290   8.5945 0.000000 8.594543 
1 1 1   16   18   14 o   94.885   4.2246  1377.93  122.348   0.0000   0.0000  1377.93  122.348  ?   ?    94.885   4.2246 0.000000 4.224555 
1 1 1   16   18   15 o  254.418   6.3387  9944.50  492.223 10297.29  543.983  8350.83  1156.18  258.736   6.8883  228.136   16.721 30.59943 18.08387 
1 1 1   16   18   16 o  118.533   4.7766  2152.66  172.813  2352.95  200.813  1580.92  339.287  123.867   5.3115  100.085   11.305 23.78181 12.49042 
1 1 1   16   18   17 o   19.772   6.0977   59.903   40.461   17.898  390.284   60.359   40.680   40.876   17.514   19.842   6.1134 21.03408 18.55059 
1 1 1   16   18   18 o  164.582   5.3596  4156.20  269.237  4293.65  301.976  3623.41  594.529  167.182   5.9179  151.187   13.010 15.99506 14.29310 
1 1 1   16   18   19 o   88.162   3.7251  1189.42  100.238  1447.23  194.457  1096.13  116.977   96.742   6.6254   84.455   4.5548 12.28693 8.040033 
1 1 1   16   18   20 o  150.485   4.3743  3469.65  200.917  3469.65  200.917   0.0000   0.0000  150.485   4.3743  ?   ?  0.000000 4.374289 
1 1 1   16   18   21 o   86.020   5.7525  1142.29  150.162  1142.29  150.162   0.0000   0.0000   86.020   5.7525  ?   ?  0.000000 5.752512 
1 1 1   16   18   22 o   59.459   5.1848  546.883   93.155  555.841  101.705  500.222  232.110   59.877   5.6312   55.026   13.835 4.850994 14.93682 
1 1 1   16   18   23 o  123.816   3.8441  2347.83  145.273  2394.18  154.871  2008.33  419.179  125.007   4.0590  112.051   12.468 12.95585 13.11194 
1 1 1   16   18   24 o  108.210   3.7600  1793.27  124.184  2021.72  223.206  1690.85  149.450  114.337   6.4219  104.975   4.6644 9.362083 7.937099 
1 1 1   16   18   25 o  133.251   8.1032  2765.76  328.004  3444.74  881.182  2656.55  353.400  141.268   21.082  130.297   8.9402 10.97043 22.89907 
1 1 1   16   18   26 o   69.405   3.9752  740.698   83.859  876.885  188.574  707.126   93.627   74.636   8.4253   67.728   4.5556 6.908180 9.578083 
1 1 1   16   18   27 o  140.243   3.5899  3012.62  153.667  3136.73  241.006  2927.61  199.474  142.744   5.5316  138.064   4.7336 4.680206 7.280517 
1 1 1   16   19    0 o  169.891   14.051  4563.42  717.154  4563.42  717.154  4563.42  717.154  169.891   14.051  169.891   14.051 0.000000 0.000000 
1 1 1   16   19    1 o  402.831   14.427 25556.71  1773.89 25182.38  3062.83 25745.65  2176.00  385.812   26.164  401.112   17.774 -15.30038 31.63005 
1 1 1   16   19    2 o  174.027   8.5891  4674.48  456.226  3365.08  786.909  5337.47  559.937  143.836   18.342  185.355   9.9334 -41.51967 20.85883 
1 1 1   16   19    3 o  143.617   9.6935  3207.40  422.429   0.0000   0.0000  3207.40  422.429  ?   ?   143.617   9.6935 0.000000 9.693522 
1 1 1   16   19    4 o   69.053   10.664  756.949  217.517  310.037  453.466  890.509  247.897   51.911   20.094   74.886   11.189 -22.97459 22.99927 
1 1 1   16   19    5 o  257.022   10.064 10242.84  789.534 10256.75  1400.48 10236.35  955.924  252.083   18.327  255.979   12.235 -3.895523 22.03590 
1 1 1   16   19    6 o   32.862   8.2986  173.051   83.255  314.036  453.958  168.144   84.691   52.011   20.113   32.416   8.4672 19.59511 21.82253 
1 1 1   16   19    7 o  282.944   7.0597 12316.52  609.685 13774.90  1647.54 12085.12  656.275  291.863   18.591  280.068   7.6772 11.79523 20.11391 
1 1 1   16   19    8 o   42.739   15.270  252.861  251.944  453.512  467.727  170.845  299.034   56.788   20.736   41.294   16.223 15.49402 26.32761 
1 1 1   16   19    9 o  201.335   10.910  6327.84  667.955  6836.54  991.140  5904.56  904.109  206.798   15.823  192.266   15.539 14.53123 22.17712 
1 1 1   16   19   10 o  142.734   3.8260  3117.01  166.680  3484.02  246.977  2810.03  225.876  150.719   5.3687  135.345   5.4678 15.37360 7.662887 
1 1 1   16   19   11 o  195.797   6.3514  5892.47  379.569  5734.52  417.215  6651.11  914.365  192.988   7.0829  204.382   14.757 -11.39404 16.36849 
1 1 1   16   19   12 o  166.093   9.5818  4294.03  483.689   0.0000   0.0000  4294.03  483.689  ?   ?   166.093   9.5818 0.000000 9.581781 
1 1 1   16   19   13 o  148.338   8.2364  3411.02  371.444  3992.20  1023.49  3322.86  398.621  153.420   22.528  146.190   8.9770 7.230530 24.25039 
1 1 1   16   19   14 o   77.017   4.6302  912.259  108.339  916.715  125.113  898.902  216.608   77.107   5.3491   75.495   9.6187 1.611900 11.00606 
1 1 1   16   19   15 o  310.951   6.8082 14893.88  646.164 15365.34  758.073 13641.25  1235.67  315.341   7.8761  293.399   13.798 21.94180 15.88794 
1 1 1   16   19   16 o   83.331   3.8636  1063.05   98.270  1241.81  214.656  1015.66  110.533   89.276   7.9611   81.288   4.4722 7.988228 9.131248 
1 1 1   16   19   17 o  118.049   9.4183  2180.59  336.530  2277.80  489.832  2093.68  463.141  119.070   13.730  114.172   13.555 4.898346 19.29367 
1 1 1   16   19   18 o   31.267   10.328  146.450  114.550  146.450  114.550   0.0000   0.0000   31.267   10.328  ?   ?  0.000000 10.32822 
1 1 1   16   19   19 o   26.173   10.073   72.768  113.452   72.768  113.452   0.0000   0.0000   26.173   10.073  ?   ?  0.000000 10.07342 
1 1 1   16   19   20 o   52.908   11.890  458.322  187.334  458.322  187.334   0.0000   0.0000   52.908   11.890  ?   ?  0.000000 11.89013 
1 1 1   16   19   21 o  118.472   10.387  2216.13  371.790  2711.81  846.768  2097.75  413.811  123.714   23.279  114.601   12.009 9.112862 26.19395 
1 1 1   16   19   22 o  150.214   3.9433  3457.77  180.796  3808.09  276.337  3195.58  239.063  157.276   5.7565  144.141   5.4338 13.13417 7.916069 
1 1 1   16   19   23 o  189.052   5.9168  5507.11  341.417  5641.98  381.736  4967.94  763.268  191.150   6.5429  174.985   14.419 16.16486 15.83435 
1 1 1   16   19   24 o  129.404   5.1104  2574.67  201.846   0.0000   0.0000  2574.67  201.846  ?   ?   129.404   5.1104 0.000000 5.110432 
1 1 1   16   20    0 o   32.380   9.5203  197.435   81.758  197.435   81.758  197.435   81.758   32.380   9.5203   32.380   9.5203 0.000000 0.000000 
1 1 1   16   20    1 o  181.473   14.436  5250.32  792.986   0.0000   0.0000  5250.32  792.986  ?   ?   181.473   14.436 0.000000 14.43582 
1 1 1   16   20    2 f  227.959   7.1341  8006.23  496.382  8006.23  496.382   0.0000   0.0000  227.959   7.1341  ?   ?  0.000000 7.134148 
1 1 1   16   20    3 o  242.141   5.2350  8994.29  386.900  8809.05  575.432  9147.12  522.682  238.853   7.8931  243.687   7.0273 -4.834015 10.56804 
1 1 1   16   20    4 o  255.966   5.7411 10061.68  448.532  9450.99  667.463 10564.53  605.671  247.017   8.8529  261.677   7.5832 -14.65994 11.65669 
1 1 1   16   20    5 o  430.227   10.336 28829.04  1357.30 30582.55  3548.52 28528.53  1469.01  416.612   28.070  427.168   11.267 -10.55612 30.24648 
1 1 1   16   20    6 o  249.565   7.0673  9597.75  538.340 11124.77  1347.94  9307.97  587.203  262.297   16.927  245.496   7.8366 16.80096 18.65321 
1 1 1   16   20    7 o  124.284   4.8573  2368.34  184.258  2964.44  568.790  2298.45  194.760  136.170   13.879  122.393   5.2135 13.77766 14.82615 
1 1 1   16   20    8 o  163.279   5.3606  4092.25  267.152  4644.61  742.047  4009.99  286.353  170.388   14.403  161.549   5.8074 8.838959 15.53007 
1 1 1   16   20    9 o  300.345   7.5801 13929.64  694.886 13960.12  755.440 13762.08  1771.36  300.354   8.2404  287.793   20.296 12.56094 21.90464 
1 1 1   16   20   10 o  109.674   6.8418  1860.74  227.885  2025.31  284.250  1564.67  381.259  114.108   8.2164   98.771   12.959 15.33662 15.34449 
1 1 1   16   20   11 o  141.795   6.6236  3097.46  286.665  3049.44  335.090  3228.51  553.594  140.212   7.8617  142.402   12.876 -2.190094 15.08632 
1 1 1   16   20   12 o   54.033   6.0562  454.665   98.162  459.430  104.363  418.104  289.097   54.251   6.4276   51.094   16.375 3.156891 17.59145 
1 1 1   16   20   13 o  135.639   13.666  2952.64  558.056  2952.64  558.056   0.0000   0.0000  135.639   13.666  ?   ?  0.000000 13.66571 
1 1 1   16   20   14 o   65.579   21.033  725.903  476.867  725.903  476.867   0.0000   0.0000   65.579   21.033  ?   ?  0.000000 21.03253 
1 1 1   16   20   15 o   71.394   5.8641  789.492  126.656  789.492  126.656   0.0000   0.0000   71.394   5.8641  ?   ?  0.000000 5.864105 
1 1 1   16   20   16 o   45.758   8.0197  333.717  107.922  340.228  116.284  293.266  289.843   46.089   8.5820   45.315   16.357 0.7738571 18.47174 
1 1 1   16   20   17 o   37.202   10.293  223.650  120.825  260.734  133.969   61.995  279.707   40.050   10.739   36.122   15.121 3.927326 18.54642 
1 1 1   16   20   18 o  119.586   6.0352  2209.09  219.577  2209.09  219.577   0.0000   0.0000  119.586   6.0352  ?   ?  0.000000 6.035230 
1 1 1   16   20   19 o   86.749   8.2248  1179.70  215.172  1179.70  215.172   0.0000   0.0000   86.749   8.2248  ?   ?  0.000000 8.224816 
1 1 1   16   20   20 o   99.610   3.5501  1519.67  107.935  1447.21  152.975  1591.50  152.312   96.873   5.1926  101.772   4.9033 -4.898506 7.141837 
1 1 1   16   20   21 o  168.309   5.7517  4365.32  295.476  4401.29  326.562  4202.90  693.900  168.827   6.3373  160.660   14.300 8.166916 15.64139 
1 1 1   16   21    0 o  227.414   6.5588  7952.42  454.402  7952.42  454.402  7952.42  454.402  227.414   6.5588  227.414   6.5588 0.000000 0.000000 
1 1 1   16   21    1 o   42.681   5.7499  285.041   72.999  299.965   75.875   99.321  267.656   43.790   5.8211   36.882   15.049 6.907280 16.13561 
1 1 1   16   21    2 o  131.833   5.1737  2668.70  208.182  2513.73  225.247  3576.77  545.252  127.853   5.7721  150.199   11.994 -22.34609 13.31030 
1 1 1   16   21    3 o   89.345   4.4447  1223.79  121.207  1272.30  128.566  836.098  363.457   90.962   4.6462   70.367   17.092 20.59501 17.71234 
1 1 1   16   21    4 o  260.697   10.208 10623.76  812.249 10218.45  1416.70 10822.24  991.372  248.156   18.845  261.640   12.414 -13.48367 22.56622 
1 1 1   16   21    5 o  113.023   9.3197  2001.89  318.637  2111.65  475.655  1912.54  429.163  114.330   13.918  109.059   13.159 5.271385 19.15336 
1 1 1   16   21    6 o  263.153   18.772 11496.75  1497.86   0.0000   0.0000 11496.75  1497.86  ?   ?   263.153   18.772 0.000000 18.77163 
1 1 1   16   21    7 o  222.293   11.197  7786.98  757.268   0.0000   0.0000  7786.98  757.268  ?   ?   222.293   11.197 0.000000 11.19700 
1 1 1   16   21    8 o  180.392   5.2426  4999.61  288.655  4944.12  342.056  5136.86  538.005  179.134   6.2561  181.115   9.7684 -1.980789 11.60002 
1 1 1   16   21    9 o   22.809   10.364 -88.2500  157.343 -341.4759  265.625   48.630  195.292   25.389   12.140   30.694   12.723 -5.305485 17.58571 
1 1 1   16   21   10 o  187.389   8.9404  5467.75  511.351  6637.77  1347.60  5270.94  552.686  194.951   23.096  183.321   9.9144 11.63000 25.13446 
1 1 1   16   21   11 o   98.179   7.2838  1499.10  216.714  1647.51  407.797  1440.70  255.829  100.733   13.612   95.810   8.8482 4.922882 16.23502 
1 1 1   16   21   12 f  129.716   5.0767  2585.43  200.999  2611.44  251.778  2539.73  333.755  130.120   6.3395  127.476   8.6288 2.644424 10.70726 
1 1 1   16   21   13 o  106.627   4.2499  1743.58  138.311  1744.95  146.667  1732.61  415.707  106.636   4.5062  103.282   13.511 3.354248 14.24256 
1 1 1   16   21   14 o  106.898   5.4566  1762.82  177.443  1762.82  177.443   0.0000   0.0000  106.898   5.4566  ?   ?  0.000000 5.456615 
1 1 1   16   21   15 o  170.405   5.9228  4475.85  308.053  4475.85  308.053   0.0000   0.0000  170.405   5.9228  ?   ?  0.000000 5.922792 
1 1 1   16   21   16 o  111.038   6.3874  1910.17  215.565  2055.18  254.114  1537.99  407.097  114.938   7.2811   96.728   14.213 18.20937 15.96917 
1 1 1   16   21   17 o   93.787   21.260  1570.39  594.527  1570.39  594.527   0.0000   0.0000   93.787   21.260  ?   ?  0.000000 21.25952 
1 1 1   16   22    0 o  226.415   7.1059  7901.72  489.974  7901.72  489.974  7901.72  489.974  226.415   7.1059  226.415   7.1059 0.000000 0.000000 
1 1 1   16   22    1 o   58.879   5.0853  536.709   90.493  534.981   94.901  554.029  300.418   58.739   5.3520   57.330   16.362 1.408909 17.21497 
1 1 1   16   22    2 o  123.581   4.8443  2345.83  182.726  2324.57  197.189  2475.04  486.085  122.950   5.2546  123.884   13.052 -0.9334183 14.06970 
1 1 1   16   22    3 o  137.242   9.3862  2957.34  390.822  2967.58  562.952  2947.81  543.000  135.316   13.824  135.129   13.340 0.1873627 19.21086 
1 1 1   16   22    4 o   61.358   17.213  641.580  335.472  641.580  335.472   0.0000   0.0000   61.358   17.213  ?   ?  0.000000 17.21340 
1 1 1   16   22    5 o  133.118   14.016  2879.40  560.907  2879.40  560.907   0.0000   0.0000  133.118   14.016  ?   ?  0.000000 14.01561 
1 1 1   16   22    6 o  134.474   3.5589  2769.66  146.072  2966.63  217.894  2608.88  196.858  138.904   5.1394  130.295   4.9500 8.609055 7.135578 
1 1 1   16   22    7 o  124.524   3.4842  2374.68  132.426  2393.83  198.956  2359.45  177.442  124.754   5.2250  123.949   4.6903 0.8054962 7.021319 
1 1 1   16   22    8 o  100.712   8.8498  1594.46  269.280   0.0000   0.0000  1594.46  269.280  ?   ?   100.712   8.8498 0.000000 8.849828 
1 1 1   16   22    9 o  182.123   9.9777  5224.85  552.530   0.0000   0.0000  5224.85  552.530  ?   ?   182.123   9.9777 0.000000 9.977683 
1 1 1   16   22   10 o  137.800   5.0740  2920.28  213.410  3069.88  269.938  2670.93  348.513  141.000   6.2723  130.510   8.8004 10.49014 10.80688 
1 1 1   16   22   11 o  193.017   6.2202  5752.75  366.452  5752.75  366.452   0.0000   0.0000  193.017   6.2202  ?   ?  0.000000 6.220205 
1 1 1   17    0    1 o  122.570   5.3939  2308.50  200.904  2308.50  200.904  2308.50  200.904  122.570   5.3939  122.570   5.3939 0.000000 0.000000 
1 1 1   17    0    5 o  395.801   11.148 24075.09  1344.30 24075.09  1344.30 24075.09  1344.30  395.801   11.148  395.801   11.148 0.000000 0.000000 
1 1 1   17    0    6 o  210.181   15.716  6914.79  995.239  6914.79  995.239  6914.79  995.239  210.181   15.716  210.181   15.716 0.000000 0.000000 
1 1 1   17    0    7 o   98.597   5.4820  1498.96  163.811  1498.96  163.811  1498.96  163.811   98.597   5.4820   98.597   5.4820 0.000000 0.000000 
1 1 1   17    0    8 o  128.698   9.2163  2574.28  357.766  2574.28  357.766  2574.28  357.766  128.698   9.2163  128.698   9.2163 0.000000 0.000000 
1 1 1   17    0    9 o   21.972   11.815  105.336  109.479  105.336  109.479  105.336  109.479   21.972   11.815   21.972   11.815 0.000000 0.000000 
1 1 1   17    0   10 o  165.000   9.4152  4209.03  470.633  4209.03  470.633  4209.03  470.633  165.000   9.4152  165.000   9.4152 0.000000 0.000000 
1 1 1   17    0   11 o  276.128   7.6243 11688.35  641.475 11688.35  641.475 11688.35  641.475  276.128   7.6243  276.128   7.6243 0.000000 0.000000 
1 1 1   17    0   12 o   38.719   8.4286  259.241   87.281  259.241   87.281  259.241   87.281   38.719   8.4286   38.719   8.4286 0.000000 0.000000 
1 1 1   17    0   13 o  243.856   5.4628  9099.27  406.137  9099.27  406.137  9099.27  406.137  243.856   5.4628  243.856   5.4628 0.000000 0.000000 
1 1 1   17    0   14 o  174.782   4.3512  4674.21  231.800  4674.21  231.800  4674.21  231.800  174.782   4.3512  174.782   4.3512 0.000000 0.000000 
1 1 1   17    0   15 o  550.790   13.961 46743.86  2343.60 46743.86  2343.60 46743.86  2343.60  550.790   13.961  550.790   13.961 0.000000 0.000000 
1 1 1   17    0   16 o  196.234   6.3747  5904.86  380.897  5904.86  380.897  5904.86  380.897  196.234   6.3747  196.234   6.3747 0.000000 0.000000 
1 1 1   17    0   17 o   11.354   7.9374 -102.2672  101.679 -102.2672  101.679 -102.2672  101.679   11.354   7.9374   11.354   7.9374 0.000000 0.000000 
1 1 1   17    0   18 o  362.752   13.184 20306.26  1455.41 20306.26  1455.41 20306.26  1455.41  362.752   13.184  362.752   13.184 0.000000 0.000000 
1 1 1   17    0   19 o  140.465   11.871  3092.62  500.591  3092.62  500.591  3092.62  500.591  140.465   11.871  140.465   11.871 0.000000 0.000000 
1 1 1   17    0   20 o  139.383   5.6549  2983.59  239.674  2983.59  239.674  2983.59  239.674  139.383   5.6549  139.383   5.6549 0.000000 0.000000 
1 1 1   17    0   21 o   51.541   22.954  595.637  382.718  595.637  382.718  595.637  382.718   51.541   22.954   51.541   22.954 0.000000 0.000000 
1 1 1   17    0   22 o  364.820   7.3769 20387.51  820.666 20387.51  820.666 20387.51  820.666  364.820   7.3769  364.820   7.3769 0.000000 0.000000 
1 1 1   17    0   23 o  374.750   8.7682 21545.99  1001.68 21545.99  1001.68 21545.99  1001.68  374.750   8.7682  374.750   8.7682 0.000000 0.000000 
1 1 1   17    0   24 o  140.412   5.1453  3024.84  219.840  3024.84  219.840  3024.84  219.840  140.412   5.1453  140.412   5.1453 0.000000 0.000000 
1 1 1   17    0   25 o   47.126   15.155  432.517  192.396  432.517  192.396  432.517  192.396   47.126   15.155   47.126   15.155 0.000000 0.000000 
1 1 1   17    0   26 o  210.466   4.1775  6774.34  268.120  6774.34  268.120  6774.34  268.120  210.466   4.1775  210.466   4.1775 0.000000 0.000000 
1 1 1   17    0   27 o   69.066   9.6097  772.486  191.366  772.486  191.366  772.486  191.366   69.066   9.6097   69.066   9.6097 0.000000 0.000000 
1 1 1   17    0   28 o  175.671   5.2787  4730.07  282.459  4730.07  282.459  4730.07  282.459  175.671   5.2787  175.671   5.2787 0.000000 0.000000 
1 1 1   17    0   29 o  170.895   9.5876  4523.95  496.498  4523.95  496.498  4523.95  496.498  170.895   9.5876  170.895   9.5876 0.000000 0.000000 
1 1 1   17    0   30 o   81.699   5.5113  1034.47  135.997  1034.47  135.997  1034.47  135.997   81.699   5.5113   81.699   5.5113 0.000000 0.000000 
1 1 1   17    0   31 o  260.874   4.9594 10414.98  394.571 10414.98  394.571 10414.98  394.571  260.874   4.9594  260.874   4.9594 0.000000 0.000000 
1 1 1   17    0   32 o  342.828   23.439 18904.50  2426.32 18904.50  2426.32 18904.50  2426.32  342.828   23.439  342.828   23.439 0.000000 0.000000 
1 1 1   17    0   33 o  135.820   6.1691  2841.10  254.541  2841.10  254.541  2841.10  254.541  135.820   6.1691  135.820   6.1691 0.000000 0.000000 
1 1 1   17    0   34 o  330.050   13.705 16978.00  1375.23 16978.00  1375.23 16978.00  1375.23  330.050   13.705  330.050   13.705 0.000000 0.000000 
1 1 1   17    0   35 o  307.893   5.8379 14529.17  548.178 14529.17  548.178 14529.17  548.178  307.893   5.8379  307.893   5.8379 0.000000 0.000000 
1 1 1   17    0   36 o  244.583   6.2591  9183.97  466.565  9183.97  466.565  9183.97  466.565  244.583   6.2591  244.583   6.2591 0.000000 0.000000 
1 1 1   17    0   37 o  206.619   11.345  6666.71  710.523  6666.71  710.523  6666.71  710.523  206.619   11.345  206.619   11.345 0.000000 0.000000 
1 1 1   17    0   38 f   80.836   6.5295  1021.65  158.683  1021.65  158.683  1021.65  158.683   80.836   6.5295   80.836   6.5295 0.000000 0.000000 
1 1 1   17    0   39 o   72.127   7.1887  822.528  154.652  822.528  154.652  822.528  154.652   72.127   7.1887   72.127   7.1887 0.000000 0.000000 
1 1 1   17    0   40 o  102.708   6.1334  1635.55  190.704  1635.55  190.704  1635.55  190.704  102.708   6.1334  102.708   6.1334 0.000000 0.000000 
1 1 1   17    0   41 o  111.122   6.0622  1911.69  204.215  1911.69  204.215  1911.69  204.215  111.122   6.0622  111.122   6.0622 0.000000 0.000000 
1 1 1   17    1    0 o  105.139   17.061  1830.18  504.256  1830.18  504.256  1830.18  504.256  105.139   17.061  105.139   17.061 0.000000 0.000000 
1 1 1   17    1    1 o  218.694   6.1874  7315.77  413.011   0.0000   0.0000  7315.77  413.011  ?   ?   218.694   6.1874 0.000000 6.187389 
1 1 1   17    1    2 o  477.409   20.737 35682.96  3021.70   0.0000   0.0000 35682.96  3021.70  ?   ?   477.409   20.737 0.000000 20.73687 
1 1 1   17    1    3 o  197.061   6.5864  5941.80  396.157   0.0000   0.0000  5941.80  396.157  ?   ?   197.061   6.5864 0.000000 6.586445 
1 1 1   17    1    4 o  225.708   5.0372  7786.52  347.015  8526.68  489.444  7038.38  492.074  236.044   6.7935  214.390   7.5199 21.65440 10.13408 
1 1 1   17    1    5 o  224.485   11.885  7777.28  811.416  7777.28  811.416   0.0000   0.0000  224.485   11.885  ?   ?  0.000000 11.88471 
1 1 1   17    1    6 o  159.937   10.367  3945.28  503.357  3945.28  503.357   0.0000   0.0000  159.937   10.367  ?   ?  0.000000 10.36704 
1 1 1   17    1    7 o  190.994   4.2720  5573.21  249.040  5487.44  258.486  6682.81  929.700  189.508   4.4688  207.386   14.784 -17.87776 15.44487 
1 1 1   17    1    8 o  169.929   8.8783  4439.79  458.884  4113.99  554.151  5150.66  818.553  163.191   11.193  181.912   14.873 -18.72018 18.61383 
1 1 1   17    1    9 o  191.570   4.1053  5606.47  240.042  5694.39  333.135  5511.53  346.182  192.978   5.6558  189.832   5.9747 3.145294 8.227135 
1 1 1   17    1   10 o  105.893   3.9563  1712.92  127.871  1736.13  400.704  1710.29  134.926  105.398   12.712  105.806   4.1780 -0.4073792 13.38143 
1 1 1   17    1   11 o  157.090   3.4559  3768.81  165.700  3894.79  273.655  3695.88  208.208  159.598   5.6177  155.528   4.3860 4.069778 7.127135 
1 1 1   17    1   12 o  457.789   10.023 32182.39  1400.51 33647.37  2768.70 31678.66  1623.53  464.077   19.546  453.674   11.725 10.40311 22.79327 
1 1 1   17    1   13 f  147.647   5.0053  3332.10  225.564  3333.10  422.473  3331.71  266.769  147.073   9.4615  147.592   5.9218 -0.5188141 11.16188 
1 1 1   17    1   14 o  431.517   7.2719 28512.59  957.779 28273.65  1084.20 29361.63  2043.78  429.494   8.2706  435.375   15.380 -5.880554 17.46266 
1 1 1   17    1   15 o   57.487   5.5185  509.960   95.639  456.545  156.971  541.495  120.610   53.683   9.9463   59.091   6.8120 -5.407696 12.05540 
1 1 1   17    1   16 o  313.992   7.4266 15100.14  711.744 14455.14  823.127 17011.43  1416.93  306.993   8.7846  331.760   13.993 -24.76700 16.52176 
1 1 1   17    1   17 o  234.150   4.4899  8378.30  320.883  7849.46  826.263  8472.22  348.214  225.396   12.054  235.433   4.8458 -10.03705 12.99156 
1 1 1   17    1   18 o  124.757   3.3717  2377.14  128.391  2489.05  169.097  2224.78  197.293  127.628   4.3408  120.623   5.3588 7.005478 6.896297 
1 1 1   17    1   19 o  191.611   8.5755  5631.51  501.530  5673.75  720.331  5591.76  698.704  191.415   12.396  190.085   12.106 1.330444 17.32655 
1 1 1   17    1   20 o  165.655   4.5554  4194.05  230.331  4459.21  337.356  3962.52  315.241  170.684   6.4756  160.902   6.4190 9.782394 9.117907 
1 1 1   17    1   21 o  206.687   6.5310  6539.66  412.010  6585.68  570.080  6489.34  596.133  207.123   9.0176  205.536   9.5025 1.587097 13.10018 
1 1 1   17    1   22 o  180.503   3.0291  4975.67  166.883  5097.32  234.492  4850.82  237.553  182.638   4.2065  178.158   4.3686 4.480042 6.064571 
1 1 1   17    1   23 o  344.178   6.6092 18139.15  694.303 18314.63  1253.63 18061.51  833.870  344.537   11.921  343.181   7.9608 1.355743 14.33486 
1 1 1   17    1   24 o  152.352   3.5843  3545.90  166.674  3357.50  225.319  3773.56  247.693  148.178   4.9819  157.079   5.1663 -8.901306 7.177033 
1 1 1   17    1   25 o  288.262   10.894 12806.23  958.523 12514.88  1139.45 13511.45  1772.74  284.337   13.129  292.118   20.003 -7.780792 23.92690 
1 1 1   17    1   26 o  239.217   3.9820  8745.10  290.743  8660.14  346.432  8947.50  534.702  237.981   4.7694  241.586   7.2514 -3.605026 8.679278 
1 1 1   17    1   27 o  175.300   4.5077  4698.39  241.188  4419.23  441.337  4817.26  287.998  169.395   8.5638  177.440   5.3177 -8.044998 10.08045 
1 1 1   17    1   28 o   54.293   4.9354  454.590   80.892  412.513   97.191  549.450  145.930   51.512   6.3138   59.245   8.2977 -7.732700 10.42669 
1 1 1   17    1   29 o  153.866   4.5565  3620.56  213.990  3596.07  222.325  3928.81  788.895  153.331   4.7505  157.471   16.667 -4.139694 17.33062 
1 1 1   17    1   30 o  153.025   3.4369  3578.10  160.526  3361.84  209.641  3884.63  249.583  148.252   4.6329  159.322   5.1324 -11.06984 6.914176 
1 1 1   17    1   31 o   92.897   3.2868  1318.62   93.195  1068.18  131.031  1575.01  132.577   83.377   5.1744  101.485   4.2800 -18.10760 6.715128 
1 1 1   17    1   32 o  106.020   3.9076  1718.53  126.449  1553.93  174.202  1901.85  183.839  100.551   5.6995  111.438   5.4049 -10.88648 7.854750 
1 1 1   17    1   33 o  124.233   3.7744  2359.73  143.120  2541.82  195.459  2149.26  210.144  128.851   4.9700  118.414   5.8143 10.43635 7.648931 
1 1 1   17    1   34 f  127.879   4.6938  2503.32  183.205  1969.95  299.866  2820.98  231.418  112.678   8.7886  135.663   5.5888 -22.98529 10.41509 
1 1 1   17    1   35 o  127.214   3.7810  2475.13  146.810  1935.00  372.452  2574.49  159.743  111.036   11.140  129.723   4.0345 -18.68687 11.84810 
1 1 1   17    1   36 o  163.249   4.8832  4083.25  243.320  4086.05  278.294  4074.16  501.341  163.206   5.5866  161.691   10.211 1.515091 11.63935 
1 1 1   17    1   37 o  180.405   3.7743  4979.67  207.826  5069.81  288.563  4882.52  299.567  181.820   5.1997  178.378   5.5022 3.442108 7.570426 
1 1 1   17    1   38 o  130.047   3.1421  2586.01  124.721  3048.03  219.613  2366.05  151.529  140.963   5.1043  124.319   3.9934 16.64394 6.480807 
1 1 1   17    1   39 o   49.759   3.7149  381.063   56.014  483.812  460.553  379.520   56.433   57.069   20.616   49.654   3.7513 7.415543 20.95447 
1 1 1   17    1   40 o   79.310   5.4328  970.880  130.721  1063.15  165.015  815.409  214.196   82.800   6.5838   71.616   10.078 11.18465 12.03785 
1 1 1   17    1   41 o   88.790   4.5660  1212.46  123.325  1168.54  180.756  1250.72  168.684   86.737   6.8843   89.900   6.1851 -3.163353 9.254684 
1 1 1   17    2    1 o  284.257   8.3846 12383.54  727.465   0.0000   0.0000 12383.54  727.465  ?   ?   284.257   8.3846 0.000000 8.384641 
1 1 1   17    2    2 o  344.956   15.463 18421.93  1628.05 19004.52  2302.66 17839.60  2302.16  347.301   21.833  336.085   22.573 11.21594 31.40482 
1 1 1   17    2    3 o  103.370   5.4031  1638.03  169.880  3064.19  491.207  1444.27  181.053  140.672   11.542   96.977   6.1485 43.69484 13.07758 
1 1 1   17    2    4 o  120.316   4.9082  2212.43  180.245  2221.90  187.587  2098.48  650.599  120.567   5.0975  114.517   19.300 6.049644 19.96144 
1 1 1   17    2    5 o  367.797   8.1872 20728.17  919.095 21462.57  1822.89 20477.83  1064.27  372.126   16.049  365.304   9.5451 6.821472 18.67315 
1 1 1   17    2    6 o  210.912   6.1710  6804.43  397.259  6804.43  397.259   0.0000   0.0000  210.912   6.1710  ?   ?  0.000000 6.171000 
1 1 1   17    2    7 o  184.217   4.4962  5185.39  252.809  5185.39  252.809   0.0000   0.0000  184.217   4.4962  ?   ?  0.000000 4.496200 
1 1 1   17    2    8 o  149.459   10.801  3450.75  489.419  3450.75  489.419   0.0000   0.0000  149.459   10.801  ?   ?  0.000000 10.80127 
1 1 1   17    2    9 f  230.548   7.1464  8137.05  502.882  8137.05  502.882   0.0000   0.0000  230.548   7.1464  ?   ?  0.000000 7.146413 
1 1 1   17    2   10 o  331.795   6.3957 16843.01  647.700 16842.82  918.679 16843.20  913.317  331.370   9.0831  331.384   9.0297 -0.1361084E-01 12.80772 
1 1 1   17    2   11 o  303.186   5.7910 14057.44  535.894 14063.25  732.657 14050.75  785.876  302.975   7.9228  302.751   8.5045 0.2239380 11.62315 
1 1 1   17    2   12 o   42.949   9.4624  294.107  120.695  259.717  128.356  556.673  354.668   40.358   10.366   59.540   17.994 -19.18139 20.76574 
1 1 1   17    2   13 o   69.553   6.6232  746.989  138.908  621.303  147.343  1751.40  416.526   63.211   7.8026  105.757   13.191 -42.54616 15.32546 
1 1 1   17    2   14 o  210.169   5.5549  6754.25  356.335  6693.31  615.964  6784.91  436.856  208.803   9.6650  210.542   6.7980 -1.739304 11.81630 
1 1 1   17    2   15 o  369.579   5.8103 20890.43  655.422 21826.78  831.829 19357.28  1064.40  377.547   7.2185  355.041   9.8222 22.50583 12.18944 
1 1 1   17    2   16 o   61.721   4.5428  585.312   84.980  667.031  170.696  558.384   97.985   65.371   8.7767   60.191   5.3906 5.179569 10.29995 
1 1 1   17    2   17 o  295.150   5.6407 13322.77  508.149 13158.14  784.269 13441.89  667.122  292.880   8.7732  296.243   7.3780 -3.362915 11.46316 
1 1 1   17    2   18 o  162.064   4.8018  4014.61  237.525  3748.69  520.892  4084.42  266.888  155.703   11.032  163.436   5.3501 -7.733276 12.26086 
1 1 1   17    2   19 o  148.738   3.8987  3379.79  176.994  3398.96  478.703  3376.75  190.493  148.281   10.648  148.659   4.1983 -0.3773804 11.44567 
1 1 1   17    2   20 o  169.196   3.5628  4372.83  183.990  4280.82  222.949  4569.29  325.789  167.369   4.3643  172.799   6.1770 -5.429688 7.563230 
1 1 1   17    2   21 o  280.992   3.8748 12062.92  332.327 11821.33  416.304 12487.32  551.776  278.072   4.9050  285.631   6.3291 -7.558716 8.007249 
1 1 1   17    2   22 o   43.766   5.3400  297.286   69.854  246.139  102.634  341.427   95.346   39.280   8.7812   46.719   6.8935 -7.439445 11.16378 
1 1 1   17    2   23 o   71.421   5.1305  784.073  111.097  660.057  274.172  808.436  121.521   64.020   14.382   72.486   5.5344 -8.466713 15.41029 
1 1 1   17    2   24 o  221.378   3.3951  7486.15  229.406  7455.16  364.357  7506.51  295.283  220.761   5.4074  221.611   4.3655 -0.8499756 6.949605 
1 1 1   17    2   25 o  277.908   5.6268 11817.91  477.289 11797.41  529.963 11905.91  1098.14  277.580   6.2552  277.360   12.972 0.2203979 14.40115 
1 1 1   17    2   26 o   52.773   4.5438  428.931   72.477  387.310   83.353  557.919  146.738   50.004   5.5552   59.728   8.2711 -9.723366 9.963558 
1 1 1   17    2   27 o  250.956   4.3802  9628.19  335.514  9665.98  447.280  9579.57  507.356  251.278   5.8319  250.036   6.6480 1.241821 8.843458 
1 1 1   17    2   28 o  520.627   9.1582 41698.98  1455.31 42468.20  1633.07 38731.56  3207.51  524.907   10.193  493.138   21.310 31.76917 23.62231 
1 1 1   17    2   29 o  101.709   3.3512  1580.53  104.036  1456.58  142.669  1721.28  152.035   97.582   4.7901  106.084   4.6954 -8.501732 6.707622 
1 1 1   17    2   30 o  166.492   3.2947  4235.24  167.429  4417.90  275.313  4128.04  210.913  169.887   5.3095  164.311   4.2055 5.575577 6.773242 
1 1 1   17    2   31 o  386.191   5.8235 22849.01  686.445 23069.35  969.306 22627.32  972.259  387.317   8.1993  383.551   8.3050 3.766479 11.67058 
1 1 1   17    2   32 o  245.146   3.5592  9185.55  266.312  9118.09  333.909  9303.47  441.470  244.134   4.4811  246.388   5.8704 -2.253860 7.385207 
1 1 1   17    2   33 o  380.333   4.2947 22129.05  498.551 21893.03  688.761 22388.82  722.567  377.874   5.9718  382.060   6.1963 -4.186646 8.605578 
1 1 1   17    2   34 o  126.790   3.8590  2458.53  149.339  2423.57  209.264  2494.81  213.184  125.754   5.4520  127.587   5.4744 -1.832611 7.726126 
1 1 1   17    2   35 o  415.671   7.7853 26615.22  987.734 25965.70  2076.09 26805.26  1122.97  403.735   16.847  416.599   8.8315 -12.86420 19.02185 
1 1 1   17    2   36 o  150.596   4.9021  3475.10  225.326  3461.03  451.921  3479.76  259.941  149.027   9.9932  150.596   5.6551 -1.569244 11.48234 
1 1 1   17    2   37 o   54.950   5.8730  468.910   96.977  475.291  112.309  450.206  192.270   55.165   6.8151   52.588   12.213 2.577168 13.98557 
1 1 1   17    2   38 o  269.486   4.7529 11133.03  390.939 10934.04  674.289 11233.78  479.812  265.843   8.3100  270.402   5.8136 -4.558899 10.14173 
1 1 1   17    2   39 o  184.155   3.3211  5187.82  186.675  5313.30  241.751  5002.52  293.787  186.227   4.2531  180.498   5.3326 5.728943 6.821013 
1 1 1   17    2   40 o   29.614   9.5100  133.689   97.469  132.393  138.073  134.975  137.613   31.388   11.295   31.527   11.283 -0.1386051 15.96520 
1 1 1   17    2   41 o  109.968   3.6323  1851.56  121.916  2088.78  198.296  1707.40  154.584  116.542   5.5746  105.471   4.8019 11.07110 7.357621 
1 1 1   17    3    1 o  273.821   18.466 11728.12  1534.34 11728.12  1534.34   0.0000   0.0000  273.821   18.466  ?   ?  0.000000 18.46647 
1 1 1   17    3    2 o  394.804   8.2447 23885.51  993.508 22926.82  1964.39 24215.02  1151.66  384.345   16.745  397.251   9.4982 -12.90677 19.25141 
1 1 1   17    3    3 o  111.656   3.0846  1903.72  105.123  2187.07  132.209  1416.64  173.342  119.665   3.6197   96.061   5.9413 23.60365 6.957086 
1 1 1   17    3    4 o  108.592   3.7530  1801.19  124.394  1610.63  184.164  1961.06  168.691  102.453   5.9144  113.276   4.8791 -10.82305 7.667192 
1 1 1   17    3    5 o  360.629   9.0509 19946.54  996.256 22101.84  1848.23 19063.84  1182.80  377.614   16.036  352.141   11.005 25.47287 19.44868 
1 1 1   17    3    6 o  418.992   7.2877 26878.29  932.000 28644.33  1270.54 24821.01  1371.31  432.017   9.6354  401.761   11.183 30.25601 14.76134 
1 1 1   17    3    7 o  263.399   6.6296 10616.52  532.988 11553.09  1081.68 10316.22  612.506  273.742   12.946  259.522   7.7325 14.21994 15.07959 
1 1 1   17    3    8 o   93.673   5.5303  1346.28  157.417  794.967  372.587  1466.08  173.680   70.162   17.466   97.737   5.8489 -27.57473 18.41977 
1 1 1   17    3    9 o  276.537   18.542 11967.86  1556.00 11967.86  1556.00   0.0000   0.0000  276.537   18.542  ?   ?  0.000000 18.54218 
1 1 1   17    3   10 o   95.160   5.8389  1390.07  168.772  1390.07  168.772   0.0000   0.0000   95.160   5.8389  ?   ?  0.000000 5.838912 
1 1 1   17    3   11 o  126.647   5.4614  2452.36  211.112  2452.36  211.112   0.0000   0.0000  126.647   5.4614  ?   ?  0.000000 5.461361 
1 1 1   17    3   12 o  272.274   6.4945 11343.64  539.716 11559.13  896.320 11221.07  676.009  274.222   10.709  270.587   8.1852 3.635132 13.47875 
1 1 1   17    3   13 o  128.809   5.8969  2537.72  231.842  2537.72  231.842   0.0000   0.0000  128.809   5.8969  ?   ?  0.000000 5.896949 
1 1 1   17    3   14 o  235.822   5.0162  8500.79  361.057  8514.69  377.146  8348.11  1249.51  235.998   5.2358  230.871   17.871 5.126312 18.62226 
1 1 1   17    3   15 o  233.744   4.5066  8349.19  321.520  8883.56  709.950  8211.31  360.621  240.534   9.6702  231.763   5.0979 8.771271 10.93162 
1 1 1   17    3   16 o  208.004   3.2197  6607.37  204.408  6751.97  287.891  6460.37  290.277  210.199   4.4872  205.602   4.6256 4.597763 6.444499 
1 1 1   17    3   17 o  251.007   4.8494  9630.47  371.530  9640.63  544.141  9621.59  508.512  250.911   7.1052  250.717   6.6451 0.1944580 9.728357 
1 1 1   17    3   18 f  271.431   9.0624 11307.31  750.797 10606.57  1426.58 11575.76  882.975  260.129   18.080  274.362   10.544 -14.23257 20.92991 
1 1 1   17    3   19 o  394.381   5.1714 23781.43  622.508 24286.63  879.948 23275.28  880.773  398.188   7.2402  389.777   7.4034 8.411682 10.35523 
1 1 1   17    3   20 o  154.535   3.9276  3648.57  185.253  3791.76  424.751  3614.93  205.865  156.928   8.9045  153.799   4.3854 3.128418 9.925846 
1 1 1   17    3   21 o  386.279   6.5481 22844.00  772.024 22852.23  838.963 22798.46  1972.37  386.238   7.1166  382.471   16.896 3.766907 18.33318 
1 1 1   17    3   22 f  235.156   4.1250  8450.20  296.073  7486.20  629.136  8724.43  335.553  220.745   9.3376  238.904   4.6017 -18.15874 10.40996 
1 1 1   17    3   23 o  248.196   4.7868  9418.11  362.623  9815.30  564.081  9138.35  473.406  253.071   7.3027  244.314   6.3485 8.757370 9.676361 
1 1 1   17    3   24 o  149.982   3.1053  3435.64  142.155  3610.04  175.763  3105.79  241.722  153.714   3.7463  142.476   5.5585 11.23750 6.703071 
1 1 1   17    3   25 f  301.848   6.3586 13952.73  585.819 13896.75  660.949 14157.86  1265.12  301.097   7.1919  302.165   13.717 -1.068390 15.48838 
1 1 1   17    3   26 o  214.142   3.7513  7007.05  245.187  7055.99  257.079  6514.57  815.576  214.876   3.9198  204.643   13.126 10.23308 13.69919 
1 1 1   17    3   27 o   95.340   3.4710  1388.75  101.006  1392.73  110.206  1367.84  252.523   95.466   3.7822   93.912   8.9167 1.554771 9.685673 
1 1 1   17    3   28 o   99.234   4.2918  1505.53  129.993  1446.32  144.338  1759.79  299.101   97.115   4.8850  106.539   9.2909 -9.424072 10.49689 
1 1 1   17    3   29 o  171.017   4.5526  4472.97  237.639  4635.31  268.045  3876.71  513.697  174.051   5.0456  158.098   10.709 15.95306 11.83777 
1 1 1   17    3   30 o  159.111   3.5013  3868.73  170.036  3916.68  299.948  3846.02  206.406  159.871   6.1469  158.592   4.2641 1.279129 7.481112 
1 1 1   17    3   31 o  269.410   5.1751 11111.35  425.549 11066.34  503.129 11224.47  797.670  268.694   6.1348  269.728   9.6890 -1.034332 11.46792 
1 1 1   17    3   32 o  110.079   3.0901  1851.46  103.823  1755.26  151.421  1936.81  142.628  107.102   4.6321  112.534   4.1524 -5.432297 6.220821 
1 1 1   17    3   33 o   62.049   3.8691  591.011   72.911  691.697  115.470  524.251   94.025   66.937   5.7063   58.256   5.3476 8.680504 7.820413 
1 1 1   17    3   34 o  148.963   4.2934  3395.50  195.207  3431.61  233.097  3310.71  357.188  149.670   5.1025  146.390   8.0247 3.280029 9.509510 
1 1 1   17    3   35 o  213.061   4.9809  6955.04  323.911  5842.98  843.157  7147.58  350.832  192.010   14.494  215.930   5.3232 -23.91994 15.44030 
1 1 1   17    3   36 o   28.828   9.9301  117.686  105.877 -87.9618  701.579  122.479  107.104   51.565   22.762   29.245   9.9904 22.32028 24.85793 
1 1 1   17    3   37 o   51.042   7.1063  408.853  107.706  405.881  142.544  412.807  164.427   50.330   9.6299   50.504   10.980 -0.1740227 14.60444 
1 1 1   17    3   38 o  159.477   4.5466  3897.73  221.310  4181.85  789.164  3873.47  230.562  160.534   16.333  158.949   4.7524 1.584274 17.01073 
1 1 1   17    3   39 o  157.916   2.8669  3812.63  138.181  3923.75  209.284  3726.75  183.987  160.023   4.2849  156.012   3.8638 4.010056 5.769641 
1 1 1   17    3   40 o  111.132   4.5327  1893.98  153.751  2100.13  671.549  1882.57  157.947  110.532   20.665  110.781   4.6712 -0.2484894 21.18656 
1 1 1   17    3   41 o  181.528   5.1144  5062.18  283.372  5236.92  337.852  4647.58  520.402  184.406   6.0025  172.103   9.9492 12.30281 11.61970 
1 1 1   17    4    0 o  234.589   11.493  8500.06  818.386  8500.06  818.386  8500.06  818.386  234.589   11.493  234.589   11.493 0.000000 0.000000 
1 1 1   17    4    1 o  328.213   12.031 16585.24  1205.25 16585.24  1205.25   0.0000   0.0000  328.213   12.031  ?   ?  0.000000 12.03108 
1 1 1   17    4    2 f  174.797   5.3530  4671.03  285.594  4671.03  285.594   0.0000   0.0000  174.797   5.3530  ?   ?  0.000000 5.353031 
1 1 1   17    4    3 o  338.356   5.2634 17501.27  543.575 17762.57  847.177 17318.42  708.691  340.470   8.1523  336.379   6.9026 4.091095 10.68198 
1 1 1   17    4    4 o  135.710   2.8712  2812.11  118.930  3005.79  140.964  2333.71  221.543  140.295   3.2919  123.530   5.8758 16.76517 6.735136 
1 1 1   17    4    5 o   80.334   4.8491  989.881  118.340  664.299  170.426  1293.03  164.450   65.244   8.7811   91.760   5.9030 -26.51668 10.58082 
1 1 1   17    4    6 o  242.794   6.2279  9017.80  461.524  8848.93  1193.56  9047.49  500.452  238.262   16.514  243.144   6.7434 -4.881744 17.83807 
1 1 1   17    4    7 o  158.097   3.8035  3817.89  183.536  3996.33  496.701  3789.68  197.515  160.995   10.160  157.500   4.1087 3.495255 10.95942 
1 1 1   17    4    8 o  348.186   6.5026 18550.16  691.060 19912.35  1676.65 18271.40  758.483  358.617   15.318  345.459   7.1934 13.15820 16.92270 
1 1 1   17    4    9 o  245.307   4.6410  9195.78  347.483  7982.34  488.624 10437.35  494.254  228.353   7.0105  261.205   6.1994 -32.85204 9.358435 
1 1 1   17    4   10 o  272.315   5.7266 11340.31  475.980 10911.30  641.458 11865.95  710.027  266.871   7.8750  278.232   8.3609 -11.36108 11.48562 
1 1 1   17    4   11 o  110.127   16.070  1918.50  524.242  1414.33  707.254  2533.28  781.001   92.847   24.573  125.502   21.140 -32.65494 32.41501 
1 1 1   17    4   12 o  320.086   8.7970 15713.12  859.446 15322.09  938.235 17752.38  2142.60  315.904   9.7306  335.756   21.013 -19.85202 23.15681 
1 1 1   17    4   13 o   75.911   6.3899  887.943  146.674  878.082  149.831  1114.62  718.364   75.464   6.5705   83.464   25.686 -7.999245 26.51263 
1 1 1   17    4   14 o  168.908   10.646  4403.26  546.044  4403.26  546.044   0.0000   0.0000  168.908   10.646  ?   ?  0.000000 10.64603 
1 1 1   17    4   15 o  142.114   4.0112  3085.48  173.993  3085.48  173.993   0.0000   0.0000  142.114   4.0112  ?   ?  0.000000 4.011237 
1 1 1   17    4   16 o   89.777   4.0178  1231.39  110.095  1225.06  156.382  1237.61  155.023   89.310   5.7676   89.776   5.6868 -0.4658890 8.099702 
1 1 1   17    4   17 o   71.617   5.2785  788.488  114.571  875.578  275.094  770.211  126.021   74.351   12.570   70.714   5.8924 3.637589 13.88272 
1 1 1   17    4   18 o   62.945   6.3391  612.466  120.133  608.159  127.065  648.741  368.751   62.667   6.7495   63.647   18.114 -0.9800987 19.33107 
1 1 1   17    4   19 o  298.681   5.0380 13639.42  459.286 13503.03  746.404 13722.53  582.652  296.731   8.2413  299.426   6.3753 -2.694580 10.41936 
1 1 1   17    4   20 o   93.793   3.4125  1343.71   97.692  1474.64  157.245  1261.40  124.671   98.057   5.2733   90.847   4.4961 7.210640 6.929827 
1 1 1   17    4   21 o  403.807   6.2380 24958.43  768.838 24620.55  1085.11 25299.04  1089.50  400.460   8.8777  405.963   8.7927 -5.503418 12.49501 
1 1 1   17    4   22 o   88.917   7.2268  1219.42  194.435  1453.47  739.585  1202.04  201.524   93.656   25.283   88.233   7.5559 5.423317 26.38762 
1 1 1   17    4   23 f  132.594   3.9420  2686.46  159.536  2916.29  259.514  2546.84  202.272  138.024   6.1601  129.046   5.1354 8.978455 8.019933 
1 1 1   17    4   24 o  126.027   4.0489  2427.25  155.746  2439.10  762.242  2426.73  159.102  122.587   21.135  126.010   4.1367 -3.422867 21.53616 
1 1 1   17    4   25 o  232.672   5.2465  8281.70  372.587  8011.22  527.169  8551.66  526.668  228.546   7.5572  236.167   7.3063 -7.621399 10.51159 
1 1 1   17    4   26 o  284.918   6.0546 12430.26  526.528 12322.02  554.898 13408.24  1668.02  283.618   6.4101  291.159   18.871 -7.541046 19.93015 
1 1 1   17    4   27 o  273.796   4.3991 11461.62  367.629 12039.07  471.090 10562.25  587.917  280.462   5.5032  262.402   7.3406 18.06006 9.174385 
1 1 1   17    4   28 o  195.520   3.6815  5842.00  219.704  5709.86  379.819  5908.44  269.336  193.025   6.4468  196.564   4.4893 -3.538940 7.855906 
1 1 1   17    4   29 o  241.891   10.034  9025.09  740.828  9317.27  1326.27  8892.58  893.157  242.317   18.062  239.182   12.276 3.135223 21.83851 
1 1 1   17    4   30 o   98.957   6.2985  1507.13  189.250   0.0000   0.0000  1507.13  189.250  ?   ?    98.957   6.2985 0.000000 6.298498 
1 1 1   17    4   31 o  130.046   3.6011  2584.99  142.937  2644.21  243.189  2553.74  176.676  131.340   6.0664  129.202   4.4801 2.137054 7.541393 
1 1 1   17    4   32 o  204.042   3.6643  6364.66  228.204  6620.79  390.977  6232.31  281.045  207.778   6.1650  201.813   4.5626 5.965210 7.669708 
1 1 1   17    4   33 o   28.628   8.5569  127.738   80.534   33.488  466.096  130.639   81.764   45.060   19.219   28.931   8.6163 16.12879 21.06202 
1 1 1   17    4   34 o  108.914   5.3610  1818.15  178.215  1793.14  228.042  1857.39  285.647  107.782   6.9692  109.381   8.6260 -1.598511 11.08952 
1 1 1   17    4   35 o  176.703   4.0315  4777.85  217.436   0.0000   0.0000  4777.85  217.436  ?   ?   176.703   4.0315 0.000000 4.031545 
1 1 1   17    4   36 o  138.450   3.8204  2932.96  161.445  3001.47  176.336  2577.96  401.399  140.027   4.1258  128.360   10.333 11.66783 11.12622 
1 1 1   17    4   37 o  108.725   5.2226  1813.61  173.316  1886.39  207.563  1646.02  314.981  110.601   6.1732  102.343   10.220 8.258400 11.93982 
1 1 1   17    4   38 o  223.413   5.2503  7661.50  358.020  7993.19  419.164  6766.80  688.421  227.990   6.0235  207.731   10.896 20.25993 12.44983 
1 1 1   17    4   39 o   51.099   6.1220  407.449   93.580  253.629  448.474  414.451   95.686   49.366   19.716   51.526   6.2093 -2.160316 20.67042 
1 1 1   17    4   40 o  167.997   3.6384  4320.98  186.562  4445.50  289.022  4232.03  244.266  170.035   5.5690  166.058   4.8193 3.977036 7.364738 
1 1 1   17    5    0 o   98.291   3.6530  1481.23  109.247  1481.23  109.247  1481.23  109.247   98.291   3.6530   98.291   3.6530 0.000000 0.000000 
1 1 1   17    5    1 o  257.609   5.0772 10143.82  399.210 10154.31  416.431 10024.85  1402.68  257.725   5.2938  253.080   18.282 4.644577 19.03266 
1 1 1   17    5    2 f  142.254   4.0070  3091.33  173.982  3091.33  173.982   0.0000   0.0000  142.254   4.0070  ?   ?  0.000000 4.007041 
1 1 1   17    5    3 o  160.289   4.1366  3925.15  202.377  3925.15  202.377   0.0000   0.0000  160.289   4.1366  ?   ?  0.000000 4.136562 
1 1 1   17    5    4 o   96.695   8.9643  1446.11  261.559  1639.46  352.264  1208.53  390.480  102.611   11.442   87.147   15.235 15.46390 19.05327 
1 1 1   17    5    5 o  305.954   11.615 14405.39  1084.65 15192.28  1840.89 13986.96  1342.40  311.302   19.472  300.748   14.624 10.55457 24.35220 
1 1 1   17    5    6 o  371.792   12.966 21316.51  1471.33 22094.11  2513.95 20911.39  1814.56  374.236   22.107  367.178   16.191 7.058044 27.40197 
1 1 1   17    5    7 o  188.510   4.3807  5429.71  252.052  5189.98  270.751  6987.62  690.209  184.278   4.8137  213.230   10.605 -28.95125 11.64648 
1 1 1   17    5    8 o  245.191   4.1616  9184.83  311.446  9153.92  329.791  9439.70  946.991  244.762   4.4145  247.163   12.595 -2.400574 13.34595 
1 1 1   17    5    9 o  251.342   4.8755  9655.42  374.027  9989.28  511.483  9271.69  548.346  255.495   6.5589  246.067   7.3010 9.427963 9.814514 
1 1 1   17    5   10 o  142.454   3.8550  3099.90  167.614  2554.77  548.674  3156.01  176.029  127.785   14.313  143.732   4.0125 -15.94669 14.86516 
1 1 1   17    5   11 o   62.611   6.5121  606.322  122.626  619.830  165.241  589.765  182.945   62.966   8.8417   61.163   10.156 1.802074 13.46540 
1 1 1   17    5   12 f  192.719   6.3092  5682.81  371.125  5597.99  392.578  6395.88  1138.26  191.242   6.7255  201.628   18.709 -10.38574 19.88110 
1 1 1   17    5   13 o  264.033   10.273 10713.10  827.915 10126.93  990.636 12070.88  1507.70  256.248   12.666  277.789   17.877 -21.54068 21.90920 
1 1 1   17    5   14 o  189.569   5.4683  5495.27  316.402  5452.84  332.665  5897.65  1024.46  188.814   5.7724  193.868   17.502 -5.053589 18.42905 
1 1 1   17    5   15 o  146.103   10.322  3297.23  457.336  3270.07  531.591  3374.59  897.157  145.171   12.108  145.236   20.835 -0.6434631E-01 24.09785 
1 1 1   17    5   16 o   93.215   3.6888  1327.29  104.951  1473.95  153.906  1199.81  143.488   98.051   5.1608   88.419   5.3419 9.631180 7.427633 
1 1 1   17    5   17 o  137.103   3.4879  2871.13  145.959  2838.23  205.351  2904.72  207.501  136.257   4.9377  137.844   4.9319 -1.586945 6.978858 
1 1 1   17    5   18 o  164.914   4.3064  4156.05  216.764  4155.15  319.129  4156.81  295.352  164.767   6.3457  164.835   5.8705 -0.6732178E-01 8.644684 
1 1 1   17    5   19 f  175.787   11.229  4778.56  599.341  4958.88  936.551  4653.49  779.965  177.456   17.520  172.586   14.954 4.869934 23.03428 
1 1 1   17    5   20 o  134.923   4.2120  2781.92  173.459  2275.06  236.853  3368.22  254.738  121.741   6.3966  148.383   5.6246 -26.64252 8.517788 
1 1 1   17    5   21 o  169.203   4.3004  4375.52  222.090  4412.99  336.482  4346.60  295.634  169.769   6.4936  168.547   5.7467 1.221786 8.671278 
1 1 1   17    5   22 o  116.300   4.1948  2067.12  148.906  2306.29  780.960  2058.09  151.689  118.821   22.354  116.043   4.2827 2.778000 22.76074 
1 1 1   17    5   23 o  128.713   3.7514  2531.28  147.379  2458.99  175.979  2701.08  269.693  126.826   4.5460  132.624   6.6839 -5.797485 8.083355 
1 1 1   17    5   24 o  227.366   5.8574  7912.78  406.490  7963.66  510.986  7825.07  670.829  227.902   7.3459  225.511   9.7460 2.391037 12.20436 
1 1 1   17    5   25 o  328.646   8.8754 16600.67  890.293 16503.92  982.455 17044.97  2105.37  327.424   9.8307  327.012   21.208 0.4124756 23.37555 
1 1 1   17    5   26 o  224.619   5.2333  7719.72  358.790  7621.41  378.691  8581.99  1121.53  223.147   5.5600  233.897   15.802 -10.75070 16.75203 
1 1 1   17    5   27 o  120.096   4.1732  2204.94  152.975  2235.10  221.603  2177.48  211.434  120.803   6.0101  119.250   5.8090 1.553200 8.358534 
1 1 1   17    5   28 o  110.868   3.6889  1878.54  124.831  2198.96  214.637  1714.75  153.453  119.822   5.8688  105.876   4.7485 13.94598 7.549298 
1 1 1   17    5   29 o  191.134   5.8680  5596.40  342.327   0.0000   0.0000  5596.40  342.327  ?   ?   191.134   5.8680 0.000000 5.867954 
1 1 1   17    5   30 o  158.378   5.8111  3843.23  280.910   0.0000   0.0000  3843.23  280.910  ?   ?   158.378   5.8111 0.000000 5.811054 
1 1 1   17    5   31 o  153.752   3.3653  3612.79  157.926  3433.05  277.766  3698.65  191.974  149.638   6.0816  155.519   4.0443 -5.880844 7.303602 
1 1 1   17    5   32 o  140.093   3.0092  2998.81  128.671  2957.07  190.233  3034.02  174.696  139.012   4.4835  140.842   4.0638 -1.830948 6.051148 
1 1 1   17    5   33 o   49.229   11.051  390.865  161.980  508.450  676.408  383.712  166.834   63.789   24.584   48.732   11.416 15.05774 27.10529 
1 1 1   17    5   34 o  273.005   6.2502 11444.53  520.814 10576.47  1543.62 11556.04  553.255  254.687   20.019  274.233   6.6098 -19.54593 21.08154 
1 1 1   17    5   35 o   25.262   8.4413   93.021   76.447  201.408  145.336   51.561   89.887   36.262   11.609   22.994   8.9336 13.26875 14.64867 
1 1 1   17    5   36 o  166.515   4.4625  4247.23  226.805  4260.07  231.743  3955.55  1104.48  166.754   4.5532  151.243   24.785 15.51099 25.19935 
1 1 1   17    5   37 o  154.068   4.4961  3637.34  211.428  3637.34  211.428   0.0000   0.0000  154.068   4.4961  ?   ?  0.000000 4.496063 
1 1 1   17    5   38 o  150.033   4.2232  3448.65  193.396  3467.35  201.997  3242.95  669.876  150.415   4.3999  141.239   15.810 9.175110 16.41093 
1 1 1   17    5   39 o  110.468   3.3767  1867.31  113.854  1909.83  148.824  1807.31  176.791  111.618   4.3684  108.462   5.3403 3.156548 6.899410 
1 1 1   17    5   40 o   97.140   4.0074  1445.87  118.816  1487.22  183.900  1416.24  155.669   98.061   6.1758   95.845   5.3425 2.216400 8.165921 
1 1 1   17    6    0 o   84.549   4.8052  1102.42  123.088  1102.42  123.088  1102.42  123.088   84.549   4.8052   84.549   4.8052 0.000000 0.000000 
1 1 1   17    6    1 o  140.255   4.3796  3005.69  187.488  3009.06  216.587  2995.64  374.482  140.305   5.0576  139.486   8.8417 0.8188934 10.18598 
1 1 1   17    6    2 o  246.429   6.1631  9289.80  463.562  9500.63  913.463  9216.67  537.985  248.377   12.049  245.353   7.1839 3.024673 14.02834 
1 1 1   17    6    3 o  209.767   9.3304  6752.02  597.386  7252.27  730.502  5742.06  1037.96  216.882   11.072  191.242   17.994 25.64029 21.12719 
1 1 1   17    6    4 o  218.167   5.7167  7278.77  380.671  7397.18  412.022  6588.33  994.926  219.899   6.1387  205.535   15.985 14.36456 17.12339 
1 1 1   17    6    5 o  144.374   4.8766  3185.82  214.894  3318.05  233.034  2434.33  555.538  147.326   5.1823  124.575   14.907 22.75081 15.78170 
1 1 1   17    6    6 o   74.725   4.9523  857.231  112.311  779.637  150.589  954.493  168.597   71.017   7.0400   78.641   7.1005 -7.623749 9.998937 
1 1 1   17    6    7 o  277.620   9.1898 11825.65  778.708 11803.27  1092.38 11848.77  1110.36  276.629   12.938  277.118   13.127 -0.4893799 18.43141 
1 1 1   17    6    8 o  127.604   6.7258  2499.05  261.030  2458.38  332.229  2564.67  421.960  126.322   8.6692  128.703   10.843 -2.381119 13.88218 
1 1 1   17    6    9 o  197.210   8.2141  5961.29  494.432  6122.44  725.521  5821.55  675.610  199.016   12.000  194.158   11.451 4.858429 16.58703 
1 1 1   17    6   10 o  210.210   5.8278  6758.63  373.919  6623.58  429.122  7184.60  762.096  208.020   6.7586  215.720   11.617 -7.699509 13.44029 
1 1 1   17    6   11 o  175.001   3.8003  4678.24  202.991  4678.87  217.540  4674.02  564.540  175.001   4.0727  174.031   10.680 0.9694061 11.42982 
1 1 1   17    6   12 o  241.229   5.3399  8897.57  393.166  8824.66  441.458  9177.21  864.529  240.176   6.0220  244.128   11.602 -3.952118 13.07204 
1 1 1   17    6   13 o  115.643   8.9596  2064.12  313.776  1989.83  336.451  2560.23  869.445  113.401   9.8174  125.333   23.594 -11.93252 25.55465 
1 1 1   17    6   14 o  111.993   10.719  1946.45  361.946  1946.45  361.946   0.0000   0.0000  111.993   10.719  ?   ?  0.000000 10.71945 
1 1 1   17    6   15 f  254.981   6.9452  9955.54  540.518  9955.54  540.518   0.0000   0.0000  254.981   6.9452  ?   ?  0.000000 6.945203 
1 1 1   17    6   16 f  192.344   18.870  5839.94  1093.56  5839.94  1093.56   0.0000   0.0000  192.344   18.870  ?   ?  0.000000 18.87025 
1 1 1   17    6   17 o  120.494   3.9201  2218.21  144.170  2369.79  224.426  2111.71  188.119  124.455   5.9081  117.514   5.2448 6.940643 7.900187 
1 1 1   17    6   18 o  172.180   4.3839  4530.76  230.389  4703.35  344.776  4391.52  309.682  175.283   6.4444  169.408   5.9891 5.874573 8.797701 
1 1 1   17    6   19 o   60.338   5.7157  561.958  104.009   0.0000   0.0000  561.958  104.009  ?   ?    60.338   5.7157 0.000000 5.715748 
1 1 1   17    6   20 o  301.350   8.4117 13935.99  773.701 13674.47  850.018 15199.33  1868.26  298.318   9.3354  310.255   19.833 -11.93671 21.91979 
1 1 1   17    6   21 o  165.221   5.4625  4176.05  275.471  4201.89  299.283  4032.81  704.717  165.697   5.9177  160.567   14.537 5.129776 15.69539 
1 1 1   17    6   22 o  216.724   9.8226  7225.99  649.760  7484.25  834.901  6829.32  1034.72  219.677   12.504  208.610   16.382 11.06636 20.60876 
1 1 1   17    6   23 o   94.679   6.9146  1380.94  198.437  1380.94  198.437   0.0000   0.0000   94.679   6.9146  ?   ?  0.000000 6.914572 
1 1 1   17    6   24 o  343.682   9.1257 18161.62  957.288 18161.62  957.288   0.0000   0.0000  343.682   9.1257  ?   ?  0.000000 9.125745 
1 1 1   17    6   25 o   58.142   9.2904  532.758  159.321  532.758  159.321   0.0000   0.0000   58.142   9.2904  ?   ?  0.000000 9.290404 
1 1 1   17    6   26 o  105.731   4.5616  1709.56  147.210  1711.59  149.307  1638.97  881.558  105.791   4.6239   98.408   28.008 7.382706 28.38743 
1 1 1   17    6   27 o  138.573   4.4443  2936.53  187.977  2884.09  249.447  3005.45  285.958  137.219   5.9559  140.009   6.6916 -2.790054 8.958225 
1 1 1   17    6   28 o   98.785   6.0433  1500.72  181.336  1504.54  202.759  1485.47  405.330   98.816   6.7633   96.654   14.159 2.161446 15.69166 
1 1 1   17    6   29 o  214.699   4.9106  7054.37  321.797   0.0000   0.0000  7054.37  321.797  ?   ?   214.699   4.9106 0.000000 4.910596 
1 1 1   17    6   30 o  113.832   4.0177  1981.43  139.593  2323.03  229.122  1779.78  176.036  123.095   6.0983  107.802   5.3501 15.29364 8.112506 
1 1 1   17    6   31 o  115.935   3.1259  2053.89  110.614  2133.12  163.140  1986.47  150.489  118.067   4.5271  113.949   4.3269 4.117447 6.262290 
1 1 1   17    6   32 o  174.719   4.3067  4670.98  229.668  4951.71  345.451  4448.60  307.458  179.624   6.3009  170.311   5.9146 9.312851 8.642029 
1 1 1   17    6   33 o   17.413   8.1792 -116.0047  110.671 -98.5889  142.575 -142.4058  175.543   21.237   9.7317   22.936   10.614 -1.699482 14.39983 
1 1 1   17    6   34 o  197.357   3.7601  5958.21  226.500  5777.06  406.250  6039.92  272.843  193.800   6.8679  198.604   4.5010 -4.803635 8.211358 
1 1 1   17    6   35 o  120.410   3.7586  2218.32  138.136  2229.82  226.035  2211.47  174.517  120.305   6.1765  120.131   4.7595 0.1742172 7.797557 
1 1 1   17    6   36 o   49.908   11.052  403.836  163.919  373.289  458.402  408.315  175.524   53.599   20.339   50.089   11.693 3.509129 23.46073 
1 1 1   17    6   37 o   71.031   5.9781  781.180  128.401  913.949  165.072  577.782  204.314   76.653   7.1375   59.728   11.626 16.92442 13.64178 
1 1 1   17    6   38 o   24.289   9.8639   39.259  114.310   90.100  421.489   35.222  118.761   43.825   18.465   24.451   10.006 19.37313 21.00180 
1 1 1   17    6   39 o  162.350   2.9129  4030.78  144.341  4273.96  216.183  3835.16  193.890  166.982   4.2417  158.214   4.0151 8.767975 5.840579 
1 1 1   17    7    0 f  137.948   9.8328  2958.88  409.174  2958.88  409.174  2958.88  409.174  137.948   9.8328  137.948   9.8328 0.000000 0.000000 
1 1 1   17    7    1 o  228.889   4.5757  8006.09  319.667  7883.72  348.424  8656.96  803.560  227.101   5.0266  237.234   11.097 -10.13274 12.18279 
1 1 1   17    7    2 o  159.182   7.6264  3881.48  370.537  3759.35  431.136  4226.64  724.793  156.277   9.0778  164.681   14.570 -8.403839 17.16656 
1 1 1   17    7    3 o  202.038   4.1503  6236.41  255.934  6163.37  273.017  6765.85  735.063  200.834   4.4538  209.347   11.548 -8.512238 12.37756 
1 1 1   17    7    4 o  207.001   5.2092  6550.80  329.125  6473.98  375.483  6805.56  683.782  205.727   5.9797  210.130   10.697 -4.403580 12.25468 
1 1 1   17    7    5 o  115.048   5.3281  2023.68  187.098  2020.95  203.150  2038.90  480.238  114.803   5.8165  114.021   14.100 0.7827148 15.25239 
1 1 1   17    7    6 o  133.269   4.5619  2714.15  185.563  2718.56  199.101  2684.96  511.969  133.363   4.8912  131.309   12.942 2.054276 13.83584 
1 1 1   17    7    7 o   93.025   4.3736  1322.31  124.181  1430.62  290.790  1298.16  137.334   95.985   10.076   92.026   4.9070 3.958382 11.20734 
1 1 1   17    7    8 o   50.695   5.3160  397.239   81.032  332.509  413.091  399.829   82.638   52.184   19.411   50.850   5.4073 1.333401 20.15027 
1 1 1   17    7    9 o   54.624   4.7560  459.501   78.503  530.302  169.316  440.113   88.602   57.958   9.9284   53.364   5.5195 4.594109 11.35949 
1 1 1   17    7   10 o  146.269   3.2928  3267.44  147.005  3207.80  185.247  3368.87  241.592  144.895   4.1887  148.434   5.3325 -3.538864 6.780926 
1 1 1   17    7   11 o  302.612   5.2586 14001.54  485.707 14200.56  663.123 13771.20  713.417  304.514   7.1346  299.775   7.7971 4.739563 10.56867 
1 1 1   17    7   12 o   64.403   4.5951  637.122   89.734  601.050  189.398  647.563  101.896   61.695   10.430   64.873   5.1895 -3.177677 11.64940 
1 1 1   17    7   13 f  266.343   5.2118 10846.63  423.688 10180.47  574.345 11641.94  627.556  257.800   7.2992  275.661   7.4586 -17.86148 10.43595 
1 1 1   17    7   14 o  246.806   6.4998  9324.00  489.639  9324.00  489.639   0.0000   0.0000  246.806   6.4998  ?   ?  0.000000 6.499842 
1 1 1   17    7   15 o  295.840   7.3055 13408.35  659.669 13408.35  659.669   0.0000   0.0000  295.840   7.3055  ?   ?  0.000000 7.305542 
1 1 1   17    7   16 f  182.348   20.281  5286.46  1109.67  5286.46  1109.67   0.0000   0.0000  182.348   20.281  ?   ?  0.000000 20.28145 
1 1 1   17    7   19 f  285.861   8.4479 12541.69  737.089   0.0000   0.0000 12541.69  737.089  ?   ?   285.861   8.4479 0.000000 8.447891 
1 1 1   17    7   20 o  341.344   5.7008 17828.99  593.940 17347.28  729.553 18775.76  1022.79  336.454   7.1042  349.442   9.5895 -12.98758 11.93432 
1 1 1   17    7   21 o  120.226   5.1460  2210.85  188.838  2480.28  732.779  2191.68  195.439  123.979   20.049  119.693   5.3496 4.285568 20.75037 
1 1 1   17    7   22 f   24.505   8.1619   87.005   71.481  138.641  139.402   68.584   83.260   32.131   11.372   23.756   8.7374 8.374422 14.34065 
1 1 1   17    7   23 o   90.135   4.5555  1245.36  124.921  1280.62  130.025  822.544  450.301   91.394   4.6768   71.097   19.942 20.29768 20.48318 
1 1 1   17    7   24 o   49.545   9.0795  389.189  132.242  416.486  153.510  310.641  260.405   51.106   10.199   46.090   15.579 5.015991 18.61999 
1 1 1   17    7   25 o   86.485   10.495  1170.25  271.351  1528.20  474.571  996.384  330.752   97.515   16.535   78.864   14.266 18.65058 21.83866 
1 1 1   17    7   26 f  103.541   3.9449  1638.74  124.671  1520.85  143.161  2008.71  253.620   99.713   4.7039  114.180   7.3159 -14.46655 8.697643 
1 1 1   17    7   27 f   97.732   4.0204  1460.23  119.927  1388.51  193.927  1504.65  152.608   94.915   6.7378   99.027   5.0660 -4.112183 8.429839 
1 1 1   17    7   28 o  163.925   3.7546  4107.54  187.858  3977.26  325.524  4172.59  230.028  161.028   6.6232  165.154   4.5633 -4.125641 8.042980 
1 1 1   17    7   29 o  245.682   7.2807  9271.46  545.966  9232.58  585.677  9529.36  1508.38  245.042   7.8307  242.945   20.534 2.096527 21.97634 
1 1 1   17    7   30 o  178.972   4.5604  4901.61  249.120  5657.03  1006.52  4852.31  257.121  187.958   17.755  178.051   4.7312 9.906815 18.37444 
1 1 1   17    7   31 o   80.733   6.7228  1007.80  164.154   0.0000   0.0000  1007.80  164.154  ?   ?    80.733   6.7228 0.000000 6.722781 
1 1 1   17    7   32 f  103.554   5.7869  1649.88  182.176  1650.30  202.924  1648.13  413.569  103.465   6.4580  101.657   13.676 1.807373 15.12395 
1 1 1   17    7   33 o  182.910   4.4876  5122.68  250.538  5307.90  365.704  4958.87  343.925  185.861   6.4465  179.679   6.2712 6.181854 8.993614 
1 1 1   17    7   34 o   79.033   3.7393  955.628   90.202  894.304  127.351  1017.36  127.779   76.148   5.5167   81.291   5.1768 -5.143402 7.565313 
1 1 1   17    7   35 o   32.258   6.9556  166.368   66.470  248.680  139.630  142.248   75.583   39.364   11.127   29.851   8.0926 9.513506 13.75873 
1 1 1   17    7   36 f   34.685   8.4006  193.639   87.991  153.210  105.226  287.635  160.447   31.479   9.8543   42.209   11.927 -10.72990 15.47097 
1 1 1   17    7   37 o  138.457   4.9344  2941.58  208.530  3048.58  235.071  2546.37  451.767  140.866   5.4673  126.707   11.818 14.15892 13.02122 
1 1 1   17    7   38 o   85.863   4.1693  1129.81  109.267  1176.12  125.604  985.714  221.557   87.428   4.7245   79.024   9.3681 8.404434 10.49196 
1 1 1   17    7   39 o  107.374   3.3334  1764.47  109.245  2219.63  497.834  1741.44  111.974  116.881   14.250  106.661   3.4395 10.22031 14.65897 
1 1 1   17    8    0 o  134.029   8.8565  2785.66  358.678  2785.66  358.678  2785.66  358.678  134.029   8.8565  134.029   8.8565 0.000000 0.000000 
1 1 1   17    8    1 o  159.314   3.6169  3876.79  175.877  4026.19  248.409  3726.61  249.047  162.290   5.0149  156.124   5.2263 6.165680 7.243138 
1 1 1   17    8    2 o  308.625   6.1458 14572.61  578.929 14970.92  620.712 11909.30  1605.05  312.768   6.5021  275.373   19.217 37.39499 20.28706 
1 1 1   17    8    3 o  513.917   11.406 40655.41  1789.14 40687.54  1917.61 40439.45  4971.68  513.791   12.228  496.215   33.014 17.57581 35.20609 
1 1 1   17    8    4 o  252.540   5.3447  9751.60  411.977 11128.88  549.344  7981.43  622.790  269.642   6.6748  228.081   8.9461 41.56062 11.16185 
1 1 1   17    8    5 f  359.575   7.6287 19808.81  837.257 20203.38  898.790 17219.57  2302.40  363.046   8.1111  329.365   23.048 33.68097 24.43354 
1 1 1   17    8    6 o  177.660   5.3283  4826.14  288.933  5982.55  638.896  4528.82  323.953  196.956   10.668  172.045   6.1691 24.91077 12.32297 
1 1 1   17    8    7 o  238.211   6.4221  8684.12  466.937  9415.87  906.163  8419.58  544.841  247.183   12.011  234.422   7.6147 12.76111 14.22121 
1 1 1   17    8    8 o  182.548   5.2122  5095.06  290.412  4776.77  653.938  5173.26  324.128  175.598   12.278  183.905   5.7744 -8.306747 13.56846 
1 1 1   17    8    9 o  285.154   5.1843 12432.36  451.220 12171.71  487.555 13988.15  1191.16  282.099   5.6625  301.007   12.965 -18.90854 14.14767 
1 1 1   17    8   10 o  314.045   11.460 15189.33  1098.47 15014.49  1346.25 15537.63  1900.08  311.487   14.160  314.175   19.918 -2.687866 24.43807 
1 1 1   17    8   11 o   88.147   7.5904  1199.33  202.226  1215.17  241.499  1162.15  369.955   88.521   9.0661   85.455   14.715 3.065887 17.28349 
1 1 1   17    8   12 o  332.290   6.2278 16897.73  631.635 16681.62  829.054 17196.74  975.160  329.815   8.2356  334.590   9.5487 -4.774628 12.60965 
1 1 1   17    8   13 o  220.205   5.2601  7415.08  353.537  7237.15  610.724  7504.76  433.568  217.095   9.2168  221.424   6.4153 -4.329056 11.22964 
1 1 1   17    8   14 o  163.207   4.4202  4070.92  220.189  4070.92  220.189   0.0000   0.0000  163.207   4.4202  ?   ?  0.000000 4.420196 
1 1 1   17    8   15 o  183.701   6.3779  5165.91  357.607  5165.91  357.607   0.0000   0.0000  183.701   6.3779  ?   ?  0.000000 6.377880 
1 1 1   17    8   16 o  205.534   4.7494  6458.22  297.949  6263.06  425.773  6645.50  417.088  202.210   6.8986  208.329   6.5594 -6.118927 9.519226 
1 1 1   17    8   19 o   35.824   13.077  161.774  185.993  161.774  185.993   0.0000   0.0000   35.824   13.077  ?   ?  0.000000 13.07661 
1 1 1   17    8   21 o  492.524   9.1181 37295.00  1370.72 39099.84  1857.05 35134.75  2031.68  502.895   12.098  475.680   13.993 27.21484 18.49832 
1 1 1   17    8   22 o   17.523   7.1637   16.263   60.800 -32.9337  102.159   43.246   75.658   19.613   8.6704   21.162   8.2033 -1.548702 11.93604 
1 1 1   17    8   23 o   58.861   4.6687  533.155   83.188  670.186  147.475  469.206  100.746   65.672   7.4914   55.015   6.1024 10.65635 9.662349 
1 1 1   17    8   24 o  110.772   3.8696  1875.42  130.832  2116.57  202.983  1704.04  171.119  117.578   5.6561  105.384   5.3374 12.19436 7.776820 
1 1 1   17    8   25 o  109.055   6.3580  1828.83  210.715  1828.83  210.715   0.0000   0.0000  109.055   6.3580  ?   ?  0.000000 6.358001 
1 1 1   17    8   26 o  449.026   30.260 33984.14  4122.98 33984.14  4122.98   0.0000   0.0000  449.026   30.260  ?   ?  0.000000 30.25953 
1 1 1   17    8   27 o   85.110   3.4270  1107.00   89.024  1246.43  128.843  979.616  123.149   90.136   4.6995   79.839   5.0800 10.29705 6.920391 
1 1 1   17    8   28 o  179.329   4.9731  4922.82  272.204  5243.15  399.216  4644.50  372.119  184.783   7.0783  173.925   7.0098 10.85835 9.961884 
1 1 1   17    8   29 o  259.866   7.0521 10373.30  559.349 10494.30  618.682  9831.67  1308.95  261.198   7.7603  248.396   17.374 12.80135 19.02849 
1 1 1   17    8   30 o  128.235   6.2401  2523.34  244.241   0.0000   0.0000  2523.34  244.241  ?   ?   128.235   6.2401 0.000000 6.240137 
1 1 1   17    8   31 o  118.637   9.1619  2187.71  329.188  2869.99  683.966  1982.02  375.546  133.221   17.224  112.404   11.091 20.81721 20.48586 
1 1 1   17    8   32 o  126.585   5.1600  2456.08  199.364  3077.39  712.066  2403.23  207.670  137.740   17.320  125.186   5.4350 12.55374 18.15306 
1 1 1   17    8   33 o  109.870   3.8754  1847.14  129.961  2104.82  206.589  1678.37  167.187  117.093   5.7804  104.484   5.2593 12.60943 7.814964 
1 1 1   17    8   34 o   73.798   4.2529  836.766   95.389  1091.93  172.939  725.193  114.358   83.946   6.8082   68.517   5.5150 15.42924 8.761715 
1 1 1   17    8   35 o  131.277   3.2902  2635.95  131.834  2816.29  169.938  2363.37  208.926  135.609   4.1057  124.054   5.5178 11.55576 6.877689 
1 1 1   17    8   36 o  141.073   5.7436  3059.46  247.313  3059.46  247.313   0.0000   0.0000  141.073   5.7436  ?   ?  0.000000 5.743608 
1 1 1   17    8   37 o   53.994   5.8208  453.568   94.412  422.898  107.201  559.591  199.318   51.901   6.9410   58.692   11.538 -6.791138 13.46453 
1 1 1   17    8   38 o  139.045   4.7618  2967.46  202.091  2974.81  240.553  2949.84  372.574  139.052   5.6678  137.376   8.9341 1.676590 10.58032 
1 1 1   17    9    0 o   35.456   16.886  284.409  208.823  284.409  208.823  284.409  208.823   35.456   16.886   35.456   16.886 0.000000 0.000000 
1 1 1   17    9    1 o   93.956   4.0054  1348.71  114.866  1364.52  126.472  1274.24  274.493   94.495   4.3850   90.507   10.109 3.988251 11.01925 
1 1 1   17    9    2 o   85.106   4.4109  1109.82  114.185  1054.57  118.741  1788.76  416.226   82.930   4.7105  106.876   13.029 -23.94520 13.85454 
1 1 1   17    9    3 o  266.676   5.0533 10872.34  411.319 10775.10  443.425 11471.83  1101.01  265.440   5.4731  272.522   13.236 -7.081604 14.32339 
1 1 1   17    9    4 o  256.862   4.1302 10081.00  323.806  9724.42  402.885 10731.61  544.203  252.188   5.2341  264.761   6.7343 -12.57309 8.529105 
1 1 1   17    9    5 o  147.685   6.9970  3339.98  315.401  3082.94  405.642  3732.94  501.560  141.379   9.4548  155.429   10.636 -14.05009 14.23111 
1 1 1   17    9    6 o  114.264   3.7202  1994.47  129.747  2230.90  221.906  1871.66  159.934  120.752   6.0209  110.657   4.7353 10.09525 7.659884 
1 1 1   17    9    7 o  314.106   7.6559 15119.66  733.986 18352.39  2112.74 14675.93  782.740  341.234   20.378  309.352   8.2899 31.88159 21.99982 
1 1 1   17    9    8 o  238.996   7.3873  8751.06  538.880  8326.69  592.086 10798.98  1300.67  233.007   8.3253  263.051   16.280 -30.04402 18.28512 
1 1 1   17    9    9 o   31.468   6.2498  156.877   57.911  148.752  134.265  158.734   64.188   32.555   11.184   31.591   6.8541 0.9641209 13.11729 
1 1 1   17    9   10 o  352.233   6.2924 18989.13  676.495 18572.96  887.875 19565.12  1044.52  347.967   8.3598  356.854   9.5898 -8.886322 12.72203 
1 1 1   17    9   11 o  118.130   3.6603  2131.76  131.975  2103.13  139.377  2380.03  410.424  117.326   3.8921  123.857   10.970 -6.530434 11.64013 
1 1 1   17    9   12 o  341.911   7.3497 17913.38  767.004 17787.67  822.567 18750.74  2122.93  340.599   7.9124  344.684   20.268 -4.084595 21.75782 
1 1 1   17    9   13 o   26.540   9.1681   97.661   90.284  113.444   96.254 -17.8574  260.402   28.128   9.4716   33.127   14.253 -4.998737 17.11311 
1 1 1   17    9   14 o  166.117   15.518  4325.54  777.696  4325.54  777.696   0.0000   0.0000  166.117   15.518  ?   ?  0.000000 15.51810 
1 1 1   17    9   15 o  159.665   15.617  4001.61  751.326  4001.61  751.326   0.0000   0.0000  159.665   15.617  ?   ?  0.000000 15.61701 
1 1 1   17    9   16 o  535.558   10.370 44156.87  1695.12 44739.20  2399.14 43576.35  2395.40  536.760   14.644  529.630   14.818 7.130615 20.83307 
1 1 1   17    9   17 o  287.762   7.8505 12702.55  689.526 13964.60  1875.31 12505.26  741.466  296.492   20.855  285.390   8.5121 11.10168 22.52554 
1 1 1   17    9   18 o  195.058   4.6744  5817.41  278.295  6197.45  423.096  5527.60  369.469  201.107   6.8928  189.984   6.3715 11.12270 9.386534 
1 1 1   17    9   19 o  143.930   6.8785  3174.74  302.176  3174.74  302.176   0.0000   0.0000  143.930   6.8785  ?   ?  0.000000 6.878464 
1 1 1   17    9   20 o   43.405   13.443  291.534  196.417  291.534  196.417   0.0000   0.0000   43.405   13.443  ?   ?  0.000000 13.44310 
1 1 1   17    9   21 o  167.720   20.480  4520.91  1026.61  4520.91  1026.61   0.0000   0.0000  167.720   20.480  ?   ?  0.000000 20.47960 
1 1 1   17    9   22 o   38.315   12.542  219.037  169.055  219.037  169.055   0.0000   0.0000   38.315   12.542  ?   ?  0.000000 12.54179 
1 1 1   17    9   23 o   62.323   5.6260  599.486  105.865  588.764  111.151  704.234  347.413   61.713   5.9757   65.740   17.138 -4.026455 18.15026 
1 1 1   17    9   24 o   76.017   6.1645  891.232  141.798  884.260  152.974  933.786  377.926   75.646   6.6946   75.677   16.800 -0.3115845E-01 18.08452 
1 1 1   17    9   25 o  246.826   18.612  9708.07  1391.82  9708.07  1391.82   0.0000   0.0000  246.826   18.612  ?   ?  0.000000 18.61154 
1 1 1   17    9   26 o  154.607   5.9056  3663.02  278.684  3663.02  278.684   0.0000   0.0000  154.607   5.9056  ?   ?  0.000000 5.905641 
1 1 1   17    9   27 f  330.036   8.2740 16766.11  833.475 16731.53  903.584 16963.38  2158.09  329.444   8.9861  323.084   22.016 6.359589 23.77905 
1 1 1   17    9   28 o   80.464   3.4899  989.687   85.710  1105.13  120.273  870.569  122.174   84.846   4.6622   75.195   5.3582 9.650795 7.102553 
1 1 1   17    9   29 o   89.570   5.0433  1232.68  137.318   0.0000   0.0000  1232.68  137.318  ?   ?    89.570   5.0433 0.000000 5.043322 
1 1 1   17    9   30 o  128.382   4.9660  2524.84  194.593   0.0000   0.0000  2524.84  194.593  ?   ?   128.382   4.9660 0.000000 4.966008 
1 1 1   17    9   31 o  165.575   6.2204  4210.65  314.362  3996.49  348.062  5158.72  732.328  161.158   7.0760  180.750   13.369 -19.59172 15.12622 
1 1 1   17    9   32 o  165.500   3.9929  4191.95  201.697  4203.89  299.648  4182.06  272.734  165.452   5.9337  165.108   5.4120 0.3434906 8.031049 
1 1 1   17    9   33 o  144.909   3.3560  3211.58  148.436  3280.70  188.592  3099.06  240.635  146.368   4.2214  142.081   5.5489 4.286301 6.972121 
1 1 1   17    9   34 o  177.718   4.2505  4838.06  230.564  5056.57  326.327  4620.25  325.808  181.374   5.8947  173.316   6.1589 8.058517 8.525243 
1 1 1   17    9   35 o  150.079   3.9771  3449.45  182.182  3724.43  265.100  3203.37  250.783  155.682   5.5790  144.362   5.6915 11.32066 7.969839 
1 1 1   17    9   36 o   84.506   5.8318  1103.72  149.501  1076.61  174.247  1179.36  291.038   83.242   6.9209   85.922   11.377 -2.679596 13.31710 
1 1 1   17    9   37 o   81.055   9.7898  1040.60  237.293  976.746  437.580  1067.20  282.427   75.237   19.039   81.489   11.690 -6.251785 22.34146 
1 1 1   17   10    0 o   23.043   8.0313  106.119   51.070  106.119   51.070  106.119   51.070   23.043   8.0313   23.043   8.0313 0.000000 0.000000 
1 1 1   17   10    1 o   85.773   3.8285  1123.95  100.229  1120.45  112.224  1137.75  222.813   85.518   4.3133   85.685   8.6375 -0.1663666 9.654557 
1 1 1   17   10    2 o  212.359   3.2925  6887.65  213.410  6638.53  293.496  7167.14  310.868  208.404   4.6140  216.536   4.7036 -8.131943 6.588838 
1 1 1   17   10    3 o  189.308   4.3330  5476.70  250.363  5044.26  335.568  6019.63  376.005  181.562   6.0553  198.327   6.2115 -16.76469 8.674649 
1 1 1   17   10    4 o   89.285   3.3208  1217.58   90.498  1116.77  141.859  1286.76  117.517   85.275   5.4793   91.765   4.1958 -6.489601 6.901227 
1 1 1   17   10    5 o  218.985   4.7663  7330.65  318.576  7136.43  434.017  7557.54  469.095  215.901   6.5862  222.143   6.9185 -6.242050 9.552155 
1 1 1   17   10    6 o  107.156   3.5170  1753.95  115.028  1307.87  306.624  1827.01  124.091   91.483   11.216  109.359   3.7176 -17.87597 11.81619 
1 1 1   17   10    7 o  117.797   6.4212  2130.43  229.999  1996.11  291.751  2350.96  373.835  113.753   8.4636  123.255   10.024 -9.502579 13.11907 
1 1 1   17   10    8 o  148.956   4.0382  3390.31  183.597  3173.52  300.509  3519.43  231.911  143.950   6.8396  151.716   5.0081 -7.766129 8.477098 
1 1 1   17   10    9 o  266.393   5.8167 10858.12  472.953 11259.43  848.877 10677.47  569.541  270.531   10.280  264.005   7.0680 6.525604 12.47570 
1 1 1   17   10   10 o   98.441   4.2882  1481.01  128.845  1486.78  137.849  1441.13  362.446   98.623   4.5794   95.772   12.713 2.850418 13.51282 
1 1 1   17   10   11 o  112.844   3.9300  1945.66  135.360  1720.35  276.735  2016.53  155.192  105.512   8.6697  114.861   4.4267 -9.349190 9.734407 
1 1 1   17   10   12 o   79.992   3.6096  977.523   88.129  924.579  137.787  1014.18  114.646   77.509   5.8677   81.318   4.6383 -3.809105 7.479555 
1 1 1   17   10   13 o  151.696   15.181  3611.18  693.464  3611.18  693.464   0.0000   0.0000  151.696   15.181  ?   ?  0.000000 15.18110 
1 1 1   17   10   14 o  101.969   17.287  1667.66  518.799  1667.66  518.799   0.0000   0.0000  101.969   17.287  ?   ?  0.000000 17.28666 
1 1 1   17   10   15 o  233.352   4.9936  8327.75  355.667  8002.02  490.446  8689.08  516.547  228.505   7.0320  238.102   7.1077 -9.597015 9.998415 
1 1 1   17   10   16 o   50.583   4.9054  394.948   74.782  437.368  182.182  386.352   82.010   52.212   11.719   49.954   5.4680 2.257683 12.93229 
1 1 1   17   10   17 o  159.595   5.6745  3898.29  276.417   0.0000   0.0000  3898.29  276.417  ?   ?   159.595   5.6745 0.000000 5.674502 
1 1 1   17   10   18 o  142.053   11.195  3133.68  481.474  3915.86  974.719  2881.23  553.747  155.814   21.033  135.618   13.559 20.19603 25.02461 
1 1 1   17   10   19 o  142.274   5.2502  3097.23  227.992  3040.30  247.542  3415.51  585.335  140.923   5.7550  147.847   13.107 -6.923920 14.31474 
1 1 1   17   10   20 o   44.360   11.488  315.522  156.776  290.450  184.985  379.444  295.368   43.079   12.990   50.221   16.585 -7.142265 21.06607 
1 1 1   17   10   21 o  273.084   8.5010 11464.96  708.573 11464.96  708.573   0.0000   0.0000  273.084   8.5010  ?   ?  0.000000 8.501018 
1 1 1   17   10   22 o  329.343   23.653 17610.05  2361.82 17610.05  2361.82   0.0000   0.0000  329.343   23.653  ?   ?  0.000000 23.65287 
1 1 1   17   10   24 o  179.984   6.7673  4970.10  371.765  4970.10  371.765   0.0000   0.0000  179.984   6.7673  ?   ?  0.000000 6.767323 
1 1 1   17   10   25 o   48.564   14.640  373.240  234.988  290.134  422.984  410.340  282.612   50.582   19.455   51.248   16.166 -0.6654968 25.29503 
1 1 1   17   10   26 o  145.026   4.8983  3219.80  216.826  3505.50  241.257  2019.57  494.488  151.292   5.2245  112.588   14.744 38.70329 15.64209 
1 1 1   17   10   27 o  319.757   6.0728 15682.80  592.687 16197.37  847.704 15190.71  828.980  324.151   8.5680  313.886   8.6528 10.26566 12.17708 
1 1 1   17   10   28 o  119.073   5.1328  2172.13  186.545   0.0000   0.0000  2172.13  186.545  ?   ?   119.073   5.1328 0.000000 5.132792 
1 1 1   17   10   29 o  161.442   5.1250  3994.03  252.538   0.0000   0.0000  3994.03  252.538  ?   ?   161.442   5.1250 0.000000 5.124994 
1 1 1   17   10   30 o  192.739   3.5383  5681.30  208.151  5815.47  270.173  5485.34  326.504  194.868   4.5424  189.075   5.6577 5.793335 7.255502 
1 1 1   17   10   31 o  136.923   3.4562  2867.36  144.439  2976.59  224.300  2789.97  188.794  139.305   5.2753  134.951   4.5835 4.354279 6.988319 
1 1 1   17   10   32 o  143.479   3.1953  3147.99  139.933  3262.56  185.304  2995.96  213.461  145.966   4.1593  139.770   5.0037 6.196274 6.506629 
1 1 1   17   10   33 o  153.799   3.8501  3621.15  180.737  3420.63  271.384  3780.97  242.286  149.157   5.9611  156.980   5.0567 -7.823013 7.816934 
1 1 1   17   10   34 f  126.021   3.1085  2428.93  119.565  2594.04  161.195  2226.98  178.274  130.135   4.0583  120.481   4.8479 9.652931 6.322301 
1 1 1   17   10   35 f   24.887   9.1578   77.349   91.481   77.349   91.481   0.0000   0.0000   24.887   9.1578  ?   ?  0.000000 9.157758 
1 1 1   17   10   36 o  132.179   5.8455  2689.52  235.830  2689.52  235.830   0.0000   0.0000  132.179   5.8455  ?   ?  0.000000 5.845454 
1 1 1   17   11    0 o   42.182   13.461  344.797  152.696  344.797  152.696  344.797  152.696   42.182   13.461   42.182   13.461 0.000000 0.000000 
1 1 1   17   11    1 o  158.699   4.1385  3848.65  200.464  3999.56  289.172  3709.03  278.147  161.673   5.8601  155.691   5.8532 5.982315 8.282533 
1 1 1   17   11    2 o  115.433   5.6091  2038.47  197.625  2012.60  217.263  2162.50  475.680  114.497   6.2405  117.471   13.513 -2.974426 14.88436 
1 1 1   17   11    3 o   37.415   7.6214  222.357   84.079  204.502   86.668  507.911  346.591   35.810   8.1169   57.150   17.883 -21.34062 19.63918 
1 1 1   17   11    4 o  219.180   3.8704  7339.98  258.924  7122.03  324.090  7724.57  430.515  215.824   4.9198  224.635   6.2790 -8.811340 7.976910 
1 1 1   17   11    5 o  139.064   8.1171  2976.51  343.039  2827.05  438.737  3211.59  550.243  135.082   10.730  143.625   12.682 -8.543091 16.61197 
1 1 1   17   11    6 o  147.956   4.4513  3346.03  201.018  3069.05  466.625  3409.15  222.746  140.732   10.949  149.321   4.8873 -8.588669 11.99064 
1 1 1   17   11    7 o   89.056   10.433  1237.09  278.213  1110.52  1094.41  1245.83  287.663   87.547   31.756   89.312   10.770 -1.764816 33.53284 
1 1 1   17   11    8 o  241.068   6.3359  8897.51  466.194  8820.68  548.904  9096.39  883.141  239.870   7.4973  242.755   11.919 -2.885071 14.08101 
1 1 1   17   11    9 o  268.324   5.5987 11015.77  458.522 10418.33  621.011 11731.83  679.877  260.632   7.8065  276.530   8.0551 -15.89786 11.21719 
1 1 1   17   11   10 o   66.465   4.0190  677.540   81.148  639.574  186.243  686.437   90.155   63.746   9.8928   66.865   4.4428 -3.119171 10.84462 
1 1 1   17   11   11 o  111.827   5.0855  1912.62  173.580  1850.70  189.372  2238.07  434.182  109.828   5.6685  119.792   12.038 -9.963066 13.30562 
1 1 1   17   11   12 o  152.714   5.1040  3567.07  237.905  3144.96  674.846  3626.98  254.227  141.189   15.939  153.970   5.4096 -12.78026 16.83178 
1 1 1   17   11   13 o  130.785   6.8700  2628.28  273.281  2628.28  273.281   0.0000   0.0000  130.785   6.8700  ?   ?  0.000000 6.870014 
1 1 1   17   11   14 o   75.541   4.8597  876.301  111.455  876.301  111.455   0.0000   0.0000   75.541   4.8597  ?   ?  0.000000 4.859719 
1 1 1   17   11   15 o   94.518   3.9090  1365.27  112.769  1313.36  196.472  1390.77  137.712   92.296   7.0271   95.365   4.7311 -3.069641 8.471355 
1 1 1   17   11   16 o   93.217   4.5159  1328.65  128.486  1315.08  422.420  1330.03  134.877   90.531   15.866   93.135   4.7606 -2.603661 16.56439 
1 1 1   17   11   17 o  172.404   11.196  4609.56  585.944  4898.46  1025.28  4469.44  714.039  175.004   19.527  169.004   13.967 6.000153 24.00857 
1 1 1   17   11   18 o   68.044   8.0063  720.714  163.100  803.730  196.133  534.614  293.659   71.702   9.1721   57.603   16.086 14.09959 18.51691 
1 1 1   17   11   19 o   85.897   4.0070  1127.88  105.055  1148.20  199.374  1120.06  123.606   86.145   7.6627   85.438   4.7588 0.7063065 9.020171 
1 1 1   17   11   20 o  193.341   5.6491  5724.18  333.366  5981.15  744.079  5659.64  372.884  195.961   12.506  192.161   6.3576 3.800171 14.02881 
1 1 1   17   11   21 o   17.163   7.0173   15.664   58.345 -90.6355  497.836   17.145   58.750   43.962   19.298   17.326   7.0579 26.63595 20.54817 
1 1 1   17   11   22 o  113.080   3.8054  1954.73  131.342  1884.29  201.879  2006.43  172.950  110.726   5.9958  114.499   4.9488 -3.773109 7.774326 
1 1 1   17   11   23 o   83.921   16.728  1147.14  413.431  276.793  876.888  1395.90  468.807   64.577   26.880   92.642   17.213 -28.06509 31.91923 
1 1 1   17   11   24 o  107.958   27.702  2022.69  917.357  2022.69  917.357   0.0000   0.0000  107.958   27.702  ?   ?  0.000000 27.70217 
1 1 1   17   11   25 o  123.189   7.1235  2339.44  266.701  2339.44  266.701   0.0000   0.0000  123.189   7.1235  ?   ?  0.000000 7.123496 
1 1 1   17   11   27 o  183.419   10.796  5242.65  601.718  5599.71  930.242  4985.77  789.008  187.092   16.458  177.292   14.714 9.799545 22.07573 
1 1 1   17   11   28 o  149.212   13.619  3526.74  613.407   0.0000   0.0000  3526.74  613.407  ?   ?   149.212   13.619 0.000000 13.61888 
1 1 1   17   11   29 o   94.305   12.109  1412.94  340.501  1601.19  736.446  1361.75  384.012   95.576   24.970   91.911   14.142 3.664886 28.69661 
1 1 1   17   11   30 o  150.863   4.0195  3483.95  185.087  3596.38  270.334  3384.75  253.939  153.030   5.7877  148.488   5.6030 4.541611 8.055509 
1 1 1   17   11   31 o  178.316   4.2141  4869.89  229.359  5274.15  327.293  4479.80  321.510  185.277   5.7876  170.677   6.1717 14.60002 8.460820 
1 1 1   17   11   32 o   87.039   4.7486  1165.17  125.676  1505.84  445.998  1135.79  130.984   95.726   15.817   85.892   5.0181 9.834038 16.59397 
1 1 1   17   11   33 f   87.184   3.8418  1163.95  102.231  1350.72  173.182  1064.05  126.653   93.485   6.1029   83.112   5.0162 10.37349 7.899849 
1 1 1   17   11   34 o   90.905   6.3445  1279.52  174.932  1279.52  174.932   0.0000   0.0000   90.905   6.3445  ?   ?  0.000000 6.344509 
1 1 1   17   11   35 o   87.081   9.8028  1199.73  256.019  1427.00  444.756  1087.10  313.095   92.442   16.362   81.764   12.979 10.67728 20.88462 
1 1 1   17   12    0 o  259.680   9.8044 10382.94  774.586 10382.94  774.586 10382.94  774.586  259.680   9.8044  259.680   9.8044 0.000000 0.000000 
1 1 1   17   12    1 o  355.400   6.8407 19350.99  742.057 18416.33  1351.57 19754.31  887.841  345.036   12.834  358.805   8.1070 -13.76877 15.17994 
1 1 1   17   12    2 o  170.352   4.9816  4437.91  259.019  3253.01  479.549  4925.98  307.776  144.883   10.925  179.425   5.6200 -34.54240 12.28539 
1 1 1   17   12    3 o  159.931   4.7698  3910.88  232.838  2960.08  368.759  4541.27  300.262  138.555   8.7649  172.268   5.7105 -33.71324 10.46105 
1 1 1   17   12    4 o  179.488   3.9152  4922.81  214.487  4822.86  291.142  5041.45  317.189  177.555   5.3722  181.505   5.7255 -3.949524 7.851246 
1 1 1   17   12    5 o  264.994   6.9646 10760.52  563.312 10692.57  615.584 11110.42  1396.90  264.047   7.6382  265.960   17.302 -1.912903 18.91316 
1 1 1   17   12    6 o  295.904   10.727 13493.35  968.791 12596.36  1659.96 13956.70  1193.05  282.215   19.389  300.254   13.018 -18.03922 23.35359 
1 1 1   17   12    7 o   63.200   4.5117  613.728   86.459  606.961  193.780  615.410   96.607   61.915   10.637   63.233   5.0476 -1.318008 11.77426 
1 1 1   17   12    8 o  280.440   8.0914 12070.71  692.600 11682.77  760.758 13949.32  1674.11  275.703   9.0404  297.396   18.535 -21.69315 20.62240 
1 1 1   17   12    9 o  199.214   10.459  6131.25  633.754  6315.11  870.534  5923.93  924.419  201.145   14.272  194.322   15.721 6.823456 21.23272 
1 1 1   17   12   10 o  318.098   5.4305 15482.97  527.251 15713.23  725.854 15225.76  767.150  320.088   7.4296  314.965   7.9800 5.123077 10.90313 
1 1 1   17   12   11 o  122.980   5.9406  2315.51  222.989  2400.12  260.971  2086.65  429.224  124.952   6.8691  115.498   12.368 9.453995 14.14742 
1 1 1   17   12   12 o  205.835   3.7705  6474.41  236.887  6782.03  296.906  5935.58  392.944  210.599   4.6190  196.824   6.5409 13.77547 8.007360 
1 1 1   17   12   13 f   77.372   4.8618  919.238  114.230  919.238  114.230   0.0000   0.0000   77.372   4.8618  ?   ?  0.000000 4.861753 
1 1 1   17   12   14 o  207.071   12.509  6666.08  786.881  6666.08  786.881   0.0000   0.0000  207.071   12.509  ?   ?  0.000000 12.50881 
1 1 1   17   12   15 o  238.971   6.3620  8750.34  464.039  9698.88  939.478  8444.25  533.685  250.219   12.301  234.579   7.4538 15.64032 14.38331 
1 1 1   17   12   16 o   58.019   4.5481  517.957   79.897  412.901  185.864  541.770   88.490   50.637   12.175   59.305   4.9334 -8.667629 13.13697 
1 1 1   17   12   17 o  158.979   5.8508  3871.07  283.906  3902.74  317.899  3746.32  631.015  159.557   6.5276  154.643   13.504 4.914383 14.99917 
1 1 1   17   12   18 o   27.389   6.6207  119.632   54.735   44.795  106.983  146.167   63.704   24.113   9.6298   30.266   7.0304 -6.152594 11.92304 
1 1 1   17   12   19 o  148.221   16.233  3489.66  722.375  3489.66  722.375   0.0000   0.0000  148.221   16.233  ?   ?  0.000000 16.23295 
1 1 1   17   12   20 o  129.243   4.9759  2556.60  196.287  2924.54  682.974  2523.48  204.933  135.235   16.916  128.383   5.2298 6.851318 17.70627 
1 1 1   17   12   21 o  109.181   5.9935  1832.66  198.967  1859.73  225.989  1739.36  419.602  109.876   6.7715  104.810   13.425 5.066643 15.03617 
1 1 1   17   12   22 o  180.499   5.8923  4994.21  324.622  4888.29  354.073  5552.63  812.980  178.488   6.4993  187.798   14.290 -9.309647 15.69889 
1 1 1   17   12   23 o  349.939   5.6553 18769.08  604.043 19202.24  744.087 17931.96  1034.41  353.584   6.8947  340.513   9.9527 13.07068 12.10759 
1 1 1   17   12   24 o   47.270   9.3717  357.046  130.436  341.710  137.448  495.965  413.676   46.118   10.049   57.303   19.634 -11.18430 22.05589 
1 1 1   17   12   25 o  125.857   14.466  2522.99  545.597   0.0000   0.0000  2522.99  545.597  ?   ?   125.857   14.466 0.000000 14.46589 
1 1 1   17   12   26 o   39.838   14.617  205.689  232.820   0.0000   0.0000  205.689  232.820  ?   ?    39.838   14.617 0.000000 14.61700 
1 1 1   17   12   27 o   91.472   7.8214  1299.45  216.270  978.787  250.969  2224.54  426.272   78.627   10.738  118.740   11.923 -40.11223 16.04570 
1 1 1   17   12   28 o   56.560   15.489  526.290  275.245  433.852  772.419  539.735  294.583   63.618   25.709   57.274   16.152 6.343807 30.36192 
1 1 1   17   12   29 o  147.040   3.8339  3309.07  172.066  3365.22  191.719  3076.51  390.150  148.235   4.2374  140.552   9.1442 7.682755 10.07830 
1 1 1   17   12   30 o   53.663   5.8151  447.657   93.721  435.993  106.642  487.230  196.435   52.777   6.7767   54.660   12.094 -1.883232 13.86363 
1 1 1   17   12   31 o   60.841   7.0046  578.354  127.700  611.427  142.040  438.923  291.645   62.451   7.6089   52.105   16.421 10.34623 18.09783 
1 1 1   17   12   32 o  101.209   4.1801  1569.71  129.128  1589.59  136.794  1407.10  391.217  101.825   4.4015   92.900   14.252 8.925415 14.91622 
1 1 1   17   12   33 o   27.167   8.8806  110.873   84.771  104.021   97.512  132.075  171.523   27.257   9.5217   33.076   12.468 -5.818754 15.68765 
1 1 1   17   12   34 o   63.365   6.8806  627.434  130.935  637.075  148.594  593.950  276.927   63.644   7.8135   59.481   15.198 4.163212 17.08850 
1 1 1   17   13    0 o  331.274   8.4448 16843.14  852.624 16843.14  852.624 16843.14  852.624  331.274   8.4448  331.274   8.4448 0.000000 0.000000 
1 1 1   17   13    1 o  165.839   4.6391  4205.33  234.821  4099.48  253.954  4829.49  616.671  163.706   5.0824  176.479   11.511 -12.77280 12.58346 
1 1 1   17   13    2 o  111.871   8.7006  1934.40  294.752  2207.35  350.156  1270.72  546.008  119.376   9.6938   87.889   20.696 31.48689 22.85374 
1 1 1   17   13    3 o  405.247   12.411 25412.95  1535.11 25397.90  2173.28 25427.92  2168.67  402.271   17.700  402.540   17.651 -0.2685852 24.99707 
1 1 1   17   13    4 o  126.812   5.3914  2460.71  208.681  2179.62  243.567  3236.58  404.659  119.074   6.7292  144.785   9.2047 -25.71079 11.40215 
1 1 1   17   13    5 o  129.041   4.4637  2545.88  175.808  2228.63  426.397  2610.86  192.974  119.513   11.845  130.657   4.8389 -11.14404 12.79544 
1 1 1   17   13    6 o   64.087   5.8901  634.081  113.927  1793.37  293.595  428.576  123.613  107.628   9.0205   52.246   8.0069 55.38182 12.06149 
1 1 1   17   13    7 o  352.499   13.018 19264.19  1400.64 19264.19  1400.64   0.0000   0.0000  352.499   13.018  ?   ?  0.000000 13.01823 
1 1 1   17   13    8 o  228.744   6.3868  8016.13  445.912  8002.39  485.370  8090.50  1129.05  228.465   6.9604  226.814   16.420 1.651184 17.83447 
1 1 1   17   13    9 o  316.559   5.9654 15345.60  576.385 15501.40  826.906 15198.37  803.846  317.596   8.5303  314.516   8.3736 3.079773 11.95339 
1 1 1   17   13   10 o  279.061   6.7578 11937.79  575.598 11878.67  674.254 12096.62  1105.23  278.133   7.9424  279.249   12.967 -1.115509 15.20620 
1 1 1   17   13   11 o  103.109   3.4686  1624.43  109.161  1616.64  151.995  1632.73  156.873  102.803   4.8440  103.307   4.9751 -0.5037308 6.943812 
1 1 1   17   13   12 o  352.493   7.5200 19071.38  809.073 19743.14  880.009 15401.34  2056.91  358.500   8.0423  309.534   21.913 48.96506 23.34234 
1 1 1   17   13   13 o   38.271   16.755 -69.2781  373.113 -69.2781  373.113   0.0000   0.0000   38.271   16.755  ?   ?  0.000000 16.75541 
1 1 1   17   13   14 o   58.211   8.7785  532.750  151.123  536.353  186.027  525.757  259.153   58.000   10.909   56.980   14.777 1.019760 18.36706 
1 1 1   17   13   15 o   66.828   3.5816  684.474   72.789  556.192  110.330  783.343   96.859   59.939   6.1164   71.428   4.4652 -11.48866 7.572897 
1 1 1   17   13   16 o  188.814   11.287  5537.94  647.511  6051.66  1106.44  5270.36  798.534  194.445   18.881  183.171   14.399 11.27390 23.74498 
1 1 1   17   13   17 o   66.459   14.758  717.046  291.569   0.0000   0.0000  717.046  291.569  ?   ?    66.459   14.758 0.000000 14.75808 
1 1 1   17   13   18 o   31.992   5.8333  161.702   54.862  206.225  109.628  146.827   63.367   35.962   9.7449   30.328   6.9890 5.633457 11.99209 
1 1 1   17   13   19 o  120.952   5.7202  2241.82  211.176  2184.49  239.182  2444.50  449.745  119.134   6.6035  124.905   11.943 -5.770584 13.64663 
1 1 1   17   13   20 o  152.507   9.2001  3601.59  426.247  3630.96  596.544  3570.96  609.265  152.056   12.978  150.650   13.390 1.406036 18.64693 
1 1 1   17   13   21 o  199.938   5.7340  6128.27  349.923  7085.09  770.151  5879.36  392.810  213.090   11.889  195.696   6.5763 17.39392 13.58626 
1 1 1   17   13   22 o  104.700   3.8980  1676.62  124.567  1882.78  219.288  1578.41  151.358  110.543   6.5283  101.524   4.8845 9.018890 8.153346 
1 1 1   17   13   23 o  143.791   4.8182  3166.55  211.465  3380.68  233.070  2169.61  502.913  148.537   5.1409  116.593   14.441 31.94412 15.32873 
1 1 1   17   13   24 o   76.697   6.9519  911.980  160.973  718.266  177.060  1835.06  386.509   67.639   8.7838  107.805   11.947 -40.16655 14.82873 
1 1 1   17   13   25 o  176.583   4.4136  4774.58  237.881  4778.69  251.402  4739.39  735.275  176.624   4.6634  172.799   14.063 3.825058 14.81593 
1 1 1   17   13   26 o  131.022   3.2348  2624.85  129.363  2721.00  178.698  2518.98  187.515  133.293   4.3924  128.206   4.7919 5.086594 6.500415 
1 1 1   17   13   27 o   96.159   10.603  1458.17  306.026  1318.40  758.632  1485.34  334.444   86.233   26.372   96.776   11.551 -10.54282 28.79063 
1 1 1   17   13   28 o  174.373   5.6328  4670.76  299.793  4803.36  337.383  4173.18  653.548  176.696   6.2558  161.918   13.343 14.77832 14.73663 
1 1 1   17   13   29 o  104.308   6.7135  1683.59  212.602  1436.82  241.707  2527.14  446.885   95.955   8.3357  126.297   11.727 -30.34114 14.38738 
1 1 1   17   13   30 o  139.133   10.487  3045.66  442.082  2792.34  842.599  3141.87  519.297  126.628   22.632  140.582   12.224 -13.95452 25.72186 
1 1 1   17   13   31 o  183.669   3.4614  5163.41  194.046  5371.47  254.197  4872.86  300.398  187.153   4.4500  178.020   5.5285 9.132568 7.096977 
1 1 1   17   13   32 o  129.209   3.9375  2558.12  155.286  2590.71  166.508  2340.51  430.284  129.994   4.1966  121.163   11.784 8.830711 12.50904 
1 1 1   17   14    0 o  172.670   10.125  4623.20  529.432  4623.20  529.432  4623.20  529.432  172.670   10.125  172.670   10.125 0.000000 0.000000 
1 1 1   17   14    1 o   94.476   5.1094  1369.66  146.788  1385.55  153.989  1211.63  485.665   95.000   5.3322   85.996   19.009 9.004753 19.74235 
1 1 1   17   14    2 o  212.939   5.5087  6940.76  358.029  7032.16  416.320  6681.20  701.574  214.227   6.3670  207.676   11.108 6.551773 12.80363 
1 1 1   17   14    3 o  277.249   6.2346 11776.41  527.593 12125.94  607.089 10697.84  1066.45  281.177   7.0739  262.101   13.375 19.07526 15.13063 
1 1 1   17   14    4 o  396.747   12.000 24370.75  1453.13 25758.55  2093.64 23080.80  2018.49  405.026   16.936  383.189   17.258 21.83670 24.17986 
1 1 1   17   14    5 o  422.698   14.542 27853.08  1876.12 27936.71  2320.38 27695.19  3188.28  420.939   18.060  412.002   25.479 8.937317 31.23033 
1 1 1   17   14    6 o  188.775   12.254  5544.25  702.218  5544.25  702.218   0.0000   0.0000  188.775   12.254  ?   ?  0.000000 12.25364 
1 1 1   17   14    7 o  363.408   6.3368 20238.63  702.882 20094.76  768.028 20980.40  1743.90  361.961   6.9518  366.181   15.603 -4.220398 17.08165 
1 1 1   17   14    8 o  231.731   5.1557  8218.02  364.658  7685.05  516.621  8747.22  514.794  223.731   7.5653  238.784   7.0634 -15.05281 10.35014 
1 1 1   17   14    9 o  334.539   7.4289 17180.41  758.559 17531.28  886.622 16222.14  1465.24  337.600   8.6044  322.234   14.898 15.36563 17.20397 
1 1 1   17   14   10 o  266.107   6.5715 10857.60  533.751 10673.64  624.830 11354.25  1026.66  263.599   7.7661  270.498   12.435 -6.899628 14.66088 
1 1 1   17   14   11 o  199.573   5.4676  6098.60  333.055  6289.13  364.991  5150.50  814.172  202.611   5.9020  180.936   14.874 21.67552 16.00246 
1 1 1   17   14   12 o  151.233   6.5507  3507.43  302.378  3507.43  302.378   0.0000   0.0000  151.233   6.5507  ?   ?  0.000000 6.550679 
1 1 1   17   14   13 o  157.145   6.5965  3787.75  316.396  3787.75  316.396   0.0000   0.0000  157.145   6.5965  ?   ?  0.000000 6.596480 
1 1 1   17   14   14 o  314.710   6.0916 15182.02  585.143 15271.35  615.827 14352.10  1877.14  315.564   6.3937  298.490   20.732 17.07394 21.69599 
1 1 1   17   14   15 o  190.604   6.0042  5568.93  349.302  6765.03  1174.49  5452.87  365.857  205.295   18.958  188.557   6.3570 16.73868 19.99526 
1 1 1   17   14   16 o   69.185   13.420  771.169  273.155   0.0000   0.0000  771.169  273.155  ?   ?    69.185   13.420 0.000000 13.41967 
1 1 1   17   14   17 o   95.192   3.1715  1384.72   92.148  1458.09  129.408  1309.26  131.246   97.625   4.3429   92.373   4.6702 5.251625 6.377457 
1 1 1   17   14   18 o  128.747   4.0004  2535.22  157.202  2554.55  167.058  2385.75  464.527  129.220   4.2357  123.117   12.537 6.102951 13.23274 
1 1 1   17   14   19 o  214.402   5.9500  7050.80  389.368  7096.18  424.535  6810.40  977.053  214.993   6.4695  207.167   15.566 7.825867 16.85659 
1 1 1   17   14   20 o  125.663   4.8392  2418.37  185.608  2592.01  653.623  2403.14  193.577  126.480   17.391  125.246   5.0637 1.234108 18.11350 
1 1 1   17   14   21 o   20.981   7.0805   63.055   53.792  216.702  493.284   61.206   54.114   50.610   20.512   20.809   7.1013 29.80061 21.70689 
1 1 1   17   14   22 o  149.329   10.271  3478.09  465.275  3339.86  750.269  3564.46  593.094  143.443   17.499  150.196   13.068 -6.753815 21.84004 
1 1 1   17   14   23 o  175.316   10.859  4804.72  578.187  4437.25  883.588  5079.90  764.616  165.189   17.806  178.845   14.122 -13.65627 22.72646 
1 1 1   17   14   24 o   50.550   10.296  411.410  153.459  421.419  181.161  385.984  288.749   50.904   11.877   49.815   16.395 1.088783 20.24521 
1 1 1   17   14   25 o   95.336   3.9252  1391.27  114.219  1521.08  212.079  1338.23  135.558   99.108   7.0570   93.313   4.7756 5.795013 8.520980 
1 1 1   17   14   26 o  118.626   8.2237  2187.77  295.921  2113.51  798.185  2199.61  318.628  109.305   24.527  118.776   8.8525 -9.470810 26.07615 
1 1 1   17   14   27 o  153.466   8.2669  3658.44  385.805  3698.41  915.734  3649.81  425.402  147.707   20.895  152.984   9.1524 -5.276535 22.81157 
1 1 1   17   14   28 o  102.265   3.8630  1601.56  120.579  1543.98  209.867  1629.93  147.322   99.795   6.9330  103.083   4.6824 -3.288071 8.366096 
1 1 1   17   14   29 o  129.380   10.780  2643.88  421.834  2348.44  839.653  2743.61  487.872  114.116   24.814  131.143   12.333 -17.02662 27.70972 
1 1 1   17   14   30 o  131.411   11.399  2742.01  452.663  1310.24  854.365  3300.78  533.734   83.927   28.219  143.832   12.275 -59.90508 30.77302 
1 1 1   17   14   31 o  155.692   12.919  3889.39  608.392   0.0000   0.0000  3889.39  608.392  ?   ?   155.692   12.919 0.000000 12.91939 
1 1 1   17   15    0 o  249.613   18.113  9851.72  1363.30  9851.72  1363.30  9851.72  1363.30  249.613   18.113  249.613   18.113 0.000000 0.000000 
1 1 1   17   15    1 o  103.737   3.8985  1645.10  123.438  1698.41  168.563  1583.45  181.262  105.333   5.2430  101.498   5.8761 3.834846 7.875165 
1 1 1   17   15    2 o  162.562   6.8556  4054.12  340.159  4028.78  481.907  4079.28  480.213  161.319   9.8342  162.354   9.7356 -1.035004 13.83817 
1 1 1   17   15    3 o  163.652   7.2342  4111.21  361.350  3761.17  555.245  4368.39  475.927  155.353   11.798  168.121   9.3110 -12.76770 15.02947 
1 1 1   17   15    4 o   86.310   9.4211  1161.44  244.156  1445.84  298.747  589.416  423.691   96.223   10.334   61.383   19.840 34.84003 22.36975 
1 1 1   17   15    5 o  193.844   5.2002  5752.12  307.674  5750.15  329.824  5765.34  853.963  193.766   5.5768  191.492   14.724 2.274612 15.74434 
1 1 1   17   15    6 f  176.600   5.9657  4779.06  321.563  4765.77  355.169  4839.46  757.324  176.273   6.6013  175.494   14.262 0.7795258 15.71557 
1 1 1   17   15    7 o  203.439   6.4112  6346.47  398.097  6514.97  430.803  5361.43  1041.61  206.052   6.8499  182.794   18.944 23.25888 20.14463 
1 1 1   17   15    8 o  424.552   6.3808 27639.76  826.841 28188.85  1032.13 26656.09  1381.46  428.203   7.8971  415.022   10.906 13.18027 13.46462 
1 1 1   17   15    9 o  328.632   12.255 16779.78  1229.27 18232.26  2315.38 16209.68  1450.59  334.699   22.801  321.710   14.773 12.98846 27.16804 
1 1 1   17   15   10 o  248.099   10.424  9518.94  789.334  9580.23  1625.45  9500.02  902.947  242.490   22.208  247.338   11.961 -4.848007 25.22423 
1 1 1   17   15   11 o  208.623   5.9200  6671.38  376.966  7091.28  427.314  5197.83  800.493  214.989   6.5120  181.614   14.563 33.37534 15.95295 
1 1 1   17   15   12 o  253.209   6.3513  9835.42  490.859 10121.70  538.295  8422.52  1195.86  256.756   6.8688  230.046   17.155 26.70941 18.47876 
1 1 1   17   15   13 o   28.582   10.590   98.779  122.721  209.223  191.064   21.216  160.116   38.436   13.334   27.292   11.434 11.14404 17.56466 
1 1 1   17   15   14 o  119.845   3.8600  2196.38  141.196  1997.91  209.481  2361.62  191.139  113.977   6.0432  124.183   5.0428 -10.20572 7.870808 
1 1 1   17   15   15 o  266.103   13.637 11115.66  1103.88 11315.22  1694.56 10968.54  1454.94  263.356   21.263  261.420   18.351 1.936829 28.08630 
1 1 1   17   15   16 o  309.095   5.1193 14636.17  482.967 14968.99  596.251 14001.17  823.586  312.297   6.2552  301.137   8.9604 11.16092 10.92782 
1 1 1   17   15   17 o   79.246   4.7534  965.096  114.444  998.757  124.320  778.125  292.996   80.582   5.0806   69.141   14.354 11.44137 15.22619 
1 1 1   17   15   18 o  160.916   5.4568  3970.29  268.010  3974.34  296.103  3951.91  630.394  160.915   6.0288  158.264   13.170 2.650711 14.48400 
1 1 1   17   15   19 o  170.837   4.0938  4466.37  213.464  4870.08  312.709  4114.09  292.111  178.152   5.7509  163.727   5.8454 14.42487 8.200048 
1 1 1   17   15   20 o  224.754   6.3398  7762.89  434.910  7853.21  479.322  7342.17  1034.55  225.900   6.9518  214.153   15.942 11.74696 17.39142 
1 1 1   17   15   21 o  238.700   4.7761  8731.66  347.969  8846.59  366.932  7705.12  1096.59  240.217   5.0046  218.761   16.545 21.45523 17.28576 
1 1 1   17   15   22 o  198.008   6.3431  6029.68  383.355  6029.68  383.355   0.0000   0.0000  198.008   6.3431  ?   ?  0.000000 6.343108 
1 1 1   17   15   23 o  138.819   3.9558  2950.25  167.613  3016.84  177.023  2373.51  521.003  140.357   4.1322  121.481   14.327 18.87535 14.91080 
1 1 1   17   15   24 o   59.445   5.2490  546.605   94.259  557.744  108.201  511.543  191.967   59.932   5.9954   56.130   11.589 3.802635 13.04804 
1 1 1   17   15   25 o  145.170   3.4301  3224.68  151.987  3231.91  197.093  3214.07  238.727  145.203   4.4471  144.649   5.4072 0.5542145 7.001020 
1 1 1   17   15   26 o  128.402   4.6090  2528.73  180.633  2940.63  865.834  2509.99  184.697  129.906   22.661  127.908   4.7309 1.998405 23.14940 
1 1 1   17   15   27 o   53.918   4.5554  449.077   74.266  611.588  171.437  411.535   82.399   61.990   9.3516   51.480   5.3209 10.51042 10.75937 
1 1 1   17   15   28 o  206.861   4.2521  6561.17  268.472  6679.23  297.485  6042.97  623.271  208.612   4.6721  195.966   10.458 12.64656 11.45426 
1 1 1   17   15   29 o   83.761   5.1200  1082.30  130.267  1063.30  159.758  1119.99  225.030   82.777   6.3722   84.331   8.8758 -1.554459 10.92628 
1 1 1   17   16    0 o  383.204   25.158 23696.16  2913.46 23696.16  2913.46 23696.16  2913.46  383.204   25.158  383.204   25.158 0.000000 0.000000 
1 1 1   17   16    1 o  335.946   6.5381 17317.08  670.409 17430.84  997.290 17223.28  905.540  335.950   9.7259  334.276   8.8754 1.674377 13.16682 
1 1 1   17   16    2 o  247.428   5.7008  9381.61  430.529  9458.36  496.031  9147.21  866.859  248.275   6.5457  242.716   11.701 5.559189 13.40770 
1 1 1   17   16    3 o  143.487   5.2150  3152.99  228.395  3954.55  534.787  2974.17  252.589  159.365   11.063  139.287   5.9414 20.07793 12.55738 
1 1 1   17   16    4 o  260.142   5.9223 10374.47  470.241 10330.91  536.427 10519.04  977.244  259.415   6.7748  260.010   12.314 -0.5957031 14.05454 
1 1 1   17   16    5 o  221.912   7.5866  7571.67  513.859  7553.73  687.153  7594.42  773.983  220.990   10.187  220.892   11.520 0.9890747E-01 15.37814 
1 1 1   17   16    6 o  282.474   6.0743 12236.29  523.710 12245.69  600.639 12206.47  1069.57  282.367   6.9692  279.941   12.518 2.426117 14.32702 
1 1 1   17   16    7 o   58.662   4.6783  530.036   83.069  297.896  235.590  562.995   88.770   44.560   14.816   60.450   4.8521 -15.89014 15.59048 
1 1 1   17   16    8 o  100.650   4.3385  1549.97  133.281  1566.92  142.893  1436.54  369.656  101.181   4.6269   95.097   13.082 6.084511 13.87599 
1 1 1   17   16    9 o  141.080   7.5223  3069.80  322.746  3184.85  583.248  3019.02  387.478  142.048   13.619  139.555   9.1473 2.493347 16.40612 
1 1 1   17   16   10 o  448.320   14.938 31641.11  2044.08 34276.84  2532.65 26715.92  3462.06  463.539   17.901  395.010   28.916 68.52939 34.00842 
1 1 1   17   16   11 o  232.261   6.4659  8282.48  458.378  8606.96  515.526  7057.52  1001.65  236.611   7.1384  210.807   15.680 25.80435 17.22806 
1 1 1   17   16   12 o  136.689   5.3414  2863.49  222.848  2979.22  281.477  2669.12  364.790  139.266   6.6219  131.122   9.1727 8.144531 11.31312 
1 1 1   17   16   13 o  119.363   4.4341  2180.89  161.546  2317.78  191.463  1842.62  300.975  122.993   5.1002  108.817   9.1467 14.17547 10.47251 
1 1 1   17   16   14 o   35.657   6.8786  202.011   72.150   43.004  921.292  202.992   72.372   60.959   26.516   35.745   6.8831 25.21370 27.39527 
1 1 1   17   16   15 o   56.166   17.473  506.841  331.419   0.0000   0.0000  506.841  331.419  ?   ?    56.166   17.473 0.000000 17.47318 
1 1 1   17   16   16 o  143.090   5.8642  3143.00  256.115  3143.00  256.115   0.0000   0.0000  143.090   5.8642  ?   ?  0.000000 5.864196 
1 1 1   17   16   17 o   42.674   8.3978  290.899  105.486  301.383  111.655  203.814  321.802   43.395   8.7323   43.407   16.893 -0.1264191E-01 19.01607 
1 1 1   17   16   18 f  199.394   4.6125  6091.47  280.714  6227.38  402.336  5962.54  391.850  201.205   6.5514  196.887   6.5206 4.317551 9.243313 
1 1 1   17   16   19 o  142.912   4.3954  3128.56  191.728  3128.56  191.728   0.0000   0.0000  142.912   4.3954  ?   ?  0.000000 4.395422 
1 1 1   17   16   20 o   62.000   5.7990  595.683  108.464  595.683  108.464   0.0000   0.0000   62.000   5.7990  ?   ?  0.000000 5.798995 
1 1 1   17   16   21 o  122.117   4.3775  2285.07  163.160  2285.07  163.160   0.0000   0.0000  122.117   4.3775  ?   ?  0.000000 4.377460 
1 1 1   17   16   22 o  172.559   6.0224  4580.85  317.193  4580.85  317.193   0.0000   0.0000  172.559   6.0224  ?   ?  0.000000 6.022390 
1 1 1   17   16   23 o   12.297   5.4092 -10.8466   39.292 -78.0385   92.266   4.0386   43.427   16.540   7.6682   14.138   5.9403 2.402074 9.699979 
1 1 1   17   16   24 f  222.468   3.8976  7580.94  264.658  7917.36  341.809  7077.32  418.209  227.099   4.9312  214.285   6.3942 12.81436 8.074775 
1 1 1   17   16   25 o   43.639   15.004  287.476  241.679  403.213  765.118  274.648  254.720   61.356   25.286   43.404   15.370 17.95263 29.59114 
1 1 1   17   16   26 o  201.868   4.3362  6250.11  267.171  6925.16  422.772  5801.27  344.734  211.820   6.5392  194.099   5.8189 17.72159 8.753328 
1 1 1   17   16   27 o   69.015   4.0733  732.758   85.423  923.232  191.571  685.485   95.437   76.621   8.3255   66.650   4.7219 9.970978 9.571335 
1 1 1   17   17    0 o  258.198   13.649 10413.66  1068.77 10413.66  1068.77 10413.66  1068.77  258.198   13.649  258.198   13.649 0.000000 0.000000 
1 1 1   17   17    1 o  421.056   7.7697 27297.64  998.536 27779.43  1485.37 26900.39  1348.78  422.523   11.518  416.390   10.613 6.133698 15.66161 
1 1 1   17   17    2 o  185.569   11.140  5370.10  628.036   0.0000   0.0000  5370.10  628.036  ?   ?   185.569   11.140 0.000000 11.13981 
1 1 1   17   17    3 o  268.359   8.5768 11111.21  702.518 11808.84  1026.55 10496.69  963.468  275.119   12.225  259.410   12.168 15.70889 17.24866 
1 1 1   17   17    4 o  187.108   7.6907  5390.37  439.210  5328.77  672.249  5436.24  580.152  184.508   12.002  187.012   10.202 -2.504669 15.75259 
1 1 1   17   17    5 o  121.723   3.6470  2265.72  135.495  2387.74  192.587  2146.12  190.665  124.841   5.0542  118.336   5.2788 6.505692 7.308280 
1 1 1   17   17    6 o   89.172   4.3506  1217.05  118.413  1189.37  132.082  1330.39  267.284   87.978   4.9387   92.231   9.6370 -4.252609 10.82876 
1 1 1   17   17    7 o  127.420   3.9558  2483.85  153.848  2517.09  171.572  2347.44  347.563  128.234   4.3835  122.848   9.3393 5.386429 10.31684 
1 1 1   17   17    8 o  240.366   5.1223  8854.10  375.802  9197.85  530.010  8506.54  532.930  244.519   7.1016  235.063   7.4279 9.456467 10.27651 
1 1 1   17   17    9 o  170.640   24.442  4942.04  1236.68  4942.04  1236.68   0.0000   0.0000  170.640   24.442  ?   ?  0.000000 24.44241 
1 1 1   17   17   10 o  142.635   9.2216  3161.28  399.316  3394.78  578.182  2948.33  552.154  146.549   13.063  136.359   13.441 10.19019 18.74339 
1 1 1   17   17   11 o  232.395   6.0492  8293.65  429.085  8591.53  472.974  6908.39  1019.96  236.403   6.5549  207.596   16.226 28.80707 17.50012 
1 1 1   17   17   12 o   18.079   7.0468   30.714   56.066 -223.1856  462.037   34.509   56.484   39.163   17.782   18.453   7.1062 20.71029 19.14904 
1 1 1   17   17   13 o  189.229   9.9564  5577.41  573.027   0.0000   0.0000  5577.41  573.027  ?   ?   189.229   9.9564 0.000000 9.956364 
1 1 1   17   17   14 o   56.272   11.073  510.534  183.409   0.0000   0.0000  510.534  183.409  ?   ?    56.272   11.073 0.000000 11.07295 
1 1 1   17   17   15 o  128.590   5.7241  2539.54  224.662  2539.54  224.662   0.0000   0.0000  128.590   5.7241  ?   ?  0.000000 5.724061 
1 1 1   17   17   16 o   27.220   9.3199  105.858   93.212  110.522   99.166   70.478  273.127   27.902   9.6102   36.288   15.045 -8.386318 17.85215 
1 1 1   17   17   17 o  128.791   3.8211  2539.09  150.208  2545.23  220.854  2533.80  204.896  128.719   5.6214  128.487   5.2247 0.2319641 7.674475 
1 1 1   17   17   18 o  124.974   5.1476  2397.29  196.356  2411.64  213.392  2318.09  501.502  125.285   5.5804  120.033   13.949 5.251587 15.02339 
1 1 1   17   17   19 o  178.823   3.7585  4895.75  205.145  4718.82  259.919  5188.07  334.084  175.376   4.8557  183.643   5.9603 -8.266891 7.687812 
1 1 1   17   17   20 o  269.583   7.5519 11239.67  621.393 11239.67  621.393   0.0000   0.0000  269.583   7.5519  ?   ?  0.000000 7.551911 
1 1 1   17   17   21 o  137.492   24.676  3371.93  997.493  3371.93  997.493   0.0000   0.0000  137.492   24.676  ?   ?  0.000000 24.67599 
1 1 1   17   17   22 o  224.234   12.131  7981.15  827.207  8445.68  1312.88  7675.33  1065.25  224.182   19.378  216.634   16.228 7.548111 25.27549 
1 1 1   17   17   23 o  130.899   5.1766  2633.49  206.823  2813.04  236.314  2045.81  427.539  135.181   5.7274  112.812   12.634 22.36987 13.87117 
1 1 1   17   17   24 o  111.289   4.0201  1898.54  136.555  1916.13  241.090  1890.23  165.696  111.052   7.1507  110.927   4.8939 0.1255951 8.665055 
1 1 1   17   18    0 f  153.260   10.241  3668.27  474.162  3668.27  474.162  3668.27  474.162  153.260   10.241  153.260   10.241 0.000000 0.000000 
1 1 1   17   18    1 o  197.218   5.8467  5971.61  351.944  7268.72  921.221  5749.94  380.832  214.059   14.180  193.397   6.4516 20.66179 15.57878 
1 1 1   17   18    2 o  220.512   11.237  7604.92  753.792   0.0000   0.0000  7604.92  753.792  ?   ?   220.512   11.237 0.000000 11.23687 
1 1 1   17   18    3 f  103.945   9.3450  1687.35  293.312   0.0000   0.0000  1687.35  293.312  ?   ?   103.945   9.3450 0.000000 9.344957 
1 1 1   17   18    4 o  101.754   3.6402  1583.89  113.056  1683.19  158.033  1479.80  161.804  104.791   4.9409   98.064   5.4270 6.726997 7.339263 
1 1 1   17   18    5 o  149.556   4.9466  3428.65  225.804  3341.83  264.328  3663.11  434.360  147.517   5.8706  153.453   9.3179 -5.936081 11.01305 
1 1 1   17   18    6 o  187.431   5.9342  5396.10  339.485  5501.50  377.570  4951.29  775.642  189.122   6.5409  176.185   14.554 12.93694 15.95624 
1 1 1   17   18    7 o  231.071   9.6012  8289.21  677.156  7710.33  1214.68  8550.24  815.662  217.285   18.491  233.855   11.427 -16.57014 21.73722 
1 1 1   17   18    8 o  131.634   10.059  2710.13  401.100  2744.90  631.050  2686.56  519.552  130.024   16.256  129.901   13.291 0.1226196 20.99799 
1 1 1   17   18    9 o  154.592   16.052  3864.11  746.369  3864.11  746.369   0.0000   0.0000  154.592   16.052  ?   ?  0.000000 16.05190 
1 1 1   17   18   10 o  256.401   12.549 10347.19  982.074 10562.62  1425.50 10152.56  1354.91  254.027   18.513  249.568   17.906 4.459061 25.75553 
1 1 1   17   18   11 o   95.239   10.948  1435.18  312.472  1611.28  542.529  1347.77  382.237   97.917   18.837   91.176   14.197 6.741119 23.58788 
1 1 1   17   18   12 o  123.111   6.3799  2338.80  238.911  2546.06  290.303  1903.84  420.555  128.212   7.4504  109.142   12.872 19.06968 14.87276 
1 1 1   17   18   13 o   79.702   30.557  1024.40  1041.42  1024.40  1041.42   0.0000   0.0000   79.702   30.557  ?   ?  0.000000 30.55744 
1 1 1   17   18   14 o   74.331   11.845  888.736  259.724  945.500  461.999  862.507  314.048   74.176   19.965   72.286   14.734 1.889107 24.81309 
1 1 1   17   18   15 o  147.521   6.8242  3356.57  307.271  3356.57  307.271   0.0000   0.0000  147.521   6.8242  ?   ?  0.000000 6.824179 
1 1 1   17   18   16 f   35.827   13.603  152.413  205.129  152.413  205.129   0.0000   0.0000   35.827   13.603  ?   ?  0.000000 13.60305 
1 1 1   17   18   17 o  120.528   9.6072  2280.16  350.494  2520.37  540.502  2105.85  460.421  124.662   14.475  114.294   13.456 10.36855 19.76301 
1 1 1   17   18   18 o  134.799   4.9608  2790.25  204.106  3426.85  575.067  2698.49  218.320  146.256   13.018  132.489   5.3988 13.76726 14.09333 
1 1 1   17   18   19 o   63.442   10.953  649.713  204.432  649.713  204.432   0.0000   0.0000   63.442   10.953  ?   ?  0.000000 10.95337 
1 1 1   17   18   20 o   34.127   9.2542  187.862   98.824  187.862   98.824   0.0000   0.0000   34.127   9.2542  ?   ?  0.000000 9.254214 
1 1 1   17   18   21 o   60.681   6.8082  576.031  123.921  593.873  134.717  477.906  315.925   61.509   7.3194   53.800   17.105 7.708969 18.60521 
1 1 1   17   19    0 o  263.645   18.238 11158.28  1451.49 11158.28  1451.49 11158.28  1451.49  263.645   18.238  263.645   18.238 0.000000 0.000000 
1 1 1   17   19    1 o  176.150   5.2542  4763.09  282.494  4680.39  305.498  5251.01  742.056  174.517   5.7353  181.582   13.485 -7.064880 14.65418 
1 1 1   17   19    2 o  231.180   5.8508  8215.65  412.842  8155.08  477.447  8395.13  821.878  230.035   6.8001  230.931   11.698 -0.8963928 13.53124 
1 1 1   17   19    3 o  192.338   5.7644  5685.85  338.403  5711.73  949.793  5682.09  362.170  187.271   16.795  192.174   6.1745 -4.902908 17.89406 
1 1 1   17   19    4 o  107.912   4.5364  1785.05  149.417  2067.32  528.362  1760.52  155.775  112.471   15.829  107.143   4.7634 5.328110 16.53036 
1 1 1   17   19    5 o   72.813   9.4983  838.022  206.065  734.805  459.160  864.055  230.591   66.042   20.570   73.664   10.558 -7.622505 23.12141 
1 1 1   17   19    6 o  138.563   4.6533  2944.11  196.799  3132.55  643.458  2924.67  206.704  138.947   15.433  138.068   4.9050 0.8790283 16.19380 
1 1 1   17   19    7 o  166.077   10.319  4324.85  520.490  4560.69  780.732  4136.18  698.312  167.874   15.409  160.383   14.419 7.491608 21.10339 
1 1 1   17   19    8 o  213.013   6.7710  6996.91  440.230  7057.15  493.329  6761.38  975.438  213.655   7.5650  204.285   15.766 9.369827 17.48690 
1 1 1   17   19    9 o  122.606   5.5714  2310.58  208.495  2292.45  267.204  2338.81  333.367  121.621   7.2307  122.344   8.9903 -0.7235107 11.53726 
1 1 1   17   19   10 o  221.372   9.8078  7648.59  662.690  8165.31  876.037  6957.36  1013.23  226.710   12.711  206.700   16.190 20.00983 20.58346 
1 1 1   17   19   11 o  184.336   7.5035  5256.09  422.171  5256.09  422.171   0.0000   0.0000  184.336   7.5035  ?   ?  0.000000 7.503460 
1 1 1   17   19   12 o   33.062   12.518  129.633  173.407  175.982  234.976   74.201  256.966   38.245   14.550   35.349   14.619 2.896225 20.62565 
1 1 1   17   19   13 o  139.430   5.9278  2993.22  252.270  3071.30  288.608  2740.42  519.326  141.064   6.7031  130.578   13.212 10.48598 14.81517 
1 1 1   17   19   14 o   58.521   14.319  570.900  253.665  683.657  452.426  519.203  306.346   63.540   20.498   55.793   16.692 7.747459 26.43447 
1 1 1   17   19   15 o   90.172   4.6909  1251.46  128.660  1323.54  490.892  1246.14  133.320   87.674   18.901   89.950   4.8742 -2.275276 19.51903 
1 1 1   17   19   16 o  186.005   4.9127  5314.81  278.906  5314.81  278.906   0.0000   0.0000  186.005   4.9127  ?   ?  0.000000 4.912667 
1 1 1   17   19   17 o   21.484   8.8693   22.686   94.343   34.359  102.932 -38.6380  235.918   22.965   9.3470   30.267   13.286 -7.301981 16.24413 
1 1 1   17   19   18 o   61.685   26.851  235.909  946.015  235.909  946.015   0.0000   0.0000   61.685   26.851  ?   ?  0.000000 26.85114 
1 1 1   17   20    0 o  162.608   9.8443  4131.56  484.485  4131.56  484.485  4131.56  484.485  162.608   9.8443  162.608   9.8443 0.000000 0.000000 
1 1 1   17   20    1 o   66.685   12.169  723.499  238.553  830.944  341.285  620.854  333.576   70.219   16.246   60.637   17.219 9.581230 23.67340 
1 1 1   17   20    2 o   74.804   11.772  902.767  259.904  958.777  446.117  873.989  319.777   74.420   19.430   72.488   14.950 1.932838 24.51606 
1 1 1   17   20    3 o  315.554   8.0674 15447.45  777.005 15661.08  2058.51 15411.96  839.075  300.924   22.576  314.751   8.7341 -13.82703 24.20699 
1 1 1   17   20    4 o  149.987   8.4755  3506.69  386.416  2746.31  722.371  3811.48  457.353  127.275   19.191  155.908   9.6585 -28.63302 21.48483 
1 1 1   17   20    5 o  208.892   11.466  6903.42  728.252  6858.46  1052.64  6944.68  1008.58  203.917   17.070  205.982   16.172 -2.064606 23.51404 
1 1 1   17   20    6 o  239.045   6.4300  8814.51  469.148  9414.95  955.209  8623.63  538.585  242.846   12.934  236.000   7.4769 6.845108 14.93929 
1 1 1   17   20    7 o  204.513   10.037  6552.58  626.537  6626.55  830.928  6455.11  953.849  203.188   13.475  198.673   15.862 4.515686 20.81283 
1 1 1   17   20    8 o  126.259   5.6215  2453.40  216.637  2460.97  275.264  2441.07  351.152  125.923   7.1917  124.721   9.2911 1.201889 11.74924 
1 1 1   17   20    9 o  100.949   6.6589  1580.49  204.019  1751.77  244.667  1189.58  369.619  106.049   7.6094   84.770   14.825 21.27870 16.66420 
1 1 1   17   20   10 o  264.637   13.814 11275.42  1111.94 12009.92  1775.60 10801.53  1426.23  262.417   22.382  253.798   18.540 8.619385 29.06364 
1 1 1   17   20   11 o  235.420   12.809  8869.73  916.935 10053.42  1543.29  8223.89  1139.96  241.358   21.163  222.908   16.880 18.44925 27.07051 
1 1 1   17   20   12 o  114.472   4.2057  2009.91  146.943  2074.52  157.267  1565.68  412.361  116.265   4.4317   97.650   14.255 18.61478 14.92834 
1 1 1   17   20   13 o  235.133   5.4302  8510.12  389.713  8510.12  389.713   0.0000   0.0000  235.133   5.4302  ?   ?  0.000000 5.430166 
1 1 1   17   21    0 o   95.943   18.921  1620.06  492.766  1620.06  492.766  1620.06  492.766   95.943   18.921   95.943   18.921 0.000000 0.000000 
1 1 1   17   21    1 o  232.611   9.7399  8487.72  691.512  8682.69  1218.46  8395.08  839.873  227.809   17.662  229.432   12.035 -1.622696 21.37251 
1 1 1   17   21    2 o   82.883   12.067  1112.83  296.301  917.414  464.427  1246.98  384.785   72.052   20.267   86.504   15.124 -14.45216 25.28860 
1 1 1   17   21    3 o  194.984   10.509  6007.15  623.094  6827.41  922.174  5318.08  845.221  204.487   14.877  179.824   15.553 24.66382 21.52231 
1 1 1   17   21    4 o   68.520   10.651  756.187  215.521  848.980  453.236  729.074  244.991   69.413   20.183   66.632   12.505 2.780502 23.74357 
1 1 1   18    0    0 o  672.147   18.277 69574.10  3743.40 69574.10  3743.40 69574.10  3743.40  672.147   18.277  672.147   18.277 0.000000 0.000000 
1 1 1   18    0    1 o  173.826   11.113  4690.63  584.081  4690.63  584.081  4690.63  584.081  173.826   11.113  173.826   11.113 0.000000 0.000000 
1 1 1   18    0    2 o   91.692   4.0249  1291.32  112.149  1291.32  112.149  1291.32  112.149   91.692   4.0249   91.692   4.0249 0.000000 0.000000 
1 1 1   18    0    3 o  263.906   5.6278 10657.30  452.859 10657.30  452.859 10657.30  452.859  263.906   5.6278  263.906   5.6278 0.000000 0.000000 
1 1 1   18    0    4 f  431.790   18.996 29042.20  2492.52 29042.20  2492.52 29042.20  2492.52  431.790   18.996  431.790   18.996 0.000000 0.000000 
1 1 1   18    0    5 o  251.809   7.7511  9728.50  594.455  9728.50  594.455  9728.50  594.455  251.809   7.7511  251.809   7.7511 0.000000 0.000000 
1 1 1   18    0    6 o  144.906   16.930  3369.61  722.059  3369.61  722.059  3369.61  722.059  144.906   16.930  144.906   16.930 0.000000 0.000000 
1 1 1   18    0    7 o  215.589   7.0083  7130.38  460.059  7130.38  460.059  7130.38  460.059  215.589   7.0083  215.589   7.0083 0.000000 0.000000 
1 1 1   18    0    8 o  128.070   18.285  2683.60  672.562  2683.60  672.562  2683.60  672.562  128.070   18.285  128.070   18.285 0.000000 0.000000 
1 1 1   18    0    9 o  354.886   10.138 19352.81  1096.15 19352.81  1096.15 19352.81  1096.15  354.886   10.138  354.886   10.138 0.000000 0.000000 
1 1 1   18    0   10 o  193.320   15.989  5881.60  928.569  5881.60  928.569  5881.60  928.569  193.320   15.989  193.320   15.989 0.000000 0.000000 
1 1 1   18    0   11 o   55.876   24.786  700.978  446.310  700.978  446.310  700.978  446.310   55.876   24.786   55.876   24.786 0.000000 0.000000 
1 1 1   18    0   12 o  151.667   15.589  3657.18  704.187  3657.18  704.187  3657.18  704.187  151.667   15.589  151.667   15.589 0.000000 0.000000 
1 1 1   18    0   13 o  383.019   10.062 22538.64  1174.48 22538.64  1174.48 22538.64  1174.48  383.019   10.062  383.019   10.062 0.000000 0.000000 
1 1 1   18    0   14 o  473.673   20.768 35122.72  2989.39 35122.72  2989.39 35122.72  2989.39  473.673   20.768  473.673   20.768 0.000000 0.000000 
1 1 1   18    0   15 o   69.289   5.6152  748.096  116.960  748.096  116.960  748.096  116.960   69.289   5.6152   69.289   5.6152 0.000000 0.000000 
1 1 1   18    0   16 o  323.162   8.1008 16018.76  797.901 16018.76  797.901 16018.76  797.901  323.162   8.1008  323.162   8.1008 0.000000 0.000000 
1 1 1   18    0   17 o   31.885   12.424  213.539  115.351  213.539  115.351  213.539  115.351   31.885   12.424   31.885   12.424 0.000000 0.000000 
1 1 1   18    0   18 o  634.978   11.502 62011.74  2227.51 62011.74  2227.51 62011.74  2227.51  634.978   11.502  634.978   11.502 0.000000 0.000000 
1 1 1   18    0   19 f  229.836   12.557  8200.16  874.849  8200.16  874.849  8200.16  874.849  229.836   12.557  229.836   12.557 0.000000 0.000000 
1 1 1   18    0   20 o   42.032   20.522  405.160  310.789  405.160  310.789  405.160  310.789   42.032   20.522   42.032   20.522 0.000000 0.000000 
1 1 1   18    0   21 o  118.051   5.8634  2146.62  210.080  2146.62  210.080  2146.62  210.080  118.051   5.8634  118.051   5.8634 0.000000 0.000000 
1 1 1   18    0   22 o  355.645   16.368 19727.43  1768.18 19727.43  1768.18 19727.43  1768.18  355.645   16.368  355.645   16.368 0.000000 0.000000 
1 1 1   18    0   23 o  194.122   5.7002  5777.25  337.079  5777.25  337.079  5777.25  337.079  194.122   5.7002  194.122   5.7002 0.000000 0.000000 
1 1 1   18    0   24 o   80.368   5.4637  1001.16  132.603  1001.16  132.603  1001.16  132.603   80.368   5.4637   80.368   5.4637 0.000000 0.000000 
1 1 1   18    0   25 o   71.738   4.9341  797.740  106.863  797.740  106.863  797.740  106.863   71.738   4.9341   71.738   4.9341 0.000000 0.000000 
1 1 1   18    0   26 o  175.660   8.0307  4759.88  428.517  4759.88  428.517  4759.88  428.517  175.660   8.0307  175.660   8.0307 0.000000 0.000000 
1 1 1   18    0   27 o   18.956   11.555   49.155  126.007   49.155  126.007   49.155  126.007   18.956   11.555   18.956   11.555 0.000000 0.000000 
1 1 1   18    0   28 o  317.306   8.2277 15479.35  795.632 15479.35  795.632 15479.35  795.632  317.306   8.2277  317.306   8.2277 0.000000 0.000000 
1 1 1   18    0   29 o   71.173   5.8759  790.979  125.644  790.979  125.644  790.979  125.644   71.173   5.8759   71.173   5.8759 0.000000 0.000000 
1 1 1   18    0   30 o  514.757   7.9813 40703.38  1253.31 40703.38  1253.31 40703.38  1253.31  514.757   7.9813  514.757   7.9813 0.000000 0.000000 
1 1 1   18    0   31 o  147.375   4.9322  3333.69  221.299  3333.69  221.299  3333.69  221.299  147.375   4.9322  147.375   4.9322 0.000000 0.000000 
1 1 1   18    0   32 o  125.902   4.6272  2434.40  177.272  2434.40  177.272  2434.40  177.272  125.902   4.6272  125.902   4.6272 0.000000 0.000000 
1 1 1   18    0   33 o  256.833   4.8736 10105.15  381.734 10105.15  381.734 10105.15  381.734  256.833   4.8736  256.833   4.8736 0.000000 0.000000 
1 1 1   18    0   34 o  143.600   5.4685  3172.29  238.893  3172.29  238.893  3172.29  238.893  143.600   5.4685  143.600   5.4685 0.000000 0.000000 
1 1 1   18    0   35 o   44.952   27.602  358.263  730.914  358.263  730.914  358.263  730.914   44.952   27.602   44.952   27.602 0.000000 0.000000 
1 1 1   18    0   36 o   41.753   23.396  402.926  448.489  402.926  448.489  402.926  448.489   41.753   23.396   41.753   23.396 0.000000 0.000000 
1 1 1   18    0   37 f   82.522   6.6291  1065.99  164.493  1065.99  164.493  1065.99  164.493   82.522   6.6291   82.522   6.6291 0.000000 0.000000 
1 1 1   18    1    0 o   48.657   21.287  525.450  329.351  525.450  329.351  525.450  329.351   48.657   21.287   48.657   21.287 0.000000 0.000000 
1 1 1   18    1    1 o  122.994   3.8592  2310.88  144.875  2485.88  607.387  2300.32  149.181  125.566   16.228  122.709   3.9831 2.857422 16.70942 
1 1 1   18    1    2 o  267.747   6.6978 10972.62  547.359 10644.36  632.611 11950.26  1091.74  263.566   7.8638  278.331   12.851 -14.76511 15.06621 
1 1 1   18    1    3 o  216.269   5.9225  7154.39  390.942  6355.65  1079.71  7274.90  419.400  201.270   17.758  218.050   6.3017 -16.77991 18.84267 
1 1 1   18    1    4 o  259.158   6.9050 10281.96  546.193  9912.13  642.704 11243.51  1036.33  254.280   8.2810  270.028   12.574 -15.74832 15.05583 
1 1 1   18    1    5 o  289.865   4.8641 12842.71  430.345 11415.38  744.138 13559.96  527.504  272.776   8.9378  297.750   5.8044 -24.97382 10.65714 
1 1 1   18    1    6 o  176.891   9.1283  4814.33  491.165  3586.82  841.073  5449.58  605.054  150.489   18.715  187.976   10.589 -37.48662 21.50308 
1 1 1   18    1    7 o  234.747   5.1125  8424.55  366.314  8896.69  503.237  7892.44  534.245  241.068   6.8394  226.959   7.7122 14.10942 10.30797 
1 1 1   18    1    8 o  214.341   6.3643  7030.50  416.363  7106.44  449.152  6566.68  1110.10  215.451   6.8301  204.476   17.969 10.97505 19.22366 
1 1 1   18    1    9 o  287.129   8.1379 12638.80  713.196 12638.80  713.196   0.0000   0.0000  287.129   8.1379  ?   ?  0.000000 8.137936 
1 1 1   18    1   10 o  113.915   6.7283  1993.46  232.900  1993.46  232.900   0.0000   0.0000  113.915   6.7283  ?   ?  0.000000 6.728268 
1 1 1   18    1   11 o  359.158   9.0368 19798.90  990.643 18351.89  2384.82 20100.65  1089.05  339.753   23.135  361.688   9.8650 -21.93506 25.15043 
1 1 1   18    1   12 o  226.451   4.9805  7839.76  344.242  6150.29  467.983  9831.75  508.156  200.332   7.6536  253.428   6.5694 -53.09654 10.08633 
1 1 1   18    1   13 f   97.559   5.8023  1461.19  171.998  1423.29  181.734  1786.66  532.623   96.239   6.2201  105.836   17.069 -9.597084 18.16683 
1 1 1   18    1   14 o  246.519   6.8205  9306.33  513.198  9135.46  554.330 10331.25  1357.60  244.166   7.4382  256.769   17.426 -12.60291 18.94676 
1 1 1   18    1   15 o   61.292   5.9938  580.317  110.695  622.211  139.195  508.238  182.580   63.304   7.3402   56.507   10.982 6.796875 13.20891 
1 1 1   18    1   16 f  174.486   3.0837  4649.70  164.228  4493.98  237.607  4792.13  227.247  171.465   4.5401  177.082   4.2044 -5.616592 6.187866 
1 1 1   18    1   17 o  139.266   3.8703  2963.39  164.516  3103.22  234.838  2828.64  230.544  142.433   5.4018  135.977   5.5548 6.456329 7.748281 
1 1 1   18    1   18 o  172.159   4.2504  4529.87  223.347  5064.33  330.904  4082.64  302.698  181.904   5.9600  163.315   6.0725 18.58823 8.508591 
1 1 1   18    1   19 o  140.153   5.6535  3005.75  241.843  2984.23  249.532  3338.98  981.805  139.637   5.8548  143.113   23.276 -3.476746 24.00144 
1 1 1   18    1   20 o  340.923   9.6932 17882.00  1008.65 17706.61  1296.80 18150.61  1604.81  338.322   12.558  341.381   15.402 -3.058685 19.87257 
1 1 1   18    1   21 o   82.915   4.1082  1050.78  103.969  1155.86  215.011  1018.71  118.779   86.377   8.2559   81.477   4.7974 4.900131 9.548572 
1 1 1   18    1   22 o  302.692   8.3877 14074.24  774.925 13602.27  1224.30 14389.71  1000.95  296.027   13.550  305.431   10.737 -9.404816 17.28828 
1 1 1   18    1   23 o  229.824   4.3833  8075.84  307.482  7894.06  428.041  8269.65  441.983  227.015   6.1775  232.345   6.2324 -5.330170 8.775223 
1 1 1   18    1   24 o  271.818   7.3139 11336.89  606.801 11736.08  860.404 10941.87  855.907  275.854   10.219  266.270   10.531 9.584015 14.67441 
1 1 1   18    1   25 o  152.413   3.0308  3548.60  140.991  3694.42  176.016  3287.53  235.515  155.476   3.7091  146.556   5.2650 8.920059 6.440351 
1 1 1   18    1   26 o  243.673   4.9646  9086.57  369.242  8020.80  633.797  9634.16  454.301  228.196   9.0997  250.759   5.9357 -22.56322 10.86443 
1 1 1   18    1   27 o  121.367   3.3126  2250.88  122.710  2018.93  159.356  2588.77  192.337  114.878   4.5448  130.062   4.8450 -15.18409 6.643001 
1 1 1   18    1   28 o   49.822   5.8543  385.620   87.328  370.710   91.385  542.464  296.393   48.767   6.2857   57.817   16.166 -9.049770 17.34467 
1 1 1   18    1   29 o  114.047   3.1281  1987.59  108.889  1895.82  153.794  2079.83  154.191  111.303   4.5270  116.593   4.3328 -5.289833 6.266366 
1 1 1   18    1   30 o   95.526   2.9061  1394.32   84.733  1116.70  108.410  1830.18  135.836   85.434   4.1574  109.379   4.0688 -23.94469 5.817110 
1 1 1   18    1   31 o  283.515   5.5612 12326.27  481.242 12136.63  530.905 13200.04  1139.57  281.165   6.1864  290.375   12.858 -9.210114 14.26861 
1 1 1   18    1   32 o   80.168   3.5112  982.857   85.916  938.272  120.075  1029.63  122.984   78.079   5.0659   81.822   4.9478 -3.742928 7.081183 
1 1 1   18    1   33 f  180.667   4.0869  4996.42  225.366  4663.03  556.923  5061.70  246.445  172.734   10.615  181.793   4.4415 -9.059174 11.50647 
1 1 1   18    1   34 o  167.424   6.3371  4311.42  323.835  4283.87  340.889  4566.30  1036.81  166.812   6.6953  164.983   21.071 1.829208 22.10867 
1 1 1   18    1   35 o  224.383   4.3061  7713.55  294.915  7952.49  358.774  7215.70  517.870  227.639   5.1637  216.050   7.8533 11.58920 9.398767 
1 1 1   18    1   36 o   46.385   7.6301  341.021  104.268  328.489  445.633  341.747  107.245   51.541   19.929   46.388   7.8549 5.153481 21.42076 
1 1 1   18    1   37 o  204.621   4.6788  6423.21  292.212  7018.56  402.939  5762.77  424.397  213.480   6.1839  193.131   7.1995 20.34911 9.490748 
1 1 1   18    2    0 o  411.643   18.033 26355.73  2255.83 26355.73  2255.83 26355.73  2255.83  411.643   18.033  411.643   18.033 0.000000 0.000000 
1 1 1   18    2    1 o  298.665   4.9580 13635.05  451.971 13679.21  572.469 13561.98  736.427  299.003   6.2728  297.461   8.1112 1.541870 10.25370 
1 1 1   18    2    2 o  143.764   4.0483  3157.59  177.638  2530.03  260.679  3701.66  242.718  128.396   6.6748  155.608   5.1104 -27.21193 8.406479 
1 1 1   18    2    3 o  226.841   4.9572  7865.67  343.221  9151.21  1221.17  7755.41  357.637  242.135   16.624  225.227   5.2024 16.90776 17.41914 
1 1 1   18    2    4 o  283.305   4.7008 12266.79  406.482 12368.60  514.522 12097.73  663.011  284.355   5.9282  280.996   7.7304 3.359619 9.741861 
1 1 1   18    2    5 o  191.389   4.3666  5597.24  255.081  5458.48  274.522  6474.10  690.107  188.980   4.7593  204.837   11.079 -15.85800 12.05817 
1 1 1   18    2    6 o  324.685   5.2888 16118.55  524.132 15867.29  662.862 16537.71  856.158  321.956   6.7454  328.385   8.5419 -6.429810 10.88414 
1 1 1   18    2    7 o  178.411   8.0219  4878.85  436.834  4622.37  615.916  5138.45  619.655  172.843   11.745  182.390   11.185 -9.546463 16.21844 
1 1 1   18    2    8 o  150.706   3.2428  3468.63  149.164  3257.48  243.333  3595.73  188.797  145.951   5.4623  153.412   4.0320 -7.461395 6.789258 
1 1 1   18    2    9 o  207.207   5.9031  6568.08  373.336  6728.20  752.655  6515.82  429.958  208.630   11.869  206.297   6.8283 2.332443 13.69274 
1 1 1   18    2   10 o  228.641   5.0085  7992.03  349.524  7992.03  349.524   0.0000   0.0000  228.641   5.0085  ?   ?  0.000000 5.008475 
1 1 1   18    2   11 o  300.194   7.8252 13812.38  716.994 13812.38  716.994   0.0000   0.0000  300.194   7.8252  ?   ?  0.000000 7.825226 
1 1 1   18    2   12 o   48.323   5.0983  360.979   74.061  360.979   74.061   0.0000   0.0000   48.323   5.0983  ?   ?  0.000000 5.098327 
1 1 1   18    2   13 o  161.485   11.151  4034.46  546.244  4034.46  546.244   0.0000   0.0000  161.485   11.151  ?   ?  0.000000 11.15081 
1 1 1   18    2   14 o  538.242   9.5295 44511.64  1565.54 43432.69  2210.69 45597.09  2217.34  529.797   13.671  542.995   13.379 -13.19818 19.12830 
1 1 1   18    2   15 o  365.422   5.9767 20434.19  666.610 20631.86  1085.72 20314.59  844.536  366.372   9.7091  364.047   7.6005 2.325195 12.33020 
1 1 1   18    2   16 o  335.753   8.0340 17290.42  823.323 17126.19  948.621 17791.82  1657.55  333.868   9.3089  338.059   16.064 -4.190674 18.56644 
1 1 1   18    2   17 o  189.391   5.7442  5488.42  332.052  5732.40  1146.76  5466.09  346.913  189.812   20.100  188.981   6.0143 0.8312988 20.98023 
1 1 1   18    2   18 o  130.352   4.0959  2596.70  162.963  2397.35  708.617  2607.83  167.451  122.007   19.700  130.627   4.1999 -8.619339 20.14255 
1 1 1   18    2   19 o  120.476   4.2218  2218.42  155.245  2202.80  167.399  2314.43  414.994  120.036   4.5690  121.991   11.273 -1.954758 12.16372 
1 1 1   18    2   20 o   87.519   4.8528  1174.93  129.125  1082.60  312.339  1193.96  141.811   82.710   12.785   88.185   5.2931 -5.475655 13.83712 
1 1 1   18    2   21 o  251.101   4.1445  9637.41  317.640  9607.99  534.056  9653.52  395.126  250.359   6.9889  251.204   5.1534 -0.8452606 8.683399 
1 1 1   18    2   22 o  148.348   6.1787  3370.64  279.767  3434.71  362.474  3276.23  440.000  149.364   7.9797  145.508   9.9672 3.856491 12.76799 
1 1 1   18    2   23 o   88.065   3.3577  1184.89   90.253  1136.43  106.093  1311.80  171.692   86.225   4.0312   92.342   6.1264 -6.117126 7.333765 
1 1 1   18    2   24 o  225.858   6.5194  7818.95  449.430  8030.88  636.761  7608.57  634.426  228.421   9.1332  222.288   9.3508 6.132477 13.07107 
1 1 1   18    2   25 o  249.909   4.0358  9547.99  307.843  9775.76  348.288  8734.62  658.172  252.817   4.5135  238.188   9.0532 14.62889 10.11596 
1 1 1   18    2   26 o  106.597   3.0769  1735.97  100.109  1611.44  125.929  1949.81  165.016  102.663   4.0188  112.885   4.7893 -10.22189 6.252032 
1 1 1   18    2   27 o   83.520   3.9502  1066.56  100.700  983.710  124.112  1226.19  172.273   79.999   5.1096   89.195   6.3698 -9.196045 8.165897 
1 1 1   18    2   28 o  110.677   3.9839  1873.19  134.581  1860.59  152.523  1917.49  286.000  110.271   4.5316  111.265   8.4855 -0.9942169 9.619728 
1 1 1   18    2   29 f  239.545   2.9982  8767.89  219.210  8856.71  301.052  8667.64  319.819  240.627   4.0990  238.003   4.4025 2.624176 6.015348 
1 1 1   18    2   30 o   92.598   3.2990  1310.64   93.240  1285.43  126.169  1340.98  138.401   91.639   4.5108   93.450   4.8691 -1.810493 6.637424 
1 1 1   18    2   31 o   87.150   4.3201  1162.52  114.915  1137.72  132.667  1237.04  229.961   86.019   5.0756   89.120   8.5592 -3.101845 9.950966 
1 1 1   18    2   32 o   64.816   3.6029  644.533   70.997  678.214  109.808  620.340   93.065   66.271   5.4778   63.446   4.8423 2.824669 7.311261 
1 1 1   18    2   33 o  198.687   4.5528  6047.59  276.096  5537.94  977.920  6091.73  287.805  184.623   17.566  199.381   4.7293 -14.75792 18.19130 
1 1 1   18    2   34 o  179.255   5.2911  4930.96  289.490  4913.31  945.256  4932.79  304.102  173.098   18.162  179.236   5.5587 -6.138351 18.99351 
1 1 1   18    2   35 o   27.945   7.7638  124.261   68.593  182.247  101.795   76.036   92.832   33.764   9.4856   24.915   9.2150 8.848770 13.22464 
1 1 1   18    2   36 o   79.479   3.5722  966.813   86.658  961.587  121.967  972.141  123.146   78.986   5.0862   79.416   5.1074 -0.4307632 7.208011 
1 1 1   18    2   37 o  122.636   4.3672  2305.76  163.469  2303.56  168.902  2338.24  649.703  122.558   4.5152  117.833   18.688 4.724617 19.22612 
1 1 1   18    3    0 o   83.516   20.133  1246.45  444.973  1246.45  444.973  1246.45  444.973   83.516   20.133   83.516   20.133 0.000000 0.000000 
1 1 1   18    3    1 o  189.108   4.4655  5464.92  257.747  4923.20  383.628  5910.66  347.992  179.317   7.0093  196.580   5.7998 -17.26306 9.097675 
1 1 1   18    3    2 o  360.314   8.5549 19909.71  940.836 19805.98  1116.57 20163.68  1747.08  359.009   10.190  360.469   15.879 -1.460083 18.86741 
1 1 1   18    3    3 o  188.710   4.7896  5443.06  275.872  3193.66  860.533  5700.72  291.244  141.333   20.550  193.115   4.9411 -51.78201 21.13597 
1 1 1   18    3    4 o  231.712   4.0313  8202.76  285.110  8661.62  469.749  7935.14  358.743  237.901   6.4692  227.822   5.1591 10.07887 8.274467 
1 1 1   18    3    5 o  203.146   5.5530  6311.13  344.310  7264.20  726.249  6034.80  391.051  217.015   11.000  198.577   6.4519 18.43854 12.75270 
1 1 1   18    3    6 o  112.381   4.5370  1930.11  155.624  1924.63  170.495  1957.43  381.008  112.206   4.9783  112.219   11.276 -0.1338196E-01 12.32633 
1 1 1   18    3    7 o  217.567   5.8302  7240.73  387.165  8618.11  810.227  6833.16  440.740  236.617   11.219  211.263   6.8351 25.35469 13.13688 
1 1 1   18    3    8 o   99.664   4.8903  1518.38  148.760  1971.84  386.742  1439.64  161.159  112.601   11.410   96.871   5.4730 15.72984 12.65505 
1 1 1   18    3    9 o  215.134   4.3741  7072.72  287.217  7326.57  393.846  6784.35  419.764  218.841   5.8963  210.530   6.5324 8.311569 8.799948 
1 1 1   18    3   10 o  221.384   7.5384  7509.72  509.383  7361.15  660.910  7727.11  799.457  218.866   9.8934  223.625   11.754 -4.758575 15.36344 
1 1 1   18    3   11 o  147.584   5.2746  3330.67  237.599  3191.34  247.605  4950.69  844.307  144.445   5.6162  177.884   15.712 -33.43889 16.68570 
1 1 1   18    3   12 o  185.903   8.4454  5301.68  479.208  5262.52  543.949  5437.44  1012.79  184.818   9.6763  185.735   18.095 -0.9170227 20.51986 
1 1 1   18    3   13 o  111.223   3.3304  1889.43  113.059  1881.81  115.762  2047.01  526.206  110.996   3.4170  113.802   15.557 -2.806389 15.92744 
1 1 1   18    3   14 o  133.790   5.9780  2739.11  244.115  2739.11  244.115   0.0000   0.0000  133.790   5.9780  ?   ?  0.000000 5.977955 
1 1 1   18    3   15 o  151.506   18.602  3645.84  842.163  3645.84  842.163   0.0000   0.0000  151.506   18.602  ?   ?  0.000000 18.60243 
1 1 1   18    3   16 o  446.232   12.516 30765.65  1704.72 30765.65  1704.72   0.0000   0.0000  446.232   12.516  ?   ?  0.000000 12.51631 
1 1 1   18    3   17 o  293.245   11.376 13261.52  1018.19 13218.89  1217.24 13360.86  1857.99  292.104   13.653  289.978   21.138 2.125885 25.16365 
1 1 1   18    3   18 o  338.079   6.7811 17510.14  699.742 18803.67  993.760 16238.11  985.462  349.752   9.3090  324.854   9.9388 24.89798 13.61757 
1 1 1   18    3   19 o  175.031   4.0724  4682.07  217.562  5060.29  313.183  4329.31  302.455  181.844   5.6426  168.177   5.8922 13.66705 8.158269 
1 1 1   18    3   20 o   61.464   10.982  599.798  198.467  520.256  256.737  717.918  312.862   56.789   14.698   66.567   15.660 -9.778179 21.47735 
1 1 1   18    3   21 o  278.255   4.4914 11838.08  381.456 12193.46  640.467 11642.71  474.867  281.943   7.4425  275.801   5.6410 6.141876 9.338736 
1 1 1   18    3   22 o   56.258   4.3507  486.773   74.126  459.732   99.441  520.588  111.202   54.453   6.0873   57.944   6.3942 -3.490368 8.828382 
1 1 1   18    3   23 o  172.442   4.0978  4545.72  215.683  4630.36  299.553  4454.60  310.800  173.909   5.6433  170.544   5.9707 3.364899 8.215636 
1 1 1   18    3   24 o  156.775   7.6998  3774.29  368.446  3472.04  476.673  4222.89  580.722  149.615   10.505  164.791   11.620 -15.17542 15.66456 
1 1 1   18    3   25 o  115.907   3.2697  2052.67  115.673  2083.09  172.968  2028.06  155.581  116.680   4.8568  115.154   4.4265 1.526276 6.571353 
1 1 1   18    3   26 o   94.811   2.9394  1373.23   85.061  1398.49  123.447  1350.39  117.372   95.628   4.2294   93.975   4.0920 1.652863 5.884895 
1 1 1   18    3   27 f  172.560   4.2550  4554.44  224.109  4475.15  247.533  4914.94  527.784  171.005   4.7425  178.164   9.7425 -7.158432 10.83544 
1 1 1   18    3   28 o  169.076   3.5617  4369.88  183.801  4582.60  246.048  4101.30  276.474  173.040   4.6586  163.605   5.5366 9.434738 7.235757 
1 1 1   18    3   29 o   58.726   5.7499  533.758  101.744  576.272  147.662  495.329  140.388   60.632   8.1884   56.082   8.4649 4.550468 11.77733 
1 1 1   18    3   30 o   42.633   8.0959  289.195  101.496  270.758  138.793  310.388  148.804   41.032   10.898   43.855   11.105 -2.822563 15.55950 
1 1 1   18    3   31 o  164.715   3.6806  4149.66  185.043  4056.44  274.948  4226.84  250.182  162.629   5.5391  166.094   4.9350 -3.465744 7.418559 
1 1 1   18    3   32 o  173.271   3.8442  4593.69  203.307  4957.12  325.211  4360.53  260.483  179.674   5.9301  168.657   5.0601 11.01773 7.795561 
1 1 1   18    3   33 f  123.836   3.7296  2346.51  140.969  2375.54  251.280  2333.17  170.290  124.071   6.6598  123.408   4.5209 0.6626816 8.049342 
1 1 1   18    3   34 o   32.448   11.102  152.289  132.275  152.289  132.275   0.0000   0.0000   32.448   11.102  ?   ?  0.000000 11.10241 
1 1 1   18    3   35 o  114.295   13.229  2093.23  452.984  2203.46  519.339  1742.66  926.170  116.565   14.941   96.704   29.044 19.86096 32.66171 
1 1 1   18    3   36 o   80.876   3.5629  1001.15   87.951  916.388  123.073  1089.60  125.733   77.068   5.2636   84.121   4.9184 -7.052887 7.203879 
1 1 1   18    3   37 o   69.848   5.6760  755.277  119.963  956.668  166.102  535.696  173.441   78.401   7.0154   57.716   10.220 20.68481 12.39576 
1 1 1   18    4    0 f  271.909   20.170 11659.98  1652.83 11659.98  1652.83 11659.98  1652.83  271.909   20.170  271.909   20.170 0.000000 0.000000 
1 1 1   18    4    1 o  179.873   5.6039  4948.14  307.660  4610.03  1001.54  4983.37  323.291  170.566   19.594  180.493   5.8683 -9.926941 20.45366 
1 1 1   18    4    2 o  363.738   5.9770 20240.36  663.574 19965.25  840.105 20696.73  1082.02  360.983   7.6248  367.101   9.6568 -6.117157 12.30412 
1 1 1   18    4    3 o  259.091   5.9232 10269.04  468.411  9897.41  1237.83 10331.15  506.041  251.932   16.183  259.824   6.3810 -7.891602 17.39583 
1 1 1   18    4    4 f  165.098   5.1107  4167.24  257.537  4410.06  700.172  4129.25  276.952  168.367   13.745  164.319   5.5220 4.048065 14.81247 
1 1 1   18    4    5 o  173.355   5.2239  4594.88  276.406  5474.78  603.535  4361.34  310.931  188.397   10.538  168.839   6.0336 19.55830 12.14297 
1 1 1   18    4    6 o  154.079   3.9590  3626.96  186.185  3851.52  271.753  3428.31  255.599  158.690   5.6106  149.719   5.5933 8.971100 7.922332 
1 1 1   18    4    7 o  149.031   2.8695  3391.48  130.526  3631.46  155.740  2825.03  239.273  154.199   3.3090  135.898   5.7685 18.30049 6.650214 
1 1 1   18    4    8 o  111.854   3.6230  1911.15  123.692  1922.87  129.895  1797.09  405.126  112.192   3.7933  107.200   12.624 4.992104 13.18122 
1 1 1   18    4    9 o   81.052   3.4767  1003.43   86.009  998.181   88.593  1089.48  358.740   80.837   3.5906   82.662   14.760 -1.824341 15.19068 
1 1 1   18    4   10 o  168.143   3.0759  4317.61  157.858  4408.96  187.006  4091.16  294.436  169.891   3.6064  163.525   5.8992 6.366287 6.914181 
1 1 1   18    4   11 o   86.954   9.5705  1175.39  249.799  1180.83  264.822  1131.48  752.377   87.057   10.157   84.023   26.358 3.033783 28.24713 
1 1 1   18    4   12 o  159.507   5.4069  3891.26  263.237  3868.76  274.990  4137.75  910.122  159.028   5.6654  161.540   18.811 -2.512375 19.64561 
1 1 1   18    4   13 o  238.992   6.5992  8745.58  481.381  8769.05  516.151  8588.78  1334.13  239.255   7.0680  233.388   18.891 5.866867 20.16952 
1 1 1   18    4   14 o  207.568   4.4129  6585.13  279.575  7407.44  404.356  5832.00  386.974  220.004   6.0217  195.167   6.4962 24.83734 8.857800 
1 1 1   18    4   15 o  163.721   4.0580  4096.03  202.784  4135.35  288.283  4057.52  285.301  164.398   5.7452  162.844   5.7400 1.554016 8.121305 
1 1 1   18    4   16 o  292.069   8.2207 13089.85  732.846 12791.41  800.166 14642.88  1825.36  288.547   9.0855  304.395   19.754 -15.84790 21.74288 
1 1 1   18    4   17 o  110.426   3.9659  1863.35  133.669  1752.85  180.489  1997.58  198.927  106.891   5.5512  114.254   5.7043 -7.362679 7.959637 
1 1 1   18    4   18 o  155.950   12.635  3785.91  596.231  3785.91  596.231   0.0000   0.0000  155.950   12.635  ?   ?  0.000000 12.63460 
1 1 1   18    4   19 o  226.657   5.8272  7863.70  403.130  6172.10  884.520  8307.20  452.903  198.706   14.688  232.893   6.3714 -34.18628 16.01053 
1 1 1   18    4   20 o  196.122   5.2850  5885.01  316.364  5651.27  644.078  5959.33  363.198  191.049   11.093  197.280   6.0317 -6.231400 12.62686 
1 1 1   18    4   21 o  204.087   3.7984  6365.21  236.610  6447.29  370.664  6308.77  307.384  205.199   5.9182  203.083   4.9590 2.116028 7.721175 
1 1 1   18    4   22 o  173.665   4.4504  4611.67  235.902  3690.92  447.223  4966.62  277.673  154.538   9.5278  180.174   5.0492 -25.63525 10.78305 
1 1 1   18    4   23 o  110.506   6.6273  1878.68  222.499  1878.68  222.499   0.0000   0.0000  110.506   6.6273  ?   ?  0.000000 6.627318 
1 1 1   18    4   24 o  173.649   4.9403  4613.96  261.843  4445.99  276.546  6068.83  813.883  170.423   5.3164  197.011   13.618 -26.58769 14.61941 
1 1 1   18    4   25 o  117.996   3.3888  2127.60  122.050  2331.11  208.057  2020.82  150.704  123.378   5.5250  114.952   4.2953 8.425613 6.998198 
1 1 1   18    4   26 o   29.804   8.6929  139.333   83.959  183.003  115.131   89.729  122.703   34.221   10.232   28.034   10.549 6.187653 14.69613 
1 1 1   18    4   27 o  226.246   4.4564  7831.50  307.736  7840.33  480.715  7825.36  400.573  225.962   6.9700  225.958   5.8081 0.3509521E-02 9.072815 
1 1 1   18    4   28 o  112.089   6.2853  1933.62  214.166  1652.79  753.334  1958.31  223.383   98.153   25.059  112.769   6.5178 -14.61636 25.89315 
1 1 1   18    4   29 o  138.092   4.2120  2917.72  177.532  2869.58  192.289  3195.76  462.101  136.914   4.6014  143.157   10.652 -6.242706 11.60328 
1 1 1   18    4   30 o   69.908   5.7814  754.772  122.253  988.264  164.163  464.050  183.180   79.901   6.7960   53.601   11.538 26.29974 13.39083 
1 1 1   18    4   31 o   58.494   4.9404  528.009   87.380  545.856  678.762  527.708   88.113   64.352   24.670   58.471   4.9848 5.880867 25.16886 
1 1 1   18    4   32 o  107.785   4.4115  1779.23  145.131  1667.60  744.154  1783.65  147.973   97.399   24.927  107.911   4.4926 -10.51243 25.32908 
1 1 1   18    4   33 o   96.911   3.7804  1437.28  111.823  1571.76  199.366  1375.55  135.070  100.864   6.5106   94.738   4.6711 6.126289 8.012976 
1 1 1   18    4   34 o  107.436   3.7999  1766.82  124.606  1839.06  142.715  1535.12  255.592  109.567   4.2675   99.196   8.5246 10.37111 9.533140 
1 1 1   18    4   35 f   54.789   5.6103  466.049   92.498  505.270  111.776  380.835  164.757   56.903   6.5556   48.332   11.360 8.570961 13.11614 
1 1 1   18    4   36 o  155.611   3.4877  3706.11  165.653  4025.93  252.836  3465.58  219.270  161.918   5.1159  150.287   4.7801 11.63145 7.001613 
1 1 1   18    5    0 o   45.284   25.482  435.090  535.050  435.090  535.050  435.090  535.050   45.284   25.482   45.284   25.482 0.000000 0.000000 
1 1 1   18    5    1 o  113.633   5.9918  1980.98  207.082  2226.98  637.007  1951.92  218.976  118.155   18.252  112.754   6.3891 5.401176 19.33752 
1 1 1   18    5    2 o  143.192   8.2215  3154.08  357.816  3247.42  482.577  3040.11  533.269  144.857   10.997  139.814   12.633 5.043564 16.74850 
1 1 1   18    5    3 o  221.753   9.7198  7554.16  657.877  7505.10  1085.40  7582.65  827.125  219.149   16.344  221.407   12.288 -2.258331 20.44823 
1 1 1   18    5    4 o  123.769   9.7871  2367.92  366.711  2138.35  528.178  2581.56  509.539  116.490   15.219  128.634   13.163 -12.14378 20.12174 
1 1 1   18    5    5 o  216.186   9.1126  7174.32  601.293  7228.10  987.855  7142.67  757.858  215.393   15.122  215.018   11.591 0.3747711 19.05288 
1 1 1   18    5    6 o   59.229   11.876  559.625  207.215  589.740  283.587  525.128  303.519   60.505   15.336   57.421   16.465 3.083775 22.50096 
1 1 1   18    5    7 o   82.922   3.4980  1050.29   88.533  1112.21  123.501  984.826  126.979   85.166   4.7702   80.084   5.2234 5.082825 7.073820 
1 1 1   18    5    8 o   98.217   4.0054  1473.88  120.072  1551.25  188.876  1421.40  155.551  100.492   6.1879   96.264   5.3147 4.227867 8.156981 
1 1 1   18    5    9 o  174.817   4.2120  4670.05  224.743  4601.92  314.040  4741.56  321.771  173.427   5.9327  176.034   5.9887 -2.607239 8.429794 
1 1 1   18    5   10 o  298.814   6.8137 13673.70  621.440 15004.28  1086.38 13026.54  757.640  312.049   11.406  291.375   8.5191 20.67441 14.23640 
1 1 1   18    5   11 f  239.533   4.2018  8767.88  307.198  8909.59  390.831  8538.80  496.916  241.365   5.3051  236.117   6.8951 5.248184 8.699806 
1 1 1   18    5   12 o  207.501   4.8310  6582.69  305.965  6541.84  317.472  7115.76  1146.86  206.840   5.0287  212.659   17.834 -5.818878 18.52894 
1 1 1   18    5   13 o  229.151   8.2247  8056.03  575.249  7793.13  653.422  8961.79  1212.84  225.182   9.5070  239.182   16.719 -14.00050 19.23260 
1 1 1   18    5   14 o  192.846   3.9495  5682.62  232.470  5832.53  323.841  5523.23  333.915  195.265   5.4336  189.989   5.7582 5.275513 7.917176 
1 1 1   18    5   15 o  154.490   3.1607  3645.38  149.040  3929.89  189.689  3186.39  240.932  160.373   3.8752  144.320   5.4695 16.05272 6.703219 
1 1 1   18    5   16 o   59.164   4.8609  538.851   87.003  412.355  173.908  581.080  100.481   50.711   11.500   61.393   5.4178 -10.68167 12.71260 
1 1 1   18    5   17 o   82.332   4.2431  1038.82  106.265  777.766  227.266  1111.87  120.215   70.216   10.962   85.151   4.6430 -14.93446 11.90517 
1 1 1   18    5   18 o   96.682   8.9073  1448.47  259.897  1290.98  280.185  2419.32  695.656   90.989   10.268  122.592   19.224 -31.60302 21.79433 
1 1 1   18    5   19 o   44.168   10.102  312.353  133.234  312.353  133.234   0.0000   0.0000   44.168   10.102  ?   ?  0.000000 10.10244 
1 1 1   18    5   20 o  259.210   8.0118 10316.29  633.867 10316.29  633.867   0.0000   0.0000  259.210   8.0118  ?   ?  0.000000 8.011768 
1 1 1   18    5   22 o  178.182   5.8367  4862.16  317.431  5293.56  990.522  4812.79  335.104  182.434   18.024  177.236   6.1946 5.197433 19.05906 
1 1 1   18    5   23 f  173.018   3.4995  4574.45  184.805  4857.78  240.683  4167.44  288.468  178.226   4.4244  164.961   5.7293 13.26549 7.238806 
1 1 1   18    5   24 o  124.831   4.5678  2383.68  174.039  2455.23  246.876  2312.99  245.387  126.386   6.4208  122.638   6.5795 3.747643 9.193339 
1 1 1   18    5   25 o  212.685   5.8815  6931.59  381.805  6978.17  438.742  6786.25  774.997  213.262   6.7403  208.700   12.220 4.562439 13.95535 
1 1 1   18    5   26 o   45.738   5.6777  325.417   77.559  479.036  167.494  283.488   87.505   54.782   10.397   42.420   7.0028 12.36219 12.53581 
1 1 1   18    5   27 o   82.444   4.5850  1043.40  114.919  973.631  201.465  1077.05  139.914   79.056   8.4817   83.660   5.5101 -4.604233 10.11441 
1 1 1   18    5   28 o  132.764   3.8731  2695.68  156.949  2859.43  806.929  2689.25  160.005  131.605   20.778  132.599   3.9534 -0.9940948 21.15074 
1 1 1   18    5   29 o  159.911   5.1220  3918.12  249.997  3846.14  305.391  4064.34  435.275  158.271   6.3217  162.000   8.8364 -3.728973 10.86492 
1 1 1   18    5   30 o  120.136   3.5240  2207.09  129.218  2056.27  236.183  2271.51  154.371  115.457   6.7313  121.829   4.1514 -6.372421 7.908543 
1 1 1   18    5   31 o  246.763   4.8017  9330.58  361.650  9332.10  566.010  9329.53  470.132  246.056   7.5366  246.404   6.2511 -0.3472137 9.791623 
1 1 1   18    5   32 f  128.909   5.3580  2549.79  210.814  2591.52  816.102  2546.80  218.221  123.079   22.555  128.808   5.5506 -5.728142 23.22822 
1 1 1   18    5   33 o   66.434   7.5427  689.737  150.233  706.621  162.806  592.915  389.868   67.132   8.1099   60.130   18.989 7.001991 20.64857 
1 1 1   18    5   34 o  193.400   6.0061  5752.79  354.540  5550.75  399.184  6507.52  771.532  189.740   6.8928  202.731   12.530 -12.99068 14.30076 
1 1 1   18    5   35 o  301.230   6.3967 13978.54  588.131 13978.54  588.131   0.0000   0.0000  301.230   6.3967  ?   ?  0.000000 6.396750 
1 1 1   18    5   36 o  201.124   4.7038  6206.68  288.753  6091.67  404.190  6326.57  412.658  198.713   6.6641  202.504   6.6764 -3.791000 9.433119 
1 1 1   18    6    0 o  401.448   25.929 25630.91  3146.77 25630.91  3146.77 25630.91  3146.77  401.448   25.929  401.448   25.929 0.000000 0.000000 
1 1 1   18    6    1 o  343.826   9.1952 18150.73  964.982 17881.08  1058.56 19476.75  2347.41  341.033   10.170  350.555   22.051 -9.521362 24.28340 
1 1 1   18    6    2 o  318.754   10.446 15627.71  1016.34 15599.97  1436.01 15655.56  1438.65  317.218   14.831  317.783   14.832 -0.5644226 20.97537 
1 1 1   18    6    3 o  179.643   5.1084  4934.28  280.099  4321.88  553.920  5144.66  324.665  167.219   10.913  183.383   5.8004 -16.16301 12.35845 
1 1 1   18    6    4 o  262.942   6.6337 10584.97  532.393  9703.38  1338.62 10750.63  580.260  248.741   17.748  264.919   7.1762 -16.17867 19.14402 
1 1 1   18    6    5 o  173.822   4.0009  4616.39  212.265  3891.83  282.452  5556.59  321.749  159.496   5.8020  190.602   5.5306 -31.10516 8.015671 
1 1 1   18    6    6 o  314.898   9.0325 15223.89  868.149 14212.22  1111.80 16804.45  1389.67  303.564   11.999  329.527   13.817 -25.96326 18.29986 
1 1 1   18    6    7 o   98.802   3.6857  1491.26  111.148  1500.82  116.902  1401.26  358.708   99.113   3.8643   94.426   12.774 4.686554 13.34566 
1 1 1   18    6    8 o  115.116   4.0461  2024.83  142.164  2033.12  151.645  1964.64  408.460  115.342   4.3075  112.214   12.118 3.127838 12.86093 
1 1 1   18    6    9 o  175.003   4.7132  4681.80  251.753  4725.09  278.951  4491.71  584.536  175.779   5.1993  170.370   11.305 5.408676 12.44340 
1 1 1   18    6   10 o  164.059   5.2048  4116.17  260.628  4146.57  293.914  4004.28  563.826  164.619   5.8496  160.753   11.569 3.865417 12.96342 
1 1 1   18    6   11 o  213.000   5.9142  6942.78  384.499  6872.53  442.892  7157.73  774.739  211.821   6.8503  215.075   11.848 -3.253494 13.68541 
1 1 1   18    6   12 o  155.403   5.3020  3693.83  251.487  3640.23  262.640  4284.95  872.255  154.253   5.5784  164.672   17.628 -10.41902 18.48969 
1 1 1   18    6   13 o   29.302   8.9381  132.211   87.216  132.211   87.216   0.0000   0.0000   29.302   8.9381  ?   ?  0.000000 8.938076 
1 1 1   18    6   14 o  404.628   6.7443 25080.35  832.934 27023.41  1092.50 22383.03  1287.20  419.537   8.5317  381.042   11.068 38.49545 13.97433 
1 1 1   18    6   15 o  464.519   6.6042 33052.07  936.357 34187.75  1130.11 30565.17  1672.33  472.076   7.8432  444.673   12.322 27.40219 14.60600 
1 1 1   18    6   16 o  180.965   5.3545  5010.27  295.756  4725.77  693.418  5073.54  326.990  174.195   13.139  182.057   5.8845 -7.862228 14.39621 
1 1 1   18    6   17 o   25.173   7.1971   99.429   58.074   89.269   88.801  107.021   76.765   25.767   9.0807   26.622   8.4282 -0.8548145 12.38924 
1 1 1   18    6   18 o  200.297   4.6828  6134.99  286.284  6109.03  410.851  6159.50  399.136  199.657   6.7419  200.507   6.5219 -0.8499146 9.380240 
1 1 1   18    6   19 o  276.877   5.5265 11733.43  467.040 12462.91  641.351 10909.85  681.461  285.032   7.3720  266.481   8.3783 18.55051 11.15986 
1 1 1   18    6   21 o   80.285   24.612  1056.12  660.309  1056.12  660.309   0.0000   0.0000   80.285   24.612  ?   ?  0.000000 24.61227 
1 1 1   18    6   22 o   49.707   10.558  395.744  155.245  395.744  155.245   0.0000   0.0000   49.707   10.558  ?   ?  0.000000 10.55841 
1 1 1   18    6   23 o  181.241   6.6097  5037.61  365.645  5037.61  365.645   0.0000   0.0000  181.241   6.6097  ?   ?  0.000000 6.609750 
1 1 1   18    6   24 o  157.639   6.0195  3808.59  289.626  3808.59  289.626   0.0000   0.0000  157.639   6.0195  ?   ?  0.000000 6.019452 
1 1 1   18    6   25 o  191.286   4.6625  5599.23  272.220  5194.40  362.155  6125.05  412.740  184.015   6.4480  199.768   6.7691 -15.75327 9.348666 
1 1 1   18    6   26 f   84.080   4.2016  1081.38  107.825  1066.82  184.704  1088.91  132.803   82.992   7.3682   84.161   5.1953 -1.169128 9.015588 
1 1 1   18    6   27 o   65.691   6.3651  668.405  126.021  798.265  173.121  522.033  183.799   71.557   8.0673   57.093   10.946 14.46395 13.59740 
1 1 1   18    6   28 o  116.847   5.6957  2093.78  203.133  2103.13  227.475  2056.98  451.331  116.861   6.4018  113.908   13.228 2.953529 14.69550 
1 1 1   18    6   29 o   66.468   4.1878  678.799   84.525  572.920  169.845  713.654   97.449   60.117   9.5777   68.100   4.7174 -7.983051 10.67642 
1 1 1   18    6   30 o  108.821   5.0381  1815.16  167.339  1960.01  764.961  1807.88  171.493  106.314   24.127  108.590   5.1742 -2.274979 24.67518 
1 1 1   18    6   31 o   53.704   4.9738  445.898   80.603  533.812  164.247  418.008   92.509   57.913   9.6301   51.831   5.9558 6.081615 11.32296 
1 1 1   18    6   32 o  155.141   2.9463  3679.51  139.513  3859.96  208.661  3533.63  187.616  158.744   4.3065  151.919   4.0461 6.825699 5.909088 
1 1 1   18    6   33 o   92.742   5.3411  1324.86  150.550  1271.96  192.368  1408.47  241.845   90.559   7.0143   94.998   8.4283 -4.438766 10.96523 
1 1 1   18    6   34 o   44.626   8.8752  319.764  116.634  321.659  158.790  317.544  171.877   44.426   11.589   44.192   12.294 0.2334442 16.89520 
1 1 1   18    6   35 o   31.961   11.144  145.096  133.542   14.074  463.794  156.941  139.448   43.674   18.905   32.987   11.394 10.68724 22.07360 
1 1 1   18    7    0 o  103.816   12.050  1720.63  368.420  1720.63  368.420  1720.63  368.420  103.816   12.050  103.816   12.050 0.000000 0.000000 
1 1 1   18    7    1 o  105.637   3.5243  1704.61  113.633  1710.89  116.913  1597.37  483.120  105.829   3.6194  100.087   16.382 5.742599 16.77670 
1 1 1   18    7    2 o  222.324   9.1194  7590.19  618.825  7395.71  752.891  7995.16  1086.44  218.809   11.312  226.251   15.832 -7.442200 19.45826 
1 1 1   18    7    3 f  138.285   5.1099  2924.08  215.677  2773.53  242.670  3490.07  470.537  134.634   5.9053  150.279   10.321 -15.64476 11.89096 
1 1 1   18    7    4 o  146.100   8.6460  3287.16  383.835  3212.01  473.615  3430.98  655.205  144.039   10.852  148.046   14.694 -4.006714 18.26717 
1 1 1   18    7    5 o  157.735   8.3497  3827.64  400.559  3370.75  490.689  4740.23  693.488  147.548   10.974  174.632   13.106 -27.08458 17.09407 
1 1 1   18    7    6 o  315.783   5.6879 15255.97  548.221 14757.88  719.677 15944.58  846.201  310.285   7.5991  322.319   8.6014 -12.03458 11.47738 
1 1 1   18    7    7 o  190.655   3.5953  5552.85  209.216  5144.05  327.896  5833.56  271.713  183.351   5.8592  195.355   4.5569 -12.00404 7.422600 
1 1 1   18    7    8 o  270.356   4.1559 11169.77  342.939 10722.35  535.408 11481.04  446.569  264.610   6.6292  273.977   5.3402 -9.366333 8.512587 
1 1 1   18    7    9 o  113.658   3.9462  1973.89  136.898  2429.03  886.580  1962.77  138.560  121.275   24.788  113.335   4.0055 7.939438 25.10976 
1 1 1   18    7   10 o  109.913   3.9818  1846.04  133.580  2083.94  524.067  1829.51  138.143  114.820   15.337  109.415   4.1365 5.405212 15.88527 
1 1 1   18    7   11 o  300.706   4.6458 13824.06  426.405 13357.43  692.088 14109.56  541.359  295.137   7.6828  303.640   5.8413 -8.502960 9.651235 
1 1 1   18    7   12 o   82.040   5.2821  1033.78  131.562  873.810  164.604  1316.73  218.913   75.158   7.2661   92.323   7.8428 -17.16565 10.69143 
1 1 1   18    7   13 o  191.481   5.2989  5608.82  309.692  5758.56  524.518  5528.68  383.716  193.605   8.8762  189.982   6.6173 3.623199 11.07137 
1 1 1   18    7   14 o  135.261   2.9264  2794.17  120.816  2562.05  190.262  2951.01  156.394  129.439   4.8158  138.975   3.6869 -9.536118 6.065135 
1 1 1   18    7   15 o  309.022   6.8308 14633.96  644.284 13764.44  1198.98 14986.98  763.955  298.029   13.181  312.485   8.0098 -14.45584 15.42359 
1 1 1   18    7   16 o  211.086   6.7545  6828.27  435.181   0.0000   0.0000  6828.27  435.181  ?   ?   211.086   6.7545 0.000000 6.754508 
1 1 1   18    7   17 o  192.635   4.6620  5674.73  274.109  5767.41  404.699  5596.18  372.585  193.975   6.8355  191.127   6.3869 2.848083 9.354994 
1 1 1   18    7   18 o  215.567   4.9662  7108.67  326.752  6694.52  467.716  7503.51  456.677  208.899   7.3355  221.247   6.7626 -12.34840 9.977098 
1 1 1   18    7   19 o  157.106   5.4848  3778.16  263.010  4012.25  873.141  3754.80  275.821  158.526   18.387  156.594   5.7708 1.931915 19.27117 
1 1 1   18    7   20 o   68.028   3.9525  709.784   81.714  751.818  119.177  672.491  112.256   69.847   5.6382   66.036   5.6230 3.811119 7.962904 
1 1 1   18    7   21 o  151.742   3.5194  3518.68  163.003  3462.68  207.546  3608.84  263.328  150.464   4.5192  153.514   5.6199 -3.050110 7.211607 
1 1 1   18    7   22 o  168.854   18.526  4567.36  939.101  4567.36  939.101   0.0000   0.0000  168.854   18.526  ?   ?  0.000000 18.52584 
1 1 1   18    7   23 o  190.083   6.7568  5544.04  392.016  5544.04  392.016   0.0000   0.0000  190.083   6.7568  ?   ?  0.000000 6.756823 
1 1 1   18    7   24 o   99.941   23.520  1688.15  705.511  1688.15  705.511   0.0000   0.0000   99.941   23.520  ?   ?  0.000000 23.51978 
1 1 1   18    7   25 o   59.160   7.8154  547.561  137.667  589.242  157.330  411.372  284.387   61.248   8.6573   51.268   16.221 9.980049 18.38685 
1 1 1   18    7   26 o   92.480   6.0127  1317.29  168.798  1301.25  183.528  1405.39  430.037   91.827   6.5919   93.228   15.668 -1.401215 16.99864 
1 1 1   18    7   27 o  244.133   6.9911  9162.43  520.942  9590.37  1389.62  9092.45  561.922  243.676   18.830  243.045   7.5748 0.6312256 20.29646 
1 1 1   18    7   28 o  198.684   3.7761  6038.21  228.993  5884.59  396.940  6114.83  280.349  195.672   6.6463  199.831   4.5964 -4.158707 8.080830 
1 1 1   18    7   29 o  163.850   3.6543  4106.56  182.755  4086.03  317.799  4116.70  223.388  163.057   6.3855  163.960   4.4638 -0.9028778 7.791049 
1 1 1   18    7   30 o  122.475   4.5410  2297.90  169.754  2680.59  735.514  2276.36  174.464  126.946   19.615  121.885   4.6896 5.061348 20.16764 
1 1 1   18    7   31 o   53.424   4.5554  440.491   73.571  514.965  161.017  420.840   82.710   56.830   9.6265   52.108   5.2730 4.721554 10.97605 
1 1 1   18    7   32 o   79.794   4.5262  978.977  109.782  982.510  127.453  968.823  216.106   79.835   5.2599   78.475   9.1968 1.360031 10.59468 
1 1 1   18    7   33 o   53.402   5.8179  443.572   93.294  475.581  112.210  371.903  167.903   55.133   6.8130   47.725   11.632 7.408031 13.48067 
1 1 1   18    7   34 o  124.084   5.0437  2363.92  191.020  2469.28  216.737  1997.33  404.291  126.730   5.6032  111.921   12.023 14.80902 13.26495 
1 1 1   18    7   35 o  119.557   3.9179  2189.83  142.972  2273.55  155.612  1736.42  362.138  121.788   4.1862  104.357   11.564 17.43124 12.29818 
1 1 1   18    8    0 o   75.347   5.4100  880.938  122.944  880.938  122.944  880.938  122.944   75.347   5.4100   75.347   5.4100 0.000000 0.000000 
1 1 1   18    8    1 o  254.880   12.519 10035.91  973.888 10341.12  1342.98  9697.38  1414.36  256.802   17.234  248.005   18.825 8.797485 25.52222 
1 1 1   18    8    2 o  130.792   6.2079  2618.57  247.824  2490.75  264.308  3548.52  712.907  127.340   6.8252  150.248   15.781 -22.90844 17.19402 
1 1 1   18    8    3 o  388.197   5.6539 23055.96  669.907 23146.90  857.684 22913.69  1072.80  388.651   7.2302  386.226   9.1004 2.425232 11.62292 
1 1 1   18    8    4 o  127.807   7.3180  2511.49  284.286  2702.21  427.092  2359.77  380.936  132.049   10.688  123.429   10.203 8.619400 14.77640 
1 1 1   18    8    5 o  165.989   5.0436  4213.35  255.527  3813.76  532.162  4333.08  291.306  156.916   11.184  168.286   5.6713 -11.37041 12.54010 
1 1 1   18    8    6 o   84.705   4.9724  1100.92  127.992  1362.23  259.902  1017.26  147.061   93.718   9.2047   81.310   5.9673 12.40757 10.96977 
1 1 1   18    8    7 o  168.509   5.5226  4344.16  284.041  4344.16  284.041   0.0000   0.0000  168.509   5.5226  ?   ?  0.000000 5.522576 
1 1 1   18    8    8 o  233.164   11.298  8383.78  804.047  8383.78  804.047   0.0000   0.0000  233.164   11.298  ?   ?  0.000000 11.29805 
1 1 1   18    8    9 o  152.864   5.6009  3575.45  261.323  3590.70  282.286  3484.07  691.027  153.157   6.0386  148.876   15.431 4.281189 16.57086 
1 1 1   18    8   10 o  142.871   3.5516  3118.43  154.874  3225.32  211.416  2994.63  227.520  145.237   4.7692  139.913   5.3278 5.323792 7.150551 
1 1 1   18    8   11 f  220.132   4.7342  7409.53  318.089  7846.78  448.241  6965.96  451.467  226.343   6.4882  213.206   6.9376 13.13693 9.498820 
1 1 1   18    8   12 o   57.633   5.4299  512.704   94.392  418.730  103.691  967.276  228.055   51.852   6.7091   78.710   9.6979 -26.85755 11.79246 
1 1 1   18    8   13 o  130.337   9.0101  2623.55  356.239  2623.55  356.239   0.0000   0.0000  130.337   9.0101  ?   ?  0.000000 9.010084 
1 1 1   18    8   14 f   60.625   4.4507  564.940   81.780  516.023  153.336  584.386   96.678   57.246   9.0788   61.588   5.1914 -4.341873 10.45825 
1 1 1   18    8   15 o   66.902   4.5514  687.544   92.386  670.755  198.556  692.183  104.372   65.196   10.322   67.068   5.1377 -1.872147 11.52971 
1 1 1   18    8   16 o   90.505   4.2371  1252.24  117.046  1395.47  229.642  1201.97  136.044   95.001   7.9940   88.494   5.0577 6.506660 9.459598 
1 1 1   18    8   17 o  305.209   8.9155 14328.74  830.537   0.0000   0.0000 14328.74  830.537  ?   ?   305.209   8.9155 0.000000 8.915466 
1 1 1   18    8   18 o  137.675   5.8405  2902.81  245.428  2902.81  245.428   0.0000   0.0000  137.675   5.8405  ?   ?  0.000000 5.840540 
1 1 1   18    8   19 o  188.344   4.4810  5425.24  257.598  5356.79  364.741  5493.35  363.859  186.945   6.3922  189.325   6.2966 -2.380096 8.972648 
1 1 1   18    8   20 o  227.072   4.9116  7889.95  340.409  8006.29  471.806  7763.64  491.628  228.466   6.7659  224.909   7.1616 3.557129 9.852213 
1 1 1   18    8   21 o  166.705   3.5353  4247.28  179.882  4407.17  227.591  3981.17  293.624  169.747   4.3927  161.182   5.9684 8.564285 7.410651 
1 1 1   18    8   22 o  130.020   3.9156  2584.74  155.391  2852.70  235.878  2379.27  206.545  136.456   5.6634  124.639   5.4293 11.81670 7.845486 
1 1 1   18    8   23 o  258.970   7.5037 10308.42  593.116 10308.42  593.116   0.0000   0.0000  258.970   7.5037  ?   ?  0.000000 7.503654 
1 1 1   18    8   24 o  127.952   5.6252  2509.15  219.685  2561.41  239.900  2237.66  546.766  129.232   6.0820  118.280   15.520 10.95213 16.66895 
1 1 1   18    8   25 o  180.650   10.674  5077.92  585.923  5934.93  962.442  4573.24  738.559  192.872   16.508  170.076   14.362 22.79582 21.88081 
1 1 1   18    8   26 o  147.241   5.3173  3322.79  238.965  3434.12  267.712  2886.33  530.075  149.618   5.8623  135.226   13.003 14.39227 14.26350 
1 1 1   18    8   27 o  115.158   6.3808  2043.33  223.402  2043.33  223.402   0.0000   0.0000  115.158   6.3808  ?   ?  0.000000 6.380804 
1 1 1   18    8   28 o  142.952   5.5101  3135.07  240.416   0.0000   0.0000  3135.07  240.416  ?   ?   142.952   5.5101 0.000000 5.510052 
1 1 1   18    8   29 f   80.714   4.0748  999.795  100.060  1152.22  169.833  918.754  123.835   86.316   6.4939   77.212   5.2864 9.103798 8.373590 
1 1 1   18    8   30 o   54.991   8.0163  476.753  130.592  516.747  142.355  264.308  328.091   57.210   8.4028   45.743   17.243 11.46649 19.18144 
1 1 1   18    8   31 o   71.612   7.0303  798.124  151.686  797.612  167.006  800.538  362.550   71.433   7.7858   69.000   17.259 2.433075 18.93362 
1 1 1   18    8   32 o  101.301   5.0223  1574.92  155.286  1674.18  192.948  1392.40  261.631  104.133   6.0972   94.204   9.2173 9.928688 11.05142 
1 1 1   18    8   33 o   67.455   4.2165  700.020   86.377  982.338  169.353  600.753  100.421   79.461   7.0561   62.308   5.3317 17.15234 8.843960 
1 1 1   18    8   34 o   50.280   8.3180  402.338  123.192  476.395  160.372  295.737  192.410   54.388   10.030   42.997   13.303 11.39052 16.66092 
1 1 1   18    9    0 o  311.387   14.210 15040.88  1344.10 15040.88  1344.10 15040.88  1344.10  311.387   14.210  311.387   14.210 0.000000 0.000000 
1 1 1   18    9    1 f  421.932   15.208 27689.50  1958.56 27720.54  2409.96 27629.10  3361.23  420.090   18.795  412.641   26.833 7.449310 32.76119 
1 1 1   18    9    2 f  248.870   6.9970  9490.58  531.495  9116.62  569.384 12023.17  1481.76  243.821   7.6510  276.612   17.643 -32.79140 19.23011 
1 1 1   18    9    3 o  172.848   3.5026  4564.16  184.787  4264.81  234.423  5055.40  300.302  167.022   4.5984  181.783   5.4124 -14.76144 7.102051 
1 1 1   18    9    4 o  348.035   6.6086 18553.28  702.016 18122.29  1093.48 18855.48  915.627  343.033   10.444  350.425   8.5606 -7.391754 13.50398 
1 1 1   18    9    5 o  152.654   3.9037  3560.92  181.885  3122.76  523.961  3620.95  193.946  141.645   12.240  153.924   4.1282 -12.27863 12.91706 
1 1 1   18    9    6 o  175.138   4.0610  4687.65  217.087  4458.98  524.640  4734.90  238.459  169.890   10.164  175.994   4.4391 -6.103806 11.09133 
1 1 1   18    9    7 o  134.355   3.8536  2758.36  158.029  2691.92  191.600  2899.73  279.479  132.684   4.7311  137.581   6.6554 -4.896713 8.165617 
1 1 1   18    9    8 o  156.513   5.9857  3750.11  285.945  3727.39  296.176  4061.97  1097.45  156.019   6.2195  157.931   23.481 -1.911743 24.29093 
1 1 1   18    9    9 o   71.547   4.8113  786.330  104.457  810.618  195.850  776.674  123.487   72.058   9.1083   71.005   5.7472 1.053337 10.76991 
1 1 1   18    9   10 o  244.077   10.900  9188.65  812.044  8459.20  1384.99  9570.77  1002.42  230.618   19.870  248.129   13.284 -17.51047 23.90155 
1 1 1   18    9   11 o  186.363   5.1495  5313.25  292.918  5214.90  314.073  5970.46  811.858  184.592   5.5744  195.672   13.680 -11.07982 14.77185 
1 1 1   18    9   12 o   90.307   8.7932  1265.19  239.301  1265.19  239.301   0.0000   0.0000   90.307   8.7932  ?   ?  0.000000 8.793211 
1 1 1   18    9   13 o  314.316   7.6990 15162.47  738.617 15162.47  738.617   0.0000   0.0000  314.316   7.6990  ?   ?  0.000000 7.699020 
1 1 1   18    9   14 o   59.243   5.0979  540.937   91.284  491.462  420.146  543.388   93.518   57.751   19.787   59.365   5.2140 -1.614311 20.46224 
1 1 1   18    9   15 o  247.254   5.3883  9357.05  406.640  9121.26  579.532  9585.72  570.721  243.733   7.7901  249.921   7.4818 -6.187210 10.80109 
1 1 1   18    9   16 o  275.178   18.665 12020.92  1558.41   0.0000   0.0000 12020.92  1558.41  ?   ?   275.178   18.665 0.000000 18.66490 
1 1 1   18    9   17 o  123.017   11.902  2365.20  441.293  2065.93  918.656  2454.98  503.147  109.965   27.455  124.966   13.400 -15.00085 30.55042 
1 1 1   18    9   18 o  137.361   5.1654  2887.97  216.561  2868.19  234.831  3000.47  560.005  136.853   5.6219  138.231   13.443 -1.378448 14.57127 
1 1 1   18    9   19 o  127.785   5.8151  2501.67  226.804  2484.29  252.303  2574.84  517.722  127.112   6.5251  127.907   13.464 -0.7942200 14.96135 
1 1 1   18    9   20 o  130.972   4.2003  2623.35  167.911  2615.30  176.923  2696.41  532.877  130.755   4.4331  130.844   13.539 -0.8927917E-01 14.24625 
1 1 1   18    9   21 o   29.512   10.405  118.276  116.596  139.965  127.408   6.5076  289.225   31.546   10.892   35.473   15.135 -3.926477 18.64646 
1 1 1   18    9   22 f  131.682   5.4004  2656.44  217.055  2703.97  238.343  2425.44  525.415  132.808   5.8798  123.705   14.171 9.102829 15.34249 
1 1 1   18    9   23 o  183.659   12.523  5281.99  697.814  5281.99  697.814   0.0000   0.0000  183.659   12.523  ?   ?  0.000000 12.52300 
1 1 1   18    9   24 o   61.159   7.5635  584.130  138.178  550.502  148.381  803.752  379.196   59.173   8.4561   69.671   17.774 -10.49783 19.68336 
1 1 1   18    9   25 o  166.231   3.9705  4227.39  201.451  4295.85  222.013  3908.31  479.299  167.531   4.3418  158.514   9.9571 9.017120 10.86256 
1 1 1   18    9   26 o  165.763   13.623  4348.39  683.139   0.0000   0.0000  4348.39  683.139  ?   ?   165.763   13.623 0.000000 13.62275 
1 1 1   18    9   27 o   98.666   11.858  1542.54  349.958   0.0000   0.0000  1542.54  349.958  ?   ?    98.666   11.858 0.000000 11.85820 
1 1 1   18    9   29 o  137.112   20.165  3150.57  818.705  3150.57  818.705   0.0000   0.0000  137.112   20.165  ?   ?  0.000000 20.16532 
1 1 1   18    9   30 o  102.968   4.1274  1623.92  129.716  1663.75  136.722  1264.92  410.480  104.207   4.2986   87.540   15.950 16.66772 16.51956 
1 1 1   18    9   31 o  122.310   3.5276  2289.42  131.691  2508.14  211.857  2151.70  168.117  127.774   5.4323  118.452   4.6500 9.322174 7.150691 
1 1 1   18    9   32 o  222.355   3.9142  7572.94  265.646  8042.32  342.449  6863.72  420.943  228.905   4.9014  211.001   6.5361 17.90456 8.169780 
1 1 1   18    9   33 o   89.826   3.3167  1234.79   90.934  1352.75  131.796  1127.61  125.625   93.899   4.5986   85.573   4.8295 8.326073 6.668629 
1 1 1   18   10    0 o  102.363   4.8445  1611.82  150.586  1611.82  150.586  1611.82  150.586  102.363   4.8445  102.363   4.8445 0.000000 0.000000 
1 1 1   18   10    1 o  243.686   5.6842  9088.39  422.781  8343.25  730.307  9463.99  518.500  232.730   10.281  248.512   6.8357 -15.78236 12.34613 
1 1 1   18   10    2 o  248.437   8.8387  9484.67  670.231  9293.31  783.902 10004.74  1292.29  245.580   10.458  252.349   16.875 -6.769012 19.85310 
1 1 1   18   10    3 o  312.850   6.9429 15001.02  662.974 14931.23  1320.12 15024.55  766.666  310.114   13.947  312.870   8.0283 -2.755402 16.09252 
1 1 1   18   10    4 o  216.672   8.7803  7214.15  580.669  6788.66  970.796  7451.18  724.573  208.180   15.387  219.816   10.800 -11.63646 18.79885 
1 1 1   18   10    5 o   74.404   4.6350  849.741  104.736  818.012  253.023  856.302  115.056   71.825   11.962   74.648   5.0800 -2.822495 12.99632 
1 1 1   18   10    6 o   95.240   5.3638  1392.29  155.287  1389.95  157.148  1489.40  1012.13   95.153   5.4334   95.067   30.658 0.8512115E-01 31.13528 
1 1 1   18   10    7 o  196.420   5.4102  5903.77  324.350  5720.60  358.246  6736.63  763.907  193.281   6.0726  208.373   12.063 -15.09117 13.50500 
1 1 1   18   10    8 o  175.079   8.0528  4706.31  430.325  4411.19  894.705  4795.12  490.825  166.681   17.865  176.338   9.1508 -9.656723 20.07204 
1 1 1   18   10    9 o  183.614   6.2739  5164.37  351.608  5001.23  384.859  5987.98  864.732  180.611   6.9814  195.608   14.589 -14.99753 16.17299 
1 1 1   18   10   10 f  253.063   4.6640  9793.87  360.250  8939.80  490.220 10796.62  531.182  241.516   6.6501  265.431   6.5565 -23.91510 9.338730 
1 1 1   18   10   11 o  258.714   7.8546 10276.69  620.242  9682.60  724.417 11908.25  1200.50  250.783   9.4640  276.232   14.288 -25.44879 17.13776 
1 1 1   18   10   12 o   27.755   9.0161  114.532   87.428  114.532   87.428   0.0000   0.0000   27.755   9.0161  ?   ?  0.000000 9.016094 
1 1 1   18   10   13 o   78.415   23.656  1007.27  613.386  1007.27  613.386   0.0000   0.0000   78.415   23.656  ?   ?  0.000000 23.65550 
1 1 1   18   10   14 o  255.042   5.5794  9959.44  434.326  9073.11  617.679 10826.24  610.837  242.941   8.3300  265.551   7.5363 -22.61012 11.23323 
1 1 1   18   10   15 o  342.772   6.6873 18017.78  699.639 17861.78  952.572 18200.51  1030.95  340.564   9.1639  343.544   9.8319 -2.979767 13.44037 
1 1 1   18   10   16 o  280.564   13.660 12263.62  1169.77 12751.90  1762.21 11878.97  1564.07  281.787   20.632  273.029   18.885 8.758118 27.97005 
1 1 1   18   10   17 o   99.993   6.6816  1540.53  202.750  1544.43  235.702  1529.42  397.579   99.951   7.7875   98.183   13.635 1.768616 15.70219 
1 1 1   18   10   18 o  203.143   5.8669  6323.88  363.769  6382.99  398.236  6026.04  893.889  204.011   6.3954  195.518   15.096 8.493088 16.39463 
1 1 1   18   10   19 o  194.761   5.7250  5812.56  340.328  6023.68  762.180  5759.98  380.351  196.282   12.792  193.775   6.4309 2.507797 14.31754 
1 1 1   18   10   20 o  141.836   3.3871  3074.75  146.632  3242.04  191.786  2839.36  227.495  145.575   4.3163  136.134   5.4750 9.440979 6.971836 
1 1 1   18   10   21 o  162.723   3.5378  4047.90  175.713  4177.12  225.034  3846.05  281.255  165.217   4.4625  158.383   5.8180 6.833054 7.332308 
1 1 1   18   10   22 o  185.748   5.5617  5288.90  315.318  5222.87  703.532  5305.50  352.730  182.473   12.711  185.937   6.2153 -3.463928 14.14944 
1 1 1   18   10   23 o  202.255   5.9770  6276.85  368.976  6287.60  400.737  6216.98  945.676  202.330   6.4891  197.548   15.817 4.782959 17.09592 
1 1 1   18   10   24 o  109.497   4.0884  1834.70  136.640  1850.79  142.752  1658.77  471.993  109.964   4.2532  101.180   15.800 8.784630 16.36250 
1 1 1   18   10   25 o   71.046   4.0256  774.909   86.936  647.755  143.268  849.017  109.374   64.432   7.4205   74.281   4.8508 -9.848450 8.865348 
1 1 1   18   10   26 o  113.858   3.7831  1983.56  131.470  2038.14  208.885  1947.77  169.182  115.039   5.9695  112.725   4.9172 2.314362 7.733946 
1 1 1   18   10   27 o   74.243   4.6715  848.038  105.319  867.835  679.056  847.550  106.609   72.641   25.141   74.214   4.7311 -1.572540 25.58212 
1 1 1   18   10   28 f   61.279   7.4275  587.721  136.083  614.833  165.824  531.807  238.141   62.354   8.9713   56.833   13.854 5.520962 16.50505 
1 1 1   18   10   29 f  193.225   5.6385  5737.22  332.537  5956.52  370.517  4829.05  754.008  196.750   6.1699  173.522   14.366 23.22803 15.63468 
1 1 1   18   10   30 o   40.980   13.023  263.517  183.158  288.424  640.982  261.302  191.127   56.169   23.146   41.034   13.331 15.13560 26.71015 
1 1 1   18   10   31 o   54.051   8.1425  462.587  130.163  524.946  158.395  332.899  228.423   57.346   9.3734   45.726   14.545 11.61948 17.30393 
1 1 1   18   10   32 o  174.790   3.5454  4677.45  189.146  4626.16  246.307  4751.17  295.296  173.629   4.6477  175.766   5.5043 -2.136398 7.204075 
1 1 1   18   11    0 o   69.294   9.3197  774.939  187.090  774.939  187.090  774.939  187.090   69.294   9.3197   69.294   9.3197 0.000000 0.000000 
1 1 1   18   11    1 o  307.908   6.7220 14531.20  631.735 14436.49  711.343 14884.71  1374.31  306.719   7.5984  309.182   14.563 -2.463043 16.42617 
1 1 1   18   11    2 o   88.547   6.6328  1208.27  177.961  1096.62  196.653  1713.27  418.221   84.177   7.7407  104.235   13.460 -20.05817 15.52693 
1 1 1   18   11    3 f  191.961   4.7861  5636.01  280.424  5395.27  544.928  5722.73  327.054  186.960   9.5816  193.360   5.5416 -6.400406 11.06868 
1 1 1   18   11    4 o  224.436   8.0382  7735.43  550.640  7153.40  824.260  8204.54  739.985  214.489   12.646  230.632   10.512 -16.14247 16.44489 
1 1 1   18   11    5 o  192.485   9.8823  5722.86  578.638  5481.66  793.453  5996.85  845.677  187.250   13.984  195.809   14.248 -8.558426 19.96355 
1 1 1   18   11    6 o  202.787   5.8251  6296.81  360.545  4968.66  732.452  6721.54  414.202  178.339   13.558  209.432   6.4797 -31.09286 15.02639 
1 1 1   18   11    7 o   85.538   5.8418  1125.60  151.607  860.228  238.173  1306.37  196.576   73.879   10.889   92.026   7.0521 -18.14722 12.97286 
1 1 1   18   11    8 o  137.308   4.0125  2881.95  168.161  2701.84  248.091  3035.02  228.719  132.805   6.1204  140.820   5.3213 -8.015457 8.110230 
1 1 1   18   11    9 o  294.905   8.1940 13364.13  737.553 13071.27  972.341 13760.96  1131.85  290.872   10.952  297.918   12.447 -7.045898 16.57969 
1 1 1   18   11   10 o  153.705   7.2540  3625.38  340.316  3475.18  402.601  4001.31  636.934  150.036   8.8304  159.965   13.162 -9.929199 15.84974 
1 1 1   18   11   11 o  308.046   6.0467 14538.33  568.527 14404.00  748.085 14721.98  874.722  306.172   8.0051  309.174   9.2694 -3.002594 12.24759 
1 1 1   18   11   12 o  373.032   10.670 21500.67  1214.82 21500.67  1214.82   0.0000   0.0000  373.032   10.670  ?   ?  0.000000 10.66962 
1 1 1   18   11   13 o  344.807   16.470 18695.82  1733.35 18695.82  1733.35   0.0000   0.0000  344.807   16.470  ?   ?  0.000000 16.46997 
1 1 1   18   11   14 o  239.701   5.0185  8793.98  367.164  8967.50  506.773  8602.26  532.692  241.750   6.8680  236.678   7.3740 5.072083 10.07696 
1 1 1   18   11   15 o  219.022   5.1047  7343.51  341.249  7079.80  496.839  7579.01  469.516  214.654   7.5833  222.219   6.9223 -7.564667 10.26770 
1 1 1   18   11   16 o  301.721   7.6938 13994.05  708.536 14294.66  782.275 12621.28  1671.71  304.730   8.4106  280.414   19.656 24.31613 21.37994 
1 1 1   18   11   17 o   17.778   7.9087 -32.7670   86.310 -37.7052   92.882  -1.5316  233.599   18.327   8.1750   31.735   13.573 -13.40748 15.84436 
1 1 1   18   11   18 o  184.815   4.1375  5224.50  233.396  5858.13  340.035  4660.06  320.936  195.503   5.6984  174.324   6.0318 21.17883 8.297811 
1 1 1   18   11   19 o  207.589   4.6098  6595.79  292.083  6826.73  415.322  6369.80  410.850  210.895   6.4521  203.687   6.6085 7.208618 9.235893 
1 1 1   18   11   20 o   92.945   3.6902  1320.98  104.688  1248.20  162.572  1372.54  136.834   90.013   5.9508   94.562   4.7561 -4.548843 7.617928 
1 1 1   18   11   21 o  135.563   4.0548  2811.61  167.776  2842.61  177.647  2555.69  510.408  136.290   4.2705  127.052   13.362 9.238274 14.02803 
1 1 1   18   11   22 o   44.974   7.3418  319.218   97.304  301.659  103.928  443.947  276.992   43.548   8.1176   52.571   15.905 -9.023434 17.85654 
1 1 1   18   11   23 o   90.827   20.383  1393.74  551.176  1393.74  551.176   0.0000   0.0000   90.827   20.383  ?   ?  0.000000 20.38254 
1 1 1   18   11   24 o  135.986   17.012  3006.58  690.665  3006.58  690.665   0.0000   0.0000  135.986   17.012  ?   ?  0.000000 17.01235 
1 1 1   18   11   25 o  172.243   4.3398  4543.81  228.157  4361.96  330.967  4708.49  314.953  168.401   6.4391  175.073   5.8940 -6.672379 8.729299 
1 1 1   18   11   26 o  222.667   6.5576  7631.95  445.677  9103.07  1271.95  7426.06  475.843  236.309   17.765  219.480   7.1032 16.82892 19.13234 
1 1 1   18   11   27 o   97.040   3.9703  1441.92  117.595  1471.04  205.097  1427.66  143.531   97.443   6.9413   96.353   4.8966 1.089767 8.494608 
1 1 1   18   11   28 o  159.025   3.4790  3869.84  168.865  3894.85  214.379  3828.96  274.102  159.408   4.4061  157.825   5.6901 1.582230 7.196596 
1 1 1   18   11   29 o   75.558   4.8448  879.630  111.142  932.950  689.491  878.207  112.614   73.660   25.342   75.486   4.9145 -1.826172 25.81450 
1 1 1   18   11   30 o   77.171   7.8293  931.690  181.861  931.690  181.861   0.0000   0.0000   77.171   7.8293  ?   ?  0.000000 7.829313 
1 1 1   18   12    0 o   84.600   4.5275  1103.02  116.143  1103.02  116.143  1103.02  116.143   84.600   4.5275   84.600   4.5275 0.000000 0.000000 
1 1 1   18   12    1 o  244.925   6.0413  9189.85  451.630  8775.30  852.975  9351.34  532.379  238.083   11.738  246.895   7.0647 -8.811859 13.69993 
1 1 1   18   12    2 o  197.082   5.3198  5945.24  320.005  5368.59  582.394  6194.64  383.003  186.253   10.285  201.061   6.2410 -14.80872 12.03002 
1 1 1   18   12    3 o  200.151   4.0410  6124.22  246.867  5866.46  611.584  6174.39  269.826  194.706   10.328  200.937   4.3995 -6.231812 11.22601 
1 1 1   18   12    4 o  305.928   10.941 14464.75  1021.64 13062.65  1750.06 15189.61  1258.31  285.823   20.190  312.612   13.188 -26.78961 24.11554 
1 1 1   18   12    5 o  256.164   17.312 10378.05  1345.67 10378.05  1345.67   0.0000   0.0000  256.164   17.312  ?   ?  0.000000 17.31242 
1 1 1   18   12    6 o  160.294   7.1333  3942.84  349.001  3877.26  421.982  4084.81  620.862  158.500   8.7566  161.731   12.679 -3.231079 15.40871 
1 1 1   18   12    7 o   89.937   3.2718  1235.88   89.813  1266.82  134.508  1210.99  120.649   90.862   4.8677   88.983   4.4422 1.879242 6.589986 
1 1 1   18   12    8 o  193.080   9.2265  5743.19  543.740  5706.20  697.887  5800.34  867.390  191.480   12.002  192.057   14.914 -0.5776672 19.14318 
1 1 1   18   12    9 o  111.848   3.3035  1911.53  112.776  1891.17  148.677  1939.12  173.065  111.199   4.3805  112.561   5.0374 -1.361572 6.675646 
1 1 1   18   12   10 o  139.570   5.0741  2981.68  216.156  2843.20  252.850  3357.66  416.626  136.203   6.0822  147.308   9.3142 -11.10535 11.12417 
1 1 1   18   12   11 o  290.037   8.0502 12935.96  712.649 12935.96  712.649   0.0000   0.0000  290.037   8.0502  ?   ?  0.000000 8.050181 
1 1 1   18   12   12 o   41.536   18.051 -42.7147  426.178 -42.7147  426.178   0.0000   0.0000   41.536   18.051  ?   ?  0.000000 18.05131 
1 1 1   18   12   13 o  167.228   4.5424  4278.75  231.852  4278.75  231.852   0.0000   0.0000  167.228   4.5424  ?   ?  0.000000 4.542391 
1 1 1   18   12   14 o  146.524   3.4845  3281.55  155.835  3232.23  198.874  3360.01  250.831  145.345   4.4829  148.089   5.5493 -2.744141 7.133826 
1 1 1   18   12   15 o  101.712   13.615  1643.76  412.065  1411.07  790.938  1730.45  482.757   90.771   26.740  103.747   15.739 -12.97627 31.02826 
1 1 1   18   12   16 o  183.225   11.979  5244.77  666.217  4811.69  1065.59  5522.69  853.625  171.552   20.774  186.788   15.102 -15.23564 25.68322 
1 1 1   18   12   17 o  161.600   4.5578  3997.16  224.811  3997.16  224.811   0.0000   0.0000  161.600   4.5578  ?   ?  0.000000 4.557846 
1 1 1   18   12   18 o  172.714   4.2013  4564.33  221.478  4737.26  322.052  4409.15  305.071  175.717   6.0048  169.538   5.8954 6.178177 8.415075 
1 1 1   18   12   19 o   94.487   10.095  1398.93  286.636  1402.02  452.494  1396.86  370.439   92.647   16.612   93.525   13.356 -0.8780594 21.31535 
1 1 1   18   12   20 o  243.588   4.9672  9091.61  369.303  9161.88  388.931  8447.71  1177.37  244.478   5.2121  229.443   16.932 15.03505 17.71575 
1 1 1   18   12   21 o  168.019   4.1825  4321.21  214.493  4488.26  312.733  4172.83  294.743  170.967   5.9930  164.873   5.8570 6.094528 8.379788 
1 1 1   18   12   22 o  135.434   5.7951  2816.22  239.557  2816.22  239.557   0.0000   0.0000  135.434   5.7951  ?   ?  0.000000 5.795136 
1 1 1   18   12   23 o   24.881   9.8527   53.402  111.125   18.380  115.805  460.627  394.883   23.358   9.7494   55.104   19.166 -31.74672 21.50319 
1 1 1   18   12   24 o   93.403   3.9587  1335.57  112.857  1562.06  210.563  1244.29  133.680  100.460   6.9091   89.950   4.8875 10.51084 8.462992 
1 1 1   18   12   25 o   81.381   9.1579  1040.81  223.525  1145.50  454.712  1007.46  256.679   82.262   18.552   79.591   10.849 2.671021 21.49140 
1 1 1   18   12   26 f  197.854   6.3598  6027.80  384.069  6069.37  427.571  5854.13  873.937  198.329   7.0632  190.553   15.151 7.776932 16.71679 
1 1 1   18   12   27 o  140.136   5.3313  3016.89  228.033  3012.79  283.024  3024.46  384.981  139.789   6.6334  139.154   9.1145 0.6353455 11.27277 
1 1 1   18   12   28 o   87.763   5.3375  1187.95  142.298  1059.02  172.952  1458.10  250.354   82.538   6.9293   96.518   8.5880 -13.97957 11.03491 
1 1 1   18   12   29 o  198.388   4.3819  6036.07  265.336  6047.67  293.773  5984.72  618.185  198.469   4.8496  195.074   10.420 3.395859 11.49345 
1 1 1   18   13    0 o   65.839   24.522  912.710  458.565  912.710  458.565  912.710  458.565   65.839   24.522   65.839   24.522 0.000000 0.000000 
1 1 1   18   13    1 o  188.260   8.5430  5454.64  490.891  5660.75  590.171  4991.88  884.317  191.194   10.149  177.374   16.524 13.82008 19.39253 
1 1 1   18   13    2 o  191.437   5.1491  5610.18  300.864  5536.48  349.873  5819.37  589.440  190.066   6.0310  193.901   9.9936 -3.834244 11.67241 
1 1 1   18   13    3 o  134.135   5.6630  2756.14  231.851  2851.28  274.197  2517.49  434.282  136.341   6.5890  127.007   11.322 9.333839 13.09931 
1 1 1   18   13    4 o  390.855   8.6927 23521.78  1037.02 25001.69  2099.90 23044.44  1192.59  397.799   17.295  386.265   10.116 11.53442 20.03588 
1 1 1   18   13    5 f  221.476   5.2450  7510.34  354.562  7431.00  656.902  7542.96  421.181  219.410   9.8090  221.809   6.2212 -2.398651 11.61553 
1 1 1   18   13    6 f   98.583   4.6144  1486.96  138.845  1476.89  149.057  1553.04  381.674   98.100   4.9946   99.102   12.926 -1.001358 13.85730 
1 1 1   18   13    7 o  192.609   5.3210  5681.19  312.814  5754.53  362.810  5468.71  617.508  193.738   6.1355  187.662   10.827 6.076645 12.44436 
1 1 1   18   13    8 o  243.293   5.0747  9062.13  376.837  9399.33  581.310  8817.72  494.912  247.265   7.7024  239.693   6.7648 7.571823 10.25136 
1 1 1   18   13    9 o  201.046   8.0761  6219.32  495.583  6358.26  775.401  6123.37  644.369  201.710   12.659  198.612   10.669 3.098145 16.55480 
1 1 1   18   13   10 o  175.973   9.0440  4787.88  484.117  4304.00  1106.49  4902.44  538.383  161.157   23.160  177.828   9.9592 -16.67081 25.21087 
1 1 1   18   13   11 o  336.140   8.3596 17402.81  857.679 17759.81  947.724 15787.42  2015.99  339.262   9.1523  311.816   21.310 27.44574 23.19213 
1 1 1   18   13   12 o  285.891   6.0953 12536.35  531.881 12536.35  531.881   0.0000   0.0000  285.891   6.0953  ?   ?  0.000000 6.095325 
1 1 1   18   13   13 o  211.307   6.0967  6849.54  393.211  6825.28  427.258  6983.79  1005.18  210.831   6.6395  209.756   15.817 1.075287 17.15394 
1 1 1   18   13   14 o   27.396   8.4094  115.754   77.057 -97.6302  437.490  122.586   78.281   40.696   17.969   28.076   8.4464 12.61960 19.85493 
1 1 1   18   13   15 o   54.622   10.252  476.905  164.641  438.063  184.553  628.325  364.386   52.029   11.882   61.967   18.120 -9.938198 21.66841 
1 1 1   18   13   16 o  229.981   4.3086  8095.02  302.443  7833.21  375.128  8581.29  511.237  226.039   5.4372  236.210   7.0910 -10.17029 8.935650 
1 1 1   18   13   17 o   47.913   9.7894  368.284  138.326  368.284  138.326   0.0000   0.0000   47.913   9.7894  ?   ?  0.000000 9.789382 
1 1 1   18   13   18 o  100.590   11.320  1595.97  341.499  1642.84  501.930  1555.58  465.978  100.139   17.032   97.697   16.194 2.442345 23.50146 
1 1 1   18   13   19 o  126.272   5.2273  2445.06  201.464  3128.24  728.940  2388.56  209.629  138.492   17.645  124.772   5.5045 13.71987 18.48406 
1 1 1   18   13   20 o  114.607   18.426  2172.63  622.707  2172.63  622.707   0.0000   0.0000  114.607   18.426  ?   ?  0.000000 18.42573 
1 1 1   18   13   21 o  171.080   6.2630  4500.63  327.036  4500.63  327.036   0.0000   0.0000  171.080   6.2630  ?   ?  0.000000 6.262952 
1 1 1   18   13   22 o   60.831   6.1524  574.735  112.660  574.735  112.660   0.0000   0.0000   60.831   6.1524  ?   ?  0.000000 6.152380 
1 1 1   18   13   23 o   79.356   4.7343  969.028  114.148  1011.08  121.106  634.344  341.682   81.040   4.9194   61.585   17.405 19.45442 18.08729 
1 1 1   18   13   24 o  100.638   3.6896  1550.34  113.334  1633.74  178.081  1493.57  146.931  102.941   5.6899   98.666   4.8790 4.274658 7.495253 
1 1 1   18   13   25 f  170.980   4.3794  4481.48  228.550  4695.63  372.435  4352.13  289.462  174.415   6.9960  168.248   5.6367 6.166458 8.984234 
1 1 1   18   13   26 o  150.833   4.3346  3487.98  199.557  3580.19  333.875  3436.73  248.911  152.206   7.1868  149.521   5.4541 2.684250 9.022045 
1 1 1   18   13   27 o  165.822   5.0539  4223.79  255.790  4448.72  672.904  4185.80  276.549  166.518   13.352  164.978   5.4920 1.539764 14.43728 
1 1 1   18   14    0 o   53.127   15.741  536.283  222.024  536.283  222.024  536.283  222.024   53.127   15.741   53.127   15.741 0.000000 0.000000 
1 1 1   18   14    1 o  152.461   4.0168  3554.85  186.920  3682.61  266.545  3431.22  262.198  155.018   5.6334  149.622   5.7414 5.396469 8.043579 
1 1 1   18   14    2 f  136.097   4.5668  2834.49  189.703  3122.88  404.356  2753.10  214.810  141.928   9.3872  134.070   5.2494 7.858292 10.75527 
1 1 1   18   14    3 f  186.669   7.9699  5362.48  454.090  5043.60  753.546  5544.31  569.006  179.020   13.900  189.134   9.8910 -10.11339 17.05981 
1 1 1   18   14    4 o  141.317   7.9851  3083.19  343.014  4609.77  524.465  1942.09  453.439  172.371   10.012  110.649   13.721 61.72234 16.98504 
1 1 1   18   14    5 o  461.795   8.8256 32886.61  1243.98 33095.14  1419.13 32194.84  2584.80  462.543   10.052  448.662   18.875 13.88147 21.38494 
1 1 1   18   14    6 o  102.150   6.5941  1608.43  204.496  1181.57  228.420  3331.95  458.987   87.121   8.7066  146.346   10.342 -59.22538 13.51902 
1 1 1   18   14    7 o  155.174   4.0946  3683.25  193.932  3621.82  278.197  3741.32  270.489  153.679   5.9309  156.226   5.6726 -2.547073 8.206906 
1 1 1   18   14    8 o  166.286   6.6185  4245.92  335.918  4205.73  459.105  4292.22  492.804  164.789   9.1640  166.321   9.7502 -1.532013 13.38075 
1 1 1   18   14    9 o  119.097   4.7494  2171.69  172.646  2166.55  204.463  2184.44  322.259  118.878   5.6350  118.630   8.9662 0.2480774 10.58995 
1 1 1   18   14   10 o  276.165   6.6981 11715.98  564.600 12068.86  615.618  9847.82  1416.47  280.151   7.1995  246.993   18.933 33.15829 20.25590 
1 1 1   18   14   11 o  188.424   5.6633  5444.46  325.704  5629.44  358.489  4569.60  779.603  191.519   6.1326  169.491   15.233 22.02834 16.42074 
1 1 1   18   14   12 o   37.420   9.9730  224.564  115.971  227.302  130.135  213.998  255.618   37.780   10.764   41.184   15.279 -3.404034 18.69026 
1 1 1   18   14   13 o  135.410   9.5872  2852.91  393.677  2860.02  573.849  2846.59  541.081  134.059   14.243  134.052   13.404 0.6881714E-02 19.55801 
1 1 1   18   14   14 o   58.313   4.8252  524.458   85.110  384.582  193.678  557.932   94.748   48.668   12.849   60.106   5.2163 -11.43783 13.86754 
1 1 1   18   14   15 o  106.988   6.3513  1764.99  206.473  1767.14  234.317  1757.53  436.706  106.892   7.2243  104.735   14.012 2.157242 15.76488 
1 1 1   18   14   16 o  157.761   5.8912  3821.75  283.676  3821.75  283.676   0.0000   0.0000  157.761   5.8912  ?   ?  0.000000 5.891224 
1 1 1   18   14   17 o  224.805   6.4756  7772.44  444.327  7860.24  488.941  7356.10  1064.69  225.898   7.0913  213.724   16.447 12.17392 17.91106 
1 1 1   18   14   18 o  139.294   4.0320  2970.37  171.423  3026.61  259.572  2926.88  228.288  140.331   6.0602  138.097   5.4160 2.233643 8.127709 
1 1 1   18   14   19 o   58.948   5.5679  538.270   98.994  457.749  605.542  540.481  100.344   59.811   23.201   59.059   5.6349 0.7519150 23.87585 
1 1 1   18   14   20 o  165.171   9.6160  4257.66  482.682  4367.21  657.599  4129.69  710.723  165.745   13.106  160.335   14.686 5.409988 19.68361 
1 1 1   18   14   21 o   66.896   9.3766  708.750  186.193  708.750  186.193   0.0000   0.0000   66.896   9.3766  ?   ?  0.000000 9.376569 
1 1 1   18   14   22 f  132.978   6.7794  2733.82  274.250  2733.82  274.250   0.0000   0.0000  132.978   6.7794  ?   ?  0.000000 6.779424 
1 1 1   18   14   23 o   70.268   4.4620  760.118   95.203  978.274  813.317  757.088   95.862   75.757   27.392   70.122   4.5027 5.634659 27.75946 
1 1 1   18   14   24 o  137.234   4.0149  2885.67  168.174  2883.86  187.989  2892.89  376.329  137.123   4.4916  135.997   9.1189 1.125275 10.16507 
1 1 1   18   14   25 o  126.360   5.3160  2454.51  205.028  2685.89  264.813  2108.24  323.952  131.928   6.5764  115.922   9.2324 16.00626 11.33516 
1 1 1   18   15    0 o  129.309   5.5074  2572.45  216.472  2572.45  216.472  2572.45  216.472  129.309   5.5074  129.309   5.5074 0.000000 0.000000 
1 1 1   18   15    1 o  496.325   14.279 38750.01  2163.08 39485.17  4303.90 38501.55  2502.04  477.348   29.687  492.088   16.658 -14.73975 34.04147 
1 1 1   18   15    2 o  256.401   8.6622 10146.86  677.903  8843.42  959.871 11443.95  957.532  237.219   13.311  271.105   11.572 -33.88617 17.63755 
1 1 1   18   15    3 o  100.024   7.0987  1546.13  215.314  1289.36  331.216  1734.06  283.356   90.093   12.372  105.605   8.8731 -15.51192 15.22455 
1 1 1   18   15    4 o  107.730   6.9780  1791.73  228.217  2013.80  351.995  1630.68  299.757  113.514   10.271  102.186   9.7282 11.32767 14.14655 
1 1 1   18   15    5 o  223.380   4.5073  7639.16  307.310  7701.39  336.797  7329.71  751.021  224.221   4.9212  216.697   11.395 7.523697 12.41219 
1 1 1   18   15    6 o  237.099   4.3619  8604.91  315.664  9183.43  447.496  8031.93  445.345  244.615   5.9936  228.680   6.3804 15.93521 8.754047 
1 1 1   18   15    7 o  212.884   8.4020  6994.43  545.941  7070.97  650.231  6811.57  1005.07  213.558   9.9755  206.494   16.073 7.064026 18.91727 
1 1 1   18   15    8 o  204.277   4.7317  6391.60  295.024  6440.30  338.460  6237.54  601.966  204.939   5.4108  200.593   9.8319 4.345963 11.22247 
1 1 1   18   15    9 o  119.992   5.7300  2209.34  209.857  2034.33  264.692  2505.53  344.346  114.660   7.6065  126.987   8.9413 -12.32690 11.73904 
1 1 1   18   15   10 o  152.223   6.0694  3558.50  281.997  3688.15  323.117  3144.17  577.638  154.841   6.8369  140.733   13.618 14.10773 15.23767 
1 1 1   18   15   11 o  398.216   8.7219 24522.82  1060.10 25201.38  1151.70 20759.23  2712.38  403.288   9.3564  348.625   25.671 54.66287 27.32280 
1 1 1   18   15   12 o  159.296   4.5729  3887.11  222.337  4151.19  264.221  3246.53  411.516  164.518   5.2618  144.421   9.3864 20.09630 10.76068 
1 1 1   18   15   13 o  227.252   5.1261  7919.76  355.557  8116.02  524.473  7752.84  483.669  229.420   7.4899  224.356   7.0631 5.063980 10.29490 
1 1 1   18   15   15 o  188.658   4.5935  5454.36  264.504  5230.38  384.657  5655.26  364.301  184.278   6.8389  191.768   6.2240 -7.489578 9.247044 
1 1 1   18   15   16 o  194.256   6.7373  5812.38  399.465  5812.38  399.465   0.0000   0.0000  194.256   6.7373  ?   ?  0.000000 6.737334 
1 1 1   18   15   17 o  240.803   5.3572  8903.26  393.750  8903.26  393.750   0.0000   0.0000  240.803   5.3572  ?   ?  0.000000 5.357243 
1 1 1   18   15   18 o  185.916   4.7418  5301.08  269.079  5301.08  269.079   0.0000   0.0000  185.916   4.7418  ?   ?  0.000000 4.741832 
1 1 1   18   15   19 f  105.382   5.6067  1711.67  179.691  1683.12  196.688  1855.80  441.884  104.381   6.2015  107.194   13.828 -2.812927 15.15509 
1 1 1   18   15   20 o  113.366   3.9363  1968.55  136.203  2053.79  223.430  1918.13  171.820  115.283   6.3746  111.775   5.0363 3.507416 8.123994 
1 1 1   18   15   21 o   96.340   7.1166  1441.57  207.781  1441.57  207.781   0.0000   0.0000   96.340   7.1166  ?   ?  0.000000 7.116556 
1 1 1   18   15   22 o   59.361   20.971  559.207  473.881  559.207  473.881   0.0000   0.0000   59.361   20.971  ?   ?  0.000000 20.97079 
1 1 1   18   15   23 o  124.769   4.4911  2388.42  171.032  2644.73  558.298  2361.88  179.670  127.399   14.623  124.035   4.7459 3.363617 15.37348 
1 1 1   18   16    0 o  357.154   5.8633 19551.30  638.777 19551.30  638.777 19551.30  638.777  357.154   5.8633  357.154   5.8633 0.000000 0.000000 
1 1 1   18   16    1 o  142.058   6.0911  3100.02  264.109  2731.55  318.462  3911.71  472.664  132.829   7.8905  158.463   9.8209 -25.63402 12.59801 
1 1 1   18   16    2 f  165.428   7.2348  4215.30  365.301  3860.26  560.175  4478.00  481.853  156.705   11.798  169.741   9.3365 -13.03610 15.04565 
1 1 1   18   16    3 o   40.837   10.601  269.196  133.298  227.240  185.918  313.578  191.217   39.106   13.164   44.297   13.173 -5.191208 18.62266 
1 1 1   18   16    4 o  107.710   4.0229  1775.67  132.255  1803.52  145.946  1647.75  312.753  108.520   4.4062  102.493   10.130 6.026367 11.04684 
1 1 1   18   16    5 o  246.854   5.9080  9358.83  445.141  9370.87  480.846  9286.68  1177.16  246.883   6.3811  240.581   16.124 6.301407 17.34091 
1 1 1   18   16    6 o  158.353   4.9224  3843.94  237.915  3817.47  280.424  3911.93  449.456  157.666   5.8272  158.574   9.3273 -0.9084015 10.99793 
1 1 1   18   16    7 o   97.881   4.7872  1468.40  143.020  1422.08  155.270  1727.69  367.379   96.133   5.3123  104.459   11.725 -8.326141 12.87238 
1 1 1   18   16    8 o  111.894   9.4658  1956.50  320.251  2146.67  519.040  1839.60  406.947  115.264   15.118  107.494   12.645 7.770187 19.70899 
1 1 1   18   16    9 o  193.284   7.0935  5757.22  418.478  5757.22  418.478   0.0000   0.0000  193.284   7.0935  ?   ?  0.000000 7.093477 
1 1 1   18   16   10 o   57.059   11.094  525.321  186.245  595.033  229.714  391.581  318.172   60.386   12.857   50.596   17.220 9.789700 21.49017 
1 1 1   18   16   11 f  232.286   6.5256  8305.81  462.655  8398.29  509.491  7871.04  1104.68  233.373   7.1527  220.531   16.532 12.84215 18.01287 
1 1 1   18   16   12 o   27.452   10.024   96.212  109.317   92.451  119.507  115.488  270.552   27.860   10.425   37.699   15.222 -9.839609 18.44993 
1 1 1   18   16   14 o  146.513   13.750  3438.39  607.707   0.0000   0.0000  3438.39  607.707  ?   ?   146.513   13.750 0.000000 13.75025 
1 1 1   18   16   15 o  114.303   10.149  2055.34  350.407  2007.13  525.589  2093.92  470.135  110.554   16.045  113.979   13.795 -3.424316 21.15952 
1 1 1   18   16   16 o  172.356   6.0845  4572.88  320.087  4572.88  320.087   0.0000   0.0000  172.356   6.0845  ?   ?  0.000000 6.084492 
1 1 1   18   16   17 o   46.125   7.5065  337.226  102.045  337.226  102.045   0.0000   0.0000   46.125   7.5065  ?   ?  0.000000 7.506450 
1 1 1   18   16   18 o   48.592   7.1535  372.424  102.921  372.424  102.921   0.0000   0.0000   48.592   7.1535  ?   ?  0.000000 7.153480 
1 1 1   18   16   19 o   91.132   4.9182  1278.98  136.296  1127.07  819.794  1283.30  138.219   79.086   27.609   91.276   4.9801 -12.18979 28.05476 
1 1 1   18   16   20 o   77.571   5.0988  928.541  120.048  928.541  120.048   0.0000   0.0000   77.571   5.0988  ?   ?  0.000000 5.098786 
1 1 1   18   17    0 f   27.417   14.881  167.288  175.176  167.288  175.176  167.288  175.176   27.417   14.881   27.417   14.881 0.000000 0.000000 
1 1 1   18   17    1 o  125.750   5.7967  2430.10  222.486  2771.78  295.512  1982.98  338.045  133.846   7.2607  112.425   9.9543 21.42097 12.32095 
1 1 1   18   17    2 o   80.015   9.9755  1011.70  238.336  1715.75  1011.53  970.317  245.240   95.810   30.622   78.181   10.546 17.62843 32.38765 
1 1 1   18   17    3 o  203.441   4.1388  6339.02  256.996  6522.46  357.934  6143.82  369.223  206.035   5.6917  199.877   6.0521 6.157852 8.308081 
1 1 1   18   17    4 o   78.827   7.1662  966.195  170.535  928.597  237.675  1006.09  244.829   76.468   10.457   79.688   10.307 -3.220024 14.68330 
1 1 1   18   17    5 o  166.746   3.9558  4257.42  201.330  4266.11  221.086  4215.19  487.245  166.860   4.3410  164.259   9.7625 2.600601 10.68412 
1 1 1   18   17    6 o  249.848   5.0835  9579.76  387.664  9579.38  428.327  9581.50  911.570  249.689   5.6203  246.693   12.106 2.995834 13.34741 
1 1 1   18   17    7 o  107.983   8.0774  1814.52  264.292  1612.47  554.494  1873.92  300.639   97.504   19.315  109.471   9.0796 -11.96703 21.34251 
1 1 1   18   17    8 o   85.559   19.964  1257.78  511.836  1257.78  511.836   0.0000   0.0000   85.559   19.964  ?   ?  0.000000 19.96446 
1 1 1   18   17    9 o  118.491   5.6014  2157.87  202.579  2157.87  202.579   0.0000   0.0000  118.491   5.6014  ?   ?  0.000000 5.601367 
1 1 1   18   17   10 o  242.389   17.404  9630.53  1279.04   0.0000   0.0000  9630.53  1279.04  ?   ?   242.389   17.404 0.000000 17.40427 
1 1 1   18   17   11 f   71.995   3.6669  795.564   80.311  1036.51  136.917  669.181   99.162   81.939   5.5065   65.843   4.9708 16.09644 7.418270 
1 1 1   18   17   12 o  117.954   29.715  2656.87  1069.29  2656.87  1069.29   0.0000   0.0000  117.954   29.715  ?   ?  0.000000 29.71481 
1 1 1   18   17   13 f  113.877   6.9801  2010.02  241.442  1926.77  285.905  2217.01  450.803  111.072   8.4978  117.588   12.766 -6.516022 15.33532 
1 1 1   18   17   14 o  113.536   4.0001  1975.18  138.620  2001.24  241.439  1962.37  169.305  113.606   6.9969  113.053   4.9065 0.5534515 8.545761 
1 1 1   18   17   15 o  202.581   9.5654  6411.21  591.451  6596.41  779.463  6159.87  908.065  203.414   12.617  194.515   15.421 8.899460 19.92480 
1 1 1   18   17   16 o  140.572   4.0931  3029.07  175.617  3236.81  275.702  2887.23  227.815  144.889   6.2343  137.007   5.4478 7.882065 8.279187 
1 1 1   18   17   17 o   69.842   8.0786  767.166  169.036  779.059  195.429  731.840  336.817   70.039   9.3772   65.565   16.765 4.473534 19.20945 
1 1 1   18   18    0 o   77.472   12.796  1005.03  277.766  1005.03  277.766  1005.03  277.766   77.472   12.796   77.472   12.796 0.000000 0.000000 
1 1 1   18   18    1 o  121.270   4.7415  2256.56  175.504  2660.30  460.103  2187.81  189.859  129.396   11.779  119.341   5.2123 10.05572 12.88039 
1 1 1   18   18    2 o  146.604   7.8821  3338.61  351.404  3331.87  648.245  3341.42  418.177  143.217   15.055  146.118   9.4267 -2.901306 17.76266 
1 1 1   18   18    3 o  130.678   5.0648  2622.38  202.013   0.0000   0.0000  2622.38  202.013  ?   ?   130.678   5.0648 0.000000 5.064783 
1 1 1   18   18    4 o  207.781   5.4943  6637.50  348.449  6659.35  401.608  6570.93  700.815  207.874   6.3297  204.049   11.297 3.824677 12.94907 
1 1 1   18   18    5 o  194.359   5.6771  5810.92  336.781  5721.85  397.477  6037.62  634.099  192.545   6.7634  195.911   10.644 -3.366089 12.61122 
1 1 1   18   18    6 o  147.346   8.1361  3377.80  364.488  3519.20  682.216  3321.32  431.187  146.876   15.450  145.496   9.7662 1.380157 18.27745 
1 1 1   18   18    7 o  114.708   14.568  2143.36  498.544  2143.36  498.544   0.0000   0.0000  114.708   14.568  ?   ?  0.000000 14.56788 
1 1 1   18   18    8 o   85.126   17.720  1230.69  445.449  1230.69  445.449   0.0000   0.0000   85.126   17.720  ?   ?  0.000000 17.72044 
1 1 1   18   18    9 o   75.546   4.9850  880.349  114.299  867.645  122.627  964.464  315.543   74.928   5.3981   76.527   14.026 -1.599159 15.02891 
1 1 1   18   18   10 o  136.159   4.2390  2842.72  176.169  2853.54  187.492  2761.19  514.752  136.376   4.5043  131.037   13.044 5.338531 13.79939 
1 1 1   18   18   11 o   57.103   15.177  547.017  269.061  153.823  1015.19  576.724  279.040   62.434   27.479   58.567   15.404 3.866966 31.50158 
1 1 1   18   18   12 o  102.464   31.368  2118.41  1072.99  2118.41  1072.99   0.0000   0.0000  102.464   31.368  ?   ?  0.000000 31.36832 
1 1 1   18   19    0 o   84.037   13.996  1191.07  329.052  1191.07  329.052  1191.07  329.052   84.037   13.996   84.037   13.996 0.000000 0.000000 
1 1 1   18   19    1 o  135.654   7.5621  2861.37  311.860  2957.34  392.042  2695.99  514.634  137.227   9.4170  129.232   13.234 7.994690 16.24225 
1 1 1   18   19    2 o  214.800   7.7123  7157.96  505.635  6987.73  719.813  7323.77  710.433  210.029   11.270  215.322   10.845 -5.293198 15.64001 
1 1 1   18   19    3 o   92.499   3.5599  1310.39  100.508  1284.00  140.990  1337.66  143.317   91.258   5.0819   93.155   5.0595 -1.896904 7.171092 
1 1 1   18   19    4 o   54.381   5.9864  461.195   97.718  468.532  109.639  432.850  215.493   54.670   6.7115   51.040   13.591 3.629330 15.15756 
1 1 1   19    0    2 o  193.544   12.986  5842.32  759.222  5842.32  759.222  5842.32  759.222  193.544   12.986  193.544   12.986 0.000000 0.000000 
1 1 1   19    0    3 o  214.152   7.1713  7041.04  467.555  7041.04  467.555  7041.04  467.555  214.152   7.1713  214.152   7.1713 0.000000 0.000000 
1 1 1   19    0    4 o  206.537   5.9136  6537.87  372.099  6537.87  372.099  6537.87  372.099  206.537   5.9136  206.537   5.9136 0.000000 0.000000 
1 1 1   19    0    5 o   86.958   7.0746  1179.71  184.913  1179.71  184.913  1179.71  184.913   86.958   7.0746   86.958   7.0746 0.000000 0.000000 
1 1 1   19    0    6 o  239.027   7.5223  8771.19  547.573  8771.19  547.573  8771.19  547.573  239.027   7.5223  239.027   7.5223 0.000000 0.000000 
1 1 1   19    0    9 o  136.344   5.9061  2858.34  244.734  2858.34  244.734  2858.34  244.734  136.344   5.9061  136.344   5.9061 0.000000 0.000000 
1 1 1   19    0   10 o  303.983   8.6372 14194.87  799.922 14194.87  799.922 14194.87  799.922  303.983   8.6372  303.983   8.6372 0.000000 0.000000 
1 1 1   19    0   11 o   76.388   6.8787  914.298  157.389  914.298  157.389  914.298  157.389   76.388   6.8787   76.388   6.8787 0.000000 0.000000 
1 1 1   19    0   12 o  174.077   6.2630  4652.97  331.793  4652.97  331.793  4652.97  331.793  174.077   6.2630  174.077   6.2630 0.000000 0.000000 
1 1 1   19    0   13 o   48.872   20.260  520.870  300.649  520.870  300.649  520.870  300.649   48.872   20.260   48.872   20.260 0.000000 0.000000 
1 1 1   19    0   14 f   49.345   8.9934  408.086  122.132  408.086  122.132  408.086  122.132   49.345   8.9934   49.345   8.9934 0.000000 0.000000 
1 1 1   19    0   15 o   67.963   16.942  832.866  304.080  832.866  304.080  832.866  304.080   67.963   16.942   67.963   16.942 0.000000 0.000000 
1 1 1   19    0   16 o   67.034   23.874  925.360  445.372  925.360  445.372  925.360  445.372   67.034   23.874   67.034   23.874 0.000000 0.000000 
1 1 1   19    0   17 o   44.249   23.213  451.006  413.862  451.006  413.862  451.006  413.862   44.249   23.213   44.249   23.213 0.000000 0.000000 
1 1 1   19    0   18 o  399.860   26.095 25833.98  3153.65 25833.98  3153.65 25833.98  3153.65  399.860   26.095  399.860   26.095 0.000000 0.000000 
1 1 1   19    0   19 o  283.900   19.804 12816.97  1696.90 12816.97  1696.90 12816.97  1696.90  283.900   19.804  283.900   19.804 0.000000 0.000000 
1 1 1   19    0   20 o  116.970   14.193  2207.61  486.861  2207.61  486.861  2207.61  486.861  116.970   14.193  116.970   14.193 0.000000 0.000000 
1 1 1   19    0   21 f  129.607   13.036  2673.04  503.744  2673.04  503.744  2673.04  503.744  129.607   13.036  129.607   13.036 0.000000 0.000000 
1 1 1   19    0   22 o  532.719   12.387 43923.84  2011.68 43923.84  2011.68 43923.84  2011.68  532.719   12.387  532.719   12.387 0.000000 0.000000 
1 1 1   19    0   23 o  141.389   5.4954  3072.53  236.339  3072.53  236.339  3072.53  236.339  141.389   5.4954  141.389   5.4954 0.000000 0.000000 
1 1 1   19    0   24 o   14.316   9.4741 -25.8362  108.244 -25.8362  108.244 -25.8362  108.244   14.316   9.4741   14.316   9.4741 0.000000 0.000000 
1 1 1   19    0   25 o   48.208   18.981  499.229  268.119  499.229  268.119  499.229  268.119   48.208   18.981   48.208   18.981 0.000000 0.000000 
1 1 1   19    0   26 o  188.839   4.4233  5462.12  254.634  5462.12  254.634  5462.12  254.634  188.839   4.4233  188.839   4.4233 0.000000 0.000000 
1 1 1   19    0   27 o  239.738   4.0822  8795.00  298.513  8795.00  298.513  8795.00  298.513  239.738   4.0822  239.738   4.0822 0.000000 0.000000 
1 1 1   19    0   28 o   93.342   4.6897  1343.11  132.842  1343.11  132.842  1343.11  132.842   93.342   4.6897   93.342   4.6897 0.000000 0.000000 
1 1 1   19    0   29 o  108.594   3.5076  1808.07  115.986  1808.07  115.986  1808.07  115.986  108.594   3.5076  108.594   3.5076 0.000000 0.000000 
1 1 1   19    0   30 o   31.586   20.224   59.462  438.877   59.462  438.877   59.462  438.877   31.586   20.224   31.586   20.224 0.000000 0.000000 
1 1 1   19    0   31 o   80.922   33.710  1566.41  831.519  1566.41  831.519  1566.41  831.519   80.922   33.710   80.922   33.710 0.000000 0.000000 
1 1 1   19    0   32 o   60.500   11.839  627.907  194.682  627.907  194.682  627.907  194.682   60.500   11.839   60.500   11.839 0.000000 0.000000 
1 1 1   19    0   33 f   59.214   25.642  823.418  478.055  823.418  478.055  823.418  478.055   59.214   25.642   59.214   25.642 0.000000 0.000000 
1 1 1   19    1    0 o   97.669   4.8952  1468.52  145.093  1468.52  145.093  1468.52  145.093   97.669   4.8952   97.669   4.8952 0.000000 0.000000 
1 1 1   19    1    1 o  288.091   14.273 12870.72  1255.03 12870.72  1255.03   0.0000   0.0000  288.091   14.273  ?   ?  0.000000 14.27271 
1 1 1   19    1    2 o  289.115   5.9903 12792.76  528.612 12792.76  528.612   0.0000   0.0000  289.115   5.9903  ?   ?  0.000000 5.990320 
1 1 1   19    1    3 o  215.387   3.9173  7088.52  257.527  5633.46  418.375  7976.14  326.768  191.739   7.1489  228.414   4.6871 -36.67490 8.548380 
1 1 1   19    1    4 o  320.416   7.1580 15732.48  700.042 15707.70  804.021 15810.16  1423.27  319.952   8.2331  319.145   14.611 0.8076782 16.77102 
1 1 1   19    1    5 f  167.290   4.1940  4277.03  214.146   0.0000   0.0000  4277.03  214.146  ?   ?   167.290   4.1940 0.000000 4.193951 
1 1 1   19    1    6 o  360.349   9.1190 19951.11  1002.97   0.0000   0.0000 19951.11  1002.97  ?   ?   360.349   9.1190 0.000000 9.119006 
1 1 1   19    1    7 o  434.025   28.454 30768.97  3748.61   0.0000   0.0000 30768.97  3748.61  ?   ?   434.025   28.454 0.000000 28.45434 
1 1 1   19    1    8 o  296.647   7.3172 13489.74  662.527 13032.94  712.605 16401.39  1799.09  291.453   8.0106  322.856   18.333 -31.40320 20.00628 
1 1 1   19    1    9 o  173.059   5.6383  4582.90  297.824  4145.05  631.233  4708.28  337.784  163.204   12.774  175.350   6.3112 -12.14688 14.24792 
1 1 1   19    1   10 o  101.911   5.0863  1588.53  158.213  1640.45  358.666  1575.99  176.292  102.439   11.680  101.318   5.7241 1.121338 13.00723 
1 1 1   19    1   11 o  270.437   5.5576 11191.57  458.746 11150.54  479.089 11644.17  1591.19  269.906   5.8155  271.191   19.350 -1.285431 20.20542 
1 1 1   19    1   12 o  263.905   6.9628 10674.82  560.854 11019.66  1065.00 10542.48  659.752  266.682   13.084  262.036   8.2490 4.645599 15.46727 
1 1 1   19    1   13 o  235.242   4.1284  8458.48  296.421  8255.64  382.730  8762.54  468.586  232.276   5.3985  239.169   6.4190 -6.893234 8.387311 
1 1 1   19    1   14 o  254.635   5.7087  9925.41  443.681 10244.62  831.359  9798.28  524.641  257.748   10.568  252.839   6.7983 4.909042 12.56549 
1 1 1   19    1   15 o  207.315   4.5183  6572.06  285.905  7098.95  769.445  6487.66  307.954  213.927   11.830  205.944   4.8991 7.982910 12.80432 
1 1 1   19    1   16 o  280.404   6.4761 12049.19  554.261 12304.86  642.053 11301.34  1098.08  283.178   7.4284  269.758   13.337 13.42020 15.26583 
1 1 1   19    1   17 o   96.307   5.0133  1422.94  146.858  1864.63  392.572  1351.06  158.355  109.110   11.985   93.779   5.5571 15.33081 13.21107 
1 1 1   19    1   18 o  171.210   8.6768  4520.46  451.942  4514.72  560.440  4531.12  764.237  170.612   10.818  169.717   14.904 0.8951111 18.41646 
1 1 1   19    1   19 o  213.628   5.8848  6991.31  383.715  6896.81  972.245  7008.75  417.616  209.377   15.320  213.820   6.3990 -4.443405 16.60259 
1 1 1   19    1   20 o  217.202   5.9503  7228.99  394.472  6886.75  1004.40  7291.40  428.938  208.876   15.873  218.061   6.4446 -9.184952 17.13157 
1 1 1   19    1   21 o   85.062   5.6143  1113.19  144.943  1080.26  153.531  1383.10  439.514   83.735   6.0479   92.537   16.149 -8.801956 17.24399 
1 1 1   19    1   22 o  123.606   4.4249  2337.44  166.939  2442.10  183.939  1848.43  397.589  126.318   4.7708  108.388   12.232 17.92999 13.12949 
1 1 1   19    1   23 o  204.978   3.9905  6425.67  249.663  7265.15  387.489  5829.81  326.457  217.695   5.8317  195.060   5.4833 22.63577 8.004679 
1 1 1   19    1   24 o   84.244   4.4333  1089.09  113.594  1084.22  135.320  1100.69  209.025   83.956   5.3081   84.132   8.2459 -0.1765823 9.806634 
1 1 1   19    1   25 o   49.243   6.0151  377.515   88.529  377.962  167.456  377.342  104.295   48.343   11.514   49.030   7.1823 -0.6865463 13.57012 
1 1 1   19    1   26 o  151.495   2.9540  3507.42  136.591  3401.11  220.623  3573.49  173.935  149.006   4.8510  152.852   3.7282 -3.846329 6.118126 
1 1 1   19    1   27 o   61.922   4.2562  589.716   79.953  585.321   90.634  605.136  169.767   61.618   4.8586   61.866   9.2764 -0.2486572 10.47177 
1 1 1   19    1   28 o  109.934   2.9555  1847.31   99.172  1780.65  156.005  1892.51  128.471  107.799   4.7414  111.215   3.7846 -3.416199 6.066648 
1 1 1   19    1   29 o   38.745   7.0235  238.246   80.001  204.027  104.760  286.120  123.912   35.632   9.4703   42.089   9.8244 -6.457199 13.64577 
1 1 1   19    1   30 f  119.918   5.3802  2207.57  196.925  2211.86  230.423  2195.97  379.254  119.737   6.3274  118.157   10.630 1.580582 12.37055 
1 1 1   19    1   31 o  108.697   4.5341  1811.12  150.425  1916.51  813.286  1807.39  153.066  102.995   25.898  108.576   4.6188 -5.581192 26.30619 
1 1 1   19    1   32 o  111.290   6.6694  1915.99  225.504  1930.60  233.334  1709.20  877.880  111.667   6.8795   95.766   28.160 15.90086 28.98808 
1 1 1   19    1   33 o  132.524   4.3934  2692.72  177.712  2687.46  181.057  2831.17  928.687  132.382   4.4809  125.530   25.115 6.852295 25.51197 
1 1 1   19    2    0 o  453.679   11.915 31707.79  1647.36 31707.79  1647.36 31707.79  1647.36  453.679   11.915  453.679   11.915 0.000000 0.000000 
1 1 1   19    2    1 o  364.821   6.7952 20386.87  756.662 18631.54  1068.09 22155.33  1072.08  348.000   10.056  379.719   9.2501 -31.71912 13.66318 
1 1 1   19    2    2 f  321.342   6.6097 15814.03  648.285 15814.03  648.285   0.0000   0.0000  321.342   6.6097  ?   ?  0.000000 6.609694 
1 1 1   19    2    3 o  179.819   16.937  5089.98  918.659  5089.98  918.659   0.0000   0.0000  179.819   16.937  ?   ?  0.000000 16.93747 
1 1 1   19    2    4 o  211.607   7.0100  6860.79  452.759   0.0000   0.0000  6860.79  452.759  ?   ?   211.607   7.0100 0.000000 7.010025 
1 1 1   19    2    5 o  273.152   14.034 11598.63  1166.11   0.0000   0.0000 11598.63  1166.11  ?   ?   273.152   14.034 0.000000 14.03413 
1 1 1   19    2    6 o  257.451   10.593 10208.77  832.367  7311.43  1396.45 11805.43  1036.65  213.804   21.700  276.416   12.287 -62.61209 24.93691 
1 1 1   19    2    7 f  138.469   2.9034  2928.18  122.710  2830.30  168.669  3038.23  178.854  136.089   4.0606  140.995   4.1560 -4.905792 5.810423 
1 1 1   19    2    8 o  300.986   6.0129 13867.61  552.392 13687.84  722.458 14120.62  857.080  298.694   7.9244  303.087   9.2648 -4.392548 12.19154 
1 1 1   19    2    9 o  158.725   8.3505  3878.30  403.132  3531.25  449.235  5313.56  913.570  151.188   9.7876  183.793   16.460 -32.60539 19.14985 
1 1 1   19    2   10 o   55.403   5.0468  473.343   84.407  332.908  137.121  559.022  107.104   45.623   10.113   60.145   5.9107 -14.52183 11.71325 
1 1 1   19    2   11 o  120.179   7.7041  2224.70  281.108  2372.03  374.728  2035.07  425.118  123.730   10.008  114.056   12.412 9.673447 15.94439 
1 1 1   19    2   12 o  111.117   3.8959  1886.88  132.130  1981.17  191.931  1801.93  182.172  113.781   5.5266  108.372   5.5258 5.408882 7.815206 
1 1 1   19    2   13 o  157.073   5.6115  3776.17  269.026  4601.71  707.442  3636.60  290.879  171.671   13.613  154.095   6.1846 17.57616 14.95200 
1 1 1   19    2   14 o  125.657   4.7655  2414.85  182.774  2511.07  193.906  1648.28  547.309  128.124   4.9584  100.868   18.457 27.25627 19.11179 
1 1 1   19    2   15 o  302.570   14.518 14258.24  1340.80 14258.24  1340.80   0.0000   0.0000  302.570   14.518  ?   ?  0.000000 14.51843 
1 1 1   19    2   16 o  174.952   4.4117  4680.29  235.580  4889.57  332.604  4469.60  333.720  178.662   6.0993  170.785   6.4020 7.877319 8.842338 
1 1 1   19    2   17 f  322.343   6.8578 15934.33  674.718 16028.79  1233.96 15894.04  805.856  321.460   12.576  321.597   8.2097 -0.1372070 15.01881 
1 1 1   19    2   18 o   41.497   7.7308  272.898   94.315  275.611  280.604  272.553  100.142   45.073   16.114   41.396   8.2156 3.676792 18.08765 
1 1 1   19    2   19 f  289.092   5.5489 12798.27  489.617 13423.85  764.100 12362.48  637.749  295.400   8.4747  283.758   7.3635 11.64172 11.22680 
1 1 1   19    2   20 o  212.098   4.7919  6883.65  310.212  6694.90  451.872  7051.90  426.627  208.839   7.0890  214.431   6.5184 -5.592224 9.630385 
1 1 1   19    2   21 f  245.626   8.9896  9298.06  673.958  9254.40  927.086  9346.98  981.480  243.637   12.509  244.565   13.197 -0.9273834 18.18360 
1 1 1   19    2   22 o  309.278   7.3179 14697.84  690.796 15067.55  746.779 12505.63  1818.44  312.994   7.8170  277.364   21.651 35.62943 23.01934 
1 1 1   19    2   23 o  125.087   5.8242  2398.80  222.362  2249.58  283.144  2638.93  359.185  120.684   7.7273  130.470   9.0762 -9.785797 11.92008 
1 1 1   19    2   24 o   95.651   4.1193  1399.66  120.262  1394.01  127.225  1447.12  368.572   95.444   4.3673   95.422   12.993 0.2214813E-01 13.70705 
1 1 1   19    2   25 o  215.117   4.4710  7083.61  293.563  5938.25  611.145  7427.16  334.706  195.437   10.281  220.191   4.9802 -24.75481 11.42404 
1 1 1   19    2   26 o  230.116   3.2430  8095.03  227.775  7735.85  365.259  8323.58  291.368  224.628   5.3275  233.224   4.0931 -8.595490 6.718268 
1 1 1   19    2   27 o  127.527   3.6399  2487.60  141.680  2595.22  164.627  2180.28  278.205  130.212   4.1422  118.674   7.7226 11.53801 8.763329 
1 1 1   19    2   28 o  185.963   2.9105  5285.83  165.202  5520.02  244.523  5089.17  224.074  189.876   4.2192  182.341   4.0261 7.534241 5.831964 
1 1 1   19    2   29 o   40.007   6.2163  251.798   73.444  355.976  128.302  201.022   89.572   47.122   9.2508   35.354   8.4211 11.76812 12.50971 
1 1 1   19    2   30 o  123.095   3.9917  2320.03  149.974  2327.44  228.716  2314.45  198.639  123.023   6.0911  122.793   5.3000 0.2303696 8.074080 
1 1 1   19    2   31 o  110.565   5.2241  1876.74  176.297  1980.05  216.647  1674.23  303.324  113.246   6.2926  103.245   9.7405 10.00037 11.59633 
1 1 1   19    2   32 o   56.932   19.157  519.023  393.735  525.417  444.802  495.874  846.326   57.996   20.332   65.502   26.747 -7.505997 33.59759 
1 1 1   19    3    0 f  290.970   8.5085 13003.00  754.181 13003.00  754.181 13003.00  754.181  290.970   8.5085  290.970   8.5085 0.000000 0.000000 
1 1 1   19    3    1 o  175.767   8.5920  4743.13  460.944  4925.48  646.788  4554.94  657.080  178.229   11.959  171.196   12.665 7.032211 17.41880 
1 1 1   19    3    2 o  479.200   8.9158 35272.12  1304.05 35621.52  1935.08 34981.43  1765.04  479.718   13.216  475.907   12.151 3.811615 17.95293 
1 1 1   19    3    3 o  270.351   8.3452 11218.03  688.620   0.0000   0.0000 11218.03  688.620  ?   ?   270.351   8.3452 0.000000 8.345161 
1 1 1   19    3    4 f   98.483   7.4632  1495.37  222.670   0.0000   0.0000  1495.37  222.670  ?   ?    98.483   7.4632 0.000000 7.463176 
1 1 1   19    3    5 o  184.741   5.4271  5221.25  306.017  4315.48  625.480  5506.30  350.879  166.658   12.385  189.659   6.0613 -23.00117 13.78837 
1 1 1   19    3    6 o  235.825   4.1591  8499.53  299.370  7757.44  364.522 10037.17  524.713  225.193   5.3034  255.972   6.7160 -30.77924 8.557503 
1 1 1   19    3    7 o   81.907   11.461  1054.62  278.686  768.788  305.232  2486.74  683.232   69.046   14.919  124.615   18.527 -55.56899 23.78698 
1 1 1   19    3    8 o   42.184   9.3319  284.236  116.968  273.612  123.679  374.239  359.978   41.349   9.9257   51.834   18.281 -10.48540 20.80199 
1 1 1   19    3    9 o   84.766   6.1942  1106.05  159.150  1106.05  159.150   0.0000   0.0000   84.766   6.1942  ?   ?  0.000000 6.194160 
1 1 1   19    3   10 o   96.746   9.3324  1452.45  272.158  1351.91  318.858  1722.25  522.346   92.897   11.491  103.635   17.111 -10.73756 20.61078 
1 1 1   19    3   11 o  285.867   6.6830 12521.65  583.112 12530.44  671.129 12494.55  1177.84  285.780   7.6941  283.773   13.599 2.006897 15.62444 
1 1 1   19    3   12 o   40.138   13.949  225.537  209.151  105.756  276.296  386.287  320.079   38.165   15.393   51.182   17.272 -13.01707 23.13536 
1 1 1   19    3   13 o  119.669   4.8772  2190.38  178.143  2395.37  477.036  2157.16  192.035  123.696   12.821  118.734   5.2990 4.962440 13.87316 
1 1 1   19    3   14 o  219.547   6.1081  7382.56  409.312  7623.23  1055.04  7339.92  444.095  220.333   15.793  218.839   6.6486 1.493637 17.13535 
1 1 1   19    3   15 o  219.634   5.8121  7386.55  389.627  7323.27  412.685  7905.81  1182.19  218.643   6.1840  223.621   17.459 -4.978851 18.52160 
1 1 1   19    3   16 o  163.219   4.5706  4074.35  227.699  4074.35  227.699   0.0000   0.0000  163.219   4.5706  ?   ?  0.000000 4.570593 
1 1 1   19    3   17 o  223.150   4.9968  7619.49  340.332  8241.07  493.103  7054.05  470.309  231.785   6.9701  214.408   7.1866 17.37608 10.01145 
1 1 1   19    3   18 o  287.883   7.0549 12717.00  619.906 13765.83  1248.10 12373.54  714.230  297.264   13.756  283.685   8.2487 13.57837 16.03958 
1 1 1   19    3   19 f  275.354   6.0297 11619.04  506.761 11655.59  569.396 11479.81  1111.40  275.639   6.7679  271.493   13.412 4.146210 15.02291 
1 1 1   19    3   20 o  170.793   3.3723  4457.73  175.795  4384.03  276.399  4507.80  227.810  169.201   5.3520  171.672   4.3477 -2.471222 6.895368 
1 1 1   19    3   21 o  234.537   5.8598  8430.78  419.477  8430.78  419.477   0.0000   0.0000  234.537   5.8598  ?   ?  0.000000 5.859756 
1 1 1   19    3   22 o   51.903   7.4658  422.427  114.869  422.427  114.869   0.0000   0.0000   51.903   7.4658  ?   ?  0.000000 7.465794 
1 1 1   19    3   23 o  154.319   7.0788  3659.58  333.423  3394.32  376.330  4627.90  719.030  148.193   8.3541  171.357   13.866 -23.16463 16.18860 
1 1 1   19    3   24 o  100.170   5.4085  1542.29  164.745  1430.02  206.198  1740.47  273.948   96.194   7.0726  105.892   8.5488 -9.698593 11.09519 
1 1 1   19    3   25 o  200.566   3.5512  6151.17  217.396  5318.50  576.858  6289.00  234.701  184.897   10.262  202.773   3.7922 -17.87601 10.94023 
1 1 1   19    3   26 o  119.179   4.7388  2175.70  172.378  2127.04  219.443  2254.10  278.553  117.534   6.1384  120.724   7.5983 -3.190468 9.768023 
1 1 1   19    3   27 o  208.989   4.0069  6684.40  255.596  6859.07  738.926  6660.65  272.412  209.227   11.617  208.576   4.2790 0.6502991 12.37963 
1 1 1   19    3   28 o  122.957   3.2653  2311.87  122.544  2208.00  162.860  2447.44  186.054  120.061   4.4442  126.362   4.8240 -6.300850 6.559114 
1 1 1   19    3   29 o  147.118   3.1373  3309.55  140.875  3240.99  196.869  3381.50  201.674  145.445   4.4347  148.562   4.4476 -3.117554 6.280718 
1 1 1   19    3   30 o   60.017   10.693  578.626  188.693  389.755  678.763  594.445  196.436   59.800   24.123   60.772   10.995 -0.9718208 26.51057 
1 1 1   19    3   31 o  120.717   3.6391  2230.52  134.085  2208.25  222.172  2243.29  168.164  119.642   6.1043  120.962   4.5548 -1.319267 7.616323 
1 1 1   19    3   32 o   49.185   5.4927  376.336   81.051  414.541  105.629  321.633  126.392   51.386   6.9099   44.614   9.5688 6.771992 11.80288 
1 1 1   19    4    0 o  175.992   17.059  4930.02  896.581  4930.02  896.581  4930.02  896.581  175.992   17.059  175.992   17.059 0.000000 0.000000 
1 1 1   19    4    1 o  169.169   10.035  4419.26  515.832  4394.39  850.727  4433.72  648.679  166.908   16.934  168.861   12.678 -1.952927 21.15405 
1 1 1   19    4    2 o   72.560   25.570  766.777  704.115   0.0000   0.0000  766.777  704.115  ?   ?    72.560   25.570 0.000000 25.57010 
1 1 1   19    4    3 o  134.888   4.1999  2780.84  172.914  2405.61  555.866  2821.04  181.941  123.519   15.056  135.850   4.3879 -12.33067 15.68200 
1 1 1   19    4    4 o  119.808   4.1763  2193.82  152.718  2186.03  155.321  2420.28  837.693  119.592   4.2551  121.314   23.472 -1.722321 23.85446 
1 1 1   19    4    5 o  195.083   4.4704  5817.89  266.187  5785.02  274.341  6346.18  1099.94  194.520   4.6207  200.364   18.184 -5.844315 18.76187 
1 1 1   19    4    6 o  192.313   5.4191  5658.48  318.089  5482.86  352.675  6424.42  736.527  189.241   6.1058  203.602   11.904 -14.36082 13.37839 
1 1 1   19    4    7 o  108.469   3.3883  1797.34  112.178  1794.24  113.578  1920.85  716.693  108.374   3.4336  108.025   22.469 0.3487320 22.72950 
1 1 1   19    4    8 o  262.900   3.5997 10560.02  288.853 10360.00  371.933 10864.01  458.527  260.296   4.6814  266.437   5.6384 -6.140717 7.328524 
1 1 1   19    4    9 o  185.985   3.5859  5284.99  203.558  5094.69  244.027  5720.34  369.088  182.555   4.3795  193.267   6.2568 -10.71257 7.637300 
1 1 1   19    4   10 f  343.060   8.9962 18093.18  941.993 18093.18  941.993   0.0000   0.0000  343.060   8.9962  ?   ?  0.000000 8.996223 
1 1 1   19    4   11 o   85.734   4.8408  1127.73  126.156  1127.73  126.156   0.0000   0.0000   85.734   4.8408  ?   ?  0.000000 4.840809 
1 1 1   19    4   12 o   76.919   10.352  927.978  236.872  939.276  311.679  912.531  364.455   76.644   13.832   74.992   16.381 1.652306 21.43988 
1 1 1   19    4   13 o  184.197   5.9097  5195.44  332.253  5660.63  812.920  5102.14  364.048  190.276   14.098  182.467   6.5367 7.808319 15.53942 
1 1 1   19    4   14 o   72.470   5.4263  808.314  119.155  476.463  611.093  821.429  121.487   62.108   23.503   73.052   5.4887 -10.94342 24.13584 
1 1 1   19    4   15 o   50.738   5.6769  399.049   86.409  143.653  149.529  527.094  105.877   32.928   11.764   58.353   6.0316 -25.42501 13.22025 
1 1 1   19    4   16 o  292.534   11.235 13233.86  1003.20 13250.73  1220.53 13198.72  1761.30  291.787   13.705  287.340   20.211 4.447083 24.41949 
1 1 1   19    4   17 o  121.240   5.1658  2249.79  191.163  2207.82  211.999  2432.36  442.174  120.060   5.7852  124.783   11.748 -4.723732 13.09515 
1 1 1   19    4   18 o  306.807   5.5604 14415.67  520.701 14831.90  711.677 13936.18  763.853  310.760   7.5031  301.013   8.3140 9.746948 11.19904 
1 1 1   19    4   19 o  213.016   4.3430  6940.29  282.370  7364.61  389.749  6471.50  409.656  219.237   5.8244  205.409   6.5341 13.82869 8.753176 
1 1 1   19    4   20 o  157.365   4.5593  3788.93  218.988  3855.14  246.128  3537.37  479.725  158.686   5.0817  150.880   10.482 7.806000 11.64895 
1 1 1   19    4   21 o  128.613   5.0204  2532.62  197.078  2533.67  206.360  2521.84  664.587  128.620   5.2566  124.866   17.954 3.753807 18.70781 
1 1 1   19    4   22 o  119.227   7.8506  2196.75  284.089  1996.17  318.025  2988.99  632.046  113.343   9.2740  136.991   15.382 -23.64798 17.96137 
1 1 1   19    4   23 o  158.884   6.3572  3874.86  308.293   0.0000   0.0000  3874.86  308.293  ?   ?   158.884   6.3572 0.000000 6.357234 
1 1 1   19    4   24 o   90.524   6.4267  1264.66  176.415  1083.65  206.640  1751.23  338.793   83.447   8.2198  105.708   10.645 -22.26141 13.44947 
1 1 1   19    4   25 o   36.142   10.714  206.097  126.636  296.737  637.300  202.371  129.212   57.293   23.282   35.925   10.862 21.36772 25.69058 
1 1 1   19    4   26 o  133.604   5.4728  2738.11  223.176  2672.51  261.213  2915.44  429.475  131.856   6.4905  136.586   10.380 -4.729599 12.24175 
1 1 1   19    4   27 o  153.640   3.7687  3611.77  176.732  3578.81  593.560  3614.97  185.128  150.299   13.069  153.689   3.9465 -3.390564 13.65173 
1 1 1   19    4   28 o  106.828   3.4806  1745.73  113.490  1891.01  188.628  1663.30  142.085  110.841   5.5936  104.197   4.4676 6.644127 7.158774 
1 1 1   19    4   29 f  128.721   4.1694  2537.64  163.808  2652.31  252.547  2454.35  215.222  131.298   6.3018  126.414   5.5780 4.884155 8.415856 
1 1 1   19    4   30 o   76.042   4.8201  890.403  111.295  847.757  695.868  891.523  112.746   71.724   25.404   76.081   4.8810 -4.356903 25.86898 
1 1 1   19    4   31 o  225.112   4.0526  7762.71  278.453  7792.01  800.676  7758.67  296.992  222.133   11.852  224.995   4.3247 -2.861755 12.61652 
1 1 1   19    4   32 o  127.615   3.8451  2494.23  149.772  2553.14  163.766  2193.04  370.285  129.075   4.1568  117.930   10.393 11.14498 11.19386 
1 1 1   19    5    0 o   74.335   6.6318  865.234  147.711  865.234  147.711  865.234  147.711   74.335   6.6318   74.335   6.6318 0.000000 0.000000 
1 1 1   19    5    1 o  258.163   6.5869 10209.36  519.033 10020.21  1015.53 10276.24  603.860  254.027   13.143  258.840   7.6434 -4.812881 15.20374 
1 1 1   19    5    2 o  466.070   11.758 33547.09  1672.67 32083.52  4071.22 33844.31  1834.66  440.349   30.478  467.591   12.855 -27.24258 33.07833 
1 1 1   19    5    3 o  171.743   4.8604  4510.64  254.784  4510.64  254.784   0.0000   0.0000  171.743   4.8604  ?   ?  0.000000 4.860430 
1 1 1   19    5    4 o  158.100   4.0649  3820.11  196.153  3632.45  200.490  8017.52  948.183  154.156   4.2610  226.941   13.754 -72.78500 14.39854 
1 1 1   19    5    5 o  320.364   6.0329 15713.17  589.909 15646.70  614.633 16489.85  2101.02  319.639   6.3000  321.578   21.530 -1.938446 22.43272 
1 1 1   19    5    6 o   72.398   5.5273  806.725  121.216  730.847  173.954  878.347  169.004   68.466   8.5075   75.316   7.4494 -6.850220 11.30806 
1 1 1   19    5    7 o  157.022   3.4835  3766.87  166.954  3046.76  273.071  4196.74  210.979  141.039   6.3433  165.700   4.1716 -24.66063 7.592104 
1 1 1   19    5    8 o  298.514   6.4639 13651.13  588.951 12763.31  1025.77 14087.73  719.333  287.407   11.693  302.993   7.7782 -15.58575 14.04400 
1 1 1   19    5    9 o  236.314   3.8773  8534.35  279.663  7878.42  348.815  9714.77  467.933  226.943   5.0357  251.871   6.0868 -24.92847 7.899830 
1 1 1   19    5   10 o  197.703   5.8905  5984.56  355.453  5987.36  374.248  5958.71  1135.91  197.715   6.2016  193.282   19.522 4.432449 20.48360 
1 1 1   19    5   11 o  219.303   6.2531  7367.24  418.562  7302.12  443.049  7908.05  1276.71  218.278   6.6500  223.111   18.926 -4.833252 20.06077 
1 1 1   19    5   12 o   42.161   11.211  284.267  146.768  188.055  164.686  655.624  323.548   36.285   12.388   63.529   16.528 -27.24340 20.65556 
1 1 1   19    5   13 o  224.587   4.6421  7714.31  318.212  8388.75  459.730  7093.99  440.899  233.965   6.4378  215.114   6.7151 18.85118 9.302544 
1 1 1   19    5   14 o   41.013   6.5350  264.166   79.061  227.278  189.093  271.980   87.034   39.461   13.276   41.531   7.1223 -2.069763 15.06544 
1 1 1   19    5   15 o  441.466   9.6803 30038.95  1304.38 26738.17  3362.15 30623.77  1415.22  401.935   27.573  445.400   10.410 -43.46484 29.47238 
1 1 1   19    5   16 o   39.166   6.2109  240.821   71.770   78.453  134.529  305.417   84.853   28.210   10.938   44.170   6.4872 -15.96017 12.71690 
1 1 1   19    5   17 o  237.002   4.0075  8587.83  289.897  8504.84  312.647  9096.58  774.123  235.817   4.3437  242.642   10.453 -6.825684 11.31927 
1 1 1   19    5   18 o  105.313   4.5906  1696.81  147.562  1625.90  160.256  2091.94  378.296  103.060   5.0946  115.796   10.829 -12.73640 11.96762 
1 1 1   19    5   19 o   29.889   5.8677  141.643   51.619  135.566   67.444  150.236   80.202   29.159   7.5268   30.741   8.3371 -1.582512 11.23206 
1 1 1   19    5   20 o  169.520   3.6715  4393.18  189.971  3028.62  391.283  4814.03  217.299  139.817   9.2206  177.424   4.0126 -37.60703 10.05590 
1 1 1   19    5   21 f   99.727   3.9702  1521.01  120.849  1622.28  198.817  1461.67  152.192  102.626   6.3787   97.559   5.1290 5.067101 8.185024 
1 1 1   19    5   22 f  137.800   19.653  3106.85  803.167  3106.85  803.167   0.0000   0.0000  137.800   19.653  ?   ?  0.000000 19.65263 
1 1 1   19    5   23 o   82.124   7.0267  1044.31  174.437  1044.31  174.437   0.0000   0.0000   82.124   7.0267  ?   ?  0.000000 7.026747 
1 1 1   19    5   24 o   56.649   5.7519  497.314   98.073  503.935  117.424  482.042  178.336   56.839   6.9108   54.731   11.056 2.107651 13.03823 
1 1 1   19    5   25 o  115.358   16.848  2165.62  575.724  2106.94  751.612  2248.93  895.568  111.008   22.941  112.982   26.439 -1.973572 35.00459 
1 1 1   19    5   26 o   53.392   7.8065  448.755  123.460  575.159  162.325  275.286  190.158   60.300   9.1030   42.000   13.262 18.30063 16.08537 
1 1 1   19    5   27 o  130.188   15.517  2737.17  604.448  2921.32  811.641  2507.86  905.712  131.793   20.872  119.201   25.654 12.59174 33.07223 
1 1 1   19    5   28 o  168.546   6.8334  4376.10  351.539   0.0000   0.0000  4376.10  351.539  ?   ?   168.546   6.8334 0.000000 6.833393 
1 1 1   19    5   29 o   19.712   9.1359 -108.7346  130.816 -86.5376  141.930 -234.0334  337.212   21.504   9.7989   32.081   14.798 -10.57730 17.74810 
1 1 1   19    5   30 o   60.241   5.5610  562.304  101.096  598.429  118.896  468.019  192.082   62.021   6.3713   53.511   12.050 8.510098 13.63111 
1 1 1   19    5   31 o   92.731   3.6367  1316.42  102.932  1250.12  139.787  1394.94  152.130   90.088   5.1047   95.153   5.2585 -5.064713 7.328701 
1 1 1   19    6    0 o  246.298   7.3024  9310.67  547.873  9310.67  547.873  9310.67  547.873  246.298   7.3024  246.298   7.3024 0.000000 0.000000 
1 1 1   19    6    1 o  417.912   7.5997 26792.01  969.393 25236.35  1372.81 28339.19  1369.06  404.406   11.122  428.819   10.460 -24.41299 15.26778 
1 1 1   19    6    2 o  201.185   3.9132  6185.56  240.294  5329.93  398.719  6673.58  301.122  186.470   7.0055  208.906   4.7225 -22.43562 8.448667 
1 1 1   19    6    3 o  185.247   9.1988  5277.23  520.115  5050.33  644.260  5701.88  881.351  180.418   11.764  190.717   15.269 -10.29990 19.27475 
1 1 1   19    6    4 o  163.762   5.2696  4103.07  263.394  4103.07  263.394   0.0000   0.0000  163.762   5.2696  ?   ?  0.000000 5.269591 
1 1 1   19    6    5 o  201.388   5.8907  6209.23  362.094  6101.16  386.488  6985.24  1035.61  199.577   6.3447  210.833   16.218 -11.25549 17.41450 
1 1 1   19    6    6 o   57.441   8.8148  518.669  149.609  496.823  156.501  750.422  509.735   56.070   9.4828   68.816   21.711 -12.74651 23.69164 
1 1 1   19    6    7 o  180.640   7.7620  5007.99  427.963  4707.62  561.010  5426.08  661.885  174.407   10.589  187.023   11.653 -12.61609 15.74531 
1 1 1   19    6    8 o  182.696   7.8501  5123.71  437.745  4673.21  573.296  5753.59  677.899  173.688   10.869  192.606   11.585 -18.91797 15.88548 
1 1 1   19    6    9 o  254.392   8.7448  9949.32  679.002  9439.71  930.532 10529.66  993.017  246.581   12.403  260.716   12.479 -14.13571 17.59448 
1 1 1   19    6   10 o  153.666   3.9401  3609.14  184.800  3475.56  236.947  3816.56  295.266  150.714   5.1509  157.849   6.1285 -7.135086 8.005648 
1 1 1   19    6   11 o  107.580   4.4897  1769.82  147.423  1881.75  200.000  1636.65  218.158  110.688   5.9416  103.074   6.9754 7.614349 9.162911 
1 1 1   19    6   12 o  149.537   3.1280  3416.01  142.768  3663.67  204.511  3180.58  199.396  154.791   4.3287  144.212   4.5300 10.57906 6.265615 
1 1 1   19    6   13 o   27.410   8.7849  112.780   83.204   90.960  149.739  122.526  100.076   29.942   11.559   28.996   9.6573 0.9456482 15.06235 
1 1 1   19    6   14 o  169.109   3.7172  4370.86  191.867  3525.70  577.450  4475.74  203.425  150.178   12.717  171.113   3.8950 -20.93507 13.30026 
1 1 1   19    6   15 o  241.501   5.9989  8936.48  442.190  8209.13  1113.39  9072.69  481.819  228.139   16.093  243.252   6.4895 -15.11307 17.35173 
1 1 1   19    6   16 f   72.278   3.7539  800.697   82.529  453.355  153.872  940.968   97.783   53.393   9.8031   78.340   4.1037 -24.94613 10.62735 
1 1 1   19    6   17 o  136.402   3.3524  2843.21  139.569  2886.05  183.533  2784.46  214.924  137.361   4.3776  134.856   5.2215 2.504501 6.813796 
1 1 1   19    6   18 o   76.313   3.5778  890.183   83.337  524.217  151.076  1050.25   99.913   57.679   8.8653   82.877   3.9498 -25.19775 9.705345 
1 1 1   19    6   19 o  184.388   5.7433  5210.80  323.231  5172.56  374.858  5321.64  638.240  183.570   6.6903  184.863   11.367 -1.292465 13.18931 
1 1 1   19    6   20 o  239.611   12.234  8961.61  891.766  9862.71  1330.15  8225.92  1201.88  248.469   17.654  226.915   17.488 21.55458 24.84955 
1 1 1   19    6   21 o   64.996   7.6319  658.740  148.521  659.662  162.806  654.169  362.590   64.893   8.4180   63.155   17.958 1.738113 19.83351 
1 1 1   19    6   22 o  227.927   6.9887  7986.53  486.194  7986.53  486.194   0.0000   0.0000  227.927   6.9887  ?   ?  0.000000 6.988708 
1 1 1   19    6   23 o  118.553   5.9183  2156.89  214.156  2156.89  214.156   0.0000   0.0000  118.553   5.9183  ?   ?  0.000000 5.918326 
1 1 1   19    6   24 o   54.379   4.4381  455.772   73.021  385.049  109.251  512.877   98.171   49.460   7.4696   57.543   5.6629 -8.082550 9.373544 
1 1 1   19    6   25 o  152.306   3.7430  3548.98  174.001  3359.10  272.990  3678.90  225.816  147.879   6.0482  154.948   4.7748 -7.068558 7.705743 
1 1 1   19    6   26 o  169.414   4.7929  4399.09  247.834  4772.96  884.577  4367.24  258.174  171.452   17.133  168.765   5.0120 2.687256 17.85088 
1 1 1   19    6   27 o   65.009   8.2357  663.628  159.749   0.0000   0.0000  663.628  159.749  ?   ?    65.009   8.2357 0.000000 8.235661 
1 1 1   19    6   28 o   78.130   11.179  973.709  258.986   0.0000   0.0000  973.709  258.986  ?   ?    78.130   11.179 0.000000 11.17901 
1 1 1   19    6   29 o  137.140   4.1849  2881.38  175.173  2992.53  259.393  2788.19  237.513  139.458   6.0939  134.668   5.7784 4.789932 8.397977 
1 1 1   19    6   30 o  203.376   9.9092  6457.04  615.113  6470.62  1152.60  6451.63  727.349  196.697   19.453  202.010   11.848 -5.313095 22.77764 
1 1 1   19    7    0 o   67.259   23.244  917.707  430.020  917.707  430.020  917.707  430.020   67.259   23.244   67.259   23.244 0.000000 0.000000 
1 1 1   19    7    1 o  101.574   3.8885  1576.79  120.556  1786.79  199.807  1456.58  151.173  107.844   6.0951   97.443   5.1006 10.40125 7.947680 
1 1 1   19    7    2 o  253.809   4.7342  9851.96  366.754  9323.67  519.500 10376.88  517.840  246.616   6.9015  260.236   6.5195 -13.61938 9.493932 
1 1 1   19    7    3 o  103.182   5.7246  1634.81  179.580  1308.62  329.441  1772.71  214.202   91.196   12.137  107.358   6.5685 -16.16130 13.80028 
1 1 1   19    7    4 o  325.137   5.9741 16188.37  592.861 14759.44  831.781 17663.95  845.245  309.840   8.7954  339.131   8.1658 -29.29074 12.00161 
1 1 1   19    7    5 o  260.171   5.2020 10357.09  413.094  9630.51  552.963 11274.68  621.417  250.575   7.2301  271.068   7.5108 -20.49329 10.42528 
1 1 1   19    7    6 o  167.569   5.0192  4295.79  256.711  4039.81  511.578  4381.94  296.782  161.518   10.433  169.177   5.7475 -7.658737 11.91125 
1 1 1   19    7    7 o   59.926   3.3610  550.375   61.227  539.246   70.983  582.722  121.012   59.266   3.9466   61.316   6.5683 -2.049484 7.662727 
1 1 1   19    7    8 o  163.807   3.7063  4100.62  185.305  3844.11  254.464  4390.23  270.381  158.490   5.2603  169.377   5.2300 -10.88707 7.417780 
1 1 1   19    7    9 o  145.848   3.2074  3249.72  142.782  3080.30  177.969  3555.72  239.188  141.948   4.1077  152.436   5.1409 -10.48723 6.580405 
1 1 1   19    7   10 o   61.844   21.029  574.682  474.526  574.682  474.526   0.0000   0.0000   61.844   21.029  ?   ?  0.000000 21.02915 
1 1 1   19    7   11 o  174.798   17.255  4851.75  908.592  4851.75  908.592   0.0000   0.0000  174.798   17.255  ?   ?  0.000000 17.25522 
1 1 1   19    7   12 o  116.301   3.6944  2067.28  131.144  2097.77  182.765  2034.92  188.290  117.077   5.1145  115.294   5.3506 1.782578 7.401857 
1 1 1   19    7   13 o  149.790   3.1528  3427.96  144.145  3319.28  230.723  3497.53  184.607  147.262   5.1331  151.252   3.9988 -3.989380 6.506881 
1 1 1   19    7   14 o   71.514   4.2003  784.752   91.280  597.697  178.546  850.943  106.210   61.499   9.8438   74.431   4.6993 -12.93120 10.90797 
1 1 1   19    7   15 o  129.482   2.9738  2561.31  117.528  2405.06  201.253  2642.17  144.781  125.331   5.2610  131.478   3.6078 -6.146454 6.379174 
1 1 1   19    7   16 o   51.572   4.2210  409.490   65.861  316.910  122.767  446.902   78.042   44.518   9.3334   53.826   4.8006 -9.308826 10.49560 
1 1 1   19    7   17 o  105.957   3.3646  1715.80  108.812  1907.69  203.974  1639.48  128.645  111.388   6.0220  103.539   4.0707 7.849075 7.268760 
1 1 1   19    7   18 o   70.090   5.2746  756.690  112.013  875.291  638.209  752.920  113.779   73.744   24.380   69.902   5.3740 3.842026 24.96487 
1 1 1   19    7   19 o   64.896   4.4779  647.548   88.155  924.339  157.356  520.938  106.425   77.295   6.7372   57.960   6.1078 19.33588 9.093678 
1 1 1   19    7   20 o  120.106   3.9501  2206.47  144.806  2083.95  218.190  2302.92  193.584  116.375   6.1647  122.604   5.1731 -6.228951 8.047597 
1 1 1   19    7   21 o  196.419   3.8746  5901.30  232.286  5835.10  289.295  6021.43  389.700  195.187   4.8559  198.008   6.4481 -2.821228 8.072045 
1 1 1   19    7   22 o   82.311   6.9028  1049.04  171.820  1049.04  171.820   0.0000   0.0000   82.311   6.9028  ?   ?  0.000000 6.902842 
1 1 1   19    7   23 o  153.482   5.9480  3616.65  278.642  3616.65  278.642   0.0000   0.0000  153.482   5.9480  ?   ?  0.000000 5.947991 
1 1 1   19    7   24 o  163.551   5.9857  4108.41  298.805  3952.96  324.219  4985.04  769.919  160.312   6.6261  176.966   14.378 -16.65410 15.83171 
1 1 1   19    7   25 o   92.881   5.2936  1327.78  149.450  1421.80  181.987  1133.07  261.906   95.969   6.2470   84.722   10.343 11.24609 12.08304 
1 1 1   19    7   26 o  139.895   9.1707  3049.15  389.414   0.0000   0.0000  3049.15  389.414  ?   ?   139.895   9.1707 0.000000 9.170732 
1 1 1   19    7   27 o  101.785   4.1727  1586.90  129.636  1773.49  220.670  1488.56  160.193  107.074   6.7873   98.322   5.3582 8.751907 8.647396 
1 1 1   19    7   28 o  103.359   3.2497  1634.18  102.520  1584.70  145.366  1683.14  144.607  101.655   4.6851  104.782   4.5216 -3.127144 6.511128 
1 1 1   19    7   29 o   79.169   5.9452  969.686  142.610  1076.93  177.527  774.563  239.458   83.235   7.0542   69.269   11.745 13.96581 13.70101 
1 1 1   19    7   30 o  206.239   5.7570  6543.81  362.395  6801.30  405.636  5525.57  806.641  210.082   6.3260  185.182   14.384 24.89986 15.71379 
1 1 1   19    8    0 o  313.736   21.483 15665.63  2035.06 15665.63  2035.06 15665.63  2035.06  313.736   21.483  313.736   21.483 0.000000 0.000000 
1 1 1   19    8    1 o  341.038   5.9991 17813.87  624.461 18132.24  682.047 16163.76  1552.75  343.965   6.4966  321.430   15.827 22.53534 17.10847 
1 1 1   19    8    2 o  498.477   7.2112 38119.30  1097.16 36692.66  1405.27 40346.62  1755.89  488.158   9.4316  510.924   11.260 -22.76633 14.68783 
1 1 1   19    8    3 o  275.444   8.5599 11664.34  719.643 11005.42  1122.35 12124.38  937.795  265.618   13.892  280.163   10.967 -14.54462 17.69909 
1 1 1   19    8    4 o  167.926   5.0431  4314.65  258.486  2638.15  449.555  5142.64  315.933  130.134   11.434  183.272   5.6478 -53.13733 12.75289 
1 1 1   19    8    5 o  268.855   5.2969 11062.99  434.663 11244.57  1051.57 11025.57  477.351  269.187   12.799  268.318   5.8287 0.8686829 14.06348 
1 1 1   19    8    6 o  209.253   4.3158  6695.28  275.642  6330.68  381.311  7094.32  398.917  203.274   6.1458  215.195   6.0734 -11.92096 8.640468 
1 1 1   19    8    7 o  332.844   10.582 17106.08  1075.01 16593.50  1489.79 17662.90  1552.75  325.923   14.976  336.180   15.133 -10.25696 21.29014 
1 1 1   19    8    8 o  145.800   7.2330  3262.27  321.879  3288.00  399.340  3214.53  543.828  145.880   9.0129  143.413   12.550 2.467148 15.45120 
1 1 1   19    8    9 o  130.209   8.3377  2617.38  329.623  2496.07  444.853  2765.07  490.847  126.448   11.658  132.996   12.229 -6.547913 16.89502 
1 1 1   19    8   10 f  115.065   5.7865  2033.14  202.578  2017.36  208.946  2280.05  826.805  114.591   5.9949  116.721   24.009 -2.130165 24.74636 
1 1 1   19    8   11 o   80.125   9.5149  1003.27  228.150  1003.27  228.150   0.0000   0.0000   80.125   9.5149  ?   ?  0.000000 9.514942 
1 1 1   19    8   12 o  432.657   9.2140 28848.86  1216.78 28848.86  1216.78   0.0000   0.0000  432.657   9.2140  ?   ?  0.000000 9.214039 
1 1 1   19    8   13 o  182.080   3.2841  5066.03  182.516  5021.12  225.156  5152.10  311.686  181.208   4.0709  183.399   5.5680 -2.190887 6.897472 
1 1 1   19    8   14 o  214.271   4.7074  7025.78  307.869  5514.37  608.033  7546.86  357.017  188.502   10.611  221.999   5.2689 -33.49666 11.84731 
1 1 1   19    8   15 o   34.515   10.019  187.853  111.762   0.0000   0.0000  187.853  111.762  ?   ?    34.515   10.019 0.000000 10.01871 
1 1 1   19    8   16 o  271.524   7.6177 11337.14  631.316 12394.80  1637.05 11152.37  684.244  277.591   19.444  269.102   8.3306 8.489136 21.15357 
1 1 1   19    8   17 o  109.660   3.7952  1838.80  127.028  1850.56  192.562  1829.73  169.020  109.719   5.7703  109.305   5.0662 0.4139862 7.678740 
1 1 1   19    8   18 o  240.038   11.939  8971.98  874.719  9848.20  1316.30  8279.05  1170.56  248.136   17.492  227.735   16.962 20.40103 24.36537 
1 1 1   19    8   19 o   94.524   3.3803  1365.87   97.525  1455.34  134.430  1266.47  141.701   97.505   4.5170   90.775   5.1354 6.730385 6.839280 
1 1 1   19    8   20 o   62.821   5.2576  609.065   99.884  626.844  444.807  608.121  102.502   62.595   20.337   62.752   5.4043 -0.1573486 21.04258 
1 1 1   19    8   21 o  101.592   3.3816  1578.06  104.857  1551.48  141.346  1610.59  156.368  100.652   4.6009  102.520   4.9972 -1.867424 6.792662 
1 1 1   19    8   22 o  104.015   6.2169  1668.01  196.469  1668.01  196.469   0.0000   0.0000  104.015   6.2169  ?   ?  0.000000 6.216887 
1 1 1   19    8   23 o  196.588   6.3279  5941.10  379.694  5941.10  379.694   0.0000   0.0000  196.588   6.3279  ?   ?  0.000000 6.327899 
1 1 1   19    8   24 o  206.024   3.9429  6497.12  247.943  6575.62  308.873  6354.87  415.775  207.100   4.8863  203.185   6.7043 3.915268 8.295983 
1 1 1   19    8   25 f  136.840   5.4280  2874.73  226.711   0.0000   0.0000  2874.73  226.711  ?   ?   136.840   5.4280 0.000000 5.428029 
1 1 1   19    8   26 o  203.536   5.7191  6366.20  355.291   0.0000   0.0000  6366.20  355.291  ?   ?   203.536   5.7191 0.000000 5.719086 
1 1 1   19    8   27 o  176.055   5.1112  4757.87  274.655  4953.91  676.579  4719.18  300.532  176.644   12.632  175.232   5.6190 1.411743 13.82556 
1 1 1   19    8   28 o  104.469   3.1945  1669.54  101.862  1740.94  143.016  1596.03  145.115  106.565   4.3969  102.006   4.6609 4.560074 6.407589 
1 1 1   19    8   29 o  122.004   3.2752  2277.60  121.962  2312.00  166.239  2237.50  179.482  122.787   4.4357  120.733   4.8705 2.054192 6.587684 
1 1 1   19    9    0 o  485.465   21.299 37276.50  3142.09 37276.50  3142.09 37276.50  3142.09  485.465   21.299  485.465   21.299 0.000000 0.000000 
1 1 1   19    9    1 o  192.226   4.4551  5651.19  261.391  5535.53  277.578  6557.02  776.807  190.218   4.7810  205.214   12.461 -14.99597 13.34659 
1 1 1   19    9    2 f  350.288   6.1127 18801.24  653.542 18993.35  896.779 18583.65  954.407  351.459   8.3598  347.441   8.9998 4.018036 12.28343 
1 1 1   19    9    3 o  314.788   11.677 15346.15  1121.91 15162.95  1922.30 15440.79  1381.63  307.616   20.593  314.570   14.390 -6.953217 25.12213 
1 1 1   19    9    4 f  297.405   6.8862 13568.42  625.098 12768.78  1685.84 13695.88  673.078  282.750   19.656  298.684   7.3831 -15.93390 20.99732 
1 1 1   19    9    5 o  275.701   5.8501 11643.93  492.288 10642.23  1026.50 11943.14  561.013  261.699   12.851  279.080   6.5861 -17.38092 14.44042 
1 1 1   19    9    6 o  221.577   7.8860  7544.70  533.334  6870.38  707.038  8434.92  812.386  210.471   11.045  233.410   11.403 -22.93901 15.87508 
1 1 1   19    9    7 o  243.971   4.7462  9106.83  353.429  8269.79  493.022  9991.72  506.915  232.149   6.9579  255.264   6.5062 -23.11424 9.525966 
1 1 1   19    9    8 o  282.134   6.7187 12210.88  578.570 11007.09  1459.63 12435.27  630.192  262.985   18.298  284.593   7.2549 -21.60822 19.68393 
1 1 1   19    9    9 o  193.845   12.290  5857.94  723.394   0.0000   0.0000  5857.94  723.394  ?   ?   193.845   12.290 0.000000 12.29010 
1 1 1   19    9   10 o   69.082   6.0511  737.025  126.304  708.107  184.139  762.718  173.570   67.169   9.2254   69.930   8.2935 -2.761604 12.40527 
1 1 1   19    9   11 o  235.884   4.7397  8514.85  341.243  8219.06  459.641  8878.10  509.362  231.471   6.5059  240.487   6.9393 -9.015930 9.512137 
1 1 1   19    9   12 o   51.541   6.6698  414.357  102.465  281.396  123.292  711.264  184.239   41.862   9.8190   67.307   9.2098 -25.44489 13.46225 
1 1 1   19    9   13 o  172.142   3.0671  4527.81  161.148  4202.15  259.745  4731.60  205.473  165.655   5.1372  175.914   3.8268 -10.25932 6.405883 
1 1 1   19    9   14 o  114.677   5.4247  2014.84  189.875   0.0000   0.0000  2014.84  189.875  ?   ?   114.677   5.4247 0.000000 5.424671 
1 1 1   19    9   15 o  207.375   16.486  6846.28  1034.87   0.0000   0.0000  6846.28  1034.87  ?   ?   207.375   16.486 0.000000 16.48578 
1 1 1   19    9   16 o  285.127   8.2374 12527.41  716.878 12214.88  786.608 14059.48  1741.59  281.226   9.1640  295.103   19.444 -13.87701 21.49567 
1 1 1   19    9   17 o  224.910   5.2631  7751.64  361.298  7751.64  361.298   0.0000   0.0000  224.910   5.2631  ?   ?  0.000000 5.263088 
1 1 1   19    9   18 o   49.308   17.321  351.175  322.882  361.876  476.523  342.091  439.026   54.228   20.699   52.463   19.905 1.764778 28.71687 
1 1 1   19    9   19 o  145.587   4.0624  3243.42  180.519  3279.49  190.299  2919.31  570.443  146.375   4.2594  135.510   13.993 10.86517 14.62727 
1 1 1   19    9   20 o   83.776   6.8496  1086.69  173.615  1086.69  173.615   0.0000   0.0000   83.776   6.8496  ?   ?  0.000000 6.849590 
1 1 1   19    9   21 o  101.489   4.7086  1578.14  145.857  1569.88  476.405  1578.99  153.215   97.904   16.531  101.496   4.9458 -3.591995 17.25534 
1 1 1   19    9   22 o   53.488   6.7125  447.030  107.172  447.030  107.172   0.0000   0.0000   53.488   6.7125  ?   ?  0.000000 6.712456 
1 1 1   19    9   23 o  110.037   21.011  2059.53  679.951  2059.53  679.951   0.0000   0.0000  110.037   21.011  ?   ?  0.000000 21.01144 
1 1 1   19    9   24 o  171.695   5.6430  4528.51  295.725  4736.09  896.845  4503.19  313.244  170.112   17.524  171.141   5.9967 -1.029831 18.52139 
1 1 1   19    9   25 o   53.593   5.8080  446.595   93.485   0.0000   0.0000  446.595   93.485  ?   ?    53.593   5.8080 0.000000 5.808008 
1 1 1   19    9   26 o  129.598   4.8700  2577.03  192.639  2990.27  789.804  2550.89  198.639  132.934   20.092  128.913   5.0483 4.020432 20.71700 
1 1 1   19    9   27 o   70.663   4.6730  769.286  100.217  822.310  113.680  584.352  212.301   72.999   5.1348   59.872   12.035 13.12736 13.08458 
1 1 1   19   10    0 o  167.635   13.044  4418.27  658.123  4418.27  658.123  4418.27  658.123  167.635   13.044  167.635   13.044 0.000000 0.000000 
1 1 1   19   10    1 o   81.423   6.7319  1023.98  165.801  1071.48  267.344  994.290  211.358   82.540   10.877   79.882   8.8155 2.657600 14.00059 
1 1 1   19   10    2 o  188.453   5.1910  5437.08  298.585  5409.61  590.667  5446.51  346.055  186.812   10.400  188.515   6.0143 -1.702820 12.01407 
1 1 1   19   10    3 o  147.962   7.2829  3362.01  328.908  3139.69  540.395  3492.83  414.533  141.574   12.639  150.289   9.0794 -8.714615 15.56188 
1 1 1   19   10    4 o  251.659   5.8555  9704.62  449.771  8436.42  1205.67  9909.65  484.766  230.489   17.263  254.232   6.2472 -23.74228 18.35893 
1 1 1   19   10    5 f  184.074   5.0390  5186.74  283.109  4897.25  331.045  5974.89  546.230  178.741   6.0680  196.892   9.0893 -18.15068 10.92867 
1 1 1   19   10    6 o  164.025   3.9103  4113.50  195.765  4055.85  273.716  4173.88  280.103  162.722   5.5111  165.068   5.5595 -2.345276 7.828169 
1 1 1   19   10    7 o   70.352   4.3247  759.921   92.414  751.180  218.646  761.822  101.970   68.884   10.750   70.394   4.7742 -1.509460 11.76278 
1 1 1   19   10    8 o  102.576   4.3737  1609.61  136.936  1627.43  176.423  1582.61  217.180  102.908   5.6382  101.275   7.0703 1.633514 9.043132 
1 1 1   19   10    9 o   61.259   4.3083  576.872   80.042  676.210  149.474  536.933   94.777   65.901   7.5685   58.971   5.3230 6.930172 9.252876 
1 1 1   19   10   10 o   33.936   10.485  177.954  119.567  178.010  120.966  175.595  788.460   33.981   10.554   59.904   25.248 -25.92352 27.36527 
1 1 1   19   10   11 o   38.806   9.0066  241.500  104.622  245.711  105.481 -13.9679  821.569   39.144   9.0146   57.493   25.025 -18.34846 26.59873 
1 1 1   19   10   12 o  259.054   6.0192 10292.61  475.932 10292.61  475.932   0.0000   0.0000  259.054   6.0192  ?   ?  0.000000 6.019175 
1 1 1   19   10   13 o  137.265   5.2212  2886.58  218.752  2537.71  772.408  2917.00  228.090  123.638   21.233  137.967   5.4165 -14.32891 21.91307 
1 1 1   19   10   14 o  198.892   6.5442  6074.89  397.274   0.0000   0.0000  6074.89  397.274  ?   ?   198.892   6.5442 0.000000 6.544185 
1 1 1   19   10   15 o  191.233   15.754  5825.70  911.386   0.0000   0.0000  5825.70  911.386  ?   ?   191.233   15.754 0.000000 15.75447 
1 1 1   19   10   16 o  254.152   6.9661  9933.18  540.383  9770.20  585.724 10865.28  1400.75  251.870   7.6190  259.912   17.763 -8.041992 19.32838 
1 1 1   19   10   17 o  175.032   4.4237  4690.49  236.329  4407.34  339.895  4955.49  328.821  169.338   6.5762  179.667   5.9962 -10.32901 8.899429 
1 1 1   19   10   18 o   44.708   6.7352  314.117   89.057  280.373  175.302  325.855  103.392   42.044   12.638   45.360   7.7461 -3.315800 14.82278 
1 1 1   19   10   19 o  106.002   3.9613  1719.64  128.164  1638.64  188.468  1789.32  174.805  103.115   6.0143  108.009   5.3025 -4.893738 8.017996 
1 1 1   19   10   20 o  134.908   6.2212  2797.69  256.172  2797.69  256.172   0.0000   0.0000  134.908   6.2212  ?   ?  0.000000 6.221234 
1 1 1   19   10   21 o  159.179   5.9262  3893.44  287.925  3893.44  287.925   0.0000   0.0000  159.179   5.9262  ?   ?  0.000000 5.926217 
1 1 1   19   10   23 o  199.410   6.5143  6123.62  396.488   0.0000   0.0000  6123.62  396.488  ?   ?   199.410   6.5143 0.000000 6.514277 
1 1 1   19   10   24 o   18.164   7.1204   30.095   57.495   4.5626  144.288   34.914   62.686   25.150   10.709   19.129   7.4525 6.021658 13.04720 
1 1 1   19   10   25 o  202.942   11.113  6484.21  685.761  6710.04  1030.02  6304.41  919.065  202.545   16.813  197.372   15.377 5.173615 22.78486 
1 1 1   19   10   26 o  124.418   5.5208  2379.93  209.654  2452.56  233.432  2076.93  476.793  126.206   6.0599  113.205   14.105 13.00153 15.35159 
1 1 1   19   11    0 o  199.782   16.171  6334.63  971.243  6334.63  971.243  6334.63  971.243  199.782   16.171  199.782   16.171 0.000000 0.000000 
1 1 1   19   11    1 o  236.742   5.9182  8592.05  427.644  8367.67  477.763  9496.31  959.115  233.482   6.7041  246.551   12.789 -13.06934 14.43978 
1 1 1   19   11    2 o  126.897   6.7091  2478.58  258.931  2693.76  370.351  2272.82  362.155  131.813   9.2642  120.882   9.9024 10.93065 13.56036 
1 1 1   19   11    3 o  478.487   13.986 35830.30  2042.63 31898.17  4031.04 37188.78  2369.35  430.522   30.882  485.630   15.985 -55.10834 34.77336 
1 1 1   19   11    4 o  229.791   4.5802  8080.68  321.243  7537.10  1035.15  8138.61  337.928  218.249   15.643  230.582   4.8015 -12.33293 16.36346 
1 1 1   19   11    5 o  166.552   3.9316  4242.07  199.866  3613.20  289.057  4818.15  276.657  153.482   6.1703  177.376   5.1101 -23.89388 8.011611 
1 1 1   19   11    6 o  101.818   4.7397  1586.89  147.298  1429.65  197.323  1784.78  221.366   96.261   6.7589  107.603   6.7748 -11.34223 9.569723 
1 1 1   19   11    7 o  329.964   8.7642 16789.81  882.664 16311.64  1128.13 17544.59  1417.35  324.069   11.405  334.696   13.874 -10.62787 17.96033 
1 1 1   19   11    8 o  353.284   6.0818 19145.08  655.797 17762.00  891.421 20776.69  968.205  339.417   8.6046  367.077   8.6416 -27.65970 12.19494 
1 1 1   19   11    9 o  405.732   9.5580 25447.63  1183.65 24021.40  1367.25 29714.17  2364.78  393.142   11.394  431.515   17.955 -38.37222 21.26490 
1 1 1   19   11   10 o   61.640   6.9415  591.122  128.324  591.122  128.324   0.0000   0.0000   61.640   6.9415  ?   ?  0.000000 6.941512 
1 1 1   19   11   11 o  217.147   11.066  7345.01  730.985  7345.01  730.985   0.0000   0.0000  217.147   11.066  ?   ?  0.000000 11.06573 
1 1 1   19   11   12 o   55.960   22.153  330.602  561.583  330.602  561.583   0.0000   0.0000   55.960   22.153  ?   ?  0.000000 22.15261 
1 1 1   19   11   13 o  213.375   4.7965  6973.48  312.381  6692.17  436.086  7269.96  447.690  208.636   6.8480  217.480   6.7444 -8.844086 9.611567 
1 1 1   19   11   14 o   53.546   6.1998  446.084   99.452  152.867  713.804  451.889  100.432   56.559   23.941   53.894   6.2195 2.664211 24.73522 
1 1 1   19   11   15 o  175.375   19.997  5061.33  1051.27  5061.33  1051.27   0.0000   0.0000  175.375   19.997  ?   ?  0.000000 19.99713 
1 1 1   19   11   16 o  258.705   5.6546 10271.32  446.501 10271.32  446.501   0.0000   0.0000  258.705   5.6546  ?   ?  0.000000 5.654581 
1 1 1   19   11   17 o  207.787   5.9128  6631.08  375.000  6562.59  799.152  6650.41  424.656  203.925   12.906  207.905   6.6920 -3.979874 14.53767 
1 1 1   19   11   18 o   38.860   8.1329  241.869   93.367  347.455  427.522  236.581   95.677   51.946   19.659   38.389   8.3991 13.55736 21.37766 
1 1 1   19   11   19 o  125.430   3.5084  2406.84  134.317  2177.18  174.012  2745.37  211.268  119.172   4.7839  133.771   5.1743 -14.59873 7.046988 
1 1 1   19   11   20 o  181.368   6.0911  5058.38  337.192  4966.83  367.269  5549.69  850.778  179.577   6.7007  185.843   15.130 -6.265900 16.54741 
1 1 1   19   11   21 o  143.831   17.615  3405.73  757.157  3405.73  757.157   0.0000   0.0000  143.831   17.615  ?   ?  0.000000 17.61535 
1 1 1   19   11   23 o   67.397   5.9082  704.056  120.312  802.166  750.415  701.468  121.888   70.771   26.195   67.256   6.0007 3.515823 26.87325 
1 1 1   19   11   24 o   75.199   3.4565  865.499   79.335  1023.90  118.177  735.538  107.042   81.549   4.7686   69.019   5.1176 12.52916 6.994998 
1 1 1   19   11   25 o   71.905   8.6755  814.886  186.554  562.688  204.937  2034.52  450.675   58.726   11.842  112.261   13.419 -53.53441 17.89682 
1 1 1   19   12    0 o  140.348   15.558  3176.43  645.537  3176.43  645.537  3176.43  645.537  140.348   15.558  140.348   15.558 0.000000 0.000000 
1 1 1   19   12    1 o  131.790   6.5547  2667.10  263.665  2844.88  378.359  2499.25  367.630  135.405   9.2096  126.789   9.5703 8.615753 13.28186 
1 1 1   19   12    2 o  156.812   6.6063  3776.45  316.194  3713.84  451.124  3836.91  443.309  154.681   9.6027  157.320   9.2732 -2.639084 13.34930 
1 1 1   19   12    3 o  120.893   5.3566  2239.77  197.655  2179.80  241.510  2361.43  343.968  118.942   6.6795  123.302   9.2061 -4.359314 11.37400 
1 1 1   19   12    4 o   96.026   5.1529  1416.75  150.478  1332.77  178.317  1624.53  280.466   92.967   6.3217  102.166   9.0890 -9.199188 11.07134 
1 1 1   19   12    5 o   89.235   4.0976  1218.25  111.605  1186.03  265.164  1225.19  123.033   86.922   10.188   89.350   4.5262 -2.427689 11.14799 
1 1 1   19   12    6 o  121.000   5.0019  2242.82  184.731  2231.26  187.570  2616.11  1065.87  120.680   5.0923  121.285   29.153 -0.6051254 29.59452 
1 1 1   19   12    7 o  187.905   4.1687  5402.82  239.086  4912.57  316.314  6056.17  365.159  178.956   5.7910  198.656   6.0223 -19.69948 8.354880 
1 1 1   19   12    8 o  170.749   3.5143  4457.98  183.150  3995.69  316.157  4691.48  224.693  161.291   6.4221  175.091   4.2045 -13.80003 7.675980 
1 1 1   19   12    9 o   27.892   9.7893  106.792  103.127   92.066  117.367  156.675  216.008   27.767   10.343   36.816   13.964 -9.048645 17.37723 
1 1 1   19   12   10 o   25.624   10.197   53.904  119.574   53.904  119.574   0.0000   0.0000   25.624   10.197  ?   ?  0.000000 10.19715 
1 1 1   19   12   11 f   57.994   6.1974  522.349  108.002  522.349  108.002   0.0000   0.0000   57.994   6.1974  ?   ?  0.000000 6.197397 
1 1 1   19   12   12 o  101.657   6.0458  1592.53  186.742  1557.49  204.531  1768.06  457.808  100.415   6.7120  104.795   14.719 -4.380219 16.17685 
1 1 1   19   12   13 o   98.951   5.9351  1508.88  178.425  1508.88  178.425   0.0000   0.0000   98.951   5.9351  ?   ?  0.000000 5.935143 
1 1 1   19   12   14 o   82.227   7.7665  1052.20  192.613  1052.20  192.613   0.0000   0.0000   82.227   7.7665  ?   ?  0.000000 7.766490 
1 1 1   19   12   15 o   45.442   10.849  334.702  148.397  308.209  162.937  463.589  359.380   43.644   11.903   54.528   18.302 -10.88346 21.83194 
1 1 1   19   12   16 o   71.464   7.0141  794.233  151.023  794.233  151.023   0.0000   0.0000   71.464   7.0141  ?   ?  0.000000 7.014091 
1 1 1   19   12   17 o  203.135   6.5306  6351.78  404.906  6351.78  404.906   0.0000   0.0000  203.135   6.5306  ?   ?  0.000000 6.530605 
1 1 1   19   12   18 o   54.557   21.457  347.956  523.650  347.956  523.650   0.0000   0.0000   54.557   21.457  ?   ?  0.000000 21.45655 
1 1 1   19   12   19 o  109.922   5.6600  1861.67  189.254  1850.96  204.200  1926.91  503.954  109.514   6.1336  108.573   15.660 0.9416122 16.81854 
1 1 1   19   12   20 o  207.643   4.8802  6615.35  309.293  6273.41  444.151  6937.28  430.961  201.565   7.2194  212.147   6.6555 -10.58240 9.819124 
1 1 1   19   12   21 o   88.951   7.8678  1234.14  211.406  1234.14  211.406   0.0000   0.0000   88.951   7.8678  ?   ?  0.000000 7.867816 
1 1 1   19   12   22 o  141.077   14.315  3216.02  607.862  3216.02  607.862   0.0000   0.0000  141.077   14.315  ?   ?  0.000000 14.31484 
1 1 1   19   12   23 o  171.856   4.6310  4531.68  242.917  4461.35  254.898  5227.43  801.755  170.462   4.8991  179.706   14.747 -9.243942 15.53957 
1 1 1   19   13    0 o  168.506   16.046  4557.99  808.104  4557.99  808.104  4557.99  808.104  168.506   16.046  168.506   16.046 0.000000 0.000000 
1 1 1   19   13    1 o  215.038   9.1838  7154.77  602.774  6882.19  1084.67  7276.57  725.039  206.687   17.354  215.943   11.037 -9.255936 20.56676 
1 1 1   19   13    2 o  303.194   5.9676 14111.49  552.250 13906.82  657.867 14599.86  1016.23  300.598   7.1702  306.331   10.869 -5.732147 13.02095 
1 1 1   19   13    3 o   91.803   5.1501  1295.87  143.726  797.585  236.576  1587.37  180.948   70.713   11.345  101.531   5.8639 -30.81787 12.77051 
1 1 1   19   13    4 o  204.596   5.0477  6415.50  315.213  5529.72  539.498  6874.61  388.405  188.973   9.3535  211.602   6.0138 -22.62863 11.11994 
1 1 1   19   13    5 o  139.561   5.1834  2985.97  220.798  2895.18  263.991  3197.34  402.806  137.275   6.3006  143.423   9.2508 -6.149033 11.19265 
1 1 1   19   13    6 o  129.092   5.6879  2557.36  224.112  2557.36  224.112   0.0000   0.0000  129.092   5.6879  ?   ?  0.000000 5.687851 
1 1 1   19   13    7 o  108.306   3.2864  1793.52  108.640  1739.76  155.175  1845.20  152.151  106.560   4.7710  109.761   4.5416 -3.201996 6.587021 
1 1 1   19   13    8 o   67.889   7.5189  718.829  153.184  755.667  200.192  666.791  237.934   69.141   9.7574   64.167   12.598 4.973976 15.93501 
1 1 1   19   13    9 o   93.284   3.8272  1331.53  108.968  1328.26  200.866  1332.89  129.715   92.595   7.1630   93.280   4.5560 -0.6857452 8.489146 
1 1 1   19   13   10 f   36.728   11.416  210.271  141.501  224.857  165.278  170.235  273.833   38.314   12.392   40.031   15.582 -1.716530 19.90856 
1 1 1   19   13   11 o   52.397   23.133 -72.8751  724.904 -72.8751  724.904   0.0000   0.0000   52.397   23.133  ?   ?  0.000000 23.13288 
1 1 1   19   13   12 o  171.356   9.3414  4569.88  486.727  4558.48  648.250  4584.60  736.917  169.807   12.597  169.414   14.387 0.3931122 19.12295 
1 1 1   19   13   13 o  106.285   6.9198  1747.61  223.260  1747.61  223.260   0.0000   0.0000  106.285   6.9198  ?   ?  0.000000 6.919810 
1 1 1   19   13   14 o   33.792   11.674  163.850  146.390  160.863  165.127  174.817  316.401   34.442   12.356   41.984   16.625 -7.542019 20.71430 
1 1 1   19   13   15 o   60.873   5.5807  573.918  102.534  681.371  534.048  569.805  104.478   64.905   22.305   60.632   5.7129 4.273361 23.02503 
1 1 1   19   13   16 o  194.755   4.5975  5815.14  273.294  5935.95  394.055  5703.18  379.357  196.296   6.5770  192.441   6.4585 3.855103 9.217888 
1 1 1   19   13   17 o  124.180   5.9010  2371.82  223.665  2371.82  223.665   0.0000   0.0000  124.180   5.9010  ?   ?  0.000000 5.901044 
1 1 1   19   13   18 o   83.510   22.691  1232.96  593.432  1232.96  593.432   0.0000   0.0000   83.510   22.691  ?   ?  0.000000 22.69064 
1 1 1   19   13   19 f  117.577   3.4360  2115.73  123.310  2066.70  162.637  2182.02  189.117  116.078   4.5904  119.188   5.1985 -3.109825 6.935186 
1 1 1   19   13   20 o  100.041   7.6211  1557.95  230.959  1557.95  230.959   0.0000   0.0000  100.041   7.6211  ?   ?  0.000000 7.621114 
1 1 1   19   14    0 o   55.347   24.618  710.422  440.232  710.422  440.232  710.422  440.232   55.347   24.618   55.347   24.618 0.000000 0.000000 
1 1 1   19   14    1 o   93.542   5.8953  1349.29  167.457  1383.41  214.691  1296.29  267.591   94.422   7.5116   90.848   9.8057 3.573700 12.35218 
1 1 1   19   14    2 o   69.514   8.1448  756.440  169.533  939.391  257.043  615.579  225.546   76.778   11.307   61.590   12.427 15.18790 16.80096 
1 1 1   19   14    3 o  107.696   6.8834  1793.02  225.084  1906.35  330.428  1694.90  307.447  110.322   9.9190  104.007   9.8003 6.314476 13.94390 
1 1 1   19   14    4 o   93.401   4.5226  1336.56  128.932  1257.39  180.825  1418.42  183.889   90.157   6.6174   95.838   6.3219 -5.680954 9.151855 
1 1 1   19   14    5 o  107.955   4.0744  1784.28  134.251  1611.20  189.686  1957.98  190.035  102.204   6.1087  112.938   5.5128 -10.73448 8.228424 
1 1 1   19   14    6 o  123.679   3.3944  2339.66  128.135  2340.83  185.721  2338.60  177.014  123.556   4.9247  123.524   4.6950 0.3240204E-01 6.804123 
1 1 1   19   14    7 o   43.023   10.456  299.855  135.954  271.945  158.132  378.951  266.205   41.169   11.908   48.974   15.715 -7.805180 19.71712 
1 1 1   19   14    8 o   65.062   4.5940  651.951   90.644  645.911   95.419  707.811  290.177   64.722   4.8658   65.451   14.864 -0.7290268 15.64044 
1 1 1   19   14    9 o   28.132   11.767   27.993  169.204   27.993  169.204   0.0000   0.0000   28.132   11.767  ?   ?  0.000000 11.76708 
1 1 1   19   14   10 o   97.793   5.6816  1474.22  168.859  1474.22  168.859   0.0000   0.0000   97.793   5.6816  ?   ?  0.000000 5.681648 
1 1 1   19   14   11 o   76.789   4.7332  907.571  110.395  1212.35  442.496  887.342  114.000   84.998   17.634   75.895   4.9483 9.103432 18.31529 
1 1 1   19   14   12 f  171.982   4.2286  4531.58  221.970  4571.16  234.324  4185.56  692.757  172.696   4.4455  161.549   14.193 11.14766 14.87330 
1 1 1   19   14   14 o   93.774   14.249  1431.37  395.006   0.0000   0.0000  1431.37  395.006  ?   ?    93.774   14.249 0.000000 14.24931 
1 1 1   19   14   15 o  118.201   4.8797  2144.18  176.049  2062.60  645.339  2150.73  182.989  109.923   19.970  118.356   5.0655 -8.433044 20.60263 
1 1 1   19   14   16 o   92.960   4.4929  1325.26  127.480  1316.10  134.558  1405.52  398.306   92.487   4.7830   92.672   14.562 -0.1851349 15.32719 
1 1 1   19   14   17 o   22.330   7.5469   71.983   61.112   82.202  123.722   68.685   70.284   27.452   10.531   22.655   8.0684 4.797777 13.26628 
1 1 1   19   14   18 o   88.340   4.7872  1201.41  128.597  1041.19  473.411  1214.18  133.621   77.328   19.932   88.782   4.9507 -11.45447 20.53748 
1 1 1   19   15    0 o   99.645   5.9344  1538.14  179.021  1538.14  179.021  1538.14  179.021   99.645   5.9344   99.645   5.9344 0.000000 0.000000 
1 1 1   19   15    1 o  114.093   7.5448  2019.24  261.253  2126.76  465.285  1969.73  315.721  115.133   13.497  112.209   9.3024 2.924316 16.39177 
1 1 1   19   15    2 o  140.673   7.1578  3060.90  306.318  3207.97  468.465  2951.06  404.862  142.817   10.827  137.347   9.7204 5.470123 14.55055 
1 1 1   19   15    3 o  144.352   6.3003  3207.33  277.589  3191.44  380.875  3225.35  405.414  143.174   8.7578  143.760   9.2891 -0.5856781 12.76660 
1 1 1   19   15    4 o   47.226   8.4246  355.560  116.983  334.499  147.546  391.210  191.963   45.362   10.810   48.877   12.738 -3.515057 16.70682 
1 1 1   19   15    5 o   82.590   4.2231  1047.75  106.100  1061.84  116.785  981.147  253.914   83.091   4.6231   78.478   10.894 4.613869 11.83465 
1 1 1   19   15    6 o  170.126   6.4502  4457.82  334.934  4506.33  457.895  4402.00  491.192  170.148   8.8476  167.859   9.6274 2.287933 13.07538 
1 1 1   19   15    7 o  131.491   5.1554  2654.40  206.908  2613.69  226.292  2861.95  510.951  130.395   5.6858  134.027   12.639 -3.632065 13.85944 
1 1 1   19   15    8 o  162.402   6.0356  4058.44  299.174  3961.39  331.799  4480.43  691.862  160.274   6.7826  167.331   13.666 -7.057098 15.25631 
1 1 1   19   15    9 o   70.929   5.4355  777.459  116.779  777.459  116.779   0.0000   0.0000   70.929   5.4355  ?   ?  0.000000 5.435543 
1 1 1   19   15   10 o   57.914   7.5749  527.214  130.691  527.214  130.691   0.0000   0.0000   57.914   7.5749  ?   ?  0.000000 7.574945 
1 1 1   19   15   11 o   89.599   11.687  1284.29  311.999  1453.12  568.675  1211.59  373.180   91.389   20.848   85.847   14.775 5.542274 25.55282 
1 1 1   19   15   12 o  182.013   6.1173  5102.20  339.842   0.0000   0.0000  5102.20  339.842  ?   ?   182.013   6.1173 0.000000 6.117252 
1 1 1   19   15   13 o  101.047   27.774  1925.87  883.109  1925.87  883.109   0.0000   0.0000  101.047   27.774  ?   ?  0.000000 27.77386 
1 1 1   19   15   14 o  154.403   5.1609  3663.09  243.221  4235.33  620.415  3559.17  264.384  162.901   12.575  152.085   5.6955 10.81587 13.80493 
1 1 1   19   16    0 o   85.881   6.5120  1151.62  168.441  1151.62  168.441  1151.62  168.441   85.881   6.5120   85.881   6.5120 0.000000 0.000000 
1 1 1   19   16    1 o   36.701   13.228  184.741  189.451  320.089  886.546  178.265  193.931   62.796   26.636   36.558   13.351 26.23827 29.79508 
1 1 1   19   16    2 o   86.791   9.2065  1185.56  240.164  1028.38  922.298  1197.00  248.745   77.697   28.984   87.127   9.5081 -9.430450 30.50378 
1 1 1   19   16    3 o   94.539   5.2753  1377.47  151.616  1391.29  183.341  1347.55  269.655   94.803   6.3731   92.438   9.7021 2.364944 11.60805 
1 1 1   19   16    4 o  150.992   4.5848  3497.33  211.297  3495.53  242.666  3502.99  429.672  150.828   5.2712  149.587   9.4595 1.241180 10.82902 
1 1 1   19   16    5 o  155.716   9.9026  3804.52  468.208  3829.57  735.578  3787.45  607.067  152.962   15.992  153.837   13.052 -0.8757324 20.64198 
1 1 1   19   16    6 o   75.087   5.7400  872.474  130.556  836.956  145.756  1016.62  293.632   73.374   6.5781   79.212   12.564 -5.837273 14.18224 
1 1 1   19   16    7 o  121.760   9.7316  2330.35  358.643  2561.54  620.021  2214.10  439.661  124.337   16.765  117.592   12.438 6.744743 20.87541 
1 1 1   19   16    8 o   47.566   19.876  153.122  482.074  153.122  482.074   0.0000   0.0000   47.566   19.876  ?   ?  0.000000 19.87602 
1 1 1   19   16    9 o   21.779   9.4037  -9.4059  114.166  -9.4059  114.166   0.0000   0.0000   21.779   9.4037  ?   ?  0.000000 9.403700 
1 1 1   19   16   10 o   32.418   13.203   76.277  205.558  219.327  440.088   36.360  232.475   47.753   19.368   32.544   13.713 15.20880 23.73081 
1 1 1   20    0    0 o   67.574   31.694  1050.47  732.774  1050.47  732.774  1050.47  732.774   67.574   31.694   67.574   31.694 0.000000 0.000000 
1 1 1   20    0    1 o  140.198   4.5404  3013.40  193.830  3013.40  193.830  3013.40  193.830  140.198   4.5404  140.198   4.5404 0.000000 0.000000 
1 1 1   20    0    2 o   80.363   24.211  1250.66  517.769  1250.66  517.769  1250.66  517.769   80.363   24.211   80.363   24.211 0.000000 0.000000 
1 1 1   20    0    3 o   56.869   7.3533  519.509  121.759  519.509  121.759  519.509  121.759   56.869   7.3533   56.869   7.3533 0.000000 0.000000 
1 1 1   20    0    4 o   67.081   29.977  1041.57  652.665  1041.57  652.665  1041.57  652.665   67.081   29.977   67.081   29.977 0.000000 0.000000 
1 1 1   20    0    5 o  393.698   11.190 23924.18  1342.21 23924.18  1342.21 23924.18  1342.21  393.698   11.190  393.698   11.190 0.000000 0.000000 
1 1 1   20    0    6 o  195.126   13.148  5960.92  774.909  5960.92  774.909  5960.92  774.909  195.126   13.148  195.126   13.148 0.000000 0.000000 
1 1 1   20    0    7 o   56.242   6.9734  506.166  114.758  506.166  114.758  506.166  114.758   56.242   6.9734   56.242   6.9734 0.000000 0.000000 
1 1 1   20    0    8 o  242.353   13.413  9165.08  985.218  9165.08  985.218  9165.08  985.218  242.353   13.413  242.353   13.413 0.000000 0.000000 
1 1 1   20    0    9 o  321.034   6.6767 15802.41  653.591 15802.41  653.591 15802.41  653.591  321.034   6.6767  321.034   6.6767 0.000000 0.000000 
1 1 1   20    0   10 o  285.031   8.5391 12502.27  741.378 12502.27  741.378 12502.27  741.378  285.031   8.5391  285.031   8.5391 0.000000 0.000000 
1 1 1   20    0   11 o  200.390   16.932  6394.45  1018.59  6394.45  1018.59  6394.45  1018.59  200.390   16.932  200.390   16.932 0.000000 0.000000 
1 1 1   20    0   12 o  174.413   6.2715  4675.29  332.881  4675.29  332.881  4675.29  332.881  174.413   6.2715  174.413   6.2715 0.000000 0.000000 
1 1 1   20    0   13 o  301.797   7.7387 13997.67  711.797 13997.67  711.797 13997.67  711.797  301.797   7.7387  301.797   7.7387 0.000000 0.000000 
1 1 1   20    0   14 o   49.505   6.6109  394.849   94.901  394.849   94.901  394.849   94.901   49.505   6.6109   49.505   6.6109 0.000000 0.000000 
1 1 1   20    0   15 o  149.706   5.2117  3441.10  237.486  3441.10  237.486  3441.10  237.486  149.706   5.2117  149.706   5.2117 0.000000 0.000000 
1 1 1   20    0   16 o   68.067   16.014  826.784  289.017  826.784  289.017  826.784  289.017   68.067   16.014   68.067   16.014 0.000000 0.000000 
1 1 1   20    0   17 o  150.582   5.9388  3488.44  271.989  3488.44  271.989  3488.44  271.989  150.582   5.9388  150.582   5.9388 0.000000 0.000000 
1 1 1   20    0   18 o   25.770   13.619  149.426  143.249  149.426  143.249  149.426  143.249   25.770   13.619   25.770   13.619 0.000000 0.000000 
1 1 1   20    0   19 o  251.000   6.4084  9675.59  490.235  9675.59  490.235  9675.59  490.235  251.000   6.4084  251.000   6.4084 0.000000 0.000000 
1 1 1   20    0   20 f   53.889   6.3011  462.910   99.937  462.910   99.937  462.910   99.937   53.889   6.3011   53.889   6.3011 0.000000 0.000000 
1 1 1   20    0   21 o  134.078   11.025  2836.67  444.147  2836.67  444.147  2836.67  444.147  134.078   11.025  134.078   11.025 0.000000 0.000000 
1 1 1   20    0   22 o  103.399   5.4849  1651.31  171.990  1651.31  171.990  1651.31  171.990  103.399   5.4849  103.399   5.4849 0.000000 0.000000 
1 1 1   20    0   23 o   25.994   17.347 -99.1494  375.802 -99.1494  375.802 -99.1494  375.802   25.994   17.347   25.994   17.347 0.000000 0.000000 
1 1 1   20    0   27 o   38.329   25.487 -80.6748  798.761 -80.6748  798.761 -80.6748  798.761   38.329   25.487   38.329   25.487 0.000000 0.000000 
1 1 1   20    1    0 o  249.352   7.2058  9547.10  547.381  9547.10  547.381  9547.10  547.381  249.352   7.2058  249.352   7.2058 0.000000 0.000000 
1 1 1   20    1    1 o  252.964   5.1530  9792.99  397.865 10165.83  563.732  9422.94  561.607  257.399   7.1754  247.768   7.4262 9.630783 10.32647 
1 1 1   20    1    2 o  289.607   7.6452 12878.69  675.795 14287.72  1827.87 12655.59  727.331  299.062   20.142  286.930   8.3050 12.13187 21.78709 
1 1 1   20    1    3 o  197.677   4.4087  5975.77  266.004  5949.62  392.822  5997.91  361.500  197.003   6.5329  197.872   5.9856 -0.8692627 8.860373 
1 1 1   20    1    4 o  287.713   11.185 12801.65  982.268 12295.15  1715.92 13048.52  1197.97  277.082   20.434  289.582   13.554 -12.50076 24.52020 
1 1 1   20    1    5 o  195.867   4.9221  5870.05  294.259  5691.48  305.794  8104.01  1081.58  192.836   5.1955  226.943   15.711 -34.10628 16.54781 
1 1 1   20    1    6 o  131.365   5.9391  2643.71  238.131  3453.56  598.334  2491.28  259.574  148.433   13.350  127.281   6.7053 21.15219 14.93888 
1 1 1   20    1    7 o  280.306   5.9242 12037.40  506.848 11821.07  530.532 14299.40  1715.51  277.714   6.2589  299.754   18.846 -22.04031 19.85853 
1 1 1   20    1    8 f  163.212   5.9657  4081.56  297.191  3009.04  1028.76  4179.21  310.426  133.486   26.186  165.132   6.1590 -31.64604 26.90008 
1 1 1   20    1    9 o   81.047   4.6511  1008.23  114.576  649.209  159.761  1388.44  164.408   64.447   8.3157   95.038   5.6940 -30.59037 10.07831 
1 1 1   20    1   10 o  169.388   5.3663  4393.52  277.444  4143.53  594.705  4463.07  313.671  162.978   12.040  170.649   6.0222 -7.671631 13.46247 
1 1 1   20    1   11 o   96.235   4.5371  1416.85  133.270  1287.17  176.916  1586.98  202.635   91.396   6.3820  101.503   6.5760 -10.10665 9.163701 
1 1 1   20    1   12 o  114.098   9.0636  2019.03  313.044  2060.09  371.288  1918.07  582.176  114.901   10.710  108.625   18.203 6.276154 21.12045 
1 1 1   20    1   13 o   25.744   7.9906  101.403   69.355  229.366   92.106 -66.1557  105.397   37.888   8.2024   18.570   8.4550 19.31852 11.77989 
1 1 1   20    1   14 o   66.972   7.2287  697.017  145.421  671.892  153.479  917.625  454.787   65.639   7.8143   74.347   19.719 -8.708221 21.21054 
1 1 1   20    1   15 o  212.613   3.8534  6912.57  250.063  7280.17  391.813  6659.93  324.818  217.901   5.8912  208.534   5.1032 9.367111 7.794162 
1 1 1   20    1   16 o  152.903   3.8832  3575.51  181.225  3852.05  533.799  3539.49  192.668  157.117   11.205  152.108   4.1499 5.008652 11.94840 
1 1 1   20    1   17 o  129.176   3.6661  2551.53  144.545  2621.98  157.770  2183.38  360.662  130.926   3.9480  118.324   10.083 12.60259 10.82806 
1 1 1   20    1   18 o   93.141   5.9535  1336.46  168.367  1332.14  371.812  1337.57  188.837   91.181   13.791   93.065   6.6926 -1.884811 15.32882 
1 1 1   20    1   19 o  110.813   7.7837  1901.17  261.597  1764.46  331.095  2128.30  426.761  106.143   10.352  116.119   12.225 -9.976471 16.01866 
1 1 1   20    1   20 o  199.311   4.0510  6079.12  246.442  6238.66  275.156  5432.19  554.089  201.850   4.4661  186.944   9.7444 14.90585 10.71917 
1 1 1   20    1   21 o  109.736   4.6446  1844.70  155.566  2177.94  338.656  1755.57  175.139  118.175   9.4684  106.849   5.3876 11.32584 10.89392 
1 1 1   20    1   22 o  282.307   5.9723 12242.51  514.613 10883.67  999.487 12732.68  600.297  263.334   12.435  287.612   6.8382 -24.27835 14.19138 
1 1 1   20    1   23 o  202.587   8.6862  6354.38  537.104   0.0000   0.0000  6354.38  537.104  ?   ?   202.587   8.6862 0.000000 8.686212 
1 1 1   20    1   24 f  229.467   4.3687  8066.70  305.975  7668.21  489.137  8322.86  392.179  222.999   7.1864  232.816   5.5189 -9.816910 9.061053 
1 1 1   20    1   25 o  219.449   5.3687  7394.19  359.599  7830.87  400.078  5557.92  820.415  225.720   5.8071  186.229   14.549 39.49129 15.66505 
1 1 1   20    1   26 o  175.479   21.875  5247.76  1146.19   0.0000   0.0000  5247.76  1146.19  ?   ?   175.479   21.875 0.000000 21.87508 
1 1 1   20    1   27 o   47.214   8.0090  354.364  111.291  418.624  134.024  211.641  199.737   51.210   8.8975   38.560   13.616 12.64948 16.26496 
1 1 1   20    2    0 o  341.719   16.022 18260.48  1662.69 18260.48  1662.69 18260.48  1662.69  341.719   16.022  341.719   16.022 0.000000 0.000000 
1 1 1   20    2    1 o  210.296   4.7337  6765.26  303.844  6526.92  1080.96  6785.70  316.608  202.784   17.640  210.593   4.9256 -7.808914 18.31518 
1 1 1   20    2    2 o  391.973   9.4596 23671.65  1131.74 23233.56  1340.43 24759.27  2112.03  387.532   11.332  396.390   17.457 -8.858490 20.81235 
1 1 1   20    2    3 o  244.968   10.551  9267.54  788.932  8933.73  1335.14  9446.62  977.920  236.934   18.612  246.226   13.059 -9.291397 22.73627 
1 1 1   20    2    4 o  286.810   4.8482 12585.76  424.417 11917.58  695.625 12981.99  535.673  278.441   8.1851  291.089   6.0292 -12.64774 10.16598 
1 1 1   20    2    5 o  181.227   4.4349  5022.98  245.316  5536.05  344.445  4494.85  349.467  190.096   5.9365  171.201   6.6878 18.89487 8.942518 
1 1 1   20    2    6 f  340.409   9.3946 17856.69  976.100 17395.25  1068.34 20187.93  2401.29  335.605   10.430  353.478   22.372 -17.87308 24.68392 
1 1 1   20    2    7 o  206.942   5.7173  6559.50  361.126  3628.23  951.488  7052.81  390.332  149.077   21.535  214.548   5.9606 -65.47162 22.34512 
1 1 1   20    2    8 o   97.537   6.4793  1465.14  191.794  1366.81  198.421  2863.79  748.349   94.125   6.9559  133.129   18.952 -39.00416 20.18800 
1 1 1   20    2    9 o  267.571   8.4422 11016.43  689.460 10494.91  880.628 11842.39  1108.24  260.390   11.080  275.805   13.165 -15.41534 17.20710 
1 1 1   20    2   10 o  151.621   4.2879  3516.04  198.435  3219.66  271.123  3857.96  291.213  144.926   6.1292  158.656   6.0136 -13.72981 8.586656 
1 1 1   20    2   11 o  151.894   3.3692  3525.85  156.202  3314.80  243.360  3673.72  203.701  147.117   5.4196  154.978   4.3063 -7.861618 6.922182 
1 1 1   20    2   12 f   45.368   9.2601  328.777  123.888  324.106  128.462  390.892  468.438   44.984   9.6457   55.249   20.647 -10.26535 22.78913 
1 1 1   20    2   13 o  305.533   6.8968 14333.22  643.166 14288.81  727.809 14491.54  1374.14  304.794   7.8234  303.903   14.814 0.8910217 16.75310 
1 1 1   20    2   14 o   70.486   3.1805  759.232   68.425  779.710   83.266  716.644  120.078   71.306   3.8400   68.127   5.8309 3.178642 6.981751 
1 1 1   20    2   15 o   49.788   6.9106  387.922  102.186  632.244  316.504  359.491  107.968   62.112   16.439   47.758   7.6662 14.35386 18.13825 
1 1 1   20    2   16 o  241.173   10.096  9005.71  743.218  9297.10  924.266  8472.56  1250.22  243.835   12.461  229.781   17.969 14.05423 21.86669 
1 1 1   20    2   17 o  231.281   4.9060  8192.57  346.323  8560.46  477.506  7784.28  503.041  236.070   6.6271  224.952   7.3265 11.11870 9.879047 
1 1 1   20    2   18 f  272.546   5.1757 11383.35  430.555 11063.45  560.899 11842.23  671.789  268.272   6.8500  277.209   7.9398 -8.937286 10.48632 
1 1 1   20    2   19 o  112.680   4.3206  1943.56  148.596  1680.42  194.852  2309.29  229.720  104.437   6.1397  122.482   6.1645 -18.04501 8.700416 
1 1 1   20    2   20 f  196.950   12.695  6104.56  759.066  5258.83  1161.02  6735.94  1003.16  177.550   21.887  205.043   16.160 -27.49229 27.20674 
1 1 1   20    2   21 o   91.186   5.3228  1279.61  147.499  1451.97  797.457  1273.51  150.089   90.567   26.894   90.952   5.4314 -0.3845367 27.43691 
1 1 1   20    2   22 o   37.659   15.764   59.645  304.006   0.0000   0.0000   59.645  304.006  ?   ?    37.659   15.764 0.000000 15.76401 
1 1 1   20    2   23 o   51.912   8.0713  425.944  123.732   0.0000   0.0000  425.944  123.732  ?   ?    51.912   8.0713 0.000000 8.071293 
1 1 1   20    2   24 o   28.179   8.7324  122.697   82.866   65.912  528.508  124.128   83.903   47.771   20.423   28.343   8.7875 19.42830 22.23294 
1 1 1   20    2   25 o   48.031   5.0694  357.875   73.195  524.956  107.403  212.985  100.017   58.099   6.1502   36.338   9.0515 21.76098 10.94326 
1 1 1   20    2   26 o   68.212   6.4428  722.849  132.549  585.820  446.847  736.069  138.796   60.295   20.407   68.790   6.6954 -8.494484 21.47737 
1 1 1   20    2   27 o   75.640   5.5661  884.113  127.603  935.914  157.572  785.423  217.492   77.623   6.7170   70.137   10.481 7.485596 12.44874 
1 1 1   20    3    0 o  100.587   24.087  1834.22  641.489  1834.22  641.489  1834.22  641.489  100.587   24.087  100.587   24.087 0.000000 0.000000 
1 1 1   20    3    1 o  247.086   7.2528  9370.48  546.982  9102.57  594.266 10855.85  1399.29  243.378   7.9998  261.795   17.614 -18.41647 19.34570 
1 1 1   20    3    2 o  109.994   3.5880  1848.98  120.459  1720.70  150.936  2074.04  199.917  106.058   4.6626  116.376   5.6282 -10.31829 7.308649 
1 1 1   20    3    3 o  249.319   6.2063  9526.42  472.289  9472.31  983.256  9542.65  538.475  246.490   13.116  249.374   7.0745 -2.884918 14.90270 
1 1 1   20    3    4 o  248.789   4.3891  9466.15  333.288  9783.76  548.272  9280.00  419.746  252.492   7.1143  246.169   5.5865 6.323502 9.045531 
1 1 1   20    3    5 o  290.755   11.984 13108.37  1063.49 11521.85  1857.23 13882.37  1297.23  266.138   23.092  298.243   14.250 -32.10446 27.13546 
1 1 1   20    3    6 o  288.827   7.1113 12803.73  626.911 10339.07  1664.50 13211.15  676.746  252.810   21.784  293.278   7.5601 -40.46756 23.05837 
1 1 1   20    3    7 o   46.943   6.5645  344.437   91.484  320.430   92.179  1918.01  746.296   45.189   6.9021  106.921   23.508 -61.73198 24.50060 
1 1 1   20    3    8 o  102.871   5.9650  1627.10  186.489  1614.81  370.185  1631.27  215.884  101.294   12.220  102.873   6.9156 -1.579384 14.04145 
1 1 1   20    3    9 o   62.989   7.1177  616.762  134.442  574.549  139.793  1136.64  490.579   60.665   7.7251   82.845   19.691 -22.18018 21.15196 
1 1 1   20    3   10 o  134.913   7.7923  2807.36  319.510  2498.39  386.516  3474.10  567.787  126.786   10.071  148.947   12.608 -22.16092 16.13618 
1 1 1   20    3   11 o  263.861   5.0916 10659.46  410.057  9452.10  573.765 11919.95  586.254  247.985   7.5804  278.654   6.8929 -30.66893 10.24573 
1 1 1   20    3   12 o  251.333   4.7286  9667.74  362.745  8228.56  894.954  9950.65  396.801  229.468   12.829  254.925   5.0997 -25.45688 13.80575 
1 1 1   20    3   13 o   93.132   3.6873  1326.05  104.815  1415.79  130.587  1163.54  175.728   96.193   4.4478   86.809   6.6836 9.383408 8.028264 
1 1 1   20    3   14 o  192.837   5.5646  5698.95  327.526  5769.35  349.687  5195.72  934.902  193.973   5.9064  180.202   17.207 13.77176 18.19230 
1 1 1   20    3   15 o   38.748   4.8855  233.517   56.496  266.664   70.638  174.671   94.118   41.312   5.7586   33.114   9.0527 8.198483 10.72907 
1 1 1   20    3   16 o   79.210   4.9144  964.554  118.228  949.525  276.182  967.925  130.820   77.183   12.123   79.283   5.4389 -2.100746 13.28724 
1 1 1   20    3   17 o   66.125   5.4904  674.924  109.810  688.141  116.296  566.249  333.478   66.736   5.7660   58.965   17.361 7.770668 18.29334 
1 1 1   20    3   18 o   99.934   5.1972  1534.75  157.978  1860.09  776.922  1520.71  161.349  103.556   24.889   99.457   5.3346 4.099503 25.45400 
1 1 1   20    3   19 o   32.835   12.118  134.778  160.376  131.291  167.563  172.834  553.562   33.035   12.348   51.575   21.403 -18.53932 24.70989 
1 1 1   20    3   20 o   58.186   13.907  554.473  243.616  554.473  243.616   0.0000   0.0000   58.186   13.907  ?   ?  0.000000 13.90664 
1 1 1   20    3   21 o  154.079   5.6784  3644.32  267.047  3769.04  291.901  3004.09  661.357  156.622   6.1061  136.258   16.221 20.36382 17.33216 
1 1 1   20    3   22 o  223.733   4.7569  7672.09  324.840  8111.10  878.786  7602.61  349.602  226.731   12.750  222.636   5.1447 4.095016 13.74914 
1 1 1   20    3   23 o  303.851   6.0910 14194.07  564.896 14290.54  836.521 14113.21  765.909  303.552   9.0287  302.033   8.3082 1.519257 12.26964 
1 1 1   20    3   24 o   96.243   4.2389  1418.89  124.520  1517.56  654.760  1415.19  126.835   92.971   23.160   96.110   4.3236 -3.139175 23.55980 
1 1 1   20    3   25 o  255.404   4.7162 10003.23  367.648 10106.42  417.417  9646.27  776.373  256.546   5.3307  248.595   10.232 7.951538 11.53737 
1 1 1   20    3   26 o  174.951   3.8418  4686.78  205.148  4707.06  642.124  4684.47  216.494  172.297   12.291  174.874   4.0560 -2.577362 12.94281 
1 1 1   20    4    0 f   79.558   8.4903  1003.46  200.255  1003.46  200.255  1003.46  200.255   79.558   8.4903   79.558   8.4903 0.000000 0.000000 
1 1 1   20    4    1 o  164.467   5.5358  4142.24  277.890  4132.55  294.783  4219.60  832.838  164.238   5.8805  162.860   17.005 1.377731 17.99322 
1 1 1   20    4    2 o  100.028   5.6675  1537.35  172.322  1519.62  178.870  1766.31  642.743   99.416   5.9216  103.354   21.089 -3.937767 21.90448 
1 1 1   20    4    3 o  188.306   4.6000  5424.46  264.389  5364.41  274.447  6199.10  985.642  187.241   4.8022  197.908   16.466 -10.66681 17.15240 
1 1 1   20    4    4 o  220.303   6.3281  7440.64  425.512  5555.73  1142.05  7744.48  458.526  185.429   20.523  224.697   6.6857 -39.26804 21.58426 
1 1 1   20    4    5 o  172.940   5.4707  4580.08  288.770  2929.93  879.039  4779.71  305.738  133.245   22.410  176.646   5.6706 -43.40088 23.11600 
1 1 1   20    4    6 o   57.753   4.7041  513.691   82.200  411.309   97.024  774.077  154.730   51.414   6.3155   70.633   7.2815 -19.21900 9.638744 
1 1 1   20    4    7 o   61.713   4.9876  586.704   93.145  549.410  109.865  682.027  175.646   59.557   6.1314   65.952   8.9573 -6.394917 10.85484 
1 1 1   20    4    8 o  229.305   4.8810  8047.46  341.620  8056.25  356.920  7951.43  1179.42  229.400   5.0975  223.607   17.418 5.793167 18.14886 
1 1 1   20    4    9 o  143.230   4.8984  3140.01  214.145  3102.58  221.916  3646.60  816.403  142.355   5.1074  150.624   18.122 -8.269119 18.82755 
1 1 1   20    4   10 o  148.565   3.9774  3375.05  180.355  3257.99  189.021  4564.63  602.574  145.946   4.2433  171.131   11.605 -25.18533 12.35630 
1 1 1   20    4   11 o   91.353   4.2512  1276.56  118.537  772.432  154.962  1987.61  184.035   70.532   7.3040  113.918   5.2929 -43.38542 9.020152 
1 1 1   20    4   12 o  195.099   4.2234  5822.62  251.500  5148.53  632.306  5949.31  274.117  181.763   11.456  197.172   4.5548 -15.40919 12.32829 
1 1 1   20    4   13 o  147.978   3.9948  3349.06  180.429  2777.29  557.310  3416.01  190.700  132.467   13.996  149.434   4.1810 -16.96704 14.60702 
1 1 1   20    4   14 o   57.710   8.2478  523.207  141.149  525.443  144.720  479.557  639.332   57.796   8.4537   62.212   23.921 -4.415440 25.37075 
1 1 1   20    4   15 o  193.661   10.531  5832.64  620.131  5861.62  1116.23  5819.70  745.818  189.929   19.534  192.611   12.759 -2.681793 23.33118 
1 1 1   20    4   16 o  103.187   4.6380  1630.23  146.074  1542.63  210.898  1711.01  202.516   99.936   6.9575  105.379   6.3256 -5.442390 9.403189 
1 1 1   20    4   17 o  123.455   5.5757  2337.40  210.100  2325.05  218.796  2483.58  752.672  123.101   5.8232  122.017   20.966 1.084145 21.75939 
1 1 1   20    4   18 o   93.004   9.6214  1353.77  269.172  1380.69  296.406  1227.13  642.859   93.703   10.547   84.432   23.879 9.271309 26.10415 
1 1 1   20    4   19 o  116.700   5.9779  2096.55  212.215  2151.77  225.178  1657.94  634.617  118.181   6.2649   98.677   21.664 19.50388 22.55193 
1 1 1   20    4   20 o  110.474   14.938  1967.52  490.794  1866.50  761.191  2039.39  642.085  103.344   24.504  110.434   19.775 -7.090294 31.48818 
1 1 1   20    4   21 o  137.294   3.3817  2882.83  141.712  3069.26  186.360  2627.25  218.210  141.568   4.3129  130.841   5.4640 10.72758 6.961106 
1 1 1   20    4   22 o  116.596   3.9608  2081.08  140.956  2144.73  217.919  2035.29  184.826  117.968   6.0728  115.172   5.2578 2.796898 8.032616 
1 1 1   20    4   23 o   74.522   4.1351  853.088   93.685  996.937  171.759  792.166  111.777   80.107   7.0983   71.671   5.1439 8.435707 8.766153 
1 1 1   20    4   24 o   25.373   9.9425   60.931  112.068   30.455  145.121  105.956  176.393   26.391   10.956   32.129   12.506 -5.738455 16.62611 
1 1 1   20    4   25 o   46.609   4.8278  336.776   67.685  453.487  110.908  267.511   85.441   53.798   6.9144   41.076   7.0699 12.72151 9.889002 
1 1 1   20    4   26 o  116.445   3.7873  2076.25  134.607  1918.15  227.118  2161.84  167.122  111.331   6.7151  118.726   4.6118 -7.394424 8.146276 
1 1 1   20    5    0 o   60.890   24.259  806.235  436.067  806.235  436.067  806.235  436.067   60.890   24.259   60.890   24.259 0.000000 0.000000 
1 1 1   20    5    1 o   78.104   7.7217  946.409  181.668  1000.97  441.833  935.308  199.294   77.902   18.798   77.493   8.5693 0.4095230 20.65874 
1 1 1   20    5    2 o  158.140   4.6562  3826.26  224.743  3534.43  320.125  4109.89  315.593  151.758   6.9112  163.722   6.3155 -11.96400 9.362106 
1 1 1   20    5    3 o  128.114   13.739  2587.79  528.848  2024.35  839.972  2957.82  680.701  109.035   25.666  136.064   16.744 -27.02903 30.64468 
1 1 1   20    5    4 o  129.083   10.883  2596.21  424.788  2334.30  541.047  3017.08  685.868  121.238   14.937  137.439   16.692 -16.20135 22.39984 
1 1 1   20    5    5 o  149.247   5.4888  3411.70  250.035  3328.63  263.686  4152.31  787.300  147.382   5.8617  161.699   16.169 -14.31683 17.19857 
1 1 1   20    5    6 o  158.501   3.9587  3841.32  191.515  3797.64  197.187  4568.06  804.269  157.587   4.0996  169.824   15.694 -12.23779 16.22029 
1 1 1   20    5    7 o  209.374   3.8636  6702.47  246.904  6576.16  253.514  9030.36  1088.36  207.378   4.0052  239.534   14.961 -32.15576 15.48812 
1 1 1   20    5    8 o   51.220   6.9015  409.911  105.148  393.190  106.419  1097.01  682.180   50.100   7.1632   81.163   25.039 -31.06249 26.04356 
1 1 1   20    5    9 o  200.219   5.3891  6140.65  329.335  6232.79  346.322  5269.94  1064.62  201.682   5.6259  180.512   19.640 21.17070 20.42976 
1 1 1   20    5   10 o  170.773   3.4997  4457.83  182.418  4300.63  216.611  4841.24  338.283  167.673   4.2325  177.656   6.2386 -9.982803 7.538822 
1 1 1   20    5   11 o   72.845   4.7221  815.622  104.425  408.091  243.674  907.303  115.576   50.488   14.833   76.820   4.9556 -26.33230 15.63920 
1 1 1   20    5   12 o  248.037   5.9222  9434.63  448.354  7772.40  1121.17  9751.05  489.171  220.863   16.756  252.070   6.3580 -31.20644 17.92201 
1 1 1   20    5   13 o  109.392   5.9197  1840.65  196.917   0.0000   0.0000  1840.65  196.917  ?   ?   109.392   5.9197 0.000000 5.919732 
1 1 1   20    5   14 o  105.704   4.2651  1709.74  137.607  1245.93  194.807  2171.64  194.405   89.735   7.1725  119.038   5.3506 -29.30286 8.948422 
1 1 1   20    5   15 o  288.118   13.181 13005.67  1159.18 13005.67  1159.18   0.0000   0.0000  288.118   13.181  ?   ?  0.000000 13.18147 
1 1 1   20    5   16 o   21.417   9.0733   4.4886  102.669 -11.3040  106.027  242.061  411.232   20.972   9.0587   48.312   19.010 -27.34086 21.05809 
1 1 1   20    5   17 o  128.566   7.3095  2552.83  285.649  2283.20  348.224  3107.51  499.446  121.059   9.5005  140.647   11.742 -19.58820 15.10386 
1 1 1   20    5   18 o   63.433   20.650  649.825  458.527  649.333  700.623  650.193  606.438   67.394   25.238   65.689   23.668 1.705078 34.59938 
1 1 1   20    5   19 f   53.100   6.6817  440.421  105.895  440.717  107.673  431.684  585.176   53.096   6.8002   58.940   22.823 -5.843178 23.81488 
1 1 1   20    5   20 o   42.497   10.762  292.311  139.735  284.260  144.232  415.421  563.999   41.931   11.097   57.833   22.403 -15.90107 25.00082 
1 1 1   20    5   21 f   63.093   5.8494  616.701  111.364  620.443  113.618  525.206  561.810   63.269   5.9536   60.774   22.631 2.494759 23.40120 
1 1 1   20    5   22 o  165.405   5.1620  4197.93  260.606  4236.00  298.781  4076.86  532.832  166.017   5.8964  161.165   10.896 4.851547 12.38896 
1 1 1   20    5   23 o   39.322   14.609  198.135  233.825   74.538  621.915  218.482  252.340   51.254   22.039   40.982   15.186 10.27219 26.76425 
1 1 1   20    5   24 o  112.791   4.0917  1948.68  140.862  1784.73  223.177  2057.24  181.605  107.375   6.8454  115.766   5.1396 -8.391785 8.560082 
1 1 1   20    5   25 o  104.647   5.2316  1681.80  167.100  1611.75  708.690  1685.92  171.948   94.746   24.368  104.617   5.4034 -9.870857 24.96021 
1 1 1   20    6    0 o  271.433   13.721 11500.56  1130.12 11500.56  1130.12 11500.56  1130.12  271.433   13.721  271.433   13.721 0.000000 0.000000 
1 1 1   20    6    1 o   92.668   6.8782  1325.30  193.157  1236.68  215.008  1696.04  439.759   89.323   7.9700  103.209   14.348 -13.88560 16.41294 
1 1 1   20    6    2 o   69.027   6.1386  736.228  127.982  697.570  746.406  737.399  129.906   70.582   26.125   69.069   6.2291 1.512794 26.85700 
1 1 1   20    6    3 o  165.463   4.3432  4188.01  219.345  3565.92  978.463  4220.93  225.074  146.917   22.540  166.103   4.4394 -19.18637 22.97266 
1 1 1   20    6    4 f  122.896   3.4145  2308.31  128.078  2255.64  162.316  2395.23  208.492  121.428   4.3795  125.046   5.4626 -3.617683 7.001481 
1 1 1   20    6    5 o  110.999   3.8825  1883.90  131.538  1710.57  192.733  2035.02  179.967  105.460   6.0125  115.285   5.1145 -9.824425 7.893534 
1 1 1   20    6    6 o  108.925   3.4685  1813.49  115.316  1696.06  149.640  1985.19  180.947  105.275   4.6570  113.855   5.2069 -8.580666 6.985693 
1 1 1   20    6    7 o   87.954   4.2418  1183.34  113.873  948.121  164.874  1397.89  157.462   78.268   6.9747   95.370   5.4318 -17.10237 8.840310 
1 1 1   20    6    8 o  230.777   6.6212  8175.06  466.389  8175.06  466.389   0.0000   0.0000  230.777   6.6212  ?   ?  0.000000 6.621240 
1 1 1   20    6    9 o  102.786   4.9397  1617.68  154.973  1617.68  154.973   0.0000   0.0000  102.786   4.9397  ?   ?  0.000000 4.939734 
1 1 1   20    6   10 o  315.990   7.8961 15369.98  761.556 15369.98  761.556   0.0000   0.0000  315.990   7.8961  ?   ?  0.000000 7.896076 
1 1 1   20    6   11 o  181.689   4.4301  5051.94  245.676  4174.15  496.537  5336.48  282.705  163.936   9.9707  186.670   4.9618 -22.73340 11.13710 
1 1 1   20    6   12 o  131.471   5.4096  2649.16  217.076   0.0000   0.0000  2649.16  217.076  ?   ?   131.471   5.4096 0.000000 5.409585 
1 1 1   20    6   13 o  184.179   4.4092  5192.10  247.864  4845.85  368.657  5477.74  334.844  177.574   6.8018  188.975   5.8053 -11.40117 8.942383 
1 1 1   20    6   14 o   93.382   5.3305  1341.00  151.301  1097.28  262.324  1462.50  185.212   83.448   10.534   97.397   6.2635 -13.94925 12.25538 
1 1 1   20    6   15 o   64.756   4.5944  645.345   90.220  469.757  172.063  711.925  105.953   54.057   10.806   67.963   5.1459 -13.90612 11.96888 
1 1 1   20    6   16 o  100.842   4.3506  1556.87  133.908  1529.83  202.587  1577.84  178.450   99.526   6.7081  101.232   5.7996 -1.706306 8.867563 
1 1 1   20    6   17 o   91.602   6.0907  1294.41  169.321  1213.91  181.979  1813.42  462.073   88.579   6.7825  106.158   14.651 -17.57889 16.14494 
1 1 1   20    6   18 o  198.630   5.8012  6057.90  351.710  5848.98  397.666  6808.29  753.667  194.982   6.6820  208.241   11.907 -13.25819 13.65381 
1 1 1   20    6   19 o  126.535   5.7917  2458.93  223.683  2402.02  234.687  3023.38  739.163  125.012   6.1506  135.531   18.339 -10.51961 19.34323 
1 1 1   20    6   20 o  192.339   6.3344  5690.24  371.870  5636.83  399.539  6036.33  1016.98  191.310   6.8423  192.529   17.497 -1.219742 18.78740 
1 1 1   20    6   21 o  126.191   13.691  2549.02  518.854  2522.13  732.616  2576.09  734.932  122.255   20.349  123.681   20.163 -1.426613 28.64634 
1 1 1   20    6   22 o  178.912   3.5996  4898.48  196.568  4972.09  251.908  4783.89  314.316  180.098   4.5827  176.412   5.8374 3.685471 7.421325 
1 1 1   20    6   23 o   60.900   6.0506  576.081  110.980  487.496  441.781  582.047  114.657   56.715   20.225   61.187   6.2261 -4.471722 21.16194 
1 1 1   20    6   24 o  110.513   5.1587  1875.30  174.010   0.0000   0.0000  1875.30  174.010  ?   ?   110.513   5.1587 0.000000 5.158741 
1 1 1   20    7    0 o  396.968   9.8054 24292.58  1186.42 24292.58  1186.42 24292.58  1186.42  396.968   9.8054  396.968   9.8054 0.000000 0.000000 
1 1 1   20    7    1 o  149.039   6.0886  3406.39  276.969  3284.01  303.605  4013.47  676.203  146.249   6.8014  159.553   14.028 -13.30380 15.58968 
1 1 1   20    7    2 o   71.205   5.7371  782.088  123.628  1053.55  704.001  773.450  125.580   79.802   25.551   70.791   5.8648 9.011803 26.21556 
1 1 1   20    7    3 o   98.911   3.9435  1496.15  119.053  1544.10  311.868  1487.97  128.808   99.349   10.441   98.623   4.2791 0.7263031 11.28372 
1 1 1   20    7    4 o   54.271   6.7079  458.949  108.750  373.144  140.910  585.339  171.018   48.276   9.8953   60.863   9.5178 -12.58640 13.72973 
1 1 1   20    7    5 o   36.904   12.526  197.702  168.356  186.698  192.029  234.259  350.015   37.255   13.329   45.900   17.686 -8.645466 22.14617 
1 1 1   20    7    6 o   51.771   11.581  432.472  178.414  414.883  203.934  489.851  368.343   50.609   13.100   56.236   18.518 -5.626690 22.68325 
1 1 1   20    7    7 f  100.654   3.0396  1548.12   93.383  1393.61  114.786  1850.51  160.585   95.457   3.9397  109.941   4.7855 -14.48387 6.198575 
1 1 1   20    7    8 o   21.973   8.2208   55.795   74.301   13.806  151.138   69.177   85.324   26.242   11.057   23.913   8.8364 2.329241 14.15413 
1 1 1   20    7    9 o   81.780   11.310  1058.05  274.752  1058.05  274.752   0.0000   0.0000   81.780   11.310  ?   ?  0.000000 11.30989 
1 1 1   20    7   10 o  219.122   9.4989  7425.62  635.296  7446.68  740.200  7366.72  1237.94  218.628   11.129  213.213   19.229 5.415222 22.21779 
1 1 1   20    7   11 o  227.704   4.9441  7942.23  343.618  7587.87  473.506  8336.46  499.427  222.157   6.9831  232.847   7.0272 -10.68999 9.906867 
1 1 1   20    7   12 o   50.794   8.0019  407.067  119.953   0.0000   0.0000  407.067  119.953  ?   ?    50.794   8.0019 0.000000 8.001937 
1 1 1   20    7   13 o   51.438   11.167  427.235  170.302  427.235  170.302   0.0000   0.0000   51.438   11.167  ?   ?  0.000000 11.16738 
1 1 1   20    7   14 o  112.575   3.3579  1937.69  115.378  1835.59  157.171  2057.01  169.910  109.470   4.7039  115.875   4.8041 -6.405426 6.723559 
1 1 1   20    7   15 o  177.168   17.551  5085.05  936.606  5085.05  936.606   0.0000   0.0000  177.168   17.551  ?   ?  0.000000 17.55124 
1 1 1   20    7   16 o  145.045   3.5202  3217.74  155.843  2904.11  194.088  3786.90  261.459  137.685   4.6184  157.108   5.4524 -19.42294 7.145537 
1 1 1   20    7   17 o  171.561   5.7389  4519.23  300.516  4584.78  643.421  4500.94  339.863  170.481   12.451  171.065   6.5092 -0.5839844 14.05012 
1 1 1   20    7   18 o   81.084   3.8913  1006.28   96.304  781.686  167.471  1117.24  117.714   70.724   7.8928   85.274   4.5390 -14.55000 9.104879 
1 1 1   20    7   19 o  149.632   4.9469  3433.59  225.928  2795.78  560.131  3557.51  246.903  132.093   14.111  152.251   5.3131 -20.15826 15.07839 
1 1 1   20    7   20 o   51.272   6.9781  412.447  106.365  414.662  107.757  328.357  664.026   51.397   7.0550   58.069   23.700 -6.672153 24.72754 
1 1 1   20    7   21 o  131.203   6.1333  2648.34  245.614  2648.34  245.614   0.0000   0.0000  131.203   6.1333  ?   ?  0.000000 6.133293 
1 1 1   20    7   22 o  132.028   6.0777  2682.19  244.917  2659.41  262.453  2835.73  681.446  131.380   6.5449  131.004   17.478 0.3759308 18.66354 
1 1 1   20    7   23 o  196.960   11.452  6119.03  685.462  6954.51  1059.52  5517.62  898.933  206.115   16.993  184.065   16.164 22.05026 23.45318 
1 1 1   20    8    0 o   66.791   4.4835  691.215   90.457  691.215   90.457  691.215   90.457   66.791   4.4835   66.791   4.4835 0.000000 0.000000 
1 1 1   20    8    1 o  214.189   5.6262  7032.79  367.813  6826.41  445.418  7475.19  652.140  210.781   6.9234  219.852   9.7184 -9.070282 11.93233 
1 1 1   20    8    2 o   93.746   4.8550  1349.27  138.442  1180.34  715.170  1355.85  141.111   83.456   25.619   93.965   4.9375 -10.50903 26.09073 
1 1 1   20    8    3 f  185.753   8.9501  5326.09  507.432  5266.17  636.286  5430.78  841.050  183.724   11.403  185.129   15.014 -1.404282 18.85312 
1 1 1   20    8    4 o   87.702   6.0465  1185.54  160.867  1173.48  173.176  1261.46  434.454   87.177   6.5563   87.822   16.820 -0.6454849 18.05289 
1 1 1   20    8    5 o   91.737   3.1589  1286.21   88.451  1288.90   88.918  1033.04  863.691   91.832   3.1723   80.298   28.317 11.53439 28.49444 
1 1 1   20    8    6 o   32.768   6.9704  171.253   67.572  102.106  105.980  218.617   87.712   27.737   9.9046   36.973   8.0044 -9.236258 12.73461 
1 1 1   20    8    7 o   91.781   4.9547  1294.02  138.284  1285.15  147.740  1356.73  392.854   91.419   5.3177   91.837   14.496 -0.4175797 15.44071 
1 1 1   20    8    8 o  165.404   7.5487  4211.71  381.097  4176.46  504.997  4258.34  580.831  163.840   10.148  164.964   11.610 -1.123199 15.41994 
1 1 1   20    8    9 o  147.054   5.4703  3315.66  245.531  3233.03  460.861  3348.40  290.135  143.930   10.564  147.645   6.4382 -3.715134 12.37163 
1 1 1   20    8   10 o  176.193   4.1391  4750.69  222.591  4742.32  292.080  4762.27  343.786  175.863   5.4414  176.073   6.3970 -0.2107697 8.398258 
1 1 1   20    8   11 o   31.194   8.0069  155.738   76.620  190.576  125.475  135.023   96.754   34.969   10.730   29.782   9.4657 5.186993 14.30875 
1 1 1   20    8   12 o   59.230   6.0706  544.263  108.197  542.528  109.459  618.230  714.680   59.121   6.1562   66.939   25.397 -7.818005 26.13239 
1 1 1   20    8   13 o  152.966   5.4940  3589.61  256.506   0.0000   0.0000  3589.61  256.506  ?   ?   152.966   5.4940 0.000000 5.493972 
1 1 1   20    8   14 o   82.358   25.591  1175.44  711.116   0.0000   0.0000  1175.44  711.116  ?   ?    82.358   25.591 0.000000 25.59056 
1 1 1   20    8   15 o   86.083   5.3384  1141.16  139.571  1199.35  448.173  1134.91  146.875   84.772   17.884   85.801   5.6398 -1.029678 18.75185 
1 1 1   20    8   16 o  114.128   4.4724  1995.38  155.792  2044.14  210.321  1936.10  231.903  115.184   6.0031  111.935   6.8202 3.249229 9.085882 
1 1 1   20    8   17 o   87.709   18.194  1289.81  471.098  1289.81  471.098   0.0000   0.0000   87.709   18.194  ?   ?  0.000000 18.19393 
1 1 1   20    8   18 o  103.911   3.5199  1652.00  111.637  1715.99  144.159  1556.13  176.449  105.823   4.4632  100.473   5.7781 5.350182 7.301130 
1 1 1   20    8   19 o  142.074   4.1394  3091.64  179.501  3041.95  256.208  3139.54  251.561  140.653   5.9680  142.927   5.7665 -2.273972 8.298738 
1 1 1   20    8   20 o   85.925   6.6805  1144.45  173.827  1144.45  173.827   0.0000   0.0000   85.925   6.6805  ?   ?  0.000000 6.680481 
1 1 1   20    8   21 o   61.822   24.241  499.565  666.552  499.565  666.552   0.0000   0.0000   61.822   24.241  ?   ?  0.000000 24.24142 
1 1 1   20    8   22 o  134.459   4.2399  2770.78  174.005  3020.93  261.210  2571.23  233.307  140.079   6.1094  129.269   5.9131 10.81026 8.502361 
1 1 1   20    9    0 o   59.837   5.1759  560.010   92.903  560.010   92.903  560.010   92.903   59.837   5.1759   59.837   5.1759 0.000000 0.000000 
1 1 1   20    9    1 o  224.792   5.5607  7748.55  381.530  8020.00  465.295  7191.51  666.543  228.456   6.6728  215.371   10.140 13.08456 12.13834 
1 1 1   20    9    2 o  263.256   5.2849 10622.45  424.652 10236.60  662.052 10892.15  553.514  257.575   8.4211  266.197   6.8125 -8.621338 10.83173 
1 1 1   20    9    3 o  137.800   5.3482  2910.88  224.945  3412.00  532.148  2801.86  248.211  147.443   11.927  135.115   6.0187 12.32823 13.35947 
1 1 1   20    9    4 o  182.349   4.4049  5090.06  245.167  5054.33  755.512  5094.27  259.193  178.766   13.957  182.392   4.6559 -3.625839 14.71319 
1 1 1   20    9    5 o  108.946   8.9727  1846.55  295.715  1890.25  313.659  1497.09  887.023  110.130   9.4219   92.267   28.566 17.86202 30.08008 
1 1 1   20    9    6 o  302.072   9.6363 14134.45  888.458 13886.08  1235.14 14400.73  1278.94  297.224   13.615  302.528   13.851 -5.304138 19.42177 
1 1 1   20    9    7 o   55.548   5.7987  478.559   96.865  709.228  194.983  402.977  111.612   66.965   9.8324   50.632   7.4445 16.33350 12.33273 
1 1 1   20    9    8 o  251.663   4.0895  9692.52  314.124  9308.94  381.624 10498.46  553.174  246.448   5.0733  261.234   6.9377 -14.78662 8.594769 
1 1 1   20    9    9 o  148.703   3.9732  3383.73  180.334  3383.73  180.334   0.0000   0.0000  148.703   3.9732  ?   ?  0.000000 3.973196 
1 1 1   20    9   10 o  121.461   24.207  2545.61  865.916   0.0000   0.0000  2545.61  865.916  ?   ?   121.461   24.207 0.000000 24.20702 
1 1 1   20    9   11 o  256.184   5.7148 10074.27  446.862  8816.38  841.695 10567.98  527.314  237.515   11.610  262.136   6.5906 -24.62057 13.35055 
1 1 1   20    9   12 o  131.031   5.6995  2635.80  227.944  2636.49  236.824  2627.10  840.276  131.018   5.9222  123.807   23.085 7.210762 23.83295 
1 1 1   20    9   13 o   55.369   21.381  378.303  512.414  534.117  748.134  240.617  703.272   65.196   25.645   57.601   24.033 7.594681 35.14569 
1 1 1   20    9   14 o   18.836   7.9611   4.6451   78.740   82.287  169.411 -16.7492   88.929   30.607   12.151   18.829   8.2135 11.77757 14.66657 
1 1 1   20    9   15 o  141.037   5.9398  3057.01  255.694  3011.58  277.190  3316.34  662.218  139.890   6.4919  143.372   15.373 -3.482086 16.68719 
1 1 1   20    9   16 o   45.189   19.040   92.767  448.195   92.767  448.195   0.0000   0.0000   45.189   19.040  ?   ?  0.000000 19.04037 
1 1 1   20    9   17 o   81.486   7.2454  1032.42  178.324  1032.42  178.324   0.0000   0.0000   81.486   7.2454  ?   ?  0.000000 7.245416 
1 1 1   20    9   18 o  260.449   7.4529 10478.21  592.471 10478.21  592.471   0.0000   0.0000  260.449   7.4529  ?   ?  0.000000 7.452914 
1 1 1   20    9   19 o   92.054   18.919  1438.92  513.792   0.0000   0.0000  1438.92  513.792  ?   ?    92.054   18.919 0.000000 18.91876 
1 1 1   20    9   20 o   51.119   10.919  424.589  165.195  424.589  165.195   0.0000   0.0000   51.119   10.919  ?   ?  0.000000 10.91934 
1 1 1   20   10    0 o  107.453   10.319  1830.16  331.265  1830.16  331.265  1830.16  331.265  107.453   10.319  107.453   10.319 0.000000 0.000000 
1 1 1   20   10    1 o  200.705   5.8152  6182.96  356.240  6235.31  1010.07  6175.53  380.704  196.732   16.988  200.501   6.2209 -3.769119 18.09113 
1 1 1   20   10    2 o  215.235   3.8552  7087.86  253.263  6299.51  434.903  7492.40  311.539  202.314   7.0429  221.171   4.6149 -18.85658 8.420185 
1 1 1   20   10    3 o  165.614   4.9905  4203.75  252.266  4012.74  289.849  4800.37  512.263  161.675   5.8737  175.723   9.5872 -14.04774 11.24343 
1 1 1   20   10    4 o  166.200   4.6874  4231.54  237.785  4047.55  437.050  4308.91  283.400  161.515   8.8998  167.586   5.5405 -6.070923 10.48347 
1 1 1   20   10    5 o  174.367   6.3617  4672.86  338.574  4509.46  473.095  4844.41  484.749  170.425   9.1281  176.692   9.0184 -6.267380 12.83174 
1 1 1   20   10    6 o  111.399   3.2398  1897.39  110.157  1693.88  178.830  2021.82  139.836  104.914   5.6048  114.939   3.9860 -10.02457 6.877668 
1 1 1   20   10    7 o  199.720   5.0068  6114.86  305.211  5596.21  528.191  6374.85  373.965  190.081   9.1041  203.719   6.0143 -13.63876 10.91125 
1 1 1   20   10    8 o  155.218   4.8320  3692.51  228.923  3671.54  452.629  3699.71  265.364  153.497   9.7112  155.256   5.5999 -1.759155 11.21004 
1 1 1   20   10    9 o  128.242   9.2800  2562.78  360.786  2562.78  360.786   0.0000   0.0000  128.242   9.2800  ?   ?  0.000000 9.279967 
1 1 1   20   10   10 o  139.804   22.185  3317.86  915.053   0.0000   0.0000  3317.86  915.053  ?   ?   139.804   22.185 0.000000 22.18507 
1 1 1   20   10   11 o  153.462   10.784  3692.15  501.893  4254.52  790.485  3312.33  649.632  162.204   16.183  143.512   15.055 18.69180 22.10272 
1 1 1   20   10   12 o   73.216   3.4914  820.066   78.023  804.271  121.711  831.085  101.659   72.162   5.5690   73.504   4.5536 -1.342712 7.193740 
1 1 1   20   10   13 o   86.016   5.5730  1140.96  145.528  1095.07  205.264  1187.34  206.355   83.767   8.1307   87.324   7.8252 -3.556900 11.28462 
1 1 1   20   10   14 o  179.693   8.7570  5007.02  480.290  4872.54  711.574  5119.56  650.935  174.949   13.428  180.139   11.906 -5.190277 17.94634 
1 1 1   20   10   15 o  100.065   6.6652  1549.36  202.405  1463.40  221.270  1989.98  500.950   97.051   7.5286  110.578   15.248 -13.52653 17.00552 
1 1 1   20   10   16 o  130.501   5.9808  2619.64  238.224  2552.05  259.918  2974.61  595.622  128.520   6.6487  135.770   14.603 -7.249542 16.04507 
1 1 1   20   10   17 o   82.490   5.2736  1049.22  132.083  899.407  507.861  1060.08  136.790   72.140   21.471   82.891   5.4368 -10.75135 22.14898 
1 1 1   20   10   18 o   73.661   7.9272  849.509  175.421  849.509  175.421   0.0000   0.0000   73.661   7.9272  ?   ?  0.000000 7.927226 
1 1 1   20   10   19 o  189.990   6.0070  5556.81  348.344  5079.92  1029.74  5618.44  370.167  173.606   19.787  190.943   6.3515 -17.33675 20.78125 
1 1 1   20   11    0 o  185.306   6.5575  5287.21  369.836  5287.21  369.836  5287.21  369.836  185.306   6.5575  185.306   6.5575 0.000000 0.000000 
1 1 1   20   11    1 o   55.872   12.046  507.147  199.384  579.903  405.849  484.001  228.913   59.930   19.422   54.325   13.783 5.605228 23.81632 
1 1 1   20   11    2 o  173.689   4.9073  4624.91  260.152  4548.00  590.858  4643.40  289.750  170.183   11.441  173.943   5.4576 -3.759674 12.67642 
1 1 1   20   11    3 o   91.442   7.3580  1297.24  203.623  1314.74  283.849  1278.68  292.268   91.341   10.365   89.924   10.869 1.416245 15.01888 
1 1 1   20   11    4 f   39.203   8.9451  247.407  104.669  262.670  118.769  194.330  221.485   40.332   9.7547   38.706   14.248 1.625298 17.26761 
1 1 1   20   11    5 o   65.649   4.1959  662.626   83.637  618.565  176.642  675.359   94.955   62.433   9.5752   66.214   4.7295 -3.780998 10.67956 
1 1 1   20   11    6 o   67.919   7.3876  719.604  150.679  672.919  190.007  798.713  247.339   65.094   9.8732   70.480   11.923 -5.386162 15.48017 
1 1 1   20   11    7 o   33.598   5.9262  178.514   58.551  226.890   89.804  142.746   77.220   37.616   8.0640   29.915   8.2089 7.700840 11.50711 
1 1 1   20   11    8 o   52.096   15.370  442.480  261.149  327.318  527.201  479.926  300.622   54.211   21.463   54.302   16.600 -0.9107590E-01 27.13330 
1 1 1   20   11    9 o   97.075   7.1676  1460.89  210.871  1669.58  618.930  1433.49  224.290   98.605   21.195   96.036   7.7168 2.568832 22.55656 
1 1 1   20   11   10 o  150.620   4.4897  3476.75  206.403  3301.49  279.237  3687.84  306.454  146.489   6.2453  154.773   6.4871 -8.284805 9.004784 
1 1 1   20   11   11 o   64.934   7.7930  660.721  151.367  647.858  166.632  721.436  362.011   64.073   8.7492   65.468   17.695 -1.394661 19.73976 
1 1 1   20   11   12 o  102.071   24.824  1862.65  765.945  1862.65  765.945   0.0000   0.0000  102.071   24.824  ?   ?  0.000000 24.82436 
1 1 1   20   11   13 o   56.080   10.735  507.566  177.055  507.566  177.055   0.0000   0.0000   56.080   10.735  ?   ?  0.000000 10.73490 
1 1 1   20   11   14 o  109.162   6.1365  1839.80  203.631  1792.24  223.857  2067.85  490.224  107.584   6.8529  112.917   14.563 -5.333076 16.09505 
1 1 1   20   11   15 o  131.579   5.7702  2662.71  231.739  2542.91  251.525  3335.54  596.085  128.469   6.4146  144.146   13.714 -15.67715 15.13976 
1 1 1   20   11   16 f  103.696   4.0548  1647.47  128.335  1426.86  200.947  1799.44  166.778   95.907   6.9109  108.257   5.0474 -12.35018 8.557859 
1 1 1   20   12    0 o   64.765   11.975  711.874  212.905  711.874  212.905  711.874  212.905   64.765   11.975   64.765   11.975 0.000000 0.000000 
1 1 1   20   12    1 f  126.059   5.4163  2439.95  208.399  2627.64  487.401  2397.96  230.535  128.564   12.582  124.876   6.0484 3.687309 13.96037 
1 1 1   20   12    2 o  161.708   4.3395  4006.38  214.184  3885.18  305.774  4123.15  300.110  158.898   6.3047  163.754   6.0044 -4.856613 8.706450 
1 1 1   20   12    3 o  169.752   3.8439  4411.24  199.163  4448.86  302.422  4382.44  264.659  170.134   5.8238  168.993   5.1310 1.141312 7.761661 
1 1 1   20   12    4 o   45.404   9.1936  331.297  123.038  331.612  153.927  330.740  204.759   45.149   11.219   45.372   13.663 -0.2229309 17.67905 
1 1 1   20   12    5 o  101.217   4.7445  1570.97  146.573  1568.05  169.838  1579.51  290.147  100.887   5.5367  100.325   9.5922 0.5613403 11.07538 
1 1 1   20   12    6 o   30.343   7.3899  147.781   67.805  350.918  500.262  143.979   68.437   53.908   21.039   29.955   7.5017 23.95339 22.33634 
1 1 1   20   12    7 o   84.527   12.278  1146.97  307.501  986.999  572.851  1211.73  364.460   75.378   22.888   86.191   14.359 -10.81355 27.01904 
1 1 1   20   12    8 o  105.364   6.0652  1713.51  194.231  1713.51  194.231   0.0000   0.0000  105.364   6.0652  ?   ?  0.000000 6.065200 
1 1 1   20   12    9 o   31.049   11.736  112.938  152.259  112.938  152.259   0.0000   0.0000   31.049   11.736  ?   ?  0.000000 11.73625 
1 1 1   20   12   10 o   98.325   21.870  1686.74  639.376  1686.74  639.376   0.0000   0.0000   98.325   21.870  ?   ?  0.000000 21.86973 
1 1 1   20   12   11 o  148.545   5.5044  3391.18  249.565  3327.55  271.202  3742.89  637.610  147.040   6.0428  152.709   13.830 -5.669556 15.09218 
1 1 1   20   12   12 o   52.275   5.2754  423.969   83.021  320.273  166.557  458.250   95.766   44.314   12.013   54.266   5.8757 -9.951805 13.37290 
1 1 1   20   12   13 o   88.183   7.4517  1210.87  198.689  1210.87  198.689   0.0000   0.0000   88.183   7.4517  ?   ?  0.000000 7.451723 
1 1 1   20   12   14 o   52.249   21.579  234.821  558.829  234.821  558.829   0.0000   0.0000   52.249   21.579  ?   ?  0.000000 21.57929 
1 1 1   20   13    0 o  108.079   6.2713  1810.65  205.285  1810.65  205.285  1810.65  205.285  108.079   6.2713  108.079   6.2713 0.000000 0.000000 
1 1 1   20   13    1 o  137.435   5.2793  2901.06  221.457  2803.22  275.587  3079.40  372.077  134.837   6.6963  140.572   8.7149 -5.734818 10.99045 
1 1 1   20   13    2 o   70.901   8.1394  788.581  172.950  780.837  256.728  795.015  234.021   69.305   12.601   70.351   11.280 -1.045341 16.91172 
1 1 1   20   13    3 o  114.551   4.6574  2012.62  162.841  1979.76  287.845  2028.08  197.481  112.674   8.4309  114.858   5.6331 -2.183434 10.13965 
1 1 1   20   13    4 o   91.586   4.2231  1285.42  118.052  1187.08  163.157  1393.48  171.023   87.602   6.1408   94.987   5.9285 -7.384972 8.535618 
1 1 1   20   13    5 o   91.850   4.4707  1293.54  125.336  1161.83  560.319  1300.47  128.594   81.277   22.034   92.086   4.5752 -10.80868 22.50372 
1 1 1   20   13    6 o   62.869   6.4235  615.226  121.530  628.645  137.403  567.006  260.467   63.395   7.2304   58.386   14.642 5.008884 16.33010 
1 1 1   20   13    7 o   67.816   7.7973  721.001  158.459  542.707  529.519  738.538  166.070   60.001   22.040   68.578   8.0896 -8.577541 23.47727 
1 1 1   20   13    8 o   94.411   7.5389  1387.41  215.432  1260.86  577.839  1407.84  232.172   84.458   22.144   94.970   8.0865 -10.51155 23.57431 
1 1 1   20   13    9 o   95.805   4.6021  1408.03  134.573  1402.37  136.025  1669.07  923.708   95.605   4.6614   93.640   29.177 1.965393 29.54749 
1 1 1   20   13   10 o   84.448   4.7132  1097.71  121.000  1245.56  453.005  1086.36  125.562   85.649   17.905   83.976   4.9202 1.672234 18.56877 
1 1 1   21    0    1 o  437.001   29.858 32261.61  3939.89 32261.61  3939.89 32261.61  3939.89  437.001   29.858  437.001   29.858 0.000000 0.000000 
1 1 1   21    0    2 o  189.594   6.8490  5534.55  395.166  5534.55  395.166  5534.55  395.166  189.594   6.8490  189.594   6.8490 0.000000 0.000000 
1 1 1   21    0    4 o  334.806   16.145 17704.69  1641.15 17704.69  1641.15 17704.69  1641.15  334.806   16.145  334.806   16.145 0.000000 0.000000 
1 1 1   21    0    5 o  284.064   6.0895 12381.55  527.430 12381.55  527.430 12381.55  527.430  284.064   6.0895  284.064   6.0895 0.000000 0.000000 
1 1 1   21    0    6 o  175.383   12.896  4854.53  681.747  4854.53  681.747  4854.53  681.747  175.383   12.896  175.383   12.896 0.000000 0.000000 
1 1 1   21    0    7 o  215.537   7.0989  7152.94  465.865  7152.94  465.865  7152.94  465.865  215.537   7.0989  215.537   7.0989 0.000000 0.000000 
1 1 1   21    0    8 o  226.241   12.984  8037.19  889.852  8037.19  889.852  8037.19  889.852  226.241   12.984  226.241   12.984 0.000000 0.000000 
1 1 1   21    0    9 o  140.648   5.9530  3047.55  254.515  3047.55  254.515  3047.55  254.515  140.648   5.9530  140.648   5.9530 0.000000 0.000000 
1 1 1   21    0   10 o   56.017   11.050  536.669  168.006  536.669  168.006  536.669  168.006   56.017   11.050   56.017   11.050 0.000000 0.000000 
1 1 1   21    0   11 o  248.048   7.7056  9484.94  582.113  9484.94  582.113  9484.94  582.113  248.048   7.7056  248.048   7.7056 0.000000 0.000000 
1 1 1   21    0   12 o   90.277   7.4205  1277.13  201.291  1277.13  201.291  1277.13  201.291   90.277   7.4205   90.277   7.4205 0.000000 0.000000 
1 1 1   21    0   13 o  412.773   11.803 26530.23  1484.27 26530.23  1484.27 26530.23  1484.27  412.773   11.803  412.773   11.803 0.000000 0.000000 
1 1 1   21    0   14 o  101.553   29.518  2060.91  794.183  2060.91  794.183  2060.91  794.183  101.553   29.518  101.553   29.518 0.000000 0.000000 
1 1 1   21    0   15 o  304.069   8.3525 14275.59  773.864 14275.59  773.864 14275.59  773.864  304.069   8.3525  304.069   8.3525 0.000000 0.000000 
1 1 1   21    0   16 o  143.513   15.086  3341.32  644.097  3341.32  644.097  3341.32  644.097  143.513   15.086  143.513   15.086 0.000000 0.000000 
1 1 1   21    0   17 o  115.476   5.0649  2054.21  177.736  2054.21  177.736  2054.21  177.736  115.476   5.0649  115.476   5.0649 0.000000 0.000000 
1 1 1   21    0   18 o  204.888   4.7034  6437.65  293.781  6437.65  293.781  6437.65  293.781  204.888   4.7034  204.888   4.7034 0.000000 0.000000 
1 1 1   21    0   19 o   30.632   20.265 -63.0177  494.637 -63.0177  494.637 -63.0177  494.637   30.632   20.265   30.632   20.265 0.000000 0.000000 
1 1 1   21    1    0 o   85.601   28.618  1515.88  666.801  1515.88  666.801  1515.88  666.801   85.601   28.618   85.601   28.618 0.000000 0.000000 
1 1 1   21    1    1 o  168.290   5.8135  4344.80  298.618  4175.86  336.009  4979.68  651.365  164.848   6.6780  178.266   12.042 -13.41829 13.76958 
1 1 1   21    1    2 o  233.773   5.1934  8375.17  370.566 10054.13  1309.09  8228.92  386.369  250.447   17.230  231.671   5.4640 18.77521 18.07569 
1 1 1   21    1    3 o  218.408   6.3388  7325.61  422.566  7216.10  451.701  8093.31  1195.96  216.660   6.8305  224.323   17.609 -7.662506 18.88725 
1 1 1   21    1    4 o  144.056   3.6555  3173.68  160.728  3032.41  198.964  3439.04  272.685  140.723   4.6322  149.695   5.9681 -8.971909 7.554856 
1 1 1   21    1    5 o  330.576   7.7522 16837.23  782.197 17133.12  1583.89 16741.80  899.542  328.594   15.792  329.116   8.9548 -0.5225525 18.15460 
1 1 1   21    1    6 o  185.342   4.3337  5258.33  245.158  5050.60  358.651  5440.52  335.880  181.305   6.4810  188.292   5.8443 -6.987091 8.726978 
1 1 1   21    1    7 f   97.533   15.659  1542.88  450.379  954.740  631.196  2152.90  642.827   75.534   24.195  114.123   19.132 -38.58910 30.84495 
1 1 1   21    1    8 o  251.022   13.152  9918.11  1004.20 10046.34  1420.32  9789.94  1419.99  248.726   18.849  245.309   19.116 3.417297 26.84592 
1 1 1   21    1    9 o  276.627   4.7132 11722.29  397.950 11225.35  503.400 12550.29  649.789  270.357   6.1004  285.423   7.4588 -15.06656 9.635769 
1 1 1   21    1   10 o  216.575   17.880  7597.52  1171.38   0.0000   0.0000  7597.52  1171.38  ?   ?   216.575   17.880 0.000000 17.88025 
1 1 1   21    1   11 f  315.378   6.5749 15295.83  632.906 15217.83  900.981 15371.82  889.264  313.318   9.4213  314.988   9.2495 -1.669586 13.20286 
1 1 1   21    1   12 o   88.578   13.923  1266.06  364.015  1197.00  462.728  1378.20  589.620   84.527   18.453   89.601   21.773 -5.074127 28.54114 
1 1 1   21    1   13 o  266.944   5.1680 10929.16  421.075 11057.93  577.648 10783.14  615.094  267.935   7.0634  264.385   7.6223 3.550720 10.39193 
1 1 1   21    1   14 o   62.019   4.5127  592.367   84.837  644.247  100.011  459.237  160.209   64.612   5.1130   53.483   10.186 11.12908 11.39744 
1 1 1   21    1   15 o  181.439   5.9527  5059.14  329.657  4976.67  348.341  5766.59  1020.28  179.870   6.3450  187.765   18.024 -7.895065 19.10841 
1 1 1   21    1   16 o  151.555   5.4316  3526.32  251.257  3526.32  251.257   0.0000   0.0000  151.555   5.4316  ?   ?  0.000000 5.431640 
1 1 1   21    1   17 o  151.869   11.821  3642.54  543.630  3267.91  742.262  4076.02  798.425  140.940   17.641  158.093   16.804 -17.15320 24.36363 
1 1 1   21    1   18 o  106.244   4.3201  1729.59  140.092  1747.89  146.727  1540.86  471.216  106.787   4.5017   96.526   16.592 10.26104 17.19204 
1 1 1   21    1   19 o  186.018   4.2138  5301.64  239.250  5518.41  343.478  5097.35  333.446  189.415   5.9411  182.031   6.0015 7.384094 8.444821 
1 1 1   21    2    0 o   77.399   27.731  1272.31  598.749  1272.31  598.749  1272.31  598.749   77.399   27.731   77.399   27.731 0.000000 0.000000 
1 1 1   21    2    1 o  172.115   5.5726  4542.95  292.746  4404.88  632.211  4580.64  330.290  167.432   12.460  172.716   6.2653 -5.284241 13.94677 
1 1 1   21    2    2 o  146.791   4.2334  3297.72  189.673  3284.40  195.703  3503.94  770.036  146.480   4.3772  147.136   17.489 -0.6561127 18.02847 
1 1 1   21    2    3 o   92.192   5.5494  1308.09  155.426  1303.37  165.111  1344.79  460.590   91.973   5.9130   90.412   17.321 1.560532 18.30263 
1 1 1   21    2    4 o  256.429   13.326 10345.53  1039.42 10449.06  1444.76 10234.44  1496.53  254.025   18.767  250.647   19.721 3.377777 27.22318 
1 1 1   21    2    5 o  166.140   5.6614  4234.29  287.086  3443.36  773.254  4360.75  309.184  145.632   17.764  168.547   6.0101 -22.91579 18.75332 
1 1 1   21    2    6 o  184.553   5.6860  5225.47  320.292  5189.69  361.551  5355.94  690.419  183.782   6.4454  184.675   12.319 -0.8922272 13.90357 
1 1 1   21    2    7 o  271.593   5.5886 11315.49  463.278 11128.96  680.515 11476.61  632.469  268.509   8.3035  272.924   7.5924 -4.415253 11.25134 
1 1 1   21    2    8 o  126.439   7.0003  2467.32  269.102  2264.21  286.370  4000.66  786.842  120.941   7.7994  157.524   16.616 -36.58336 18.35543 
1 1 1   21    2    9 o  108.046   6.0967  1798.60  200.236  1903.43  852.552  1792.47  205.998  103.559   26.775  107.829   6.2863 -4.270584 27.50289 
1 1 1   21    2   10 o  106.456   3.5508  1733.37  115.374  1669.76  142.608  1853.88  196.290  104.416   4.4746  109.728   5.8823 -5.311592 7.390817 
1 1 1   21    2   11 o   41.243   10.668  274.734  135.302  309.256  290.678  265.185  152.872   46.443   16.422   40.698   11.690 5.745136 20.15799 
1 1 1   21    2   12 o   93.863   11.601  1397.04  325.287  1328.03  374.489  1609.13  656.497   90.728   13.972   96.507   22.672 -5.779678 26.63153 
1 1 1   21    2   13 o  133.003   5.1716  2713.32  209.944  2337.15  446.947  2819.82  237.814  121.488   12.219  135.508   5.7498 -14.01931 13.50426 
1 1 1   21    2   14 o  161.333   4.1578  3985.54  204.738  3938.63  216.515  4381.86  629.347  160.345   4.4240  166.525   12.473 -6.180450 13.23402 
1 1 1   21    2   15 o  188.086   4.9966  5425.77  286.843  4729.08  518.880  5732.38  344.223  174.110   9.8039  193.153   5.8388 -19.04300 11.41086 
1 1 1   21    2   16 o   35.129   10.535  194.880  121.926  185.854  124.894  378.088  562.673   34.532   10.724   56.528   22.239 -21.99631 24.68908 
1 1 1   21    2   17 o  152.938   4.3638  3583.99  203.703  3585.38  211.133  3565.36  774.703  152.945   4.5227  147.272   17.582 5.672806 18.15440 
1 1 1   21    2   18 o   57.004   6.5205  506.826  111.408  327.616  142.624  787.323  178.434   44.916   10.578   70.806   8.4216 -25.88972 13.52106 
1 1 1   21    2   19 o  128.101   4.3649  2515.04  170.665  2447.95  227.657  2601.12  257.871  126.156   5.9123  129.773   6.5312 -3.616791 8.809740 
1 1 1   21    3    0 o  322.270   15.402 16371.21  1507.09 16371.21  1507.09 16371.21  1507.09  322.270   15.402  322.270   15.402 0.000000 0.000000 
1 1 1   21    3    1 o  171.246   5.6388  4498.29  294.732  4411.56  330.915  4831.11  648.225  169.463   6.3977  175.444   12.181 -5.981522 13.75855 
1 1 1   21    3    2 o  169.458   5.6788  4405.23  293.720  4341.26  311.535  4917.12  881.211  168.161   6.0697  174.904   16.710 -6.743973 17.77831 
1 1 1   21    3    3 o  201.031   4.7593  6190.27  292.026  6031.35  409.747  6354.32  416.305  198.060   6.7780  203.309   6.7087 -5.249084 9.536671 
1 1 1   21    3    4 o  119.397   5.6631  2187.02  206.379  2049.61  613.396  2204.56  219.156  111.482   18.688  119.838   5.9916 -8.355286 19.62516 
1 1 1   21    3    5 o  216.176   12.334  7333.37  810.448  6934.91  1095.05  7815.96  1205.13  207.373   17.463  219.779   18.127 -12.40622 25.17042 
1 1 1   21    3    6 o   94.017   13.430  1414.88  374.443  1300.26  436.771  1732.74  727.324   88.976   16.696   99.991   24.112 -11.01563 29.32817 
1 1 1   21    3    7 o  183.292   6.5100  5164.14  364.199   0.0000   0.0000  5164.14  364.199  ?   ?   183.292   6.5100 0.000000 6.509956 
1 1 1   21    3    8 o  134.390   5.6057  2771.28  229.940  2291.78  855.011  2808.66  238.736  114.636   25.129  135.270   5.7823 -20.63464 25.78597 
1 1 1   21    3    9 o  191.759   4.5785  5632.54  267.974  5648.30  277.008  5402.63  1057.89  192.004   4.7268  181.395   19.408 10.60904 19.97566 
1 1 1   21    3   10 o   42.136   5.5686  277.131   69.864  300.299   78.265  186.269  154.994   43.816   6.0105   35.593   12.019 8.223682 13.43801 
1 1 1   21    3   11 o   98.599   4.7340  1489.77  142.467  1468.11  148.512  1739.67  504.497   97.731   4.9953  103.086   16.597 -5.354607 17.33292 
1 1 1   21    3   12 o   87.015   11.683  1204.52  302.443  1164.50  338.924  1361.01  670.129   84.961   13.523   88.140   24.181 -3.179314 27.70513 
1 1 1   21    3   13 f   57.190   9.0292  518.748  152.381  511.441  157.369  628.558  610.049   56.688   9.4262   64.755   23.676 -8.067364 25.48322 
1 1 1   21    3   14 o  138.445   3.4290  2931.94  144.899  2808.04  176.719  3186.13  253.120  135.401   4.2761  144.018   5.7583 -8.616501 7.172354 
1 1 1   21    3   15 o  199.900   5.9196  6141.88  361.181  5896.65  407.730  7035.69  778.405  195.640   6.8281  211.258   12.123 -15.61870 13.91333 
1 1 1   21    3   16 o  137.031   5.6848  2885.07  237.767  2854.67  772.732  2888.25  249.890  130.247   20.083  137.059   5.9735 -6.812088 20.95291 
1 1 1   21    3   17 o  151.028   4.3845  3495.43  202.114  3507.31  209.909  3344.36  748.620  151.261   4.5466  142.508   17.584 8.753647 18.16222 
1 1 1   21    3   18 o   76.781   16.433  985.062  373.474  842.052  505.823  1156.47  553.771   70.132   21.549   81.374   21.840 -11.24160 30.68080 
1 1 1   21    3   19 o   41.383   9.0819  276.306  111.565  274.470  115.783  300.151  417.153   41.198   9.4135   49.733   19.267 -8.534508 21.44349 
1 1 1   21    4    0 o   70.570   7.0835  786.910  149.050  786.910  149.050  786.910  149.050   70.570   7.0835   70.570   7.0835 0.000000 0.000000 
1 1 1   21    4    1 o  176.671   4.4721  4779.29  241.155  4707.80  340.018  4851.65  342.079  175.047   6.3640  177.712   6.3066 -2.664978 8.959536 
1 1 1   21    4    2 o  176.888   3.6780  4785.94  198.574  4643.25  249.114  5034.61  328.866  174.109   4.6877  181.096   5.9497 -6.986725 7.574513 
1 1 1   21    4    3 o  132.259   5.4230  2682.76  218.917  2598.92  237.890  3146.34  559.396  130.106   5.9905  140.992   13.151 -10.88564 14.45089 
1 1 1   21    4    4 o  138.430   4.2405  2933.39  179.168  2906.26  184.458  3386.27  753.542  137.774   4.3865  144.397   17.452 -6.623215 17.99441 
1 1 1   21    4    5 o   86.190   26.976  1294.94  788.573  1294.94  788.573   0.0000   0.0000   86.190   26.976  ?   ?  0.000000 26.97567 
1 1 1   21    4    6 o  315.876   9.4044 15460.75  906.702 15460.75  906.702   0.0000   0.0000  315.876   9.4044  ?   ?  0.000000 9.404400 
1 1 1   21    4    7 o  141.104   4.3367  3048.59  186.773  3048.59  186.773   0.0000   0.0000  141.104   4.3367  ?   ?  0.000000 4.336688 
1 1 1   21    4    8 o   61.541   4.6182  583.426   86.114  388.333  103.571  1020.32  154.992   49.749   7.0156   81.240   6.2999 -31.49047 9.429087 
1 1 1   21    4    9 o   42.182   6.9916  281.056   86.863  287.449   87.623 -82.5925  660.857   42.673   6.9678   50.067   22.097 -7.393536 23.16918 
1 1 1   21    4   10 o   30.019   11.061  112.781  133.508  107.518  316.113  113.924  147.288   39.808   16.311   30.895   11.571 8.912615 19.99888 
1 1 1   21    4   11 o  134.494   8.5028  2809.04  347.247  2599.29  450.970  3114.52  544.237  128.384   11.635  140.140   12.867 -11.75595 17.34763 
1 1 1   21    4   12 o  128.150   8.6272  2553.38  335.483  2419.24  434.375  2751.69  528.140  123.789   11.633  131.419   13.352 -7.630478 17.70883 
1 1 1   21    4   13 o   68.978   4.6348  732.471   97.012  677.476  119.754  837.465  165.467   66.126   5.9987   73.299   7.5017 -7.173958 9.605146 
1 1 1   21    4   14 o  145.802   5.1703  3261.94  230.090  2829.79  574.262  3344.59  251.130  132.714   14.408  147.573   5.5754 -14.85928 15.44935 
1 1 1   21    4   15 o   89.150   4.6044  1221.51  124.862  1157.84  175.810  1286.31  177.364   86.442   6.7162   91.197   6.4127 -4.754684 9.286019 
1 1 1   21    4   16 o  130.536   4.2570  2610.60  169.612  2191.95  246.402  2987.60  233.826  119.065   6.8085  139.464   5.4930 -20.39963 8.748076 
1 1 1   21    4   17 o  179.428   6.2645  4955.85  343.081  4893.04  367.892  5374.90  950.298  178.160   6.7654  181.033   17.413 -2.873154 18.68120 
1 1 1   21    4   18 o  149.386   10.983  3516.27  497.281  3462.38  629.190  3605.95  811.681  146.691   14.232  147.237   18.468 -0.5457306 23.31527 
1 1 1   21    5    0 o   33.032   11.973  223.577  110.856  223.577  110.856  223.577  110.856   33.032   11.973   33.032   11.973 0.000000 0.000000 
1 1 1   21    5    1 o  102.596   3.8818  1610.58  121.557  1445.58  171.415  1777.49  172.405   96.868   5.8247  107.664   5.2464 -10.79608 7.839097 
1 1 1   21    5    2 o  105.907   3.8783  1716.22  125.367  1671.48  171.633  1767.40  183.559  104.250   5.4126  107.173   5.6311 -2.923485 7.810645 
1 1 1   21    5    3 o  233.248   4.2993  8329.74  306.081  8232.81  376.666  8518.19  525.180  231.687   5.3264  235.152   7.3172 -3.464920 9.050525 
1 1 1   21    5    4 o  179.143   6.0244  4929.08  329.404   0.0000   0.0000  4929.08  329.404  ?   ?   179.143   6.0244 0.000000 6.024381 
1 1 1   21    5    5 o  239.641   4.9354  8802.24  360.995  7870.86  960.929  8955.29  389.527  222.716   14.210  241.639   5.2814 -18.92319 15.15974 
1 1 1   21    5    6 o  160.598   5.4877  3957.52  268.997  3911.26  280.931  4467.54  932.819  159.611   5.7666  165.015   18.859 -5.403824 19.72132 
1 1 1   21    5    7 o  272.865   7.0040 11464.82  583.327 11464.82  583.327   0.0000   0.0000  272.865   7.0040  ?   ?  0.000000 7.004025 
1 1 1   21    5    8 o  108.492   3.7172  1800.94  123.091  1664.54  159.126  2004.18  194.230  104.194   5.0036  114.268   5.5690 -10.07371 7.486580 
1 1 1   21    5    9 o  255.202   6.3609 10015.39  495.469  8862.39  940.584 10458.20  582.898  236.861   13.061  260.457   7.3323 -23.59659 14.97821 
1 1 1   21    5   10 o   44.783   15.235  300.685  249.066  300.685  249.066   0.0000   0.0000   44.783   15.235  ?   ?  0.000000 15.23520 
1 1 1   21    5   11 o  221.318   5.7431  7523.71  387.955  7224.81  437.755  8617.77  837.500  216.647   6.6200  234.491   11.702 -17.84346 13.44434 
1 1 1   21    5   12 o  108.424   10.548  1850.24  344.639  1680.79  491.651  2013.95  483.244  101.118   16.499  111.721   14.514 -10.60316 21.97452 
1 1 1   21    5   13 o  196.336   3.9315  5901.56  235.598  5439.65  296.320  6695.37  388.453  188.281   5.1563  208.658   6.0994 -20.37772 7.986845 
1 1 1   21    5   14 o   46.613   16.831  306.263  306.938  296.184  439.852  315.830  428.523   50.497   19.722   50.748   19.565 -0.2512817 27.78018 
1 1 1   21    5   15 o  134.587   5.7031  2783.80  234.279  2769.92  244.736  2935.93  810.104  134.205   5.9747  131.469   20.887 2.736099 21.72463 
1 1 1   21    5   16 o  158.422   5.7605  3858.39  278.544  3882.43  293.854  3645.50  874.345  158.852   6.0607  147.193   19.978 11.65936 20.87690 
1 1 1   21    5   17 o  250.005   5.0926  9595.03  388.600  8933.39  551.132 10249.20  548.009  240.402   7.5111  257.727   6.9664 -17.32561 10.24436 
1 1 1   21    6    0 o   28.210   11.531  171.596   97.781  171.596   97.781  171.596   97.781   28.210   11.531   28.210   11.531 0.000000 0.000000 
1 1 1   21    6    1 o   70.338   5.7943  764.719  123.289  721.578  129.466  1184.73  403.959   68.233   6.2872   84.858   16.187 -16.62509 17.36537 
1 1 1   21    6    2 o  279.459   11.195 12192.59  954.900 12003.40  1599.21 12297.41  1190.41  270.623   19.491  278.553   14.047 -7.929962 24.02542 
1 1 1   21    6    3 o  187.863   5.7853  5419.29  331.729  4893.32  951.896  5492.00  353.916  173.015   18.304  189.047   6.1336 -16.03261 19.30388 
1 1 1   21    6    4 o  164.808   8.8524  4217.09  443.673  3912.55  658.218  4470.66  600.627  156.779   13.899  168.632   11.743 -11.85316 18.19556 
1 1 1   21    6    5 o   81.510   4.8055  1021.81  119.025  995.966  122.340  1479.49  514.859   80.442   5.0075   94.069   18.591 -13.62655 19.25357 
1 1 1   21    6    6 o  237.407   9.4888  8748.31  687.575  8229.63  847.677  9745.92  1175.61  228.723   12.186  246.580   15.702 -17.85684 19.87606 
1 1 1   21    6    7 o   59.882   3.6106  550.589   65.683  485.871   71.234  917.985  169.724   56.176   4.1845   76.824   7.3270 -20.64819 8.437673 
1 1 1   21    6    8 o   84.654   5.3486  1104.06  137.487  1111.88  140.344  917.870  684.861   84.940   5.4420   74.118   25.263 10.82183 25.84266 
1 1 1   21    6    9 o   50.237   4.0297  388.850   61.269  385.484   70.638  399.073  123.114   49.933   4.6898   50.151   8.3354 -0.2185783 9.564182 
1 1 1   21    6   10 o   54.962   22.802  233.100  627.974  233.100  627.974   0.0000   0.0000   54.962   22.802  ?   ?  0.000000 22.80175 
1 1 1   21    6   11 o   43.415   11.430  305.982  153.537  305.982  153.537   0.0000   0.0000   43.415   11.430  ?   ?  0.000000 11.42979 
1 1 1   21    6   12 o  140.970   9.8109  3108.09  419.505  2763.60  560.516  3546.79  632.530  131.137   14.232  148.792   14.096 -17.65520 20.03128 
1 1 1   21    6   13 o   65.877   5.6305  671.586  112.127  663.126  114.590  862.075  543.758   65.431   5.7979   71.063   22.424 -5.632072 23.16174 
1 1 1   21    6   14 o  104.919   12.311  1756.92  386.749  1695.40  495.549  1852.78  618.577  101.293   16.604  104.235   20.172 -2.941811 26.12679 
1 1 1   21    6   15 o   22.294   9.7807 -28.1328  127.709 -59.5863  131.489  495.365  536.430   21.429   9.6304   58.911   22.079 -37.48142 24.08808 
1 1 1   21    6   16 o   78.041   4.4183  936.594  104.810  1065.53  131.925  715.944  172.583   83.135   5.2256   67.408   8.5829 15.72723 10.04854 
1 1 1   21    7    0 o   72.649   5.4215  821.886  118.680  821.886  118.680  821.886  118.680   72.649   5.4215   72.649   5.4215 0.000000 0.000000 
1 1 1   21    7    1 o  259.788   10.443 10517.00  828.063 10657.81  1035.64 10267.43  1378.78  259.686   13.108  251.003   18.119 8.683487 22.36330 
1 1 1   21    7    2 o   85.346   10.760  1153.15  274.073  1218.24  355.517  1057.81  430.298   86.776   13.891   79.325   18.164 7.451180 22.86671 
1 1 1   21    7    3 o  179.426   4.3829  4931.52  240.029  5137.76  349.379  4747.16  330.327  182.784   6.2624  175.721   6.1589 7.063568 8.783496 
1 1 1   21    7    4 o  103.481   4.0793  1639.56  128.846  1504.30  619.869  1645.67  131.723   93.249   22.114  103.667   4.1630 -10.41821 22.50262 
1 1 1   21    7    5 o  166.837   3.2612  4256.80  166.067  4163.25  206.859  4426.40  278.523  164.891   4.1102  169.822   5.3734 -4.930771 6.765140 
1 1 1   21    7    6 o  163.697   4.7747  4108.14  238.562  4117.72  264.059  4065.61  556.467  163.804   5.2815  160.762   11.415 3.042374 12.57752 
1 1 1   21    7    7 o  102.870   4.0702  1620.39  127.798  1527.72  160.378  1781.59  211.526   99.632   5.2929  107.399   6.4831 -7.767433 8.369318 
1 1 1   21    7    8 o   32.432   4.8744  164.844   46.759  164.844   46.759   0.0000   0.0000   32.432   4.8744  ?   ?  0.000000 4.874434 
1 1 1   21    7    9 o   62.094   5.9924  598.196  112.160  599.719  115.989  576.272  440.187   62.138   6.1984   60.024   20.255 2.113747 21.18194 
1 1 1   21    7   10 f   53.185   16.120  461.536  284.339  587.691  432.340  365.377  377.457   60.298   20.072   50.928   18.623 9.370403 27.38063 
1 1 1   21    7   11 o   20.824   8.3480   32.735   80.735 -224.6866  138.006  166.673   99.547   17.404   8.4287   32.420   9.4683 -15.01616 12.67644 
1 1 1   21    7   12 o  103.276   4.3027  1634.40  135.630  1684.88  668.123  1632.23  138.514   97.957   22.777  103.199   4.3975 -5.241066 23.19790 
1 1 1   21    7   13 o  114.417   3.4226  2003.15  119.525  1817.25  153.276  2291.61  190.927  108.862   4.6130  122.180   5.1198 -13.31786 6.891430 
1 1 1   21    7   14 o   96.970   5.9777  1452.19  176.063  1476.32  181.799  1087.75  706.472   97.747   6.1245   78.432   25.637 19.31487 26.35828 
1 1 1   21    8    0 o  246.358   5.4120  9313.35  406.509  9313.35  406.509  9313.35  406.509  246.358   5.4120  246.358   5.4120 0.000000 0.000000 
1 1 1   21    8    1 o  168.145   8.0621  4372.44  413.760  4451.53  583.992  4292.72  586.304  168.181   11.445  165.022   11.716 3.159515 16.37850 
1 1 1   21    8    2 o  139.089   10.774  3039.70  453.840  2741.94  707.851  3247.54  591.389  128.507   18.587  142.535   13.765 -14.02771 23.12868 
1 1 1   21    8    3 o  286.603   8.5219 12724.33  745.482   0.0000   0.0000 12724.33  745.482  ?   ?   286.603   8.5219 0.000000 8.521950 
1 1 1   21    8    4 o  137.035   5.0790  2881.24  212.435  2780.86  412.576  2917.45  247.809  133.177   10.228  137.766   5.8933 -4.588562 11.80429 
1 1 1   21    8    5 o   35.487   5.7172  198.310   59.823  192.516   60.903  357.288  319.033   34.915   5.9268   49.077   17.218 -14.16203 18.20982 
1 1 1   21    8    6 f   42.660   5.8312  284.821   73.939  241.104  129.387  306.021   90.101   38.675   10.631   44.038   6.9323 -5.363930 12.69181 
1 1 1   21    8    7 o  156.841   5.9478  3782.65  284.729  3644.32  622.990  3819.17  320.119  150.988   13.666  157.446   6.6614 -6.457184 15.20341 
1 1 1   21    8    8 o  139.088   6.2192  2977.19  264.021  3300.96  582.123  2893.34  296.242  143.727   13.425  136.759   7.1216 6.968109 15.19705 
1 1 1   21    8    9 o  103.118   4.3641  1629.59  137.356  1640.79  145.094  1532.85  426.323  103.448   4.5952   96.924   14.887 6.524620 15.58006 
1 1 1   21    8   10 o  193.840   8.5457  5828.18  505.604  5772.79  715.979  5883.28  714.088  190.891   12.355  192.805   12.197 -1.913116 17.36118 
1 1 1   21    8   11 o   55.874   9.6933  499.734  159.317  554.475  172.886  191.490  410.250   58.851   9.9814   46.168   18.709 12.68245 21.20464 
1 1 1   21    8   12 o  153.383   6.3773  3624.33  298.559  3624.33  298.559   0.0000   0.0000  153.383   6.3773  ?   ?  0.000000 6.377289 
1 1 1   21    9    0 o  160.688   5.7043  3974.22  278.972  3974.22  278.972  3974.22  278.972  160.688   5.7043  160.688   5.7043 0.000000 0.000000 
1 1 1   21    9    1 o   89.641   8.4635  1256.09  228.825  1207.79  351.843  1291.49  301.234   86.225   13.837   90.131   11.191 -3.905396 17.79596 
1 1 1   21    9    2 o  166.570   4.9954  4257.56  253.971  4171.31  819.705  4266.72  267.115  159.540   17.100  166.702   5.2498 -7.162292 17.88763 
1 1 1   21    9    3 f   93.831   5.1339  1355.41  146.473  1263.69  210.384  1441.68  204.049   90.087   7.7261   96.432   6.9798 -6.345840 10.41198 
1 1 1   21    9    4 o   25.595   6.5453  104.769   51.335   99.966   52.081  268.869  304.448   25.037   6.6883   44.945   16.675 -19.90765 17.96630 
1 1 1   21    9    5 o  191.151   5.5657  5614.95  324.723  4896.61  702.900  5809.85  366.136  175.277   13.236  194.286   6.1742 -19.00951 14.60550 
1 1 1   21    9    6 o  173.814   8.6102  4687.85  456.788  4407.27  659.083  4947.19  633.657  166.292   13.091  176.926   11.802 -10.63426 17.62551 
1 1 1   21    9    7 o  151.820   4.6336  3534.85  214.714  3555.11  285.211  3508.34  326.203  151.973   6.1487  150.757   7.0891 1.215424 9.384157 
1 1 1   21    9    8 o   70.318   18.278  842.063  395.918  874.596  452.219  735.268  819.334   71.304   19.979   70.137   27.049 1.166451 33.62769 
1 1 1   21    9    9 f   48.398   10.674  380.632  153.435  400.781  169.124  286.891  364.782   49.550   11.417   47.554   18.120 1.995522 21.41702 
1 1 1   21   10    0 o   75.196   12.264  946.116  258.997  946.116  258.997  946.116  258.997   75.196   12.264   75.196   12.264 0.000000 0.000000 
1 1 1   21   10    1 o  118.274   3.8506  2142.28  139.007  2102.07  150.398  2377.95  364.112  117.120   4.2072  123.093   9.7717 -5.973473 10.63896 
1 1 1   21   10    2 o  147.981   3.9178  3354.00  176.957  3144.40  269.151  3513.58  234.851  142.902   6.1708  151.274   5.0864 -8.371857 7.996893 
1 1 1   21   10    3 o  111.535   7.2653  1930.00  245.984  1930.68  337.376  1929.23  359.415  110.726   10.094  110.440   10.801 0.2865219 14.78290 
1 1 1   22    0    2 o   91.108   6.8520  1297.17  188.063  1297.17  188.063  1297.17  188.063   91.108   6.8520   91.108   6.8520 0.000000 0.000000 
1 1 1   22    0    3 o  244.229   13.575  9445.66  1004.76  9445.66  1004.76  9445.66  1004.76  244.229   13.575  244.229   13.575 0.000000 0.000000 
1 1 1   22    0    4 o  251.703   5.5810  9730.13  428.284  9730.13  428.284  9730.13  428.284  251.703   5.5810  251.703   5.5810 0.000000 0.000000 
1 1 1   22    1    0 o  180.290   19.590  5412.94  1045.75  5412.94  1045.75  5412.94  1045.75  180.290   19.590  180.290   19.590 0.000000 0.000000 
1 1 1   22    1    1 o  164.689   4.5304  4157.76  227.730  4157.76  227.730   0.0000   0.0000  164.689   4.5304  ?   ?  0.000000 4.530427 
1 1 1   22    1    2 o  122.256   5.6047  2296.72  209.143  2296.72  209.143   0.0000   0.0000  122.256   5.6047  ?   ?  0.000000 5.604731 
1 1 1   22    1    3 o   60.102   18.180  601.112  361.934  590.177  449.803  621.194  609.572   60.535   20.475   64.063   23.629 -3.527847 31.26583 
1 1 1   22    1    4 o  196.024   5.9459  5910.01  355.747  5848.86  1008.37  5918.70  380.194  188.673   17.718  196.061   6.3533 -7.388031 18.82255 
1 1 1   22    2    0 o  119.660   5.8616  2212.54  212.912  2212.54  212.912  2212.54  212.912  119.660   5.8616  119.660   5.8616 0.000000 0.000000 
1 1 1   22    2    1 o  130.925   3.4680  2622.92  138.585  2738.49  237.365  2563.16  170.701  133.457   5.8272  129.330   4.3243 4.126556 7.256453 
1 1 1   22    2    2 o   88.658   16.932  1310.58  441.490  1311.21  580.438  1309.71  680.048   86.604   21.935   85.616   24.674 0.9880447 33.01391 
#END OF REFLECTIONS
